NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624876 | 5xee | 36071 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 14.557 -6.532 -4.250 2 H2 ALA 1 2H ALA 1 13.735 -7.979 -4.527 3 H3 ALA 1 3H ALA 1 12.901 -6.510 -4.562 4 HA ALA 1 HA ALA 1 15.020 -7.315 -6.445 5 HB1 ALA 1 1HB ALA 1 12.963 -8.626 -6.785 6 HB2 ALA 1 2HB ALA 1 13.195 -7.495 -8.120 7 HB3 ALA 1 3HB ALA 1 12.008 -7.144 -6.856 8 H GLU 2 H GLU 2 16.126 -5.449 -6.815 9 HA GLU 2 HA GLU 2 14.766 -2.864 -7.111 10 HB2 GLU 2 2HB GLU 2 17.733 -3.568 -7.356 11 HB3 GLU 2 1HB GLU 2 17.060 -1.939 -7.396 12 HG2 GLU 2 2HG GLU 2 16.229 -2.268 -5.055 13 HG3 GLU 2 1HG GLU 2 17.015 -3.846 -5.037 14 H GLN 3 H GLN 3 13.998 -2.285 -9.039 15 HA GLN 3 HA GLN 3 14.496 -3.777 -11.449 16 HB2 GLN 3 2HB GLN 3 12.259 -2.872 -10.924 17 HB3 GLN 3 1HB GLN 3 12.890 -1.232 -10.951 18 HG2 GLN 3 2HG GLN 3 11.649 -1.708 -12.989 19 HG3 GLN 3 1HG GLN 3 13.348 -1.427 -13.352 20 HE21 GLN 3 1HE2 GLN 3 13.067 -2.470 -15.350 21 HE22 GLN 3 2HE2 GLN 3 12.933 -4.185 -15.483 22 H SER 4 H SER 4 16.007 -3.352 -12.958 23 HA SER 4 HA SER 4 18.014 -1.377 -12.650 24 HB2 SER 4 2HB SER 4 18.800 -2.228 -14.905 25 HB3 SER 4 1HB SER 4 18.567 -3.478 -13.683 26 HG SER 4 HG SER 4 17.482 -3.360 -16.075 27 H ASP 5 H ASP 5 15.156 -1.565 -14.728 28 HA ASP 5 HA ASP 5 15.567 0.993 -16.005 29 HB2 ASP 5 2HB ASP 5 14.212 -0.843 -17.039 30 HB3 ASP 5 1HB ASP 5 13.027 -0.698 -15.748 31 H LYS 6 H LYS 6 15.173 2.944 -15.049 32 HA LYS 6 HA LYS 6 13.972 2.998 -12.376 33 HB2 LYS 6 2HB LYS 6 15.571 5.096 -13.895 34 HB3 LYS 6 1HB LYS 6 14.885 5.344 -12.290 35 HG2 LYS 6 2HG LYS 6 16.244 3.410 -11.456 36 HG3 LYS 6 1HG LYS 6 16.998 3.303 -13.050 37 HD2 LYS 6 2HD LYS 6 18.452 4.524 -11.495 38 HD3 LYS 6 1HD LYS 6 17.893 5.601 -12.776 39 HE2 LYS 6 2HE LYS 6 16.214 6.560 -11.242 40 HE3 LYS 6 1HE LYS 6 16.732 5.451 -9.971 41 HZ1 LYS 6 1HZ LYS 6 18.442 7.533 -11.226 42 HZ2 LYS 6 2HZ LYS 6 18.899 6.490 -9.979 43 HZ3 LYS 6 3HZ LYS 6 17.702 7.650 -9.709 44 H ASP 7 H ASP 7 12.009 2.436 -13.878 45 HA ASP 7 HA ASP 7 10.186 4.625 -13.479 46 HB2 ASP 7 2HB ASP 7 10.875 5.175 -15.774 47 HB3 ASP 7 1HB ASP 7 10.589 3.523 -16.307 48 H VAL 8 H VAL 8 8.565 3.674 -12.461 49 HA VAL 8 HA VAL 8 7.112 2.226 -11.578 50 HB VAL 8 HB VAL 8 7.272 0.701 -14.215 51 HG11 VAL 8 1HG1 VAL 8 6.288 -0.699 -12.455 52 HG12 VAL 8 2HG1 VAL 8 5.041 -0.206 -13.600 53 HG13 VAL 8 3HG1 VAL 8 5.157 0.589 -12.028 54 HG21 VAL 8 1HG2 VAL 8 5.332 2.886 -13.351 55 HG22 VAL 8 2HG2 VAL 8 5.232 1.958 -14.850 56 HG23 VAL 8 3HG2 VAL 8 6.597 3.043 -14.575 57 H LYS 9 H LYS 9 8.216 1.445 -9.908 58 HA LYS 9 HA LYS 9 10.432 -0.411 -10.188 59 HB2 LYS 9 2HB LYS 9 9.207 0.937 -7.749 60 HB3 LYS 9 1HB LYS 9 10.679 -0.033 -7.733 61 HG2 LYS 9 2HG LYS 9 11.800 1.600 -9.193 62 HG3 LYS 9 1HG LYS 9 10.316 2.557 -9.280 63 HD2 LYS 9 2HD LYS 9 11.985 3.484 -7.668 64 HD3 LYS 9 1HD LYS 9 10.443 3.082 -6.910 65 HE2 LYS 9 2HE LYS 9 12.425 2.423 -5.540 66 HE3 LYS 9 1HE LYS 9 11.400 1.047 -5.953 67 HZ1 LYS 9 1HZ LYS 9 12.963 0.490 -7.729 68 HZ2 LYS 9 2HZ LYS 9 13.733 0.526 -6.228 69 HZ3 LYS 9 3HZ LYS 9 13.936 1.805 -7.310 70 H TYR 10 H TYR 10 10.362 -2.537 -9.742 71 HA TYR 10 HA TYR 10 7.894 -3.845 -8.988 72 HB2 TYR 10 2HB TYR 10 10.656 -4.939 -9.679 73 HB3 TYR 10 1HB TYR 10 9.295 -5.961 -9.226 74 HD1 TYR 10 HD1 TYR 10 8.034 -6.890 -10.986 75 HD2 TYR 10 HD2 TYR 10 10.068 -3.195 -11.675 76 HE1 TYR 10 HE1 TYR 10 7.285 -6.907 -13.330 77 HE2 TYR 10 HE2 TYR 10 9.320 -3.215 -14.008 78 HH TYR 10 HH TYR 10 6.870 -5.052 -15.136 79 H TYR 11 H TYR 11 7.544 -3.105 -6.893 80 HA TYR 11 HA TYR 11 9.390 -3.701 -4.721 81 HB2 TYR 11 2HB TYR 11 6.481 -2.782 -4.789 82 HB3 TYR 11 1HB TYR 11 7.258 -3.252 -3.280 83 HD1 TYR 11 HD1 TYR 11 7.741 -0.907 -6.191 84 HD2 TYR 11 HD2 TYR 11 8.364 -1.605 -2.017 85 HE1 TYR 11 HE1 TYR 11 8.648 1.356 -5.948 86 HE2 TYR 11 HE2 TYR 11 9.275 0.663 -1.778 87 HH TYR 11 HH TYR 11 10.292 2.379 -3.110 88 H THR 12 H THR 12 9.214 -5.463 -3.314 89 HA THR 12 HA THR 12 7.496 -7.702 -4.244 90 HB THR 12 HB THR 12 8.974 -9.195 -2.949 91 HG1 THR 12 HG1 THR 12 10.505 -8.477 -1.668 92 HG21 THR 12 1HG2 THR 12 10.584 -7.371 -4.771 93 HG22 THR 12 2HG2 THR 12 9.595 -8.735 -5.299 94 HG23 THR 12 3HG2 THR 12 11.025 -9.014 -4.304 95 H LEU 13 H LEU 13 6.163 -8.736 -2.724 96 HA LEU 13 HA LEU 13 5.108 -7.034 -0.668 97 HB2 LEU 13 2HB LEU 13 3.859 -8.698 -2.277 98 HB3 LEU 13 1HB LEU 13 4.270 -9.922 -1.090 99 HG LEU 13 HG LEU 13 2.903 -8.838 0.612 100 HD11 LEU 13 1HD1 LEU 13 1.670 -6.740 0.182 101 HD12 LEU 13 2HD1 LEU 13 2.494 -6.568 -1.369 102 HD13 LEU 13 3HD1 LEU 13 3.414 -6.493 0.137 103 HD21 LEU 13 1HD2 LEU 13 0.665 -8.921 -0.439 104 HD22 LEU 13 2HD2 LEU 13 1.679 -10.265 -0.962 105 HD23 LEU 13 3HD2 LEU 13 1.419 -8.892 -2.039 106 H GLU 14 H GLU 14 7.296 -9.704 -0.868 107 HA GLU 14 HA GLU 14 7.648 -10.398 1.830 108 HB2 GLU 14 2HB GLU 14 8.579 -11.537 -0.278 109 HB3 GLU 14 1HB GLU 14 9.807 -10.282 -0.322 110 HG2 GLU 14 2HG GLU 14 10.703 -12.312 0.669 111 HG3 GLU 14 1HG GLU 14 10.647 -11.027 1.876 112 H GLU 15 H GLU 15 8.945 -7.723 -0.128 113 HA GLU 15 HA GLU 15 10.815 -6.645 1.700 114 HB2 GLU 15 2HB GLU 15 10.654 -6.054 -0.738 115 HB3 GLU 15 1HB GLU 15 9.159 -5.195 -0.416 116 HG2 GLU 15 2HG GLU 15 10.868 -3.560 -0.622 117 HG3 GLU 15 1HG GLU 15 10.467 -3.650 1.089 118 H ILE 16 H ILE 16 7.417 -5.865 1.030 119 HA ILE 16 HA ILE 16 7.259 -3.706 2.928 120 HB ILE 16 HB ILE 16 4.860 -5.018 1.570 121 HG12 ILE 16 2HG1 ILE 16 6.609 -2.861 0.286 122 HG13 ILE 16 1HG1 ILE 16 6.670 -4.561 -0.158 123 HG21 ILE 16 1HG2 ILE 16 3.918 -2.728 1.670 124 HG22 ILE 16 2HG2 ILE 16 5.404 -2.145 2.421 125 HG23 ILE 16 3HG2 ILE 16 4.380 -3.301 3.276 126 HD11 ILE 16 1HD1 ILE 16 4.272 -2.747 -0.461 127 HD12 ILE 16 2HD1 ILE 16 4.340 -4.457 -0.900 128 HD13 ILE 16 3HD1 ILE 16 5.354 -3.289 -1.744 129 H GLN 17 H GLN 17 6.914 -7.094 3.148 130 HA GLN 17 HA GLN 17 4.890 -7.598 4.979 131 HB2 GLN 17 2HB GLN 17 6.186 -9.341 3.753 132 HB3 GLN 17 1HB GLN 17 7.594 -8.993 4.746 133 HG2 GLN 17 2HG GLN 17 6.573 -11.029 5.545 134 HG3 GLN 17 1HG GLN 17 6.328 -9.775 6.757 135 HE21 GLN 17 1HE2 GLN 17 4.787 -11.814 4.388 136 HE22 GLN 17 2HE2 GLN 17 3.163 -11.524 4.893 137 H LYS 18 H LYS 18 8.067 -6.229 5.562 138 HA LYS 18 HA LYS 18 7.852 -6.408 8.488 139 HB2 LYS 18 2HB LYS 18 10.118 -5.384 6.727 140 HB3 LYS 18 1HB LYS 18 10.202 -5.634 8.471 141 HG2 LYS 18 2HG LYS 18 9.870 -8.070 8.123 142 HG3 LYS 18 1HG LYS 18 9.828 -7.806 6.377 143 HD2 LYS 18 2HD LYS 18 12.190 -7.249 8.220 144 HD3 LYS 18 1HD LYS 18 12.052 -8.593 7.083 145 HE2 LYS 18 2HE LYS 18 11.966 -6.955 5.202 146 HE3 LYS 18 1HE LYS 18 12.185 -5.641 6.362 147 HZ1 LYS 18 1HZ LYS 18 14.114 -7.838 5.841 148 HZ2 LYS 18 2HZ LYS 18 14.328 -6.600 6.967 149 HZ3 LYS 18 3HZ LYS 18 14.262 -6.241 5.320 150 H HIS 19 H HIS 19 5.967 -4.731 7.243 151 HA HIS 19 HA HIS 19 6.595 -1.965 7.171 152 HB2 HIS 19 2HB HIS 19 4.022 -1.716 7.340 153 HB3 HIS 19 1HB HIS 19 4.630 -2.677 5.997 154 HD1 HIS 19 HD1 HIS 19 4.217 -5.264 6.097 155 HD2 HIS 19 HD2 HIS 19 2.433 -3.148 9.192 156 HE1 HIS 19 HE1 HIS 19 2.681 -6.891 7.235 157 HE2 HIS 19 HE2 HIS 19 1.450 -5.512 8.942 158 H LYS 20 H LYS 20 7.855 -1.616 9.095 159 HA LYS 20 HA LYS 20 6.484 -1.765 11.708 160 HB2 LYS 20 2HB LYS 20 8.811 -2.699 11.452 161 HB3 LYS 20 1HB LYS 20 9.396 -1.086 11.083 162 HG2 LYS 20 2HG LYS 20 9.908 -1.635 13.401 163 HG3 LYS 20 1HG LYS 20 8.723 -0.328 13.353 164 HD2 LYS 20 2HD LYS 20 8.154 -1.957 15.102 165 HD3 LYS 20 1HD LYS 20 6.914 -1.944 13.849 166 HE2 LYS 20 2HE LYS 20 8.038 -3.985 12.855 167 HE3 LYS 20 1HE LYS 20 9.082 -4.026 14.277 168 HZ1 LYS 20 1HZ LYS 20 7.085 -4.219 15.652 169 HZ2 LYS 20 2HZ LYS 20 7.234 -5.501 14.567 170 HZ3 LYS 20 3HZ LYS 20 6.121 -4.266 14.262 171 H ASP 21 H ASP 21 8.246 0.543 9.656 172 HA ASP 21 HA ASP 21 7.197 2.832 11.217 173 HB2 ASP 21 2HB ASP 21 9.435 2.723 9.146 174 HB3 ASP 21 1HB ASP 21 8.940 4.165 10.026 175 H SER 22 H SER 22 6.724 4.781 9.877 176 HA SER 22 HA SER 22 4.563 4.350 8.111 177 HB2 SER 22 2HB SER 22 6.140 6.941 8.446 178 HB3 SER 22 1HB SER 22 4.440 6.768 7.990 179 HG SER 22 HG SER 22 4.120 7.000 10.052 180 H LYS 23 H LYS 23 7.965 5.100 7.613 181 HA LYS 23 HA LYS 23 7.772 5.638 4.811 182 HB2 LYS 23 2HB LYS 23 10.343 5.494 4.924 183 HB3 LYS 23 1HB LYS 23 9.543 6.763 5.834 184 HG2 LYS 23 2HG LYS 23 11.290 5.936 7.213 185 HG3 LYS 23 1HG LYS 23 9.784 5.343 7.902 186 HD2 LYS 23 2HD LYS 23 11.479 3.596 7.977 187 HD3 LYS 23 1HD LYS 23 10.195 3.128 6.861 188 HE2 LYS 23 2HE LYS 23 11.671 3.924 4.968 189 HE3 LYS 23 1HE LYS 23 12.957 4.176 6.151 190 HZ1 LYS 23 1HZ LYS 23 12.893 1.839 6.697 191 HZ2 LYS 23 2HZ LYS 23 13.130 2.026 5.036 192 HZ3 LYS 23 3HZ LYS 23 11.612 1.581 5.624 193 H SER 24 H SER 24 7.873 2.778 6.614 194 HA SER 24 HA SER 24 8.568 1.079 4.292 195 HB2 SER 24 2HB SER 24 8.126 0.348 7.228 196 HB3 SER 24 1HB SER 24 8.740 -0.728 5.967 197 HG SER 24 HG SER 24 10.545 0.005 6.850 198 H THR 25 H THR 25 5.924 2.636 4.804 199 HA THR 25 HA THR 25 4.014 0.378 5.002 200 HB THR 25 HB THR 25 3.535 3.362 5.429 201 HG1 THR 25 HG1 THR 25 4.702 1.932 7.063 202 HG21 THR 25 1HG2 THR 25 1.290 2.753 6.238 203 HG22 THR 25 2HG2 THR 25 1.601 1.056 5.881 204 HG23 THR 25 3HG2 THR 25 1.489 2.224 4.567 205 H TRP 26 H TRP 26 3.809 -0.338 2.973 206 HA TRP 26 HA TRP 26 2.646 1.442 0.927 207 HB2 TRP 26 2HB TRP 26 4.569 -0.881 0.369 208 HB3 TRP 26 1HB TRP 26 3.794 0.128 -0.848 209 HD1 TRP 26 HD TRP 26 4.555 2.885 -0.621 210 HE1 TRP 26 HE1 TRP 26 6.915 3.810 -0.266 211 HE3 TRP 26 HE3 TRP 26 6.759 -1.292 1.349 212 HZ2 TRP 26 HZ2 TRP 26 9.399 2.897 0.710 213 HZ3 TRP 26 HZ3 TRP 26 9.140 -1.180 1.970 214 HH2 TRP 26 HH TRP 26 10.432 0.875 1.659 215 H VAL 27 H VAL 27 1.120 0.314 -0.419 216 HA VAL 27 HA VAL 27 0.003 -2.201 0.710 217 HB VAL 27 HB VAL 27 -2.289 -1.245 0.309 218 HG11 VAL 27 1HG1 VAL 27 -0.639 0.313 2.325 219 HG12 VAL 27 2HG1 VAL 27 -1.418 -1.249 2.589 220 HG13 VAL 27 3HG1 VAL 27 -2.402 0.189 2.314 221 HG21 VAL 27 1HG2 VAL 27 -0.807 1.382 -0.129 222 HG22 VAL 27 2HG2 VAL 27 -2.557 1.208 0.018 223 HG23 VAL 27 3HG2 VAL 27 -1.715 0.476 -1.347 224 H ILE 28 H ILE 28 -1.398 -3.360 -0.875 225 HA ILE 28 HA ILE 28 -0.723 -2.729 -3.691 226 HB ILE 28 HB ILE 28 -0.137 -5.008 -4.216 227 HG12 ILE 28 2HG1 ILE 28 0.208 -6.603 -1.995 228 HG13 ILE 28 1HG1 ILE 28 -1.223 -5.715 -1.493 229 HG21 ILE 28 1HG2 ILE 28 1.924 -5.273 -2.837 230 HG22 ILE 28 2HG2 ILE 28 1.312 -4.058 -1.723 231 HG23 ILE 28 3HG2 ILE 28 1.673 -3.621 -3.395 232 HD11 ILE 28 1HD1 ILE 28 -0.963 -7.377 -3.999 233 HD12 ILE 28 2HD1 ILE 28 -2.419 -6.533 -3.462 234 HD13 ILE 28 3HD1 ILE 28 -1.764 -7.861 -2.504 235 H LEU 29 H LEU 29 -2.338 -2.847 -5.072 236 HA LEU 29 HA LEU 29 -5.008 -3.053 -4.121 237 HB2 LEU 29 2HB LEU 29 -3.720 -1.848 -6.318 238 HB3 LEU 29 1HB LEU 29 -4.730 -3.059 -7.067 239 HG LEU 29 HG LEU 29 -5.863 -0.898 -7.008 240 HD11 LEU 29 1HD1 LEU 29 -7.274 -2.883 -6.874 241 HD12 LEU 29 2HD1 LEU 29 -7.992 -1.540 -5.990 242 HD13 LEU 29 3HD1 LEU 29 -7.192 -2.846 -5.111 243 HD21 LEU 29 1HD2 LEU 29 -6.512 0.212 -4.911 244 HD22 LEU 29 2HD2 LEU 29 -4.760 0.091 -5.050 245 HD23 LEU 29 3HD2 LEU 29 -5.633 -1.007 -3.980 246 H HIS 30 H HIS 30 -2.935 -5.102 -6.056 247 HA HIS 30 HA HIS 30 -4.060 -7.534 -5.252 248 HB2 HIS 30 2HB HIS 30 -5.945 -6.836 -6.791 249 HB3 HIS 30 1HB HIS 30 -4.811 -6.834 -8.138 250 HD1 HIS 30 HD1 HIS 30 -5.349 -8.849 -9.503 251 HD2 HIS 30 HD2 HIS 30 -5.529 -9.674 -5.435 252 HE1 HIS 30 HE1 HIS 30 -5.857 -11.303 -9.336 253 HE2 HIS 30 HE2 HIS 30 -6.202 -11.698 -6.879 254 H HIS 31 H HIS 31 -2.458 -5.868 -7.917 255 HA HIS 31 HA HIS 31 -0.176 -7.727 -7.856 256 HB2 HIS 31 2HB HIS 31 -1.545 -8.604 -9.643 257 HB3 HIS 31 1HB HIS 31 -1.852 -7.005 -10.296 258 HD1 HIS 31 HD1 HIS 31 1.693 -8.098 -9.531 259 HD2 HIS 31 HD2 HIS 31 -0.843 -7.663 -12.799 260 HE1 HIS 31 HE1 HIS 31 3.150 -8.307 -11.559 261 HE2 HIS 31 HE2 HIS 31 1.591 -8.117 -13.515 262 H LYS 32 H LYS 32 -1.349 -4.514 -7.999 263 HA LYS 32 HA LYS 32 1.330 -3.478 -8.796 264 HB2 LYS 32 2HB LYS 32 -0.592 -2.979 -10.360 265 HB3 LYS 32 1HB LYS 32 -1.379 -2.091 -9.061 266 HG2 LYS 32 2HG LYS 32 0.327 -0.399 -9.065 267 HG3 LYS 32 1HG LYS 32 1.375 -1.358 -10.111 268 HD2 LYS 32 2HD LYS 32 -1.303 -0.150 -10.925 269 HD3 LYS 32 1HD LYS 32 0.281 0.503 -11.338 270 HE2 LYS 32 2HE LYS 32 0.778 -1.643 -12.557 271 HE3 LYS 32 1HE LYS 32 -0.889 -2.142 -12.260 272 HZ1 LYS 32 1HZ LYS 32 -1.627 -0.179 -13.486 273 HZ2 LYS 32 2HZ LYS 32 -0.656 -1.172 -14.443 274 HZ3 LYS 32 3HZ LYS 32 -0.023 0.252 -13.791 275 H VAL 33 H VAL 33 2.184 -1.732 -7.513 276 HA VAL 33 HA VAL 33 1.157 -1.765 -4.733 277 HB VAL 33 HB VAL 33 3.441 -2.804 -5.039 278 HG11 VAL 33 1HG1 VAL 33 4.357 -0.006 -5.784 279 HG12 VAL 33 2HG1 VAL 33 4.330 -1.410 -6.848 280 HG13 VAL 33 3HG1 VAL 33 5.413 -1.383 -5.457 281 HG21 VAL 33 1HG2 VAL 33 2.797 -1.875 -2.861 282 HG22 VAL 33 2HG2 VAL 33 3.419 -0.293 -3.330 283 HG23 VAL 33 3HG2 VAL 33 4.529 -1.655 -3.140 284 H TYR 34 H TYR 34 0.908 0.116 -3.654 285 HA TYR 34 HA TYR 34 1.321 2.679 -5.033 286 HB2 TYR 34 2HB TYR 34 -1.198 1.832 -3.516 287 HB3 TYR 34 1HB TYR 34 -0.900 3.441 -4.178 288 HD1 TYR 34 HD1 TYR 34 -0.467 3.598 -6.750 289 HD2 TYR 34 HD2 TYR 34 -2.273 0.204 -4.887 290 HE1 TYR 34 HE1 TYR 34 -1.424 2.926 -8.906 291 HE2 TYR 34 HE2 TYR 34 -3.228 -0.456 -7.046 292 HH TYR 34 HH TYR 34 -2.361 1.096 -10.018 293 H ASP 35 H ASP 35 1.859 4.341 -3.748 294 HA ASP 35 HA ASP 35 3.265 3.743 -1.373 295 HB2 ASP 35 2HB ASP 35 4.032 5.459 -3.024 296 HB3 ASP 35 1HB ASP 35 2.643 6.458 -2.611 297 H LEU 36 H LEU 36 2.450 3.674 0.601 298 HA LEU 36 HA LEU 36 0.002 5.185 1.263 299 HB2 LEU 36 2HB LEU 36 0.401 2.516 1.595 300 HB3 LEU 36 1HB LEU 36 1.072 3.067 3.112 301 HG LEU 36 HG LEU 36 -1.241 2.424 3.470 302 HD11 LEU 36 1HD1 LEU 36 -1.117 5.444 3.472 303 HD12 LEU 36 2HD1 LEU 36 -0.506 4.379 4.739 304 HD13 LEU 36 3HD1 LEU 36 -2.231 4.429 4.393 305 HD21 LEU 36 1HD2 LEU 36 -2.037 4.389 1.306 306 HD22 LEU 36 2HD2 LEU 36 -3.132 3.427 2.305 307 HD23 LEU 36 3HD2 LEU 36 -2.053 2.635 1.170 308 H THR 37 H THR 37 3.395 4.908 1.759 309 HA THR 37 HA THR 37 4.008 5.812 4.252 310 HB THR 37 HB THR 37 5.362 6.424 1.594 311 HG1 THR 37 HG1 THR 37 5.300 4.222 2.218 312 HG21 THR 37 1HG2 THR 37 7.422 6.963 2.856 313 HG22 THR 37 2HG2 THR 37 6.524 6.857 4.370 314 HG23 THR 37 3HG2 THR 37 6.135 8.120 3.201 315 H LYS 38 H LYS 38 3.172 7.833 1.457 316 HA LYS 38 HA LYS 38 3.302 10.319 2.956 317 HB2 LYS 38 2HB LYS 38 4.033 10.164 0.576 318 HB3 LYS 38 1HB LYS 38 2.395 9.765 0.111 319 HG2 LYS 38 2HG LYS 38 2.770 12.046 -0.462 320 HG3 LYS 38 1HG LYS 38 1.652 12.026 0.897 321 HD2 LYS 38 2HD LYS 38 4.623 12.438 1.358 322 HD3 LYS 38 1HD LYS 38 3.611 13.779 0.829 323 HE2 LYS 38 2HE LYS 38 3.304 12.183 3.393 324 HE3 LYS 38 1HE LYS 38 3.830 13.856 3.246 325 HZ1 LYS 38 1HZ LYS 38 1.599 14.360 2.309 326 HZ2 LYS 38 2HZ LYS 38 1.562 13.828 3.906 327 HZ3 LYS 38 3HZ LYS 38 1.121 12.776 2.663 328 H PHE 39 H PHE 39 0.860 8.172 1.576 329 HA PHE 39 HA PHE 39 -1.389 9.821 1.685 330 HB2 PHE 39 2HB PHE 39 -1.227 7.743 0.349 331 HB3 PHE 39 1HB PHE 39 -1.250 6.776 1.820 332 HD1 PHE 39 HD1 PHE 39 -3.316 5.762 2.318 333 HD2 PHE 39 HD2 PHE 39 -3.337 9.497 0.229 334 HE1 PHE 39 HE1 PHE 39 -5.767 5.673 2.171 335 HE2 PHE 39 HE2 PHE 39 -5.792 9.396 0.093 336 HZ PHE 39 HZ PHE 39 -7.001 7.488 1.058 337 H LEU 40 H LEU 40 0.070 7.904 4.235 338 HA LEU 40 HA LEU 40 -2.183 7.990 6.010 339 HB2 LEU 40 2HB LEU 40 -0.588 7.063 7.698 340 HB3 LEU 40 1HB LEU 40 -0.735 6.141 6.220 341 HG LEU 40 HG LEU 40 1.487 7.368 5.497 342 HD11 LEU 40 1HD1 LEU 40 1.616 8.994 7.311 343 HD12 LEU 40 2HD1 LEU 40 3.015 7.924 7.329 344 HD13 LEU 40 3HD1 LEU 40 1.711 7.693 8.499 345 HD21 LEU 40 1HD2 LEU 40 1.524 5.207 7.614 346 HD22 LEU 40 2HD2 LEU 40 2.852 5.602 6.516 347 HD23 LEU 40 3HD2 LEU 40 1.338 4.967 5.875 348 H GLU 41 H GLU 41 0.489 10.130 5.371 349 HA GLU 41 HA GLU 41 0.316 11.689 7.774 350 HB2 GLU 41 2HB GLU 41 1.549 12.275 5.060 351 HB3 GLU 41 1HB GLU 41 1.705 13.350 6.444 352 HG2 GLU 41 2HG GLU 41 2.687 10.476 6.393 353 HG3 GLU 41 1HG GLU 41 3.693 11.876 6.030 354 H GLU 42 H GLU 42 -1.425 11.662 4.754 355 HA GLU 42 HA GLU 42 -2.756 14.145 4.909 356 HB2 GLU 42 2HB GLU 42 -3.290 11.500 3.574 357 HB3 GLU 42 1HB GLU 42 -4.622 12.629 3.675 358 HG2 GLU 42 2HG GLU 42 -3.359 12.709 1.520 359 HG3 GLU 42 1HG GLU 42 -3.480 14.256 2.352 360 H PHE 43 H PHE 43 -3.172 11.159 6.682 361 HA PHE 43 HA PHE 43 -5.523 12.193 8.139 362 HB2 PHE 43 2HB PHE 43 -4.121 9.534 8.662 363 HB3 PHE 43 1HB PHE 43 -5.782 9.981 9.031 364 HD1 PHE 43 HD1 PHE 43 -3.968 7.897 7.014 365 HD2 PHE 43 HD2 PHE 43 -7.052 10.848 6.684 366 HE1 PHE 43 HE1 PHE 43 -4.661 6.942 4.867 367 HE2 PHE 43 HE2 PHE 43 -7.728 9.878 4.532 368 HZ PHE 43 HZ PHE 43 -6.529 7.939 3.635 369 HA PRO 44 HA PRO 44 -2.320 13.851 11.060 370 HB2 PRO 44 2HB PRO 44 -4.228 14.819 12.903 371 HB3 PRO 44 1HB PRO 44 -3.583 15.733 11.526 372 HG2 PRO 44 2HG PRO 44 -6.153 14.209 11.731 373 HG3 PRO 44 1HG PRO 44 -5.837 15.776 10.953 374 HD2 PRO 44 2HD PRO 44 -6.091 13.545 9.483 375 HD3 PRO 44 1HD PRO 44 -4.900 14.790 9.039 376 H GLY 45 H GLY 45 -1.440 11.934 11.746 377 HA2 GLY 45 2HA GLY 45 -0.827 10.427 13.387 378 HA3 GLY 45 1HA GLY 45 -2.235 10.891 14.330 379 H GLY 46 H GLY 46 -2.631 9.878 11.007 380 HA2 GLY 46 2HA GLY 46 -4.229 7.565 11.943 381 HA3 GLY 46 1HA GLY 46 -4.446 8.435 10.434 382 H GLU 47 H GLU 47 -1.271 7.490 11.552 383 HA GLU 47 HA GLU 47 -0.756 5.793 9.298 384 HB2 GLU 47 2HB GLU 47 0.973 7.197 10.317 385 HB3 GLU 47 1HB GLU 47 0.823 6.334 11.837 386 HG2 GLU 47 2HG GLU 47 1.576 4.743 9.407 387 HG3 GLU 47 1HG GLU 47 2.783 5.831 10.079 388 H GLU 48 H GLU 48 -1.690 5.257 12.626 389 HA GLU 48 HA GLU 48 -0.892 2.497 12.723 390 HB2 GLU 48 2HB GLU 48 -2.275 2.640 14.991 391 HB3 GLU 48 1HB GLU 48 -0.711 3.416 14.821 392 HG2 GLU 48 2HG GLU 48 -2.267 4.865 16.008 393 HG3 GLU 48 1HG GLU 48 -1.775 5.589 14.481 394 H VAL 49 H VAL 49 -3.812 4.073 11.732 395 HA VAL 49 HA VAL 49 -5.656 1.939 12.227 396 HB VAL 49 HB VAL 49 -6.364 4.311 11.991 397 HG11 VAL 49 1HG1 VAL 49 -6.577 5.391 9.791 398 HG12 VAL 49 2HG1 VAL 49 -5.774 4.014 9.033 399 HG13 VAL 49 3HG1 VAL 49 -4.891 5.030 10.173 400 HG21 VAL 49 1HG2 VAL 49 -8.066 2.567 11.705 401 HG22 VAL 49 2HG2 VAL 49 -7.719 2.486 9.976 402 HG23 VAL 49 3HG2 VAL 49 -8.421 3.952 10.666 403 H LEU 50 H LEU 50 -3.359 2.514 9.720 404 HA LEU 50 HA LEU 50 -4.620 0.583 7.848 405 HB2 LEU 50 2HB LEU 50 -3.372 2.009 6.064 406 HB3 LEU 50 1HB LEU 50 -4.846 2.636 6.771 407 HG LEU 50 HG LEU 50 -3.294 3.955 8.403 408 HD11 LEU 50 1HD1 LEU 50 -1.254 3.299 6.269 409 HD12 LEU 50 2HD1 LEU 50 -1.199 2.855 7.974 410 HD13 LEU 50 3HD1 LEU 50 -1.074 4.547 7.506 411 HD21 LEU 50 1HD2 LEU 50 -3.424 4.743 5.481 412 HD22 LEU 50 2HD2 LEU 50 -3.091 5.827 6.834 413 HD23 LEU 50 3HD2 LEU 50 -4.660 5.038 6.706 414 H ARG 51 H ARG 51 -1.901 1.281 9.743 415 HA ARG 51 HA ARG 51 0.290 0.405 8.269 416 HB2 ARG 51 2HB ARG 51 0.427 1.546 10.487 417 HB3 ARG 51 1HB ARG 51 -0.181 0.089 11.268 418 HG2 ARG 51 2HG ARG 51 1.962 -1.016 10.081 419 HG3 ARG 51 1HG ARG 51 2.545 0.648 10.091 420 HD2 ARG 51 2HD ARG 51 1.725 -1.011 12.488 421 HD3 ARG 51 1HD ARG 51 3.368 -0.556 12.045 422 HE ARG 51 HE ARG 51 2.716 1.788 12.515 423 HH11 ARG 51 1HH1 ARG 51 0.758 -0.754 13.969 424 HH12 ARG 51 2HH1 ARG 51 0.218 0.248 15.281 425 HH21 ARG 51 1HH2 ARG 51 2.001 3.079 14.233 426 HH22 ARG 51 2HH2 ARG 51 0.926 2.420 15.429 427 H GLU 52 H GLU 52 -2.011 -1.432 10.231 428 HA GLU 52 HA GLU 52 -0.646 -3.906 10.262 429 HB2 GLU 52 2HB GLU 52 -3.658 -3.521 10.555 430 HB3 GLU 52 1HB GLU 52 -2.687 -4.844 11.193 431 HG2 GLU 52 2HG GLU 52 -2.757 -1.966 12.135 432 HG3 GLU 52 1HG GLU 52 -3.250 -3.406 13.026 433 H GLN 53 H GLN 53 -2.886 -2.469 7.996 434 HA GLN 53 HA GLN 53 -3.354 -4.913 6.468 435 HB2 GLN 53 2HB GLN 53 -4.343 -2.065 6.026 436 HB3 GLN 53 1HB GLN 53 -4.826 -3.460 5.069 437 HG2 GLN 53 2HG GLN 53 -6.601 -3.002 6.585 438 HG3 GLN 53 1HG GLN 53 -5.807 -4.470 7.150 439 HE21 GLN 53 1HE2 GLN 53 -6.577 -4.220 9.261 440 HE22 GLN 53 2HE2 GLN 53 -6.012 -2.982 10.326 441 H ALA 54 H ALA 54 -1.140 -2.289 6.475 442 HA ALA 54 HA ALA 54 -0.389 -2.225 3.729 443 HB1 ALA 54 1HB ALA 54 1.681 -1.137 4.512 444 HB2 ALA 54 2HB ALA 54 1.298 -1.585 6.178 445 HB3 ALA 54 3HB ALA 54 0.267 -0.445 5.312 446 H GLY 55 H GLY 55 1.303 -3.347 2.649 447 HA2 GLY 55 2HA GLY 55 2.541 -5.220 2.101 448 HA3 GLY 55 1HA GLY 55 2.701 -5.569 3.815 449 H GLY 56 H GLY 56 -0.498 -5.126 2.620 450 HA2 GLY 56 2HA GLY 56 -1.013 -7.998 2.223 451 HA3 GLY 56 1HA GLY 56 -1.866 -7.159 3.519 452 H ASP 57 H ASP 57 -3.367 -5.446 2.954 453 HA ASP 57 HA ASP 57 -4.521 -5.833 0.249 454 HB2 ASP 57 2HB ASP 57 -5.933 -6.742 2.100 455 HB3 ASP 57 1HB ASP 57 -5.998 -5.139 2.829 456 H ALA 58 H ALA 58 -5.470 -4.140 -0.811 457 HA ALA 58 HA ALA 58 -5.602 -1.444 0.261 458 HB1 ALA 58 1HB ALA 58 -4.160 -1.930 -2.371 459 HB2 ALA 58 2HB ALA 58 -3.356 -1.557 -0.854 460 HB3 ALA 58 3HB ALA 58 -4.440 -0.375 -1.578 461 H THR 59 H THR 59 -6.860 -4.015 -1.445 462 HA THR 59 HA THR 59 -8.128 -2.867 -3.685 463 HB THR 59 HB THR 59 -9.445 -5.206 -2.263 464 HG1 THR 59 HG1 THR 59 -6.796 -5.170 -3.233 465 HG21 THR 59 1HG2 THR 59 -8.581 -4.833 -5.166 466 HG22 THR 59 2HG2 THR 59 -10.204 -4.477 -4.550 467 HG23 THR 59 3HG2 THR 59 -9.591 -6.134 -4.529 468 H GLU 60 H GLU 60 -9.140 -3.509 -0.388 469 HA GLU 60 HA GLU 60 -11.468 -1.699 -0.656 470 HB2 GLU 60 2HB GLU 60 -10.916 -3.855 1.433 471 HB3 GLU 60 1HB GLU 60 -12.380 -2.876 1.322 472 HG2 GLU 60 2HG GLU 60 -12.838 -3.878 -0.927 473 HG3 GLU 60 1HG GLU 60 -11.417 -4.900 -0.732 474 H ASN 61 H ASN 61 -8.467 -2.361 1.073 475 HA ASN 61 HA ASN 61 -8.882 -0.876 3.416 476 HB2 ASN 61 2HB ASN 61 -7.112 -2.539 3.302 477 HB3 ASN 61 1HB ASN 61 -6.277 -1.634 2.042 478 HD21 ASN 61 1HD2 ASN 61 -4.442 -0.931 2.976 479 HD22 ASN 61 2HD2 ASN 61 -4.330 -0.096 4.478 480 H PHE 62 H PHE 62 -7.265 0.108 0.362 481 HA PHE 62 HA PHE 62 -6.150 2.516 1.278 482 HB2 PHE 62 2HB PHE 62 -5.632 1.261 -0.919 483 HB3 PHE 62 1HB PHE 62 -7.059 2.023 -1.598 484 HD1 PHE 62 HD1 PHE 62 -3.544 2.374 -0.967 485 HD2 PHE 62 HD2 PHE 62 -7.095 4.659 -1.622 486 HE1 PHE 62 HE1 PHE 62 -2.176 4.334 -1.549 487 HE2 PHE 62 HE2 PHE 62 -5.723 6.611 -2.201 488 HZ PHE 62 HZ PHE 62 -3.266 6.452 -2.168 489 H GLU 63 H GLU 63 -9.359 1.744 0.093 490 HA GLU 63 HA GLU 63 -10.278 4.518 0.018 491 HB2 GLU 63 2HB GLU 63 -10.935 2.822 -1.744 492 HB3 GLU 63 1HB GLU 63 -11.839 1.958 -0.508 493 HG2 GLU 63 2HG GLU 63 -13.282 3.964 -0.203 494 HG3 GLU 63 1HG GLU 63 -12.397 4.777 -1.491 495 H ASP 64 H ASP 64 -10.325 1.759 2.127 496 HA ASP 64 HA ASP 64 -12.681 2.331 3.660 497 HB2 ASP 64 2HB ASP 64 -11.866 0.054 3.574 498 HB3 ASP 64 1HB ASP 64 -10.262 0.529 4.106 499 H VAL 65 H VAL 65 -9.223 2.480 4.492 500 HA VAL 65 HA VAL 65 -9.640 4.198 6.796 501 HB VAL 65 HB VAL 65 -7.181 4.207 7.005 502 HG11 VAL 65 1HG1 VAL 65 -8.404 2.307 7.959 503 HG12 VAL 65 2HG1 VAL 65 -6.824 1.789 7.369 504 HG13 VAL 65 3HG1 VAL 65 -8.277 1.426 6.432 505 HG21 VAL 65 1HG2 VAL 65 -7.157 2.707 4.354 506 HG22 VAL 65 2HG2 VAL 65 -5.758 2.932 5.398 507 HG23 VAL 65 3HG2 VAL 65 -6.525 4.329 4.651 508 H GLY 66 H GLY 66 -9.116 4.592 3.433 509 HA2 GLY 66 2HA GLY 66 -7.940 7.180 3.378 510 HA3 GLY 66 1HA GLY 66 -8.720 6.344 2.056 511 H PHE 67 H PHE 67 -9.029 9.005 2.207 512 HA PHE 67 HA PHE 67 -11.442 9.853 3.462 513 HB2 PHE 67 2HB PHE 67 -10.112 10.938 0.947 514 HB3 PHE 67 1HB PHE 67 -11.338 11.764 1.895 515 HD1 PHE 67 HD1 PHE 67 -10.717 12.234 4.421 516 HD2 PHE 67 HD2 PHE 67 -7.842 11.404 1.357 517 HE1 PHE 67 HE1 PHE 67 -8.971 13.347 5.747 518 HE2 PHE 67 HE2 PHE 67 -6.108 12.512 2.698 519 HZ PHE 67 HZ PHE 67 -6.668 13.484 4.889 520 H SER 68 H SER 68 -13.518 10.181 2.447 521 HA SER 68 HA SER 68 -14.528 7.845 1.304 522 HB2 SER 68 2HB SER 68 -16.673 9.131 1.139 523 HB3 SER 68 1HB SER 68 -15.878 9.322 2.701 524 HG SER 68 HG SER 68 -16.706 11.266 1.396 525 H THR 69 H THR 69 -13.958 11.006 -0.269 526 HA THR 69 HA THR 69 -14.433 9.838 -2.926 527 HB THR 69 HB THR 69 -14.316 12.177 -3.780 528 HG1 THR 69 HG1 THR 69 -13.505 13.714 -2.581 529 HG21 THR 69 1HG2 THR 69 -16.506 11.292 -3.028 530 HG22 THR 69 2HG2 THR 69 -16.383 13.034 -2.761 531 HG23 THR 69 3HG2 THR 69 -16.193 11.916 -1.408 532 H ASP 70 H ASP 70 -11.860 11.563 -1.093 533 HA ASP 70 HA ASP 70 -10.120 12.002 -3.258 534 HB2 ASP 70 2HB ASP 70 -9.468 11.825 -0.289 535 HB3 ASP 70 1HB ASP 70 -8.298 12.325 -1.502 536 H ALA 71 H ALA 71 -10.122 9.322 -0.880 537 HA ALA 71 HA ALA 71 -7.726 8.070 -1.611 538 HB1 ALA 71 1HB ALA 71 -8.980 7.519 0.426 539 HB2 ALA 71 2HB ALA 71 -8.615 6.070 -0.513 540 HB3 ALA 71 3HB ALA 71 -10.241 6.761 -0.544 541 H ARG 72 H ARG 72 -10.878 7.943 -3.123 542 HA ARG 72 HA ARG 72 -10.576 5.561 -4.613 543 HB2 ARG 72 2HB ARG 72 -12.347 7.949 -5.259 544 HB3 ARG 72 1HB ARG 72 -12.533 6.310 -5.882 545 HG2 ARG 72 2HG ARG 72 -12.886 5.541 -3.495 546 HG3 ARG 72 1HG ARG 72 -12.927 7.244 -3.021 547 HD2 ARG 72 2HD ARG 72 -15.196 6.399 -3.291 548 HD3 ARG 72 1HD ARG 72 -14.850 7.590 -4.543 549 HE ARG 72 HE ARG 72 -14.455 5.659 -6.068 550 HH11 ARG 72 1HH1 ARG 72 -16.552 5.164 -3.272 551 HH12 ARG 72 2HH1 ARG 72 -17.409 3.858 -4.016 552 HH21 ARG 72 1HH2 ARG 72 -15.572 3.932 -6.989 553 HH22 ARG 72 2HH2 ARG 72 -16.852 3.162 -6.115 554 H GLU 73 H GLU 73 -9.861 8.992 -5.431 555 HA GLU 73 HA GLU 73 -8.686 8.158 -8.012 556 HB2 GLU 73 2HB GLU 73 -8.315 10.545 -8.452 557 HB3 GLU 73 1HB GLU 73 -9.994 10.232 -8.039 558 HG2 GLU 73 2HG GLU 73 -9.730 11.216 -5.857 559 HG3 GLU 73 1HG GLU 73 -7.979 11.314 -6.042 560 H LEU 74 H LEU 74 -7.661 8.900 -4.782 561 HA LEU 74 HA LEU 74 -4.961 9.611 -5.431 562 HB2 LEU 74 2HB LEU 74 -6.488 9.325 -2.890 563 HB3 LEU 74 1HB LEU 74 -4.777 8.971 -2.759 564 HG LEU 74 HG LEU 74 -4.207 11.226 -3.594 565 HD11 LEU 74 1HD1 LEU 74 -7.174 11.794 -3.684 566 HD12 LEU 74 2HD1 LEU 74 -6.099 11.650 -5.076 567 HD13 LEU 74 3HD1 LEU 74 -5.881 12.971 -3.929 568 HD21 LEU 74 1HD2 LEU 74 -4.943 12.544 -1.654 569 HD22 LEU 74 2HD2 LEU 74 -4.450 10.919 -1.179 570 HD23 LEU 74 3HD2 LEU 74 -6.167 11.323 -1.281 571 H SER 75 H SER 75 -6.607 6.619 -5.158 572 HA SER 75 HA SER 75 -4.632 4.789 -4.508 573 HB2 SER 75 2HB SER 75 -6.989 4.175 -4.976 574 HB3 SER 75 1HB SER 75 -6.751 4.518 -6.689 575 HG SER 75 HG SER 75 -4.904 2.765 -5.702 576 H LYS 76 H LYS 76 -5.422 5.833 -7.860 577 HA LYS 76 HA LYS 76 -2.979 4.812 -8.944 578 HB2 LYS 76 2HB LYS 76 -3.791 5.880 -11.091 579 HB3 LYS 76 1HB LYS 76 -4.906 4.750 -10.349 580 HG2 LYS 76 2HG LYS 76 -6.282 6.480 -11.103 581 HG3 LYS 76 1HG LYS 76 -6.110 6.802 -9.379 582 HD2 LYS 76 2HD LYS 76 -4.409 8.546 -9.891 583 HD3 LYS 76 1HD LYS 76 -4.597 8.219 -11.616 584 HE2 LYS 76 2HE LYS 76 -6.910 8.988 -11.548 585 HE3 LYS 76 1HE LYS 76 -6.832 9.181 -9.795 586 HZ1 LYS 76 1HZ LYS 76 -5.234 10.720 -11.769 587 HZ2 LYS 76 2HZ LYS 76 -5.182 10.907 -10.088 588 HZ3 LYS 76 3HZ LYS 76 -6.587 11.283 -10.939 589 H LYS 77 H LYS 77 -3.714 7.769 -7.386 590 HA LYS 77 HA LYS 77 -1.882 9.540 -8.683 591 HB2 LYS 77 2HB LYS 77 -3.861 10.119 -7.154 592 HB3 LYS 77 1HB LYS 77 -2.845 9.684 -5.797 593 HG2 LYS 77 2HG LYS 77 -1.506 11.673 -7.486 594 HG3 LYS 77 1HG LYS 77 -3.112 12.217 -7.024 595 HD2 LYS 77 2HD LYS 77 -1.702 13.079 -5.340 596 HD3 LYS 77 1HD LYS 77 -2.462 11.662 -4.608 597 HE2 LYS 77 2HE LYS 77 -0.084 11.762 -4.050 598 HE3 LYS 77 1HE LYS 77 -0.414 10.349 -5.052 599 HZ1 LYS 77 1HZ LYS 77 1.572 11.417 -5.805 600 HZ2 LYS 77 2HZ LYS 77 0.807 12.915 -5.922 601 HZ3 LYS 77 3HZ LYS 77 0.385 11.667 -6.979 602 H TYR 78 H TYR 78 -1.691 7.344 -5.918 603 HA TYR 78 HA TYR 78 1.115 7.969 -5.369 604 HB2 TYR 78 2HB TYR 78 -0.995 6.261 -3.980 605 HB3 TYR 78 1HB TYR 78 0.693 6.235 -3.486 606 HD1 TYR 78 HD1 TYR 78 -2.445 8.034 -3.195 607 HD2 TYR 78 HD2 TYR 78 1.776 8.412 -2.697 608 HE1 TYR 78 HE1 TYR 78 -2.795 10.013 -1.800 609 HE2 TYR 78 HE2 TYR 78 1.416 10.394 -1.304 610 HH TYR 78 HH TYR 78 -1.399 11.198 0.098 611 H ILE 79 H ILE 79 0.683 6.815 -7.911 612 HA ILE 79 HA ILE 79 1.259 4.010 -7.870 613 HB ILE 79 HB ILE 79 0.180 4.918 -9.824 614 HG12 ILE 79 2HG1 ILE 79 1.656 4.121 -11.681 615 HG13 ILE 79 1HG1 ILE 79 3.022 4.106 -10.570 616 HG21 ILE 79 1HG2 ILE 79 0.944 7.232 -9.744 617 HG22 ILE 79 2HG2 ILE 79 1.167 6.559 -11.363 618 HG23 ILE 79 3HG2 ILE 79 2.551 6.741 -10.285 619 HD11 ILE 79 1HD1 ILE 79 2.074 1.886 -10.958 620 HD12 ILE 79 2HD1 ILE 79 0.534 2.425 -10.289 621 HD13 ILE 79 3HD1 ILE 79 1.971 2.357 -9.262 622 H ILE 80 H ILE 80 2.992 3.574 -6.581 623 HA ILE 80 HA ILE 80 5.564 4.956 -6.992 624 HB ILE 80 HB ILE 80 4.579 4.612 -4.658 625 HG12 ILE 80 2HG1 ILE 80 7.386 3.475 -5.057 626 HG13 ILE 80 1HG1 ILE 80 6.990 5.187 -5.070 627 HG21 ILE 80 1HG2 ILE 80 5.456 1.733 -5.021 628 HG22 ILE 80 2HG2 ILE 80 3.785 2.289 -4.929 629 HG23 ILE 80 3HG2 ILE 80 4.849 2.458 -3.529 630 HD11 ILE 80 1HD1 ILE 80 6.699 3.324 -2.714 631 HD12 ILE 80 2HD1 ILE 80 6.277 5.039 -2.733 632 HD13 ILE 80 3HD1 ILE 80 7.954 4.541 -2.955 633 H GLY 81 H GLY 81 3.975 2.295 -8.184 634 HA2 GLY 81 2HA GLY 81 5.599 1.436 -10.085 635 HA3 GLY 81 1HA GLY 81 6.357 0.650 -8.697 636 H GLU 82 H GLU 82 5.827 -1.396 -9.625 637 HA GLU 82 HA GLU 82 3.025 -2.199 -9.085 638 HB2 GLU 82 2HB GLU 82 3.301 -3.970 -10.806 639 HB3 GLU 82 1HB GLU 82 3.417 -2.347 -11.480 640 HG2 GLU 82 2HG GLU 82 5.876 -2.535 -11.542 641 HG3 GLU 82 1HG GLU 82 5.769 -4.163 -10.867 642 H LEU 83 H LEU 83 2.749 -4.125 -7.993 643 HA LEU 83 HA LEU 83 4.907 -5.048 -6.343 644 HB2 LEU 83 2HB LEU 83 2.405 -4.837 -5.708 645 HB3 LEU 83 1HB LEU 83 2.144 -6.318 -6.599 646 HG LEU 83 HG LEU 83 2.301 -6.577 -4.092 647 HD11 LEU 83 1HD1 LEU 83 4.435 -8.129 -5.555 648 HD12 LEU 83 2HD1 LEU 83 2.715 -8.510 -5.514 649 HD13 LEU 83 3HD1 LEU 83 3.657 -8.568 -4.028 650 HD21 LEU 83 1HD2 LEU 83 4.447 -6.423 -2.961 651 HD22 LEU 83 2HD2 LEU 83 4.012 -4.871 -3.669 652 HD23 LEU 83 3HD2 LEU 83 5.228 -5.885 -4.448 653 H HIS 84 H HIS 84 5.928 -6.984 -6.498 654 HA HIS 84 HA HIS 84 6.621 -7.932 -9.016 655 HB2 HIS 84 2HB HIS 84 7.999 -7.955 -6.864 656 HB3 HIS 84 1HB HIS 84 7.060 -9.351 -6.350 657 HD1 HIS 84 HD1 HIS 84 8.156 -11.520 -6.880 658 HD2 HIS 84 HD2 HIS 84 9.357 -8.493 -9.451 659 HE1 HIS 84 HE1 HIS 84 9.866 -12.561 -8.393 660 HE2 HIS 84 HE2 HIS 84 10.713 -10.645 -9.784 661 HA PRO 85 HA PRO 85 2.979 -10.444 -9.934 662 HB2 PRO 85 2HB PRO 85 4.282 -12.221 -11.744 663 HB3 PRO 85 1HB PRO 85 3.510 -10.680 -12.157 664 HG2 PRO 85 2HG PRO 85 6.398 -11.253 -11.630 665 HG3 PRO 85 1HG PRO 85 5.664 -10.166 -12.832 666 HD2 PRO 85 2HD PRO 85 6.760 -9.151 -10.626 667 HD3 PRO 85 1HD PRO 85 5.228 -8.477 -11.239 668 H ASP 86 H ASP 86 6.008 -12.061 -9.105 669 HA ASP 86 HA ASP 86 4.868 -14.592 -8.422 670 HB2 ASP 86 2HB ASP 86 7.240 -14.285 -9.112 671 HB3 ASP 86 1HB ASP 86 7.548 -13.373 -7.638 672 H ASP 87 H ASP 87 5.582 -11.639 -6.615 673 HA ASP 87 HA ASP 87 5.419 -12.843 -4.004 674 HB2 ASP 87 2HB ASP 87 5.891 -10.054 -5.031 675 HB3 ASP 87 1HB ASP 87 5.403 -10.236 -3.349 676 H ARG 88 H ARG 88 3.129 -11.023 -6.005 677 HA ARG 88 HA ARG 88 1.164 -10.665 -3.963 678 HB2 ARG 88 2HB ARG 88 -0.377 -10.162 -5.840 679 HB3 ARG 88 1HB ARG 88 1.136 -9.279 -5.956 680 HG2 ARG 88 2HG ARG 88 0.944 -9.921 -8.151 681 HG3 ARG 88 1HG ARG 88 1.798 -11.331 -7.540 682 HD2 ARG 88 2HD ARG 88 -0.506 -12.416 -7.208 683 HD3 ARG 88 1HD ARG 88 -1.164 -11.069 -8.140 684 HE ARG 88 HE ARG 88 0.968 -12.367 -9.527 685 HH11 ARG 88 1HH1 ARG 88 -2.444 -12.762 -8.724 686 HH12 ARG 88 2HH1 ARG 88 -2.770 -13.758 -10.113 687 HH21 ARG 88 1HH2 ARG 88 0.516 -13.713 -11.312 688 HH22 ARG 88 2HH2 ARG 88 -1.106 -14.288 -11.562 689 H SER 89 H SER 89 2.115 -13.340 -5.875 690 HA SER 89 HA SER 89 -0.176 -15.027 -5.264 691 HB2 SER 89 2HB SER 89 0.946 -15.299 -7.426 692 HB3 SER 89 1HB SER 89 2.491 -15.590 -6.630 693 HG SER 89 HG SER 89 1.951 -17.601 -6.596 694 H LYS 90 H LYS 90 3.226 -14.634 -4.230 695 HA LYS 90 HA LYS 90 3.499 -16.794 -2.462 696 HB2 LYS 90 2HB LYS 90 4.799 -14.038 -2.482 697 HB3 LYS 90 1HB LYS 90 5.237 -15.250 -1.288 698 HG2 LYS 90 2HG LYS 90 6.164 -16.699 -2.953 699 HG3 LYS 90 1HG LYS 90 5.480 -15.741 -4.266 700 HD2 LYS 90 2HD LYS 90 7.882 -15.331 -4.099 701 HD3 LYS 90 1HD LYS 90 6.995 -13.866 -3.705 702 HE2 LYS 90 2HE LYS 90 8.085 -15.710 -1.557 703 HE3 LYS 90 1HE LYS 90 9.057 -14.434 -2.280 704 HZ1 LYS 90 1HZ LYS 90 8.113 -13.639 -0.269 705 HZ2 LYS 90 2HZ LYS 90 6.553 -14.092 -0.727 706 HZ3 LYS 90 3HZ LYS 90 7.346 -12.834 -1.541 707 H ILE 91 H ILE 91 2.466 -13.465 -1.825 708 HA ILE 91 HA ILE 91 1.519 -14.201 0.889 709 HB ILE 91 HB ILE 91 2.643 -11.453 0.134 710 HG12 ILE 91 2HG1 ILE 91 4.170 -13.784 1.396 711 HG13 ILE 91 1HG1 ILE 91 4.478 -13.072 -0.180 712 HG21 ILE 91 1HG2 ILE 91 2.226 -12.736 2.866 713 HG22 ILE 91 2HG2 ILE 91 1.192 -11.502 2.144 714 HG23 ILE 91 3HG2 ILE 91 2.858 -11.113 2.570 715 HD11 ILE 91 1HD1 ILE 91 6.144 -12.375 1.406 716 HD12 ILE 91 2HD1 ILE 91 4.910 -11.740 2.492 717 HD13 ILE 91 3HD1 ILE 91 5.174 -10.987 0.917 718 H ALA 92 H ALA 92 -0.016 -14.379 -1.504 719 HA ALA 92 HA ALA 92 -1.931 -12.318 -1.826 720 HB1 ALA 92 1HB ALA 92 -2.351 -15.337 -1.984 721 HB2 ALA 92 2HB ALA 92 -1.831 -14.298 -3.313 722 HB3 ALA 92 3HB ALA 92 -3.445 -14.107 -2.630 723 H LYS 93 H LYS 93 -1.719 -15.062 0.352 724 HA LYS 93 HA LYS 93 -2.613 -13.451 2.558 725 HB2 LYS 93 2HB LYS 93 -4.274 -15.023 3.427 726 HB3 LYS 93 1HB LYS 93 -4.766 -14.484 1.835 727 HG2 LYS 93 2HG LYS 93 -3.443 -17.158 2.372 728 HG3 LYS 93 1HG LYS 93 -5.190 -16.918 2.336 729 HD2 LYS 93 2HD LYS 93 -5.021 -16.191 -0.041 730 HD3 LYS 93 1HD LYS 93 -3.275 -16.467 0.008 731 HE2 LYS 93 2HE LYS 93 -3.679 -18.866 0.478 732 HE3 LYS 93 1HE LYS 93 -5.420 -18.578 0.426 733 HZ1 LYS 93 1HZ LYS 93 -4.654 -19.467 -1.656 734 HZ2 LYS 93 2HZ LYS 93 -3.521 -18.229 -1.824 735 HZ3 LYS 93 3HZ LYS 93 -5.172 -17.874 -1.888 736 HA PRO 94 HA PRO 94 0.919 -16.033 3.938 737 HB2 PRO 94 2HB PRO 94 1.476 -14.694 6.253 738 HB3 PRO 94 1HB PRO 94 1.885 -14.009 4.667 739 HG2 PRO 94 2HG PRO 94 -0.473 -13.389 6.423 740 HG3 PRO 94 1HG PRO 94 0.591 -12.272 5.539 741 HD2 PRO 94 2HD PRO 94 -1.858 -13.036 4.582 742 HD3 PRO 94 1HD PRO 94 -0.503 -12.609 3.515 743 H SER 95 H SER 95 1.381 -17.225 6.114 744 HA SER 95 HA SER 95 -0.834 -18.703 7.038 745 HB2 SER 95 2HB SER 95 1.859 -18.301 8.420 746 HB3 SER 95 1HB SER 95 0.700 -19.584 8.777 747 HG SER 95 HG SER 95 1.334 -20.643 7.062 748 H GLU 96 H GLU 96 -2.490 -17.807 8.048 749 HA GLU 96 HA GLU 96 -2.422 -15.314 9.434 750 HB2 GLU 96 2HB GLU 96 -4.673 -17.340 9.134 751 HB3 GLU 96 1HB GLU 96 -4.863 -15.701 9.759 752 HG2 GLU 96 2HG GLU 96 -4.182 -14.764 7.591 753 HG3 GLU 96 1HG GLU 96 -3.904 -16.384 6.954 754 H THR 97 H THR 97 -1.674 -18.402 10.508 755 HA THR 97 HA THR 97 -2.348 -18.150 13.287 756 HB THR 97 HB THR 97 -1.808 -20.353 12.188 757 HG1 THR 97 HG1 THR 97 -0.219 -19.576 14.430 758 HG21 THR 97 1HG2 THR 97 0.107 -19.654 10.771 759 HG22 THR 97 2HG2 THR 97 0.542 -21.008 11.813 760 HG23 THR 97 3HG2 THR 97 1.076 -19.379 12.225 761 H LEU 98 H LEU 98 -0.081 -16.622 11.254 762 HA LEU 98 HA LEU 98 1.778 -15.418 11.389 763 HB2 LEU 98 2HB LEU 98 0.661 -14.898 14.147 764 HB3 LEU 98 1HB LEU 98 2.222 -14.242 13.703 765 HG LEU 98 HG LEU 98 0.513 -12.534 13.432 766 HD11 LEU 98 1HD1 LEU 98 2.387 -12.482 11.848 767 HD12 LEU 98 2HD1 LEU 98 0.915 -11.840 11.124 768 HD13 LEU 98 3HD1 LEU 98 1.464 -13.465 10.706 769 HD21 LEU 98 1HD2 LEU 98 -1.344 -12.711 11.837 770 HD22 LEU 98 2HD2 LEU 98 -1.462 -13.948 13.088 771 HD23 LEU 98 3HD2 LEU 98 -0.891 -14.381 11.475 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 14.235 -4.012 -1.648 2 H2 ALA 1 2H ALA 1 12.724 -4.659 -1.289 3 H3 ALA 1 3H ALA 1 12.902 -2.993 -1.497 4 HA ALA 1 HA ALA 1 13.236 -5.071 -3.571 5 HB1 ALA 1 1HB ALA 1 11.108 -2.933 -3.231 6 HB2 ALA 1 2HB ALA 1 10.887 -4.665 -2.983 7 HB3 ALA 1 3HB ALA 1 11.236 -4.047 -4.598 8 H GLU 2 H GLU 2 15.251 -4.350 -4.179 9 HA GLU 2 HA GLU 2 15.845 -1.554 -4.583 10 HB2 GLU 2 2HB GLU 2 18.124 -2.253 -5.140 11 HB3 GLU 2 1HB GLU 2 17.596 -2.971 -3.632 12 HG2 GLU 2 2HG GLU 2 17.734 -4.431 -6.288 13 HG3 GLU 2 1HG GLU 2 18.990 -4.474 -5.059 14 H GLN 3 H GLN 3 14.480 -0.889 -6.172 15 HA GLN 3 HA GLN 3 14.834 -1.931 -8.919 16 HB2 GLN 3 2HB GLN 3 12.493 -1.618 -8.007 17 HB3 GLN 3 1HB GLN 3 12.813 0.110 -7.892 18 HG2 GLN 3 2HG GLN 3 11.610 -0.180 -9.918 19 HG3 GLN 3 1HG GLN 3 13.283 0.071 -10.408 20 HE21 GLN 3 1HE2 GLN 3 12.848 -0.970 -12.417 21 HE22 GLN 3 2HE2 GLN 3 12.645 -2.676 -12.522 22 H SER 4 H SER 4 16.155 -0.852 -10.254 23 HA SER 4 HA SER 4 17.552 1.531 -9.540 24 HB2 SER 4 2HB SER 4 18.494 1.300 -11.898 25 HB3 SER 4 1HB SER 4 18.676 -0.133 -10.888 26 HG SER 4 HG SER 4 17.914 -0.838 -12.827 27 H ASP 5 H ASP 5 14.696 0.861 -11.448 28 HA ASP 5 HA ASP 5 14.339 3.435 -12.609 29 HB2 ASP 5 2HB ASP 5 12.260 1.303 -11.896 30 HB3 ASP 5 1HB ASP 5 11.948 2.719 -12.894 31 H LYS 6 H LYS 6 13.937 5.264 -11.561 32 HA LYS 6 HA LYS 6 13.232 5.667 -8.873 33 HB2 LYS 6 2HB LYS 6 14.251 7.453 -10.150 34 HB3 LYS 6 1HB LYS 6 12.976 7.402 -11.360 35 HG2 LYS 6 2HG LYS 6 11.368 8.240 -9.602 36 HG3 LYS 6 1HG LYS 6 12.750 8.445 -8.516 37 HD2 LYS 6 2HD LYS 6 13.751 10.091 -9.996 38 HD3 LYS 6 1HD LYS 6 12.546 9.770 -11.249 39 HE2 LYS 6 2HE LYS 6 12.019 11.018 -8.534 40 HE3 LYS 6 1HE LYS 6 12.028 11.857 -10.084 41 HZ1 LYS 6 1HZ LYS 6 10.104 9.734 -9.259 42 HZ2 LYS 6 2HZ LYS 6 10.123 10.483 -10.770 43 HZ3 LYS 6 3HZ LYS 6 9.776 11.388 -9.385 44 H ASP 7 H ASP 7 11.241 5.804 -11.826 45 HA ASP 7 HA ASP 7 8.771 5.648 -10.204 46 HB2 ASP 7 2HB ASP 7 9.138 6.612 -13.076 47 HB3 ASP 7 1HB ASP 7 7.608 6.560 -12.203 48 H VAL 8 H VAL 8 7.141 4.219 -10.792 49 HA VAL 8 HA VAL 8 6.309 2.187 -11.100 50 HB VAL 8 HB VAL 8 7.685 2.189 -13.814 51 HG11 VAL 8 1HG1 VAL 8 5.236 0.679 -12.811 52 HG12 VAL 8 2HG1 VAL 8 6.809 -0.027 -13.191 53 HG13 VAL 8 3HG1 VAL 8 5.825 0.673 -14.476 54 HG21 VAL 8 1HG2 VAL 8 4.949 3.277 -13.039 55 HG22 VAL 8 2HG2 VAL 8 5.580 3.167 -14.684 56 HG23 VAL 8 3HG2 VAL 8 6.350 4.243 -13.515 57 H LYS 9 H LYS 9 7.474 1.379 -9.402 58 HA LYS 9 HA LYS 9 10.003 -0.033 -9.874 59 HB2 LYS 9 2HB LYS 9 8.682 0.669 -7.220 60 HB3 LYS 9 1HB LYS 9 10.331 0.098 -7.468 61 HG2 LYS 9 2HG LYS 9 10.865 2.221 -8.670 62 HG3 LYS 9 1HG LYS 9 9.220 2.785 -8.370 63 HD2 LYS 9 2HD LYS 9 10.660 3.805 -6.725 64 HD3 LYS 9 1HD LYS 9 9.670 2.602 -5.896 65 HE2 LYS 9 2HE LYS 9 11.968 2.495 -5.091 66 HE3 LYS 9 1HE LYS 9 11.592 1.014 -5.975 67 HZ1 LYS 9 1HZ LYS 9 13.120 3.340 -7.030 68 HZ2 LYS 9 2HZ LYS 9 12.755 1.948 -7.906 69 HZ3 LYS 9 3HZ LYS 9 13.779 1.857 -6.565 70 H TYR 10 H TYR 10 10.106 -2.237 -9.810 71 HA TYR 10 HA TYR 10 7.831 -3.865 -9.154 72 HB2 TYR 10 2HB TYR 10 10.710 -4.552 -9.851 73 HB3 TYR 10 1HB TYR 10 9.526 -5.779 -9.414 74 HD1 TYR 10 HD1 TYR 10 7.944 -6.588 -11.015 75 HD2 TYR 10 HD2 TYR 10 10.296 -3.137 -11.948 76 HE1 TYR 10 HE1 TYR 10 7.169 -6.689 -13.344 77 HE2 TYR 10 HE2 TYR 10 9.514 -3.236 -14.273 78 HH TYR 10 HH TYR 10 6.900 -5.068 -15.261 79 H TYR 11 H TYR 11 7.293 -3.499 -7.062 80 HA TYR 11 HA TYR 11 9.220 -3.828 -4.898 81 HB2 TYR 11 2HB TYR 11 6.309 -3.075 -5.045 82 HB3 TYR 11 1HB TYR 11 6.914 -3.714 -3.523 83 HD1 TYR 11 HD1 TYR 11 7.091 -0.851 -5.869 84 HD2 TYR 11 HD2 TYR 11 8.526 -2.465 -2.184 85 HE1 TYR 11 HE1 TYR 11 7.966 1.357 -5.241 86 HE2 TYR 11 HE2 TYR 11 9.397 -0.266 -1.566 87 HH TYR 11 HH TYR 11 8.547 2.553 -2.975 88 H THR 12 H THR 12 9.037 -5.385 -3.248 89 HA THR 12 HA THR 12 7.853 -7.994 -4.029 90 HB THR 12 HB THR 12 10.164 -7.307 -2.147 91 HG1 THR 12 HG1 THR 12 9.990 -8.100 -4.808 92 HG21 THR 12 1HG2 THR 12 9.129 -10.049 -2.938 93 HG22 THR 12 2HG2 THR 12 8.975 -9.313 -1.341 94 HG23 THR 12 3HG2 THR 12 10.569 -9.729 -1.975 95 H LEU 13 H LEU 13 6.171 -8.727 -2.731 96 HA LEU 13 HA LEU 13 5.061 -6.959 -0.765 97 HB2 LEU 13 2HB LEU 13 3.853 -8.566 -2.401 98 HB3 LEU 13 1HB LEU 13 4.174 -9.822 -1.221 99 HG LEU 13 HG LEU 13 2.738 -8.757 0.423 100 HD11 LEU 13 1HD1 LEU 13 2.473 -6.416 -1.496 101 HD12 LEU 13 2HD1 LEU 13 3.335 -6.406 0.046 102 HD13 LEU 13 3HD1 LEU 13 1.587 -6.620 0.018 103 HD21 LEU 13 1HD2 LEU 13 1.597 -10.090 -1.301 104 HD22 LEU 13 2HD2 LEU 13 1.400 -8.646 -2.299 105 HD23 LEU 13 3HD2 LEU 13 0.578 -8.765 -0.739 106 H GLU 14 H GLU 14 6.998 -9.860 -0.662 107 HA GLU 14 HA GLU 14 6.987 -10.440 2.095 108 HB2 GLU 14 2HB GLU 14 7.894 -11.907 0.282 109 HB3 GLU 14 1HB GLU 14 9.233 -10.790 0.064 110 HG2 GLU 14 2HG GLU 14 10.012 -11.298 2.368 111 HG3 GLU 14 1HG GLU 14 8.677 -12.438 2.556 112 H GLU 15 H GLU 15 8.845 -8.141 0.150 113 HA GLU 15 HA GLU 15 10.582 -7.178 2.179 114 HB2 GLU 15 2HB GLU 15 11.074 -6.831 -0.196 115 HB3 GLU 15 1HB GLU 15 9.606 -5.887 -0.392 116 HG2 GLU 15 2HG GLU 15 11.415 -4.342 -0.334 117 HG3 GLU 15 1HG GLU 15 10.562 -4.186 1.198 118 H ILE 16 H ILE 16 7.445 -6.033 0.924 119 HA ILE 16 HA ILE 16 7.346 -3.597 2.367 120 HB ILE 16 HB ILE 16 5.000 -5.181 1.217 121 HG12 ILE 16 2HG1 ILE 16 6.655 -2.972 -0.099 122 HG13 ILE 16 1HG1 ILE 16 6.713 -4.677 -0.526 123 HG21 ILE 16 1HG2 ILE 16 5.223 -2.230 1.922 124 HG22 ILE 16 2HG2 ILE 16 4.301 -3.439 2.819 125 HG23 ILE 16 3HG2 ILE 16 3.823 -3.006 1.178 126 HD11 ILE 16 1HD1 ILE 16 4.333 -2.852 -0.838 127 HD12 ILE 16 2HD1 ILE 16 4.372 -4.572 -1.242 128 HD13 ILE 16 3HD1 ILE 16 5.397 -3.435 -2.118 129 H GLN 17 H GLN 17 6.345 -6.885 3.115 130 HA GLN 17 HA GLN 17 4.638 -6.429 5.291 131 HB2 GLN 17 2HB GLN 17 4.950 -8.612 4.054 132 HB3 GLN 17 1HB GLN 17 6.458 -8.847 4.932 133 HG2 GLN 17 2HG GLN 17 5.235 -8.909 7.065 134 HG3 GLN 17 1HG GLN 17 3.718 -8.581 6.229 135 HE21 GLN 17 1HE2 GLN 17 4.380 -10.862 7.911 136 HE22 GLN 17 2HE2 GLN 17 4.148 -12.263 6.930 137 H LYS 18 H LYS 18 8.072 -6.027 5.082 138 HA LYS 18 HA LYS 18 8.554 -6.050 7.960 139 HB2 LYS 18 2HB LYS 18 10.406 -4.989 5.785 140 HB3 LYS 18 1HB LYS 18 10.842 -5.503 7.411 141 HG2 LYS 18 2HG LYS 18 9.990 -7.256 5.092 142 HG3 LYS 18 1HG LYS 18 11.587 -7.160 5.838 143 HD2 LYS 18 2HD LYS 18 10.540 -8.057 7.971 144 HD3 LYS 18 1HD LYS 18 9.048 -8.312 7.059 145 HE2 LYS 18 2HE LYS 18 11.739 -9.630 6.559 146 HE3 LYS 18 1HE LYS 18 10.278 -10.401 7.172 147 HZ1 LYS 18 1HZ LYS 18 10.611 -9.241 4.455 148 HZ2 LYS 18 2HZ LYS 18 9.213 -9.989 5.039 149 HZ3 LYS 18 3HZ LYS 18 10.632 -10.890 4.841 150 H HIS 19 H HIS 19 6.488 -4.205 7.067 151 HA HIS 19 HA HIS 19 7.572 -1.512 7.223 152 HB2 HIS 19 2HB HIS 19 5.189 -0.783 7.044 153 HB3 HIS 19 1HB HIS 19 5.677 -1.853 5.738 154 HD1 HIS 19 HD1 HIS 19 4.908 -4.456 6.140 155 HD2 HIS 19 HD2 HIS 19 2.819 -1.553 8.215 156 HE1 HIS 19 HE1 HIS 19 2.833 -5.581 6.924 157 HE2 HIS 19 HE2 HIS 19 1.670 -3.857 8.337 158 H LYS 20 H LYS 20 8.339 -1.004 9.174 159 HA LYS 20 HA LYS 20 6.673 -1.344 11.597 160 HB2 LYS 20 2HB LYS 20 9.532 -0.285 11.305 161 HB3 LYS 20 1HB LYS 20 8.657 -0.407 12.823 162 HG2 LYS 20 2HG LYS 20 10.165 -2.236 12.771 163 HG3 LYS 20 1HG LYS 20 8.564 -2.916 12.471 164 HD2 LYS 20 2HD LYS 20 9.047 -3.101 10.081 165 HD3 LYS 20 1HD LYS 20 10.589 -2.267 10.293 166 HE2 LYS 20 2HE LYS 20 9.895 -4.953 11.528 167 HE3 LYS 20 1HE LYS 20 10.833 -4.732 10.050 168 HZ1 LYS 20 1HZ LYS 20 12.503 -3.540 11.320 169 HZ2 LYS 20 2HZ LYS 20 12.252 -5.074 11.977 170 HZ3 LYS 20 3HZ LYS 20 11.600 -3.715 12.737 171 H ASP 21 H ASP 21 8.584 1.086 9.924 172 HA ASP 21 HA ASP 21 7.015 3.335 10.936 173 HB2 ASP 21 2HB ASP 21 9.594 3.152 9.305 174 HB3 ASP 21 1HB ASP 21 8.825 4.677 9.725 175 H SER 22 H SER 22 6.497 5.033 9.439 176 HA SER 22 HA SER 22 4.733 4.469 7.406 177 HB2 SER 22 2HB SER 22 6.406 6.997 7.745 178 HB3 SER 22 1HB SER 22 4.841 6.876 6.932 179 HG SER 22 HG SER 22 4.182 6.007 9.150 180 H LYS 23 H LYS 23 8.165 5.175 7.237 181 HA LYS 23 HA LYS 23 8.348 5.713 4.487 182 HB2 LYS 23 2HB LYS 23 10.873 5.454 4.931 183 HB3 LYS 23 1HB LYS 23 9.981 6.687 5.810 184 HG2 LYS 23 2HG LYS 23 11.473 5.723 7.374 185 HG3 LYS 23 1HG LYS 23 9.877 5.115 7.779 186 HD2 LYS 23 2HD LYS 23 11.478 3.322 8.001 187 HD3 LYS 23 1HD LYS 23 10.443 2.977 6.612 188 HE2 LYS 23 2HE LYS 23 12.753 2.448 6.069 189 HE3 LYS 23 1HE LYS 23 12.243 3.834 5.106 190 HZ1 LYS 23 1HZ LYS 23 13.858 3.964 7.599 191 HZ2 LYS 23 2HZ LYS 23 13.410 5.286 6.646 192 HZ3 LYS 23 3HZ LYS 23 14.467 4.117 6.031 193 H SER 24 H SER 24 8.180 2.656 6.068 194 HA SER 24 HA SER 24 8.871 1.306 3.500 195 HB2 SER 24 2HB SER 24 9.031 0.139 6.309 196 HB3 SER 24 1HB SER 24 9.449 -0.697 4.811 197 HG SER 24 HG SER 24 10.864 1.407 4.665 198 H THR 25 H THR 25 6.238 2.464 4.418 199 HA THR 25 HA THR 25 4.597 0.009 4.622 200 HB THR 25 HB THR 25 3.897 2.896 5.318 201 HG1 THR 25 HG1 THR 25 5.211 1.771 6.832 202 HG21 THR 25 1HG2 THR 25 2.157 0.409 5.563 203 HG22 THR 25 2HG2 THR 25 1.889 1.743 4.441 204 HG23 THR 25 3HG2 THR 25 1.748 2.015 6.177 205 H TRP 26 H TRP 26 3.955 -0.643 2.713 206 HA TRP 26 HA TRP 26 2.676 1.211 0.813 207 HB2 TRP 26 2HB TRP 26 4.538 -1.075 -0.004 208 HB3 TRP 26 1HB TRP 26 3.688 0.012 -1.096 209 HD1 TRP 26 HD TRP 26 4.515 2.704 -0.871 210 HE1 TRP 26 HE1 TRP 26 6.870 3.652 -0.536 211 HE3 TRP 26 HE3 TRP 26 6.788 -1.480 0.973 212 HZ2 TRP 26 HZ2 TRP 26 9.373 2.737 0.383 213 HZ3 TRP 26 HZ3 TRP 26 9.176 -1.363 1.560 214 HH2 TRP 26 HH TRP 26 10.446 0.711 1.271 215 H VAL 27 H VAL 27 1.200 -0.026 -0.679 216 HA VAL 27 HA VAL 27 0.136 -2.555 0.457 217 HB VAL 27 HB VAL 27 -2.199 -1.722 0.196 218 HG11 VAL 27 1HG1 VAL 27 -1.233 -1.680 2.432 219 HG12 VAL 27 2HG1 VAL 27 -2.320 -0.309 2.212 220 HG13 VAL 27 3HG1 VAL 27 -0.573 -0.068 2.149 221 HG21 VAL 27 1HG2 VAL 27 -1.824 0.030 -1.475 222 HG22 VAL 27 2HG2 VAL 27 -0.927 0.995 -0.300 223 HG23 VAL 27 3HG2 VAL 27 -2.652 0.701 -0.067 224 H ILE 28 H ILE 28 -1.366 -3.684 -1.082 225 HA ILE 28 HA ILE 28 -0.892 -2.936 -3.917 226 HB ILE 28 HB ILE 28 -0.446 -5.237 -4.565 227 HG12 ILE 28 2HG1 ILE 28 0.122 -6.832 -2.371 228 HG13 ILE 28 1HG1 ILE 28 -1.259 -5.941 -1.755 229 HG21 ILE 28 1HG2 ILE 28 1.290 -4.330 -2.249 230 HG22 ILE 28 2HG2 ILE 28 1.474 -3.898 -3.951 231 HG23 ILE 28 3HG2 ILE 28 1.746 -5.556 -3.427 232 HD11 ILE 28 1HD1 ILE 28 -1.218 -7.613 -4.266 233 HD12 ILE 28 2HD1 ILE 28 -2.620 -6.761 -3.608 234 HD13 ILE 28 3HD1 ILE 28 -1.887 -8.087 -2.705 235 H LEU 29 H LEU 29 -2.595 -3.000 -5.217 236 HA LEU 29 HA LEU 29 -5.222 -3.602 -4.131 237 HB2 LEU 29 2HB LEU 29 -4.206 -2.216 -6.584 238 HB3 LEU 29 1HB LEU 29 -5.760 -3.001 -6.755 239 HG LEU 29 HG LEU 29 -6.056 -0.633 -6.226 240 HD11 LEU 29 1HD1 LEU 29 -7.595 -0.797 -4.335 241 HD12 LEU 29 2HD1 LEU 29 -6.910 -2.359 -3.882 242 HD13 LEU 29 3HD1 LEU 29 -7.768 -2.180 -5.415 243 HD21 LEU 29 1HD2 LEU 29 -5.392 0.338 -4.053 244 HD22 LEU 29 2HD2 LEU 29 -4.003 -0.165 -5.009 245 HD23 LEU 29 3HD2 LEU 29 -4.537 -1.155 -3.654 246 H HIS 30 H HIS 30 -2.930 -5.063 -6.317 247 HA HIS 30 HA HIS 30 -3.944 -7.658 -6.033 248 HB2 HIS 30 2HB HIS 30 -5.776 -6.924 -7.564 249 HB3 HIS 30 1HB HIS 30 -4.590 -6.420 -8.762 250 HD1 HIS 30 HD1 HIS 30 -5.968 -9.549 -7.122 251 HD2 HIS 30 HD2 HIS 30 -3.764 -8.465 -10.477 252 HE1 HIS 30 HE1 HIS 30 -5.782 -11.622 -8.508 253 HE2 HIS 30 HE2 HIS 30 -4.633 -10.891 -10.614 254 H HIS 31 H HIS 31 -2.638 -6.003 -8.904 255 HA HIS 31 HA HIS 31 -0.221 -7.689 -8.815 256 HB2 HIS 31 2HB HIS 31 -1.523 -7.714 -10.921 257 HB3 HIS 31 1HB HIS 31 -1.385 -5.964 -11.047 258 HD1 HIS 31 HD1 HIS 31 0.507 -9.132 -11.631 259 HD2 HIS 31 HD2 HIS 31 1.164 -5.039 -11.943 260 HE1 HIS 31 HE1 HIS 31 2.670 -8.875 -12.876 261 HE2 HIS 31 HE2 HIS 31 3.111 -6.410 -12.920 262 H LYS 32 H LYS 32 -1.352 -4.352 -8.733 263 HA LYS 32 HA LYS 32 1.391 -3.323 -8.949 264 HB2 LYS 32 2HB LYS 32 -1.304 -1.947 -9.216 265 HB3 LYS 32 1HB LYS 32 0.233 -1.078 -9.194 266 HG2 LYS 32 2HG LYS 32 0.963 -2.374 -11.194 267 HG3 LYS 32 1HG LYS 32 -0.628 -3.141 -11.253 268 HD2 LYS 32 2HD LYS 32 -0.098 -0.152 -11.493 269 HD3 LYS 32 1HD LYS 32 -0.432 -1.233 -12.839 270 HE2 LYS 32 2HE LYS 32 -2.688 -1.666 -11.977 271 HE3 LYS 32 1HE LYS 32 -2.355 -0.694 -10.543 272 HZ1 LYS 32 1HZ LYS 32 -2.518 0.286 -13.346 273 HZ2 LYS 32 2HZ LYS 32 -2.060 1.237 -12.030 274 HZ3 LYS 32 3HZ LYS 32 -3.618 0.590 -12.100 275 H VAL 33 H VAL 33 2.187 -1.778 -7.549 276 HA VAL 33 HA VAL 33 1.143 -1.887 -4.783 277 HB VAL 33 HB VAL 33 3.367 -2.935 -5.050 278 HG11 VAL 33 1HG1 VAL 33 4.154 -1.668 -7.016 279 HG12 VAL 33 2HG1 VAL 33 5.346 -1.668 -5.720 280 HG13 VAL 33 3HG1 VAL 33 4.364 -0.232 -6.011 281 HG21 VAL 33 1HG2 VAL 33 2.871 -1.818 -2.913 282 HG22 VAL 33 2HG2 VAL 33 3.537 -0.304 -3.532 283 HG23 VAL 33 3HG2 VAL 33 4.593 -1.701 -3.295 284 H TYR 34 H TYR 34 1.024 0.018 -3.625 285 HA TYR 34 HA TYR 34 1.218 2.564 -5.100 286 HB2 TYR 34 2HB TYR 34 -1.088 1.549 -3.367 287 HB3 TYR 34 1HB TYR 34 -0.932 3.224 -3.902 288 HD1 TYR 34 HD1 TYR 34 -1.462 3.859 -6.165 289 HD2 TYR 34 HD2 TYR 34 -1.479 -0.277 -5.101 290 HE1 TYR 34 HE1 TYR 34 -2.534 3.311 -8.296 291 HE2 TYR 34 HE2 TYR 34 -2.561 -0.821 -7.241 292 HH TYR 34 HH TYR 34 -3.956 0.333 -8.940 293 H ASP 35 H ASP 35 1.981 4.270 -3.953 294 HA ASP 35 HA ASP 35 3.600 3.738 -1.723 295 HB2 ASP 35 2HB ASP 35 4.146 5.473 -3.475 296 HB3 ASP 35 1HB ASP 35 2.853 6.474 -2.826 297 H LEU 36 H LEU 36 2.713 3.327 0.168 298 HA LEU 36 HA LEU 36 0.347 4.786 1.097 299 HB2 LEU 36 2HB LEU 36 0.873 2.143 1.170 300 HB3 LEU 36 1HB LEU 36 1.658 2.575 2.671 301 HG LEU 36 HG LEU 36 -0.607 1.753 3.077 302 HD11 LEU 36 1HD1 LEU 36 0.251 3.467 4.590 303 HD12 LEU 36 2HD1 LEU 36 -1.497 3.530 4.427 304 HD13 LEU 36 3HD1 LEU 36 -0.495 4.722 3.597 305 HD21 LEU 36 1HD2 LEU 36 -2.594 2.891 2.271 306 HD22 LEU 36 2HD2 LEU 36 -1.604 2.369 0.915 307 HD23 LEU 36 3HD2 LEU 36 -1.606 4.062 1.394 308 H THR 37 H THR 37 3.754 4.630 1.409 309 HA THR 37 HA THR 37 4.484 5.538 3.861 310 HB THR 37 HB THR 37 5.589 6.302 1.125 311 HG1 THR 37 HG1 THR 37 5.591 4.027 2.330 312 HG21 THR 37 1HG2 THR 37 6.411 7.984 2.720 313 HG22 THR 37 2HG2 THR 37 7.718 6.891 2.260 314 HG23 THR 37 3HG2 THR 37 6.931 6.712 3.829 315 H LYS 38 H LYS 38 3.291 7.566 1.175 316 HA LYS 38 HA LYS 38 3.231 9.956 2.899 317 HB2 LYS 38 2HB LYS 38 4.156 9.764 0.418 318 HB3 LYS 38 1HB LYS 38 2.475 9.928 -0.032 319 HG2 LYS 38 2HG LYS 38 3.913 11.972 1.683 320 HG3 LYS 38 1HG LYS 38 3.932 12.025 -0.072 321 HD2 LYS 38 2HD LYS 38 2.043 13.275 0.015 322 HD3 LYS 38 1HD LYS 38 1.185 11.843 0.565 323 HE2 LYS 38 2HE LYS 38 1.544 12.489 2.891 324 HE3 LYS 38 1HE LYS 38 2.518 13.866 2.388 325 HZ1 LYS 38 1HZ LYS 38 0.237 14.490 2.956 326 HZ2 LYS 38 2HZ LYS 38 -0.361 13.490 1.730 327 HZ3 LYS 38 3HZ LYS 38 0.588 14.837 1.341 328 H PHE 39 H PHE 39 1.094 7.566 1.482 329 HA PHE 39 HA PHE 39 -1.312 9.061 1.426 330 HB2 PHE 39 2HB PHE 39 -0.997 6.935 0.182 331 HB3 PHE 39 1HB PHE 39 -0.962 6.045 1.698 332 HD1 PHE 39 HD1 PHE 39 -3.011 5.265 2.680 333 HD2 PHE 39 HD2 PHE 39 -3.169 8.189 -0.444 334 HE1 PHE 39 HE1 PHE 39 -5.445 4.988 2.539 335 HE2 PHE 39 HE2 PHE 39 -5.606 7.903 -0.568 336 HZ PHE 39 HZ PHE 39 -6.741 6.305 0.918 337 H LEU 40 H LEU 40 0.251 7.243 4.033 338 HA LEU 40 HA LEU 40 -1.971 7.511 5.862 339 HB2 LEU 40 2HB LEU 40 -0.413 6.577 7.556 340 HB3 LEU 40 1HB LEU 40 -0.574 5.600 6.114 341 HG LEU 40 HG LEU 40 1.686 6.767 5.367 342 HD11 LEU 40 1HD1 LEU 40 1.750 8.415 7.195 343 HD12 LEU 40 2HD1 LEU 40 3.175 7.389 7.158 344 HD13 LEU 40 3HD1 LEU 40 1.917 7.103 8.363 345 HD21 LEU 40 1HD2 LEU 40 1.484 4.370 5.809 346 HD22 LEU 40 2HD2 LEU 40 1.666 4.653 7.541 347 HD23 LEU 40 3HD2 LEU 40 3.004 5.000 6.444 348 H GLU 41 H GLU 41 0.871 9.365 5.048 349 HA GLU 41 HA GLU 41 0.852 11.188 7.249 350 HB2 GLU 41 2HB GLU 41 1.912 11.544 4.413 351 HB3 GLU 41 1HB GLU 41 2.277 12.609 5.765 352 HG2 GLU 41 2HG GLU 41 3.007 9.668 5.718 353 HG3 GLU 41 1HG GLU 41 4.070 10.934 5.115 354 H GLU 42 H GLU 42 -1.027 10.819 4.361 355 HA GLU 42 HA GLU 42 -2.031 13.449 4.051 356 HB2 GLU 42 2HB GLU 42 -2.151 11.310 2.472 357 HB3 GLU 42 1HB GLU 42 -3.652 10.988 3.324 358 HG2 GLU 42 2HG GLU 42 -4.162 12.138 1.269 359 HG3 GLU 42 1HG GLU 42 -4.495 13.227 2.615 360 H PHE 43 H PHE 43 -2.865 10.808 6.189 361 HA PHE 43 HA PHE 43 -5.283 12.072 7.250 362 HB2 PHE 43 2HB PHE 43 -3.835 9.583 8.279 363 HB3 PHE 43 1HB PHE 43 -5.505 10.053 8.602 364 HD1 PHE 43 HD1 PHE 43 -3.680 7.716 6.839 365 HD2 PHE 43 HD2 PHE 43 -6.798 10.578 6.205 366 HE1 PHE 43 HE1 PHE 43 -4.427 6.488 4.852 367 HE2 PHE 43 HE2 PHE 43 -7.533 9.330 4.234 368 HZ PHE 43 HZ PHE 43 -6.350 7.297 3.559 369 HA PRO 44 HA PRO 44 -3.028 14.135 10.619 370 HB2 PRO 44 2HB PRO 44 -4.992 14.253 12.554 371 HB3 PRO 44 1HB PRO 44 -4.998 15.299 11.116 372 HG2 PRO 44 2HG PRO 44 -6.514 12.742 11.587 373 HG3 PRO 44 1HG PRO 44 -7.095 14.277 10.899 374 HD2 PRO 44 2HD PRO 44 -6.430 12.183 9.317 375 HD3 PRO 44 1HD PRO 44 -6.134 13.861 8.804 376 H GLY 45 H GLY 45 -1.631 12.228 10.757 377 HA2 GLY 45 2HA GLY 45 -0.555 10.537 11.861 378 HA3 GLY 45 1HA GLY 45 -1.502 10.948 13.285 379 H GLY 46 H GLY 46 -1.870 9.366 10.098 380 HA2 GLY 46 2HA GLY 46 -3.826 7.464 11.297 381 HA3 GLY 46 1HA GLY 46 -3.958 8.119 9.671 382 H GLU 47 H GLU 47 -0.910 7.031 11.120 383 HA GLU 47 HA GLU 47 -0.462 5.039 9.095 384 HB2 GLU 47 2HB GLU 47 1.419 6.206 10.237 385 HB3 GLU 47 1HB GLU 47 0.973 5.437 11.757 386 HG2 GLU 47 2HG GLU 47 1.351 3.182 10.492 387 HG3 GLU 47 1HG GLU 47 2.172 4.163 9.280 388 H GLU 48 H GLU 48 -1.301 4.951 12.537 389 HA GLU 48 HA GLU 48 -1.140 2.253 13.084 390 HB2 GLU 48 2HB GLU 48 -2.646 2.751 15.005 391 HB3 GLU 48 1HB GLU 48 -1.364 3.942 14.808 392 HG2 GLU 48 2HG GLU 48 -3.038 5.406 13.579 393 HG3 GLU 48 1HG GLU 48 -4.287 4.259 14.059 394 H VAL 49 H VAL 49 -3.865 3.939 11.579 395 HA VAL 49 HA VAL 49 -5.815 1.903 12.039 396 HB VAL 49 HB VAL 49 -6.385 4.293 11.771 397 HG11 VAL 49 1HG1 VAL 49 -6.442 5.394 9.577 398 HG12 VAL 49 2HG1 VAL 49 -5.686 3.983 8.834 399 HG13 VAL 49 3HG1 VAL 49 -4.795 4.937 10.022 400 HG21 VAL 49 1HG2 VAL 49 -8.399 4.047 10.379 401 HG22 VAL 49 2HG2 VAL 49 -8.155 2.633 11.404 402 HG23 VAL 49 3HG2 VAL 49 -7.751 2.555 9.688 403 H LEU 50 H LEU 50 -3.398 2.342 9.580 404 HA LEU 50 HA LEU 50 -4.708 0.354 7.787 405 HB2 LEU 50 2HB LEU 50 -3.337 1.537 5.952 406 HB3 LEU 50 1HB LEU 50 -4.742 2.356 6.600 407 HG LEU 50 HG LEU 50 -3.130 3.690 8.096 408 HD11 LEU 50 1HD1 LEU 50 -1.143 2.350 7.939 409 HD12 LEU 50 2HD1 LEU 50 -0.813 3.942 7.268 410 HD13 LEU 50 3HD1 LEU 50 -1.069 2.565 6.192 411 HD21 LEU 50 1HD2 LEU 50 -3.002 4.118 5.094 412 HD22 LEU 50 2HD2 LEU 50 -2.640 5.324 6.334 413 HD23 LEU 50 3HD2 LEU 50 -4.272 4.684 6.182 414 H ARG 51 H ARG 51 -1.954 1.018 9.674 415 HA ARG 51 HA ARG 51 0.095 -0.284 8.224 416 HB2 ARG 51 2HB ARG 51 0.410 1.407 10.047 417 HB3 ARG 51 1HB ARG 51 -0.131 0.231 11.228 418 HG2 ARG 51 2HG ARG 51 2.261 -0.451 9.526 419 HG3 ARG 51 1HG ARG 51 2.463 0.746 10.802 420 HD2 ARG 51 2HD ARG 51 1.753 -0.881 12.487 421 HD3 ARG 51 1HD ARG 51 1.419 -2.081 11.237 422 HE ARG 51 HE ARG 51 4.028 -1.535 10.818 423 HH11 ARG 51 1HH1 ARG 51 2.325 -2.322 13.799 424 HH12 ARG 51 2HH1 ARG 51 3.698 -3.095 14.517 425 HH21 ARG 51 1HH2 ARG 51 5.778 -2.632 11.736 426 HH22 ARG 51 2HH2 ARG 51 5.664 -3.271 13.340 427 H GLU 52 H GLU 52 -2.480 -1.458 10.194 428 HA GLU 52 HA GLU 52 -1.544 -4.048 10.837 429 HB2 GLU 52 2HB GLU 52 -3.484 -2.841 11.903 430 HB3 GLU 52 1HB GLU 52 -4.420 -3.124 10.440 431 HG2 GLU 52 2HG GLU 52 -4.165 -5.591 10.814 432 HG3 GLU 52 1HG GLU 52 -3.340 -5.236 12.334 433 H GLN 53 H GLN 53 -3.614 -2.876 8.134 434 HA GLN 53 HA GLN 53 -3.541 -5.499 6.807 435 HB2 GLN 53 2HB GLN 53 -5.192 -3.000 6.458 436 HB3 GLN 53 1HB GLN 53 -5.029 -4.078 5.082 437 HG2 GLN 53 2HG GLN 53 -7.099 -4.499 6.305 438 HG3 GLN 53 1HG GLN 53 -6.042 -5.904 6.326 439 HE21 GLN 53 1HE2 GLN 53 -7.372 -3.298 8.242 440 HE22 GLN 53 2HE2 GLN 53 -7.013 -3.992 9.785 441 H ALA 54 H ALA 54 -1.618 -2.749 6.779 442 HA ALA 54 HA ALA 54 -0.916 -2.536 4.036 443 HB1 ALA 54 1HB ALA 54 -0.364 -0.787 5.675 444 HB2 ALA 54 2HB ALA 54 1.089 -1.345 4.843 445 HB3 ALA 54 3HB ALA 54 0.752 -1.886 6.490 446 H GLY 55 H GLY 55 1.101 -3.262 3.009 447 HA2 GLY 55 2HA GLY 55 2.613 -4.881 2.376 448 HA3 GLY 55 1HA GLY 55 2.708 -5.374 4.060 449 H GLY 56 H GLY 56 -0.287 -5.342 2.203 450 HA2 GLY 56 2HA GLY 56 -0.254 -7.995 1.233 451 HA3 GLY 56 1HA GLY 56 -1.043 -7.969 2.806 452 H ASP 57 H ASP 57 -2.659 -5.953 2.950 453 HA ASP 57 HA ASP 57 -4.535 -6.327 0.699 454 HB2 ASP 57 2HB ASP 57 -5.395 -7.010 2.914 455 HB3 ASP 57 1HB ASP 57 -5.057 -5.401 3.556 456 H ALA 58 H ALA 58 -5.612 -4.653 -0.222 457 HA ALA 58 HA ALA 58 -5.451 -1.922 0.689 458 HB1 ALA 58 1HB ALA 58 -4.610 -0.938 -1.352 459 HB2 ALA 58 2HB ALA 58 -4.487 -2.523 -2.122 460 HB3 ALA 58 3HB ALA 58 -3.434 -2.117 -0.773 461 H THR 59 H THR 59 -6.853 -4.482 -1.086 462 HA THR 59 HA THR 59 -8.622 -3.208 -2.839 463 HB THR 59 HB THR 59 -9.953 -5.293 -2.801 464 HG1 THR 59 HG1 THR 59 -8.270 -6.194 -0.675 465 HG21 THR 59 1HG2 THR 59 -8.201 -6.917 -3.410 466 HG22 THR 59 2HG2 THR 59 -6.974 -5.884 -2.675 467 HG23 THR 59 3HG2 THR 59 -7.857 -5.328 -4.100 468 H GLU 60 H GLU 60 -8.963 -4.145 0.545 469 HA GLU 60 HA GLU 60 -11.453 -2.615 0.859 470 HB2 GLU 60 2HB GLU 60 -9.945 -4.403 2.827 471 HB3 GLU 60 1HB GLU 60 -11.543 -3.699 3.086 472 HG2 GLU 60 2HG GLU 60 -12.457 -5.031 1.231 473 HG3 GLU 60 1HG GLU 60 -10.858 -5.691 0.897 474 H ASN 61 H ASN 61 -8.166 -2.888 2.249 475 HA ASN 61 HA ASN 61 -8.369 -1.043 4.299 476 HB2 ASN 61 2HB ASN 61 -6.563 -2.661 4.195 477 HB3 ASN 61 1HB ASN 61 -5.916 -1.926 2.733 478 HD21 ASN 61 1HD2 ASN 61 -4.558 -0.163 2.925 479 HD22 ASN 61 2HD2 ASN 61 -4.029 0.471 4.437 480 H PHE 62 H PHE 62 -6.923 -0.403 1.080 481 HA PHE 62 HA PHE 62 -5.907 2.149 1.625 482 HB2 PHE 62 2HB PHE 62 -5.257 0.658 -0.291 483 HB3 PHE 62 1HB PHE 62 -6.787 1.015 -1.071 484 HD1 PHE 62 HD1 PHE 62 -3.477 2.373 -0.144 485 HD2 PHE 62 HD2 PHE 62 -7.101 3.143 -2.275 486 HE1 PHE 62 HE1 PHE 62 -2.400 4.259 -1.291 487 HE2 PHE 62 HE2 PHE 62 -6.014 5.028 -3.410 488 HZ PHE 62 HZ PHE 62 -3.668 5.588 -2.928 489 H GLU 63 H GLU 63 -9.149 1.159 0.715 490 HA GLU 63 HA GLU 63 -10.052 3.918 0.211 491 HB2 GLU 63 2HB GLU 63 -10.712 2.074 -1.366 492 HB3 GLU 63 1HB GLU 63 -11.600 1.306 -0.054 493 HG2 GLU 63 2HG GLU 63 -13.042 3.354 0.102 494 HG3 GLU 63 1HG GLU 63 -12.196 4.015 -1.298 495 H ASP 64 H ASP 64 -10.313 1.313 2.540 496 HA ASP 64 HA ASP 64 -12.624 2.169 3.981 497 HB2 ASP 64 2HB ASP 64 -11.673 -0.175 4.001 498 HB3 ASP 64 1HB ASP 64 -10.296 0.409 4.923 499 H VAL 65 H VAL 65 -9.191 2.215 4.826 500 HA VAL 65 HA VAL 65 -9.375 4.055 6.997 501 HB VAL 65 HB VAL 65 -6.964 4.008 7.055 502 HG11 VAL 65 1HG1 VAL 65 -7.976 1.274 6.183 503 HG12 VAL 65 2HG1 VAL 65 -8.061 1.951 7.811 504 HG13 VAL 65 3HG1 VAL 65 -6.494 1.583 7.096 505 HG21 VAL 65 1HG2 VAL 65 -7.032 2.871 4.229 506 HG22 VAL 65 2HG2 VAL 65 -5.586 2.966 5.231 507 HG23 VAL 65 3HG2 VAL 65 -6.402 4.443 4.726 508 H GLY 66 H GLY 66 -9.116 4.332 3.575 509 HA2 GLY 66 2HA GLY 66 -7.940 6.893 3.326 510 HA3 GLY 66 1HA GLY 66 -8.823 6.012 2.097 511 H PHE 67 H PHE 67 -8.964 8.774 2.397 512 HA PHE 67 HA PHE 67 -11.468 9.573 3.514 513 HB2 PHE 67 2HB PHE 67 -9.990 10.742 1.125 514 HB3 PHE 67 1HB PHE 67 -11.259 11.538 2.039 515 HD1 PHE 67 HD1 PHE 67 -7.795 11.420 1.561 516 HD2 PHE 67 HD2 PHE 67 -10.699 11.713 4.698 517 HE1 PHE 67 HE1 PHE 67 -6.128 12.484 3.019 518 HE2 PHE 67 HE2 PHE 67 -9.012 12.775 6.144 519 HZ PHE 67 HZ PHE 67 -6.728 13.165 5.303 520 H SER 68 H SER 68 -13.513 9.548 2.557 521 HA SER 68 HA SER 68 -14.271 7.268 1.296 522 HB2 SER 68 2HB SER 68 -15.752 9.920 1.276 523 HB3 SER 68 1HB SER 68 -16.487 8.348 0.955 524 HG SER 68 HG SER 68 -15.105 8.227 3.258 525 H THR 69 H THR 69 -13.958 10.405 -0.413 526 HA THR 69 HA THR 69 -14.171 9.030 -3.007 527 HB THR 69 HB THR 69 -14.271 11.372 -3.952 528 HG1 THR 69 HG1 THR 69 -13.914 13.032 -2.697 529 HG21 THR 69 1HG2 THR 69 -16.551 11.894 -3.161 530 HG22 THR 69 2HG2 THR 69 -16.341 10.785 -1.805 531 HG23 THR 69 3HG2 THR 69 -16.366 10.161 -3.455 532 H ASP 70 H ASP 70 -11.978 11.152 -1.134 533 HA ASP 70 HA ASP 70 -10.138 11.797 -3.118 534 HB2 ASP 70 2HB ASP 70 -9.506 11.486 -0.154 535 HB3 ASP 70 1HB ASP 70 -8.519 12.349 -1.327 536 H ALA 71 H ALA 71 -10.010 9.079 -0.802 537 HA ALA 71 HA ALA 71 -7.486 8.044 -1.271 538 HB1 ALA 71 1HB ALA 71 -8.998 7.231 0.503 539 HB2 ALA 71 2HB ALA 71 -8.330 5.898 -0.437 540 HB3 ALA 71 3HB ALA 71 -9.997 6.424 -0.706 541 H ARG 72 H ARG 72 -10.411 7.584 -3.136 542 HA ARG 72 HA ARG 72 -9.581 5.381 -4.731 543 HB2 ARG 72 2HB ARG 72 -11.709 7.461 -5.366 544 HB3 ARG 72 1HB ARG 72 -11.607 5.821 -6.008 545 HG2 ARG 72 2HG ARG 72 -12.035 4.908 -3.746 546 HG3 ARG 72 1HG ARG 72 -12.128 6.556 -3.105 547 HD2 ARG 72 2HD ARG 72 -14.372 5.666 -3.470 548 HD3 ARG 72 1HD ARG 72 -14.060 7.009 -4.572 549 HE ARG 72 HE ARG 72 -13.751 5.418 -6.359 550 HH11 ARG 72 1HH1 ARG 72 -15.288 4.136 -3.465 551 HH12 ARG 72 2HH1 ARG 72 -15.988 2.787 -4.291 552 HH21 ARG 72 1HH2 ARG 72 -14.541 3.566 -7.399 553 HH22 ARG 72 2HH2 ARG 72 -15.557 2.464 -6.533 554 H GLU 73 H GLU 73 -9.638 8.915 -5.278 555 HA GLU 73 HA GLU 73 -8.325 8.700 -7.882 556 HB2 GLU 73 2HB GLU 73 -8.517 11.137 -7.987 557 HB3 GLU 73 1HB GLU 73 -10.059 10.428 -7.523 558 HG2 GLU 73 2HG GLU 73 -9.594 11.002 -5.152 559 HG3 GLU 73 1HG GLU 73 -8.083 11.765 -5.644 560 H LEU 74 H LEU 74 -7.325 8.904 -4.608 561 HA LEU 74 HA LEU 74 -4.725 10.054 -5.123 562 HB2 LEU 74 2HB LEU 74 -5.881 8.605 -2.707 563 HB3 LEU 74 1HB LEU 74 -4.200 9.107 -2.779 564 HG LEU 74 HG LEU 74 -6.615 10.963 -2.847 565 HD11 LEU 74 1HD1 LEU 74 -5.830 11.767 -0.673 566 HD12 LEU 74 2HD1 LEU 74 -4.511 10.592 -0.693 567 HD13 LEU 74 3HD1 LEU 74 -6.188 10.041 -0.618 568 HD21 LEU 74 1HD2 LEU 74 -4.847 11.860 -4.267 569 HD22 LEU 74 2HD2 LEU 74 -3.668 11.675 -2.965 570 HD23 LEU 74 3HD2 LEU 74 -5.003 12.818 -2.797 571 H SER 75 H SER 75 -6.189 6.900 -5.337 572 HA SER 75 HA SER 75 -3.952 5.217 -5.293 573 HB2 SER 75 2HB SER 75 -6.358 4.480 -5.395 574 HB3 SER 75 1HB SER 75 -6.395 4.932 -7.097 575 HG SER 75 HG SER 75 -4.861 3.343 -7.507 576 H LYS 76 H LYS 76 -5.428 6.906 -8.094 577 HA LYS 76 HA LYS 76 -3.414 6.113 -9.963 578 HB2 LYS 76 2HB LYS 76 -4.461 7.802 -11.490 579 HB3 LYS 76 1HB LYS 76 -5.602 6.640 -10.828 580 HG2 LYS 76 2HG LYS 76 -6.689 8.215 -9.520 581 HG3 LYS 76 1HG LYS 76 -5.282 9.260 -9.387 582 HD2 LYS 76 2HD LYS 76 -6.620 8.952 -12.082 583 HD3 LYS 76 1HD LYS 76 -7.377 9.970 -10.856 584 HE2 LYS 76 2HE LYS 76 -5.922 11.264 -12.404 585 HE3 LYS 76 1HE LYS 76 -5.406 11.385 -10.725 586 HZ1 LYS 76 1HZ LYS 76 -3.577 11.087 -12.346 587 HZ2 LYS 76 2HZ LYS 76 -4.167 9.544 -12.705 588 HZ3 LYS 76 3HZ LYS 76 -3.609 9.894 -11.148 589 H LYS 77 H LYS 77 -3.202 8.391 -7.475 590 HA LYS 77 HA LYS 77 -1.098 9.981 -8.789 591 HB2 LYS 77 2HB LYS 77 -2.905 11.029 -7.267 592 HB3 LYS 77 1HB LYS 77 -2.108 10.253 -5.908 593 HG2 LYS 77 2HG LYS 77 -0.726 12.226 -7.763 594 HG3 LYS 77 1HG LYS 77 -1.564 12.709 -6.293 595 HD2 LYS 77 2HD LYS 77 0.014 11.421 -4.924 596 HD3 LYS 77 1HD LYS 77 0.786 10.775 -6.371 597 HE2 LYS 77 2HE LYS 77 2.203 12.503 -5.554 598 HE3 LYS 77 1HE LYS 77 1.407 13.144 -6.988 599 HZ1 LYS 77 1HZ LYS 77 0.683 13.721 -4.165 600 HZ2 LYS 77 2HZ LYS 77 -0.166 14.283 -5.511 601 HZ3 LYS 77 3HZ LYS 77 1.425 14.784 -5.253 602 H TYR 78 H TYR 78 -1.615 7.635 -6.174 603 HA TYR 78 HA TYR 78 1.198 7.647 -5.404 604 HB2 TYR 78 2HB TYR 78 -1.269 6.326 -4.182 605 HB3 TYR 78 1HB TYR 78 0.362 6.019 -3.593 606 HD1 TYR 78 HD1 TYR 78 -2.495 8.048 -3.113 607 HD2 TYR 78 HD2 TYR 78 1.767 8.220 -2.988 608 HE1 TYR 78 HE1 TYR 78 -2.621 10.035 -1.681 609 HE2 TYR 78 HE2 TYR 78 1.630 10.210 -1.565 610 HH TYR 78 HH TYR 78 -1.307 11.276 -0.126 611 H ILE 79 H ILE 79 -0.046 6.385 -7.970 612 HA ILE 79 HA ILE 79 0.683 3.633 -7.790 613 HB ILE 79 HB ILE 79 -0.807 4.275 -9.561 614 HG12 ILE 79 2HG1 ILE 79 0.315 3.322 -11.576 615 HG13 ILE 79 1HG1 ILE 79 1.879 3.508 -10.790 616 HG21 ILE 79 1HG2 ILE 79 1.325 6.121 -10.668 617 HG22 ILE 79 2HG2 ILE 79 -0.170 6.614 -9.872 618 HG23 ILE 79 3HG2 ILE 79 -0.234 5.775 -11.424 619 HD11 ILE 79 1HD1 ILE 79 -0.370 1.759 -9.792 620 HD12 ILE 79 2HD1 ILE 79 1.254 1.885 -9.101 621 HD13 ILE 79 3HD1 ILE 79 1.029 1.212 -10.715 622 H ILE 80 H ILE 80 2.617 3.427 -6.832 623 HA ILE 80 HA ILE 80 4.962 4.971 -7.659 624 HB ILE 80 HB ILE 80 4.442 4.597 -5.219 625 HG12 ILE 80 2HG1 ILE 80 7.138 3.419 -6.050 626 HG13 ILE 80 1HG1 ILE 80 6.770 5.138 -5.992 627 HG21 ILE 80 1HG2 ILE 80 5.218 1.707 -5.727 628 HG22 ILE 80 2HG2 ILE 80 3.599 2.290 -5.338 629 HG23 ILE 80 3HG2 ILE 80 4.896 2.435 -4.149 630 HD11 ILE 80 1HD1 ILE 80 6.811 3.260 -3.626 631 HD12 ILE 80 2HD1 ILE 80 6.418 4.982 -3.573 632 HD13 ILE 80 3HD1 ILE 80 8.033 4.461 -4.049 633 H GLY 81 H GLY 81 3.500 1.926 -8.293 634 HA2 GLY 81 2HA GLY 81 4.967 1.201 -10.444 635 HA3 GLY 81 1HA GLY 81 5.898 0.538 -9.108 636 H GLU 82 H GLU 82 5.537 -1.525 -9.856 637 HA GLU 82 HA GLU 82 2.845 -2.594 -9.298 638 HB2 GLU 82 2HB GLU 82 3.290 -4.308 -11.069 639 HB3 GLU 82 1HB GLU 82 3.133 -2.665 -11.686 640 HG2 GLU 82 2HG GLU 82 5.617 -2.497 -11.792 641 HG3 GLU 82 1HG GLU 82 5.728 -4.182 -11.276 642 H LEU 83 H LEU 83 2.801 -4.260 -7.930 643 HA LEU 83 HA LEU 83 5.120 -5.192 -6.562 644 HB2 LEU 83 2HB LEU 83 2.595 -5.083 -5.813 645 HB3 LEU 83 1HB LEU 83 2.429 -6.640 -6.593 646 HG LEU 83 HG LEU 83 2.727 -6.816 -4.132 647 HD11 LEU 83 1HD1 LEU 83 4.433 -8.488 -3.982 648 HD12 LEU 83 2HD1 LEU 83 5.159 -7.952 -5.497 649 HD13 LEU 83 3HD1 LEU 83 3.554 -8.678 -5.494 650 HD21 LEU 83 1HD2 LEU 83 5.444 -5.570 -4.560 651 HD22 LEU 83 2HD2 LEU 83 4.797 -6.189 -3.036 652 HD23 LEU 83 3HD2 LEU 83 4.047 -4.793 -3.806 653 H HIS 84 H HIS 84 6.045 -7.284 -6.688 654 HA HIS 84 HA HIS 84 6.599 -8.252 -9.257 655 HB2 HIS 84 2HB HIS 84 8.047 -8.414 -7.145 656 HB3 HIS 84 1HB HIS 84 7.031 -9.762 -6.646 657 HD1 HIS 84 HD1 HIS 84 7.826 -12.011 -7.414 658 HD2 HIS 84 HD2 HIS 84 9.388 -8.897 -9.678 659 HE1 HIS 84 HE1 HIS 84 9.399 -13.094 -9.046 660 HE2 HIS 84 HE2 HIS 84 10.522 -11.156 -10.195 661 HA PRO 85 HA PRO 85 2.704 -10.355 -9.994 662 HB2 PRO 85 2HB PRO 85 3.762 -12.267 -11.859 663 HB3 PRO 85 1HB PRO 85 3.038 -10.692 -12.228 664 HG2 PRO 85 2HG PRO 85 5.912 -11.425 -11.994 665 HG3 PRO 85 1HG PRO 85 5.137 -10.216 -13.037 666 HD2 PRO 85 2HD PRO 85 6.553 -9.487 -10.869 667 HD3 PRO 85 1HD PRO 85 5.090 -8.598 -11.336 668 H ASP 86 H ASP 86 5.543 -12.228 -9.098 669 HA ASP 86 HA ASP 86 4.146 -14.626 -8.346 670 HB2 ASP 86 2HB ASP 86 6.573 -14.533 -9.036 671 HB3 ASP 86 1HB ASP 86 6.935 -13.687 -7.536 672 H ASP 87 H ASP 87 5.455 -11.822 -6.573 673 HA ASP 87 HA ASP 87 5.100 -13.026 -3.978 674 HB2 ASP 87 2HB ASP 87 6.021 -10.288 -4.906 675 HB3 ASP 87 1HB ASP 87 5.812 -10.639 -3.193 676 H ARG 88 H ARG 88 3.184 -10.869 -5.943 677 HA ARG 88 HA ARG 88 1.427 -9.957 -3.883 678 HB2 ARG 88 2HB ARG 88 -0.024 -9.230 -5.768 679 HB3 ARG 88 1HB ARG 88 1.642 -8.709 -5.941 680 HG2 ARG 88 2HG ARG 88 1.269 -9.396 -8.101 681 HG3 ARG 88 1HG ARG 88 1.828 -10.922 -7.428 682 HD2 ARG 88 2HD ARG 88 -0.605 -11.540 -7.054 683 HD3 ARG 88 1HD ARG 88 -1.043 -10.086 -7.954 684 HE ARG 88 HE ARG 88 0.738 -11.675 -9.471 685 HH11 ARG 88 1HH1 ARG 88 -2.615 -11.658 -8.395 686 HH12 ARG 88 2HH1 ARG 88 -3.168 -12.601 -9.746 687 HH21 ARG 88 1HH2 ARG 88 -0.009 -12.947 -11.194 688 HH22 ARG 88 2HH2 ARG 88 -1.695 -13.329 -11.324 689 H SER 89 H SER 89 1.587 -12.814 -5.852 690 HA SER 89 HA SER 89 -1.028 -13.837 -5.124 691 HB2 SER 89 2HB SER 89 -0.053 -14.294 -7.352 692 HB3 SER 89 1HB SER 89 1.292 -15.151 -6.601 693 HG SER 89 HG SER 89 -1.419 -15.889 -6.796 694 H LYS 90 H LYS 90 2.320 -14.162 -4.058 695 HA LYS 90 HA LYS 90 2.109 -16.452 -2.430 696 HB2 LYS 90 2HB LYS 90 3.961 -14.043 -2.306 697 HB3 LYS 90 1HB LYS 90 4.104 -15.382 -1.174 698 HG2 LYS 90 2HG LYS 90 4.667 -16.923 -2.946 699 HG3 LYS 90 1HG LYS 90 4.314 -15.712 -4.185 700 HD2 LYS 90 2HD LYS 90 6.762 -15.989 -3.797 701 HD3 LYS 90 1HD LYS 90 6.208 -14.351 -3.468 702 HE2 LYS 90 2HE LYS 90 6.186 -14.902 -1.024 703 HE3 LYS 90 1HE LYS 90 6.855 -16.488 -1.410 704 HZ1 LYS 90 1HZ LYS 90 8.158 -13.883 -2.011 705 HZ2 LYS 90 2HZ LYS 90 8.805 -15.413 -2.331 706 HZ3 LYS 90 3HZ LYS 90 8.566 -14.912 -0.732 707 H ILE 91 H ILE 91 2.137 -13.022 -1.408 708 HA ILE 91 HA ILE 91 0.865 -13.767 1.173 709 HB ILE 91 HB ILE 91 2.483 -11.235 0.575 710 HG12 ILE 91 2HG1 ILE 91 3.532 -13.792 1.878 711 HG13 ILE 91 1HG1 ILE 91 3.876 -13.309 0.223 712 HG21 ILE 91 1HG2 ILE 91 2.713 -11.076 3.040 713 HG22 ILE 91 2HG2 ILE 91 1.748 -12.540 3.235 714 HG23 ILE 91 3HG2 ILE 91 1.014 -11.084 2.565 715 HD11 ILE 91 1HD1 ILE 91 4.718 -11.839 2.715 716 HD12 ILE 91 2HD1 ILE 91 5.032 -11.314 1.058 717 HD13 ILE 91 3HD1 ILE 91 5.735 -12.816 1.657 718 H ALA 92 H ALA 92 -0.913 -13.664 -0.786 719 HA ALA 92 HA ALA 92 -2.007 -11.271 -1.692 720 HB1 ALA 92 1HB ALA 92 -3.517 -13.803 -0.962 721 HB2 ALA 92 2HB ALA 92 -2.701 -13.498 -2.497 722 HB3 ALA 92 3HB ALA 92 -4.093 -12.518 -2.032 723 H LYS 93 H LYS 93 -2.440 -12.900 1.403 724 HA LYS 93 HA LYS 93 -3.072 -10.374 2.676 725 HB2 LYS 93 2HB LYS 93 -5.015 -11.370 3.954 726 HB3 LYS 93 1HB LYS 93 -5.329 -11.118 2.241 727 HG2 LYS 93 2HG LYS 93 -4.885 -13.546 1.841 728 HG3 LYS 93 1HG LYS 93 -4.687 -13.759 3.584 729 HD2 LYS 93 2HD LYS 93 -7.036 -12.959 3.908 730 HD3 LYS 93 1HD LYS 93 -7.216 -12.855 2.154 731 HE2 LYS 93 2HE LYS 93 -8.184 -14.947 3.065 732 HE3 LYS 93 1HE LYS 93 -6.859 -15.272 1.946 733 HZ1 LYS 93 1HZ LYS 93 -6.753 -16.657 3.939 734 HZ2 LYS 93 2HZ LYS 93 -6.622 -15.278 4.913 735 HZ3 LYS 93 3HZ LYS 93 -5.397 -15.659 3.814 736 HA PRO 94 HA PRO 94 -0.121 -12.382 5.442 737 HB2 PRO 94 2HB PRO 94 -0.699 -10.214 7.414 738 HB3 PRO 94 1HB PRO 94 0.810 -10.570 6.546 739 HG2 PRO 94 2HG PRO 94 -0.651 -8.398 5.948 740 HG3 PRO 94 1HG PRO 94 0.207 -9.311 4.684 741 HD2 PRO 94 2HD PRO 94 -2.723 -9.442 5.431 742 HD3 PRO 94 1HD PRO 94 -1.977 -9.325 3.819 743 H SER 95 H SER 95 0.045 -13.325 7.577 744 HA SER 95 HA SER 95 -2.546 -14.202 8.739 745 HB2 SER 95 2HB SER 95 -1.358 -16.035 7.652 746 HB3 SER 95 1HB SER 95 0.146 -15.616 8.467 747 HG SER 95 HG SER 95 -2.165 -16.855 9.499 748 H GLU 96 H GLU 96 -2.391 -14.835 11.075 749 HA GLU 96 HA GLU 96 -1.282 -12.780 12.726 750 HB2 GLU 96 2HB GLU 96 -2.504 -15.469 13.492 751 HB3 GLU 96 1HB GLU 96 -2.145 -14.174 14.630 752 HG2 GLU 96 2HG GLU 96 -4.123 -13.968 12.335 753 HG3 GLU 96 1HG GLU 96 -4.552 -14.330 14.004 754 H THR 97 H THR 97 -0.111 -15.842 11.604 755 HA THR 97 HA THR 97 2.189 -15.731 13.472 756 HB THR 97 HB THR 97 0.983 -17.768 13.855 757 HG1 THR 97 HG1 THR 97 3.250 -17.960 13.836 758 HG21 THR 97 1HG2 THR 97 0.585 -19.481 12.121 759 HG22 THR 97 2HG2 THR 97 1.188 -18.376 10.885 760 HG23 THR 97 3HG2 THR 97 -0.290 -17.989 11.769 761 H LEU 98 H LEU 98 1.312 -16.376 10.026 762 HA LEU 98 HA LEU 98 4.131 -16.052 9.253 763 HB2 LEU 98 2HB LEU 98 1.665 -17.004 7.797 764 HB3 LEU 98 1HB LEU 98 3.015 -16.396 6.863 765 HG LEU 98 HG LEU 98 3.164 -18.791 6.927 766 HD11 LEU 98 1HD1 LEU 98 5.394 -19.154 7.863 767 HD12 LEU 98 2HD1 LEU 98 5.282 -17.645 8.770 768 HD13 LEU 98 3HD1 LEU 98 5.301 -17.618 7.005 769 HD21 LEU 98 1HD2 LEU 98 3.127 -18.663 9.955 770 HD22 LEU 98 2HD2 LEU 98 3.383 -20.112 8.975 771 HD23 LEU 98 3HD2 LEU 98 1.835 -19.271 8.918 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 23.432 0.547 -7.995 2 H2 ALA 1 2H ALA 1 21.908 0.929 -7.378 3 H3 ALA 1 3H ALA 1 22.525 1.792 -8.691 4 HA ALA 1 HA ALA 1 22.444 -0.143 -10.077 5 HB1 ALA 1 1HB ALA 1 22.853 -1.840 -8.335 6 HB2 ALA 1 2HB ALA 1 21.401 -2.236 -9.257 7 HB3 ALA 1 3HB ALA 1 21.257 -1.533 -7.645 8 H GLU 2 H GLU 2 21.010 0.819 -11.378 9 HA GLU 2 HA GLU 2 18.179 1.086 -10.537 10 HB2 GLU 2 2HB GLU 2 17.877 2.754 -12.272 11 HB3 GLU 2 1HB GLU 2 19.244 3.229 -11.285 12 HG2 GLU 2 2HG GLU 2 19.434 1.949 -14.027 13 HG3 GLU 2 1HG GLU 2 19.592 3.669 -13.695 14 H GLN 3 H GLN 3 16.586 0.223 -11.883 15 HA GLN 3 HA GLN 3 17.493 -1.862 -13.770 16 HB2 GLN 3 2HB GLN 3 15.366 -2.983 -13.429 17 HB3 GLN 3 1HB GLN 3 16.101 -2.665 -11.873 18 HG2 GLN 3 2HG GLN 3 13.860 -1.019 -13.066 19 HG3 GLN 3 1HG GLN 3 13.627 -2.344 -11.932 20 HE21 GLN 3 1HE2 GLN 3 14.283 -2.037 -9.752 21 HE22 GLN 3 2HE2 GLN 3 14.509 -0.459 -9.089 22 H SER 4 H SER 4 15.875 -2.271 -15.580 23 HA SER 4 HA SER 4 15.731 -0.071 -17.333 24 HB2 SER 4 2HB SER 4 14.308 -1.677 -18.731 25 HB3 SER 4 1HB SER 4 15.881 -2.301 -18.239 26 HG SER 4 HG SER 4 13.340 -2.910 -17.142 27 H ASP 5 H ASP 5 13.389 -1.527 -15.168 28 HA ASP 5 HA ASP 5 11.257 0.338 -15.952 29 HB2 ASP 5 2HB ASP 5 11.273 -2.171 -14.213 30 HB3 ASP 5 1HB ASP 5 9.860 -1.138 -14.403 31 H LYS 6 H LYS 6 13.079 1.831 -14.997 32 HA LYS 6 HA LYS 6 13.382 2.202 -12.210 33 HB2 LYS 6 2HB LYS 6 14.881 3.160 -13.966 34 HB3 LYS 6 1HB LYS 6 13.593 4.249 -14.464 35 HG2 LYS 6 2HG LYS 6 13.661 5.195 -12.079 36 HG3 LYS 6 1HG LYS 6 15.140 4.262 -11.857 37 HD2 LYS 6 2HD LYS 6 15.898 6.429 -12.434 38 HD3 LYS 6 1HD LYS 6 16.047 5.518 -13.937 39 HE2 LYS 6 2HE LYS 6 13.711 7.344 -13.254 40 HE3 LYS 6 1HE LYS 6 15.100 7.829 -14.216 41 HZ1 LYS 6 1HZ LYS 6 13.069 5.785 -14.928 42 HZ2 LYS 6 2HZ LYS 6 14.489 6.045 -15.807 43 HZ3 LYS 6 3HZ LYS 6 13.341 7.275 -15.677 44 H ASP 7 H ASP 7 10.973 3.234 -14.483 45 HA ASP 7 HA ASP 7 9.687 5.186 -12.786 46 HB2 ASP 7 2HB ASP 7 8.871 3.922 -15.440 47 HB3 ASP 7 1HB ASP 7 7.984 5.214 -14.642 48 H VAL 8 H VAL 8 8.920 1.910 -13.969 49 HA VAL 8 HA VAL 8 6.871 1.602 -11.849 50 HB VAL 8 HB VAL 8 6.006 -0.348 -13.293 51 HG11 VAL 8 1HG1 VAL 8 4.710 1.140 -14.795 52 HG12 VAL 8 2HG1 VAL 8 5.834 2.460 -14.455 53 HG13 VAL 8 3HG1 VAL 8 4.827 1.805 -13.164 54 HG21 VAL 8 1HG2 VAL 8 7.767 0.958 -15.414 55 HG22 VAL 8 2HG2 VAL 8 6.547 -0.280 -15.731 56 HG23 VAL 8 3HG2 VAL 8 7.964 -0.667 -14.755 57 H LYS 9 H LYS 9 8.304 1.068 -10.209 58 HA LYS 9 HA LYS 9 10.387 -0.923 -10.588 59 HB2 LYS 9 2HB LYS 9 9.539 0.509 -8.032 60 HB3 LYS 9 1HB LYS 9 11.027 -0.404 -8.270 61 HG2 LYS 9 2HG LYS 9 11.786 1.256 -9.934 62 HG3 LYS 9 1HG LYS 9 10.290 2.169 -9.695 63 HD2 LYS 9 2HD LYS 9 10.930 2.427 -7.250 64 HD3 LYS 9 1HD LYS 9 12.481 1.677 -7.638 65 HE2 LYS 9 2HE LYS 9 12.939 3.503 -9.252 66 HE3 LYS 9 1HE LYS 9 11.397 4.245 -8.820 67 HZ1 LYS 9 1HZ LYS 9 13.074 5.345 -7.606 68 HZ2 LYS 9 2HZ LYS 9 13.780 3.903 -7.104 69 HZ3 LYS 9 3HZ LYS 9 12.276 4.351 -6.494 70 H TYR 10 H TYR 10 10.371 -2.975 -9.872 71 HA TYR 10 HA TYR 10 7.956 -4.204 -8.900 72 HB2 TYR 10 2HB TYR 10 10.734 -5.279 -9.532 73 HB3 TYR 10 1HB TYR 10 9.478 -6.292 -8.830 74 HD1 TYR 10 HD1 TYR 10 8.005 -7.441 -10.260 75 HD2 TYR 10 HD2 TYR 10 10.104 -4.046 -11.793 76 HE1 TYR 10 HE1 TYR 10 7.100 -7.889 -12.491 77 HE2 TYR 10 HE2 TYR 10 9.194 -4.503 -14.034 78 HH TYR 10 HH TYR 10 6.615 -6.532 -14.565 79 H TYR 11 H TYR 11 7.564 -3.316 -6.867 80 HA TYR 11 HA TYR 11 9.401 -3.773 -4.651 81 HB2 TYR 11 2HB TYR 11 6.551 -2.768 -4.909 82 HB3 TYR 11 1HB TYR 11 7.111 -3.331 -3.341 83 HD1 TYR 11 HD1 TYR 11 8.198 -1.845 -1.910 84 HD2 TYR 11 HD2 TYR 11 8.081 -0.921 -6.088 85 HE1 TYR 11 HE1 TYR 11 9.265 0.308 -1.463 86 HE2 TYR 11 HE2 TYR 11 9.140 1.244 -5.637 87 HH TYR 11 HH TYR 11 10.603 1.981 -2.640 88 H THR 12 H THR 12 9.309 -5.490 -3.223 89 HA THR 12 HA THR 12 7.544 -7.765 -3.932 90 HB THR 12 HB THR 12 9.039 -9.130 -2.469 91 HG1 THR 12 HG1 THR 12 9.988 -6.654 -1.795 92 HG21 THR 12 1HG2 THR 12 9.551 -8.997 -4.878 93 HG22 THR 12 2HG2 THR 12 11.038 -9.106 -3.934 94 HG23 THR 12 3HG2 THR 12 10.530 -7.554 -4.604 95 H LEU 13 H LEU 13 6.064 -8.542 -2.479 96 HA LEU 13 HA LEU 13 5.046 -6.798 -0.485 97 HB2 LEU 13 2HB LEU 13 3.803 -8.521 -1.987 98 HB3 LEU 13 1HB LEU 13 4.278 -9.721 -0.799 99 HG LEU 13 HG LEU 13 2.979 -8.526 0.944 100 HD11 LEU 13 1HD1 LEU 13 1.521 -6.627 0.375 101 HD12 LEU 13 2HD1 LEU 13 2.205 -6.573 -1.252 102 HD13 LEU 13 3HD1 LEU 13 3.222 -6.220 0.148 103 HD21 LEU 13 1HD2 LEU 13 1.354 -9.055 -1.569 104 HD22 LEU 13 2HD2 LEU 13 0.722 -8.992 0.081 105 HD23 LEU 13 3HD2 LEU 13 1.852 -10.264 -0.381 106 H GLU 14 H GLU 14 7.263 -9.449 -0.479 107 HA GLU 14 HA GLU 14 7.485 -10.115 2.229 108 HB2 GLU 14 2HB GLU 14 8.510 -11.310 0.278 109 HB3 GLU 14 1HB GLU 14 9.667 -10.010 0.100 110 HG2 GLU 14 2HG GLU 14 9.488 -11.635 2.643 111 HG3 GLU 14 1HG GLU 14 10.436 -12.182 1.267 112 H GLU 15 H GLU 15 9.055 -7.507 0.351 113 HA GLU 15 HA GLU 15 10.588 -6.335 2.410 114 HB2 GLU 15 2HB GLU 15 9.480 -5.371 -0.223 115 HB3 GLU 15 1HB GLU 15 10.069 -4.148 0.890 116 HG2 GLU 15 2HG GLU 15 11.690 -6.464 -0.200 117 HG3 GLU 15 1HG GLU 15 11.753 -4.789 -0.763 118 H ILE 16 H ILE 16 7.266 -5.786 1.356 119 HA ILE 16 HA ILE 16 6.854 -3.449 2.966 120 HB ILE 16 HB ILE 16 4.650 -5.106 1.654 121 HG12 ILE 16 2HG1 ILE 16 6.402 -2.982 0.322 122 HG13 ILE 16 1HG1 ILE 16 6.396 -4.697 -0.065 123 HG21 ILE 16 1HG2 ILE 16 3.486 -2.939 1.523 124 HG22 ILE 16 2HG2 ILE 16 4.878 -2.132 2.248 125 HG23 ILE 16 3HG2 ILE 16 3.946 -3.297 3.189 126 HD11 ILE 16 1HD1 ILE 16 4.125 -2.767 -0.497 127 HD12 ILE 16 2HD1 ILE 16 4.081 -4.497 -0.846 128 HD13 ILE 16 3HD1 ILE 16 5.192 -3.448 -1.725 129 H GLN 17 H GLN 17 6.436 -6.863 3.403 130 HA GLN 17 HA GLN 17 4.610 -7.121 5.474 131 HB2 GLN 17 2HB GLN 17 5.631 -9.028 4.302 132 HB3 GLN 17 1HB GLN 17 7.206 -8.648 4.986 133 HG2 GLN 17 2HG GLN 17 6.347 -9.182 7.244 134 HG3 GLN 17 1HG GLN 17 4.773 -9.566 6.545 135 HE21 GLN 17 1HE2 GLN 17 4.867 -11.694 7.321 136 HE22 GLN 17 2HE2 GLN 17 5.910 -12.887 6.630 137 H LYS 18 H LYS 18 7.914 -5.948 5.549 138 HA LYS 18 HA LYS 18 7.962 -5.632 8.466 139 HB2 LYS 18 2HB LYS 18 10.032 -5.020 6.307 140 HB3 LYS 18 1HB LYS 18 10.271 -4.660 8.015 141 HG2 LYS 18 2HG LYS 18 11.435 -6.705 7.505 142 HG3 LYS 18 1HG LYS 18 10.048 -7.105 8.523 143 HD2 LYS 18 2HD LYS 18 8.796 -7.834 6.522 144 HD3 LYS 18 1HD LYS 18 10.169 -7.420 5.499 145 HE2 LYS 18 2HE LYS 18 11.520 -9.147 6.603 146 HE3 LYS 18 1HE LYS 18 10.167 -9.537 7.671 147 HZ1 LYS 18 1HZ LYS 18 8.866 -10.158 5.727 148 HZ2 LYS 18 2HZ LYS 18 10.279 -11.071 5.824 149 HZ3 LYS 18 3HZ LYS 18 10.168 -9.802 4.714 150 H HIS 19 H HIS 19 5.900 -4.335 7.735 151 HA HIS 19 HA HIS 19 6.370 -1.510 7.160 152 HB2 HIS 19 2HB HIS 19 3.794 -1.417 7.402 153 HB3 HIS 19 1HB HIS 19 4.408 -2.400 6.077 154 HD1 HIS 19 HD1 HIS 19 3.900 -4.914 6.135 155 HD2 HIS 19 HD2 HIS 19 2.591 -2.930 9.527 156 HE1 HIS 19 HE1 HIS 19 2.515 -6.579 7.393 157 HE2 HIS 19 HE2 HIS 19 1.579 -5.285 9.326 158 H LYS 20 H LYS 20 7.803 -1.806 9.271 159 HA LYS 20 HA LYS 20 6.297 -1.569 11.769 160 HB2 LYS 20 2HB LYS 20 8.524 -2.867 11.494 161 HB3 LYS 20 1HB LYS 20 9.320 -1.301 11.423 162 HG2 LYS 20 2HG LYS 20 9.502 -2.184 13.666 163 HG3 LYS 20 1HG LYS 20 8.422 -0.786 13.702 164 HD2 LYS 20 2HD LYS 20 6.463 -2.271 13.766 165 HD3 LYS 20 1HD LYS 20 7.501 -3.689 13.619 166 HE2 LYS 20 2HE LYS 20 8.512 -3.171 15.815 167 HE3 LYS 20 1HE LYS 20 7.467 -1.754 15.962 168 HZ1 LYS 20 1HZ LYS 20 5.542 -3.167 15.980 169 HZ2 LYS 20 2HZ LYS 20 6.625 -3.715 17.158 170 HZ3 LYS 20 3HZ LYS 20 6.482 -4.542 15.693 171 H ASP 21 H ASP 21 8.522 0.348 9.796 172 HA ASP 21 HA ASP 21 7.816 2.873 11.102 173 HB2 ASP 21 2HB ASP 21 9.681 2.155 8.796 174 HB3 ASP 21 1HB ASP 21 9.379 3.814 9.293 175 H SER 22 H SER 22 6.794 4.573 9.982 176 HA SER 22 HA SER 22 4.703 4.015 8.175 177 HB2 SER 22 2HB SER 22 6.055 6.677 8.803 178 HB3 SER 22 1HB SER 22 4.492 6.491 8.005 179 HG SER 22 HG SER 22 4.211 5.103 10.134 180 H LYS 23 H LYS 23 8.062 4.923 7.713 181 HA LYS 23 HA LYS 23 7.806 5.641 4.935 182 HB2 LYS 23 2HB LYS 23 10.353 5.724 4.995 183 HB3 LYS 23 1HB LYS 23 9.505 6.811 6.080 184 HG2 LYS 23 2HG LYS 23 11.304 6.007 7.361 185 HG3 LYS 23 1HG LYS 23 9.920 5.072 7.919 186 HD2 LYS 23 2HD LYS 23 11.854 3.612 7.697 187 HD3 LYS 23 1HD LYS 23 10.649 3.173 6.485 188 HE2 LYS 23 2HE LYS 23 11.953 4.499 4.802 189 HE3 LYS 23 1HE LYS 23 13.188 4.775 6.031 190 HZ1 LYS 23 1HZ LYS 23 12.336 2.127 4.997 191 HZ2 LYS 23 2HZ LYS 23 13.512 2.385 6.177 192 HZ3 LYS 23 3HZ LYS 23 13.768 2.930 4.601 193 H SER 24 H SER 24 8.195 2.680 6.613 194 HA SER 24 HA SER 24 8.927 1.200 4.161 195 HB2 SER 24 2HB SER 24 8.738 0.233 7.050 196 HB3 SER 24 1HB SER 24 9.385 -0.682 5.681 197 HG SER 24 HG SER 24 10.957 0.410 7.068 198 H THR 25 H THR 25 6.211 2.451 4.980 199 HA THR 25 HA THR 25 4.515 0.033 4.998 200 HB THR 25 HB THR 25 3.830 2.907 5.759 201 HG1 THR 25 HG1 THR 25 5.094 1.275 7.185 202 HG21 THR 25 1HG2 THR 25 1.849 1.767 4.798 203 HG22 THR 25 2HG2 THR 25 1.657 2.032 6.531 204 HG23 THR 25 3HG2 THR 25 2.071 0.427 5.926 205 H TRP 26 H TRP 26 3.872 -0.531 3.045 206 HA TRP 26 HA TRP 26 2.796 1.454 1.143 207 HB2 TRP 26 2HB TRP 26 4.476 -0.973 0.326 208 HB3 TRP 26 1HB TRP 26 3.772 0.222 -0.759 209 HD1 TRP 26 HD TRP 26 4.877 2.809 -0.482 210 HE1 TRP 26 HE1 TRP 26 7.308 3.474 -0.033 211 HE3 TRP 26 HE3 TRP 26 6.599 -1.611 1.404 212 HZ2 TRP 26 HZ2 TRP 26 9.651 2.299 0.975 213 HZ3 TRP 26 HZ3 TRP 26 8.952 -1.767 2.092 214 HH2 TRP 26 HH TRP 26 10.450 0.154 1.882 215 H VAL 27 H VAL 27 1.364 0.238 -0.491 216 HA VAL 27 HA VAL 27 0.032 -2.143 0.651 217 HB VAL 27 HB VAL 27 -2.206 -1.100 0.177 218 HG11 VAL 27 1HG1 VAL 27 -2.373 0.210 2.250 219 HG12 VAL 27 2HG1 VAL 27 -0.611 0.242 2.361 220 HG13 VAL 27 3HG1 VAL 27 -1.475 -1.293 2.467 221 HG21 VAL 27 1HG2 VAL 27 -1.523 0.687 -1.352 222 HG22 VAL 27 2HG2 VAL 27 -0.639 1.495 -0.054 223 HG23 VAL 27 3HG2 VAL 27 -2.398 1.368 0.023 224 H ILE 28 H ILE 28 -1.509 -3.179 -0.902 225 HA ILE 28 HA ILE 28 -0.870 -2.623 -3.736 226 HB ILE 28 HB ILE 28 -0.505 -4.981 -4.244 227 HG12 ILE 28 2HG1 ILE 28 -0.041 -6.478 -1.977 228 HG13 ILE 28 1HG1 ILE 28 -1.376 -5.493 -1.405 229 HG21 ILE 28 1HG2 ILE 28 1.207 -3.978 -1.948 230 HG22 ILE 28 2HG2 ILE 28 1.443 -3.676 -3.672 231 HG23 ILE 28 3HG2 ILE 28 1.648 -5.300 -3.025 232 HD11 ILE 28 1HD1 ILE 28 -1.415 -7.296 -3.825 233 HD12 ILE 28 2HD1 ILE 28 -2.782 -6.350 -3.228 234 HD13 ILE 28 3HD1 ILE 28 -2.112 -7.655 -2.248 235 H LEU 29 H LEU 29 -2.595 -2.543 -5.022 236 HA LEU 29 HA LEU 29 -5.244 -2.947 -3.937 237 HB2 LEU 29 2HB LEU 29 -4.111 -1.732 -6.409 238 HB3 LEU 29 1HB LEU 29 -5.676 -2.481 -6.638 239 HG LEU 29 HG LEU 29 -5.772 -0.016 -6.171 240 HD11 LEU 29 1HD1 LEU 29 -7.739 -1.425 -5.764 241 HD12 LEU 29 2HD1 LEU 29 -7.658 -0.084 -4.626 242 HD13 LEU 29 3HD1 LEU 29 -7.205 -1.709 -4.105 243 HD21 LEU 29 1HD2 LEU 29 -3.922 0.126 -4.537 244 HD22 LEU 29 2HD2 LEU 29 -4.907 -0.731 -3.356 245 HD23 LEU 29 3HD2 LEU 29 -5.402 0.862 -3.929 246 H HIS 30 H HIS 30 -3.062 -4.790 -5.922 247 HA HIS 30 HA HIS 30 -4.357 -7.229 -5.429 248 HB2 HIS 30 2HB HIS 30 -6.015 -6.426 -7.117 249 HB3 HIS 30 1HB HIS 30 -4.729 -6.255 -8.305 250 HD1 HIS 30 HD1 HIS 30 -4.981 -8.094 -9.940 251 HD2 HIS 30 HD2 HIS 30 -5.748 -9.391 -6.077 252 HE1 HIS 30 HE1 HIS 30 -5.400 -10.557 -10.136 253 HE2 HIS 30 HE2 HIS 30 -6.083 -11.255 -7.818 254 H HIS 31 H HIS 31 -2.532 -5.677 -8.062 255 HA HIS 31 HA HIS 31 -0.270 -7.547 -7.698 256 HB2 HIS 31 2HB HIS 31 -1.336 -8.497 -9.592 257 HB3 HIS 31 1HB HIS 31 -1.813 -6.935 -10.238 258 HD1 HIS 31 HD1 HIS 31 1.576 -8.566 -9.521 259 HD2 HIS 31 HD2 HIS 31 -0.374 -6.389 -12.462 260 HE1 HIS 31 HE1 HIS 31 3.256 -8.240 -11.341 261 HE2 HIS 31 HE2 HIS 31 2.127 -6.721 -12.980 262 H LYS 32 H LYS 32 -1.352 -4.321 -8.085 263 HA LYS 32 HA LYS 32 1.361 -3.343 -8.812 264 HB2 LYS 32 2HB LYS 32 -0.734 -2.689 -10.169 265 HB3 LYS 32 1HB LYS 32 -1.250 -1.754 -8.770 266 HG2 LYS 32 2HG LYS 32 0.840 -0.401 -8.948 267 HG3 LYS 32 1HG LYS 32 1.289 -1.321 -10.387 268 HD2 LYS 32 2HD LYS 32 -1.125 0.496 -10.071 269 HD3 LYS 32 1HD LYS 32 0.300 0.800 -11.056 270 HE2 LYS 32 2HE LYS 32 -0.287 -1.050 -12.534 271 HE3 LYS 32 1HE LYS 32 -1.671 -1.462 -11.519 272 HZ1 LYS 32 1HZ LYS 32 -2.242 -0.153 -13.509 273 HZ2 LYS 32 2HZ LYS 32 -1.333 1.137 -12.910 274 HZ3 LYS 32 3HZ LYS 32 -2.699 0.606 -12.071 275 H VAL 33 H VAL 33 2.330 -1.702 -7.493 276 HA VAL 33 HA VAL 33 1.363 -1.700 -4.695 277 HB VAL 33 HB VAL 33 3.623 -2.775 -5.098 278 HG11 VAL 33 1HG1 VAL 33 4.569 0.040 -5.740 279 HG12 VAL 33 2HG1 VAL 33 4.476 -1.306 -6.877 280 HG13 VAL 33 3HG1 VAL 33 5.596 -1.379 -5.518 281 HG21 VAL 33 1HG2 VAL 33 3.625 -0.327 -3.297 282 HG22 VAL 33 2HG2 VAL 33 4.746 -1.687 -3.179 283 HG23 VAL 33 3HG2 VAL 33 3.025 -1.935 -2.882 284 H TYR 34 H TYR 34 1.227 0.185 -3.601 285 HA TYR 34 HA TYR 34 1.753 2.735 -4.983 286 HB2 TYR 34 2HB TYR 34 -0.746 2.061 -3.353 287 HB3 TYR 34 1HB TYR 34 -0.367 3.638 -4.039 288 HD1 TYR 34 HD1 TYR 34 -1.901 0.435 -4.663 289 HD2 TYR 34 HD2 TYR 34 -0.183 3.829 -6.598 290 HE1 TYR 34 HE1 TYR 34 -3.016 -0.194 -6.758 291 HE2 TYR 34 HE2 TYR 34 -1.302 3.202 -8.689 292 HH TYR 34 HH TYR 34 -3.751 0.823 -8.825 293 H ASP 35 H ASP 35 2.335 4.385 -3.659 294 HA ASP 35 HA ASP 35 3.725 3.778 -1.277 295 HB2 ASP 35 2HB ASP 35 4.398 5.601 -2.831 296 HB3 ASP 35 1HB ASP 35 2.931 6.483 -2.435 297 H LEU 36 H LEU 36 2.978 3.728 0.762 298 HA LEU 36 HA LEU 36 0.313 4.872 1.376 299 HB2 LEU 36 2HB LEU 36 0.892 2.310 1.614 300 HB3 LEU 36 1HB LEU 36 1.714 2.794 3.082 301 HG LEU 36 HG LEU 36 -0.572 1.901 3.482 302 HD11 LEU 36 1HD1 LEU 36 -1.391 3.593 4.983 303 HD12 LEU 36 2HD1 LEU 36 -0.382 4.819 4.219 304 HD13 LEU 36 3HD1 LEU 36 0.361 3.476 5.093 305 HD21 LEU 36 1HD2 LEU 36 -2.561 3.160 2.837 306 HD22 LEU 36 2HD2 LEU 36 -1.648 2.659 1.421 307 HD23 LEU 36 3HD2 LEU 36 -1.564 4.330 1.970 308 H THR 37 H THR 37 3.699 4.944 2.084 309 HA THR 37 HA THR 37 4.075 5.960 4.563 310 HB THR 37 HB THR 37 5.419 6.817 1.971 311 HG1 THR 37 HG1 THR 37 5.563 4.595 3.594 312 HG21 THR 37 1HG2 THR 37 7.360 7.481 3.340 313 HG22 THR 37 2HG2 THR 37 6.454 7.151 4.816 314 HG23 THR 37 3HG2 THR 37 5.949 8.460 3.744 315 H LYS 38 H LYS 38 3.125 7.868 1.726 316 HA LYS 38 HA LYS 38 2.944 10.363 3.211 317 HB2 LYS 38 2HB LYS 38 3.859 10.334 0.925 318 HB3 LYS 38 1HB LYS 38 2.384 9.625 0.313 319 HG2 LYS 38 2HG LYS 38 2.284 11.866 -0.367 320 HG3 LYS 38 1HG LYS 38 1.200 11.791 1.015 321 HD2 LYS 38 2HD LYS 38 4.080 12.740 1.242 322 HD3 LYS 38 1HD LYS 38 2.753 13.831 0.850 323 HE2 LYS 38 2HE LYS 38 2.955 12.175 3.379 324 HE3 LYS 38 1HE LYS 38 3.338 13.876 3.259 325 HZ1 LYS 38 1HZ LYS 38 1.012 14.269 2.587 326 HZ2 LYS 38 2HZ LYS 38 1.155 13.622 4.136 327 HZ3 LYS 38 3HZ LYS 38 0.679 12.633 2.854 328 H PHE 39 H PHE 39 0.801 7.866 1.994 329 HA PHE 39 HA PHE 39 -1.655 9.260 1.959 330 HB2 PHE 39 2HB PHE 39 -1.198 7.094 0.795 331 HB3 PHE 39 1HB PHE 39 -1.192 6.273 2.348 332 HD1 PHE 39 HD1 PHE 39 -3.226 5.344 3.162 333 HD2 PHE 39 HD2 PHE 39 -3.393 8.373 0.147 334 HE1 PHE 39 HE1 PHE 39 -5.640 4.962 2.907 335 HE2 PHE 39 HE2 PHE 39 -5.809 7.983 -0.091 336 HZ PHE 39 HZ PHE 39 -6.930 6.281 1.279 337 H LEU 40 H LEU 40 -0.070 7.385 4.516 338 HA LEU 40 HA LEU 40 -2.231 7.607 6.380 339 HB2 LEU 40 2HB LEU 40 -0.593 6.713 8.044 340 HB3 LEU 40 1HB LEU 40 -0.786 5.736 6.606 341 HG LEU 40 HG LEU 40 1.425 6.873 5.773 342 HD11 LEU 40 1HD1 LEU 40 1.573 8.631 7.466 343 HD12 LEU 40 2HD1 LEU 40 2.989 7.586 7.497 344 HD13 LEU 40 3HD1 LEU 40 1.740 7.414 8.734 345 HD21 LEU 40 1HD2 LEU 40 1.537 4.878 8.059 346 HD22 LEU 40 2HD2 LEU 40 2.818 5.184 6.882 347 HD23 LEU 40 3HD2 LEU 40 1.285 4.499 6.354 348 H GLU 41 H GLU 41 0.375 9.705 5.447 349 HA GLU 41 HA GLU 41 0.272 11.443 7.759 350 HB2 GLU 41 2HB GLU 41 1.565 11.725 5.026 351 HB3 GLU 41 1HB GLU 41 1.728 12.923 6.302 352 HG2 GLU 41 2HG GLU 41 2.602 10.039 6.570 353 HG3 GLU 41 1HG GLU 41 3.664 11.347 6.066 354 H GLU 42 H GLU 42 -1.635 11.062 4.944 355 HA GLU 42 HA GLU 42 -2.751 13.707 4.860 356 HB2 GLU 42 2HB GLU 42 -3.173 11.118 3.477 357 HB3 GLU 42 1HB GLU 42 -4.677 11.989 3.735 358 HG2 GLU 42 2HG GLU 42 -3.574 12.407 1.518 359 HG3 GLU 42 1HG GLU 42 -3.922 13.858 2.452 360 H PHE 43 H PHE 43 -3.351 10.818 6.731 361 HA PHE 43 HA PHE 43 -5.685 12.034 8.068 362 HB2 PHE 43 2HB PHE 43 -4.480 9.342 8.795 363 HB3 PHE 43 1HB PHE 43 -6.131 9.901 9.025 364 HD1 PHE 43 HD1 PHE 43 -7.305 10.590 6.656 365 HD2 PHE 43 HD2 PHE 43 -4.195 7.694 7.161 366 HE1 PHE 43 HE1 PHE 43 -7.937 9.528 4.533 367 HE2 PHE 43 HE2 PHE 43 -4.833 6.654 5.035 368 HZ PHE 43 HZ PHE 43 -6.696 7.572 3.724 369 HA PRO 44 HA PRO 44 -2.914 13.622 11.307 370 HB2 PRO 44 2HB PRO 44 -4.758 13.727 13.407 371 HB3 PRO 44 1HB PRO 44 -4.612 14.961 12.142 372 HG2 PRO 44 2HG PRO 44 -6.556 12.683 12.321 373 HG3 PRO 44 1HG PRO 44 -6.844 14.372 11.843 374 HD2 PRO 44 2HD PRO 44 -6.629 12.433 9.994 375 HD3 PRO 44 1HD PRO 44 -5.958 14.052 9.695 376 H GLY 45 H GLY 45 -1.480 11.943 11.621 377 HA2 GLY 45 2HA GLY 45 -0.425 10.177 12.636 378 HA3 GLY 45 1HA GLY 45 -1.587 10.323 13.946 379 H GLY 46 H GLY 46 -2.120 9.540 10.506 380 HA2 GLY 46 2HA GLY 46 -4.064 7.515 11.305 381 HA3 GLY 46 1HA GLY 46 -3.847 8.208 9.715 382 H GLU 47 H GLU 47 -1.069 6.933 11.387 383 HA GLU 47 HA GLU 47 -0.597 4.900 9.425 384 HB2 GLU 47 2HB GLU 47 1.286 5.989 10.511 385 HB3 GLU 47 1HB GLU 47 0.717 5.505 12.102 386 HG2 GLU 47 2HG GLU 47 1.024 3.059 11.212 387 HG3 GLU 47 1HG GLU 47 1.987 3.812 9.948 388 H GLU 48 H GLU 48 -1.792 4.922 12.765 389 HA GLU 48 HA GLU 48 -1.566 2.163 13.264 390 HB2 GLU 48 2HB GLU 48 -3.334 2.735 15.163 391 HB3 GLU 48 1HB GLU 48 -1.683 3.326 15.238 392 HG2 GLU 48 2HG GLU 48 -3.221 5.068 15.919 393 HG3 GLU 48 1HG GLU 48 -2.402 5.524 14.428 394 H VAL 49 H VAL 49 -4.160 3.907 11.691 395 HA VAL 49 HA VAL 49 -6.208 1.930 12.147 396 HB VAL 49 HB VAL 49 -6.670 4.374 11.902 397 HG11 VAL 49 1HG1 VAL 49 -6.740 5.425 9.672 398 HG12 VAL 49 2HG1 VAL 49 -6.037 3.970 8.963 399 HG13 VAL 49 3HG1 VAL 49 -5.105 4.928 10.117 400 HG21 VAL 49 1HG2 VAL 49 -8.512 2.761 11.610 401 HG22 VAL 49 2HG2 VAL 49 -8.173 2.663 9.880 402 HG23 VAL 49 3HG2 VAL 49 -8.744 4.178 10.585 403 H LEU 50 H LEU 50 -3.728 2.263 9.727 404 HA LEU 50 HA LEU 50 -5.159 0.424 7.882 405 HB2 LEU 50 2HB LEU 50 -3.713 1.620 6.053 406 HB3 LEU 50 1HB LEU 50 -5.177 2.372 6.647 407 HG LEU 50 HG LEU 50 -3.773 3.825 8.158 408 HD11 LEU 50 1HD1 LEU 50 -1.441 2.679 6.617 409 HD12 LEU 50 2HD1 LEU 50 -1.756 2.523 8.344 410 HD13 LEU 50 3HD1 LEU 50 -1.376 4.101 7.663 411 HD21 LEU 50 1HD2 LEU 50 -3.242 4.092 5.183 412 HD22 LEU 50 2HD2 LEU 50 -3.063 5.376 6.385 413 HD23 LEU 50 3HD2 LEU 50 -4.654 4.694 6.055 414 H ARG 51 H ARG 51 -2.268 0.934 9.687 415 HA ARG 51 HA ARG 51 -0.351 -0.143 7.921 416 HB2 ARG 51 2HB ARG 51 0.232 1.346 9.802 417 HB3 ARG 51 1HB ARG 51 -0.222 0.095 10.952 418 HG2 ARG 51 2HG ARG 51 1.613 -1.346 10.066 419 HG3 ARG 51 1HG ARG 51 2.070 -0.052 8.956 420 HD2 ARG 51 2HD ARG 51 3.543 -0.054 10.893 421 HD3 ARG 51 1HD ARG 51 2.564 1.411 10.891 422 HE ARG 51 HE ARG 51 1.253 -0.499 12.455 423 HH11 ARG 51 1HH1 ARG 51 4.216 1.413 12.594 424 HH12 ARG 51 2HH1 ARG 51 4.257 1.421 14.330 425 HH21 ARG 51 1HH2 ARG 51 1.325 -0.458 14.718 426 HH22 ARG 51 2HH2 ARG 51 2.620 0.359 15.531 427 H GLU 52 H GLU 52 -2.396 -1.693 10.335 428 HA GLU 52 HA GLU 52 -1.090 -4.206 10.443 429 HB2 GLU 52 2HB GLU 52 -4.038 -3.599 10.913 430 HB3 GLU 52 1HB GLU 52 -3.205 -5.066 11.404 431 HG2 GLU 52 2HG GLU 52 -2.682 -2.278 12.455 432 HG3 GLU 52 1HG GLU 52 -3.519 -3.576 13.305 433 H GLN 53 H GLN 53 -3.485 -2.880 8.212 434 HA GLN 53 HA GLN 53 -3.706 -5.397 6.715 435 HB2 GLN 53 2HB GLN 53 -5.075 -2.696 6.427 436 HB3 GLN 53 1HB GLN 53 -5.235 -3.961 5.214 437 HG2 GLN 53 2HG GLN 53 -7.174 -3.971 6.648 438 HG3 GLN 53 1HG GLN 53 -6.256 -5.450 6.916 439 HE21 GLN 53 1HE2 GLN 53 -5.285 -5.772 8.934 440 HE22 GLN 53 2HE2 GLN 53 -5.674 -4.810 10.315 441 H ALA 54 H ALA 54 -1.876 -2.446 6.644 442 HA ALA 54 HA ALA 54 -1.103 -2.443 3.894 443 HB1 ALA 54 1HB ALA 54 0.712 -0.941 4.604 444 HB2 ALA 54 2HB ALA 54 0.386 -1.324 6.299 445 HB3 ALA 54 3HB ALA 54 -0.819 -0.464 5.342 446 H GLY 55 H GLY 55 0.892 -3.243 2.955 447 HA2 GLY 55 2HA GLY 55 2.440 -4.930 2.599 448 HA3 GLY 55 1HA GLY 55 2.458 -5.244 4.329 449 H GLY 56 H GLY 56 -0.596 -5.253 2.720 450 HA2 GLY 56 2HA GLY 56 -0.632 -8.095 2.076 451 HA3 GLY 56 1HA GLY 56 -1.632 -7.618 3.448 452 H ASP 57 H ASP 57 -3.153 -5.760 3.037 453 HA ASP 57 HA ASP 57 -4.420 -6.074 0.379 454 HB2 ASP 57 2HB ASP 57 -5.766 -7.017 2.228 455 HB3 ASP 57 1HB ASP 57 -5.722 -5.469 3.068 456 H ALA 58 H ALA 58 -5.354 -4.353 -0.610 457 HA ALA 58 HA ALA 58 -5.696 -1.772 0.648 458 HB1 ALA 58 1HB ALA 58 -4.554 -0.467 -1.011 459 HB2 ALA 58 2HB ALA 58 -4.158 -1.904 -1.954 460 HB3 ALA 58 3HB ALA 58 -3.419 -1.651 -0.380 461 H THR 59 H THR 59 -6.688 -4.258 -1.323 462 HA THR 59 HA THR 59 -8.114 -3.060 -3.419 463 HB THR 59 HB THR 59 -9.137 -5.587 -2.060 464 HG1 THR 59 HG1 THR 59 -6.627 -5.223 -3.305 465 HG21 THR 59 1HG2 THR 59 -9.447 -6.376 -4.358 466 HG22 THR 59 2HG2 THR 59 -8.660 -4.927 -4.995 467 HG23 THR 59 3HG2 THR 59 -10.219 -4.798 -4.174 468 H GLU 60 H GLU 60 -8.953 -3.913 -0.107 469 HA GLU 60 HA GLU 60 -11.410 -2.282 -0.189 470 HB2 GLU 60 2HB GLU 60 -10.401 -4.269 1.898 471 HB3 GLU 60 1HB GLU 60 -11.926 -3.390 1.989 472 HG2 GLU 60 2HG GLU 60 -12.727 -4.529 -0.043 473 HG3 GLU 60 1HG GLU 60 -11.190 -5.376 -0.182 474 H ASN 61 H ASN 61 -8.290 -2.697 1.501 475 HA ASN 61 HA ASN 61 -8.768 -1.035 3.707 476 HB2 ASN 61 2HB ASN 61 -7.021 -2.685 3.809 477 HB3 ASN 61 1HB ASN 61 -6.167 -1.977 2.444 478 HD21 ASN 61 1HD2 ASN 61 -4.643 -0.433 2.856 479 HD22 ASN 61 2HD2 ASN 61 -4.301 0.212 4.418 480 H PHE 62 H PHE 62 -6.872 -0.209 0.767 481 HA PHE 62 HA PHE 62 -6.073 2.381 1.503 482 HB2 PHE 62 2HB PHE 62 -5.148 0.995 -0.371 483 HB3 PHE 62 1HB PHE 62 -6.598 1.310 -1.303 484 HD1 PHE 62 HD1 PHE 62 -3.558 2.893 0.165 485 HD2 PHE 62 HD2 PHE 62 -6.776 3.335 -2.620 486 HE1 PHE 62 HE1 PHE 62 -2.432 4.841 -0.833 487 HE2 PHE 62 HE2 PHE 62 -5.643 5.287 -3.604 488 HZ PHE 62 HZ PHE 62 -3.473 6.037 -2.718 489 H GLU 63 H GLU 63 -9.076 1.229 0.163 490 HA GLU 63 HA GLU 63 -10.200 3.850 -0.423 491 HB2 GLU 63 2HB GLU 63 -10.699 1.910 -1.880 492 HB3 GLU 63 1HB GLU 63 -11.391 1.044 -0.514 493 HG2 GLU 63 2HG GLU 63 -13.145 2.848 -0.357 494 HG3 GLU 63 1HG GLU 63 -12.495 3.531 -1.845 495 H ASP 64 H ASP 64 -10.362 1.397 2.090 496 HA ASP 64 HA ASP 64 -12.850 2.196 3.280 497 HB2 ASP 64 2HB ASP 64 -12.017 -0.139 3.383 498 HB3 ASP 64 1HB ASP 64 -10.627 0.379 4.331 499 H VAL 65 H VAL 65 -9.476 2.341 4.350 500 HA VAL 65 HA VAL 65 -9.967 3.993 6.655 501 HB VAL 65 HB VAL 65 -7.537 4.062 6.916 502 HG11 VAL 65 1HG1 VAL 65 -8.643 1.987 7.611 503 HG12 VAL 65 2HG1 VAL 65 -7.019 1.648 7.017 504 HG13 VAL 65 3HG1 VAL 65 -8.419 1.299 6.000 505 HG21 VAL 65 1HG2 VAL 65 -7.347 2.888 4.117 506 HG22 VAL 65 2HG2 VAL 65 -5.988 3.070 5.223 507 HG23 VAL 65 3HG2 VAL 65 -6.829 4.497 4.620 508 H GLY 66 H GLY 66 -9.500 4.548 3.304 509 HA2 GLY 66 2HA GLY 66 -8.322 7.166 3.448 510 HA3 GLY 66 1HA GLY 66 -8.856 6.317 2.016 511 H PHE 67 H PHE 67 -9.303 8.905 2.043 512 HA PHE 67 HA PHE 67 -11.743 9.786 3.218 513 HB2 PHE 67 2HB PHE 67 -10.284 10.927 0.804 514 HB3 PHE 67 1HB PHE 67 -11.483 11.760 1.779 515 HD1 PHE 67 HD1 PHE 67 -10.895 12.036 4.341 516 HD2 PHE 67 HD2 PHE 67 -8.005 11.248 1.287 517 HE1 PHE 67 HE1 PHE 67 -9.120 12.953 5.773 518 HE2 PHE 67 HE2 PHE 67 -6.238 12.165 2.726 519 HZ PHE 67 HZ PHE 67 -6.793 13.019 4.968 520 H SER 68 H SER 68 -13.524 10.706 1.745 521 HA SER 68 HA SER 68 -15.014 8.556 0.826 522 HB2 SER 68 2HB SER 68 -16.007 10.631 1.699 523 HB3 SER 68 1HB SER 68 -15.442 11.518 0.286 524 HG SER 68 HG SER 68 -16.981 9.267 -0.223 525 H THR 69 H THR 69 -14.065 11.281 -1.335 526 HA THR 69 HA THR 69 -14.071 9.449 -3.643 527 HB THR 69 HB THR 69 -13.912 11.649 -4.962 528 HG1 THR 69 HG1 THR 69 -14.935 13.136 -2.905 529 HG21 THR 69 1HG2 THR 69 -16.296 12.209 -4.672 530 HG22 THR 69 2HG2 THR 69 -16.342 11.298 -3.164 531 HG23 THR 69 3HG2 THR 69 -16.067 10.460 -4.693 532 H ASP 70 H ASP 70 -11.895 11.449 -1.715 533 HA ASP 70 HA ASP 70 -9.819 11.845 -3.544 534 HB2 ASP 70 2HB ASP 70 -9.810 11.770 -0.514 535 HB3 ASP 70 1HB ASP 70 -8.316 12.020 -1.407 536 H ALA 71 H ALA 71 -10.057 9.266 -1.038 537 HA ALA 71 HA ALA 71 -7.613 8.003 -1.521 538 HB1 ALA 71 1HB ALA 71 -9.046 7.526 0.417 539 HB2 ALA 71 2HB ALA 71 -8.556 6.042 -0.404 540 HB3 ALA 71 3HB ALA 71 -10.190 6.681 -0.625 541 H ARG 72 H ARG 72 -10.618 7.732 -3.250 542 HA ARG 72 HA ARG 72 -10.079 5.282 -4.625 543 HB2 ARG 72 2HB ARG 72 -12.130 7.429 -5.312 544 HB3 ARG 72 1HB ARG 72 -12.169 5.734 -5.799 545 HG2 ARG 72 2HG ARG 72 -12.406 5.066 -3.410 546 HG3 ARG 72 1HG ARG 72 -12.412 6.771 -2.954 547 HD2 ARG 72 2HD ARG 72 -14.681 5.985 -2.968 548 HD3 ARG 72 1HD ARG 72 -14.477 7.075 -4.342 549 HE ARG 72 HE ARG 72 -14.020 4.648 -5.436 550 HH11 ARG 72 1HH1 ARG 72 -16.672 5.867 -3.472 551 HH12 ARG 72 2HH1 ARG 72 -17.847 4.809 -4.183 552 HH21 ARG 72 1HH2 ARG 72 -15.561 3.270 -6.357 553 HH22 ARG 72 2HH2 ARG 72 -17.209 3.330 -5.829 554 H GLU 73 H GLU 73 -9.517 8.713 -5.320 555 HA GLU 73 HA GLU 73 -8.478 8.097 -7.998 556 HB2 GLU 73 2HB GLU 73 -8.249 10.449 -8.383 557 HB3 GLU 73 1HB GLU 73 -9.828 10.189 -7.656 558 HG2 GLU 73 2HG GLU 73 -9.093 11.078 -5.543 559 HG3 GLU 73 1HG GLU 73 -7.410 11.096 -6.064 560 H LEU 74 H LEU 74 -7.303 8.479 -4.772 561 HA LEU 74 HA LEU 74 -4.710 9.493 -5.363 562 HB2 LEU 74 2HB LEU 74 -5.828 8.111 -2.904 563 HB3 LEU 74 1HB LEU 74 -4.154 8.636 -2.997 564 HG LEU 74 HG LEU 74 -6.602 10.442 -3.122 565 HD11 LEU 74 1HD1 LEU 74 -5.821 11.364 -0.998 566 HD12 LEU 74 2HD1 LEU 74 -4.484 10.209 -0.973 567 HD13 LEU 74 3HD1 LEU 74 -6.151 9.637 -0.867 568 HD21 LEU 74 1HD2 LEU 74 -5.045 12.345 -3.146 569 HD22 LEU 74 2HD2 LEU 74 -4.890 11.350 -4.589 570 HD23 LEU 74 3HD2 LEU 74 -3.683 11.232 -3.307 571 H SER 75 H SER 75 -5.957 6.419 -6.014 572 HA SER 75 HA SER 75 -3.721 4.751 -5.825 573 HB2 SER 75 2HB SER 75 -5.808 4.827 -8.046 574 HB3 SER 75 1HB SER 75 -4.743 3.468 -7.688 575 HG SER 75 HG SER 75 -6.034 4.226 -5.452 576 H LYS 76 H LYS 76 -4.681 6.839 -8.615 577 HA LYS 76 HA LYS 76 -2.239 6.375 -10.052 578 HB2 LYS 76 2HB LYS 76 -3.090 8.205 -11.615 579 HB3 LYS 76 1HB LYS 76 -4.134 6.812 -11.410 580 HG2 LYS 76 2HG LYS 76 -5.590 8.653 -11.445 581 HG3 LYS 76 1HG LYS 76 -5.478 8.194 -9.751 582 HD2 LYS 76 2HD LYS 76 -3.896 10.076 -9.357 583 HD3 LYS 76 1HD LYS 76 -4.022 10.531 -11.058 584 HE2 LYS 76 2HE LYS 76 -6.428 10.987 -10.767 585 HE3 LYS 76 1HE LYS 76 -6.329 10.488 -9.080 586 HZ1 LYS 76 1HZ LYS 76 -4.755 12.333 -8.722 587 HZ2 LYS 76 2HZ LYS 76 -6.291 12.853 -9.200 588 HZ3 LYS 76 3HZ LYS 76 -5.018 12.847 -10.311 589 H LYS 77 H LYS 77 -2.859 8.378 -7.414 590 HA LYS 77 HA LYS 77 -0.946 10.476 -8.062 591 HB2 LYS 77 2HB LYS 77 -3.071 10.804 -6.681 592 HB3 LYS 77 1HB LYS 77 -2.310 9.911 -5.377 593 HG2 LYS 77 2HG LYS 77 -1.053 12.415 -6.534 594 HG3 LYS 77 1HG LYS 77 -2.300 12.495 -5.293 595 HD2 LYS 77 2HD LYS 77 -0.880 11.252 -3.733 596 HD3 LYS 77 1HD LYS 77 0.352 11.039 -4.981 597 HE2 LYS 77 2HE LYS 77 0.923 12.852 -3.391 598 HE3 LYS 77 1HE LYS 77 0.754 13.438 -5.047 599 HZ1 LYS 77 1HZ LYS 77 -1.346 14.371 -4.546 600 HZ2 LYS 77 2HZ LYS 77 -0.320 14.830 -3.286 601 HZ3 LYS 77 3HZ LYS 77 -1.434 13.590 -3.054 602 H TYR 78 H TYR 78 -1.186 7.685 -5.845 603 HA TYR 78 HA TYR 78 1.566 8.031 -4.892 604 HB2 TYR 78 2HB TYR 78 -0.691 6.161 -4.051 605 HB3 TYR 78 1HB TYR 78 0.913 6.136 -3.330 606 HD1 TYR 78 HD1 TYR 78 -2.064 8.313 -3.817 607 HD2 TYR 78 HD2 TYR 78 1.443 7.644 -1.537 608 HE1 TYR 78 HE1 TYR 78 -2.814 9.979 -2.215 609 HE2 TYR 78 HE2 TYR 78 0.680 9.322 0.066 610 HH TYR 78 HH TYR 78 -0.777 11.121 0.309 611 H ILE 79 H ILE 79 0.878 7.031 -7.692 612 HA ILE 79 HA ILE 79 1.607 4.279 -7.792 613 HB ILE 79 HB ILE 79 0.361 5.184 -9.650 614 HG12 ILE 79 2HG1 ILE 79 1.738 4.447 -11.597 615 HG13 ILE 79 1HG1 ILE 79 3.186 4.512 -10.600 616 HG21 ILE 79 1HG2 ILE 79 1.066 7.523 -9.579 617 HG22 ILE 79 2HG2 ILE 79 1.213 6.879 -11.215 618 HG23 ILE 79 3HG2 ILE 79 2.653 7.087 -10.218 619 HD11 ILE 79 1HD1 ILE 79 2.357 2.233 -10.926 620 HD12 ILE 79 2HD1 ILE 79 0.841 2.667 -10.139 621 HD13 ILE 79 3HD1 ILE 79 2.352 2.690 -9.224 622 H ILE 80 H ILE 80 3.512 3.476 -7.370 623 HA ILE 80 HA ILE 80 5.992 5.077 -7.690 624 HB ILE 80 HB ILE 80 5.264 4.856 -5.318 625 HG12 ILE 80 2HG1 ILE 80 7.811 3.246 -5.794 626 HG13 ILE 80 1HG1 ILE 80 7.719 4.998 -5.926 627 HG21 ILE 80 1HG2 ILE 80 5.309 2.684 -4.154 628 HG22 ILE 80 2HG2 ILE 80 5.623 1.865 -5.685 629 HG23 ILE 80 3HG2 ILE 80 4.094 2.709 -5.434 630 HD11 ILE 80 1HD1 ILE 80 7.204 3.383 -3.430 631 HD12 ILE 80 2HD1 ILE 80 7.087 5.141 -3.565 632 HD13 ILE 80 3HD1 ILE 80 8.640 4.339 -3.794 633 H GLY 81 H GLY 81 4.332 2.083 -8.164 634 HA2 GLY 81 2HA GLY 81 5.709 1.258 -10.373 635 HA3 GLY 81 1HA GLY 81 6.558 0.491 -9.028 636 H GLU 82 H GLU 82 5.885 -1.564 -9.876 637 HA GLU 82 HA GLU 82 3.091 -2.255 -9.137 638 HB2 GLU 82 2HB GLU 82 3.202 -4.134 -10.711 639 HB3 GLU 82 1HB GLU 82 3.487 -2.612 -11.551 640 HG2 GLU 82 2HG GLU 82 5.845 -3.050 -11.734 641 HG3 GLU 82 1HG GLU 82 5.736 -4.441 -10.655 642 H LEU 83 H LEU 83 2.800 -4.176 -7.942 643 HA LEU 83 HA LEU 83 5.023 -5.023 -6.299 644 HB2 LEU 83 2HB LEU 83 2.500 -4.767 -5.644 645 HB3 LEU 83 1HB LEU 83 2.274 -6.327 -6.400 646 HG LEU 83 HG LEU 83 2.460 -6.440 -3.920 647 HD11 LEU 83 1HD1 LEU 83 3.110 -8.401 -5.239 648 HD12 LEU 83 2HD1 LEU 83 3.945 -8.291 -3.696 649 HD13 LEU 83 3HD1 LEU 83 4.790 -7.868 -5.188 650 HD21 LEU 83 1HD2 LEU 83 3.975 -4.568 -3.563 651 HD22 LEU 83 2HD2 LEU 83 5.301 -5.472 -4.288 652 HD23 LEU 83 3HD2 LEU 83 4.576 -6.024 -2.779 653 H HIS 84 H HIS 84 5.951 -7.053 -6.340 654 HA HIS 84 HA HIS 84 6.636 -8.149 -8.776 655 HB2 HIS 84 2HB HIS 84 7.940 -8.243 -6.592 656 HB3 HIS 84 1HB HIS 84 6.874 -9.542 -6.070 657 HD1 HIS 84 HD1 HIS 84 8.462 -11.507 -6.105 658 HD2 HIS 84 HD2 HIS 84 8.685 -9.230 -9.570 659 HE1 HIS 84 HE1 HIS 84 9.987 -12.775 -7.639 660 HE2 HIS 84 HE2 HIS 84 9.962 -11.459 -9.786 661 HA PRO 85 HA PRO 85 2.891 -10.402 -9.942 662 HB2 PRO 85 2HB PRO 85 4.667 -12.339 -11.310 663 HB3 PRO 85 1HB PRO 85 3.482 -11.220 -11.994 664 HG2 PRO 85 2HG PRO 85 6.348 -10.924 -11.839 665 HG3 PRO 85 1HG PRO 85 5.173 -9.871 -12.646 666 HD2 PRO 85 2HD PRO 85 6.627 -9.168 -10.400 667 HD3 PRO 85 1HD PRO 85 5.112 -8.397 -10.891 668 H ASP 86 H ASP 86 5.697 -12.302 -8.842 669 HA ASP 86 HA ASP 86 4.275 -14.580 -7.932 670 HB2 ASP 86 2HB ASP 86 6.700 -14.620 -8.433 671 HB3 ASP 86 1HB ASP 86 7.018 -13.523 -7.094 672 H ASP 87 H ASP 87 5.542 -11.713 -6.207 673 HA ASP 87 HA ASP 87 5.101 -12.727 -3.600 674 HB2 ASP 87 2HB ASP 87 5.896 -10.072 -4.743 675 HB3 ASP 87 1HB ASP 87 5.286 -10.052 -3.099 676 H ARG 88 H ARG 88 3.003 -10.768 -5.669 677 HA ARG 88 HA ARG 88 1.207 -9.920 -3.632 678 HB2 ARG 88 2HB ARG 88 -0.311 -9.334 -5.554 679 HB3 ARG 88 1HB ARG 88 1.304 -8.654 -5.647 680 HG2 ARG 88 2HG ARG 88 1.017 -9.321 -7.837 681 HG3 ARG 88 1HG ARG 88 1.792 -10.754 -7.179 682 HD2 ARG 88 2HD ARG 88 -0.405 -11.847 -6.948 683 HD3 ARG 88 1HD ARG 88 -1.203 -10.398 -7.570 684 HE ARG 88 HE ARG 88 0.752 -11.388 -9.401 685 HH11 ARG 88 1HH1 ARG 88 -2.507 -12.084 -8.233 686 HH12 ARG 88 2HH1 ARG 88 -2.984 -12.864 -9.712 687 HH21 ARG 88 1HH2 ARG 88 0.060 -12.373 -11.347 688 HH22 ARG 88 2HH2 ARG 88 -1.546 -13.025 -11.448 689 H SER 89 H SER 89 1.434 -12.872 -5.466 690 HA SER 89 HA SER 89 -1.100 -13.925 -4.406 691 HB2 SER 89 2HB SER 89 -0.488 -14.312 -6.812 692 HB3 SER 89 1HB SER 89 0.918 -15.239 -6.287 693 HG SER 89 HG SER 89 -0.353 -16.868 -5.732 694 H LYS 90 H LYS 90 2.332 -14.035 -3.896 695 HA LYS 90 HA LYS 90 2.650 -16.520 -2.571 696 HB2 LYS 90 2HB LYS 90 4.531 -15.305 -3.559 697 HB3 LYS 90 1HB LYS 90 4.276 -13.946 -2.473 698 HG2 LYS 90 2HG LYS 90 4.929 -15.387 -0.551 699 HG3 LYS 90 1HG LYS 90 5.237 -16.717 -1.674 700 HD2 LYS 90 2HD LYS 90 6.946 -15.286 -2.833 701 HD3 LYS 90 1HD LYS 90 6.672 -14.029 -1.623 702 HE2 LYS 90 2HE LYS 90 7.521 -15.467 0.141 703 HE3 LYS 90 1HE LYS 90 7.633 -16.833 -0.976 704 HZ1 LYS 90 1HZ LYS 90 9.790 -15.911 -0.725 705 HZ2 LYS 90 2HZ LYS 90 9.245 -14.341 -1.025 706 HZ3 LYS 90 3HZ LYS 90 9.258 -15.481 -2.269 707 H ILE 91 H ILE 91 2.393 -13.200 -1.282 708 HA ILE 91 HA ILE 91 1.712 -14.259 1.408 709 HB ILE 91 HB ILE 91 2.737 -11.439 0.804 710 HG12 ILE 91 2HG1 ILE 91 4.433 -13.861 1.585 711 HG13 ILE 91 1HG1 ILE 91 4.456 -13.066 0.016 712 HG21 ILE 91 1HG2 ILE 91 2.747 -13.060 3.387 713 HG22 ILE 91 2HG2 ILE 91 1.635 -11.745 3.007 714 HG23 ILE 91 3HG2 ILE 91 3.356 -11.412 3.202 715 HD11 ILE 91 1HD1 ILE 91 5.348 -11.870 2.639 716 HD12 ILE 91 2HD1 ILE 91 5.322 -11.026 1.087 717 HD13 ILE 91 3HD1 ILE 91 6.373 -12.423 1.315 718 H ALA 92 H ALA 92 -0.122 -14.102 -0.787 719 HA ALA 92 HA ALA 92 -1.907 -11.905 -0.615 720 HB1 ALA 92 1HB ALA 92 -3.524 -13.404 -1.728 721 HB2 ALA 92 2HB ALA 92 -2.465 -14.783 -1.422 722 HB3 ALA 92 3HB ALA 92 -1.938 -13.486 -2.494 723 H LYS 93 H LYS 93 -1.580 -14.912 1.221 724 HA LYS 93 HA LYS 93 -3.089 -13.784 3.423 725 HB2 LYS 93 2HB LYS 93 -4.513 -15.798 3.755 726 HB3 LYS 93 1HB LYS 93 -4.913 -14.908 2.303 727 HG2 LYS 93 2HG LYS 93 -3.220 -17.429 2.237 728 HG3 LYS 93 1HG LYS 93 -4.976 -17.473 2.176 729 HD2 LYS 93 2HD LYS 93 -3.166 -16.114 0.142 730 HD3 LYS 93 1HD LYS 93 -3.986 -17.659 -0.078 731 HE2 LYS 93 2HE LYS 93 -5.307 -14.941 0.231 732 HE3 LYS 93 1HE LYS 93 -5.219 -15.906 -1.238 733 HZ1 LYS 93 1HZ LYS 93 -6.624 -17.553 -0.255 734 HZ2 LYS 93 2HZ LYS 93 -7.376 -16.046 -0.093 735 HZ3 LYS 93 3HZ LYS 93 -6.616 -16.758 1.235 736 HA PRO 94 HA PRO 94 0.786 -15.933 4.779 737 HB2 PRO 94 2HB PRO 94 1.389 -14.218 6.835 738 HB3 PRO 94 1HB PRO 94 1.752 -13.838 5.141 739 HG2 PRO 94 2HG PRO 94 -0.585 -12.933 6.802 740 HG3 PRO 94 1HG PRO 94 0.469 -11.978 5.730 741 HD2 PRO 94 2HD PRO 94 -1.965 -12.851 4.913 742 HD3 PRO 94 1HD PRO 94 -0.589 -12.728 3.792 743 H SER 95 H SER 95 1.027 -17.495 6.335 744 HA SER 95 HA SER 95 -1.084 -17.758 8.412 745 HB2 SER 95 2HB SER 95 0.473 -19.977 7.009 746 HB3 SER 95 1HB SER 95 -0.803 -20.198 8.205 747 HG SER 95 HG SER 95 -1.756 -18.636 6.277 748 H GLU 96 H GLU 96 -0.300 -17.362 10.367 749 HA GLU 96 HA GLU 96 2.390 -17.321 11.207 750 HB2 GLU 96 2HB GLU 96 1.193 -17.525 13.602 751 HB3 GLU 96 1HB GLU 96 1.094 -16.063 12.636 752 HG2 GLU 96 2HG GLU 96 -1.065 -16.652 13.660 753 HG3 GLU 96 1HG GLU 96 -1.143 -16.612 11.903 754 H THR 97 H THR 97 0.152 -19.975 10.999 755 HA THR 97 HA THR 97 1.657 -21.840 12.617 756 HB THR 97 HB THR 97 -0.793 -22.021 12.439 757 HG1 THR 97 HG1 THR 97 0.653 -23.949 12.666 758 HG21 THR 97 1HG2 THR 97 -1.096 -21.264 10.105 759 HG22 THR 97 2HG2 THR 97 -1.894 -22.811 10.386 760 HG23 THR 97 3HG2 THR 97 -0.357 -22.757 9.522 761 H LEU 98 H LEU 98 1.941 -20.695 9.410 762 HA LEU 98 HA LEU 98 3.443 -23.070 8.477 763 HB2 LEU 98 2HB LEU 98 1.606 -22.363 7.002 764 HB3 LEU 98 1HB LEU 98 2.243 -20.728 6.946 765 HG LEU 98 HG LEU 98 4.238 -21.533 5.703 766 HD11 LEU 98 1HD1 LEU 98 2.914 -24.257 5.714 767 HD12 LEU 98 2HD1 LEU 98 4.393 -23.810 6.568 768 HD13 LEU 98 3HD1 LEU 98 4.361 -23.805 4.808 769 HD21 LEU 98 1HD2 LEU 98 2.311 -20.707 4.448 770 HD22 LEU 98 2HD2 LEU 98 1.604 -22.325 4.415 771 HD23 LEU 98 3HD2 LEU 98 3.116 -22.001 3.563 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 19.002 3.080 -6.237 2 H2 ALA 1 2H ALA 1 20.342 2.168 -6.705 3 H3 ALA 1 3H ALA 1 19.535 1.797 -5.266 4 HA ALA 1 HA ALA 1 18.997 0.223 -6.993 5 HB1 ALA 1 1HB ALA 1 16.682 2.054 -6.254 6 HB2 ALA 1 2HB ALA 1 17.307 0.727 -5.274 7 HB3 ALA 1 3HB ALA 1 16.532 0.388 -6.822 8 H GLU 2 H GLU 2 19.788 0.407 -9.055 9 HA GLU 2 HA GLU 2 18.719 2.470 -10.887 10 HB2 GLU 2 2HB GLU 2 21.165 0.693 -11.287 11 HB3 GLU 2 1HB GLU 2 20.684 2.069 -12.277 12 HG2 GLU 2 2HG GLU 2 21.722 2.128 -9.425 13 HG3 GLU 2 1HG GLU 2 22.560 2.685 -10.870 14 H GLN 3 H GLN 3 16.731 1.112 -10.868 15 HA GLN 3 HA GLN 3 16.791 -1.362 -12.413 16 HB2 GLN 3 2HB GLN 3 14.262 -1.314 -12.192 17 HB3 GLN 3 1HB GLN 3 15.142 -1.440 -10.692 18 HG2 GLN 3 2HG GLN 3 14.029 1.190 -11.689 19 HG3 GLN 3 1HG GLN 3 13.076 0.064 -10.722 20 HE21 GLN 3 1HE2 GLN 3 13.838 2.766 -10.040 21 HE22 GLN 3 2HE2 GLN 3 14.773 2.681 -8.594 22 H SER 4 H SER 4 15.322 -1.630 -14.277 23 HA SER 4 HA SER 4 15.953 0.097 -16.396 24 HB2 SER 4 2HB SER 4 14.264 -1.275 -17.686 25 HB3 SER 4 1HB SER 4 15.443 -2.250 -16.811 26 HG SER 4 HG SER 4 12.706 -1.970 -16.407 27 H ASP 5 H ASP 5 12.964 -0.341 -14.533 28 HA ASP 5 HA ASP 5 11.879 2.202 -15.640 29 HB2 ASP 5 2HB ASP 5 10.276 0.028 -14.213 30 HB3 ASP 5 1HB ASP 5 9.654 1.416 -15.101 31 H LYS 6 H LYS 6 13.033 3.523 -14.197 32 HA LYS 6 HA LYS 6 12.920 3.172 -11.335 33 HB2 LYS 6 2HB LYS 6 13.765 5.566 -13.020 34 HB3 LYS 6 1HB LYS 6 13.993 5.433 -11.274 35 HG2 LYS 6 2HG LYS 6 15.481 3.504 -11.582 36 HG3 LYS 6 1HG LYS 6 15.198 3.539 -13.328 37 HD2 LYS 6 2HD LYS 6 16.273 5.774 -13.449 38 HD3 LYS 6 1HD LYS 6 16.557 5.734 -11.705 39 HE2 LYS 6 2HE LYS 6 18.032 3.785 -11.980 40 HE3 LYS 6 1HE LYS 6 17.708 3.765 -13.715 41 HZ1 LYS 6 1HZ LYS 6 18.998 6.004 -12.260 42 HZ2 LYS 6 2HZ LYS 6 18.769 5.890 -13.932 43 HZ3 LYS 6 3HZ LYS 6 19.819 4.824 -13.143 44 H ASP 7 H ASP 7 10.620 4.191 -13.543 45 HA ASP 7 HA ASP 7 8.972 5.569 -11.546 46 HB2 ASP 7 2HB ASP 7 8.893 6.455 -13.836 47 HB3 ASP 7 1HB ASP 7 8.485 4.864 -14.476 48 H VAL 8 H VAL 8 8.610 2.716 -13.748 49 HA VAL 8 HA VAL 8 6.610 1.506 -11.988 50 HB VAL 8 HB VAL 8 7.823 0.337 -14.540 51 HG11 VAL 8 1HG1 VAL 8 5.270 -0.401 -13.052 52 HG12 VAL 8 2HG1 VAL 8 6.746 -1.366 -13.127 53 HG13 VAL 8 3HG1 VAL 8 5.797 -1.094 -14.589 54 HG21 VAL 8 1HG2 VAL 8 6.747 2.502 -15.031 55 HG22 VAL 8 2HG2 VAL 8 5.266 1.959 -14.242 56 HG23 VAL 8 3HG2 VAL 8 5.816 1.168 -15.719 57 H LYS 9 H LYS 9 8.019 1.330 -10.177 58 HA LYS 9 HA LYS 9 10.387 -0.358 -10.266 59 HB2 LYS 9 2HB LYS 9 9.043 1.083 -7.935 60 HB3 LYS 9 1HB LYS 9 10.647 0.349 -7.912 61 HG2 LYS 9 2HG LYS 9 11.458 1.975 -9.546 62 HG3 LYS 9 1HG LYS 9 9.843 2.659 -9.713 63 HD2 LYS 9 2HD LYS 9 11.117 4.141 -8.319 64 HD3 LYS 9 1HD LYS 9 9.934 3.337 -7.292 65 HE2 LYS 9 2HE LYS 9 12.800 2.371 -7.512 66 HE3 LYS 9 1HE LYS 9 12.315 3.613 -6.366 67 HZ1 LYS 9 1HZ LYS 9 11.266 0.837 -6.453 68 HZ2 LYS 9 2HZ LYS 9 10.781 2.038 -5.363 69 HZ3 LYS 9 3HZ LYS 9 12.370 1.458 -5.333 70 H TYR 10 H TYR 10 10.327 -2.486 -9.902 71 HA TYR 10 HA TYR 10 7.940 -3.861 -9.054 72 HB2 TYR 10 2HB TYR 10 10.704 -4.823 -9.890 73 HB3 TYR 10 1HB TYR 10 9.478 -5.932 -9.281 74 HD1 TYR 10 HD1 TYR 10 8.314 -7.099 -10.948 75 HD2 TYR 10 HD2 TYR 10 9.614 -3.110 -11.799 76 HE1 TYR 10 HE1 TYR 10 7.347 -7.259 -13.201 77 HE2 TYR 10 HE2 TYR 10 8.648 -3.271 -14.047 78 HH TYR 10 HH TYR 10 6.434 -5.518 -14.942 79 H TYR 11 H TYR 11 7.564 -3.250 -6.963 80 HA TYR 11 HA TYR 11 9.446 -3.799 -4.813 81 HB2 TYR 11 2HB TYR 11 6.509 -2.972 -4.893 82 HB3 TYR 11 1HB TYR 11 7.263 -3.477 -3.380 83 HD1 TYR 11 HD1 TYR 11 8.353 -1.874 -2.056 84 HD2 TYR 11 HD2 TYR 11 7.750 -1.028 -6.204 85 HE1 TYR 11 HE1 TYR 11 9.241 0.387 -1.724 86 HE2 TYR 11 HE2 TYR 11 8.643 1.231 -5.876 87 HH TYR 11 HH TYR 11 10.266 2.165 -2.984 88 H THR 12 H THR 12 9.238 -5.540 -3.325 89 HA THR 12 HA THR 12 7.584 -7.839 -4.203 90 HB THR 12 HB THR 12 9.140 -9.226 -2.768 91 HG1 THR 12 HG1 THR 12 10.539 -8.252 -1.577 92 HG21 THR 12 1HG2 THR 12 9.541 -9.126 -5.193 93 HG22 THR 12 2HG2 THR 12 11.068 -9.198 -4.316 94 HG23 THR 12 3HG2 THR 12 10.516 -7.665 -4.994 95 H LEU 13 H LEU 13 6.208 -8.760 -2.691 96 HA LEU 13 HA LEU 13 5.209 -7.036 -0.640 97 HB2 LEU 13 2HB LEU 13 3.978 -8.797 -2.218 98 HB3 LEU 13 1HB LEU 13 4.326 -9.914 -0.912 99 HG LEU 13 HG LEU 13 2.936 -8.661 0.639 100 HD11 LEU 13 1HD1 LEU 13 2.616 -6.573 -1.548 101 HD12 LEU 13 2HD1 LEU 13 3.510 -6.379 -0.036 102 HD13 LEU 13 3HD1 LEU 13 1.763 -6.590 0.002 103 HD21 LEU 13 1HD2 LEU 13 0.740 -8.830 -0.443 104 HD22 LEU 13 2HD2 LEU 13 1.755 -10.201 -0.883 105 HD23 LEU 13 3HD2 LEU 13 1.508 -8.886 -2.036 106 H GLU 14 H GLU 14 7.374 -9.749 -0.768 107 HA GLU 14 HA GLU 14 7.701 -10.354 1.949 108 HB2 GLU 14 2HB GLU 14 8.675 -11.634 0.048 109 HB3 GLU 14 1HB GLU 14 9.779 -10.303 -0.278 110 HG2 GLU 14 2HG GLU 14 10.919 -10.670 1.854 111 HG3 GLU 14 1HG GLU 14 9.753 -11.922 2.294 112 H GLU 15 H GLU 15 9.105 -7.782 -0.058 113 HA GLU 15 HA GLU 15 10.779 -6.582 1.905 114 HB2 GLU 15 2HB GLU 15 10.986 -6.184 -0.550 115 HB3 GLU 15 1HB GLU 15 9.435 -5.363 -0.547 116 HG2 GLU 15 2HG GLU 15 11.143 -3.701 -0.640 117 HG3 GLU 15 1HG GLU 15 10.404 -3.619 0.961 118 H ILE 16 H ILE 16 7.417 -6.017 0.856 119 HA ILE 16 HA ILE 16 7.019 -3.711 2.554 120 HB ILE 16 HB ILE 16 4.823 -5.234 1.070 121 HG12 ILE 16 2HG1 ILE 16 6.649 -3.039 -0.042 122 HG13 ILE 16 1HG1 ILE 16 6.606 -4.714 -0.570 123 HG21 ILE 16 1HG2 ILE 16 4.068 -3.531 2.705 124 HG22 ILE 16 2HG2 ILE 16 3.674 -3.046 1.059 125 HG23 ILE 16 3HG2 ILE 16 5.042 -2.304 1.893 126 HD11 ILE 16 1HD1 ILE 16 4.392 -2.692 -0.883 127 HD12 ILE 16 2HD1 ILE 16 4.309 -4.386 -1.375 128 HD13 ILE 16 3HD1 ILE 16 5.463 -3.300 -2.145 129 H GLN 17 H GLN 17 6.889 -7.076 3.068 130 HA GLN 17 HA GLN 17 4.906 -7.256 5.082 131 HB2 GLN 17 2HB GLN 17 5.921 -9.230 3.933 132 HB3 GLN 17 1HB GLN 17 7.427 -8.945 4.792 133 HG2 GLN 17 2HG GLN 17 6.025 -10.781 5.769 134 HG3 GLN 17 1HG GLN 17 6.424 -9.498 6.909 135 HE21 GLN 17 1HE2 GLN 17 4.691 -10.002 8.264 136 HE22 GLN 17 2HE2 GLN 17 3.046 -9.681 7.854 137 H LYS 18 H LYS 18 8.019 -5.803 5.071 138 HA LYS 18 HA LYS 18 8.351 -5.507 7.924 139 HB2 LYS 18 2HB LYS 18 10.164 -5.489 6.046 140 HB3 LYS 18 1HB LYS 18 9.662 -3.831 5.740 141 HG2 LYS 18 2HG LYS 18 10.237 -3.274 8.113 142 HG3 LYS 18 1HG LYS 18 10.824 -4.929 8.323 143 HD2 LYS 18 2HD LYS 18 12.462 -4.465 6.424 144 HD3 LYS 18 1HD LYS 18 11.959 -2.772 6.496 145 HE2 LYS 18 2HE LYS 18 14.013 -3.062 7.775 146 HE3 LYS 18 1HE LYS 18 12.692 -2.703 8.888 147 HZ1 LYS 18 1HZ LYS 18 12.525 -5.099 9.349 148 HZ2 LYS 18 2HZ LYS 18 14.051 -4.482 9.738 149 HZ3 LYS 18 3HZ LYS 18 13.844 -5.382 8.330 150 H HIS 19 H HIS 19 5.728 -4.620 6.824 151 HA HIS 19 HA HIS 19 5.610 -1.790 6.457 152 HB2 HIS 19 2HB HIS 19 3.102 -2.167 6.508 153 HB3 HIS 19 1HB HIS 19 3.970 -3.143 5.333 154 HD1 HIS 19 HD1 HIS 19 3.816 -5.661 5.554 155 HD2 HIS 19 HD2 HIS 19 2.053 -3.677 8.748 156 HE1 HIS 19 HE1 HIS 19 2.571 -7.422 6.828 157 HE2 HIS 19 HE2 HIS 19 1.288 -6.136 8.569 158 H LYS 20 H LYS 20 6.246 -3.296 9.301 159 HA LYS 20 HA LYS 20 4.423 -2.210 11.152 160 HB2 LYS 20 2HB LYS 20 6.037 -4.092 11.617 161 HB3 LYS 20 1HB LYS 20 7.344 -2.913 11.663 162 HG2 LYS 20 2HG LYS 20 6.105 -1.773 13.577 163 HG3 LYS 20 1HG LYS 20 4.996 -3.145 13.575 164 HD2 LYS 20 2HD LYS 20 6.676 -3.472 15.307 165 HD3 LYS 20 1HD LYS 20 6.915 -4.673 14.034 166 HE2 LYS 20 2HE LYS 20 8.806 -3.419 13.139 167 HE3 LYS 20 1HE LYS 20 8.502 -2.086 14.256 168 HZ1 LYS 20 1HZ LYS 20 9.076 -3.507 16.095 169 HZ2 LYS 20 2HZ LYS 20 10.333 -3.524 14.963 170 HZ3 LYS 20 3HZ LYS 20 9.275 -4.835 15.067 171 H ASP 21 H ASP 21 7.405 -0.876 9.727 172 HA ASP 21 HA ASP 21 7.204 1.627 11.221 173 HB2 ASP 21 2HB ASP 21 9.121 0.677 9.044 174 HB3 ASP 21 1HB ASP 21 9.113 2.344 9.607 175 H SER 22 H SER 22 6.543 3.523 10.399 176 HA SER 22 HA SER 22 4.452 3.653 8.539 177 HB2 SER 22 2HB SER 22 6.138 6.036 9.420 178 HB3 SER 22 1HB SER 22 4.410 6.000 9.041 179 HG SER 22 HG SER 22 4.382 4.418 10.901 180 H LYS 23 H LYS 23 7.865 3.950 8.126 181 HA LYS 23 HA LYS 23 7.758 5.435 5.621 182 HB2 LYS 23 2HB LYS 23 10.299 5.275 5.796 183 HB3 LYS 23 1HB LYS 23 9.479 6.144 7.074 184 HG2 LYS 23 2HG LYS 23 11.065 4.936 8.262 185 HG3 LYS 23 1HG LYS 23 9.632 3.927 8.431 186 HD2 LYS 23 2HD LYS 23 11.571 2.535 7.989 187 HD3 LYS 23 1HD LYS 23 10.477 2.458 6.606 188 HE2 LYS 23 2HE LYS 23 12.861 2.641 5.925 189 HE3 LYS 23 1HE LYS 23 11.912 4.012 5.350 190 HZ1 LYS 23 1HZ LYS 23 13.685 3.993 7.733 191 HZ2 LYS 23 2HZ LYS 23 12.765 5.311 7.215 192 HZ3 LYS 23 3HZ LYS 23 14.020 4.728 6.251 193 H SER 24 H SER 24 7.889 2.166 6.641 194 HA SER 24 HA SER 24 8.563 1.185 3.934 195 HB2 SER 24 2HB SER 24 8.911 -1.015 5.213 196 HB3 SER 24 1HB SER 24 10.074 0.258 5.572 197 HG SER 24 HG SER 24 7.820 -0.489 7.120 198 H THR 25 H THR 25 5.998 2.343 4.713 199 HA THR 25 HA THR 25 4.160 0.028 4.833 200 HB THR 25 HB THR 25 3.614 2.995 5.366 201 HG1 THR 25 HG1 THR 25 4.487 0.927 6.960 202 HG21 THR 25 1HG2 THR 25 1.447 2.274 6.263 203 HG22 THR 25 2HG2 THR 25 1.815 0.596 5.865 204 HG23 THR 25 3HG2 THR 25 1.589 1.777 4.575 205 H TRP 26 H TRP 26 3.800 -0.601 2.783 206 HA TRP 26 HA TRP 26 2.607 1.326 0.875 207 HB2 TRP 26 2HB TRP 26 4.397 -1.023 0.075 208 HB3 TRP 26 1HB TRP 26 3.670 0.147 -1.015 209 HD1 TRP 26 HD TRP 26 4.677 2.774 -0.697 210 HE1 TRP 26 HE1 TRP 26 7.089 3.509 -0.276 211 HE3 TRP 26 HE3 TRP 26 6.549 -1.610 1.134 212 HZ2 TRP 26 HZ2 TRP 26 9.482 2.390 0.706 213 HZ3 TRP 26 HZ3 TRP 26 8.920 -1.702 1.790 214 HH2 TRP 26 HH TRP 26 10.359 0.265 1.578 215 H VAL 27 H VAL 27 1.040 0.212 -0.611 216 HA VAL 27 HA VAL 27 -0.085 -2.317 0.499 217 HB VAL 27 HB VAL 27 -2.399 -1.441 0.013 218 HG11 VAL 27 1HG1 VAL 27 -2.619 -0.062 2.049 219 HG12 VAL 27 2HG1 VAL 27 -0.863 0.102 2.123 220 HG13 VAL 27 3HG1 VAL 27 -1.609 -1.486 2.313 221 HG21 VAL 27 1HG2 VAL 27 -1.817 0.348 -1.580 222 HG22 VAL 27 2HG2 VAL 27 -1.007 1.253 -0.296 223 HG23 VAL 27 3HG2 VAL 27 -2.753 0.996 -0.233 224 H ILE 28 H ILE 28 -1.365 -3.571 -0.996 225 HA ILE 28 HA ILE 28 -1.004 -2.924 -3.869 226 HB ILE 28 HB ILE 28 -0.287 -5.173 -4.421 227 HG12 ILE 28 2HG1 ILE 28 0.363 -6.638 -2.116 228 HG13 ILE 28 1HG1 ILE 28 -1.157 -5.899 -1.641 229 HG21 ILE 28 1HG2 ILE 28 1.907 -5.290 -3.223 230 HG22 ILE 28 2HG2 ILE 28 1.328 -4.067 -2.100 231 HG23 ILE 28 3HG2 ILE 28 1.511 -3.675 -3.811 232 HD11 ILE 28 1HD1 ILE 28 -0.728 -7.637 -4.068 233 HD12 ILE 28 2HD1 ILE 28 -2.257 -6.915 -3.553 234 HD13 ILE 28 3HD1 ILE 28 -1.468 -8.122 -2.541 235 H LEU 29 H LEU 29 -2.730 -3.384 -5.142 236 HA LEU 29 HA LEU 29 -5.252 -4.051 -3.880 237 HB2 LEU 29 2HB LEU 29 -4.477 -3.280 -6.712 238 HB3 LEU 29 1HB LEU 29 -6.087 -3.867 -6.362 239 HG LEU 29 HG LEU 29 -5.986 -1.393 -6.517 240 HD11 LEU 29 1HD1 LEU 29 -7.251 -0.849 -4.518 241 HD12 LEU 29 2HD1 LEU 29 -6.721 -2.343 -3.739 242 HD13 LEU 29 3HD1 LEU 29 -7.746 -2.404 -5.177 243 HD21 LEU 29 1HD2 LEU 29 -4.249 -1.480 -4.037 244 HD22 LEU 29 2HD2 LEU 29 -4.901 -0.032 -4.811 245 HD23 LEU 29 3HD2 LEU 29 -3.721 -1.028 -5.658 246 H HIS 30 H HIS 30 -3.036 -5.566 -6.215 247 HA HIS 30 HA HIS 30 -3.655 -8.200 -5.461 248 HB2 HIS 30 2HB HIS 30 -5.802 -7.798 -6.684 249 HB3 HIS 30 1HB HIS 30 -4.898 -7.428 -8.149 250 HD1 HIS 30 HD1 HIS 30 -4.489 -9.383 -9.665 251 HD2 HIS 30 HD2 HIS 30 -5.357 -10.607 -5.787 252 HE1 HIS 30 HE1 HIS 30 -4.574 -11.890 -9.748 253 HE2 HIS 30 HE2 HIS 30 -5.288 -12.586 -7.440 254 H HIS 31 H HIS 31 -2.391 -6.053 -7.965 255 HA HIS 31 HA HIS 31 -0.106 -7.897 -8.409 256 HB2 HIS 31 2HB HIS 31 -1.577 -8.126 -10.360 257 HB3 HIS 31 1HB HIS 31 -1.643 -6.379 -10.572 258 HD1 HIS 31 HD1 HIS 31 0.751 -9.291 -10.932 259 HD2 HIS 31 HD2 HIS 31 0.453 -5.308 -12.062 260 HE1 HIS 31 HE1 HIS 31 2.688 -8.883 -12.466 261 HE2 HIS 31 HE2 HIS 31 2.582 -6.419 -12.975 262 H LYS 32 H LYS 32 -1.246 -4.606 -8.132 263 HA LYS 32 HA LYS 32 1.414 -3.509 -8.848 264 HB2 LYS 32 2HB LYS 32 -0.505 -2.935 -10.362 265 HB3 LYS 32 1HB LYS 32 -1.335 -2.196 -8.997 266 HG2 LYS 32 2HG LYS 32 0.503 -0.542 -8.799 267 HG3 LYS 32 1HG LYS 32 1.295 -1.271 -10.202 268 HD2 LYS 32 2HD LYS 32 -1.462 0.015 -10.201 269 HD3 LYS 32 1HD LYS 32 0.014 0.788 -10.765 270 HE2 LYS 32 2HE LYS 32 0.206 -0.854 -12.578 271 HE3 LYS 32 1HE LYS 32 -1.213 -1.715 -11.978 272 HZ1 LYS 32 1HZ LYS 32 -2.547 0.244 -12.407 273 HZ2 LYS 32 2HZ LYS 32 -1.773 -0.265 -13.818 274 HZ3 LYS 32 3HZ LYS 32 -1.193 1.084 -12.978 275 H VAL 33 H VAL 33 2.228 -1.792 -7.555 276 HA VAL 33 HA VAL 33 1.223 -1.781 -4.768 277 HB VAL 33 HB VAL 33 3.520 -2.791 -5.035 278 HG11 VAL 33 1HG1 VAL 33 4.377 -0.022 -5.962 279 HG12 VAL 33 2HG1 VAL 33 4.339 -1.478 -6.951 280 HG13 VAL 33 3HG1 VAL 33 5.459 -1.369 -5.596 281 HG21 VAL 33 1HG2 VAL 33 2.887 -1.715 -2.914 282 HG22 VAL 33 2HG2 VAL 33 3.487 -0.162 -3.500 283 HG23 VAL 33 3HG2 VAL 33 4.610 -1.498 -3.234 284 H TYR 34 H TYR 34 0.837 0.122 -3.797 285 HA TYR 34 HA TYR 34 1.461 2.684 -5.125 286 HB2 TYR 34 2HB TYR 34 -1.111 1.907 -3.665 287 HB3 TYR 34 1HB TYR 34 -0.713 3.551 -4.161 288 HD1 TYR 34 HD1 TYR 34 -0.198 3.899 -6.701 289 HD2 TYR 34 HD2 TYR 34 -2.325 0.518 -5.209 290 HE1 TYR 34 HE1 TYR 34 -1.177 3.543 -8.920 291 HE2 TYR 34 HE2 TYR 34 -3.316 0.170 -7.433 292 HH TYR 34 HH TYR 34 -3.798 1.422 -9.450 293 H ASP 35 H ASP 35 2.041 4.350 -3.774 294 HA ASP 35 HA ASP 35 3.425 3.633 -1.420 295 HB2 ASP 35 2HB ASP 35 4.251 5.419 -2.935 296 HB3 ASP 35 1HB ASP 35 2.847 6.410 -2.530 297 H LEU 36 H LEU 36 2.659 3.487 0.554 298 HA LEU 36 HA LEU 36 0.145 4.842 1.323 299 HB2 LEU 36 2HB LEU 36 0.613 2.209 1.418 300 HB3 LEU 36 1HB LEU 36 1.432 2.607 2.909 301 HG LEU 36 HG LEU 36 -0.835 1.795 3.341 302 HD11 LEU 36 1HD1 LEU 36 -1.704 3.531 4.754 303 HD12 LEU 36 2HD1 LEU 36 -0.713 4.743 3.942 304 HD13 LEU 36 3HD1 LEU 36 0.049 3.464 4.889 305 HD21 LEU 36 1HD2 LEU 36 -1.879 2.422 1.239 306 HD22 LEU 36 2HD2 LEU 36 -1.823 4.123 1.690 307 HD23 LEU 36 3HD2 LEU 36 -2.826 2.995 2.607 308 H THR 37 H THR 37 3.546 4.800 1.741 309 HA THR 37 HA THR 37 4.051 5.490 4.365 310 HB THR 37 HB THR 37 5.519 6.323 1.825 311 HG1 THR 37 HG1 THR 37 5.229 3.992 2.670 312 HG21 THR 37 1HG2 THR 37 6.242 7.828 3.620 313 HG22 THR 37 2HG2 THR 37 7.518 6.659 3.273 314 HG23 THR 37 3HG2 THR 37 6.502 6.456 4.700 315 H LYS 38 H LYS 38 3.229 7.649 1.674 316 HA LYS 38 HA LYS 38 3.178 10.015 3.421 317 HB2 LYS 38 2HB LYS 38 4.326 9.886 1.085 318 HB3 LYS 38 1HB LYS 38 2.708 9.951 0.419 319 HG2 LYS 38 2HG LYS 38 3.775 12.096 2.279 320 HG3 LYS 38 1HG LYS 38 4.082 12.136 0.553 321 HD2 LYS 38 2HD LYS 38 2.114 13.207 0.232 322 HD3 LYS 38 1HD LYS 38 1.252 11.797 0.827 323 HE2 LYS 38 2HE LYS 38 1.324 12.692 3.107 324 HE3 LYS 38 1HE LYS 38 2.273 14.065 2.556 325 HZ1 LYS 38 1HZ LYS 38 -0.509 13.430 1.714 326 HZ2 LYS 38 2HZ LYS 38 0.400 14.751 1.171 327 HZ3 LYS 38 3HZ LYS 38 -0.050 14.646 2.795 328 H PHE 39 H PHE 39 1.063 7.774 1.727 329 HA PHE 39 HA PHE 39 -1.322 9.270 1.661 330 HB2 PHE 39 2HB PHE 39 -0.974 7.151 0.396 331 HB3 PHE 39 1HB PHE 39 -1.010 6.244 1.903 332 HD1 PHE 39 HD1 PHE 39 -3.107 8.467 -0.271 333 HD2 PHE 39 HD2 PHE 39 -3.099 5.450 2.757 334 HE1 PHE 39 HE1 PHE 39 -5.536 8.207 -0.513 335 HE2 PHE 39 HE2 PHE 39 -5.525 5.200 2.505 336 HZ PHE 39 HZ PHE 39 -6.745 6.575 0.872 337 H LEU 40 H LEU 40 0.198 7.500 4.315 338 HA LEU 40 HA LEU 40 -2.106 7.638 6.033 339 HB2 LEU 40 2HB LEU 40 -0.593 6.824 7.808 340 HB3 LEU 40 1HB LEU 40 -0.628 5.828 6.375 341 HG LEU 40 HG LEU 40 1.624 7.050 5.750 342 HD11 LEU 40 1HD1 LEU 40 1.592 7.537 8.739 343 HD12 LEU 40 2HD1 LEU 40 1.602 8.768 7.476 344 HD13 LEU 40 3HD1 LEU 40 2.993 7.712 7.680 345 HD21 LEU 40 1HD2 LEU 40 1.529 5.008 7.995 346 HD22 LEU 40 2HD2 LEU 40 2.924 5.351 6.963 347 HD23 LEU 40 3HD2 LEU 40 1.463 4.658 6.262 348 H GLU 41 H GLU 41 0.687 9.660 5.409 349 HA GLU 41 HA GLU 41 0.363 11.458 7.609 350 HB2 GLU 41 2HB GLU 41 1.808 11.698 4.940 351 HB3 GLU 41 1HB GLU 41 1.836 12.976 6.158 352 HG2 GLU 41 2HG GLU 41 2.836 10.138 6.589 353 HG3 GLU 41 1HG GLU 41 3.857 11.518 6.187 354 H GLU 42 H GLU 42 -1.270 11.018 4.621 355 HA GLU 42 HA GLU 42 -2.366 13.578 4.173 356 HB2 GLU 42 2HB GLU 42 -2.375 11.398 2.684 357 HB3 GLU 42 1HB GLU 42 -3.833 10.981 3.566 358 HG2 GLU 42 2HG GLU 42 -4.419 12.002 1.451 359 HG3 GLU 42 1HG GLU 42 -4.902 13.071 2.777 360 H PHE 43 H PHE 43 -3.069 11.075 6.493 361 HA PHE 43 HA PHE 43 -5.570 12.341 7.415 362 HB2 PHE 43 2HB PHE 43 -4.407 9.688 8.382 363 HB3 PHE 43 1HB PHE 43 -6.076 10.248 8.506 364 HD1 PHE 43 HD1 PHE 43 -6.944 11.026 5.973 365 HD2 PHE 43 HD2 PHE 43 -4.196 7.883 6.889 366 HE1 PHE 43 HE1 PHE 43 -7.439 9.964 3.839 367 HE2 PHE 43 HE2 PHE 43 -4.704 6.839 4.725 368 HZ PHE 43 HZ PHE 43 -6.325 7.896 3.208 369 HA PRO 44 HA PRO 44 -3.257 14.047 10.954 370 HB2 PRO 44 2HB PRO 44 -5.396 14.508 12.662 371 HB3 PRO 44 1HB PRO 44 -4.994 15.567 11.291 372 HG2 PRO 44 2HG PRO 44 -7.067 13.390 11.450 373 HG3 PRO 44 1HG PRO 44 -7.197 15.011 10.729 374 HD2 PRO 44 2HD PRO 44 -6.784 12.809 9.205 375 HD3 PRO 44 1HD PRO 44 -6.079 14.382 8.774 376 H GLY 45 H GLY 45 -2.088 12.195 11.512 377 HA2 GLY 45 2HA GLY 45 -1.336 10.567 12.939 378 HA3 GLY 45 1HA GLY 45 -2.716 10.892 13.976 379 H GLY 46 H GLY 46 -2.971 9.934 10.579 380 HA2 GLY 46 2HA GLY 46 -4.657 7.646 11.364 381 HA3 GLY 46 1HA GLY 46 -4.556 8.387 9.774 382 H GLU 47 H GLU 47 -1.639 7.635 11.445 383 HA GLU 47 HA GLU 47 -0.682 5.819 9.476 384 HB2 GLU 47 2HB GLU 47 0.695 7.471 10.747 385 HB3 GLU 47 1HB GLU 47 0.396 6.578 12.226 386 HG2 GLU 47 2HG GLU 47 1.807 5.344 9.861 387 HG3 GLU 47 1HG GLU 47 2.664 6.291 11.070 388 H GLU 48 H GLU 48 -1.994 5.480 12.736 389 HA GLU 48 HA GLU 48 -1.376 2.788 13.248 390 HB2 GLU 48 2HB GLU 48 -3.255 2.967 14.954 391 HB3 GLU 48 1HB GLU 48 -2.006 4.200 15.065 392 HG2 GLU 48 2HG GLU 48 -3.426 5.872 14.081 393 HG3 GLU 48 1HG GLU 48 -4.629 4.668 13.619 394 H VAL 49 H VAL 49 -4.187 4.203 11.581 395 HA VAL 49 HA VAL 49 -5.928 1.976 11.976 396 HB VAL 49 HB VAL 49 -6.704 4.330 11.749 397 HG11 VAL 49 1HG1 VAL 49 -6.923 5.412 9.546 398 HG12 VAL 49 2HG1 VAL 49 -6.070 4.066 8.785 399 HG13 VAL 49 3HG1 VAL 49 -5.229 5.104 9.939 400 HG21 VAL 49 1HG2 VAL 49 -7.964 2.461 9.708 401 HG22 VAL 49 2HG2 VAL 49 -8.729 3.887 10.414 402 HG23 VAL 49 3HG2 VAL 49 -8.324 2.509 11.437 403 H LEU 50 H LEU 50 -3.520 2.585 9.608 404 HA LEU 50 HA LEU 50 -4.651 0.599 7.703 405 HB2 LEU 50 2HB LEU 50 -3.232 2.009 5.987 406 HB3 LEU 50 1HB LEU 50 -4.826 2.545 6.479 407 HG LEU 50 HG LEU 50 -3.723 4.089 8.156 408 HD11 LEU 50 1HD1 LEU 50 -1.177 3.354 6.712 409 HD12 LEU 50 2HD1 LEU 50 -1.579 2.992 8.388 410 HD13 LEU 50 3HD1 LEU 50 -1.369 4.661 7.879 411 HD21 LEU 50 1HD2 LEU 50 -3.094 5.796 6.503 412 HD22 LEU 50 2HD2 LEU 50 -4.585 4.969 6.070 413 HD23 LEU 50 3HD2 LEU 50 -3.085 4.566 5.235 414 H ARG 51 H ARG 51 -2.147 1.250 9.809 415 HA ARG 51 HA ARG 51 0.230 0.454 8.618 416 HB2 ARG 51 2HB ARG 51 -0.006 1.517 10.862 417 HB3 ARG 51 1HB ARG 51 -0.694 0.029 11.492 418 HG2 ARG 51 2HG ARG 51 1.579 -1.060 10.799 419 HG3 ARG 51 1HG ARG 51 2.171 0.598 10.665 420 HD2 ARG 51 2HD ARG 51 1.076 -0.780 13.140 421 HD3 ARG 51 1HD ARG 51 2.743 -0.282 12.856 422 HE ARG 51 HE ARG 51 1.352 2.057 12.709 423 HH11 ARG 51 1HH1 ARG 51 1.524 -0.462 15.157 424 HH12 ARG 51 2HH1 ARG 51 1.202 0.619 16.473 425 HH21 ARG 51 1HH2 ARG 51 0.935 3.463 14.457 426 HH22 ARG 51 2HH2 ARG 51 0.863 2.850 16.073 427 H GLU 52 H GLU 52 -2.331 -1.491 10.049 428 HA GLU 52 HA GLU 52 -0.855 -3.903 10.418 429 HB2 GLU 52 2HB GLU 52 -3.876 -3.491 10.378 430 HB3 GLU 52 1HB GLU 52 -3.018 -4.859 11.094 431 HG2 GLU 52 2HG GLU 52 -1.971 -3.310 12.736 432 HG3 GLU 52 1HG GLU 52 -2.871 -1.968 12.031 433 H GLN 53 H GLN 53 -3.460 -3.004 8.134 434 HA GLN 53 HA GLN 53 -3.274 -5.496 6.657 435 HB2 GLN 53 2HB GLN 53 -4.992 -3.026 6.218 436 HB3 GLN 53 1HB GLN 53 -5.114 -4.500 5.256 437 HG2 GLN 53 2HG GLN 53 -5.780 -5.767 7.260 438 HG3 GLN 53 1HG GLN 53 -5.618 -4.309 8.246 439 HE21 GLN 53 1HE2 GLN 53 -7.818 -4.436 8.872 440 HE22 GLN 53 2HE2 GLN 53 -9.104 -4.042 7.783 441 H ALA 54 H ALA 54 -1.539 -2.627 6.505 442 HA ALA 54 HA ALA 54 -0.934 -2.468 3.731 443 HB1 ALA 54 1HB ALA 54 -0.297 -0.700 5.334 444 HB2 ALA 54 2HB ALA 54 1.119 -1.293 4.460 445 HB3 ALA 54 3HB ALA 54 0.825 -1.808 6.125 446 H GLY 55 H GLY 55 0.954 -3.357 2.624 447 HA2 GLY 55 2HA GLY 55 2.387 -5.047 2.000 448 HA3 GLY 55 1HA GLY 55 2.601 -5.424 3.703 449 H GLY 56 H GLY 56 -0.494 -5.437 2.043 450 HA2 GLY 56 2HA GLY 56 -0.598 -8.205 1.364 451 HA3 GLY 56 1HA GLY 56 -1.390 -7.907 2.909 452 H ASP 57 H ASP 57 -2.811 -5.736 2.717 453 HA ASP 57 HA ASP 57 -4.722 -6.257 0.505 454 HB2 ASP 57 2HB ASP 57 -5.428 -6.852 2.899 455 HB3 ASP 57 1HB ASP 57 -5.380 -5.131 3.273 456 H ALA 58 H ALA 58 -5.996 -4.464 -0.232 457 HA ALA 58 HA ALA 58 -5.512 -1.747 0.560 458 HB1 ALA 58 1HB ALA 58 -4.724 -2.500 -2.275 459 HB2 ALA 58 2HB ALA 58 -3.602 -2.077 -0.986 460 HB3 ALA 58 3HB ALA 58 -4.740 -0.870 -1.589 461 H THR 59 H THR 59 -7.083 -4.166 -1.333 462 HA THR 59 HA THR 59 -8.959 -2.738 -2.818 463 HB THR 59 HB THR 59 -10.313 -4.923 -2.664 464 HG1 THR 59 HG1 THR 59 -9.748 -5.853 -0.788 465 HG21 THR 59 1HG2 THR 59 -8.678 -4.583 -4.485 466 HG22 THR 59 2HG2 THR 59 -8.665 -6.260 -3.940 467 HG23 THR 59 3HG2 THR 59 -7.376 -5.162 -3.440 468 H GLU 60 H GLU 60 -9.101 -3.886 0.544 469 HA GLU 60 HA GLU 60 -11.597 -2.377 0.999 470 HB2 GLU 60 2HB GLU 60 -10.079 -4.139 2.969 471 HB3 GLU 60 1HB GLU 60 -11.730 -3.536 3.126 472 HG2 GLU 60 2HG GLU 60 -10.703 -5.655 1.204 473 HG3 GLU 60 1HG GLU 60 -11.799 -5.888 2.564 474 H ASN 61 H ASN 61 -8.235 -2.662 2.148 475 HA ASN 61 HA ASN 61 -8.388 -0.879 4.290 476 HB2 ASN 61 2HB ASN 61 -6.612 -2.576 4.125 477 HB3 ASN 61 1HB ASN 61 -5.928 -1.762 2.720 478 HD21 ASN 61 1HD2 ASN 61 -4.697 0.119 3.031 479 HD22 ASN 61 2HD2 ASN 61 -4.177 0.637 4.587 480 H PHE 62 H PHE 62 -6.686 -0.268 1.189 481 HA PHE 62 HA PHE 62 -5.762 2.284 1.702 482 HB2 PHE 62 2HB PHE 62 -4.980 0.858 -0.161 483 HB3 PHE 62 1HB PHE 62 -6.526 1.029 -0.973 484 HD1 PHE 62 HD1 PHE 62 -3.495 2.920 0.098 485 HD2 PHE 62 HD2 PHE 62 -6.878 2.853 -2.510 486 HE1 PHE 62 HE1 PHE 62 -2.562 4.814 -1.154 487 HE2 PHE 62 HE2 PHE 62 -5.939 4.751 -3.752 488 HZ PHE 62 HZ PHE 62 -3.782 5.731 -3.086 489 H GLU 63 H GLU 63 -8.978 1.343 0.657 490 HA GLU 63 HA GLU 63 -9.724 4.089 -0.089 491 HB2 GLU 63 2HB GLU 63 -10.316 2.196 -1.591 492 HB3 GLU 63 1HB GLU 63 -11.323 1.511 -0.316 493 HG2 GLU 63 2HG GLU 63 -12.819 3.441 -0.403 494 HG3 GLU 63 1HG GLU 63 -11.763 4.249 -1.562 495 H ASP 64 H ASP 64 -10.415 1.648 2.397 496 HA ASP 64 HA ASP 64 -12.773 2.975 3.428 497 HB2 ASP 64 2HB ASP 64 -12.466 0.489 3.580 498 HB3 ASP 64 1HB ASP 64 -11.137 0.734 4.710 499 H VAL 65 H VAL 65 -9.437 2.489 4.585 500 HA VAL 65 HA VAL 65 -9.562 4.139 6.888 501 HB VAL 65 HB VAL 65 -7.133 4.099 6.922 502 HG11 VAL 65 1HG1 VAL 65 -6.667 1.672 6.791 503 HG12 VAL 65 2HG1 VAL 65 -8.178 1.427 5.910 504 HG13 VAL 65 3HG1 VAL 65 -8.211 2.004 7.580 505 HG21 VAL 65 1HG2 VAL 65 -5.777 3.160 5.026 506 HG22 VAL 65 2HG2 VAL 65 -6.582 4.671 4.614 507 HG23 VAL 65 3HG2 VAL 65 -7.233 3.139 4.029 508 H GLY 66 H GLY 66 -9.292 4.815 3.520 509 HA2 GLY 66 2HA GLY 66 -8.259 7.504 3.808 510 HA3 GLY 66 1HA GLY 66 -8.612 6.661 2.317 511 H PHE 67 H PHE 67 -9.262 9.306 2.747 512 HA PHE 67 HA PHE 67 -11.937 9.829 3.462 513 HB2 PHE 67 2HB PHE 67 -10.394 11.219 1.234 514 HB3 PHE 67 1HB PHE 67 -11.714 11.874 2.175 515 HD1 PHE 67 HD1 PHE 67 -8.226 11.936 1.767 516 HD2 PHE 67 HD2 PHE 67 -11.219 11.985 4.836 517 HE1 PHE 67 HE1 PHE 67 -6.645 13.027 3.295 518 HE2 PHE 67 HE2 PHE 67 -9.617 13.066 6.362 519 HZ PHE 67 HZ PHE 67 -7.330 13.594 5.591 520 H SER 68 H SER 68 -13.859 9.849 2.190 521 HA SER 68 HA SER 68 -14.302 7.612 0.618 522 HB2 SER 68 2HB SER 68 -16.547 8.625 0.147 523 HB3 SER 68 1HB SER 68 -16.095 8.707 1.847 524 HG SER 68 HG SER 68 -16.706 10.712 0.166 525 H THR 69 H THR 69 -13.656 10.921 -0.460 526 HA THR 69 HA THR 69 -13.997 10.233 -3.295 527 HB THR 69 HB THR 69 -13.475 12.726 -3.607 528 HG1 THR 69 HG1 THR 69 -12.468 13.429 -1.831 529 HG21 THR 69 1HG2 THR 69 -15.808 12.055 -1.776 530 HG22 THR 69 2HG2 THR 69 -15.812 11.920 -3.538 531 HG23 THR 69 3HG2 THR 69 -15.663 13.505 -2.774 532 H ASP 70 H ASP 70 -11.490 11.402 -1.057 533 HA ASP 70 HA ASP 70 -9.483 11.903 -2.988 534 HB2 ASP 70 2HB ASP 70 -9.217 11.452 0.013 535 HB3 ASP 70 1HB ASP 70 -7.919 12.037 -1.021 536 H ALA 71 H ALA 71 -9.891 9.150 -0.727 537 HA ALA 71 HA ALA 71 -7.535 7.770 -1.197 538 HB1 ALA 71 1HB ALA 71 -10.234 6.543 -0.528 539 HB2 ALA 71 2HB ALA 71 -9.101 7.235 0.633 540 HB3 ALA 71 3HB ALA 71 -8.655 5.791 -0.279 541 H ARG 72 H ARG 72 -10.513 7.734 -3.058 542 HA ARG 72 HA ARG 72 -9.948 5.413 -4.627 543 HB2 ARG 72 2HB ARG 72 -11.928 7.678 -5.130 544 HB3 ARG 72 1HB ARG 72 -11.907 6.125 -5.975 545 HG2 ARG 72 2HG ARG 72 -12.291 4.982 -3.773 546 HG3 ARG 72 1HG ARG 72 -12.446 6.570 -3.014 547 HD2 ARG 72 2HD ARG 72 -14.643 5.582 -3.486 548 HD3 ARG 72 1HD ARG 72 -14.398 7.062 -4.415 549 HE ARG 72 HE ARG 72 -13.711 5.423 -6.282 550 HH11 ARG 72 1HH1 ARG 72 -16.233 4.731 -3.931 551 HH12 ARG 72 2HH1 ARG 72 -17.103 3.693 -5.009 552 HH21 ARG 72 1HH2 ARG 72 -14.876 4.066 -7.672 553 HH22 ARG 72 2HH2 ARG 72 -16.334 3.314 -7.123 554 H GLU 73 H GLU 73 -9.598 8.930 -5.217 555 HA GLU 73 HA GLU 73 -8.509 8.534 -7.890 556 HB2 GLU 73 2HB GLU 73 -8.300 10.979 -7.973 557 HB3 GLU 73 1HB GLU 73 -9.914 10.502 -7.459 558 HG2 GLU 73 2HG GLU 73 -9.412 11.073 -5.153 559 HG3 GLU 73 1HG GLU 73 -7.727 11.391 -5.556 560 H LEU 74 H LEU 74 -7.242 8.775 -4.684 561 HA LEU 74 HA LEU 74 -4.692 9.893 -5.343 562 HB2 LEU 74 2HB LEU 74 -6.062 9.036 -2.862 563 HB3 LEU 74 1HB LEU 74 -4.337 8.746 -2.822 564 HG LEU 74 HG LEU 74 -3.849 11.113 -3.158 565 HD11 LEU 74 1HD1 LEU 74 -5.667 11.756 -4.650 566 HD12 LEU 74 2HD1 LEU 74 -5.574 12.848 -3.271 567 HD13 LEU 74 3HD1 LEU 74 -6.833 11.609 -3.332 568 HD21 LEU 74 1HD2 LEU 74 -4.227 10.366 -0.857 569 HD22 LEU 74 2HD2 LEU 74 -5.945 10.760 -0.992 570 HD23 LEU 74 3HD2 LEU 74 -4.732 12.042 -1.066 571 H SER 75 H SER 75 -5.948 6.752 -5.731 572 HA SER 75 HA SER 75 -3.691 5.128 -5.352 573 HB2 SER 75 2HB SER 75 -4.766 3.665 -7.168 574 HB3 SER 75 1HB SER 75 -5.794 4.056 -5.788 575 HG SER 75 HG SER 75 -7.126 4.758 -7.233 576 H LYS 76 H LYS 76 -4.779 6.638 -8.448 577 HA LYS 76 HA LYS 76 -2.368 6.079 -9.842 578 HB2 LYS 76 2HB LYS 76 -3.285 7.621 -11.611 579 HB3 LYS 76 1HB LYS 76 -4.360 6.327 -11.129 580 HG2 LYS 76 2HG LYS 76 -5.778 8.169 -11.361 581 HG3 LYS 76 1HG LYS 76 -5.523 8.047 -9.620 582 HD2 LYS 76 2HD LYS 76 -3.856 9.900 -9.745 583 HD3 LYS 76 1HD LYS 76 -4.116 10.016 -11.488 584 HE2 LYS 76 2HE LYS 76 -6.455 10.662 -11.104 585 HE3 LYS 76 1HE LYS 76 -6.235 10.486 -9.362 586 HZ1 LYS 76 1HZ LYS 76 -4.628 12.267 -9.415 587 HZ2 LYS 76 2HZ LYS 76 -6.100 12.785 -10.061 588 HZ3 LYS 76 3HZ LYS 76 -4.805 12.432 -11.090 589 H LYS 77 H LYS 77 -2.937 8.434 -7.483 590 HA LYS 77 HA LYS 77 -0.929 10.338 -8.367 591 HB2 LYS 77 2HB LYS 77 -2.808 11.167 -7.068 592 HB3 LYS 77 1HB LYS 77 -2.492 10.015 -5.771 593 HG2 LYS 77 2HG LYS 77 -0.391 11.164 -5.226 594 HG3 LYS 77 1HG LYS 77 -0.637 12.286 -6.571 595 HD2 LYS 77 2HD LYS 77 -2.622 13.215 -5.491 596 HD3 LYS 77 1HD LYS 77 -2.524 12.012 -4.197 597 HE2 LYS 77 2HE LYS 77 -1.650 14.210 -3.471 598 HE3 LYS 77 1HE LYS 77 -0.397 12.972 -3.440 599 HZ1 LYS 77 1HZ LYS 77 0.409 13.826 -5.578 600 HZ2 LYS 77 2HZ LYS 77 0.456 15.002 -4.365 601 HZ3 LYS 77 3HZ LYS 77 -0.760 15.045 -5.535 602 H TYR 78 H TYR 78 -1.228 7.732 -5.954 603 HA TYR 78 HA TYR 78 1.585 7.973 -5.168 604 HB2 TYR 78 2HB TYR 78 -0.731 6.327 -4.067 605 HB3 TYR 78 1HB TYR 78 0.920 6.173 -3.472 606 HD1 TYR 78 HD1 TYR 78 -2.150 8.047 -3.181 607 HD2 TYR 78 HD2 TYR 78 2.049 8.273 -2.452 608 HE1 TYR 78 HE1 TYR 78 -2.521 9.911 -1.645 609 HE2 TYR 78 HE2 TYR 78 1.660 10.150 -0.919 610 HH TYR 78 HH TYR 78 -1.470 11.031 0.202 611 H ILE 79 H ILE 79 0.812 6.973 -7.880 612 HA ILE 79 HA ILE 79 1.396 4.176 -7.961 613 HB ILE 79 HB ILE 79 0.183 5.066 -9.829 614 HG12 ILE 79 2HG1 ILE 79 1.543 4.334 -11.791 615 HG13 ILE 79 1HG1 ILE 79 3.005 4.399 -10.810 616 HG21 ILE 79 1HG2 ILE 79 1.029 6.768 -11.389 617 HG22 ILE 79 2HG2 ILE 79 2.484 6.958 -10.408 618 HG23 ILE 79 3HG2 ILE 79 0.909 7.405 -9.746 619 HD11 ILE 79 1HD1 ILE 79 2.153 2.596 -9.409 620 HD12 ILE 79 2HD1 ILE 79 2.203 2.128 -11.110 621 HD13 ILE 79 3HD1 ILE 79 0.664 2.552 -10.360 622 H ILE 80 H ILE 80 3.198 3.526 -7.068 623 HA ILE 80 HA ILE 80 5.745 4.990 -7.432 624 HB ILE 80 HB ILE 80 4.808 4.675 -5.093 625 HG12 ILE 80 2HG1 ILE 80 7.522 3.320 -5.468 626 HG13 ILE 80 1HG1 ILE 80 7.268 5.059 -5.554 627 HG21 ILE 80 1HG2 ILE 80 5.479 1.740 -5.502 628 HG22 ILE 80 2HG2 ILE 80 3.859 2.423 -5.352 629 HG23 ILE 80 3HG2 ILE 80 4.969 2.489 -3.984 630 HD11 ILE 80 1HD1 ILE 80 6.771 3.324 -3.132 631 HD12 ILE 80 2HD1 ILE 80 6.501 5.067 -3.227 632 HD13 ILE 80 3HD1 ILE 80 8.130 4.417 -3.387 633 H GLY 81 H GLY 81 4.069 2.213 -8.395 634 HA2 GLY 81 2HA GLY 81 5.550 1.324 -10.411 635 HA3 GLY 81 1HA GLY 81 6.400 0.581 -9.059 636 H GLU 82 H GLU 82 5.846 -1.505 -9.748 637 HA GLU 82 HA GLU 82 3.087 -2.277 -9.003 638 HB2 GLU 82 2HB GLU 82 3.137 -4.098 -10.659 639 HB3 GLU 82 1HB GLU 82 3.244 -2.516 -11.425 640 HG2 GLU 82 2HG GLU 82 5.582 -2.787 -11.881 641 HG3 GLU 82 1HG GLU 82 5.671 -4.239 -10.874 642 H LEU 83 H LEU 83 2.896 -4.261 -7.953 643 HA LEU 83 HA LEU 83 5.151 -5.169 -6.415 644 HB2 LEU 83 2HB LEU 83 2.588 -5.036 -5.767 645 HB3 LEU 83 1HB LEU 83 2.464 -6.598 -6.546 646 HG LEU 83 HG LEU 83 2.657 -6.688 -4.044 647 HD11 LEU 83 1HD1 LEU 83 4.984 -8.051 -5.375 648 HD12 LEU 83 2HD1 LEU 83 3.323 -8.641 -5.347 649 HD13 LEU 83 3HD1 LEU 83 4.226 -8.488 -3.842 650 HD21 LEU 83 1HD2 LEU 83 5.469 -5.655 -4.460 651 HD22 LEU 83 2HD2 LEU 83 4.767 -6.205 -2.937 652 HD23 LEU 83 3HD2 LEU 83 4.126 -4.769 -3.728 653 H HIS 84 H HIS 84 6.011 -7.281 -6.470 654 HA HIS 84 HA HIS 84 6.662 -8.223 -9.063 655 HB2 HIS 84 2HB HIS 84 8.186 -8.206 -7.012 656 HB3 HIS 84 1HB HIS 84 7.259 -9.563 -6.387 657 HD1 HIS 84 HD1 HIS 84 8.612 -11.637 -6.719 658 HD2 HIS 84 HD2 HIS 84 9.042 -8.980 -9.881 659 HE1 HIS 84 HE1 HIS 84 10.156 -12.768 -8.339 660 HE2 HIS 84 HE2 HIS 84 10.473 -11.104 -10.201 661 HA PRO 85 HA PRO 85 2.957 -10.770 -9.663 662 HB2 PRO 85 2HB PRO 85 4.192 -12.590 -11.490 663 HB3 PRO 85 1HB PRO 85 3.368 -11.073 -11.902 664 HG2 PRO 85 2HG PRO 85 6.289 -11.591 -11.520 665 HG3 PRO 85 1HG PRO 85 5.472 -10.551 -12.708 666 HD2 PRO 85 2HD PRO 85 6.684 -9.464 -10.601 667 HD3 PRO 85 1HD PRO 85 5.113 -8.826 -11.131 668 H ASP 86 H ASP 86 6.003 -12.264 -8.735 669 HA ASP 86 HA ASP 86 5.016 -14.814 -7.924 670 HB2 ASP 86 2HB ASP 86 7.398 -14.407 -8.452 671 HB3 ASP 86 1HB ASP 86 7.529 -13.279 -7.113 672 H ASP 87 H ASP 87 5.688 -11.773 -6.214 673 HA ASP 87 HA ASP 87 5.382 -12.936 -3.579 674 HB2 ASP 87 2HB ASP 87 6.027 -10.160 -4.606 675 HB3 ASP 87 1HB ASP 87 5.758 -10.452 -2.891 676 H ARG 88 H ARG 88 3.354 -11.054 -5.725 677 HA ARG 88 HA ARG 88 1.465 -10.126 -3.835 678 HB2 ARG 88 2HB ARG 88 -0.002 -9.750 -5.785 679 HB3 ARG 88 1HB ARG 88 1.628 -9.175 -6.078 680 HG2 ARG 88 2HG ARG 88 1.249 -10.204 -8.100 681 HG3 ARG 88 1HG ARG 88 1.917 -11.574 -7.223 682 HD2 ARG 88 2HD ARG 88 -0.556 -12.136 -6.635 683 HD3 ARG 88 1HD ARG 88 -0.972 -11.012 -7.931 684 HE ARG 88 HE ARG 88 0.800 -12.718 -9.100 685 HH11 ARG 88 1HH1 ARG 88 -2.211 -13.200 -7.330 686 HH12 ARG 88 2HH1 ARG 88 -2.614 -14.652 -8.177 687 HH21 ARG 88 1HH2 ARG 88 0.238 -14.673 -10.173 688 HH22 ARG 88 2HH2 ARG 88 -1.239 -15.482 -9.774 689 H SER 89 H SER 89 1.911 -13.189 -5.429 690 HA SER 89 HA SER 89 -0.621 -14.356 -4.675 691 HB2 SER 89 2HB SER 89 0.542 -15.068 -6.735 692 HB3 SER 89 1HB SER 89 1.924 -15.618 -5.788 693 HG SER 89 HG SER 89 -0.475 -16.692 -4.977 694 H LYS 90 H LYS 90 2.603 -14.115 -3.318 695 HA LYS 90 HA LYS 90 2.466 -16.308 -1.493 696 HB2 LYS 90 2HB LYS 90 4.244 -13.843 -1.613 697 HB3 LYS 90 1HB LYS 90 4.448 -15.102 -0.402 698 HG2 LYS 90 2HG LYS 90 5.098 -16.716 -2.042 699 HG3 LYS 90 1HG LYS 90 4.591 -15.672 -3.375 700 HD2 LYS 90 2HD LYS 90 7.067 -15.718 -3.095 701 HD3 LYS 90 1HD LYS 90 6.395 -14.102 -2.910 702 HE2 LYS 90 2HE LYS 90 6.501 -14.440 -0.398 703 HE3 LYS 90 1HE LYS 90 7.374 -15.944 -0.706 704 HZ1 LYS 90 1HZ LYS 90 9.089 -14.660 -1.827 705 HZ2 LYS 90 2HZ LYS 90 8.869 -14.109 -0.241 706 HZ3 LYS 90 3HZ LYS 90 8.240 -13.228 -1.541 707 H ILE 91 H ILE 91 2.489 -12.769 -0.799 708 HA ILE 91 HA ILE 91 1.502 -13.409 1.928 709 HB ILE 91 HB ILE 91 3.067 -10.910 1.136 710 HG12 ILE 91 2HG1 ILE 91 4.222 -13.552 2.157 711 HG13 ILE 91 1HG1 ILE 91 4.399 -12.932 0.520 712 HG21 ILE 91 1HG2 ILE 91 1.922 -10.794 3.321 713 HG22 ILE 91 2HG2 ILE 91 3.669 -10.830 3.542 714 HG23 ILE 91 3HG2 ILE 91 2.714 -12.288 3.832 715 HD11 ILE 91 1HD1 ILE 91 6.404 -12.590 1.809 716 HD12 ILE 91 2HD1 ILE 91 5.515 -11.664 3.017 717 HD13 ILE 91 3HD1 ILE 91 5.680 -11.045 1.367 718 H ALA 92 H ALA 92 -0.128 -12.734 -0.596 719 HA ALA 92 HA ALA 92 -1.607 -10.362 -0.018 720 HB1 ALA 92 1HB ALA 92 -2.471 -12.912 -1.430 721 HB2 ALA 92 2HB ALA 92 -1.810 -11.463 -2.190 722 HB3 ALA 92 3HB ALA 92 -3.390 -11.405 -1.412 723 H LYS 93 H LYS 93 -2.110 -13.783 0.722 724 HA LYS 93 HA LYS 93 -3.133 -13.218 3.379 725 HB2 LYS 93 2HB LYS 93 -5.129 -14.761 3.027 726 HB3 LYS 93 1HB LYS 93 -5.256 -13.194 2.245 727 HG2 LYS 93 2HG LYS 93 -4.967 -14.100 0.070 728 HG3 LYS 93 1HG LYS 93 -4.292 -15.608 0.687 729 HD2 LYS 93 2HD LYS 93 -7.192 -14.720 0.956 730 HD3 LYS 93 1HD LYS 93 -6.574 -15.923 -0.183 731 HE2 LYS 93 2HE LYS 93 -6.538 -16.159 2.854 732 HE3 LYS 93 1HE LYS 93 -7.617 -17.013 1.753 733 HZ1 LYS 93 1HZ LYS 93 -4.661 -17.309 1.853 734 HZ2 LYS 93 2HZ LYS 93 -5.695 -18.128 0.794 735 HZ3 LYS 93 3HZ LYS 93 -5.795 -18.407 2.458 736 HA PRO 94 HA PRO 94 -0.224 -16.818 2.724 737 HB2 PRO 94 2HB PRO 94 1.520 -16.273 4.791 738 HB3 PRO 94 1HB PRO 94 1.638 -15.493 3.200 739 HG2 PRO 94 2HG PRO 94 0.502 -14.402 5.752 740 HG3 PRO 94 1HG PRO 94 1.464 -13.580 4.503 741 HD2 PRO 94 2HD PRO 94 -1.290 -13.360 4.707 742 HD3 PRO 94 1HD PRO 94 -0.391 -13.126 3.193 743 H SER 95 H SER 95 -0.802 -15.758 6.087 744 HA SER 95 HA SER 95 -2.747 -17.567 6.840 745 HB2 SER 95 2HB SER 95 -0.992 -19.325 6.599 746 HB3 SER 95 1HB SER 95 0.051 -18.454 7.724 747 HG SER 95 HG SER 95 -2.269 -19.937 8.203 748 H GLU 96 H GLU 96 -3.084 -17.499 9.204 749 HA GLU 96 HA GLU 96 -2.084 -15.018 10.450 750 HB2 GLU 96 2HB GLU 96 -4.444 -16.789 11.215 751 HB3 GLU 96 1HB GLU 96 -4.034 -15.239 11.955 752 HG2 GLU 96 2HG GLU 96 -4.544 -14.052 9.896 753 HG3 GLU 96 1HG GLU 96 -4.769 -15.567 9.020 754 H THR 97 H THR 97 -1.323 -18.262 10.398 755 HA THR 97 HA THR 97 -0.176 -18.247 13.098 756 HB THR 97 HB THR 97 -2.227 -19.281 13.649 757 HG1 THR 97 HG1 THR 97 -0.864 -20.615 14.602 758 HG21 THR 97 1HG2 THR 97 -3.137 -19.694 11.401 759 HG22 THR 97 2HG2 THR 97 -3.280 -21.138 12.403 760 HG23 THR 97 3HG2 THR 97 -2.015 -21.040 11.177 761 H LEU 98 H LEU 98 -0.554 -20.376 10.175 762 HA LEU 98 HA LEU 98 2.128 -21.495 10.643 763 HB2 LEU 98 2HB LEU 98 -0.180 -22.300 8.846 764 HB3 LEU 98 1HB LEU 98 1.428 -22.879 8.488 765 HG LEU 98 HG LEU 98 0.220 -24.599 9.685 766 HD11 LEU 98 1HD1 LEU 98 2.313 -23.391 11.517 767 HD12 LEU 98 2HD1 LEU 98 2.618 -24.450 10.136 768 HD13 LEU 98 3HD1 LEU 98 1.739 -25.063 11.533 769 HD21 LEU 98 1HD2 LEU 98 -0.637 -24.336 11.970 770 HD22 LEU 98 2HD2 LEU 98 -1.437 -23.228 10.859 771 HD23 LEU 98 3HD2 LEU 98 -0.190 -22.626 11.953 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 16.195 -5.893 -6.845 2 H2 ALA 1 2H ALA 1 16.525 -7.511 -6.491 3 H3 ALA 1 3H ALA 1 15.070 -6.814 -5.991 4 HA ALA 1 HA ALA 1 15.907 -7.240 -8.786 5 HB1 ALA 1 1HB ALA 1 14.190 -9.002 -8.860 6 HB2 ALA 1 2HB ALA 1 13.817 -8.732 -7.156 7 HB3 ALA 1 3HB ALA 1 15.398 -9.358 -7.626 8 H GLU 2 H GLU 2 15.400 -5.201 -9.451 9 HA GLU 2 HA GLU 2 12.595 -4.636 -9.922 10 HB2 GLU 2 2HB GLU 2 12.626 -2.338 -9.127 11 HB3 GLU 2 1HB GLU 2 13.058 -3.381 -7.779 12 HG2 GLU 2 2HG GLU 2 15.343 -2.722 -7.855 13 HG3 GLU 2 1HG GLU 2 15.183 -1.984 -9.446 14 H GLN 3 H GLN 3 12.544 -2.473 -11.303 15 HA GLN 3 HA GLN 3 14.667 -2.668 -13.344 16 HB2 GLN 3 2HB GLN 3 11.870 -1.483 -13.438 17 HB3 GLN 3 1HB GLN 3 13.032 -1.338 -14.752 18 HG2 GLN 3 2HG GLN 3 12.084 -4.005 -13.670 19 HG3 GLN 3 1HG GLN 3 11.288 -3.159 -14.994 20 HE21 GLN 3 1HE2 GLN 3 11.709 -4.910 -16.377 21 HE22 GLN 3 2HE2 GLN 3 13.277 -5.217 -17.032 22 H SER 4 H SER 4 16.319 -1.345 -12.797 23 HA SER 4 HA SER 4 15.880 1.443 -12.021 24 HB2 SER 4 2HB SER 4 18.402 1.535 -12.068 25 HB3 SER 4 1HB SER 4 17.763 0.292 -10.995 26 HG SER 4 HG SER 4 19.436 0.005 -13.046 27 H ASP 5 H ASP 5 16.512 -0.455 -14.863 28 HA ASP 5 HA ASP 5 17.263 1.659 -16.659 29 HB2 ASP 5 2HB ASP 5 17.875 -0.725 -17.037 30 HB3 ASP 5 1HB ASP 5 16.176 -1.133 -17.238 31 H LYS 6 H LYS 6 14.243 -0.128 -15.987 32 HA LYS 6 HA LYS 6 12.636 1.771 -17.545 33 HB2 LYS 6 2HB LYS 6 12.062 -0.879 -16.217 34 HB3 LYS 6 1HB LYS 6 10.719 0.231 -16.434 35 HG2 LYS 6 2HG LYS 6 10.832 -1.402 -18.249 36 HG3 LYS 6 1HG LYS 6 11.065 0.240 -18.852 37 HD2 LYS 6 2HD LYS 6 13.533 -0.167 -18.881 38 HD3 LYS 6 1HD LYS 6 13.238 -1.833 -18.376 39 HE2 LYS 6 2HE LYS 6 11.995 -2.259 -20.457 40 HE3 LYS 6 1HE LYS 6 12.215 -0.575 -20.950 41 HZ1 LYS 6 1HZ LYS 6 13.830 -2.045 -22.004 42 HZ2 LYS 6 2HZ LYS 6 14.405 -2.532 -20.493 43 HZ3 LYS 6 3HZ LYS 6 14.603 -0.930 -20.989 44 H ASP 7 H ASP 7 10.589 2.505 -16.430 45 HA ASP 7 HA ASP 7 11.327 4.236 -14.245 46 HB2 ASP 7 2HB ASP 7 9.951 5.059 -16.085 47 HB3 ASP 7 1HB ASP 7 8.743 3.813 -15.810 48 H VAL 8 H VAL 8 9.178 1.439 -14.676 49 HA VAL 8 HA VAL 8 7.868 1.621 -12.152 50 HB VAL 8 HB VAL 8 7.010 -0.693 -12.652 51 HG11 VAL 8 1HG1 VAL 8 5.786 1.295 -13.413 52 HG12 VAL 8 2HG1 VAL 8 5.618 -0.023 -14.572 53 HG13 VAL 8 3HG1 VAL 8 6.715 1.319 -14.916 54 HG21 VAL 8 1HG2 VAL 8 8.678 -0.449 -15.199 55 HG22 VAL 8 2HG2 VAL 8 7.479 -1.706 -14.875 56 HG23 VAL 8 3HG2 VAL 8 8.937 -1.604 -13.890 57 H LYS 9 H LYS 9 8.412 0.891 -10.226 58 HA LYS 9 HA LYS 9 10.934 -0.580 -9.825 59 HB2 LYS 9 2HB LYS 9 9.173 0.927 -7.841 60 HB3 LYS 9 1HB LYS 9 10.746 0.205 -7.496 61 HG2 LYS 9 2HG LYS 9 11.862 1.790 -8.970 62 HG3 LYS 9 1HG LYS 9 10.313 2.448 -9.500 63 HD2 LYS 9 2HD LYS 9 11.452 3.913 -7.849 64 HD3 LYS 9 1HD LYS 9 9.882 3.352 -7.271 65 HE2 LYS 9 2HE LYS 9 11.597 3.288 -5.497 66 HE3 LYS 9 1HE LYS 9 10.975 1.680 -5.851 67 HZ1 LYS 9 1HZ LYS 9 13.556 2.803 -6.792 68 HZ2 LYS 9 2HZ LYS 9 12.954 1.284 -7.213 69 HZ3 LYS 9 3HZ LYS 9 13.354 1.617 -5.605 70 H TYR 10 H TYR 10 10.740 -2.740 -9.550 71 HA TYR 10 HA TYR 10 8.292 -4.018 -8.738 72 HB2 TYR 10 2HB TYR 10 11.078 -5.075 -9.307 73 HB3 TYR 10 1HB TYR 10 9.822 -6.112 -8.649 74 HD1 TYR 10 HD1 TYR 10 8.485 -7.312 -10.134 75 HD2 TYR 10 HD2 TYR 10 10.392 -3.750 -11.545 76 HE1 TYR 10 HE1 TYR 10 7.656 -7.764 -12.391 77 HE2 TYR 10 HE2 TYR 10 9.558 -4.221 -13.818 78 HH TYR 10 HH TYR 10 7.149 -6.487 -14.456 79 H TYR 11 H TYR 11 7.741 -3.410 -6.710 80 HA TYR 11 HA TYR 11 9.512 -3.952 -4.432 81 HB2 TYR 11 2HB TYR 11 6.632 -3.009 -4.707 82 HB3 TYR 11 1HB TYR 11 7.250 -3.560 -3.152 83 HD1 TYR 11 HD1 TYR 11 7.903 -1.051 -5.871 84 HD2 TYR 11 HD2 TYR 11 8.473 -2.087 -1.760 85 HE1 TYR 11 HE1 TYR 11 8.935 1.137 -5.452 86 HE2 TYR 11 HE2 TYR 11 9.485 0.105 -1.349 87 HH TYR 11 HH TYR 11 10.621 1.853 -2.573 88 H THR 12 H THR 12 9.357 -5.764 -3.146 89 HA THR 12 HA THR 12 7.590 -7.960 -4.070 90 HB THR 12 HB THR 12 9.042 -9.469 -2.724 91 HG1 THR 12 HG1 THR 12 10.318 -8.616 -1.285 92 HG21 THR 12 1HG2 THR 12 9.614 -9.164 -5.095 93 HG22 THR 12 2HG2 THR 12 11.083 -9.362 -4.139 94 HG23 THR 12 3HG2 THR 12 10.603 -7.758 -4.696 95 H LEU 13 H LEU 13 6.107 -8.804 -2.653 96 HA LEU 13 HA LEU 13 5.095 -7.089 -0.629 97 HB2 LEU 13 2HB LEU 13 3.893 -8.817 -2.236 98 HB3 LEU 13 1HB LEU 13 4.189 -9.968 -0.944 99 HG LEU 13 HG LEU 13 2.778 -8.704 0.597 100 HD11 LEU 13 1HD1 LEU 13 3.392 -6.417 -0.061 101 HD12 LEU 13 2HD1 LEU 13 1.643 -6.609 -0.060 102 HD13 LEU 13 3HD1 LEU 13 2.526 -6.599 -1.589 103 HD21 LEU 13 1HD2 LEU 13 0.604 -8.839 -0.546 104 HD22 LEU 13 2HD2 LEU 13 1.612 -10.220 -0.971 105 HD23 LEU 13 3HD2 LEU 13 1.410 -8.892 -2.117 106 H GLU 14 H GLU 14 7.192 -9.800 -0.661 107 HA GLU 14 HA GLU 14 7.523 -10.454 2.024 108 HB2 GLU 14 2HB GLU 14 8.503 -11.623 0.054 109 HB3 GLU 14 1HB GLU 14 9.600 -10.269 -0.201 110 HG2 GLU 14 2HG GLU 14 10.665 -10.727 1.971 111 HG3 GLU 14 1HG GLU 14 9.556 -12.075 2.232 112 H GLU 15 H GLU 15 9.061 -7.842 0.113 113 HA GLU 15 HA GLU 15 10.729 -6.854 2.211 114 HB2 GLU 15 2HB GLU 15 10.829 -6.562 -0.427 115 HB3 GLU 15 1HB GLU 15 9.848 -5.140 -0.136 116 HG2 GLU 15 2HG GLU 15 12.579 -5.675 1.066 117 HG3 GLU 15 1HG GLU 15 12.279 -4.675 -0.347 118 H ILE 16 H ILE 16 7.541 -6.006 0.957 119 HA ILE 16 HA ILE 16 7.158 -3.641 2.523 120 HB ILE 16 HB ILE 16 5.015 -5.317 1.119 121 HG12 ILE 16 2HG1 ILE 16 6.660 -2.990 -0.004 122 HG13 ILE 16 1HG1 ILE 16 6.799 -4.674 -0.493 123 HG21 ILE 16 1HG2 ILE 16 4.106 -3.663 2.715 124 HG22 ILE 16 2HG2 ILE 16 3.716 -3.212 1.058 125 HG23 ILE 16 3HG2 ILE 16 5.012 -2.375 1.918 126 HD11 ILE 16 1HD1 ILE 16 4.402 -2.894 -0.900 127 HD12 ILE 16 2HD1 ILE 16 4.497 -4.599 -1.350 128 HD13 ILE 16 3HD1 ILE 16 5.558 -3.422 -2.121 129 H GLN 17 H GLN 17 6.683 -7.058 3.125 130 HA GLN 17 HA GLN 17 4.883 -7.046 5.267 131 HB2 GLN 17 2HB GLN 17 5.787 -9.117 4.224 132 HB3 GLN 17 1HB GLN 17 7.356 -8.802 4.952 133 HG2 GLN 17 2HG GLN 17 6.221 -10.500 6.239 134 HG3 GLN 17 1HG GLN 17 6.325 -9.036 7.210 135 HE21 GLN 17 1HE2 GLN 17 4.596 -9.704 8.534 136 HE22 GLN 17 2HE2 GLN 17 2.962 -9.706 7.988 137 H LYS 18 H LYS 18 8.293 -6.170 5.140 138 HA LYS 18 HA LYS 18 8.556 -5.410 7.903 139 HB2 LYS 18 2HB LYS 18 10.052 -4.299 5.483 140 HB3 LYS 18 1HB LYS 18 10.546 -4.168 7.167 141 HG2 LYS 18 2HG LYS 18 10.901 -6.625 7.240 142 HG3 LYS 18 1HG LYS 18 10.411 -6.732 5.545 143 HD2 LYS 18 2HD LYS 18 12.860 -6.752 5.706 144 HD3 LYS 18 1HD LYS 18 12.326 -5.274 4.903 145 HE2 LYS 18 2HE LYS 18 12.590 -4.043 7.048 146 HE3 LYS 18 1HE LYS 18 13.172 -5.522 7.812 147 HZ1 LYS 18 1HZ LYS 18 14.999 -4.112 7.169 148 HZ2 LYS 18 2HZ LYS 18 14.483 -4.090 5.555 149 HZ3 LYS 18 3HZ LYS 18 15.031 -5.533 6.256 150 H HIS 19 H HIS 19 6.637 -4.256 8.352 151 HA HIS 19 HA HIS 19 6.585 -1.475 7.380 152 HB2 HIS 19 2HB HIS 19 4.060 -1.563 7.243 153 HB3 HIS 19 1HB HIS 19 4.882 -2.514 6.011 154 HD1 HIS 19 HD1 HIS 19 4.279 -4.946 5.867 155 HD2 HIS 19 HD2 HIS 19 2.836 -3.192 9.333 156 HE1 HIS 19 HE1 HIS 19 2.768 -6.656 6.901 157 HE2 HIS 19 HE2 HIS 19 1.681 -5.422 8.788 158 H LYS 20 H LYS 20 7.654 -2.626 9.729 159 HA LYS 20 HA LYS 20 6.135 -1.943 12.022 160 HB2 LYS 20 2HB LYS 20 8.201 -3.199 12.263 161 HB3 LYS 20 1HB LYS 20 9.139 -1.935 11.487 162 HG2 LYS 20 2HG LYS 20 9.536 -1.996 13.904 163 HG3 LYS 20 1HG LYS 20 8.820 -0.465 13.410 164 HD2 LYS 20 2HD LYS 20 7.758 -1.079 15.466 165 HD3 LYS 20 1HD LYS 20 6.572 -1.370 14.200 166 HE2 LYS 20 2HE LYS 20 8.300 -3.536 15.451 167 HE3 LYS 20 1HE LYS 20 6.662 -3.155 15.968 168 HZ1 LYS 20 1HZ LYS 20 5.979 -3.666 13.618 169 HZ2 LYS 20 2HZ LYS 20 6.505 -4.981 14.536 170 HZ3 LYS 20 3HZ LYS 20 7.531 -4.302 13.379 171 H ASP 21 H ASP 21 8.138 -0.127 9.791 172 HA ASP 21 HA ASP 21 7.691 2.401 11.208 173 HB2 ASP 21 2HB ASP 21 9.520 1.751 8.860 174 HB3 ASP 21 1HB ASP 21 9.426 3.296 9.707 175 H SER 22 H SER 22 6.708 4.079 10.275 176 HA SER 22 HA SER 22 4.639 3.734 8.389 177 HB2 SER 22 2HB SER 22 5.869 6.380 9.239 178 HB3 SER 22 1HB SER 22 4.189 6.046 8.802 179 HG SER 22 HG SER 22 4.597 6.197 11.090 180 H LYS 23 H LYS 23 7.961 4.649 8.125 181 HA LYS 23 HA LYS 23 7.820 5.875 5.516 182 HB2 LYS 23 2HB LYS 23 10.278 6.025 5.676 183 HB3 LYS 23 1HB LYS 23 9.498 6.641 7.119 184 HG2 LYS 23 2HG LYS 23 11.184 5.454 8.130 185 HG3 LYS 23 1HG LYS 23 9.985 4.171 8.025 186 HD2 LYS 23 2HD LYS 23 12.148 3.292 7.341 187 HD3 LYS 23 1HD LYS 23 11.086 3.348 5.935 188 HE2 LYS 23 2HE LYS 23 13.320 4.099 5.318 189 HE3 LYS 23 1HE LYS 23 12.194 5.451 5.211 190 HZ1 LYS 23 1HZ LYS 23 14.254 6.123 6.248 191 HZ2 LYS 23 2HZ LYS 23 14.098 4.928 7.434 192 HZ3 LYS 23 3HZ LYS 23 12.999 6.217 7.377 193 H SER 24 H SER 24 7.893 2.698 6.671 194 HA SER 24 HA SER 24 8.776 1.567 4.078 195 HB2 SER 24 2HB SER 24 10.182 1.019 6.098 196 HB3 SER 24 1HB SER 24 8.779 0.258 6.841 197 HG SER 24 HG SER 24 8.751 -1.170 4.998 198 H THR 25 H THR 25 6.097 2.620 4.767 199 HA THR 25 HA THR 25 4.430 0.178 4.955 200 HB THR 25 HB THR 25 3.709 3.108 5.459 201 HG1 THR 25 HG1 THR 25 5.010 1.458 6.990 202 HG21 THR 25 1HG2 THR 25 2.055 0.611 5.975 203 HG22 THR 25 2HG2 THR 25 1.753 1.779 4.688 204 HG23 THR 25 3HG2 THR 25 1.601 2.268 6.375 205 H TRP 26 H TRP 26 3.844 -0.552 2.980 206 HA TRP 26 HA TRP 26 2.761 1.334 0.971 207 HB2 TRP 26 2HB TRP 26 4.611 -1.018 0.321 208 HB3 TRP 26 1HB TRP 26 3.844 0.042 -0.860 209 HD1 TRP 26 HD TRP 26 4.664 2.757 -0.614 210 HE1 TRP 26 HE1 TRP 26 7.011 3.675 -0.174 211 HE3 TRP 26 HE3 TRP 26 6.797 -1.450 1.352 212 HZ2 TRP 26 HZ2 TRP 26 9.467 2.741 0.860 213 HZ3 TRP 26 HZ3 TRP 26 9.156 -1.356 2.046 214 HH2 TRP 26 HH TRP 26 10.464 0.698 1.806 215 H VAL 27 H VAL 27 1.206 0.261 -0.478 216 HA VAL 27 HA VAL 27 0.049 -2.253 0.579 217 HB VAL 27 HB VAL 27 -2.251 -1.280 0.129 218 HG11 VAL 27 1HG1 VAL 27 -1.482 -1.527 2.427 219 HG12 VAL 27 2HG1 VAL 27 -2.433 -0.053 2.262 220 HG13 VAL 27 3HG1 VAL 27 -0.673 0.042 2.361 221 HG21 VAL 27 1HG2 VAL 27 -1.586 0.588 -1.326 222 HG22 VAL 27 2HG2 VAL 27 -0.748 1.368 0.017 223 HG23 VAL 27 3HG2 VAL 27 -2.503 1.182 0.058 224 H ILE 28 H ILE 28 -1.284 -3.394 -0.937 225 HA ILE 28 HA ILE 28 -0.797 -2.747 -3.782 226 HB ILE 28 HB ILE 28 -0.323 -5.065 -4.315 227 HG12 ILE 28 2HG1 ILE 28 0.156 -6.553 -2.017 228 HG13 ILE 28 1HG1 ILE 28 -1.266 -5.653 -1.529 229 HG21 ILE 28 1HG2 ILE 28 1.839 -5.344 -3.103 230 HG22 ILE 28 2HG2 ILE 28 1.358 -4.067 -1.991 231 HG23 ILE 28 3HG2 ILE 28 1.577 -3.709 -3.705 232 HD11 ILE 28 1HD1 ILE 28 -1.059 -7.445 -3.948 233 HD12 ILE 28 2HD1 ILE 28 -2.511 -6.592 -3.417 234 HD13 ILE 28 3HD1 ILE 28 -1.809 -7.859 -2.408 235 H LEU 29 H LEU 29 -2.517 -2.941 -5.091 236 HA LEU 29 HA LEU 29 -5.144 -3.410 -4.071 237 HB2 LEU 29 2HB LEU 29 -3.974 -2.977 -6.830 238 HB3 LEU 29 1HB LEU 29 -5.625 -3.543 -6.694 239 HG LEU 29 HG LEU 29 -5.363 -1.040 -7.024 240 HD11 LEU 29 1HD1 LEU 29 -7.121 -0.389 -5.447 241 HD12 LEU 29 2HD1 LEU 29 -6.836 -1.851 -4.498 242 HD13 LEU 29 3HD1 LEU 29 -7.457 -1.973 -6.145 243 HD21 LEU 29 1HD2 LEU 29 -4.393 -1.027 -4.148 244 HD22 LEU 29 2HD2 LEU 29 -4.753 0.386 -5.141 245 HD23 LEU 29 3HD2 LEU 29 -3.408 -0.667 -5.564 246 H HIS 30 H HIS 30 -3.020 -5.301 -6.265 247 HA HIS 30 HA HIS 30 -3.704 -7.824 -5.235 248 HB2 HIS 30 2HB HIS 30 -5.039 -8.789 -7.097 249 HB3 HIS 30 1HB HIS 30 -5.886 -7.494 -6.265 250 HD1 HIS 30 HD1 HIS 30 -4.586 -8.469 -9.603 251 HD2 HIS 30 HD2 HIS 30 -6.238 -5.116 -7.788 252 HE1 HIS 30 HE1 HIS 30 -5.240 -6.937 -11.483 253 HE2 HIS 30 HE2 HIS 30 -6.178 -4.895 -10.366 254 H HIS 31 H HIS 31 -2.272 -5.909 -7.780 255 HA HIS 31 HA HIS 31 -0.271 -8.024 -8.282 256 HB2 HIS 31 2HB HIS 31 -2.083 -8.057 -10.070 257 HB3 HIS 31 1HB HIS 31 -1.600 -6.433 -10.530 258 HD1 HIS 31 HD1 HIS 31 -1.538 -8.788 -12.515 259 HD2 HIS 31 HD2 HIS 31 1.783 -7.561 -10.350 260 HE1 HIS 31 HE1 HIS 31 0.455 -9.523 -13.852 261 HE2 HIS 31 HE2 HIS 31 2.425 -8.583 -12.629 262 H LYS 32 H LYS 32 -1.159 -4.623 -8.278 263 HA LYS 32 HA LYS 32 1.617 -3.759 -8.836 264 HB2 LYS 32 2HB LYS 32 -0.168 -3.041 -10.437 265 HB3 LYS 32 1HB LYS 32 -1.014 -2.237 -9.122 266 HG2 LYS 32 2HG LYS 32 0.776 -0.621 -8.873 267 HG3 LYS 32 1HG LYS 32 1.786 -1.489 -10.033 268 HD2 LYS 32 2HD LYS 32 -0.860 -0.116 -10.674 269 HD3 LYS 32 1HD LYS 32 0.743 0.515 -11.044 270 HE2 LYS 32 2HE LYS 32 1.163 -1.401 -12.532 271 HE3 LYS 32 1HE LYS 32 -0.436 -2.050 -12.161 272 HZ1 LYS 32 1HZ LYS 32 -1.408 -0.047 -13.140 273 HZ2 LYS 32 2HZ LYS 32 -0.439 -0.867 -14.256 274 HZ3 LYS 32 3HZ LYS 32 0.135 0.532 -13.507 275 H VAL 33 H VAL 33 2.497 -2.007 -7.527 276 HA VAL 33 HA VAL 33 1.336 -1.895 -4.803 277 HB VAL 33 HB VAL 33 3.631 -2.921 -4.925 278 HG11 VAL 33 1HG1 VAL 33 5.612 -1.556 -5.389 279 HG12 VAL 33 2HG1 VAL 33 4.590 -0.185 -5.825 280 HG13 VAL 33 3HG1 VAL 33 4.566 -1.647 -6.806 281 HG21 VAL 33 1HG2 VAL 33 3.515 -0.278 -3.419 282 HG22 VAL 33 2HG2 VAL 33 4.642 -1.598 -3.092 283 HG23 VAL 33 3HG2 VAL 33 2.913 -1.837 -2.849 284 H TYR 34 H TYR 34 0.915 0.028 -3.896 285 HA TYR 34 HA TYR 34 1.729 2.528 -5.230 286 HB2 TYR 34 2HB TYR 34 -0.971 1.964 -3.923 287 HB3 TYR 34 1HB TYR 34 -0.433 3.542 -4.497 288 HD1 TYR 34 HD1 TYR 34 -1.744 0.283 -5.470 289 HD2 TYR 34 HD2 TYR 34 -0.175 3.963 -6.958 290 HE1 TYR 34 HE1 TYR 34 -2.646 -0.228 -7.699 291 HE2 TYR 34 HE2 TYR 34 -1.077 3.459 -9.182 292 HH TYR 34 HH TYR 34 -3.347 1.012 -9.715 293 H ASP 35 H ASP 35 2.028 4.262 -3.832 294 HA ASP 35 HA ASP 35 3.420 3.514 -1.464 295 HB2 ASP 35 2HB ASP 35 4.212 5.306 -2.988 296 HB3 ASP 35 1HB ASP 35 2.811 6.285 -2.569 297 H LEU 36 H LEU 36 2.682 3.450 0.562 298 HA LEU 36 HA LEU 36 0.104 4.745 1.270 299 HB2 LEU 36 2HB LEU 36 0.554 2.155 1.462 300 HB3 LEU 36 1HB LEU 36 1.480 2.571 2.886 301 HG LEU 36 HG LEU 36 -0.812 1.766 3.404 302 HD11 LEU 36 1HD1 LEU 36 -0.505 4.655 4.230 303 HD12 LEU 36 2HD1 LEU 36 0.292 3.282 4.993 304 HD13 LEU 36 3HD1 LEU 36 -1.461 3.404 5.030 305 HD21 LEU 36 1HD2 LEU 36 -2.795 3.122 2.918 306 HD22 LEU 36 2HD2 LEU 36 -2.000 2.599 1.438 307 HD23 LEU 36 3HD2 LEU 36 -1.807 4.259 1.997 308 H THR 37 H THR 37 3.521 4.681 1.839 309 HA THR 37 HA THR 37 3.937 5.588 4.396 310 HB THR 37 HB THR 37 5.472 6.164 1.833 311 HG1 THR 37 HG1 THR 37 5.386 3.987 2.620 312 HG21 THR 37 1HG2 THR 37 6.421 6.731 4.669 313 HG22 THR 37 2HG2 THR 37 6.094 7.946 3.429 314 HG23 THR 37 3HG2 THR 37 7.423 6.803 3.221 315 H LYS 38 H LYS 38 3.245 7.555 1.531 316 HA LYS 38 HA LYS 38 3.264 10.075 2.967 317 HB2 LYS 38 2HB LYS 38 4.044 9.911 0.626 318 HB3 LYS 38 1HB LYS 38 2.462 9.348 0.119 319 HG2 LYS 38 2HG LYS 38 2.596 11.593 -0.582 320 HG3 LYS 38 1HG LYS 38 1.543 11.609 0.825 321 HD2 LYS 38 2HD LYS 38 4.501 12.270 1.074 322 HD3 LYS 38 1HD LYS 38 3.336 13.494 0.574 323 HE2 LYS 38 2HE LYS 38 3.284 11.954 3.185 324 HE3 LYS 38 1HE LYS 38 3.783 13.622 2.990 325 HZ1 LYS 38 1HZ LYS 38 1.065 12.521 2.564 326 HZ2 LYS 38 2HZ LYS 38 1.513 14.111 2.207 327 HZ3 LYS 38 3HZ LYS 38 1.571 13.562 3.797 328 H PHE 39 H PHE 39 0.903 7.770 1.742 329 HA PHE 39 HA PHE 39 -1.410 9.354 1.756 330 HB2 PHE 39 2HB PHE 39 -1.176 7.175 0.572 331 HB3 PHE 39 1HB PHE 39 -1.204 6.339 2.122 332 HD1 PHE 39 HD1 PHE 39 -3.269 5.366 2.688 333 HD2 PHE 39 HD2 PHE 39 -3.276 8.899 0.284 334 HE1 PHE 39 HE1 PHE 39 -5.715 5.246 2.519 335 HE2 PHE 39 HE2 PHE 39 -5.724 8.769 0.127 336 HZ PHE 39 HZ PHE 39 -6.942 6.951 1.236 337 H LEU 40 H LEU 40 0.101 7.496 4.353 338 HA LEU 40 HA LEU 40 -2.104 7.756 6.173 339 HB2 LEU 40 2HB LEU 40 -0.645 6.776 7.847 340 HB3 LEU 40 1HB LEU 40 -0.597 5.884 6.349 341 HG LEU 40 HG LEU 40 1.659 7.289 5.953 342 HD11 LEU 40 1HD1 LEU 40 1.505 7.231 8.979 343 HD12 LEU 40 2HD1 LEU 40 1.488 8.671 7.960 344 HD13 LEU 40 3HD1 LEU 40 2.924 7.656 8.017 345 HD21 LEU 40 1HD2 LEU 40 1.537 4.871 7.793 346 HD22 LEU 40 2HD2 LEU 40 2.961 5.429 6.908 347 HD23 LEU 40 3HD2 LEU 40 1.555 4.838 6.026 348 H GLU 41 H GLU 41 0.677 9.735 5.397 349 HA GLU 41 HA GLU 41 0.625 11.483 7.659 350 HB2 GLU 41 2HB GLU 41 1.658 11.930 4.827 351 HB3 GLU 41 1HB GLU 41 1.969 13.012 6.176 352 HG2 GLU 41 2HG GLU 41 2.856 10.113 6.079 353 HG3 GLU 41 1HG GLU 41 3.865 11.476 5.602 354 H GLU 42 H GLU 42 -1.286 11.248 4.750 355 HA GLU 42 HA GLU 42 -2.458 13.826 4.713 356 HB2 GLU 42 2HB GLU 42 -2.984 11.188 3.420 357 HB3 GLU 42 1HB GLU 42 -4.404 12.201 3.592 358 HG2 GLU 42 2HG GLU 42 -3.292 12.434 1.391 359 HG3 GLU 42 1HG GLU 42 -3.419 13.952 2.267 360 H PHE 43 H PHE 43 -3.056 11.026 6.697 361 HA PHE 43 HA PHE 43 -5.492 12.213 7.867 362 HB2 PHE 43 2HB PHE 43 -4.255 9.526 8.601 363 HB3 PHE 43 1HB PHE 43 -5.902 10.079 8.901 364 HD1 PHE 43 HD1 PHE 43 -4.124 7.863 6.973 365 HD2 PHE 43 HD2 PHE 43 -7.064 10.940 6.539 366 HE1 PHE 43 HE1 PHE 43 -4.800 6.931 4.807 367 HE2 PHE 43 HE2 PHE 43 -7.742 9.981 4.382 368 HZ PHE 43 HZ PHE 43 -6.605 7.985 3.525 369 HA PRO 44 HA PRO 44 -2.996 13.731 11.329 370 HB2 PRO 44 2HB PRO 44 -5.030 14.280 13.097 371 HB3 PRO 44 1HB PRO 44 -4.670 15.305 11.695 372 HG2 PRO 44 2HG PRO 44 -6.790 13.203 11.992 373 HG3 PRO 44 1HG PRO 44 -6.906 14.828 11.277 374 HD2 PRO 44 2HD PRO 44 -6.639 12.596 9.750 375 HD3 PRO 44 1HD PRO 44 -5.950 14.162 9.269 376 H GLY 45 H GLY 45 -1.926 11.771 11.764 377 HA2 GLY 45 2HA GLY 45 -1.216 10.063 13.132 378 HA3 GLY 45 1HA GLY 45 -2.558 10.404 14.215 379 H GLY 46 H GLY 46 -2.944 9.662 10.785 380 HA2 GLY 46 2HA GLY 46 -4.697 7.408 11.332 381 HA3 GLY 46 1HA GLY 46 -4.290 8.075 9.758 382 H GLU 47 H GLU 47 -1.411 7.714 11.068 383 HA GLU 47 HA GLU 47 -0.192 5.729 9.752 384 HB2 GLU 47 2HB GLU 47 0.908 7.336 11.222 385 HB3 GLU 47 1HB GLU 47 0.158 6.614 12.638 386 HG2 GLU 47 2HG GLU 47 1.470 4.519 12.141 387 HG3 GLU 47 1HG GLU 47 2.332 5.432 10.903 388 H GLU 48 H GLU 48 -2.054 5.333 12.705 389 HA GLU 48 HA GLU 48 -1.358 2.652 13.306 390 HB2 GLU 48 2HB GLU 48 -3.327 2.799 14.902 391 HB3 GLU 48 1HB GLU 48 -2.128 4.073 15.077 392 HG2 GLU 48 2HG GLU 48 -3.589 5.621 13.798 393 HG3 GLU 48 1HG GLU 48 -4.787 4.339 13.640 394 H VAL 49 H VAL 49 -4.102 3.984 11.439 395 HA VAL 49 HA VAL 49 -5.735 1.644 11.851 396 HB VAL 49 HB VAL 49 -6.629 3.988 11.786 397 HG11 VAL 49 1HG1 VAL 49 -7.109 5.084 9.637 398 HG12 VAL 49 2HG1 VAL 49 -6.205 3.824 8.791 399 HG13 VAL 49 3HG1 VAL 49 -5.377 4.898 9.916 400 HG21 VAL 49 1HG2 VAL 49 -8.741 3.441 10.637 401 HG22 VAL 49 2HG2 VAL 49 -8.157 2.071 11.582 402 HG23 VAL 49 3HG2 VAL 49 -7.961 2.079 9.828 403 H LEU 50 H LEU 50 -3.431 2.462 9.445 404 HA LEU 50 HA LEU 50 -4.625 0.626 7.433 405 HB2 LEU 50 2HB LEU 50 -3.151 2.178 5.811 406 HB3 LEU 50 1HB LEU 50 -4.795 2.573 6.265 407 HG LEU 50 HG LEU 50 -3.967 4.149 7.989 408 HD11 LEU 50 1HD1 LEU 50 -1.624 4.840 8.074 409 HD12 LEU 50 2HD1 LEU 50 -1.191 3.548 6.955 410 HD13 LEU 50 3HD1 LEU 50 -1.828 3.157 8.552 411 HD21 LEU 50 1HD2 LEU 50 -4.528 5.012 5.790 412 HD22 LEU 50 2HD2 LEU 50 -2.897 4.689 5.206 413 HD23 LEU 50 3HD2 LEU 50 -3.165 5.907 6.456 414 H ARG 51 H ARG 51 -1.757 1.434 9.228 415 HA ARG 51 HA ARG 51 0.216 0.354 7.514 416 HB2 ARG 51 2HB ARG 51 0.753 1.972 9.274 417 HB3 ARG 51 1HB ARG 51 0.282 0.827 10.522 418 HG2 ARG 51 2HG ARG 51 2.190 -0.594 10.022 419 HG3 ARG 51 1HG ARG 51 2.603 0.386 8.611 420 HD2 ARG 51 2HD ARG 51 4.067 0.869 10.563 421 HD3 ARG 51 1HD ARG 51 3.158 2.287 10.034 422 HE ARG 51 HE ARG 51 1.758 0.939 12.108 423 HH11 ARG 51 1HH1 ARG 51 4.574 3.014 11.632 424 HH12 ARG 51 2HH1 ARG 51 4.493 3.682 13.234 425 HH21 ARG 51 1HH2 ARG 51 1.607 1.915 14.144 426 HH22 ARG 51 2HH2 ARG 51 2.816 3.061 14.652 427 H GLU 52 H GLU 52 -1.915 -1.137 9.802 428 HA GLU 52 HA GLU 52 -0.639 -3.644 10.144 429 HB2 GLU 52 2HB GLU 52 -2.448 -2.902 11.593 430 HB3 GLU 52 1HB GLU 52 -3.577 -2.840 10.245 431 HG2 GLU 52 2HG GLU 52 -3.531 -5.263 10.038 432 HG3 GLU 52 1HG GLU 52 -2.278 -5.383 11.274 433 H GLN 53 H GLN 53 -3.109 -2.524 7.828 434 HA GLN 53 HA GLN 53 -3.186 -5.022 6.350 435 HB2 GLN 53 2HB GLN 53 -4.508 -2.324 5.856 436 HB3 GLN 53 1HB GLN 53 -4.728 -3.716 4.805 437 HG2 GLN 53 2HG GLN 53 -6.643 -3.574 6.227 438 HG3 GLN 53 1HG GLN 53 -5.701 -4.969 6.739 439 HE21 GLN 53 1HE2 GLN 53 -6.724 -4.961 8.747 440 HE22 GLN 53 2HE2 GLN 53 -6.345 -3.810 9.974 441 H ALA 54 H ALA 54 -1.017 -2.452 6.357 442 HA ALA 54 HA ALA 54 -0.232 -2.347 3.634 443 HB1 ALA 54 1HB ALA 54 1.911 -1.492 4.469 444 HB2 ALA 54 2HB ALA 54 1.485 -1.982 6.113 445 HB3 ALA 54 3HB ALA 54 0.561 -0.719 5.303 446 H GLY 55 H GLY 55 1.380 -3.549 2.526 447 HA2 GLY 55 2HA GLY 55 2.468 -5.478 1.891 448 HA3 GLY 55 1HA GLY 55 2.639 -5.891 3.593 449 H GLY 56 H GLY 56 -0.535 -5.236 2.292 450 HA2 GLY 56 2HA GLY 56 -1.224 -8.078 1.987 451 HA3 GLY 56 1HA GLY 56 -2.014 -7.182 3.278 452 H ASP 57 H ASP 57 -3.259 -5.199 2.633 453 HA ASP 57 HA ASP 57 -4.597 -5.648 0.017 454 HB2 ASP 57 2HB ASP 57 -5.952 -6.614 1.830 455 HB3 ASP 57 1HB ASP 57 -5.923 -5.085 2.703 456 H ALA 58 H ALA 58 -5.700 -3.909 -0.913 457 HA ALA 58 HA ALA 58 -5.590 -1.231 0.211 458 HB1 ALA 58 1HB ALA 58 -4.524 -0.197 -1.710 459 HB2 ALA 58 2HB ALA 58 -4.354 -1.762 -2.512 460 HB3 ALA 58 3HB ALA 58 -3.447 -1.422 -1.041 461 H THR 59 H THR 59 -7.076 -3.654 -1.753 462 HA THR 59 HA THR 59 -8.630 -2.055 -3.509 463 HB THR 59 HB THR 59 -10.225 -4.013 -3.632 464 HG1 THR 59 HG1 THR 59 -8.410 -5.472 -2.034 465 HG21 THR 59 1HG2 THR 59 -7.300 -4.748 -3.946 466 HG22 THR 59 2HG2 THR 59 -8.304 -3.953 -5.158 467 HG23 THR 59 3HG2 THR 59 -8.662 -5.609 -4.668 468 H GLU 60 H GLU 60 -9.320 -3.448 -0.312 469 HA GLU 60 HA GLU 60 -11.743 -1.811 -0.010 470 HB2 GLU 60 2HB GLU 60 -10.457 -3.808 1.917 471 HB3 GLU 60 1HB GLU 60 -12.019 -3.018 2.139 472 HG2 GLU 60 2HG GLU 60 -12.878 -4.164 0.114 473 HG3 GLU 60 1HG GLU 60 -11.318 -4.964 -0.082 474 H ASN 61 H ASN 61 -8.507 -2.231 1.395 475 HA ASN 61 HA ASN 61 -8.876 -0.698 3.704 476 HB2 ASN 61 2HB ASN 61 -7.103 -2.405 3.485 477 HB3 ASN 61 1HB ASN 61 -6.253 -1.389 2.319 478 HD21 ASN 61 1HD2 ASN 61 -4.478 -0.682 3.349 479 HD22 ASN 61 2HD2 ASN 61 -4.430 0.030 4.918 480 H PHE 62 H PHE 62 -7.185 0.208 0.672 481 HA PHE 62 HA PHE 62 -6.170 2.690 1.511 482 HB2 PHE 62 2HB PHE 62 -5.578 1.334 -0.592 483 HB3 PHE 62 1HB PHE 62 -6.994 2.034 -1.351 484 HD1 PHE 62 HD1 PHE 62 -7.054 4.579 -1.714 485 HD2 PHE 62 HD2 PHE 62 -3.505 2.534 -0.502 486 HE1 PHE 62 HE1 PHE 62 -5.689 6.489 -2.438 487 HE2 PHE 62 HE2 PHE 62 -2.147 4.451 -1.229 488 HZ PHE 62 HZ PHE 62 -3.242 6.436 -2.195 489 H GLU 63 H GLU 63 -9.348 1.791 0.318 490 HA GLU 63 HA GLU 63 -10.293 4.572 0.155 491 HB2 GLU 63 2HB GLU 63 -10.880 2.849 -1.615 492 HB3 GLU 63 1HB GLU 63 -11.829 1.995 -0.403 493 HG2 GLU 63 2HG GLU 63 -13.262 4.012 -0.142 494 HG3 GLU 63 1HG GLU 63 -12.336 4.820 -1.408 495 H ASP 64 H ASP 64 -10.388 1.822 2.297 496 HA ASP 64 HA ASP 64 -12.773 2.387 3.778 497 HB2 ASP 64 2HB ASP 64 -11.781 0.130 3.733 498 HB3 ASP 64 1HB ASP 64 -10.308 0.721 4.482 499 H VAL 65 H VAL 65 -9.352 2.632 4.634 500 HA VAL 65 HA VAL 65 -9.732 4.374 6.884 501 HB VAL 65 HB VAL 65 -7.302 4.381 7.047 502 HG11 VAL 65 1HG1 VAL 65 -8.278 1.618 6.228 503 HG12 VAL 65 2HG1 VAL 65 -8.437 2.347 7.828 504 HG13 VAL 65 3HG1 VAL 65 -6.838 1.961 7.195 505 HG21 VAL 65 1HG2 VAL 65 -7.264 3.154 4.263 506 HG22 VAL 65 2HG2 VAL 65 -5.856 3.304 5.308 507 HG23 VAL 65 3HG2 VAL 65 -6.671 4.749 4.723 508 H GLY 66 H GLY 66 -9.338 4.751 3.490 509 HA2 GLY 66 2HA GLY 66 -8.156 7.339 3.402 510 HA3 GLY 66 1HA GLY 66 -8.874 6.464 2.073 511 H PHE 67 H PHE 67 -9.139 9.213 2.368 512 HA PHE 67 HA PHE 67 -11.560 10.087 3.507 513 HB2 PHE 67 2HB PHE 67 -10.256 11.152 0.971 514 HB3 PHE 67 1HB PHE 67 -11.390 12.017 1.993 515 HD1 PHE 67 HD1 PHE 67 -7.934 11.456 1.270 516 HD2 PHE 67 HD2 PHE 67 -10.607 12.495 4.451 517 HE1 PHE 67 HE1 PHE 67 -6.075 12.493 2.506 518 HE2 PHE 67 HE2 PHE 67 -8.742 13.529 5.672 519 HZ PHE 67 HZ PHE 67 -6.478 13.531 4.704 520 H SER 68 H SER 68 -13.546 10.687 2.318 521 HA SER 68 HA SER 68 -14.815 8.465 1.274 522 HB2 SER 68 2HB SER 68 -15.661 11.371 0.978 523 HB3 SER 68 1HB SER 68 -16.719 9.965 0.816 524 HG SER 68 HG SER 68 -16.429 9.508 2.966 525 H THR 69 H THR 69 -14.097 11.436 -0.609 526 HA THR 69 HA THR 69 -14.439 9.975 -3.129 527 HB THR 69 HB THR 69 -14.022 12.952 -2.595 528 HG1 THR 69 HG1 THR 69 -16.263 11.282 -2.652 529 HG21 THR 69 1HG2 THR 69 -14.848 11.536 -5.170 530 HG22 THR 69 2HG2 THR 69 -13.335 12.400 -4.902 531 HG23 THR 69 3HG2 THR 69 -14.852 13.290 -4.914 532 H ASP 70 H ASP 70 -11.901 11.578 -1.244 533 HA ASP 70 HA ASP 70 -10.072 12.032 -3.337 534 HB2 ASP 70 2HB ASP 70 -9.465 11.727 -0.375 535 HB3 ASP 70 1HB ASP 70 -8.384 12.439 -1.566 536 H ALA 71 H ALA 71 -10.177 9.372 -0.915 537 HA ALA 71 HA ALA 71 -7.790 8.078 -1.580 538 HB1 ALA 71 1HB ALA 71 -9.097 7.564 0.422 539 HB2 ALA 71 2HB ALA 71 -8.729 6.094 -0.485 540 HB3 ALA 71 3HB ALA 71 -10.342 6.810 -0.572 541 H ARG 72 H ARG 72 -10.894 7.936 -3.133 542 HA ARG 72 HA ARG 72 -10.610 5.623 -4.739 543 HB2 ARG 72 2HB ARG 72 -12.272 8.137 -5.222 544 HB3 ARG 72 1HB ARG 72 -12.511 6.585 -6.021 545 HG2 ARG 72 2HG ARG 72 -13.156 5.542 -3.918 546 HG3 ARG 72 1HG ARG 72 -12.779 7.012 -3.024 547 HD2 ARG 72 2HD ARG 72 -15.211 6.734 -3.349 548 HD3 ARG 72 1HD ARG 72 -14.614 8.191 -4.140 549 HE ARG 72 HE ARG 72 -15.188 7.324 -6.169 550 HH11 ARG 72 1HH1 ARG 72 -15.365 4.683 -3.830 551 HH12 ARG 72 2HH1 ARG 72 -16.140 3.604 -4.944 552 HH21 ARG 72 1HH2 ARG 72 -16.191 5.901 -7.585 553 HH22 ARG 72 2HH2 ARG 72 -16.606 4.297 -7.070 554 H GLU 73 H GLU 73 -9.877 9.066 -5.359 555 HA GLU 73 HA GLU 73 -8.715 8.456 -7.997 556 HB2 GLU 73 2HB GLU 73 -8.538 10.907 -8.284 557 HB3 GLU 73 1HB GLU 73 -10.176 10.410 -7.883 558 HG2 GLU 73 2HG GLU 73 -9.898 11.179 -5.584 559 HG3 GLU 73 1HG GLU 73 -8.206 11.564 -5.885 560 H LEU 74 H LEU 74 -7.635 8.660 -4.792 561 HA LEU 74 HA LEU 74 -4.896 9.463 -5.409 562 HB2 LEU 74 2HB LEU 74 -6.155 8.472 -2.823 563 HB3 LEU 74 1HB LEU 74 -4.459 8.899 -2.980 564 HG LEU 74 HG LEU 74 -6.820 10.799 -3.255 565 HD11 LEU 74 1HD1 LEU 74 -6.363 10.178 -0.932 566 HD12 LEU 74 2HD1 LEU 74 -5.957 11.866 -1.221 567 HD13 LEU 74 3HD1 LEU 74 -4.672 10.659 -1.116 568 HD21 LEU 74 1HD2 LEU 74 -5.086 11.460 -4.827 569 HD22 LEU 74 2HD2 LEU 74 -3.873 11.414 -3.548 570 HD23 LEU 74 3HD2 LEU 74 -5.173 12.607 -3.489 571 H SER 75 H SER 75 -6.747 6.537 -5.208 572 HA SER 75 HA SER 75 -4.754 4.648 -4.624 573 HB2 SER 75 2HB SER 75 -7.190 4.160 -4.579 574 HB3 SER 75 1HB SER 75 -7.242 4.239 -6.339 575 HG SER 75 HG SER 75 -5.286 2.561 -5.525 576 H LYS 76 H LYS 76 -5.482 6.304 -7.603 577 HA LYS 76 HA LYS 76 -3.616 4.705 -9.209 578 HB2 LYS 76 2HB LYS 76 -4.365 6.161 -11.092 579 HB3 LYS 76 1HB LYS 76 -5.709 5.365 -10.279 580 HG2 LYS 76 2HG LYS 76 -6.170 7.481 -9.031 581 HG3 LYS 76 1HG LYS 76 -4.874 8.264 -9.941 582 HD2 LYS 76 2HD LYS 76 -6.105 7.832 -12.057 583 HD3 LYS 76 1HD LYS 76 -7.403 7.059 -11.141 584 HE2 LYS 76 2HE LYS 76 -8.026 9.347 -11.725 585 HE3 LYS 76 1HE LYS 76 -7.843 9.206 -9.978 586 HZ1 LYS 76 1HZ LYS 76 -6.850 11.230 -10.880 587 HZ2 LYS 76 2HZ LYS 76 -5.789 10.305 -11.819 588 HZ3 LYS 76 3HZ LYS 76 -5.696 10.245 -10.133 589 H LYS 77 H LYS 77 -3.616 7.629 -7.328 590 HA LYS 77 HA LYS 77 -1.783 9.183 -8.912 591 HB2 LYS 77 2HB LYS 77 -3.633 10.090 -7.397 592 HB3 LYS 77 1HB LYS 77 -2.623 9.696 -6.019 593 HG2 LYS 77 2HG LYS 77 -1.595 11.527 -8.198 594 HG3 LYS 77 1HG LYS 77 -2.672 12.146 -6.949 595 HD2 LYS 77 2HD LYS 77 -1.077 11.739 -5.216 596 HD3 LYS 77 1HD LYS 77 -0.094 10.699 -6.251 597 HE2 LYS 77 2HE LYS 77 0.977 12.883 -5.938 598 HE3 LYS 77 1HE LYS 77 0.534 12.644 -7.626 599 HZ1 LYS 77 1HZ LYS 77 -1.433 14.017 -7.239 600 HZ2 LYS 77 2HZ LYS 77 -0.003 14.858 -6.921 601 HZ3 LYS 77 3HZ LYS 77 -0.938 14.279 -5.642 602 H TYR 78 H TYR 78 -1.449 7.029 -6.126 603 HA TYR 78 HA TYR 78 1.271 7.927 -5.499 604 HB2 TYR 78 2HB TYR 78 -0.636 5.931 -4.212 605 HB3 TYR 78 1HB TYR 78 1.018 6.156 -3.656 606 HD1 TYR 78 HD1 TYR 78 -1.949 8.368 -4.470 607 HD2 TYR 78 HD2 TYR 78 1.230 7.503 -1.745 608 HE1 TYR 78 HE1 TYR 78 -2.749 10.134 -2.971 609 HE2 TYR 78 HE2 TYR 78 0.416 9.270 -0.254 610 HH TYR 78 HH TYR 78 -0.965 11.129 -0.157 611 H ILE 79 H ILE 79 1.131 6.845 -8.046 612 HA ILE 79 HA ILE 79 1.707 4.053 -8.111 613 HB ILE 79 HB ILE 79 0.624 4.977 -10.028 614 HG12 ILE 79 2HG1 ILE 79 2.100 4.268 -11.900 615 HG13 ILE 79 1HG1 ILE 79 3.499 4.327 -10.834 616 HG21 ILE 79 1HG2 ILE 79 1.314 7.314 -9.866 617 HG22 ILE 79 2HG2 ILE 79 1.548 6.707 -11.506 618 HG23 ILE 79 3HG2 ILE 79 2.936 6.899 -10.431 619 HD11 ILE 79 1HD1 ILE 79 2.745 2.049 -11.178 620 HD12 ILE 79 2HD1 ILE 79 1.143 2.457 -10.567 621 HD13 ILE 79 3HD1 ILE 79 2.541 2.509 -9.487 622 H ILE 80 H ILE 80 3.389 3.647 -6.776 623 HA ILE 80 HA ILE 80 5.968 5.008 -7.011 624 HB ILE 80 HB ILE 80 4.924 4.495 -4.779 625 HG12 ILE 80 2HG1 ILE 80 7.619 3.094 -5.125 626 HG13 ILE 80 1HG1 ILE 80 7.416 4.839 -5.027 627 HG21 ILE 80 1HG2 ILE 80 3.937 2.297 -5.299 628 HG22 ILE 80 2HG2 ILE 80 4.948 2.219 -3.859 629 HG23 ILE 80 3HG2 ILE 80 5.550 1.584 -5.392 630 HD11 ILE 80 1HD1 ILE 80 6.738 2.856 -2.857 631 HD12 ILE 80 2HD1 ILE 80 6.527 4.607 -2.756 632 HD13 ILE 80 3HD1 ILE 80 8.142 3.919 -2.914 633 H GLY 81 H GLY 81 4.412 2.146 -8.122 634 HA2 GLY 81 2HA GLY 81 6.130 1.362 -10.063 635 HA3 GLY 81 1HA GLY 81 6.775 0.560 -8.628 636 H GLU 82 H GLU 82 6.264 -1.493 -9.411 637 HA GLU 82 HA GLU 82 3.424 -2.242 -9.073 638 HB2 GLU 82 2HB GLU 82 3.752 -3.991 -10.842 639 HB3 GLU 82 1HB GLU 82 3.836 -2.340 -11.449 640 HG2 GLU 82 2HG GLU 82 6.316 -2.466 -11.468 641 HG3 GLU 82 1HG GLU 82 6.227 -4.132 -10.885 642 H LEU 83 H LEU 83 3.076 -4.131 -7.946 643 HA LEU 83 HA LEU 83 5.188 -5.127 -6.289 644 HB2 LEU 83 2HB LEU 83 2.635 -4.877 -5.767 645 HB3 LEU 83 1HB LEU 83 2.436 -6.375 -6.645 646 HG LEU 83 HG LEU 83 2.471 -6.600 -4.136 647 HD11 LEU 83 1HD1 LEU 83 3.820 -8.589 -3.982 648 HD12 LEU 83 2HD1 LEU 83 4.671 -8.182 -5.473 649 HD13 LEU 83 3HD1 LEU 83 2.950 -8.567 -5.513 650 HD21 LEU 83 1HD2 LEU 83 5.399 -5.906 -4.381 651 HD22 LEU 83 2HD2 LEU 83 4.568 -6.440 -2.919 652 HD23 LEU 83 3HD2 LEU 83 4.147 -4.897 -3.656 653 H HIS 84 H HIS 84 6.068 -7.194 -6.365 654 HA HIS 84 HA HIS 84 6.818 -8.204 -8.855 655 HB2 HIS 84 2HB HIS 84 8.081 -8.341 -6.626 656 HB3 HIS 84 1HB HIS 84 7.011 -9.664 -6.174 657 HD1 HIS 84 HD1 HIS 84 8.112 -11.855 -6.554 658 HD2 HIS 84 HD2 HIS 84 9.375 -8.992 -9.294 659 HE1 HIS 84 HE1 HIS 84 9.792 -13.009 -7.998 660 HE2 HIS 84 HE2 HIS 84 10.584 -11.265 -9.620 661 HA PRO 85 HA PRO 85 2.946 -10.298 -9.933 662 HB2 PRO 85 2HB PRO 85 4.464 -12.135 -11.647 663 HB3 PRO 85 1HB PRO 85 3.392 -10.806 -12.112 664 HG2 PRO 85 2HG PRO 85 6.323 -10.852 -11.940 665 HG3 PRO 85 1HG PRO 85 5.258 -9.712 -12.789 666 HD2 PRO 85 2HD PRO 85 6.666 -9.035 -10.560 667 HD3 PRO 85 1HD PRO 85 5.113 -8.299 -10.971 668 H ASP 86 H ASP 86 5.815 -12.199 -9.044 669 HA ASP 86 HA ASP 86 4.504 -14.586 -8.288 670 HB2 ASP 86 2HB ASP 86 6.904 -14.516 -8.709 671 HB3 ASP 86 1HB ASP 86 7.156 -13.369 -7.398 672 H ASP 87 H ASP 87 5.525 -11.753 -6.359 673 HA ASP 87 HA ASP 87 5.077 -13.023 -3.834 674 HB2 ASP 87 2HB ASP 87 5.867 -10.235 -4.671 675 HB3 ASP 87 1HB ASP 87 5.371 -10.507 -3.011 676 H ARG 88 H ARG 88 2.988 -11.116 -5.867 677 HA ARG 88 HA ARG 88 1.173 -10.217 -3.868 678 HB2 ARG 88 2HB ARG 88 -0.355 -9.761 -5.793 679 HB3 ARG 88 1HB ARG 88 1.258 -9.111 -6.006 680 HG2 ARG 88 2HG ARG 88 0.904 -9.976 -8.117 681 HG3 ARG 88 1HG ARG 88 1.671 -11.356 -7.345 682 HD2 ARG 88 2HD ARG 88 -0.645 -12.264 -6.863 683 HD3 ARG 88 1HD ARG 88 -1.294 -10.965 -7.861 684 HE ARG 88 HE ARG 88 0.587 -12.289 -9.422 685 HH11 ARG 88 1HH1 ARG 88 -2.403 -13.169 -7.775 686 HH12 ARG 88 2HH1 ARG 88 -2.815 -14.403 -8.921 687 HH21 ARG 88 1HH2 ARG 88 -0.023 -13.891 -10.955 688 HH22 ARG 88 2HH2 ARG 88 -1.478 -14.808 -10.712 689 H SER 89 H SER 89 1.457 -13.237 -5.594 690 HA SER 89 HA SER 89 -1.035 -14.340 -4.465 691 HB2 SER 89 2HB SER 89 -0.536 -14.746 -6.864 692 HB3 SER 89 1HB SER 89 0.977 -15.542 -6.427 693 HG SER 89 HG SER 89 -1.600 -16.389 -5.584 694 H LYS 90 H LYS 90 2.457 -14.821 -4.461 695 HA LYS 90 HA LYS 90 2.853 -17.009 -2.826 696 HB2 LYS 90 2HB LYS 90 4.664 -15.948 -4.049 697 HB3 LYS 90 1HB LYS 90 4.436 -14.439 -3.189 698 HG2 LYS 90 2HG LYS 90 5.219 -15.664 -1.083 699 HG3 LYS 90 1HG LYS 90 5.698 -16.994 -2.144 700 HD2 LYS 90 2HD LYS 90 7.235 -15.532 -3.359 701 HD3 LYS 90 1HD LYS 90 6.659 -14.123 -2.467 702 HE2 LYS 90 2HE LYS 90 7.570 -15.137 -0.371 703 HE3 LYS 90 1HE LYS 90 8.238 -16.457 -1.340 704 HZ1 LYS 90 1HZ LYS 90 9.847 -14.670 -0.854 705 HZ2 LYS 90 2HZ LYS 90 8.893 -13.582 -1.735 706 HZ3 LYS 90 3HZ LYS 90 9.611 -14.900 -2.517 707 H ILE 91 H ILE 91 2.245 -13.643 -1.917 708 HA ILE 91 HA ILE 91 1.905 -14.357 0.934 709 HB ILE 91 HB ILE 91 3.285 -11.806 -0.094 710 HG12 ILE 91 2HG1 ILE 91 4.547 -14.293 1.156 711 HG13 ILE 91 1HG1 ILE 91 4.707 -13.786 -0.518 712 HG21 ILE 91 1HG2 ILE 91 3.921 -11.415 2.267 713 HG22 ILE 91 2HG2 ILE 91 3.052 -12.872 2.751 714 HG23 ILE 91 3HG2 ILE 91 2.166 -11.496 2.097 715 HD11 ILE 91 1HD1 ILE 91 6.711 -13.289 0.676 716 HD12 ILE 91 2HD1 ILE 91 5.824 -12.394 1.906 717 HD13 ILE 91 3HD1 ILE 91 5.919 -11.771 0.255 718 H ALA 92 H ALA 92 -0.203 -14.341 -0.840 719 HA ALA 92 HA ALA 92 -1.664 -11.966 -1.168 720 HB1 ALA 92 1HB ALA 92 -2.332 -14.110 -2.185 721 HB2 ALA 92 2HB ALA 92 -3.672 -13.401 -1.282 722 HB3 ALA 92 3HB ALA 92 -2.757 -14.750 -0.596 723 H LYS 93 H LYS 93 -1.596 -14.249 1.544 724 HA LYS 93 HA LYS 93 -1.505 -12.219 3.485 725 HB2 LYS 93 2HB LYS 93 -3.583 -12.835 4.786 726 HB3 LYS 93 1HB LYS 93 -3.879 -11.960 3.292 727 HG2 LYS 93 2HG LYS 93 -4.513 -14.083 2.178 728 HG3 LYS 93 1HG LYS 93 -4.259 -14.946 3.700 729 HD2 LYS 93 2HD LYS 93 -6.034 -13.565 4.768 730 HD3 LYS 93 1HD LYS 93 -6.285 -12.718 3.238 731 HE2 LYS 93 2HE LYS 93 -6.900 -14.931 2.200 732 HE3 LYS 93 1HE LYS 93 -6.810 -15.652 3.808 733 HZ1 LYS 93 1HZ LYS 93 -8.630 -13.460 2.973 734 HZ2 LYS 93 2HZ LYS 93 -8.548 -14.106 4.532 735 HZ3 LYS 93 3HZ LYS 93 -9.069 -15.069 3.242 736 HA PRO 94 HA PRO 94 0.683 -16.023 4.621 737 HB2 PRO 94 2HB PRO 94 2.543 -14.917 6.289 738 HB3 PRO 94 1HB PRO 94 2.624 -14.745 4.525 739 HG2 PRO 94 2HG PRO 94 1.660 -12.780 6.566 740 HG3 PRO 94 1HG PRO 94 2.642 -12.504 5.110 741 HD2 PRO 94 2HD PRO 94 -0.074 -12.028 5.239 742 HD3 PRO 94 1HD PRO 94 0.796 -12.389 3.732 743 H SER 95 H SER 95 0.050 -13.711 7.288 744 HA SER 95 HA SER 95 -1.432 -15.643 8.836 745 HB2 SER 95 2HB SER 95 0.089 -15.456 10.835 746 HB3 SER 95 1HB SER 95 0.856 -16.283 9.484 747 HG SER 95 HG SER 95 2.071 -14.542 10.655 748 H GLU 96 H GLU 96 -2.811 -14.602 10.240 749 HA GLU 96 HA GLU 96 -3.229 -11.785 9.856 750 HB2 GLU 96 2HB GLU 96 -5.177 -12.054 11.359 751 HB3 GLU 96 1HB GLU 96 -5.157 -13.268 10.085 752 HG2 GLU 96 2HG GLU 96 -4.424 -14.980 11.622 753 HG3 GLU 96 1HG GLU 96 -4.162 -13.793 12.897 754 H THR 97 H THR 97 -1.493 -13.655 12.189 755 HA THR 97 HA THR 97 -1.399 -11.874 14.375 756 HB THR 97 HB THR 97 -0.590 -14.232 14.504 757 HG1 THR 97 HG1 THR 97 1.498 -13.571 15.621 758 HG21 THR 97 1HG2 THR 97 0.665 -14.367 12.361 759 HG22 THR 97 2HG2 THR 97 1.679 -14.831 13.727 760 HG23 THR 97 3HG2 THR 97 1.863 -13.237 12.991 761 H LEU 98 H LEU 98 0.242 -11.905 11.288 762 HA LEU 98 HA LEU 98 1.110 -10.262 10.046 763 HB2 LEU 98 2HB LEU 98 -0.445 -8.740 11.384 764 HB3 LEU 98 1HB LEU 98 0.919 -8.381 12.426 765 HG LEU 98 HG LEU 98 2.140 -7.479 10.402 766 HD11 LEU 98 1HD1 LEU 98 -0.551 -7.835 9.039 767 HD12 LEU 98 2HD1 LEU 98 0.954 -8.670 8.642 768 HD13 LEU 98 3HD1 LEU 98 0.818 -6.934 8.383 769 HD21 LEU 98 1HD2 LEU 98 -0.484 -6.098 11.076 770 HD22 LEU 98 2HD2 LEU 98 0.941 -5.339 10.358 771 HD23 LEU 98 3HD2 LEU 98 1.017 -5.976 11.999 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 19.572 -2.432 -11.381 2 H2 ALA 1 2H ALA 1 18.143 -3.150 -10.842 3 H3 ALA 1 3H ALA 1 18.601 -1.631 -10.257 4 HA ALA 1 HA ALA 1 16.832 -1.421 -11.855 5 HB1 ALA 1 1HB ALA 1 19.491 -0.379 -12.880 6 HB2 ALA 1 2HB ALA 1 18.480 0.390 -11.654 7 HB3 ALA 1 3HB ALA 1 17.899 0.249 -13.312 8 H GLU 2 H GLU 2 16.490 -3.682 -12.410 9 HA GLU 2 HA GLU 2 17.902 -4.841 -14.690 10 HB2 GLU 2 2HB GLU 2 15.842 -5.951 -12.736 11 HB3 GLU 2 1HB GLU 2 16.397 -6.867 -14.130 12 HG2 GLU 2 2HG GLU 2 17.534 -7.526 -12.025 13 HG3 GLU 2 1HG GLU 2 18.656 -6.952 -13.259 14 H GLN 3 H GLN 3 14.842 -3.338 -13.965 15 HA GLN 3 HA GLN 3 13.516 -4.106 -16.411 16 HB2 GLN 3 2HB GLN 3 12.246 -3.507 -14.341 17 HB3 GLN 3 1HB GLN 3 12.865 -1.865 -14.427 18 HG2 GLN 3 2HG GLN 3 10.552 -2.014 -15.247 19 HG3 GLN 3 1HG GLN 3 11.656 -1.480 -16.512 20 HE21 GLN 3 1HE2 GLN 3 11.168 -4.845 -15.439 21 HE22 GLN 3 2HE2 GLN 3 10.498 -5.383 -16.936 22 H SER 4 H SER 4 13.363 -2.913 -18.295 23 HA SER 4 HA SER 4 15.390 -1.113 -19.080 24 HB2 SER 4 2HB SER 4 13.905 -0.827 -21.132 25 HB3 SER 4 1HB SER 4 14.252 -2.503 -20.711 26 HG SER 4 HG SER 4 11.887 -1.416 -21.015 27 H ASP 5 H ASP 5 12.037 -0.580 -18.029 28 HA ASP 5 HA ASP 5 12.398 2.332 -17.931 29 HB2 ASP 5 2HB ASP 5 10.000 0.586 -17.202 30 HB3 ASP 5 1HB ASP 5 10.004 2.346 -17.201 31 H LYS 6 H LYS 6 13.768 2.843 -16.221 32 HA LYS 6 HA LYS 6 13.931 1.410 -13.768 33 HB2 LYS 6 2HB LYS 6 15.804 2.734 -14.709 34 HB3 LYS 6 1HB LYS 6 14.905 4.221 -14.427 35 HG2 LYS 6 2HG LYS 6 14.944 3.640 -11.947 36 HG3 LYS 6 1HG LYS 6 16.060 2.331 -12.351 37 HD2 LYS 6 2HD LYS 6 17.730 3.903 -13.142 38 HD3 LYS 6 1HD LYS 6 16.592 5.250 -13.037 39 HE2 LYS 6 2HE LYS 6 17.645 3.654 -10.678 40 HE3 LYS 6 1HE LYS 6 18.200 5.257 -11.162 41 HZ1 LYS 6 1HZ LYS 6 16.600 5.367 -9.350 42 HZ2 LYS 6 2HZ LYS 6 15.441 4.581 -10.290 43 HZ3 LYS 6 3HZ LYS 6 15.976 6.118 -10.731 44 H ASP 7 H ASP 7 11.912 4.004 -14.846 45 HA ASP 7 HA ASP 7 10.840 5.165 -12.569 46 HB2 ASP 7 2HB ASP 7 9.257 4.249 -15.020 47 HB3 ASP 7 1HB ASP 7 8.779 5.514 -13.893 48 H VAL 8 H VAL 8 10.151 2.067 -14.026 49 HA VAL 8 HA VAL 8 7.915 1.376 -12.321 50 HB VAL 8 HB VAL 8 9.422 -0.262 -14.415 51 HG11 VAL 8 1HG1 VAL 8 8.140 -1.691 -12.884 52 HG12 VAL 8 2HG1 VAL 8 7.413 -1.682 -14.492 53 HG13 VAL 8 3HG1 VAL 8 6.684 -0.738 -13.190 54 HG21 VAL 8 1HG2 VAL 8 7.621 0.361 -15.977 55 HG22 VAL 8 2HG2 VAL 8 8.457 1.797 -15.379 56 HG23 VAL 8 3HG2 VAL 8 6.871 1.365 -14.732 57 H LYS 9 H LYS 9 8.622 1.143 -10.253 58 HA LYS 9 HA LYS 9 11.033 -0.363 -9.564 59 HB2 LYS 9 2HB LYS 9 9.060 1.168 -7.818 60 HB3 LYS 9 1HB LYS 9 10.581 0.466 -7.271 61 HG2 LYS 9 2HG LYS 9 11.854 2.016 -8.689 62 HG3 LYS 9 1HG LYS 9 10.354 2.663 -9.362 63 HD2 LYS 9 2HD LYS 9 11.256 4.196 -7.671 64 HD3 LYS 9 1HD LYS 9 9.716 3.525 -7.137 65 HE2 LYS 9 2HE LYS 9 11.270 3.579 -5.272 66 HE3 LYS 9 1HE LYS 9 10.956 1.899 -5.708 67 HZ1 LYS 9 1HZ LYS 9 13.368 3.491 -6.394 68 HZ2 LYS 9 2HZ LYS 9 13.067 1.931 -6.963 69 HZ3 LYS 9 3HZ LYS 9 13.285 2.200 -5.313 70 H TYR 10 H TYR 10 10.786 -2.522 -9.472 71 HA TYR 10 HA TYR 10 8.300 -3.837 -8.800 72 HB2 TYR 10 2HB TYR 10 11.077 -4.894 -9.455 73 HB3 TYR 10 1HB TYR 10 9.725 -5.943 -9.037 74 HD1 TYR 10 HD1 TYR 10 10.732 -3.283 -11.483 75 HD2 TYR 10 HD2 TYR 10 8.230 -6.660 -10.714 76 HE1 TYR 10 HE1 TYR 10 9.954 -3.240 -13.805 77 HE2 TYR 10 HE2 TYR 10 7.451 -6.610 -13.047 78 HH TYR 10 HH TYR 10 7.238 -4.833 -14.852 79 H TYR 11 H TYR 11 7.801 -3.365 -6.719 80 HA TYR 11 HA TYR 11 9.587 -3.918 -4.488 81 HB2 TYR 11 2HB TYR 11 6.700 -3.032 -4.748 82 HB3 TYR 11 1HB TYR 11 7.300 -3.607 -3.196 83 HD1 TYR 11 HD1 TYR 11 8.466 -2.156 -1.765 84 HD2 TYR 11 HD2 TYR 11 7.977 -1.041 -5.859 85 HE1 TYR 11 HE1 TYR 11 9.439 0.031 -1.282 86 HE2 TYR 11 HE2 TYR 11 8.951 1.164 -5.373 87 HH TYR 11 HH TYR 11 10.567 1.837 -2.427 88 H THR 12 H THR 12 9.292 -5.590 -2.981 89 HA THR 12 HA THR 12 7.674 -7.929 -3.857 90 HB THR 12 HB THR 12 9.193 -9.279 -2.306 91 HG1 THR 12 HG1 THR 12 10.035 -7.087 -1.411 92 HG21 THR 12 1HG2 THR 12 11.085 -9.445 -3.899 93 HG22 THR 12 2HG2 THR 12 10.567 -7.943 -4.668 94 HG23 THR 12 3HG2 THR 12 9.538 -9.375 -4.743 95 H LEU 13 H LEU 13 6.056 -8.552 -2.525 96 HA LEU 13 HA LEU 13 5.148 -6.871 -0.458 97 HB2 LEU 13 2HB LEU 13 3.830 -8.466 -2.053 98 HB3 LEU 13 1HB LEU 13 4.143 -9.704 -0.844 99 HG LEU 13 HG LEU 13 2.905 -8.359 0.851 100 HD11 LEU 13 1HD1 LEU 13 2.368 -6.407 -1.421 101 HD12 LEU 13 2HD1 LEU 13 3.360 -6.091 0.009 102 HD13 LEU 13 3HD1 LEU 13 1.628 -6.359 0.183 103 HD21 LEU 13 1HD2 LEU 13 1.692 -10.014 -0.486 104 HD22 LEU 13 2HD2 LEU 13 1.355 -8.791 -1.714 105 HD23 LEU 13 3HD2 LEU 13 0.659 -8.635 -0.098 106 H GLU 14 H GLU 14 7.200 -9.648 -0.467 107 HA GLU 14 HA GLU 14 7.335 -10.378 2.215 108 HB2 GLU 14 2HB GLU 14 8.485 -11.526 0.328 109 HB3 GLU 14 1HB GLU 14 9.600 -10.174 0.181 110 HG2 GLU 14 2HG GLU 14 10.422 -10.654 2.487 111 HG3 GLU 14 1HG GLU 14 9.345 -12.050 2.554 112 H GLU 15 H GLU 15 9.098 -7.794 0.493 113 HA GLU 15 HA GLU 15 10.502 -6.822 2.779 114 HB2 GLU 15 2HB GLU 15 10.861 -6.486 0.131 115 HB3 GLU 15 1HB GLU 15 9.972 -5.004 0.427 116 HG2 GLU 15 2HG GLU 15 12.627 -5.853 1.592 117 HG3 GLU 15 1HG GLU 15 12.321 -4.512 0.497 118 H ILE 16 H ILE 16 7.422 -5.989 1.258 119 HA ILE 16 HA ILE 16 6.999 -3.561 2.732 120 HB ILE 16 HB ILE 16 4.882 -5.185 1.242 121 HG12 ILE 16 2HG1 ILE 16 6.731 -3.016 0.113 122 HG13 ILE 16 1HG1 ILE 16 6.786 -4.727 -0.299 123 HG21 ILE 16 1HG2 ILE 16 3.726 -3.015 1.029 124 HG22 ILE 16 2HG2 ILE 16 5.035 -2.221 1.906 125 HG23 ILE 16 3HG2 ILE 16 4.020 -3.404 2.727 126 HD11 ILE 16 1HD1 ILE 16 4.520 -2.831 -0.884 127 HD12 ILE 16 2HD1 ILE 16 4.539 -4.556 -1.259 128 HD13 ILE 16 3HD1 ILE 16 5.692 -3.473 -2.039 129 H GLN 17 H GLN 17 6.225 -6.964 3.211 130 HA GLN 17 HA GLN 17 4.372 -6.812 5.335 131 HB2 GLN 17 2HB GLN 17 4.886 -8.941 4.172 132 HB3 GLN 17 1HB GLN 17 6.523 -8.917 4.818 133 HG2 GLN 17 2HG GLN 17 5.557 -9.087 7.126 134 HG3 GLN 17 1HG GLN 17 3.958 -9.248 6.402 135 HE21 GLN 17 1HE2 GLN 17 7.033 -10.808 6.937 136 HE22 GLN 17 2HE2 GLN 17 6.526 -12.398 6.490 137 H LYS 18 H LYS 18 7.820 -6.387 5.179 138 HA LYS 18 HA LYS 18 8.229 -6.053 8.037 139 HB2 LYS 18 2HB LYS 18 9.973 -7.036 6.587 140 HB3 LYS 18 1HB LYS 18 10.017 -5.578 5.605 141 HG2 LYS 18 2HG LYS 18 11.950 -5.736 7.098 142 HG3 LYS 18 1HG LYS 18 10.969 -4.316 7.467 143 HD2 LYS 18 2HD LYS 18 10.053 -5.384 9.442 144 HD3 LYS 18 1HD LYS 18 10.797 -6.931 9.014 145 HE2 LYS 18 2HE LYS 18 12.019 -5.711 10.820 146 HE3 LYS 18 1HE LYS 18 13.019 -6.028 9.401 147 HZ1 LYS 18 1HZ LYS 18 11.707 -3.441 10.069 148 HZ2 LYS 18 2HZ LYS 18 12.632 -3.738 8.687 149 HZ3 LYS 18 3HZ LYS 18 13.355 -3.795 10.211 150 H HIS 19 H HIS 19 6.588 -4.458 8.365 151 HA HIS 19 HA HIS 19 7.362 -1.706 7.586 152 HB2 HIS 19 2HB HIS 19 4.914 -1.085 7.516 153 HB3 HIS 19 1HB HIS 19 5.428 -2.166 6.228 154 HD1 HIS 19 HD1 HIS 19 4.639 -4.665 6.423 155 HD2 HIS 19 HD2 HIS 19 2.809 -2.059 9.084 156 HE1 HIS 19 HE1 HIS 19 2.711 -5.939 7.386 157 HE2 HIS 19 HE2 HIS 19 1.506 -4.277 8.824 158 H LYS 20 H LYS 20 8.475 -1.465 9.514 159 HA LYS 20 HA LYS 20 6.877 -1.290 12.010 160 HB2 LYS 20 2HB LYS 20 9.014 -2.583 12.125 161 HB3 LYS 20 1HB LYS 20 9.904 -1.155 11.625 162 HG2 LYS 20 2HG LYS 20 10.138 -1.493 14.031 163 HG3 LYS 20 1HG LYS 20 9.242 -0.006 13.720 164 HD2 LYS 20 2HD LYS 20 8.186 -1.184 15.567 165 HD3 LYS 20 1HD LYS 20 7.110 -1.252 14.170 166 HE2 LYS 20 2HE LYS 20 7.969 -3.560 13.689 167 HE3 LYS 20 1HE LYS 20 8.928 -3.475 15.167 168 HZ1 LYS 20 1HZ LYS 20 5.964 -3.319 15.007 169 HZ2 LYS 20 2HZ LYS 20 6.875 -3.201 16.420 170 HZ3 LYS 20 3HZ LYS 20 6.864 -4.643 15.552 171 H ASP 21 H ASP 21 8.678 0.547 9.649 172 HA ASP 21 HA ASP 21 8.363 3.090 11.073 173 HB2 ASP 21 2HB ASP 21 9.636 2.507 8.360 174 HB3 ASP 21 1HB ASP 21 9.707 4.037 9.238 175 H SER 22 H SER 22 6.879 4.561 10.515 176 HA SER 22 HA SER 22 4.730 4.095 8.709 177 HB2 SER 22 2HB SER 22 5.614 6.799 9.819 178 HB3 SER 22 1HB SER 22 3.990 6.325 9.312 179 HG SER 22 HG SER 22 4.334 4.633 11.089 180 H LYS 23 H LYS 23 7.909 5.384 8.345 181 HA LYS 23 HA LYS 23 7.372 6.834 5.882 182 HB2 LYS 23 2HB LYS 23 9.750 7.512 5.996 183 HB3 LYS 23 1HB LYS 23 8.856 7.889 7.453 184 HG2 LYS 23 2HG LYS 23 10.903 7.167 8.287 185 HG3 LYS 23 1HG LYS 23 9.898 5.737 8.447 186 HD2 LYS 23 2HD LYS 23 12.229 5.280 7.623 187 HD3 LYS 23 1HD LYS 23 10.962 4.687 6.550 188 HE2 LYS 23 2HE LYS 23 12.864 5.748 5.335 189 HE3 LYS 23 1HE LYS 23 11.328 6.550 5.019 190 HZ1 LYS 23 1HZ LYS 23 13.424 7.485 6.911 191 HZ2 LYS 23 2HZ LYS 23 11.963 8.272 6.597 192 HZ3 LYS 23 3HZ LYS 23 13.120 8.124 5.376 193 H SER 24 H SER 24 8.152 3.658 6.738 194 HA SER 24 HA SER 24 8.647 3.049 3.875 195 HB2 SER 24 2HB SER 24 9.814 1.581 6.285 196 HB3 SER 24 1HB SER 24 10.035 1.112 4.597 197 HG SER 24 HG SER 24 10.977 3.273 4.331 198 H THR 25 H THR 25 6.233 3.178 4.103 199 HA THR 25 HA THR 25 5.095 0.500 4.644 200 HB THR 25 HB THR 25 3.814 3.191 5.329 201 HG1 THR 25 HG1 THR 25 5.422 2.280 6.810 202 HG21 THR 25 1HG2 THR 25 2.656 0.398 5.684 203 HG22 THR 25 2HG2 THR 25 2.099 1.600 4.516 204 HG23 THR 25 3HG2 THR 25 1.926 1.906 6.244 205 H TRP 26 H TRP 26 3.920 -0.289 2.943 206 HA TRP 26 HA TRP 26 2.815 1.504 0.881 207 HB2 TRP 26 2HB TRP 26 4.507 -0.959 0.198 208 HB3 TRP 26 1HB TRP 26 3.744 0.127 -0.956 209 HD1 TRP 26 HD TRP 26 4.888 2.622 -1.216 210 HE1 TRP 26 HE1 TRP 26 7.291 3.401 -0.770 211 HE3 TRP 26 HE3 TRP 26 6.556 -1.332 1.584 212 HZ2 TRP 26 HZ2 TRP 26 9.594 2.486 0.561 213 HZ3 TRP 26 HZ3 TRP 26 8.876 -1.305 2.396 214 HH2 TRP 26 HH TRP 26 10.370 0.565 1.897 215 H VAL 27 H VAL 27 1.269 0.281 -0.520 216 HA VAL 27 HA VAL 27 0.186 -2.234 0.582 217 HB VAL 27 HB VAL 27 -2.172 -1.348 0.230 218 HG11 VAL 27 1HG1 VAL 27 -2.350 -0.148 2.374 219 HG12 VAL 27 2HG1 VAL 27 -0.594 0.036 2.423 220 HG13 VAL 27 3HG1 VAL 27 -1.317 -1.572 2.503 221 HG21 VAL 27 1HG2 VAL 27 -0.796 1.366 0.112 222 HG22 VAL 27 2HG2 VAL 27 -2.541 1.099 0.199 223 HG23 VAL 27 3HG2 VAL 27 -1.638 0.563 -1.219 224 H ILE 28 H ILE 28 -1.195 -3.373 -1.012 225 HA ILE 28 HA ILE 28 -0.728 -2.520 -3.815 226 HB ILE 28 HB ILE 28 -0.169 -4.733 -4.529 227 HG12 ILE 28 2HG1 ILE 28 -0.538 -5.858 -1.708 228 HG13 ILE 28 1HG1 ILE 28 -1.817 -5.917 -2.909 229 HG21 ILE 28 1HG2 ILE 28 1.309 -4.091 -1.951 230 HG22 ILE 28 2HG2 ILE 28 1.722 -3.537 -3.576 231 HG23 ILE 28 3HG2 ILE 28 1.871 -5.240 -3.159 232 HD11 ILE 28 1HD1 ILE 28 -0.643 -8.017 -2.796 233 HD12 ILE 28 2HD1 ILE 28 0.888 -7.215 -3.155 234 HD13 ILE 28 3HD1 ILE 28 -0.393 -7.257 -4.368 235 H LEU 29 H LEU 29 -2.380 -2.871 -5.258 236 HA LEU 29 HA LEU 29 -4.998 -3.420 -4.151 237 HB2 LEU 29 2HB LEU 29 -4.013 -2.460 -6.833 238 HB3 LEU 29 1HB LEU 29 -5.634 -3.117 -6.709 239 HG LEU 29 HG LEU 29 -5.664 -0.660 -6.561 240 HD11 LEU 29 1HD1 LEU 29 -6.449 -1.938 -3.926 241 HD12 LEU 29 2HD1 LEU 29 -7.424 -1.898 -5.400 242 HD13 LEU 29 3HD1 LEU 29 -7.039 -0.399 -4.563 243 HD21 LEU 29 1HD2 LEU 29 -4.718 0.557 -4.644 244 HD22 LEU 29 2HD2 LEU 29 -3.458 -0.253 -5.570 245 HD23 LEU 29 3HD2 LEU 29 -3.998 -0.936 -4.039 246 H HIS 30 H HIS 30 -2.776 -5.035 -6.462 247 HA HIS 30 HA HIS 30 -3.703 -7.624 -5.789 248 HB2 HIS 30 2HB HIS 30 -5.713 -6.932 -7.116 249 HB3 HIS 30 1HB HIS 30 -4.683 -6.677 -8.521 250 HD1 HIS 30 HD1 HIS 30 -5.182 -8.537 -10.095 251 HD2 HIS 30 HD2 HIS 30 -4.985 -9.874 -6.164 252 HE1 HIS 30 HE1 HIS 30 -5.413 -11.034 -10.215 253 HE2 HIS 30 HE2 HIS 30 -5.487 -11.784 -7.823 254 H HIS 31 H HIS 31 -2.149 -5.637 -8.277 255 HA HIS 31 HA HIS 31 0.073 -7.587 -8.453 256 HB2 HIS 31 2HB HIS 31 -1.433 -6.297 -10.754 257 HB3 HIS 31 1HB HIS 31 0.236 -6.796 -10.958 258 HD1 HIS 31 HD1 HIS 31 -2.522 -7.967 -12.301 259 HD2 HIS 31 HD2 HIS 31 -0.025 -9.766 -9.513 260 HE1 HIS 31 HE1 HIS 31 -2.866 -10.433 -12.579 261 HE2 HIS 31 HE2 HIS 31 -1.328 -11.499 -10.911 262 H LYS 32 H LYS 32 -0.956 -4.307 -8.089 263 HA LYS 32 HA LYS 32 1.761 -3.293 -8.746 264 HB2 LYS 32 2HB LYS 32 -0.013 -2.700 -10.424 265 HB3 LYS 32 1HB LYS 32 -0.883 -1.834 -9.162 266 HG2 LYS 32 2HG LYS 32 0.801 -0.162 -8.994 267 HG3 LYS 32 1HG LYS 32 1.977 -1.134 -9.875 268 HD2 LYS 32 2HD LYS 32 -0.539 0.067 -11.097 269 HD3 LYS 32 1HD LYS 32 1.076 0.762 -11.216 270 HE2 LYS 32 2HE LYS 32 1.834 -1.345 -12.365 271 HE3 LYS 32 1HE LYS 32 0.158 -1.898 -12.360 272 HZ1 LYS 32 1HZ LYS 32 1.171 0.559 -13.686 273 HZ2 LYS 32 2HZ LYS 32 -0.434 0.037 -13.694 274 HZ3 LYS 32 3HZ LYS 32 0.757 -0.878 -14.467 275 H VAL 33 H VAL 33 2.581 -1.605 -7.416 276 HA VAL 33 HA VAL 33 1.436 -1.600 -4.695 277 HB VAL 33 HB VAL 33 3.694 -2.700 -4.959 278 HG11 VAL 33 1HG1 VAL 33 5.712 -1.326 -5.298 279 HG12 VAL 33 2HG1 VAL 33 4.704 0.087 -5.618 280 HG13 VAL 33 3HG1 VAL 33 4.661 -1.290 -6.716 281 HG21 VAL 33 1HG2 VAL 33 3.021 -1.810 -2.787 282 HG22 VAL 33 2HG2 VAL 33 3.665 -0.222 -3.209 283 HG23 VAL 33 3HG2 VAL 33 4.758 -1.598 -3.022 284 H TYR 34 H TYR 34 1.319 0.312 -3.553 285 HA TYR 34 HA TYR 34 1.879 2.859 -4.925 286 HB2 TYR 34 2HB TYR 34 -0.776 2.099 -3.618 287 HB3 TYR 34 1HB TYR 34 -0.352 3.731 -4.140 288 HD1 TYR 34 HD1 TYR 34 -1.528 0.460 -5.225 289 HD2 TYR 34 HD2 TYR 34 0.028 4.188 -6.584 290 HE1 TYR 34 HE1 TYR 34 -2.274 -0.054 -7.501 291 HE2 TYR 34 HE2 TYR 34 -0.735 3.678 -8.859 292 HH TYR 34 HH TYR 34 -1.358 1.865 -10.222 293 H ASP 35 H ASP 35 2.258 4.572 -3.561 294 HA ASP 35 HA ASP 35 3.617 3.874 -1.173 295 HB2 ASP 35 2HB ASP 35 4.389 5.697 -2.713 296 HB3 ASP 35 1HB ASP 35 2.986 6.658 -2.254 297 H LEU 36 H LEU 36 2.779 3.684 0.758 298 HA LEU 36 HA LEU 36 0.164 4.870 1.455 299 HB2 LEU 36 2HB LEU 36 0.676 2.311 1.492 300 HB3 LEU 36 1HB LEU 36 1.612 2.640 2.930 301 HG LEU 36 HG LEU 36 -0.652 1.721 3.402 302 HD11 LEU 36 1HD1 LEU 36 0.421 3.095 5.106 303 HD12 LEU 36 2HD1 LEU 36 -1.331 3.221 5.149 304 HD13 LEU 36 3HD1 LEU 36 -0.372 4.529 4.457 305 HD21 LEU 36 1HD2 LEU 36 -1.886 2.695 1.531 306 HD22 LEU 36 2HD2 LEU 36 -1.729 4.302 2.240 307 HD23 LEU 36 3HD2 LEU 36 -2.671 3.059 3.066 308 H THR 37 H THR 37 3.551 4.874 2.072 309 HA THR 37 HA THR 37 4.059 5.708 4.598 310 HB THR 37 HB THR 37 5.298 6.460 1.937 311 HG1 THR 37 HG1 THR 37 5.500 4.335 2.824 312 HG21 THR 37 1HG2 THR 37 7.295 7.350 3.144 313 HG22 THR 37 2HG2 THR 37 6.371 7.323 4.647 314 HG23 THR 37 3HG2 THR 37 5.874 8.381 3.324 315 H LYS 38 H LYS 38 3.133 7.823 1.907 316 HA LYS 38 HA LYS 38 3.000 10.200 3.557 317 HB2 LYS 38 2HB LYS 38 3.771 10.276 1.196 318 HB3 LYS 38 1HB LYS 38 2.198 9.725 0.662 319 HG2 LYS 38 2HG LYS 38 2.290 12.057 0.234 320 HG3 LYS 38 1HG LYS 38 1.197 11.843 1.595 321 HD2 LYS 38 2HD LYS 38 4.111 12.573 2.038 322 HD3 LYS 38 1HD LYS 38 2.923 13.809 1.628 323 HE2 LYS 38 2HE LYS 38 2.855 12.001 4.063 324 HE3 LYS 38 1HE LYS 38 3.250 13.715 4.048 325 HZ1 LYS 38 1HZ LYS 38 0.618 12.483 3.429 326 HZ2 LYS 38 2HZ LYS 38 0.970 14.118 3.196 327 HZ3 LYS 38 3HZ LYS 38 1.016 13.468 4.749 328 H PHE 39 H PHE 39 0.796 7.935 1.992 329 HA PHE 39 HA PHE 39 -1.587 9.359 2.115 330 HB2 PHE 39 2HB PHE 39 -1.152 7.342 0.724 331 HB3 PHE 39 1HB PHE 39 -1.214 6.337 2.167 332 HD1 PHE 39 HD1 PHE 39 -3.300 8.782 0.213 333 HD2 PHE 39 HD2 PHE 39 -3.291 5.357 2.773 334 HE1 PHE 39 HE1 PHE 39 -5.719 8.504 -0.133 335 HE2 PHE 39 HE2 PHE 39 -5.707 5.094 2.414 336 HZ PHE 39 HZ PHE 39 -6.913 6.666 0.962 337 H LEU 40 H LEU 40 -0.067 7.400 4.619 338 HA LEU 40 HA LEU 40 -2.357 7.244 6.325 339 HB2 LEU 40 2HB LEU 40 -0.722 6.406 8.037 340 HB3 LEU 40 1HB LEU 40 -0.769 5.520 6.532 341 HG LEU 40 HG LEU 40 1.369 6.912 5.883 342 HD11 LEU 40 1HD1 LEU 40 2.801 7.588 7.743 343 HD12 LEU 40 2HD1 LEU 40 1.511 7.215 8.892 344 HD13 LEU 40 3HD1 LEU 40 1.305 8.522 7.726 345 HD21 LEU 40 1HD2 LEU 40 1.532 4.742 7.994 346 HD22 LEU 40 2HD2 LEU 40 2.850 5.246 6.928 347 HD23 LEU 40 3HD2 LEU 40 1.405 4.498 6.251 348 H GLU 41 H GLU 41 0.176 9.615 5.892 349 HA GLU 41 HA GLU 41 -0.297 11.092 8.310 350 HB2 GLU 41 2HB GLU 41 1.158 11.771 5.731 351 HB3 GLU 41 1HB GLU 41 1.024 12.915 7.065 352 HG2 GLU 41 2HG GLU 41 2.342 10.191 7.191 353 HG3 GLU 41 1HG GLU 41 3.167 11.745 7.095 354 H GLU 42 H GLU 42 -1.878 10.993 5.222 355 HA GLU 42 HA GLU 42 -3.216 13.460 5.242 356 HB2 GLU 42 2HB GLU 42 -3.647 10.787 3.956 357 HB3 GLU 42 1HB GLU 42 -5.042 11.842 4.019 358 HG2 GLU 42 2HG GLU 42 -3.739 11.979 1.883 359 HG3 GLU 42 1HG GLU 42 -3.955 13.522 2.705 360 H PHE 43 H PHE 43 -3.668 10.605 7.178 361 HA PHE 43 HA PHE 43 -6.128 11.690 8.407 362 HB2 PHE 43 2HB PHE 43 -5.000 8.954 9.072 363 HB3 PHE 43 1HB PHE 43 -6.675 9.497 9.096 364 HD1 PHE 43 HD1 PHE 43 -4.554 7.352 7.423 365 HD2 PHE 43 HD2 PHE 43 -7.415 10.430 6.575 366 HE1 PHE 43 HE1 PHE 43 -4.810 6.503 5.131 367 HE2 PHE 43 HE2 PHE 43 -7.659 9.563 4.287 368 HZ PHE 43 HZ PHE 43 -6.356 7.618 3.574 369 HA PRO 44 HA PRO 44 -3.503 13.204 11.788 370 HB2 PRO 44 2HB PRO 44 -5.513 13.480 13.714 371 HB3 PRO 44 1HB PRO 44 -5.178 14.669 12.442 372 HG2 PRO 44 2HG PRO 44 -7.273 12.525 12.500 373 HG3 PRO 44 1HG PRO 44 -7.407 14.210 11.950 374 HD2 PRO 44 2HD PRO 44 -7.159 12.202 10.181 375 HD3 PRO 44 1HD PRO 44 -6.362 13.769 9.900 376 H GLY 45 H GLY 45 -2.238 11.412 12.186 377 HA2 GLY 45 2HA GLY 45 -1.326 9.714 13.443 378 HA3 GLY 45 1HA GLY 45 -2.632 9.932 14.600 379 H GLY 46 H GLY 46 -3.079 9.202 11.181 380 HA2 GLY 46 2HA GLY 46 -4.726 6.876 11.888 381 HA3 GLY 46 1HA GLY 46 -4.709 7.735 10.359 382 H GLU 47 H GLU 47 -1.617 6.910 11.648 383 HA GLU 47 HA GLU 47 -1.012 5.049 9.578 384 HB2 GLU 47 2HB GLU 47 0.711 6.448 10.607 385 HB3 GLU 47 1HB GLU 47 0.463 5.680 12.169 386 HG2 GLU 47 2HG GLU 47 1.163 3.798 9.976 387 HG3 GLU 47 1HG GLU 47 2.411 4.984 10.337 388 H GLU 48 H GLU 48 -1.949 4.703 12.962 389 HA GLU 48 HA GLU 48 -1.343 1.967 13.268 390 HB2 GLU 48 2HB GLU 48 -2.835 2.108 15.298 391 HB3 GLU 48 1HB GLU 48 -1.572 3.329 15.213 392 HG2 GLU 48 2HG GLU 48 -3.209 4.996 14.434 393 HG3 GLU 48 1HG GLU 48 -4.483 3.779 14.499 394 H VAL 49 H VAL 49 -4.223 3.492 11.918 395 HA VAL 49 HA VAL 49 -5.966 1.242 12.387 396 HB VAL 49 HB VAL 49 -6.779 3.600 12.325 397 HG11 VAL 49 1HG1 VAL 49 -5.467 4.464 10.442 398 HG12 VAL 49 2HG1 VAL 49 -7.189 4.757 10.199 399 HG13 VAL 49 3HG1 VAL 49 -6.384 3.455 9.321 400 HG21 VAL 49 1HG2 VAL 49 -8.168 1.770 10.338 401 HG22 VAL 49 2HG2 VAL 49 -8.902 3.151 11.161 402 HG23 VAL 49 3HG2 VAL 49 -8.373 1.747 12.091 403 H LEU 50 H LEU 50 -3.878 2.210 9.749 404 HA LEU 50 HA LEU 50 -5.032 0.153 7.955 405 HB2 LEU 50 2HB LEU 50 -3.667 1.464 6.158 406 HB3 LEU 50 1HB LEU 50 -5.174 2.131 6.753 407 HG LEU 50 HG LEU 50 -3.876 3.671 8.258 408 HD11 LEU 50 1HD1 LEU 50 -1.446 2.635 6.789 409 HD12 LEU 50 2HD1 LEU 50 -1.804 2.438 8.501 410 HD13 LEU 50 3HD1 LEU 50 -1.482 4.042 7.855 411 HD21 LEU 50 1HD2 LEU 50 -3.153 5.226 6.490 412 HD22 LEU 50 2HD2 LEU 50 -4.707 4.488 6.115 413 HD23 LEU 50 3HD2 LEU 50 -3.245 3.922 5.302 414 H ARG 51 H ARG 51 -2.347 0.797 9.924 415 HA ARG 51 HA ARG 51 -0.174 -0.309 8.563 416 HB2 ARG 51 2HB ARG 51 0.270 0.948 10.530 417 HB3 ARG 51 1HB ARG 51 -0.823 -0.011 11.513 418 HG2 ARG 51 2HG ARG 51 0.740 -1.846 11.594 419 HG3 ARG 51 1HG ARG 51 1.776 -1.088 10.383 420 HD2 ARG 51 2HD ARG 51 2.538 -0.926 12.824 421 HD3 ARG 51 1HD ARG 51 2.538 0.558 11.881 422 HE ARG 51 HE ARG 51 0.983 1.453 13.285 423 HH11 ARG 51 1HH1 ARG 51 1.037 -2.003 13.932 424 HH12 ARG 51 2HH1 ARG 51 0.044 -1.870 15.349 425 HH21 ARG 51 1HH2 ARG 51 -0.232 1.622 15.183 426 HH22 ARG 51 2HH2 ARG 51 -0.681 0.192 16.064 427 H GLU 52 H GLU 52 -2.739 -1.920 10.342 428 HA GLU 52 HA GLU 52 -1.495 -4.496 10.499 429 HB2 GLU 52 2HB GLU 52 -4.447 -3.789 10.687 430 HB3 GLU 52 1HB GLU 52 -3.706 -5.297 11.226 431 HG2 GLU 52 2HG GLU 52 -2.359 -3.972 12.885 432 HG3 GLU 52 1HG GLU 52 -3.249 -2.532 12.397 433 H GLN 53 H GLN 53 -3.486 -2.890 8.078 434 HA GLN 53 HA GLN 53 -3.720 -5.316 6.430 435 HB2 GLN 53 2HB GLN 53 -4.776 -2.525 5.810 436 HB3 GLN 53 1HB GLN 53 -5.160 -4.008 4.952 437 HG2 GLN 53 2HG GLN 53 -7.073 -3.709 6.221 438 HG3 GLN 53 1HG GLN 53 -6.150 -4.785 7.265 439 HE21 GLN 53 1HE2 GLN 53 -7.296 -1.526 6.806 440 HE22 GLN 53 2HE2 GLN 53 -7.012 -0.978 8.422 441 H ALA 54 H ALA 54 -1.635 -2.633 6.791 442 HA ALA 54 HA ALA 54 -0.754 -2.219 4.129 443 HB1 ALA 54 1HB ALA 54 1.191 -1.107 5.153 444 HB2 ALA 54 2HB ALA 54 0.761 -1.783 6.728 445 HB3 ALA 54 3HB ALA 54 -0.307 -0.616 5.946 446 H GLY 55 H GLY 55 1.002 -3.112 2.971 447 HA2 GLY 55 2HA GLY 55 2.432 -4.795 2.279 448 HA3 GLY 55 1HA GLY 55 2.627 -5.248 3.965 449 H GLY 56 H GLY 56 -0.508 -5.136 2.363 450 HA2 GLY 56 2HA GLY 56 -0.581 -7.940 1.654 451 HA3 GLY 56 1HA GLY 56 -1.522 -7.556 3.092 452 H ASP 57 H ASP 57 -2.840 -5.330 2.662 453 HA ASP 57 HA ASP 57 -4.451 -5.861 0.237 454 HB2 ASP 57 2HB ASP 57 -5.577 -6.773 2.238 455 HB3 ASP 57 1HB ASP 57 -5.480 -5.196 3.027 456 H ALA 58 H ALA 58 -5.604 -4.176 -0.673 457 HA ALA 58 HA ALA 58 -5.570 -1.496 0.419 458 HB1 ALA 58 1HB ALA 58 -4.636 -0.394 -1.530 459 HB2 ALA 58 2HB ALA 58 -4.389 -1.939 -2.346 460 HB3 ALA 58 3HB ALA 58 -3.463 -1.547 -0.899 461 H THR 59 H THR 59 -6.995 -3.994 -1.461 462 HA THR 59 HA THR 59 -8.654 -2.565 -3.241 463 HB THR 59 HB THR 59 -10.149 -4.559 -3.280 464 HG1 THR 59 HG1 THR 59 -8.479 -5.880 -1.422 465 HG21 THR 59 1HG2 THR 59 -8.099 -4.638 -4.646 466 HG22 THR 59 2HG2 THR 59 -8.537 -6.241 -4.051 467 HG23 THR 59 3HG2 THR 59 -7.220 -5.348 -3.287 468 H GLU 60 H GLU 60 -9.173 -3.764 0.035 469 HA GLU 60 HA GLU 60 -11.616 -2.202 0.382 470 HB2 GLU 60 2HB GLU 60 -10.196 -4.048 2.355 471 HB3 GLU 60 1HB GLU 60 -11.828 -3.403 2.501 472 HG2 GLU 60 2HG GLU 60 -12.511 -4.708 0.488 473 HG3 GLU 60 1HG GLU 60 -10.879 -5.370 0.390 474 H ASN 61 H ASN 61 -8.330 -2.561 1.733 475 HA ASN 61 HA ASN 61 -8.555 -0.834 3.894 476 HB2 ASN 61 2HB ASN 61 -6.778 -2.443 3.839 477 HB3 ASN 61 1HB ASN 61 -6.113 -1.773 2.354 478 HD21 ASN 61 1HD2 ASN 61 -4.622 -0.146 2.509 479 HD22 ASN 61 2HD2 ASN 61 -4.126 0.588 3.984 480 H PHE 62 H PHE 62 -6.775 -0.071 0.855 481 HA PHE 62 HA PHE 62 -5.911 2.480 1.571 482 HB2 PHE 62 2HB PHE 62 -5.055 1.064 -0.332 483 HB3 PHE 62 1HB PHE 62 -6.488 1.467 -1.252 484 HD1 PHE 62 HD1 PHE 62 -6.608 3.619 -2.460 485 HD2 PHE 62 HD2 PHE 62 -3.312 2.795 0.139 486 HE1 PHE 62 HE1 PHE 62 -5.365 5.527 -3.410 487 HE2 PHE 62 HE2 PHE 62 -2.088 4.706 -0.810 488 HZ PHE 62 HZ PHE 62 -3.111 6.072 -2.586 489 H GLU 63 H GLU 63 -8.994 1.439 0.338 490 HA GLU 63 HA GLU 63 -9.933 4.122 -0.330 491 HB2 GLU 63 2HB GLU 63 -10.333 2.169 -1.848 492 HB3 GLU 63 1HB GLU 63 -11.337 1.438 -0.603 493 HG2 GLU 63 2HG GLU 63 -12.885 3.378 -0.749 494 HG3 GLU 63 1HG GLU 63 -11.888 4.061 -2.031 495 H ASP 64 H ASP 64 -10.437 1.608 2.107 496 HA ASP 64 HA ASP 64 -12.924 2.637 3.157 497 HB2 ASP 64 2HB ASP 64 -12.375 0.233 3.304 498 HB3 ASP 64 1HB ASP 64 -10.960 0.584 4.286 499 H VAL 65 H VAL 65 -9.619 2.411 4.430 500 HA VAL 65 HA VAL 65 -10.055 4.216 6.631 501 HB VAL 65 HB VAL 65 -7.671 4.022 7.090 502 HG11 VAL 65 1HG1 VAL 65 -8.775 1.318 6.232 503 HG12 VAL 65 2HG1 VAL 65 -9.063 2.117 7.780 504 HG13 VAL 65 3HG1 VAL 65 -7.436 1.578 7.360 505 HG21 VAL 65 1HG2 VAL 65 -6.737 4.241 4.849 506 HG22 VAL 65 2HG2 VAL 65 -7.404 2.684 4.374 507 HG23 VAL 65 3HG2 VAL 65 -6.129 2.759 5.584 508 H GLY 66 H GLY 66 -9.188 4.459 3.308 509 HA2 GLY 66 2HA GLY 66 -8.021 7.066 3.276 510 HA3 GLY 66 1HA GLY 66 -8.627 6.162 1.905 511 H PHE 67 H PHE 67 -9.018 8.826 1.909 512 HA PHE 67 HA PHE 67 -11.570 9.631 2.918 513 HB2 PHE 67 2HB PHE 67 -10.030 10.774 0.555 514 HB3 PHE 67 1HB PHE 67 -11.318 11.574 1.437 515 HD1 PHE 67 HD1 PHE 67 -7.960 11.739 0.951 516 HD2 PHE 67 HD2 PHE 67 -10.734 11.443 4.198 517 HE1 PHE 67 HE1 PHE 67 -6.330 12.793 2.454 518 HE2 PHE 67 HE2 PHE 67 -9.090 12.501 5.688 519 HZ PHE 67 HZ PHE 67 -6.893 13.179 4.816 520 H SER 68 H SER 68 -13.434 10.202 1.459 521 HA SER 68 HA SER 68 -14.526 7.845 0.513 522 HB2 SER 68 2HB SER 68 -15.859 9.760 1.335 523 HB3 SER 68 1HB SER 68 -15.453 10.681 -0.114 524 HG SER 68 HG SER 68 -16.542 8.185 -0.579 525 H THR 69 H THR 69 -13.949 10.670 -1.662 526 HA THR 69 HA THR 69 -13.762 8.834 -3.944 527 HB THR 69 HB THR 69 -14.002 10.951 -5.322 528 HG1 THR 69 HG1 THR 69 -14.402 12.849 -4.322 529 HG21 THR 69 1HG2 THR 69 -15.980 9.548 -4.819 530 HG22 THR 69 2HG2 THR 69 -16.415 11.260 -4.852 531 HG23 THR 69 3HG2 THR 69 -16.224 10.426 -3.309 532 H ASP 70 H ASP 70 -11.715 10.873 -1.994 533 HA ASP 70 HA ASP 70 -9.674 11.443 -3.873 534 HB2 ASP 70 2HB ASP 70 -9.530 11.224 -0.842 535 HB3 ASP 70 1HB ASP 70 -8.139 11.669 -1.820 536 H ALA 71 H ALA 71 -9.904 8.831 -1.426 537 HA ALA 71 HA ALA 71 -7.428 7.620 -1.881 538 HB1 ALA 71 1HB ALA 71 -10.011 6.314 -0.987 539 HB2 ALA 71 2HB ALA 71 -8.851 7.141 0.054 540 HB3 ALA 71 3HB ALA 71 -8.385 5.652 -0.769 541 H ARG 72 H ARG 72 -10.472 7.196 -3.531 542 HA ARG 72 HA ARG 72 -9.987 4.866 -5.022 543 HB2 ARG 72 2HB ARG 72 -11.756 7.265 -5.633 544 HB3 ARG 72 1HB ARG 72 -11.845 5.720 -6.475 545 HG2 ARG 72 2HG ARG 72 -12.587 4.583 -4.487 546 HG3 ARG 72 1HG ARG 72 -12.275 6.004 -3.485 547 HD2 ARG 72 2HD ARG 72 -14.676 5.729 -3.919 548 HD3 ARG 72 1HD ARG 72 -14.071 7.227 -4.629 549 HE ARG 72 HE ARG 72 -13.940 5.500 -6.702 550 HH11 ARG 72 1HH1 ARG 72 -16.581 6.322 -4.506 551 HH12 ARG 72 2HH1 ARG 72 -17.813 6.001 -5.690 552 HH21 ARG 72 1HH2 ARG 72 -15.537 5.086 -8.224 553 HH22 ARG 72 2HH2 ARG 72 -17.213 5.294 -7.809 554 H GLU 73 H GLU 73 -9.331 8.302 -5.774 555 HA GLU 73 HA GLU 73 -8.203 7.575 -8.390 556 HB2 GLU 73 2HB GLU 73 -8.392 9.868 -8.993 557 HB3 GLU 73 1HB GLU 73 -9.861 9.481 -8.119 558 HG2 GLU 73 2HG GLU 73 -9.496 11.382 -6.945 559 HG3 GLU 73 1HG GLU 73 -8.245 10.486 -6.094 560 H LEU 74 H LEU 74 -7.146 8.281 -5.204 561 HA LEU 74 HA LEU 74 -4.739 9.697 -5.742 562 HB2 LEU 74 2HB LEU 74 -6.137 8.721 -3.351 563 HB3 LEU 74 1HB LEU 74 -4.409 8.487 -3.185 564 HG LEU 74 HG LEU 74 -4.000 10.896 -3.489 565 HD11 LEU 74 1HD1 LEU 74 -6.989 11.243 -3.785 566 HD12 LEU 74 2HD1 LEU 74 -5.791 11.447 -5.060 567 HD13 LEU 74 3HD1 LEU 74 -5.794 12.539 -3.677 568 HD21 LEU 74 1HD2 LEU 74 -4.462 10.086 -1.212 569 HD22 LEU 74 2HD2 LEU 74 -6.181 10.421 -1.434 570 HD23 LEU 74 3HD2 LEU 74 -5.017 11.748 -1.431 571 H SER 75 H SER 75 -5.414 6.464 -6.292 572 HA SER 75 HA SER 75 -2.996 5.140 -5.922 573 HB2 SER 75 2HB SER 75 -4.934 4.856 -8.254 574 HB3 SER 75 1HB SER 75 -3.775 3.642 -7.705 575 HG SER 75 HG SER 75 -5.146 4.265 -5.576 576 H LYS 76 H LYS 76 -4.049 7.011 -8.852 577 HA LYS 76 HA LYS 76 -1.605 6.786 -10.284 578 HB2 LYS 76 2HB LYS 76 -2.429 8.658 -11.694 579 HB3 LYS 76 1HB LYS 76 -3.673 7.440 -11.433 580 HG2 LYS 76 2HG LYS 76 -4.786 8.830 -9.802 581 HG3 LYS 76 1HG LYS 76 -3.486 10.021 -9.858 582 HD2 LYS 76 2HD LYS 76 -4.065 10.646 -12.121 583 HD3 LYS 76 1HD LYS 76 -5.219 9.312 -12.253 584 HE2 LYS 76 2HE LYS 76 -6.339 11.487 -11.889 585 HE3 LYS 76 1HE LYS 76 -6.668 10.350 -10.584 586 HZ1 LYS 76 1HZ LYS 76 -6.211 12.600 -9.796 587 HZ2 LYS 76 2HZ LYS 76 -4.661 12.540 -10.468 588 HZ3 LYS 76 3HZ LYS 76 -5.076 11.494 -9.209 589 H LYS 77 H LYS 77 -2.485 8.758 -7.624 590 HA LYS 77 HA LYS 77 -0.498 10.835 -7.994 591 HB2 LYS 77 2HB LYS 77 -2.793 11.140 -6.928 592 HB3 LYS 77 1HB LYS 77 -2.232 10.218 -5.547 593 HG2 LYS 77 2HG LYS 77 -0.792 12.723 -6.435 594 HG3 LYS 77 1HG LYS 77 -2.244 12.821 -5.442 595 HD2 LYS 77 2HD LYS 77 -1.189 11.668 -3.620 596 HD3 LYS 77 1HD LYS 77 0.191 11.200 -4.619 597 HE2 LYS 77 2HE LYS 77 0.746 13.046 -3.083 598 HE3 LYS 77 1HE LYS 77 0.910 13.529 -4.769 599 HZ1 LYS 77 1HZ LYS 77 -1.442 14.133 -3.060 600 HZ2 LYS 77 2HZ LYS 77 -1.178 14.677 -4.636 601 HZ3 LYS 77 3HZ LYS 77 -0.182 15.212 -3.384 602 H TYR 78 H TYR 78 -0.904 7.855 -6.105 603 HA TYR 78 HA TYR 78 1.750 8.167 -4.843 604 HB2 TYR 78 2HB TYR 78 -0.626 6.396 -4.144 605 HB3 TYR 78 1HB TYR 78 0.942 6.272 -3.347 606 HD1 TYR 78 HD1 TYR 78 -2.235 7.719 -3.035 607 HD2 TYR 78 HD2 TYR 78 1.900 8.653 -2.501 608 HE1 TYR 78 HE1 TYR 78 -2.834 9.539 -1.511 609 HE2 TYR 78 HE2 TYR 78 1.283 10.472 -0.973 610 HH TYR 78 HH TYR 78 -1.685 10.803 0.405 611 H ILE 79 H ILE 79 1.205 7.212 -7.712 612 HA ILE 79 HA ILE 79 1.866 4.434 -7.708 613 HB ILE 79 HB ILE 79 0.717 5.319 -9.650 614 HG12 ILE 79 2HG1 ILE 79 2.098 4.371 -11.474 615 HG13 ILE 79 1HG1 ILE 79 3.531 4.460 -10.458 616 HG21 ILE 79 1HG2 ILE 79 1.564 7.618 -9.690 617 HG22 ILE 79 2HG2 ILE 79 1.719 6.860 -11.277 618 HG23 ILE 79 3HG2 ILE 79 3.140 7.043 -10.244 619 HD11 ILE 79 1HD1 ILE 79 1.108 2.744 -9.921 620 HD12 ILE 79 2HD1 ILE 79 2.594 2.783 -8.965 621 HD13 ILE 79 3HD1 ILE 79 2.628 2.198 -10.629 622 H ILE 80 H ILE 80 3.624 3.840 -6.725 623 HA ILE 80 HA ILE 80 6.176 5.291 -7.012 624 HB ILE 80 HB ILE 80 5.265 4.861 -4.713 625 HG12 ILE 80 2HG1 ILE 80 7.903 3.389 -5.160 626 HG13 ILE 80 1HG1 ILE 80 7.748 5.140 -5.143 627 HG21 ILE 80 1HG2 ILE 80 5.304 2.604 -3.731 628 HG22 ILE 80 2HG2 ILE 80 5.778 1.925 -5.289 629 HG23 ILE 80 3HG2 ILE 80 4.193 2.678 -5.105 630 HD11 ILE 80 1HD1 ILE 80 8.584 4.350 -3.030 631 HD12 ILE 80 2HD1 ILE 80 7.196 3.281 -2.830 632 HD13 ILE 80 3HD1 ILE 80 6.973 5.033 -2.810 633 H GLY 81 H GLY 81 4.535 2.408 -7.949 634 HA2 GLY 81 2HA GLY 81 6.124 1.577 -9.993 635 HA3 GLY 81 1HA GLY 81 6.875 0.818 -8.587 636 H GLU 82 H GLU 82 6.306 -1.263 -9.450 637 HA GLU 82 HA GLU 82 3.509 -2.002 -8.834 638 HB2 GLU 82 2HB GLU 82 3.650 -3.752 -10.613 639 HB3 GLU 82 1HB GLU 82 3.663 -2.099 -11.221 640 HG2 GLU 82 2HG GLU 82 6.101 -2.223 -11.531 641 HG3 GLU 82 1HG GLU 82 6.098 -3.889 -10.926 642 H LEU 83 H LEU 83 3.182 -4.039 -7.971 643 HA LEU 83 HA LEU 83 5.280 -5.012 -6.260 644 HB2 LEU 83 2HB LEU 83 2.766 -4.687 -5.746 645 HB3 LEU 83 1HB LEU 83 2.489 -6.158 -6.645 646 HG LEU 83 HG LEU 83 2.525 -6.333 -4.101 647 HD11 LEU 83 1HD1 LEU 83 2.672 -8.333 -5.448 648 HD12 LEU 83 2HD1 LEU 83 3.615 -8.473 -3.969 649 HD13 LEU 83 3HD1 LEU 83 4.429 -8.189 -5.510 650 HD21 LEU 83 1HD2 LEU 83 5.518 -6.037 -4.416 651 HD22 LEU 83 2HD2 LEU 83 4.645 -6.437 -2.935 652 HD23 LEU 83 3HD2 LEU 83 4.428 -4.858 -3.682 653 H HIS 84 H HIS 84 5.960 -7.205 -6.190 654 HA HIS 84 HA HIS 84 6.796 -8.293 -8.660 655 HB2 HIS 84 2HB HIS 84 7.857 -8.387 -6.230 656 HB3 HIS 84 1HB HIS 84 6.882 -9.838 -6.043 657 HD1 HIS 84 HD1 HIS 84 8.630 -11.628 -6.106 658 HD2 HIS 84 HD2 HIS 84 9.113 -8.857 -9.167 659 HE1 HIS 84 HE1 HIS 84 10.524 -12.483 -7.505 660 HE2 HIS 84 HE2 HIS 84 10.922 -10.681 -9.197 661 HA PRO 85 HA PRO 85 2.946 -10.295 -9.677 662 HB2 PRO 85 2HB PRO 85 3.933 -12.170 -11.552 663 HB3 PRO 85 1HB PRO 85 3.469 -10.494 -11.892 664 HG2 PRO 85 2HG PRO 85 6.186 -11.633 -11.432 665 HG3 PRO 85 1HG PRO 85 5.674 -10.338 -12.535 666 HD2 PRO 85 2HD PRO 85 6.955 -9.787 -10.218 667 HD3 PRO 85 1HD PRO 85 5.699 -8.711 -10.861 668 H ASP 86 H ASP 86 5.601 -12.276 -8.488 669 HA ASP 86 HA ASP 86 3.942 -14.547 -7.829 670 HB2 ASP 86 2HB ASP 86 6.353 -14.804 -8.206 671 HB3 ASP 86 1HB ASP 86 6.715 -13.739 -6.854 672 H ASP 87 H ASP 87 5.331 -11.799 -6.034 673 HA ASP 87 HA ASP 87 4.830 -12.784 -3.448 674 HB2 ASP 87 2HB ASP 87 5.577 -10.093 -4.561 675 HB3 ASP 87 1HB ASP 87 5.101 -10.189 -2.873 676 H ARG 88 H ARG 88 2.720 -11.071 -5.606 677 HA ARG 88 HA ARG 88 0.932 -9.966 -3.714 678 HB2 ARG 88 2HB ARG 88 -0.605 -9.726 -5.698 679 HB3 ARG 88 1HB ARG 88 1.010 -9.071 -5.920 680 HG2 ARG 88 2HG ARG 88 0.726 -10.124 -7.949 681 HG3 ARG 88 1HG ARG 88 1.518 -11.402 -7.035 682 HD2 ARG 88 2HD ARG 88 -0.764 -12.380 -6.565 683 HD3 ARG 88 1HD ARG 88 -1.451 -11.168 -7.654 684 HE ARG 88 HE ARG 88 0.513 -12.400 -9.124 685 HH11 ARG 88 1HH1 ARG 88 -2.375 -13.581 -7.448 686 HH12 ARG 88 2HH1 ARG 88 -2.589 -14.908 -8.554 687 HH21 ARG 88 1HH2 ARG 88 0.177 -14.122 -10.547 688 HH22 ARG 88 2HH2 ARG 88 -1.157 -15.211 -10.291 689 H SER 89 H SER 89 1.048 -13.168 -5.213 690 HA SER 89 HA SER 89 -1.451 -14.033 -3.939 691 HB2 SER 89 2HB SER 89 -0.965 -14.748 -6.265 692 HB3 SER 89 1HB SER 89 0.516 -15.542 -5.725 693 HG SER 89 HG SER 89 -0.677 -17.053 -4.660 694 H LYS 90 H LYS 90 2.007 -14.465 -3.783 695 HA LYS 90 HA LYS 90 2.386 -16.546 -2.004 696 HB2 LYS 90 2HB LYS 90 4.192 -15.598 -3.268 697 HB3 LYS 90 1HB LYS 90 3.902 -14.002 -2.603 698 HG2 LYS 90 2HG LYS 90 4.678 -14.947 -0.355 699 HG3 LYS 90 1HG LYS 90 5.248 -16.355 -1.262 700 HD2 LYS 90 2HD LYS 90 6.742 -14.969 -2.599 701 HD3 LYS 90 1HD LYS 90 6.042 -13.493 -1.933 702 HE2 LYS 90 2HE LYS 90 6.948 -14.106 0.294 703 HE3 LYS 90 1HE LYS 90 7.711 -15.524 -0.424 704 HZ1 LYS 90 1HZ LYS 90 9.055 -14.101 -1.798 705 HZ2 LYS 90 2HZ LYS 90 9.219 -13.623 -0.183 706 HZ3 LYS 90 3HZ LYS 90 8.258 -12.713 -1.235 707 H ILE 91 H ILE 91 1.956 -13.075 -1.254 708 HA ILE 91 HA ILE 91 1.279 -13.731 1.559 709 HB ILE 91 HB ILE 91 2.768 -11.202 0.655 710 HG12 ILE 91 2HG1 ILE 91 3.900 -13.707 1.998 711 HG13 ILE 91 1HG1 ILE 91 4.272 -13.139 0.376 712 HG21 ILE 91 1HG2 ILE 91 2.279 -12.275 3.464 713 HG22 ILE 91 2HG2 ILE 91 1.446 -10.900 2.739 714 HG23 ILE 91 3HG2 ILE 91 3.177 -10.808 3.058 715 HD11 ILE 91 1HD1 ILE 91 5.352 -11.149 1.342 716 HD12 ILE 91 2HD1 ILE 91 6.091 -12.662 1.873 717 HD13 ILE 91 3HD1 ILE 91 5.019 -11.775 2.963 718 H ALA 92 H ALA 92 -0.573 -13.665 -0.549 719 HA ALA 92 HA ALA 92 -2.080 -11.272 -0.803 720 HB1 ALA 92 1HB ALA 92 -3.963 -12.731 -1.442 721 HB2 ALA 92 2HB ALA 92 -3.084 -14.145 -0.843 722 HB3 ALA 92 3HB ALA 92 -2.469 -13.241 -2.229 723 H LYS 93 H LYS 93 -1.811 -13.618 1.704 724 HA LYS 93 HA LYS 93 -3.052 -11.845 3.639 725 HB2 LYS 93 2HB LYS 93 -4.305 -13.767 4.678 726 HB3 LYS 93 1HB LYS 93 -4.931 -13.278 3.112 727 HG2 LYS 93 2HG LYS 93 -3.735 -15.207 2.063 728 HG3 LYS 93 1HG LYS 93 -3.198 -15.710 3.668 729 HD2 LYS 93 2HD LYS 93 -5.581 -15.983 4.349 730 HD3 LYS 93 1HD LYS 93 -6.084 -15.533 2.716 731 HE2 LYS 93 2HE LYS 93 -4.461 -17.972 3.509 732 HE3 LYS 93 1HE LYS 93 -6.132 -17.954 2.945 733 HZ1 LYS 93 1HZ LYS 93 -4.676 -18.611 1.171 734 HZ2 LYS 93 2HZ LYS 93 -3.724 -17.229 1.359 735 HZ3 LYS 93 3HZ LYS 93 -5.311 -17.088 0.805 736 HA PRO 94 HA PRO 94 1.132 -13.252 5.020 737 HB2 PRO 94 2HB PRO 94 1.126 -11.548 7.289 738 HB3 PRO 94 1HB PRO 94 1.809 -11.165 5.699 739 HG2 PRO 94 2HG PRO 94 -0.815 -10.363 6.864 740 HG3 PRO 94 1HG PRO 94 0.252 -9.481 5.747 741 HD2 PRO 94 2HD PRO 94 -2.036 -10.672 4.900 742 HD3 PRO 94 1HD PRO 94 -0.594 -10.557 3.866 743 H SER 95 H SER 95 0.612 -15.315 5.590 744 HA SER 95 HA SER 95 -1.223 -16.078 7.624 745 HB2 SER 95 2HB SER 95 0.863 -17.731 6.144 746 HB3 SER 95 1HB SER 95 -0.524 -18.372 7.034 747 HG SER 95 HG SER 95 -0.871 -16.496 4.943 748 H GLU 96 H GLU 96 1.939 -15.053 7.868 749 HA GLU 96 HA GLU 96 2.911 -16.428 10.159 750 HB2 GLU 96 2HB GLU 96 4.323 -15.225 8.549 751 HB3 GLU 96 1HB GLU 96 3.524 -13.707 8.936 752 HG2 GLU 96 2HG GLU 96 4.493 -13.754 11.188 753 HG3 GLU 96 1HG GLU 96 5.256 -15.308 10.842 754 H THR 97 H THR 97 1.442 -13.171 9.755 755 HA THR 97 HA THR 97 1.032 -12.855 12.630 756 HB THR 97 HB THR 97 1.811 -10.916 11.293 757 HG1 THR 97 HG1 THR 97 -0.552 -10.852 12.800 758 HG21 THR 97 1HG2 THR 97 0.296 -9.713 9.775 759 HG22 THR 97 2HG2 THR 97 -0.935 -10.958 9.987 760 HG23 THR 97 3HG2 THR 97 0.585 -11.350 9.178 761 H LEU 98 H LEU 98 -0.751 -13.947 9.901 762 HA LEU 98 HA LEU 98 -3.379 -13.619 11.173 763 HB2 LEU 98 2HB LEU 98 -3.141 -13.034 8.781 764 HB3 LEU 98 1HB LEU 98 -2.573 -14.657 8.427 765 HG LEU 98 HG LEU 98 -4.831 -15.552 9.087 766 HD11 LEU 98 1HD1 LEU 98 -6.743 -14.023 9.305 767 HD12 LEU 98 2HD1 LEU 98 -5.648 -12.638 9.259 768 HD13 LEU 98 3HD1 LEU 98 -5.567 -13.786 10.598 769 HD21 LEU 98 1HD2 LEU 98 -5.988 -14.840 7.039 770 HD22 LEU 98 2HD2 LEU 98 -4.283 -15.159 6.734 771 HD23 LEU 98 3HD2 LEU 98 -4.859 -13.495 6.858 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 11.606 -5.676 -8.246 2 H2 ALA 1 2H ALA 1 12.337 -5.421 -6.756 3 H3 ALA 1 3H ALA 1 12.805 -6.732 -7.708 4 HA ALA 1 HA ALA 1 14.442 -5.007 -7.811 5 HB1 ALA 1 1HB ALA 1 12.872 -5.308 -10.395 6 HB2 ALA 1 2HB ALA 1 14.097 -6.427 -9.790 7 HB3 ALA 1 3HB ALA 1 14.558 -4.791 -10.269 8 H GLU 2 H GLU 2 13.817 -3.206 -6.487 9 HA GLU 2 HA GLU 2 12.291 -1.019 -7.549 10 HB2 GLU 2 2HB GLU 2 14.275 -1.180 -5.244 11 HB3 GLU 2 1HB GLU 2 13.443 0.307 -5.695 12 HG2 GLU 2 2HG GLU 2 11.257 -0.940 -5.335 13 HG3 GLU 2 1HG GLU 2 12.215 -2.249 -4.634 14 H GLN 3 H GLN 3 13.109 -0.727 -9.620 15 HA GLN 3 HA GLN 3 15.902 -0.148 -10.142 16 HB2 GLN 3 2HB GLN 3 13.442 0.047 -11.937 17 HB3 GLN 3 1HB GLN 3 15.106 0.215 -12.485 18 HG2 GLN 3 2HG GLN 3 13.884 -2.291 -11.289 19 HG3 GLN 3 1HG GLN 3 14.197 -2.007 -13.000 20 HE21 GLN 3 1HE2 GLN 3 16.386 -1.926 -13.716 21 HE22 GLN 3 2HE2 GLN 3 17.653 -2.669 -12.802 22 H SER 4 H SER 4 16.809 1.848 -10.516 23 HA SER 4 HA SER 4 15.267 4.256 -9.817 24 HB2 SER 4 2HB SER 4 17.565 5.313 -9.656 25 HB3 SER 4 1HB SER 4 17.323 3.949 -8.563 26 HG SER 4 HG SER 4 19.302 4.192 -10.138 27 H ASP 5 H ASP 5 17.619 3.219 -12.319 28 HA ASP 5 HA ASP 5 17.273 5.409 -14.073 29 HB2 ASP 5 2HB ASP 5 18.199 2.572 -14.744 30 HB3 ASP 5 1HB ASP 5 18.402 3.978 -15.784 31 H LYS 6 H LYS 6 15.821 2.165 -14.039 32 HA LYS 6 HA LYS 6 13.906 2.786 -16.135 33 HB2 LYS 6 2HB LYS 6 14.798 0.482 -15.905 34 HB3 LYS 6 1HB LYS 6 14.136 0.368 -14.283 35 HG2 LYS 6 2HG LYS 6 12.784 -0.860 -15.950 36 HG3 LYS 6 1HG LYS 6 11.856 0.418 -15.155 37 HD2 LYS 6 2HD LYS 6 12.030 1.850 -17.098 38 HD3 LYS 6 1HD LYS 6 13.189 0.766 -17.873 39 HE2 LYS 6 2HE LYS 6 10.308 0.028 -17.254 40 HE3 LYS 6 1HE LYS 6 10.875 0.626 -18.815 41 HZ1 LYS 6 1HZ LYS 6 11.735 -1.881 -17.474 42 HZ2 LYS 6 2HZ LYS 6 12.379 -1.298 -18.924 43 HZ3 LYS 6 3HZ LYS 6 10.757 -1.753 -18.845 44 H ASP 7 H ASP 7 11.970 3.660 -15.795 45 HA ASP 7 HA ASP 7 11.268 4.917 -13.395 46 HB2 ASP 7 2HB ASP 7 10.584 5.745 -15.604 47 HB3 ASP 7 1HB ASP 7 9.580 4.323 -15.860 48 H VAL 8 H VAL 8 10.121 1.894 -14.850 49 HA VAL 8 HA VAL 8 8.010 1.421 -12.978 50 HB VAL 8 HB VAL 8 9.351 -0.600 -14.838 51 HG11 VAL 8 1HG1 VAL 8 8.009 -1.679 -13.080 52 HG12 VAL 8 2HG1 VAL 8 7.216 -1.856 -14.645 53 HG13 VAL 8 3HG1 VAL 8 6.623 -0.665 -13.487 54 HG21 VAL 8 1HG2 VAL 8 6.927 1.163 -15.380 55 HG22 VAL 8 2HG2 VAL 8 7.524 -0.110 -16.447 56 HG23 VAL 8 3HG2 VAL 8 8.515 1.318 -16.139 57 H LYS 9 H LYS 9 8.245 0.744 -10.943 58 HA LYS 9 HA LYS 9 10.713 -0.628 -10.050 59 HB2 LYS 9 2HB LYS 9 8.680 0.913 -8.381 60 HB3 LYS 9 1HB LYS 9 10.184 0.196 -7.805 61 HG2 LYS 9 2HG LYS 9 11.450 1.796 -9.275 62 HG3 LYS 9 1HG LYS 9 9.909 2.558 -9.699 63 HD2 LYS 9 2HD LYS 9 11.007 3.828 -7.894 64 HD3 LYS 9 1HD LYS 9 9.517 3.093 -7.295 65 HE2 LYS 9 2HE LYS 9 10.903 1.224 -6.332 66 HE3 LYS 9 1HE LYS 9 12.353 2.095 -6.833 67 HZ1 LYS 9 1HZ LYS 9 11.865 2.481 -4.532 68 HZ2 LYS 9 2HZ LYS 9 10.315 3.046 -4.901 69 HZ3 LYS 9 3HZ LYS 9 11.674 3.921 -5.397 70 H TYR 10 H TYR 10 10.352 -2.783 -9.972 71 HA TYR 10 HA TYR 10 7.821 -3.961 -9.191 72 HB2 TYR 10 2HB TYR 10 10.573 -5.156 -9.742 73 HB3 TYR 10 1HB TYR 10 9.203 -6.124 -9.221 74 HD1 TYR 10 HD1 TYR 10 10.018 -3.604 -11.923 75 HD2 TYR 10 HD2 TYR 10 7.999 -7.238 -10.885 76 HE1 TYR 10 HE1 TYR 10 9.354 -3.914 -14.270 77 HE2 TYR 10 HE2 TYR 10 7.330 -7.537 -13.226 78 HH TYR 10 HH TYR 10 7.001 -6.175 -15.235 79 H TYR 11 H TYR 11 7.355 -3.337 -7.056 80 HA TYR 11 HA TYR 11 9.210 -3.926 -4.881 81 HB2 TYR 11 2HB TYR 11 6.314 -3.008 -5.026 82 HB3 TYR 11 1HB TYR 11 6.979 -3.580 -3.501 83 HD1 TYR 11 HD1 TYR 11 7.659 -1.045 -6.217 84 HD2 TYR 11 HD2 TYR 11 8.083 -2.073 -2.085 85 HE1 TYR 11 HE1 TYR 11 8.607 1.178 -5.751 86 HE2 TYR 11 HE2 TYR 11 9.029 0.137 -1.630 87 HH TYR 11 HH TYR 11 10.119 1.926 -2.736 88 H THR 12 H THR 12 8.888 -5.646 -3.346 89 HA THR 12 HA THR 12 7.180 -7.894 -4.321 90 HB THR 12 HB THR 12 8.692 -9.449 -3.160 91 HG1 THR 12 HG1 THR 12 10.178 -8.797 -1.829 92 HG21 THR 12 1HG2 THR 12 10.702 -9.243 -4.591 93 HG22 THR 12 2HG2 THR 12 10.220 -7.600 -5.020 94 HG23 THR 12 3HG2 THR 12 9.218 -8.969 -5.509 95 H LEU 13 H LEU 13 5.835 -8.853 -2.820 96 HA LEU 13 HA LEU 13 4.897 -7.127 -0.739 97 HB2 LEU 13 2HB LEU 13 3.514 -8.645 -2.310 98 HB3 LEU 13 1HB LEU 13 3.944 -9.968 -1.238 99 HG LEU 13 HG LEU 13 2.731 -8.921 0.623 100 HD11 LEU 13 1HD1 LEU 13 3.217 -6.564 0.171 101 HD12 LEU 13 2HD1 LEU 13 1.483 -6.815 0.345 102 HD13 LEU 13 3HD1 LEU 13 2.182 -6.600 -1.264 103 HD21 LEU 13 1HD2 LEU 13 1.437 -10.313 -0.946 104 HD22 LEU 13 2HD2 LEU 13 1.055 -8.883 -1.908 105 HD23 LEU 13 3HD2 LEU 13 0.445 -9.026 -0.256 106 H GLU 14 H GLU 14 7.047 -9.811 -0.886 107 HA GLU 14 HA GLU 14 7.111 -10.513 1.879 108 HB2 GLU 14 2HB GLU 14 7.898 -11.923 -0.045 109 HB3 GLU 14 1HB GLU 14 9.265 -10.839 -0.253 110 HG2 GLU 14 2HG GLU 14 10.229 -11.520 1.837 111 HG3 GLU 14 1HG GLU 14 8.752 -12.357 2.318 112 H GLU 15 H GLU 15 8.716 -8.072 -0.094 113 HA GLU 15 HA GLU 15 10.545 -7.125 1.898 114 HB2 GLU 15 2HB GLU 15 10.839 -6.646 -0.528 115 HB3 GLU 15 1HB GLU 15 9.362 -5.692 -0.525 116 HG2 GLU 15 2HG GLU 15 11.228 -4.184 -0.493 117 HG3 GLU 15 1HG GLU 15 10.445 -4.109 1.083 118 H ILE 16 H ILE 16 7.290 -6.210 0.826 119 HA ILE 16 HA ILE 16 7.072 -3.981 2.657 120 HB ILE 16 HB ILE 16 4.734 -5.153 1.094 121 HG12 ILE 16 2HG1 ILE 16 6.740 -3.127 -0.025 122 HG13 ILE 16 1HG1 ILE 16 6.686 -4.823 -0.485 123 HG21 ILE 16 1HG2 ILE 16 5.386 -2.308 1.974 124 HG22 ILE 16 2HG2 ILE 16 4.232 -3.389 2.756 125 HG23 ILE 16 3HG2 ILE 16 3.925 -2.812 1.119 126 HD11 ILE 16 1HD1 ILE 16 4.491 -2.805 -0.931 127 HD12 ILE 16 2HD1 ILE 16 4.424 -4.515 -1.369 128 HD13 ILE 16 3HD1 ILE 16 5.596 -3.452 -2.143 129 H GLN 17 H GLN 17 6.433 -7.376 2.815 130 HA GLN 17 HA GLN 17 4.517 -7.614 4.853 131 HB2 GLN 17 2HB GLN 17 5.585 -9.490 3.505 132 HB3 GLN 17 1HB GLN 17 7.027 -9.336 4.486 133 HG2 GLN 17 2HG GLN 17 4.334 -10.014 5.705 134 HG3 GLN 17 1HG GLN 17 5.358 -11.251 4.996 135 HE21 GLN 17 1HE2 GLN 17 4.897 -9.154 7.729 136 HE22 GLN 17 2HE2 GLN 17 6.157 -9.822 8.704 137 H LYS 18 H LYS 18 7.942 -6.853 4.927 138 HA LYS 18 HA LYS 18 8.081 -6.227 7.748 139 HB2 LYS 18 2HB LYS 18 9.915 -5.486 5.420 140 HB3 LYS 18 1HB LYS 18 10.300 -5.303 7.128 141 HG2 LYS 18 2HG LYS 18 10.316 -7.707 7.451 142 HG3 LYS 18 1HG LYS 18 9.716 -7.972 5.815 143 HD2 LYS 18 2HD LYS 18 12.081 -8.472 5.864 144 HD3 LYS 18 1HD LYS 18 11.841 -7.011 4.909 145 HE2 LYS 18 2HE LYS 18 12.658 -6.924 7.830 146 HE3 LYS 18 1HE LYS 18 13.831 -7.048 6.524 147 HZ1 LYS 18 1HZ LYS 18 11.939 -4.815 7.003 148 HZ2 LYS 18 2HZ LYS 18 12.907 -4.958 5.628 149 HZ3 LYS 18 3HZ LYS 18 13.620 -4.793 7.145 150 H HIS 19 H HIS 19 6.187 -4.881 7.868 151 HA HIS 19 HA HIS 19 6.462 -2.122 6.789 152 HB2 HIS 19 2HB HIS 19 3.924 -2.060 6.715 153 HB3 HIS 19 1HB HIS 19 4.653 -3.163 5.559 154 HD1 HIS 19 HD1 HIS 19 3.981 -5.591 5.692 155 HD2 HIS 19 HD2 HIS 19 2.550 -3.396 8.902 156 HE1 HIS 19 HE1 HIS 19 2.404 -7.114 6.900 157 HE2 HIS 19 HE2 HIS 19 1.349 -5.658 8.655 158 H LYS 20 H LYS 20 7.638 -2.674 9.103 159 HA LYS 20 HA LYS 20 5.914 -2.024 11.371 160 HB2 LYS 20 2HB LYS 20 8.916 -2.514 11.117 161 HB3 LYS 20 1HB LYS 20 8.181 -1.969 12.619 162 HG2 LYS 20 2HG LYS 20 8.532 -4.362 12.724 163 HG3 LYS 20 1HG LYS 20 6.800 -4.031 12.690 164 HD2 LYS 20 2HD LYS 20 6.749 -4.624 10.274 165 HD3 LYS 20 1HD LYS 20 8.484 -4.962 10.324 166 HE2 LYS 20 2HE LYS 20 7.134 -7.030 10.455 167 HE3 LYS 20 1HE LYS 20 8.101 -6.798 11.913 168 HZ1 LYS 20 1HZ LYS 20 5.877 -7.495 12.475 169 HZ2 LYS 20 2HZ LYS 20 5.204 -6.201 11.621 170 HZ3 LYS 20 3HZ LYS 20 6.117 -5.911 13.007 171 H ASP 21 H ASP 21 8.172 -0.427 9.217 172 HA ASP 21 HA ASP 21 8.263 2.086 10.703 173 HB2 ASP 21 2HB ASP 21 9.416 1.240 7.993 174 HB3 ASP 21 1HB ASP 21 9.624 2.851 8.676 175 H SER 22 H SER 22 7.253 3.956 10.089 176 HA SER 22 HA SER 22 4.879 3.970 8.539 177 HB2 SER 22 2HB SER 22 6.589 6.356 9.391 178 HB3 SER 22 1HB SER 22 4.899 6.415 8.877 179 HG SER 22 HG SER 22 4.720 4.773 10.741 180 H LYS 23 H LYS 23 8.244 4.371 7.709 181 HA LYS 23 HA LYS 23 7.676 5.619 5.123 182 HB2 LYS 23 2HB LYS 23 10.144 5.763 4.873 183 HB3 LYS 23 1HB LYS 23 9.541 6.542 6.323 184 HG2 LYS 23 2HG LYS 23 11.449 5.505 7.133 185 HG3 LYS 23 1HG LYS 23 10.214 4.311 7.522 186 HD2 LYS 23 2HD LYS 23 12.259 3.256 6.604 187 HD3 LYS 23 1HD LYS 23 10.863 2.957 5.566 188 HE2 LYS 23 2HE LYS 23 11.624 4.639 3.975 189 HE3 LYS 23 1HE LYS 23 12.921 5.144 5.061 190 HZ1 LYS 23 1HZ LYS 23 13.674 3.689 3.261 191 HZ2 LYS 23 2HZ LYS 23 12.708 2.443 3.850 192 HZ3 LYS 23 3HZ LYS 23 13.985 3.036 4.782 193 H SER 24 H SER 24 8.119 2.467 6.390 194 HA SER 24 HA SER 24 8.590 1.287 3.723 195 HB2 SER 24 2HB SER 24 10.010 0.542 5.682 196 HB3 SER 24 1HB SER 24 8.556 -0.091 6.449 197 HG SER 24 HG SER 24 8.328 -1.536 4.720 198 H THR 25 H THR 25 6.133 2.613 4.339 199 HA THR 25 HA THR 25 4.125 0.480 4.681 200 HB THR 25 HB THR 25 3.746 3.506 4.819 201 HG1 THR 25 HG1 THR 25 4.945 1.945 6.542 202 HG21 THR 25 1HG2 THR 25 1.655 2.259 4.291 203 HG22 THR 25 2HG2 THR 25 1.591 2.965 5.906 204 HG23 THR 25 3HG2 THR 25 1.908 1.241 5.713 205 H TRP 26 H TRP 26 3.801 -0.344 2.688 206 HA TRP 26 HA TRP 26 2.658 1.415 0.608 207 HB2 TRP 26 2HB TRP 26 4.487 -0.974 0.012 208 HB3 TRP 26 1HB TRP 26 3.753 0.108 -1.170 209 HD1 TRP 26 HD TRP 26 4.692 2.783 -0.999 210 HE1 TRP 26 HE1 TRP 26 7.086 3.587 -0.549 211 HE3 TRP 26 HE3 TRP 26 6.626 -1.466 1.116 212 HZ2 TRP 26 HZ2 TRP 26 9.475 2.588 0.540 213 HZ3 TRP 26 HZ3 TRP 26 8.983 -1.458 1.829 214 HH2 TRP 26 HH TRP 26 10.376 0.533 1.546 215 H VAL 27 H VAL 27 0.962 0.376 -0.564 216 HA VAL 27 HA VAL 27 -0.018 -2.187 0.586 217 HB VAL 27 HB VAL 27 -2.334 -1.348 0.365 218 HG11 VAL 27 1HG1 VAL 27 -0.625 0.336 2.211 219 HG12 VAL 27 2HG1 VAL 27 -1.319 -1.248 2.558 220 HG13 VAL 27 3HG1 VAL 27 -2.377 0.145 2.332 221 HG21 VAL 27 1HG2 VAL 27 -2.018 0.344 -1.383 222 HG22 VAL 27 2HG2 VAL 27 -1.089 1.355 -0.274 223 HG23 VAL 27 3HG2 VAL 27 -2.805 1.063 0.023 224 H ILE 28 H ILE 28 -1.262 -3.506 -0.823 225 HA ILE 28 HA ILE 28 -0.926 -2.901 -3.705 226 HB ILE 28 HB ILE 28 -0.274 -5.153 -4.177 227 HG12 ILE 28 2HG1 ILE 28 0.116 -6.717 -1.924 228 HG13 ILE 28 1HG1 ILE 28 -1.336 -5.855 -1.442 229 HG21 ILE 28 1HG2 ILE 28 1.805 -5.375 -2.796 230 HG22 ILE 28 2HG2 ILE 28 1.184 -4.144 -1.705 231 HG23 ILE 28 3HG2 ILE 28 1.532 -3.738 -3.388 232 HD11 ILE 28 1HD1 ILE 28 -1.043 -7.544 -3.928 233 HD12 ILE 28 2HD1 ILE 28 -2.518 -6.738 -3.385 234 HD13 ILE 28 3HD1 ILE 28 -1.814 -8.036 -2.422 235 H LEU 29 H LEU 29 -2.747 -2.827 -4.799 236 HA LEU 29 HA LEU 29 -5.264 -3.341 -3.517 237 HB2 LEU 29 2HB LEU 29 -4.425 -2.170 -6.157 238 HB3 LEU 29 1HB LEU 29 -6.070 -2.752 -6.019 239 HG LEU 29 HG LEU 29 -5.922 -0.318 -5.615 240 HD11 LEU 29 1HD1 LEU 29 -7.739 -1.563 -4.565 241 HD12 LEU 29 2HD1 LEU 29 -7.233 -0.209 -3.557 242 HD13 LEU 29 3HD1 LEU 29 -6.742 -1.853 -3.135 243 HD21 LEU 29 1HD2 LEU 29 -3.660 -0.236 -4.623 244 HD22 LEU 29 2HD2 LEU 29 -4.280 -0.967 -3.150 245 HD23 LEU 29 3HD2 LEU 29 -4.843 0.629 -3.648 246 H HIS 30 H HIS 30 -3.284 -5.032 -5.860 247 HA HIS 30 HA HIS 30 -4.445 -7.521 -5.340 248 HB2 HIS 30 2HB HIS 30 -6.344 -6.637 -6.703 249 HB3 HIS 30 1HB HIS 30 -5.256 -6.411 -8.067 250 HD1 HIS 30 HD1 HIS 30 -5.223 -9.525 -5.919 251 HD2 HIS 30 HD2 HIS 30 -6.520 -8.294 -9.673 252 HE1 HIS 30 HE1 HIS 30 -5.823 -11.624 -7.153 253 HE2 HIS 30 HE2 HIS 30 -6.805 -10.829 -9.326 254 H HIS 31 H HIS 31 -2.935 -5.802 -8.117 255 HA HIS 31 HA HIS 31 -0.707 -7.790 -8.132 256 HB2 HIS 31 2HB HIS 31 -2.268 -6.621 -10.457 257 HB3 HIS 31 1HB HIS 31 -0.592 -7.088 -10.696 258 HD1 HIS 31 HD1 HIS 31 -0.660 -9.164 -11.984 259 HD2 HIS 31 HD2 HIS 31 -3.513 -9.197 -8.981 260 HE1 HIS 31 HE1 HIS 31 -1.695 -11.433 -12.080 261 HE2 HIS 31 HE2 HIS 31 -3.573 -11.334 -10.419 262 H LYS 32 H LYS 32 -1.502 -4.533 -7.678 263 HA LYS 32 HA LYS 32 1.142 -3.573 -8.626 264 HB2 LYS 32 2HB LYS 32 -0.767 -3.028 -10.179 265 HB3 LYS 32 1HB LYS 32 -1.507 -2.089 -8.889 266 HG2 LYS 32 2HG LYS 32 0.299 -0.480 -8.925 267 HG3 LYS 32 1HG LYS 32 1.250 -1.484 -10.022 268 HD2 LYS 32 2HD LYS 32 -1.404 -0.147 -10.695 269 HD3 LYS 32 1HD LYS 32 0.185 0.415 -11.208 270 HE2 LYS 32 2HE LYS 32 0.502 -1.675 -12.495 271 HE3 LYS 32 1HE LYS 32 -1.095 -2.229 -11.985 272 HZ1 LYS 32 1HZ LYS 32 -1.232 -1.301 -14.162 273 HZ2 LYS 32 2HZ LYS 32 -0.492 0.136 -13.669 274 HZ3 LYS 32 3HZ LYS 32 -2.033 -0.259 -13.094 275 H VAL 33 H VAL 33 2.037 -1.814 -7.432 276 HA VAL 33 HA VAL 33 1.071 -1.711 -4.635 277 HB VAL 33 HB VAL 33 3.281 -2.866 -4.975 278 HG11 VAL 33 1HG1 VAL 33 4.319 -0.152 -5.852 279 HG12 VAL 33 2HG1 VAL 33 4.152 -1.580 -6.871 280 HG13 VAL 33 3HG1 VAL 33 5.299 -1.584 -5.533 281 HG21 VAL 33 1HG2 VAL 33 2.764 -1.840 -2.815 282 HG22 VAL 33 2HG2 VAL 33 3.427 -0.298 -3.361 283 HG23 VAL 33 3HG2 VAL 33 4.488 -1.696 -3.166 284 H TYR 34 H TYR 34 1.002 0.259 -3.584 285 HA TYR 34 HA TYR 34 1.479 2.728 -5.120 286 HB2 TYR 34 2HB TYR 34 -1.058 2.074 -3.543 287 HB3 TYR 34 1HB TYR 34 -0.691 3.642 -4.264 288 HD1 TYR 34 HD1 TYR 34 -1.929 0.266 -4.918 289 HD2 TYR 34 HD2 TYR 34 -0.569 3.860 -6.783 290 HE1 TYR 34 HE1 TYR 34 -2.907 -0.472 -7.042 291 HE2 TYR 34 HE2 TYR 34 -1.552 3.114 -8.905 292 HH TYR 34 HH TYR 34 -3.731 0.534 -9.116 293 H ASP 35 H ASP 35 2.052 4.491 -3.942 294 HA ASP 35 HA ASP 35 3.572 4.012 -1.594 295 HB2 ASP 35 2HB ASP 35 4.218 5.679 -3.330 296 HB3 ASP 35 1HB ASP 35 2.816 6.659 -2.915 297 H LEU 36 H LEU 36 2.734 3.806 0.378 298 HA LEU 36 HA LEU 36 0.219 5.189 1.074 299 HB2 LEU 36 2HB LEU 36 0.673 2.528 1.138 300 HB3 LEU 36 1HB LEU 36 1.290 2.910 2.729 301 HG LEU 36 HG LEU 36 -1.070 2.143 2.779 302 HD11 LEU 36 1HD1 LEU 36 -2.040 3.847 4.179 303 HD12 LEU 36 2HD1 LEU 36 -0.872 5.037 3.596 304 HD13 LEU 36 3HD1 LEU 36 -0.327 3.653 4.544 305 HD21 LEU 36 1HD2 LEU 36 -1.731 4.639 1.200 306 HD22 LEU 36 2HD2 LEU 36 -2.878 3.460 1.840 307 HD23 LEU 36 3HD2 LEU 36 -1.750 2.993 0.574 308 H THR 37 H THR 37 3.593 5.014 1.811 309 HA THR 37 HA THR 37 3.691 5.778 4.489 310 HB THR 37 HB THR 37 5.721 5.009 3.487 311 HG1 THR 37 HG1 THR 37 5.877 6.771 5.077 312 HG21 THR 37 1HG2 THR 37 5.640 7.393 1.626 313 HG22 THR 37 2HG2 THR 37 5.389 5.709 1.165 314 HG23 THR 37 3HG2 THR 37 6.967 6.235 1.758 315 H LYS 38 H LYS 38 3.232 7.823 1.616 316 HA LYS 38 HA LYS 38 3.246 10.277 3.224 317 HB2 LYS 38 2HB LYS 38 4.091 9.914 0.722 318 HB3 LYS 38 1HB LYS 38 2.410 10.192 0.315 319 HG2 LYS 38 2HG LYS 38 3.357 12.285 2.131 320 HG3 LYS 38 1HG LYS 38 4.443 12.135 0.755 321 HD2 LYS 38 2HD LYS 38 2.818 13.801 0.196 322 HD3 LYS 38 1HD LYS 38 2.436 12.370 -0.761 323 HE2 LYS 38 2HE LYS 38 0.635 11.795 0.829 324 HE3 LYS 38 1HE LYS 38 1.027 13.220 1.793 325 HZ1 LYS 38 1HZ LYS 38 -0.859 13.597 0.331 326 HZ2 LYS 38 2HZ LYS 38 0.085 13.249 -1.023 327 HZ3 LYS 38 3HZ LYS 38 0.431 14.611 -0.081 328 H PHE 39 H PHE 39 0.990 8.045 1.741 329 HA PHE 39 HA PHE 39 -1.355 9.604 1.656 330 HB2 PHE 39 2HB PHE 39 -0.943 7.449 0.426 331 HB3 PHE 39 1HB PHE 39 -1.102 6.575 1.939 332 HD1 PHE 39 HD1 PHE 39 -3.275 5.860 2.685 333 HD2 PHE 39 HD2 PHE 39 -2.978 8.758 -0.442 334 HE1 PHE 39 HE1 PHE 39 -5.684 5.639 2.239 335 HE2 PHE 39 HE2 PHE 39 -5.385 8.537 -0.875 336 HZ PHE 39 HZ PHE 39 -6.737 6.974 0.462 337 H LEU 40 H LEU 40 0.134 7.781 4.279 338 HA LEU 40 HA LEU 40 -2.124 7.867 6.047 339 HB2 LEU 40 2HB LEU 40 -0.562 7.018 7.772 340 HB3 LEU 40 1HB LEU 40 -0.586 6.077 6.302 341 HG LEU 40 HG LEU 40 1.629 7.350 5.689 342 HD11 LEU 40 1HD1 LEU 40 1.675 7.780 8.690 343 HD12 LEU 40 2HD1 LEU 40 1.580 9.040 7.457 344 HD13 LEU 40 3HD1 LEU 40 3.023 8.038 7.574 345 HD21 LEU 40 1HD2 LEU 40 1.648 5.271 7.904 346 HD22 LEU 40 2HD2 LEU 40 2.999 5.671 6.837 347 HD23 LEU 40 3HD2 LEU 40 1.539 4.945 6.170 348 H GLU 41 H GLU 41 0.510 10.017 5.344 349 HA GLU 41 HA GLU 41 0.433 11.615 7.704 350 HB2 GLU 41 2HB GLU 41 1.495 12.161 4.903 351 HB3 GLU 41 1HB GLU 41 1.698 13.285 6.242 352 HG2 GLU 41 2HG GLU 41 2.733 10.435 6.259 353 HG3 GLU 41 1HG GLU 41 3.690 11.831 5.769 354 H GLU 42 H GLU 42 -1.455 11.538 4.793 355 HA GLU 42 HA GLU 42 -2.663 14.101 4.879 356 HB2 GLU 42 2HB GLU 42 -3.554 11.438 3.700 357 HB3 GLU 42 1HB GLU 42 -4.372 12.961 3.390 358 HG2 GLU 42 2HG GLU 42 -2.255 13.872 2.434 359 HG3 GLU 42 1HG GLU 42 -1.498 12.298 2.681 360 H PHE 43 H PHE 43 -3.327 11.097 6.561 361 HA PHE 43 HA PHE 43 -5.781 12.149 7.792 362 HB2 PHE 43 2HB PHE 43 -4.382 9.520 8.459 363 HB3 PHE 43 1HB PHE 43 -6.073 9.944 8.721 364 HD1 PHE 43 HD1 PHE 43 -7.102 10.901 6.223 365 HD2 PHE 43 HD2 PHE 43 -4.214 7.804 6.888 366 HE1 PHE 43 HE1 PHE 43 -7.633 9.922 4.048 367 HE2 PHE 43 HE2 PHE 43 -4.763 6.849 4.689 368 HZ PHE 43 HZ PHE 43 -6.457 7.929 3.278 369 HA PRO 44 HA PRO 44 -3.291 13.989 11.148 370 HB2 PRO 44 2HB PRO 44 -5.845 13.752 12.734 371 HB3 PRO 44 1HB PRO 44 -4.840 15.185 12.419 372 HG2 PRO 44 2HG PRO 44 -7.161 14.889 11.170 373 HG3 PRO 44 1HG PRO 44 -5.758 15.541 10.297 374 HD2 PRO 44 2HD PRO 44 -6.919 12.756 10.195 375 HD3 PRO 44 1HD PRO 44 -6.306 13.772 8.866 376 H GLY 45 H GLY 45 -1.950 12.240 11.519 377 HA2 GLY 45 2HA GLY 45 -0.920 10.596 12.726 378 HA3 GLY 45 1HA GLY 45 -2.125 10.830 13.984 379 H GLY 46 H GLY 46 -2.789 9.918 10.623 380 HA2 GLY 46 2HA GLY 46 -4.285 7.562 11.530 381 HA3 GLY 46 1HA GLY 46 -4.335 8.308 9.941 382 H GLU 47 H GLU 47 -1.349 7.481 11.549 383 HA GLU 47 HA GLU 47 -0.468 5.778 9.431 384 HB2 GLU 47 2HB GLU 47 1.180 7.100 10.494 385 HB3 GLU 47 1HB GLU 47 0.666 6.648 12.106 386 HG2 GLU 47 2HG GLU 47 1.855 4.544 10.303 387 HG3 GLU 47 1HG GLU 47 2.923 5.707 11.080 388 H GLU 48 H GLU 48 -1.307 5.156 12.857 389 HA GLU 48 HA GLU 48 -0.625 2.442 12.864 390 HB2 GLU 48 2HB GLU 48 -2.237 2.402 14.972 391 HB3 GLU 48 1HB GLU 48 -0.729 3.294 14.999 392 HG2 GLU 48 2HG GLU 48 -2.557 4.541 16.064 393 HG3 GLU 48 1HG GLU 48 -1.891 5.391 14.678 394 H VAL 49 H VAL 49 -3.573 3.847 11.679 395 HA VAL 49 HA VAL 49 -5.271 1.568 12.073 396 HB VAL 49 HB VAL 49 -6.099 3.927 11.978 397 HG11 VAL 49 1HG1 VAL 49 -5.614 3.786 8.990 398 HG12 VAL 49 2HG1 VAL 49 -4.731 4.793 10.139 399 HG13 VAL 49 3HG1 VAL 49 -6.448 5.086 9.850 400 HG21 VAL 49 1HG2 VAL 49 -7.673 2.059 11.701 401 HG22 VAL 49 2HG2 VAL 49 -7.421 2.089 9.954 402 HG23 VAL 49 3HG2 VAL 49 -8.188 3.462 10.759 403 H LEU 50 H LEU 50 -3.116 2.547 9.494 404 HA LEU 50 HA LEU 50 -4.226 0.498 7.638 405 HB2 LEU 50 2HB LEU 50 -3.188 2.082 5.824 406 HB3 LEU 50 1HB LEU 50 -4.719 2.511 6.564 407 HG LEU 50 HG LEU 50 -3.464 4.083 8.113 408 HD11 LEU 50 1HD1 LEU 50 -1.233 3.136 7.973 409 HD12 LEU 50 2HD1 LEU 50 -1.226 4.827 7.520 410 HD13 LEU 50 3HD1 LEU 50 -1.117 3.586 6.276 411 HD21 LEU 50 1HD2 LEU 50 -3.275 4.683 5.152 412 HD22 LEU 50 2HD2 LEU 50 -3.186 5.872 6.455 413 HD23 LEU 50 3HD2 LEU 50 -4.670 4.958 6.198 414 H ARG 51 H ARG 51 -1.444 1.625 9.298 415 HA ARG 51 HA ARG 51 0.591 0.770 7.464 416 HB2 ARG 51 2HB ARG 51 0.680 2.672 9.183 417 HB3 ARG 51 1HB ARG 51 0.876 1.458 10.430 418 HG2 ARG 51 2HG ARG 51 2.827 1.733 8.126 419 HG3 ARG 51 1HG ARG 51 2.964 2.719 9.578 420 HD2 ARG 51 2HD ARG 51 3.141 -0.299 9.405 421 HD3 ARG 51 1HD ARG 51 4.464 0.826 9.733 422 HE ARG 51 HE ARG 51 2.990 1.443 11.760 423 HH11 ARG 51 1HH1 ARG 51 3.337 -1.818 10.529 424 HH12 ARG 51 2HH1 ARG 51 3.030 -2.546 12.068 425 HH21 ARG 51 1HH2 ARG 51 2.534 0.470 13.738 426 HH22 ARG 51 2HH2 ARG 51 2.578 -1.259 13.874 427 H GLU 52 H GLU 52 -0.968 -0.571 10.317 428 HA GLU 52 HA GLU 52 0.508 -2.972 10.582 429 HB2 GLU 52 2HB GLU 52 -2.377 -2.287 11.306 430 HB3 GLU 52 1HB GLU 52 -1.549 -3.747 11.841 431 HG2 GLU 52 2HG GLU 52 -0.389 -1.028 12.474 432 HG3 GLU 52 1HG GLU 52 -1.711 -1.673 13.437 433 H GLN 53 H GLN 53 -2.236 -2.025 8.571 434 HA GLN 53 HA GLN 53 -2.697 -4.721 7.525 435 HB2 GLN 53 2HB GLN 53 -4.124 -2.099 6.938 436 HB3 GLN 53 1HB GLN 53 -4.624 -3.682 6.342 437 HG2 GLN 53 2HG GLN 53 -4.951 -4.418 8.719 438 HG3 GLN 53 1HG GLN 53 -4.567 -2.775 9.239 439 HE21 GLN 53 1HE2 GLN 53 -6.622 -2.520 10.182 440 HE22 GLN 53 2HE2 GLN 53 -8.044 -2.294 9.228 441 H ALA 54 H ALA 54 -0.746 -2.075 6.710 442 HA ALA 54 HA ALA 54 -0.614 -2.298 3.872 443 HB1 ALA 54 1HB ALA 54 1.566 -1.145 4.093 444 HB2 ALA 54 2HB ALA 54 1.538 -1.419 5.839 445 HB3 ALA 54 3HB ALA 54 0.333 -0.369 5.090 446 H GLY 55 H GLY 55 1.330 -3.255 2.693 447 HA2 GLY 55 2HA GLY 55 2.556 -5.106 2.083 448 HA3 GLY 55 1HA GLY 55 2.977 -5.264 3.776 449 H GLY 56 H GLY 56 -0.284 -5.397 2.605 450 HA2 GLY 56 2HA GLY 56 -0.475 -8.276 2.418 451 HA3 GLY 56 1HA GLY 56 -1.259 -7.580 3.839 452 H ASP 57 H ASP 57 -2.853 -5.839 3.474 453 HA ASP 57 HA ASP 57 -4.363 -6.344 0.975 454 HB2 ASP 57 2HB ASP 57 -5.546 -7.241 2.954 455 HB3 ASP 57 1HB ASP 57 -5.478 -5.665 3.729 456 H ALA 58 H ALA 58 -5.344 -4.747 -0.032 457 HA ALA 58 HA ALA 58 -5.576 -2.052 1.004 458 HB1 ALA 58 1HB ALA 58 -4.659 -0.983 -0.954 459 HB2 ALA 58 2HB ALA 58 -4.368 -2.541 -1.725 460 HB3 ALA 58 3HB ALA 58 -3.448 -2.082 -0.301 461 H THR 59 H THR 59 -6.602 -4.717 -0.828 462 HA THR 59 HA THR 59 -8.244 -3.718 -2.824 463 HB THR 59 HB THR 59 -9.031 -6.239 -1.302 464 HG1 THR 59 HG1 THR 59 -6.955 -6.713 -1.324 465 HG21 THR 59 1HG2 THR 59 -10.250 -5.652 -3.401 466 HG22 THR 59 2HG2 THR 59 -9.337 -7.153 -3.569 467 HG23 THR 59 3HG2 THR 59 -8.713 -5.662 -4.279 468 H GLU 60 H GLU 60 -8.862 -4.276 0.593 469 HA GLU 60 HA GLU 60 -11.456 -2.851 0.470 470 HB2 GLU 60 2HB GLU 60 -10.178 -4.445 2.743 471 HB3 GLU 60 1HB GLU 60 -11.800 -3.756 2.751 472 HG2 GLU 60 2HG GLU 60 -12.541 -5.298 1.030 473 HG3 GLU 60 1HG GLU 60 -10.896 -5.886 0.779 474 H ASN 61 H ASN 61 -8.261 -2.927 2.051 475 HA ASN 61 HA ASN 61 -8.738 -1.045 4.069 476 HB2 ASN 61 2HB ASN 61 -6.934 -2.714 4.187 477 HB3 ASN 61 1HB ASN 61 -6.076 -1.917 2.872 478 HD21 ASN 61 1HD2 ASN 61 -4.277 -1.168 3.871 479 HD22 ASN 61 2HD2 ASN 61 -4.259 -0.141 5.252 480 H PHE 62 H PHE 62 -7.074 -0.533 0.931 481 HA PHE 62 HA PHE 62 -5.962 1.977 1.396 482 HB2 PHE 62 2HB PHE 62 -5.366 0.537 -0.517 483 HB3 PHE 62 1HB PHE 62 -6.953 0.786 -1.231 484 HD1 PHE 62 HD1 PHE 62 -4.091 2.892 0.035 485 HD2 PHE 62 HD2 PHE 62 -7.000 2.281 -3.043 486 HE1 PHE 62 HE1 PHE 62 -3.166 4.796 -1.220 487 HE2 PHE 62 HE2 PHE 62 -6.070 4.184 -4.279 488 HZ PHE 62 HZ PHE 62 -4.155 5.441 -3.380 489 H GLU 63 H GLU 63 -9.231 1.143 0.405 490 HA GLU 63 HA GLU 63 -10.028 3.952 0.036 491 HB2 GLU 63 2HB GLU 63 -10.706 2.164 -1.615 492 HB3 GLU 63 1HB GLU 63 -11.674 1.422 -0.349 493 HG2 GLU 63 2HG GLU 63 -13.040 3.510 -0.216 494 HG3 GLU 63 1HG GLU 63 -12.090 4.186 -1.541 495 H ASP 64 H ASP 64 -10.169 1.358 2.369 496 HA ASP 64 HA ASP 64 -12.573 2.106 3.748 497 HB2 ASP 64 2HB ASP 64 -11.652 -0.195 3.838 498 HB3 ASP 64 1HB ASP 64 -10.211 0.387 4.660 499 H VAL 65 H VAL 65 -9.116 2.426 4.591 500 HA VAL 65 HA VAL 65 -9.539 4.366 6.691 501 HB VAL 65 HB VAL 65 -7.069 4.611 6.695 502 HG11 VAL 65 1HG1 VAL 65 -7.941 1.702 6.524 503 HG12 VAL 65 2HG1 VAL 65 -8.094 2.750 7.939 504 HG13 VAL 65 3HG1 VAL 65 -6.495 2.315 7.337 505 HG21 VAL 65 1HG2 VAL 65 -7.088 2.767 4.266 506 HG22 VAL 65 2HG2 VAL 65 -5.648 3.276 5.148 507 HG23 VAL 65 3HG2 VAL 65 -6.615 4.467 4.279 508 H GLY 66 H GLY 66 -9.023 4.492 3.248 509 HA2 GLY 66 2HA GLY 66 -8.043 7.168 3.040 510 HA3 GLY 66 1HA GLY 66 -8.657 6.164 1.739 511 H PHE 67 H PHE 67 -9.149 8.983 2.098 512 HA PHE 67 HA PHE 67 -11.845 9.435 2.870 513 HB2 PHE 67 2HB PHE 67 -10.374 10.871 0.619 514 HB3 PHE 67 1HB PHE 67 -11.725 11.479 1.555 515 HD1 PHE 67 HD1 PHE 67 -11.264 11.763 4.169 516 HD2 PHE 67 HD2 PHE 67 -8.196 11.560 1.188 517 HE1 PHE 67 HE1 PHE 67 -9.711 12.943 5.665 518 HE2 PHE 67 HE2 PHE 67 -6.652 12.730 2.698 519 HZ PHE 67 HZ PHE 67 -7.410 13.427 4.936 520 H SER 68 H SER 68 -13.765 9.176 1.669 521 HA SER 68 HA SER 68 -13.988 6.892 0.129 522 HB2 SER 68 2HB SER 68 -15.947 9.218 0.272 523 HB3 SER 68 1HB SER 68 -16.342 7.569 -0.226 524 HG SER 68 HG SER 68 -15.587 6.928 1.900 525 H THR 69 H THR 69 -13.711 10.232 -1.019 526 HA THR 69 HA THR 69 -13.954 9.446 -3.829 527 HB THR 69 HB THR 69 -13.477 12.233 -2.654 528 HG1 THR 69 HG1 THR 69 -15.483 11.212 -1.967 529 HG21 THR 69 1HG2 THR 69 -12.917 12.056 -5.072 530 HG22 THR 69 2HG2 THR 69 -14.367 13.032 -4.832 531 HG23 THR 69 3HG2 THR 69 -14.511 11.365 -5.392 532 H ASP 70 H ASP 70 -11.582 10.932 -1.592 533 HA ASP 70 HA ASP 70 -9.660 11.574 -3.548 534 HB2 ASP 70 2HB ASP 70 -9.262 11.218 -0.555 535 HB3 ASP 70 1HB ASP 70 -8.083 11.946 -1.647 536 H ALA 71 H ALA 71 -9.791 8.765 -1.322 537 HA ALA 71 HA ALA 71 -7.328 7.591 -1.788 538 HB1 ALA 71 1HB ALA 71 -8.355 5.462 -1.086 539 HB2 ALA 71 2HB ALA 71 -9.965 6.146 -1.345 540 HB3 ALA 71 3HB ALA 71 -8.920 6.800 -0.085 541 H ARG 72 H ARG 72 -10.225 7.422 -3.757 542 HA ARG 72 HA ARG 72 -9.475 5.210 -5.399 543 HB2 ARG 72 2HB ARG 72 -11.581 7.335 -5.965 544 HB3 ARG 72 1HB ARG 72 -11.495 5.718 -6.663 545 HG2 ARG 72 2HG ARG 72 -11.868 4.763 -4.365 546 HG3 ARG 72 1HG ARG 72 -12.073 6.411 -3.760 547 HD2 ARG 72 2HD ARG 72 -14.253 5.407 -4.141 548 HD3 ARG 72 1HD ARG 72 -13.998 6.708 -5.310 549 HE ARG 72 HE ARG 72 -13.481 3.891 -6.044 550 HH11 ARG 72 1HH1 ARG 72 -15.286 6.865 -6.626 551 HH12 ARG 72 2HH1 ARG 72 -15.991 6.280 -8.101 552 HH21 ARG 72 1HH2 ARG 72 -14.441 3.133 -7.933 553 HH22 ARG 72 2HH2 ARG 72 -15.508 4.161 -8.840 554 H GLU 73 H GLU 73 -9.561 8.741 -5.935 555 HA GLU 73 HA GLU 73 -8.443 8.627 -8.598 556 HB2 GLU 73 2HB GLU 73 -8.431 11.125 -8.437 557 HB3 GLU 73 1HB GLU 73 -9.996 10.421 -8.034 558 HG2 GLU 73 2HG GLU 73 -9.434 10.660 -5.609 559 HG3 GLU 73 1HG GLU 73 -7.939 11.465 -6.072 560 H LEU 74 H LEU 74 -7.185 9.197 -5.362 561 HA LEU 74 HA LEU 74 -4.580 10.110 -6.047 562 HB2 LEU 74 2HB LEU 74 -5.919 9.218 -3.511 563 HB3 LEU 74 1HB LEU 74 -4.169 9.161 -3.525 564 HG LEU 74 HG LEU 74 -4.041 11.583 -3.945 565 HD11 LEU 74 1HD1 LEU 74 -6.078 11.895 -5.273 566 HD12 LEU 74 2HD1 LEU 74 -5.979 13.038 -3.940 567 HD13 LEU 74 3HD1 LEU 74 -7.059 11.647 -3.829 568 HD21 LEU 74 1HD2 LEU 74 -5.877 10.937 -1.616 569 HD22 LEU 74 2HD2 LEU 74 -4.873 12.383 -1.781 570 HD23 LEU 74 3HD2 LEU 74 -4.115 10.800 -1.619 571 H SER 75 H SER 75 -5.974 6.977 -6.172 572 HA SER 75 HA SER 75 -3.804 5.295 -5.658 573 HB2 SER 75 2HB SER 75 -6.139 4.521 -6.089 574 HB3 SER 75 1HB SER 75 -5.945 4.916 -7.798 575 HG SER 75 HG SER 75 -4.106 3.202 -6.531 576 H LYS 76 H LYS 76 -4.760 6.873 -8.732 577 HA LYS 76 HA LYS 76 -2.573 6.001 -10.311 578 HB2 LYS 76 2HB LYS 76 -4.834 6.999 -11.073 579 HB3 LYS 76 1HB LYS 76 -4.162 8.579 -10.723 580 HG2 LYS 76 2HG LYS 76 -2.924 6.656 -12.733 581 HG3 LYS 76 1HG LYS 76 -4.163 7.824 -13.172 582 HD2 LYS 76 2HD LYS 76 -1.385 8.473 -12.106 583 HD3 LYS 76 1HD LYS 76 -1.925 8.646 -13.774 584 HE2 LYS 76 2HE LYS 76 -3.501 10.398 -13.119 585 HE3 LYS 76 1HE LYS 76 -3.079 10.175 -11.420 586 HZ1 LYS 76 1HZ LYS 76 -1.936 12.067 -12.313 587 HZ2 LYS 76 2HZ LYS 76 -1.273 11.146 -13.563 588 HZ3 LYS 76 3HZ LYS 76 -0.808 10.861 -11.963 589 H LYS 77 H LYS 77 -2.947 8.601 -7.997 590 HA LYS 77 HA LYS 77 -0.796 10.287 -8.829 591 HB2 LYS 77 2HB LYS 77 -2.875 10.844 -7.334 592 HB3 LYS 77 1HB LYS 77 -1.955 10.178 -6.000 593 HG2 LYS 77 2HG LYS 77 -1.033 12.514 -7.706 594 HG3 LYS 77 1HG LYS 77 -1.936 12.692 -6.203 595 HD2 LYS 77 2HD LYS 77 -0.107 11.721 -4.923 596 HD3 LYS 77 1HD LYS 77 0.771 11.318 -6.400 597 HE2 LYS 77 2HE LYS 77 1.748 13.304 -5.399 598 HE3 LYS 77 1HE LYS 77 0.951 13.762 -6.906 599 HZ1 LYS 77 1HZ LYS 77 0.495 15.317 -5.108 600 HZ2 LYS 77 2HZ LYS 77 -0.195 14.083 -4.181 601 HZ3 LYS 77 3HZ LYS 77 -0.927 14.567 -5.625 602 H TYR 78 H TYR 78 -1.142 7.732 -6.370 603 HA TYR 78 HA TYR 78 1.679 7.916 -5.556 604 HB2 TYR 78 2HB TYR 78 -0.649 6.278 -4.460 605 HB3 TYR 78 1HB TYR 78 0.983 6.236 -3.803 606 HD1 TYR 78 HD1 TYR 78 1.994 8.473 -2.952 607 HD2 TYR 78 HD2 TYR 78 -2.178 7.898 -3.661 608 HE1 TYR 78 HE1 TYR 78 1.476 10.406 -1.521 609 HE2 TYR 78 HE2 TYR 78 -2.687 9.811 -2.244 610 HH TYR 78 HH TYR 78 -1.729 11.074 -0.500 611 H ILE 79 H ILE 79 1.107 6.913 -8.241 612 HA ILE 79 HA ILE 79 1.492 4.072 -8.217 613 HB ILE 79 HB ILE 79 0.451 5.101 -10.162 614 HG12 ILE 79 2HG1 ILE 79 1.746 4.002 -11.976 615 HG13 ILE 79 1HG1 ILE 79 3.162 3.933 -10.933 616 HG21 ILE 79 1HG2 ILE 79 1.631 6.543 -11.775 617 HG22 ILE 79 2HG2 ILE 79 3.051 6.561 -10.728 618 HG23 ILE 79 3HG2 ILE 79 1.547 7.301 -10.180 619 HD11 ILE 79 1HD1 ILE 79 0.551 2.518 -10.389 620 HD12 ILE 79 2HD1 ILE 79 2.047 2.374 -9.454 621 HD13 ILE 79 3HD1 ILE 79 1.980 1.789 -11.118 622 H ILE 80 H ILE 80 3.159 3.702 -6.815 623 HA ILE 80 HA ILE 80 5.799 4.904 -7.229 624 HB ILE 80 HB ILE 80 4.767 4.609 -4.923 625 HG12 ILE 80 2HG1 ILE 80 7.478 3.246 -5.279 626 HG13 ILE 80 1HG1 ILE 80 7.222 4.986 -5.269 627 HG21 ILE 80 1HG2 ILE 80 3.784 2.366 -5.223 628 HG22 ILE 80 2HG2 ILE 80 4.834 2.431 -3.807 629 HG23 ILE 80 3HG2 ILE 80 5.403 1.665 -5.292 630 HD11 ILE 80 1HD1 ILE 80 6.422 4.853 -2.959 631 HD12 ILE 80 2HD1 ILE 80 8.063 4.239 -3.142 632 HD13 ILE 80 3HD1 ILE 80 6.720 3.111 -2.962 633 H GLY 81 H GLY 81 4.044 2.109 -8.129 634 HA2 GLY 81 2HA GLY 81 5.627 1.213 -10.110 635 HA3 GLY 81 1HA GLY 81 6.330 0.411 -8.706 636 H GLU 82 H GLU 82 5.752 -1.572 -9.648 637 HA GLU 82 HA GLU 82 2.925 -2.334 -9.197 638 HB2 GLU 82 2HB GLU 82 3.243 -4.091 -10.931 639 HB3 GLU 82 1HB GLU 82 3.409 -2.466 -11.589 640 HG2 GLU 82 2HG GLU 82 5.836 -2.676 -11.647 641 HG3 GLU 82 1HG GLU 82 5.756 -4.245 -10.844 642 H LEU 83 H LEU 83 2.620 -4.154 -7.967 643 HA LEU 83 HA LEU 83 4.762 -5.192 -6.388 644 HB2 LEU 83 2HB LEU 83 2.268 -4.860 -5.733 645 HB3 LEU 83 1HB LEU 83 1.949 -6.350 -6.594 646 HG LEU 83 HG LEU 83 2.157 -6.535 -4.065 647 HD11 LEU 83 1HD1 LEU 83 2.382 -8.526 -5.455 648 HD12 LEU 83 2HD1 LEU 83 3.356 -8.612 -3.994 649 HD13 LEU 83 3HD1 LEU 83 4.124 -8.271 -5.547 650 HD21 LEU 83 1HD2 LEU 83 3.992 -4.933 -3.769 651 HD22 LEU 83 2HD2 LEU 83 5.109 -6.054 -4.554 652 HD23 LEU 83 3HD2 LEU 83 4.348 -6.487 -3.023 653 H HIS 84 H HIS 84 5.566 -7.315 -6.452 654 HA HIS 84 HA HIS 84 6.175 -8.365 -8.966 655 HB2 HIS 84 2HB HIS 84 7.487 -8.554 -6.757 656 HB3 HIS 84 1HB HIS 84 6.406 -9.877 -6.334 657 HD1 HIS 84 HD1 HIS 84 7.507 -12.057 -6.795 658 HD2 HIS 84 HD2 HIS 84 8.648 -9.141 -9.514 659 HE1 HIS 84 HE1 HIS 84 9.141 -13.174 -8.331 660 HE2 HIS 84 HE2 HIS 84 9.980 -11.315 -9.800 661 HA PRO 85 HA PRO 85 2.259 -10.499 -9.957 662 HB2 PRO 85 2HB PRO 85 3.796 -12.408 -11.597 663 HB3 PRO 85 1HB PRO 85 2.688 -11.130 -12.116 664 HG2 PRO 85 2HG PRO 85 5.602 -11.105 -12.033 665 HG3 PRO 85 1HG PRO 85 4.502 -9.973 -12.839 666 HD2 PRO 85 2HD PRO 85 6.019 -9.323 -10.643 667 HD3 PRO 85 1HD PRO 85 4.497 -8.512 -11.047 668 H ASP 86 H ASP 86 5.129 -12.326 -8.978 669 HA ASP 86 HA ASP 86 3.823 -14.723 -8.186 670 HB2 ASP 86 2HB ASP 86 6.227 -14.651 -8.667 671 HB3 ASP 86 1HB ASP 86 6.497 -13.520 -7.347 672 H ASP 87 H ASP 87 4.919 -11.847 -6.366 673 HA ASP 87 HA ASP 87 4.557 -13.041 -3.799 674 HB2 ASP 87 2HB ASP 87 5.251 -10.251 -4.730 675 HB3 ASP 87 1HB ASP 87 4.904 -10.540 -3.029 676 H ARG 88 H ARG 88 2.413 -11.153 -5.813 677 HA ARG 88 HA ARG 88 0.672 -10.195 -3.789 678 HB2 ARG 88 2HB ARG 88 -0.906 -9.763 -5.679 679 HB3 ARG 88 1HB ARG 88 0.715 -9.151 -5.958 680 HG2 ARG 88 2HG ARG 88 0.243 -10.046 -8.031 681 HG3 ARG 88 1HG ARG 88 1.062 -11.404 -7.273 682 HD2 ARG 88 2HD ARG 88 -1.246 -12.320 -6.676 683 HD3 ARG 88 1HD ARG 88 -1.928 -11.050 -7.695 684 HE ARG 88 HE ARG 88 -0.054 -12.414 -9.241 685 HH11 ARG 88 1HH1 ARG 88 -3.060 -13.218 -7.594 686 HH12 ARG 88 2HH1 ARG 88 -3.489 -14.465 -8.716 687 HH21 ARG 88 1HH2 ARG 88 -0.668 -14.026 -10.737 688 HH22 ARG 88 2HH2 ARG 88 -2.131 -14.917 -10.492 689 H SER 89 H SER 89 0.822 -13.239 -5.546 690 HA SER 89 HA SER 89 -1.633 -14.308 -4.361 691 HB2 SER 89 2HB SER 89 -1.142 -14.820 -6.730 692 HB3 SER 89 1HB SER 89 0.383 -15.577 -6.271 693 HG SER 89 HG SER 89 -2.061 -16.456 -5.169 694 H LYS 90 H LYS 90 1.867 -14.682 -4.231 695 HA LYS 90 HA LYS 90 2.191 -16.928 -2.623 696 HB2 LYS 90 2HB LYS 90 4.060 -15.924 -3.834 697 HB3 LYS 90 1HB LYS 90 3.908 -14.427 -2.920 698 HG2 LYS 90 2HG LYS 90 4.557 -15.696 -0.846 699 HG3 LYS 90 1HG LYS 90 4.853 -17.112 -1.859 700 HD2 LYS 90 2HD LYS 90 6.641 -15.940 -3.054 701 HD3 LYS 90 1HD LYS 90 6.268 -14.434 -2.208 702 HE2 LYS 90 2HE LYS 90 6.949 -15.439 -0.074 703 HE3 LYS 90 1HE LYS 90 7.266 -16.979 -0.878 704 HZ1 LYS 90 1HZ LYS 90 9.274 -15.667 -0.465 705 HZ2 LYS 90 2HZ LYS 90 8.690 -14.442 -1.473 706 HZ3 LYS 90 3HZ LYS 90 9.033 -15.966 -2.111 707 H ILE 91 H ILE 91 1.736 -13.537 -1.729 708 HA ILE 91 HA ILE 91 1.375 -14.271 1.123 709 HB ILE 91 HB ILE 91 2.558 -11.615 0.151 710 HG12 ILE 91 2HG1 ILE 91 3.991 -14.132 1.094 711 HG13 ILE 91 1HG1 ILE 91 4.144 -13.348 -0.469 712 HG21 ILE 91 1HG2 ILE 91 2.544 -12.850 2.943 713 HG22 ILE 91 2HG2 ILE 91 1.499 -11.534 2.408 714 HG23 ILE 91 3HG2 ILE 91 3.241 -11.288 2.500 715 HD11 ILE 91 1HD1 ILE 91 5.135 -12.326 2.178 716 HD12 ILE 91 2HD1 ILE 91 5.205 -11.429 0.660 717 HD13 ILE 91 3HD1 ILE 91 6.088 -12.944 0.830 718 H ALA 92 H ALA 92 -0.650 -14.294 -0.823 719 HA ALA 92 HA ALA 92 -2.404 -12.098 -0.732 720 HB1 ALA 92 1HB ALA 92 -3.091 -15.069 -0.668 721 HB2 ALA 92 2HB ALA 92 -2.836 -14.098 -2.119 722 HB3 ALA 92 3HB ALA 92 -4.212 -13.763 -1.068 723 H LYS 93 H LYS 93 -2.033 -14.870 1.456 724 HA LYS 93 HA LYS 93 -2.079 -13.378 3.832 725 HB2 LYS 93 2HB LYS 93 -4.162 -14.368 4.885 726 HB3 LYS 93 1HB LYS 93 -4.460 -13.156 3.647 727 HG2 LYS 93 2HG LYS 93 -5.009 -14.948 2.020 728 HG3 LYS 93 1HG LYS 93 -4.715 -16.163 3.264 729 HD2 LYS 93 2HD LYS 93 -6.863 -14.007 3.373 730 HD3 LYS 93 1HD LYS 93 -7.135 -15.702 2.965 731 HE2 LYS 93 2HE LYS 93 -6.421 -16.379 5.217 732 HE3 LYS 93 1HE LYS 93 -6.071 -14.699 5.630 733 HZ1 LYS 93 1HZ LYS 93 -8.426 -14.195 5.280 734 HZ2 LYS 93 2HZ LYS 93 -8.188 -15.330 6.505 735 HZ3 LYS 93 3HZ LYS 93 -8.739 -15.829 4.990 736 HA PRO 94 HA PRO 94 0.115 -17.449 4.226 737 HB2 PRO 94 2HB PRO 94 2.055 -16.524 5.960 738 HB3 PRO 94 1HB PRO 94 2.161 -16.304 4.201 739 HG2 PRO 94 2HG PRO 94 1.250 -14.341 6.288 740 HG3 PRO 94 1HG PRO 94 2.325 -14.081 4.893 741 HD2 PRO 94 2HD PRO 94 -0.304 -13.376 4.841 742 HD3 PRO 94 1HD PRO 94 0.551 -13.924 3.382 743 H SER 95 H SER 95 -1.001 -15.172 6.645 744 HA SER 95 HA SER 95 -1.674 -17.297 8.590 745 HB2 SER 95 2HB SER 95 -1.901 -15.306 10.155 746 HB3 SER 95 1HB SER 95 -0.272 -15.502 9.503 747 HG SER 95 HG SER 95 -0.745 -13.383 9.223 748 H GLU 96 H GLU 96 -3.774 -16.116 9.892 749 HA GLU 96 HA GLU 96 -5.952 -16.204 7.992 750 HB2 GLU 96 2HB GLU 96 -5.830 -17.055 10.534 751 HB3 GLU 96 1HB GLU 96 -6.359 -15.421 10.890 752 HG2 GLU 96 2HG GLU 96 -7.818 -17.457 9.184 753 HG3 GLU 96 1HG GLU 96 -8.245 -16.989 10.824 754 H THR 97 H THR 97 -4.410 -13.759 10.090 755 HA THR 97 HA THR 97 -5.178 -11.586 8.367 756 HB THR 97 HB THR 97 -7.301 -11.647 9.478 757 HG1 THR 97 HG1 THR 97 -6.205 -9.545 9.354 758 HG21 THR 97 1HG2 THR 97 -5.872 -11.705 12.156 759 HG22 THR 97 2HG2 THR 97 -6.750 -13.050 11.424 760 HG23 THR 97 3HG2 THR 97 -7.621 -11.596 11.917 761 H LEU 98 H LEU 98 -3.961 -12.485 11.606 762 HA LEU 98 HA LEU 98 -1.788 -10.483 11.332 763 HB2 LEU 98 2HB LEU 98 -3.145 -11.568 13.830 764 HB3 LEU 98 1HB LEU 98 -1.533 -10.890 13.906 765 HG LEU 98 HG LEU 98 -3.028 -9.173 14.619 766 HD11 LEU 98 1HD1 LEU 98 -1.200 -8.390 13.181 767 HD12 LEU 98 2HD1 LEU 98 -2.621 -7.357 13.053 768 HD13 LEU 98 3HD1 LEU 98 -2.250 -8.506 11.764 769 HD21 LEU 98 1HD2 LEU 98 -4.667 -9.567 12.097 770 HD22 LEU 98 2HD2 LEU 98 -4.939 -8.338 13.336 771 HD23 LEU 98 3HD2 LEU 98 -5.136 -10.043 13.731 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 12.524 -6.884 -6.990 2 H2 ALA 1 2H ALA 1 12.140 -7.438 -5.442 3 H3 ALA 1 3H ALA 1 13.709 -6.917 -5.789 4 HA ALA 1 HA ALA 1 11.275 -5.241 -5.784 5 HB1 ALA 1 1HB ALA 1 12.210 -4.182 -3.775 6 HB2 ALA 1 2HB ALA 1 13.587 -5.285 -3.825 7 HB3 ALA 1 3HB ALA 1 11.967 -5.911 -3.523 8 H GLU 2 H GLU 2 14.747 -5.482 -6.372 9 HA GLU 2 HA GLU 2 15.209 -2.714 -6.885 10 HB2 GLU 2 2HB GLU 2 17.030 -4.182 -6.155 11 HB3 GLU 2 1HB GLU 2 16.861 -5.175 -7.602 12 HG2 GLU 2 2HG GLU 2 17.567 -3.275 -9.005 13 HG3 GLU 2 1HG GLU 2 17.679 -2.251 -7.574 14 H GLN 3 H GLN 3 14.320 -1.693 -8.559 15 HA GLN 3 HA GLN 3 14.224 -2.955 -11.222 16 HB2 GLN 3 2HB GLN 3 12.145 -1.864 -10.458 17 HB3 GLN 3 1HB GLN 3 12.999 -0.347 -10.230 18 HG2 GLN 3 2HG GLN 3 11.609 -0.457 -12.322 19 HG3 GLN 3 1HG GLN 3 13.304 -0.060 -12.596 20 HE21 GLN 3 1HE2 GLN 3 10.889 -2.591 -12.884 21 HE22 GLN 3 2HE2 GLN 3 11.732 -3.516 -14.076 22 H SER 4 H SER 4 15.817 -2.540 -12.591 23 HA SER 4 HA SER 4 17.973 -0.749 -12.022 24 HB2 SER 4 2HB SER 4 18.738 -1.522 -14.361 25 HB3 SER 4 1HB SER 4 18.538 -2.775 -13.137 26 HG SER 4 HG SER 4 16.798 -3.534 -14.149 27 H ASP 5 H ASP 5 15.038 -0.502 -13.885 28 HA ASP 5 HA ASP 5 15.746 2.013 -15.161 29 HB2 ASP 5 2HB ASP 5 14.130 0.274 -16.137 30 HB3 ASP 5 1HB ASP 5 12.967 0.753 -14.908 31 H LYS 6 H LYS 6 14.407 3.951 -14.780 32 HA LYS 6 HA LYS 6 14.558 4.788 -12.049 33 HB2 LYS 6 2HB LYS 6 13.394 6.184 -14.491 34 HB3 LYS 6 1HB LYS 6 13.786 6.965 -12.959 35 HG2 LYS 6 2HG LYS 6 16.138 6.632 -13.282 36 HG3 LYS 6 1HG LYS 6 15.869 5.540 -14.641 37 HD2 LYS 6 2HD LYS 6 15.146 8.501 -14.657 38 HD3 LYS 6 1HD LYS 6 16.646 7.843 -15.312 39 HE2 LYS 6 2HE LYS 6 15.344 6.498 -16.932 40 HE3 LYS 6 1HE LYS 6 13.845 7.160 -16.273 41 HZ1 LYS 6 1HZ LYS 6 14.526 8.296 -18.298 42 HZ2 LYS 6 2HZ LYS 6 15.991 8.750 -17.585 43 HZ3 LYS 6 3HZ LYS 6 14.534 9.357 -16.981 44 H ASP 7 H ASP 7 11.976 3.621 -14.071 45 HA ASP 7 HA ASP 7 9.927 4.097 -11.995 46 HB2 ASP 7 2HB ASP 7 9.811 5.893 -13.754 47 HB3 ASP 7 1HB ASP 7 9.556 4.658 -14.980 48 H VAL 8 H VAL 8 7.882 2.812 -12.561 49 HA VAL 8 HA VAL 8 6.842 0.838 -12.595 50 HB VAL 8 HB VAL 8 8.645 0.038 -14.926 51 HG11 VAL 8 1HG1 VAL 8 6.784 -1.461 -15.584 52 HG12 VAL 8 2HG1 VAL 8 5.888 -0.984 -14.139 53 HG13 VAL 8 3HG1 VAL 8 7.404 -1.872 -13.982 54 HG21 VAL 8 1HG2 VAL 8 7.543 2.190 -15.413 55 HG22 VAL 8 2HG2 VAL 8 5.971 1.489 -15.016 56 HG23 VAL 8 3HG2 VAL 8 6.869 0.901 -16.417 57 H LYS 9 H LYS 9 8.024 0.794 -10.556 58 HA LYS 9 HA LYS 9 10.285 -1.013 -10.270 59 HB2 LYS 9 2HB LYS 9 8.698 0.485 -8.138 60 HB3 LYS 9 1HB LYS 9 10.257 -0.309 -7.920 61 HG2 LYS 9 2HG LYS 9 11.334 1.335 -9.385 62 HG3 LYS 9 1HG LYS 9 9.774 2.105 -9.711 63 HD2 LYS 9 2HD LYS 9 9.583 2.663 -7.273 64 HD3 LYS 9 1HD LYS 9 11.173 1.946 -7.001 65 HE2 LYS 9 2HE LYS 9 12.155 3.641 -8.538 66 HE3 LYS 9 1HE LYS 9 10.561 4.373 -8.717 67 HZ1 LYS 9 1HZ LYS 9 11.885 5.553 -7.094 68 HZ2 LYS 9 2HZ LYS 9 12.093 4.145 -6.180 69 HZ3 LYS 9 3HZ LYS 9 10.558 4.830 -6.338 70 H TYR 10 H TYR 10 9.884 -3.160 -10.172 71 HA TYR 10 HA TYR 10 7.371 -4.282 -9.293 72 HB2 TYR 10 2HB TYR 10 10.027 -5.691 -9.849 73 HB3 TYR 10 1HB TYR 10 8.493 -6.495 -9.550 74 HD1 TYR 10 HD1 TYR 10 9.878 -3.879 -11.884 75 HD2 TYR 10 HD2 TYR 10 7.391 -7.329 -11.439 76 HE1 TYR 10 HE1 TYR 10 9.486 -3.906 -14.302 77 HE2 TYR 10 HE2 TYR 10 6.983 -7.343 -13.867 78 HH TYR 10 HH TYR 10 7.114 -5.914 -15.792 79 H TYR 11 H TYR 11 7.116 -3.553 -7.162 80 HA TYR 11 HA TYR 11 9.134 -3.842 -5.147 81 HB2 TYR 11 2HB TYR 11 6.262 -2.929 -5.185 82 HB3 TYR 11 1HB TYR 11 6.880 -3.497 -3.638 83 HD1 TYR 11 HD1 TYR 11 8.157 -2.063 -2.277 84 HD2 TYR 11 HD2 TYR 11 7.594 -1.042 -6.390 85 HE1 TYR 11 HE1 TYR 11 9.207 0.113 -1.873 86 HE2 TYR 11 HE2 TYR 11 8.642 1.139 -5.988 87 HH TYR 11 HH TYR 11 10.374 1.863 -3.146 88 H THR 12 H THR 12 9.157 -5.264 -3.473 89 HA THR 12 HA THR 12 7.948 -7.901 -3.971 90 HB THR 12 HB THR 12 10.342 -6.974 -2.331 91 HG1 THR 12 HG1 THR 12 10.226 -8.633 -4.636 92 HG21 THR 12 1HG2 THR 12 9.369 -9.810 -2.743 93 HG22 THR 12 2HG2 THR 12 9.334 -8.920 -1.221 94 HG23 THR 12 3HG2 THR 12 10.880 -9.342 -1.961 95 H LEU 13 H LEU 13 6.302 -8.551 -2.631 96 HA LEU 13 HA LEU 13 5.184 -6.807 -0.695 97 HB2 LEU 13 2HB LEU 13 4.054 -8.647 -2.145 98 HB3 LEU 13 1HB LEU 13 4.548 -9.766 -0.890 99 HG LEU 13 HG LEU 13 3.153 -8.544 0.767 100 HD11 LEU 13 1HD1 LEU 13 2.337 -6.759 -1.554 101 HD12 LEU 13 2HD1 LEU 13 3.297 -6.279 -0.149 102 HD13 LEU 13 3HD1 LEU 13 1.616 -6.761 0.060 103 HD21 LEU 13 1HD2 LEU 13 1.610 -9.269 -1.742 104 HD22 LEU 13 2HD2 LEU 13 0.950 -9.167 -0.107 105 HD23 LEU 13 3HD2 LEU 13 2.149 -10.398 -0.497 106 H GLU 14 H GLU 14 7.526 -9.364 -0.468 107 HA GLU 14 HA GLU 14 7.635 -9.672 2.354 108 HB2 GLU 14 2HB GLU 14 8.549 -11.254 0.633 109 HB3 GLU 14 1HB GLU 14 9.817 -10.097 0.268 110 HG2 GLU 14 2HG GLU 14 9.479 -11.301 3.025 111 HG3 GLU 14 1HG GLU 14 10.392 -12.118 1.759 112 H GLU 15 H GLU 15 9.215 -7.364 0.108 113 HA GLU 15 HA GLU 15 10.818 -5.975 2.004 114 HB2 GLU 15 2HB GLU 15 9.534 -5.039 -0.591 115 HB3 GLU 15 1HB GLU 15 10.557 -3.988 0.378 116 HG2 GLU 15 2HG GLU 15 11.454 -6.617 -0.818 117 HG3 GLU 15 1HG GLU 15 11.669 -5.043 -1.582 118 H ILE 16 H ILE 16 7.454 -5.619 0.962 119 HA ILE 16 HA ILE 16 6.956 -3.230 2.501 120 HB ILE 16 HB ILE 16 4.785 -4.999 1.301 121 HG12 ILE 16 2HG1 ILE 16 6.413 -2.855 -0.161 122 HG13 ILE 16 1HG1 ILE 16 6.446 -4.581 -0.500 123 HG21 ILE 16 1HG2 ILE 16 4.935 -2.004 1.821 124 HG22 ILE 16 2HG2 ILE 16 4.075 -3.180 2.815 125 HG23 ILE 16 3HG2 ILE 16 3.541 -2.870 1.163 126 HD11 ILE 16 1HD1 ILE 16 4.085 -2.742 -0.876 127 HD12 ILE 16 2HD1 ILE 16 4.096 -4.481 -1.183 128 HD13 ILE 16 3HD1 ILE 16 5.119 -3.412 -2.138 129 H GLN 17 H GLN 17 6.744 -6.644 3.052 130 HA GLN 17 HA GLN 17 5.059 -6.820 5.298 131 HB2 GLN 17 2HB GLN 17 5.908 -8.799 4.094 132 HB3 GLN 17 1HB GLN 17 7.557 -8.416 4.558 133 HG2 GLN 17 2HG GLN 17 6.717 -10.291 5.864 134 HG3 GLN 17 1HG GLN 17 7.024 -8.911 6.913 135 HE21 GLN 17 1HE2 GLN 17 5.267 -7.908 7.946 136 HE22 GLN 17 2HE2 GLN 17 3.697 -8.632 8.010 137 H LYS 18 H LYS 18 8.284 -5.557 4.902 138 HA LYS 18 HA LYS 18 8.874 -5.250 7.735 139 HB2 LYS 18 2HB LYS 18 10.322 -4.035 5.334 140 HB3 LYS 18 1HB LYS 18 10.961 -4.237 6.963 141 HG2 LYS 18 2HG LYS 18 10.229 -6.498 5.082 142 HG3 LYS 18 1HG LYS 18 11.865 -5.879 5.323 143 HD2 LYS 18 2HD LYS 18 11.894 -6.644 7.622 144 HD3 LYS 18 1HD LYS 18 10.173 -7.037 7.579 145 HE2 LYS 18 2HE LYS 18 11.517 -9.078 7.428 146 HE3 LYS 18 1HE LYS 18 10.634 -8.828 5.925 147 HZ1 LYS 18 1HZ LYS 18 12.801 -9.483 5.350 148 HZ2 LYS 18 2HZ LYS 18 13.526 -8.393 6.427 149 HZ3 LYS 18 3HZ LYS 18 12.742 -7.820 5.045 150 H HIS 19 H HIS 19 6.413 -4.065 7.116 151 HA HIS 19 HA HIS 19 6.615 -1.195 6.692 152 HB2 HIS 19 2HB HIS 19 4.109 -1.286 7.096 153 HB3 HIS 19 1HB HIS 19 4.664 -2.312 5.783 154 HD1 HIS 19 HD1 HIS 19 4.331 -4.839 6.029 155 HD2 HIS 19 HD2 HIS 19 3.132 -2.715 9.383 156 HE1 HIS 19 HE1 HIS 19 3.127 -6.494 7.471 157 HE2 HIS 19 HE2 HIS 19 2.182 -5.112 9.348 158 H LYS 20 H LYS 20 8.182 -1.840 8.816 159 HA LYS 20 HA LYS 20 6.963 -1.925 11.395 160 HB2 LYS 20 2HB LYS 20 9.290 -2.812 10.564 161 HB3 LYS 20 1HB LYS 20 9.859 -1.167 10.803 162 HG2 LYS 20 2HG LYS 20 10.462 -2.433 12.742 163 HG3 LYS 20 1HG LYS 20 9.144 -1.355 13.221 164 HD2 LYS 20 2HD LYS 20 7.537 -3.200 13.117 165 HD3 LYS 20 1HD LYS 20 8.766 -4.282 12.454 166 HE2 LYS 20 2HE LYS 20 10.023 -4.164 14.569 167 HE3 LYS 20 1HE LYS 20 8.817 -3.049 15.229 168 HZ1 LYS 20 1HZ LYS 20 7.144 -4.790 14.965 169 HZ2 LYS 20 2HZ LYS 20 8.401 -5.296 15.976 170 HZ3 LYS 20 3HZ LYS 20 8.322 -5.854 14.383 171 H ASP 21 H ASP 21 8.127 0.554 9.288 172 HA ASP 21 HA ASP 21 7.373 2.709 11.168 173 HB2 ASP 21 2HB ASP 21 9.915 2.458 10.622 174 HB3 ASP 21 1HB ASP 21 9.508 2.967 8.989 175 H SER 22 H SER 22 6.781 4.713 9.964 176 HA SER 22 HA SER 22 4.673 4.379 8.168 177 HB2 SER 22 2HB SER 22 6.334 6.905 8.599 178 HB3 SER 22 1HB SER 22 4.676 6.819 8.000 179 HG SER 22 HG SER 22 4.498 5.579 10.193 180 H LYS 23 H LYS 23 8.101 4.837 7.595 181 HA LYS 23 HA LYS 23 7.905 5.830 4.933 182 HB2 LYS 23 2HB LYS 23 10.374 5.696 4.928 183 HB3 LYS 23 1HB LYS 23 9.719 6.520 6.329 184 HG2 LYS 23 2HG LYS 23 11.480 5.265 7.213 185 HG3 LYS 23 1HG LYS 23 10.056 4.314 7.605 186 HD2 LYS 23 2HD LYS 23 11.983 2.940 6.839 187 HD3 LYS 23 1HD LYS 23 10.550 2.728 5.835 188 HE2 LYS 23 2HE LYS 23 12.623 2.856 4.489 189 HE3 LYS 23 1HE LYS 23 11.525 4.180 4.103 190 HZ1 LYS 23 1HZ LYS 23 12.874 5.649 5.482 191 HZ2 LYS 23 2HZ LYS 23 13.830 4.914 4.296 192 HZ3 LYS 23 3HZ LYS 23 13.900 4.367 5.890 193 H SER 24 H SER 24 7.804 2.660 6.174 194 HA SER 24 HA SER 24 8.510 1.476 3.542 195 HB2 SER 24 2HB SER 24 9.998 0.836 5.477 196 HB3 SER 24 1HB SER 24 8.595 0.127 6.278 197 HG SER 24 HG SER 24 8.412 -1.305 4.480 198 H THR 25 H THR 25 5.944 2.641 4.374 199 HA THR 25 HA THR 25 4.164 0.291 4.588 200 HB THR 25 HB THR 25 3.613 3.256 5.062 201 HG1 THR 25 HG1 THR 25 4.873 2.385 6.710 202 HG21 THR 25 1HG2 THR 25 1.802 0.871 5.585 203 HG22 THR 25 2HG2 THR 25 1.566 2.069 4.316 204 HG23 THR 25 3HG2 THR 25 1.452 2.547 6.010 205 H TRP 26 H TRP 26 3.656 -0.410 2.605 206 HA TRP 26 HA TRP 26 2.493 1.433 0.617 207 HB2 TRP 26 2HB TRP 26 4.347 -0.896 -0.109 208 HB3 TRP 26 1HB TRP 26 3.596 0.225 -1.234 209 HD1 TRP 26 HD TRP 26 4.534 2.904 -0.945 210 HE1 TRP 26 HE1 TRP 26 6.925 3.708 -0.530 211 HE3 TRP 26 HE3 TRP 26 6.520 -1.419 0.910 212 HZ2 TRP 26 HZ2 TRP 26 9.356 2.652 0.446 213 HZ3 TRP 26 HZ3 TRP 26 8.892 -1.449 1.560 214 HH2 TRP 26 HH TRP 26 10.283 0.549 1.332 215 H VAL 27 H VAL 27 1.004 0.170 -0.872 216 HA VAL 27 HA VAL 27 -0.146 -2.248 0.385 217 HB VAL 27 HB VAL 27 -2.456 -1.237 0.217 218 HG11 VAL 27 1HG1 VAL 27 -0.609 0.136 2.192 219 HG12 VAL 27 2HG1 VAL 27 -1.409 -1.422 2.408 220 HG13 VAL 27 3HG1 VAL 27 -2.371 0.054 2.311 221 HG21 VAL 27 1HG2 VAL 27 -2.692 1.221 0.101 222 HG22 VAL 27 2HG2 VAL 27 -1.962 0.573 -1.367 223 HG23 VAL 27 3HG2 VAL 27 -0.952 1.381 -0.164 224 H ILE 28 H ILE 28 -1.610 -3.464 -0.998 225 HA ILE 28 HA ILE 28 -1.301 -2.849 -3.887 226 HB ILE 28 HB ILE 28 -0.728 -5.123 -4.435 227 HG12 ILE 28 2HG1 ILE 28 -0.840 -5.920 -1.484 228 HG13 ILE 28 1HG1 ILE 28 -2.149 -6.239 -2.613 229 HG21 ILE 28 1HG2 ILE 28 1.161 -3.737 -3.779 230 HG22 ILE 28 2HG2 ILE 28 1.444 -5.383 -3.217 231 HG23 ILE 28 3HG2 ILE 28 0.926 -4.148 -2.077 232 HD11 ILE 28 1HD1 ILE 28 0.658 -7.326 -2.846 233 HD12 ILE 28 2HD1 ILE 28 -0.682 -7.650 -3.952 234 HD13 ILE 28 3HD1 ILE 28 -0.764 -8.201 -2.280 235 H LEU 29 H LEU 29 -3.078 -3.019 -5.096 236 HA LEU 29 HA LEU 29 -5.649 -3.606 -3.928 237 HB2 LEU 29 2HB LEU 29 -4.767 -2.796 -6.717 238 HB3 LEU 29 1HB LEU 29 -6.427 -3.249 -6.398 239 HG LEU 29 HG LEU 29 -6.115 -0.794 -6.459 240 HD11 LEU 29 1HD1 LEU 29 -6.923 -1.768 -3.710 241 HD12 LEU 29 2HD1 LEU 29 -7.954 -1.715 -5.142 242 HD13 LEU 29 3HD1 LEU 29 -7.344 -0.218 -4.445 243 HD21 LEU 29 1HD2 LEU 29 -4.397 -1.114 -3.982 244 HD22 LEU 29 2HD2 LEU 29 -4.919 0.412 -4.702 245 HD23 LEU 29 3HD2 LEU 29 -3.825 -0.651 -5.583 246 H HIS 30 H HIS 30 -3.385 -5.239 -5.998 247 HA HIS 30 HA HIS 30 -4.143 -7.811 -5.291 248 HB2 HIS 30 2HB HIS 30 -6.137 -7.515 -6.728 249 HB3 HIS 30 1HB HIS 30 -5.119 -7.040 -8.084 250 HD1 HIS 30 HD1 HIS 30 -5.430 -8.925 -9.706 251 HD2 HIS 30 HD2 HIS 30 -4.725 -10.305 -5.847 252 HE1 HIS 30 HE1 HIS 30 -5.272 -11.427 -9.889 253 HE2 HIS 30 HE2 HIS 30 -4.993 -12.235 -7.531 254 H HIS 31 H HIS 31 -2.964 -6.079 -8.211 255 HA HIS 31 HA HIS 31 -0.532 -7.792 -8.234 256 HB2 HIS 31 2HB HIS 31 -1.890 -8.088 -10.263 257 HB3 HIS 31 1HB HIS 31 -1.917 -6.352 -10.537 258 HD1 HIS 31 HD1 HIS 31 0.384 -9.339 -10.744 259 HD2 HIS 31 HD2 HIS 31 0.363 -5.324 -11.824 260 HE1 HIS 31 HE1 HIS 31 2.437 -8.995 -12.153 261 HE2 HIS 31 HE2 HIS 31 2.498 -6.531 -12.592 262 H LYS 32 H LYS 32 -1.690 -4.471 -8.218 263 HA LYS 32 HA LYS 32 1.009 -3.435 -8.866 264 HB2 LYS 32 2HB LYS 32 -0.979 -2.723 -10.249 265 HB3 LYS 32 1HB LYS 32 -1.649 -1.949 -8.817 266 HG2 LYS 32 2HG LYS 32 0.296 -0.436 -8.716 267 HG3 LYS 32 1HG LYS 32 0.993 -1.227 -10.132 268 HD2 LYS 32 2HD LYS 32 -1.612 0.335 -10.047 269 HD3 LYS 32 1HD LYS 32 -0.090 0.894 -10.740 270 HE2 LYS 32 2HE LYS 32 -0.212 -0.928 -12.420 271 HE3 LYS 32 1HE LYS 32 -1.761 -1.439 -11.740 272 HZ1 LYS 32 1HZ LYS 32 -1.164 1.172 -13.034 273 HZ2 LYS 32 2HZ LYS 32 -2.618 0.801 -12.259 274 HZ3 LYS 32 3HZ LYS 32 -2.156 -0.062 -13.634 275 H VAL 33 H VAL 33 1.954 -1.805 -7.571 276 HA VAL 33 HA VAL 33 1.017 -1.718 -4.765 277 HB VAL 33 HB VAL 33 3.277 -2.795 -5.096 278 HG11 VAL 33 1HG1 VAL 33 5.241 -1.425 -5.683 279 HG12 VAL 33 2HG1 VAL 33 4.191 -0.049 -6.025 280 HG13 VAL 33 3HG1 VAL 33 4.093 -1.500 -7.020 281 HG21 VAL 33 1HG2 VAL 33 4.434 -1.533 -3.310 282 HG22 VAL 33 2HG2 VAL 33 2.718 -1.748 -2.959 283 HG23 VAL 33 3HG2 VAL 33 3.310 -0.188 -3.538 284 H TYR 34 H TYR 34 0.643 0.210 -3.852 285 HA TYR 34 HA TYR 34 1.339 2.728 -5.236 286 HB2 TYR 34 2HB TYR 34 -1.264 2.044 -3.787 287 HB3 TYR 34 1HB TYR 34 -0.800 3.688 -4.220 288 HD1 TYR 34 HD1 TYR 34 -0.525 4.286 -6.660 289 HD2 TYR 34 HD2 TYR 34 -2.267 0.592 -5.436 290 HE1 TYR 34 HE1 TYR 34 -1.535 4.042 -8.875 291 HE2 TYR 34 HE2 TYR 34 -3.296 0.350 -7.661 292 HH TYR 34 HH TYR 34 -3.983 1.791 -9.541 293 H ASP 35 H ASP 35 1.812 4.454 -3.892 294 HA ASP 35 HA ASP 35 3.265 3.740 -1.559 295 HB2 ASP 35 2HB ASP 35 4.073 5.468 -3.193 296 HB3 ASP 35 1HB ASP 35 2.757 6.521 -2.682 297 H LEU 36 H LEU 36 2.374 3.506 0.358 298 HA LEU 36 HA LEU 36 -0.014 5.054 1.139 299 HB2 LEU 36 2HB LEU 36 0.254 2.404 1.247 300 HB3 LEU 36 1HB LEU 36 1.118 2.737 2.729 301 HG LEU 36 HG LEU 36 -1.209 2.104 3.192 302 HD11 LEU 36 1HD1 LEU 36 -1.927 3.902 4.607 303 HD12 LEU 36 2HD1 LEU 36 -0.855 5.035 3.783 304 HD13 LEU 36 3HD1 LEU 36 -0.183 3.704 4.726 305 HD21 LEU 36 1HD2 LEU 36 -2.218 2.840 1.088 306 HD22 LEU 36 2HD2 LEU 36 -2.053 4.523 1.589 307 HD23 LEU 36 3HD2 LEU 36 -3.111 3.427 2.485 308 H THR 37 H THR 37 3.381 4.715 1.643 309 HA THR 37 HA THR 37 3.978 5.479 4.189 310 HB THR 37 HB THR 37 5.321 6.180 1.555 311 HG1 THR 37 HG1 THR 37 5.401 4.003 2.145 312 HG21 THR 37 1HG2 THR 37 7.368 6.800 2.833 313 HG22 THR 37 2HG2 THR 37 6.433 6.745 4.328 314 HG23 THR 37 3HG2 THR 37 6.044 7.938 3.087 315 H LYS 38 H LYS 38 3.188 7.621 1.504 316 HA LYS 38 HA LYS 38 3.289 10.040 3.089 317 HB2 LYS 38 2HB LYS 38 4.008 9.943 0.694 318 HB3 LYS 38 1HB LYS 38 2.364 9.561 0.232 319 HG2 LYS 38 2HG LYS 38 2.781 11.858 -0.281 320 HG3 LYS 38 1HG LYS 38 1.630 11.799 1.051 321 HD2 LYS 38 2HD LYS 38 4.588 12.172 1.610 322 HD3 LYS 38 1HD LYS 38 3.611 13.536 1.073 323 HE2 LYS 38 2HE LYS 38 3.143 11.878 3.572 324 HE3 LYS 38 1HE LYS 38 3.771 13.523 3.509 325 HZ1 LYS 38 1HZ LYS 38 1.629 14.198 2.490 326 HZ2 LYS 38 2HZ LYS 38 1.463 13.597 4.057 327 HZ3 LYS 38 3HZ LYS 38 1.037 12.628 2.739 328 H PHE 39 H PHE 39 0.843 7.869 1.702 329 HA PHE 39 HA PHE 39 -1.378 9.601 1.942 330 HB2 PHE 39 2HB PHE 39 -1.212 7.645 0.378 331 HB3 PHE 39 1HB PHE 39 -1.430 6.561 1.751 332 HD1 PHE 39 HD1 PHE 39 -3.157 9.692 0.502 333 HD2 PHE 39 HD2 PHE 39 -3.598 5.632 1.791 334 HE1 PHE 39 HE1 PHE 39 -5.593 9.845 0.182 335 HE2 PHE 39 HE2 PHE 39 -6.027 5.801 1.467 336 HZ PHE 39 HZ PHE 39 -7.022 7.903 0.667 337 H LEU 40 H LEU 40 0.100 7.509 4.339 338 HA LEU 40 HA LEU 40 -2.169 7.467 6.103 339 HB2 LEU 40 2HB LEU 40 -0.598 6.544 7.803 340 HB3 LEU 40 1HB LEU 40 -0.638 5.656 6.296 341 HG LEU 40 HG LEU 40 1.563 6.999 5.713 342 HD11 LEU 40 1HD1 LEU 40 2.976 7.576 7.618 343 HD12 LEU 40 2HD1 LEU 40 1.648 7.218 8.731 344 HD13 LEU 40 3HD1 LEU 40 1.514 8.565 7.598 345 HD21 LEU 40 1HD2 LEU 40 2.953 5.265 6.727 346 HD22 LEU 40 2HD2 LEU 40 1.483 4.571 6.043 347 HD23 LEU 40 3HD2 LEU 40 1.623 4.791 7.790 348 H GLU 41 H GLU 41 0.500 9.636 5.548 349 HA GLU 41 HA GLU 41 0.248 11.254 7.879 350 HB2 GLU 41 2HB GLU 41 1.401 11.829 5.123 351 HB3 GLU 41 1HB GLU 41 1.527 12.945 6.481 352 HG2 GLU 41 2HG GLU 41 2.615 10.117 6.489 353 HG3 GLU 41 1HG GLU 41 3.568 11.549 6.092 354 H GLU 42 H GLU 42 -1.519 11.113 4.878 355 HA GLU 42 HA GLU 42 -2.832 13.607 4.944 356 HB2 GLU 42 2HB GLU 42 -3.306 10.935 3.645 357 HB3 GLU 42 1HB GLU 42 -4.661 12.042 3.692 358 HG2 GLU 42 2HG GLU 42 -3.322 12.113 1.572 359 HG3 GLU 42 1HG GLU 42 -3.536 13.665 2.371 360 H PHE 43 H PHE 43 -3.315 10.689 6.822 361 HA PHE 43 HA PHE 43 -5.842 11.669 7.983 362 HB2 PHE 43 2HB PHE 43 -4.426 9.059 8.662 363 HB3 PHE 43 1HB PHE 43 -6.125 9.461 8.900 364 HD1 PHE 43 HD1 PHE 43 -7.151 10.397 6.440 365 HD2 PHE 43 HD2 PHE 43 -4.172 7.382 7.051 366 HE1 PHE 43 HE1 PHE 43 -7.673 9.428 4.251 367 HE2 PHE 43 HE2 PHE 43 -4.711 6.427 4.849 368 HZ PHE 43 HZ PHE 43 -6.459 7.459 3.460 369 HA PRO 44 HA PRO 44 -3.589 13.517 11.409 370 HB2 PRO 44 2HB PRO 44 -5.604 13.576 13.329 371 HB3 PRO 44 1HB PRO 44 -5.488 14.718 11.973 372 HG2 PRO 44 2HG PRO 44 -7.203 12.274 12.234 373 HG3 PRO 44 1HG PRO 44 -7.607 13.862 11.546 374 HD2 PRO 44 2HD PRO 44 -7.011 11.722 9.981 375 HD3 PRO 44 1HD PRO 44 -6.606 13.384 9.497 376 H GLY 45 H GLY 45 -2.064 11.930 11.801 377 HA2 GLY 45 2HA GLY 45 -0.898 10.310 12.928 378 HA3 GLY 45 1HA GLY 45 -2.069 10.483 14.231 379 H GLY 46 H GLY 46 -2.497 9.427 10.850 380 HA2 GLY 46 2HA GLY 46 -4.234 7.260 11.855 381 HA3 GLY 46 1HA GLY 46 -4.364 8.053 10.296 382 H GLU 47 H GLU 47 -1.306 6.911 11.598 383 HA GLU 47 HA GLU 47 -0.816 5.102 9.435 384 HB2 GLU 47 2HB GLU 47 1.054 6.164 10.587 385 HB3 GLU 47 1HB GLU 47 0.565 5.461 12.121 386 HG2 GLU 47 2HG GLU 47 0.998 3.160 10.989 387 HG3 GLU 47 1HG GLU 47 1.819 4.084 9.729 388 H GLU 48 H GLU 48 -1.808 4.687 12.836 389 HA GLU 48 HA GLU 48 -1.415 1.958 13.129 390 HB2 GLU 48 2HB GLU 48 -2.938 2.106 15.074 391 HB3 GLU 48 1HB GLU 48 -1.789 3.439 15.017 392 HG2 GLU 48 2HG GLU 48 -3.494 4.971 14.228 393 HG3 GLU 48 1HG GLU 48 -4.658 3.659 14.057 394 H VAL 49 H VAL 49 -4.264 3.562 11.773 395 HA VAL 49 HA VAL 49 -6.071 1.371 12.050 396 HB VAL 49 HB VAL 49 -6.752 3.764 11.955 397 HG11 VAL 49 1HG1 VAL 49 -5.230 4.554 10.201 398 HG12 VAL 49 2HG1 VAL 49 -6.903 4.972 9.826 399 HG13 VAL 49 3HG1 VAL 49 -6.122 3.627 8.990 400 HG21 VAL 49 1HG2 VAL 49 -8.446 2.025 11.550 401 HG22 VAL 49 2HG2 VAL 49 -8.100 2.073 9.819 402 HG23 VAL 49 3HG2 VAL 49 -8.797 3.485 10.620 403 H LEU 50 H LEU 50 -3.660 2.095 9.709 404 HA LEU 50 HA LEU 50 -4.699 0.094 7.768 405 HB2 LEU 50 2HB LEU 50 -3.354 1.472 6.074 406 HB3 LEU 50 1HB LEU 50 -4.822 2.192 6.708 407 HG LEU 50 HG LEU 50 -3.228 3.408 8.417 408 HD11 LEU 50 1HD1 LEU 50 -1.207 2.669 6.294 409 HD12 LEU 50 2HD1 LEU 50 -1.178 2.244 8.005 410 HD13 LEU 50 3HD1 LEU 50 -0.976 3.922 7.517 411 HD21 LEU 50 1HD2 LEU 50 -2.907 5.294 6.887 412 HD22 LEU 50 2HD2 LEU 50 -4.518 4.599 6.743 413 HD23 LEU 50 3HD2 LEU 50 -3.301 4.256 5.512 414 H ARG 51 H ARG 51 -2.277 0.785 9.976 415 HA ARG 51 HA ARG 51 0.145 0.185 8.757 416 HB2 ARG 51 2HB ARG 51 -0.081 1.336 10.919 417 HB3 ARG 51 1HB ARG 51 -0.696 -0.131 11.666 418 HG2 ARG 51 2HG ARG 51 1.492 -1.207 11.433 419 HG3 ARG 51 1HG ARG 51 2.114 0.194 10.556 420 HD2 ARG 51 2HD ARG 51 1.900 1.601 12.526 421 HD3 ARG 51 1HD ARG 51 1.079 0.311 13.412 422 HE ARG 51 HE ARG 51 3.324 -0.920 12.959 423 HH11 ARG 51 1HH1 ARG 51 3.041 2.494 13.794 424 HH12 ARG 51 2HH1 ARG 51 4.570 2.537 14.585 425 HH21 ARG 51 1HH2 ARG 51 5.280 -0.846 14.069 426 HH22 ARG 51 2HH2 ARG 51 5.837 0.645 14.743 427 H GLU 52 H GLU 52 -2.050 -2.004 10.502 428 HA GLU 52 HA GLU 52 -0.422 -4.319 10.487 429 HB2 GLU 52 2HB GLU 52 -2.306 -4.066 12.029 430 HB3 GLU 52 1HB GLU 52 -3.441 -3.983 10.686 431 HG2 GLU 52 2HG GLU 52 -2.848 -6.349 10.107 432 HG3 GLU 52 1HG GLU 52 -1.832 -6.409 11.551 433 H GLN 53 H GLN 53 -3.018 -3.230 8.336 434 HA GLN 53 HA GLN 53 -2.930 -5.521 6.583 435 HB2 GLN 53 2HB GLN 53 -4.433 -2.890 6.498 436 HB3 GLN 53 1HB GLN 53 -4.619 -4.136 5.267 437 HG2 GLN 53 2HG GLN 53 -5.480 -5.705 6.917 438 HG3 GLN 53 1HG GLN 53 -5.184 -4.558 8.221 439 HE21 GLN 53 1HE2 GLN 53 -7.114 -5.148 5.319 440 HE22 GLN 53 2HE2 GLN 53 -8.439 -4.139 5.783 441 H ALA 54 H ALA 54 -1.101 -2.670 6.760 442 HA ALA 54 HA ALA 54 -0.445 -2.183 4.049 443 HB1 ALA 54 1HB ALA 54 1.574 -1.080 4.952 444 HB2 ALA 54 2HB ALA 54 1.275 -1.811 6.532 445 HB3 ALA 54 3HB ALA 54 0.137 -0.630 5.878 446 H GLY 55 H GLY 55 0.874 -3.284 2.648 447 HA2 GLY 55 2HA GLY 55 2.282 -4.927 1.827 448 HA3 GLY 55 1HA GLY 55 2.777 -5.295 3.474 449 H GLY 56 H GLY 56 -0.511 -5.286 2.236 450 HA2 GLY 56 2HA GLY 56 -0.653 -8.119 1.715 451 HA3 GLY 56 1HA GLY 56 -1.449 -7.645 3.216 452 H ASP 57 H ASP 57 -2.812 -5.524 2.873 453 HA ASP 57 HA ASP 57 -4.564 -5.985 0.529 454 HB2 ASP 57 2HB ASP 57 -5.592 -6.811 2.635 455 HB3 ASP 57 1HB ASP 57 -5.378 -5.229 3.367 456 H ALA 58 H ALA 58 -5.426 -4.328 -0.490 457 HA ALA 58 HA ALA 58 -5.458 -1.604 0.561 458 HB1 ALA 58 1HB ALA 58 -4.623 -0.560 -1.434 459 HB2 ALA 58 2HB ALA 58 -4.499 -2.111 -2.266 460 HB3 ALA 58 3HB ALA 58 -3.424 -1.751 -0.925 461 H THR 59 H THR 59 -6.732 -4.207 -1.202 462 HA THR 59 HA THR 59 -8.412 -3.067 -3.100 463 HB THR 59 HB THR 59 -9.269 -5.578 -1.629 464 HG1 THR 59 HG1 THR 59 -7.433 -6.328 -3.373 465 HG21 THR 59 1HG2 THR 59 -10.467 -4.829 -3.698 466 HG22 THR 59 2HG2 THR 59 -9.695 -6.404 -3.899 467 HG23 THR 59 3HG2 THR 59 -8.945 -4.963 -4.595 468 H GLU 60 H GLU 60 -8.988 -3.999 0.272 469 HA GLU 60 HA GLU 60 -11.366 -2.258 0.417 470 HB2 GLU 60 2HB GLU 60 -10.238 -4.178 2.505 471 HB3 GLU 60 1HB GLU 60 -11.762 -3.297 2.616 472 HG2 GLU 60 2HG GLU 60 -12.579 -4.542 0.605 473 HG3 GLU 60 1HG GLU 60 -11.083 -5.474 0.608 474 H ASN 61 H ASN 61 -8.138 -2.758 1.859 475 HA ASN 61 HA ASN 61 -8.280 -1.007 3.995 476 HB2 ASN 61 2HB ASN 61 -6.520 -2.670 3.825 477 HB3 ASN 61 1HB ASN 61 -5.838 -1.876 2.414 478 HD21 ASN 61 1HD2 ASN 61 -4.471 -0.108 2.709 479 HD22 ASN 61 2HD2 ASN 61 -3.915 0.411 4.261 480 H PHE 62 H PHE 62 -6.717 -0.193 0.853 481 HA PHE 62 HA PHE 62 -5.868 2.394 1.532 482 HB2 PHE 62 2HB PHE 62 -4.990 1.101 -0.407 483 HB3 PHE 62 1HB PHE 62 -6.539 1.241 -1.220 484 HD1 PHE 62 HD1 PHE 62 -7.194 3.390 -2.299 485 HD2 PHE 62 HD2 PHE 62 -3.416 2.982 -0.340 486 HE1 PHE 62 HE1 PHE 62 -6.392 5.437 -3.392 487 HE2 PHE 62 HE2 PHE 62 -2.630 5.040 -1.432 488 HZ PHE 62 HZ PHE 62 -4.120 6.271 -2.958 489 H GLU 63 H GLU 63 -8.961 1.216 0.391 490 HA GLU 63 HA GLU 63 -10.115 3.844 -0.167 491 HB2 GLU 63 2HB GLU 63 -10.663 1.896 -1.604 492 HB3 GLU 63 1HB GLU 63 -11.315 1.041 -0.210 493 HG2 GLU 63 2HG GLU 63 -13.082 2.803 -0.010 494 HG3 GLU 63 1HG GLU 63 -12.448 3.559 -1.474 495 H ASP 64 H ASP 64 -10.113 1.420 2.353 496 HA ASP 64 HA ASP 64 -12.573 2.110 3.648 497 HB2 ASP 64 2HB ASP 64 -11.483 -0.174 3.754 498 HB3 ASP 64 1HB ASP 64 -10.210 0.512 4.756 499 H VAL 65 H VAL 65 -9.169 2.436 4.557 500 HA VAL 65 HA VAL 65 -9.635 4.288 6.718 501 HB VAL 65 HB VAL 65 -7.208 4.434 6.914 502 HG11 VAL 65 1HG1 VAL 65 -6.630 2.065 7.245 503 HG12 VAL 65 2HG1 VAL 65 -8.020 1.576 6.270 504 HG13 VAL 65 3HG1 VAL 65 -8.267 2.406 7.809 505 HG21 VAL 65 1HG2 VAL 65 -6.542 4.647 4.574 506 HG22 VAL 65 2HG2 VAL 65 -7.047 2.992 4.237 507 HG23 VAL 65 3HG2 VAL 65 -5.671 3.296 5.300 508 H GLY 66 H GLY 66 -9.080 4.440 3.314 509 HA2 GLY 66 2HA GLY 66 -8.132 7.097 3.045 510 HA3 GLY 66 1HA GLY 66 -8.811 6.083 1.786 511 H PHE 67 H PHE 67 -9.232 8.769 1.855 512 HA PHE 67 HA PHE 67 -11.721 9.530 3.039 513 HB2 PHE 67 2HB PHE 67 -10.312 10.801 0.659 514 HB3 PHE 67 1HB PHE 67 -11.498 11.552 1.707 515 HD1 PHE 67 HD1 PHE 67 -7.995 10.969 1.149 516 HD2 PHE 67 HD2 PHE 67 -10.853 11.982 4.174 517 HE1 PHE 67 HE1 PHE 67 -6.202 11.924 2.528 518 HE2 PHE 67 HE2 PHE 67 -9.043 12.930 5.545 519 HZ PHE 67 HZ PHE 67 -6.723 12.908 4.724 520 H SER 68 H SER 68 -13.579 10.311 1.643 521 HA SER 68 HA SER 68 -14.691 8.073 0.292 522 HB2 SER 68 2HB SER 68 -15.741 10.937 0.382 523 HB3 SER 68 1HB SER 68 -16.678 9.488 0.003 524 HG SER 68 HG SER 68 -15.272 9.641 2.438 525 H THR 69 H THR 69 -13.835 11.324 -0.914 526 HA THR 69 HA THR 69 -13.989 10.447 -3.711 527 HB THR 69 HB THR 69 -13.530 12.905 -4.184 528 HG1 THR 69 HG1 THR 69 -12.743 14.028 -2.571 529 HG21 THR 69 1HG2 THR 69 -15.865 12.093 -4.033 530 HG22 THR 69 2HG2 THR 69 -15.721 13.743 -3.420 531 HG23 THR 69 3HG2 THR 69 -15.854 12.392 -2.291 532 H ASP 70 H ASP 70 -11.657 11.810 -1.398 533 HA ASP 70 HA ASP 70 -9.637 12.425 -3.246 534 HB2 ASP 70 2HB ASP 70 -9.309 11.961 -0.262 535 HB3 ASP 70 1HB ASP 70 -8.175 12.800 -1.303 536 H ALA 71 H ALA 71 -9.977 9.539 -1.142 537 HA ALA 71 HA ALA 71 -7.473 8.358 -1.587 538 HB1 ALA 71 1HB ALA 71 -8.496 6.222 -0.909 539 HB2 ALA 71 2HB ALA 71 -10.110 6.911 -1.123 540 HB3 ALA 71 3HB ALA 71 -9.044 7.535 0.138 541 H ARG 72 H ARG 72 -10.435 8.222 -3.454 542 HA ARG 72 HA ARG 72 -9.672 5.965 -5.059 543 HB2 ARG 72 2HB ARG 72 -12.021 7.890 -5.284 544 HB3 ARG 72 1HB ARG 72 -11.833 6.432 -6.258 545 HG2 ARG 72 2HG ARG 72 -11.959 5.025 -4.265 546 HG3 ARG 72 1HG ARG 72 -12.008 6.446 -3.222 547 HD2 ARG 72 2HD ARG 72 -14.241 5.496 -3.447 548 HD3 ARG 72 1HD ARG 72 -14.181 7.083 -4.211 549 HE ARG 72 HE ARG 72 -13.703 5.324 -6.254 550 HH11 ARG 72 1HH1 ARG 72 -16.352 5.688 -3.951 551 HH12 ARG 72 2HH1 ARG 72 -17.531 5.044 -5.044 552 HH21 ARG 72 1HH2 ARG 72 -15.287 4.479 -7.660 553 HH22 ARG 72 2HH2 ARG 72 -16.936 4.365 -7.130 554 H GLU 73 H GLU 73 -9.499 9.462 -5.473 555 HA GLU 73 HA GLU 73 -8.599 9.234 -8.261 556 HB2 GLU 73 2HB GLU 73 -8.485 11.701 -8.224 557 HB3 GLU 73 1HB GLU 73 -10.066 11.118 -7.719 558 HG2 GLU 73 2HG GLU 73 -9.471 11.538 -5.362 559 HG3 GLU 73 1HG GLU 73 -7.880 12.103 -5.864 560 H LEU 74 H LEU 74 -7.270 9.836 -5.047 561 HA LEU 74 HA LEU 74 -4.644 10.590 -5.892 562 HB2 LEU 74 2HB LEU 74 -5.938 10.047 -3.251 563 HB3 LEU 74 1HB LEU 74 -4.208 9.800 -3.305 564 HG LEU 74 HG LEU 74 -3.846 12.138 -3.978 565 HD11 LEU 74 1HD1 LEU 74 -6.838 12.512 -3.763 566 HD12 LEU 74 2HD1 LEU 74 -5.876 12.584 -5.240 567 HD13 LEU 74 3HD1 LEU 74 -5.643 13.796 -3.984 568 HD21 LEU 74 1HD2 LEU 74 -3.861 11.555 -1.596 569 HD22 LEU 74 2HD2 LEU 74 -5.590 11.911 -1.509 570 HD23 LEU 74 3HD2 LEU 74 -4.436 13.202 -1.858 571 H SER 75 H SER 75 -6.227 7.584 -5.803 572 HA SER 75 HA SER 75 -4.292 5.692 -5.270 573 HB2 SER 75 2HB SER 75 -6.259 5.642 -7.611 574 HB3 SER 75 1HB SER 75 -5.462 4.235 -6.896 575 HG SER 75 HG SER 75 -6.731 5.713 -5.017 576 H LYS 76 H LYS 76 -4.930 7.142 -8.473 577 HA LYS 76 HA LYS 76 -2.681 6.135 -9.818 578 HB2 LYS 76 2HB LYS 76 -4.889 7.054 -10.765 579 HB3 LYS 76 1HB LYS 76 -4.241 8.664 -10.521 580 HG2 LYS 76 2HG LYS 76 -2.883 6.600 -12.288 581 HG3 LYS 76 1HG LYS 76 -4.136 7.681 -12.891 582 HD2 LYS 76 2HD LYS 76 -1.416 8.487 -11.783 583 HD3 LYS 76 1HD LYS 76 -1.932 8.552 -13.471 584 HE2 LYS 76 2HE LYS 76 -3.572 10.290 -12.929 585 HE3 LYS 76 1HE LYS 76 -3.159 10.177 -11.217 586 HZ1 LYS 76 1HZ LYS 76 -1.377 11.093 -13.406 587 HZ2 LYS 76 2HZ LYS 76 -0.895 10.890 -11.798 588 HZ3 LYS 76 3HZ LYS 76 -2.056 12.047 -12.189 589 H LYS 77 H LYS 77 -3.082 8.954 -7.769 590 HA LYS 77 HA LYS 77 -0.803 10.463 -8.601 591 HB2 LYS 77 2HB LYS 77 -2.726 11.485 -7.407 592 HB3 LYS 77 1HB LYS 77 -2.356 10.555 -5.964 593 HG2 LYS 77 2HG LYS 77 -0.258 12.423 -7.067 594 HG3 LYS 77 1HG LYS 77 -1.634 13.106 -6.203 595 HD2 LYS 77 2HD LYS 77 -1.069 11.932 -4.183 596 HD3 LYS 77 1HD LYS 77 0.139 10.946 -5.010 597 HE2 LYS 77 2HE LYS 77 1.134 12.745 -3.610 598 HE3 LYS 77 1HE LYS 77 1.580 12.884 -5.313 599 HZ1 LYS 77 1HZ LYS 77 0.996 15.027 -4.342 600 HZ2 LYS 77 2HZ LYS 77 -0.545 14.466 -3.949 601 HZ3 LYS 77 3HZ LYS 77 -0.088 14.618 -5.572 602 H TYR 78 H TYR 78 -1.339 7.949 -6.180 603 HA TYR 78 HA TYR 78 1.424 8.093 -5.216 604 HB2 TYR 78 2HB TYR 78 -0.981 6.471 -4.272 605 HB3 TYR 78 1HB TYR 78 0.630 6.310 -3.577 606 HD1 TYR 78 HD1 TYR 78 -2.460 8.024 -3.229 607 HD2 TYR 78 HD2 TYR 78 1.749 8.599 -2.785 608 HE1 TYR 78 HE1 TYR 78 -2.880 9.946 -1.787 609 HE2 TYR 78 HE2 TYR 78 1.314 10.536 -1.336 610 HH TYR 78 HH TYR 78 -1.634 11.209 0.036 611 H ILE 79 H ILE 79 0.869 7.188 -7.994 612 HA ILE 79 HA ILE 79 1.440 4.391 -8.068 613 HB ILE 79 HB ILE 79 0.455 5.505 -10.034 614 HG12 ILE 79 2HG1 ILE 79 1.866 4.470 -11.805 615 HG13 ILE 79 1HG1 ILE 79 3.204 4.338 -10.668 616 HG21 ILE 79 1HG2 ILE 79 3.098 6.956 -10.407 617 HG22 ILE 79 2HG2 ILE 79 1.567 7.697 -9.931 618 HG23 ILE 79 3HG2 ILE 79 1.738 6.975 -11.534 619 HD11 ILE 79 1HD1 ILE 79 0.545 2.930 -10.396 620 HD12 ILE 79 2HD1 ILE 79 1.950 2.737 -9.341 621 HD13 ILE 79 3HD1 ILE 79 2.031 2.214 -11.022 622 H ILE 80 H ILE 80 3.232 3.460 -7.503 623 HA ILE 80 HA ILE 80 5.831 4.884 -7.553 624 HB ILE 80 HB ILE 80 4.848 4.660 -5.247 625 HG12 ILE 80 2HG1 ILE 80 7.417 3.043 -5.566 626 HG13 ILE 80 1HG1 ILE 80 7.334 4.802 -5.607 627 HG21 ILE 80 1HG2 ILE 80 4.746 2.479 -4.130 628 HG22 ILE 80 2HG2 ILE 80 5.218 1.674 -5.628 629 HG23 ILE 80 3HG2 ILE 80 3.673 2.521 -5.532 630 HD11 ILE 80 1HD1 ILE 80 8.075 4.026 -3.438 631 HD12 ILE 80 2HD1 ILE 80 6.617 3.055 -3.247 632 HD13 ILE 80 3HD1 ILE 80 6.506 4.819 -3.299 633 H GLY 81 H GLY 81 3.997 2.171 -8.484 634 HA2 GLY 81 2HA GLY 81 5.464 1.205 -10.499 635 HA3 GLY 81 1HA GLY 81 6.234 0.413 -9.123 636 H GLU 82 H GLU 82 5.545 -1.610 -9.958 637 HA GLU 82 HA GLU 82 2.734 -2.282 -9.270 638 HB2 GLU 82 2HB GLU 82 2.897 -4.151 -10.899 639 HB3 GLU 82 1HB GLU 82 3.103 -2.590 -11.688 640 HG2 GLU 82 2HG GLU 82 5.531 -2.920 -11.774 641 HG3 GLU 82 1HG GLU 82 5.369 -4.451 -10.920 642 H LEU 83 H LEU 83 2.497 -4.213 -8.020 643 HA LEU 83 HA LEU 83 4.785 -5.045 -6.462 644 HB2 LEU 83 2HB LEU 83 2.331 -4.842 -5.673 645 HB3 LEU 83 1HB LEU 83 2.029 -6.353 -6.495 646 HG LEU 83 HG LEU 83 2.295 -6.550 -4.019 647 HD11 LEU 83 1HD1 LEU 83 2.744 -8.501 -5.395 648 HD12 LEU 83 2HD1 LEU 83 3.695 -8.480 -3.915 649 HD13 LEU 83 3HD1 LEU 83 4.453 -8.067 -5.456 650 HD21 LEU 83 1HD2 LEU 83 4.481 -6.315 -2.968 651 HD22 LEU 83 2HD2 LEU 83 3.914 -4.791 -3.645 652 HD23 LEU 83 3HD2 LEU 83 5.160 -5.718 -4.482 653 H HIS 84 H HIS 84 5.686 -7.096 -6.490 654 HA HIS 84 HA HIS 84 6.423 -8.121 -8.976 655 HB2 HIS 84 2HB HIS 84 7.760 -8.146 -6.820 656 HB3 HIS 84 1HB HIS 84 6.729 -9.452 -6.250 657 HD1 HIS 84 HD1 HIS 84 7.988 -11.583 -6.399 658 HD2 HIS 84 HD2 HIS 84 8.882 -9.012 -9.539 659 HE1 HIS 84 HE1 HIS 84 9.647 -12.819 -7.830 660 HE2 HIS 84 HE2 HIS 84 10.294 -11.166 -9.612 661 HA PRO 85 HA PRO 85 2.676 -10.529 -9.937 662 HB2 PRO 85 2HB PRO 85 4.336 -12.357 -11.546 663 HB3 PRO 85 1HB PRO 85 3.127 -11.177 -12.080 664 HG2 PRO 85 2HG PRO 85 6.021 -10.931 -12.041 665 HG3 PRO 85 1HG PRO 85 4.826 -9.881 -12.815 666 HD2 PRO 85 2HD PRO 85 6.350 -9.139 -10.640 667 HD3 PRO 85 1HD PRO 85 4.781 -8.411 -11.035 668 H ASP 86 H ASP 86 5.649 -12.226 -8.973 669 HA ASP 86 HA ASP 86 4.441 -14.646 -8.071 670 HB2 ASP 86 2HB ASP 86 6.857 -14.487 -8.584 671 HB3 ASP 86 1HB ASP 86 7.087 -13.371 -7.245 672 H ASP 87 H ASP 87 5.474 -11.671 -6.361 673 HA ASP 87 HA ASP 87 5.254 -12.748 -3.751 674 HB2 ASP 87 2HB ASP 87 5.823 -10.062 -4.912 675 HB3 ASP 87 1HB ASP 87 5.219 -10.037 -3.265 676 H ARG 88 H ARG 88 2.883 -11.032 -5.688 677 HA ARG 88 HA ARG 88 1.105 -10.340 -3.586 678 HB2 ARG 88 2HB ARG 88 -0.531 -9.935 -5.431 679 HB3 ARG 88 1HB ARG 88 1.026 -9.165 -5.681 680 HG2 ARG 88 2HG ARG 88 0.641 -9.973 -7.800 681 HG3 ARG 88 1HG ARG 88 1.549 -11.318 -7.119 682 HD2 ARG 88 2HD ARG 88 -0.713 -12.391 -6.566 683 HD3 ARG 88 1HD ARG 88 -1.449 -11.124 -7.553 684 HE ARG 88 HE ARG 88 0.526 -12.304 -9.102 685 HH11 ARG 88 1HH1 ARG 88 -2.494 -13.320 -7.609 686 HH12 ARG 88 2HH1 ARG 88 -2.810 -14.531 -8.810 687 HH21 ARG 88 1HH2 ARG 88 0.069 -13.888 -10.680 688 HH22 ARG 88 2HH2 ARG 88 -1.368 -14.851 -10.537 689 H SER 89 H SER 89 1.528 -13.238 -5.495 690 HA SER 89 HA SER 89 -0.804 -14.608 -4.398 691 HB2 SER 89 2HB SER 89 -0.156 -14.966 -6.755 692 HB3 SER 89 1HB SER 89 1.427 -15.553 -6.250 693 HG SER 89 HG SER 89 0.557 -17.413 -5.611 694 H LYS 90 H LYS 90 2.669 -14.424 -3.981 695 HA LYS 90 HA LYS 90 3.226 -16.728 -2.472 696 HB2 LYS 90 2HB LYS 90 5.001 -15.463 -3.511 697 HB3 LYS 90 1HB LYS 90 4.539 -13.998 -2.659 698 HG2 LYS 90 2HG LYS 90 5.250 -15.148 -0.508 699 HG3 LYS 90 1HG LYS 90 5.924 -16.437 -1.517 700 HD2 LYS 90 2HD LYS 90 7.453 -14.892 -2.589 701 HD3 LYS 90 1HD LYS 90 6.672 -13.503 -1.827 702 HE2 LYS 90 2HE LYS 90 8.779 -13.981 -0.715 703 HE3 LYS 90 1HE LYS 90 7.443 -14.316 0.386 704 HZ1 LYS 90 1HZ LYS 90 8.865 -16.376 -1.215 705 HZ2 LYS 90 2HZ LYS 90 7.685 -16.654 -0.032 706 HZ3 LYS 90 3HZ LYS 90 9.193 -16.027 0.408 707 H ILE 91 H ILE 91 2.805 -13.364 -1.310 708 HA ILE 91 HA ILE 91 1.936 -14.381 1.328 709 HB ILE 91 HB ILE 91 2.721 -11.497 0.684 710 HG12 ILE 91 2HG1 ILE 91 4.549 -13.649 1.858 711 HG13 ILE 91 1HG1 ILE 91 4.658 -13.024 0.217 712 HG21 ILE 91 1HG2 ILE 91 3.041 -11.285 3.129 713 HG22 ILE 91 2HG2 ILE 91 2.556 -12.967 3.348 714 HG23 ILE 91 3HG2 ILE 91 1.392 -11.783 2.747 715 HD11 ILE 91 1HD1 ILE 91 5.216 -10.800 1.106 716 HD12 ILE 91 2HD1 ILE 91 6.351 -12.037 1.638 717 HD13 ILE 91 3HD1 ILE 91 5.122 -11.439 2.752 718 H ALA 92 H ALA 92 0.086 -14.912 -0.352 719 HA ALA 92 HA ALA 92 -1.835 -12.945 -1.022 720 HB1 ALA 92 1HB ALA 92 -1.808 -15.182 -2.054 721 HB2 ALA 92 2HB ALA 92 -3.385 -14.833 -1.343 722 HB3 ALA 92 3HB ALA 92 -2.260 -15.911 -0.509 723 H LYS 93 H LYS 93 -1.065 -14.570 1.931 724 HA LYS 93 HA LYS 93 -2.579 -12.644 3.448 725 HB2 LYS 93 2HB LYS 93 -3.640 -14.420 4.920 726 HB3 LYS 93 1HB LYS 93 -4.333 -14.288 3.310 727 HG2 LYS 93 2HG LYS 93 -3.044 -16.284 2.597 728 HG3 LYS 93 1HG LYS 93 -2.372 -16.421 4.226 729 HD2 LYS 93 2HD LYS 93 -4.679 -16.744 5.124 730 HD3 LYS 93 1HD LYS 93 -5.318 -16.648 3.480 731 HE2 LYS 93 2HE LYS 93 -5.134 -18.985 4.215 732 HE3 LYS 93 1HE LYS 93 -4.037 -18.671 2.871 733 HZ1 LYS 93 1HZ LYS 93 -3.024 -19.984 4.660 734 HZ2 LYS 93 2HZ LYS 93 -3.239 -18.693 5.730 735 HZ3 LYS 93 3HZ LYS 93 -2.207 -18.525 4.404 736 HA PRO 94 HA PRO 94 1.334 -13.396 5.698 737 HB2 PRO 94 2HB PRO 94 0.527 -11.213 7.530 738 HB3 PRO 94 1HB PRO 94 1.855 -11.240 6.356 739 HG2 PRO 94 2HG PRO 94 -0.315 -9.667 6.010 740 HG3 PRO 94 1HG PRO 94 0.554 -10.394 4.638 741 HD2 PRO 94 2HD PRO 94 -1.992 -11.357 5.967 742 HD3 PRO 94 1HD PRO 94 -1.635 -11.174 4.232 743 H SER 95 H SER 95 -0.080 -15.400 6.298 744 HA SER 95 HA SER 95 -1.316 -15.444 8.910 745 HB2 SER 95 2HB SER 95 -0.609 -17.777 7.080 746 HB3 SER 95 1HB SER 95 -1.773 -17.788 8.405 747 HG SER 95 HG SER 95 -2.693 -15.930 6.974 748 H GLU 96 H GLU 96 -0.035 -15.450 10.714 749 HA GLU 96 HA GLU 96 2.759 -16.120 10.557 750 HB2 GLU 96 2HB GLU 96 1.972 -14.198 11.906 751 HB3 GLU 96 1HB GLU 96 1.135 -15.300 12.993 752 HG2 GLU 96 2HG GLU 96 3.190 -16.202 13.830 753 HG3 GLU 96 1HG GLU 96 4.130 -15.466 12.534 754 H THR 97 H THR 97 0.124 -17.421 12.720 755 HA THR 97 HA THR 97 1.931 -19.594 13.475 756 HB THR 97 HB THR 97 0.579 -18.431 15.229 757 HG1 THR 97 HG1 THR 97 1.393 -20.650 15.424 758 HG21 THR 97 1HG2 THR 97 -1.786 -19.053 15.588 759 HG22 THR 97 2HG2 THR 97 -1.802 -19.929 14.057 760 HG23 THR 97 3HG2 THR 97 -1.595 -18.176 14.069 761 H LEU 98 H LEU 98 -1.098 -19.248 11.648 762 HA LEU 98 HA LEU 98 -1.426 -22.155 11.416 763 HB2 LEU 98 2HB LEU 98 -3.314 -20.429 11.986 764 HB3 LEU 98 1HB LEU 98 -3.305 -20.052 10.276 765 HG LEU 98 HG LEU 98 -5.133 -21.626 10.955 766 HD11 LEU 98 1HD1 LEU 98 -3.192 -22.874 8.999 767 HD12 LEU 98 2HD1 LEU 98 -4.420 -21.663 8.633 768 HD13 LEU 98 3HD1 LEU 98 -4.906 -23.268 9.165 769 HD21 LEU 98 1HD2 LEU 98 -2.921 -23.617 11.542 770 HD22 LEU 98 2HD2 LEU 98 -4.657 -23.941 11.563 771 HD23 LEU 98 3HD2 LEU 98 -3.958 -22.831 12.737 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 13.345 -4.310 -7.254 2 H2 ALA 1 2H ALA 1 12.530 -4.696 -8.680 3 H3 ALA 1 3H ALA 1 11.695 -4.627 -7.213 4 HA ALA 1 HA ALA 1 11.291 -2.679 -8.625 5 HB1 ALA 1 1HB ALA 1 11.608 -0.994 -6.846 6 HB2 ALA 1 2HB ALA 1 12.731 -2.079 -6.015 7 HB3 ALA 1 3HB ALA 1 11.033 -2.526 -6.184 8 H GLU 2 H GLU 2 14.316 -3.802 -8.712 9 HA GLU 2 HA GLU 2 16.203 -2.015 -9.363 10 HB2 GLU 2 2HB GLU 2 17.132 -3.708 -10.883 11 HB3 GLU 2 1HB GLU 2 16.480 -4.463 -9.439 12 HG2 GLU 2 2HG GLU 2 15.261 -4.463 -12.212 13 HG3 GLU 2 1HG GLU 2 15.965 -5.831 -11.360 14 H GLN 3 H GLN 3 13.309 -2.552 -11.316 15 HA GLN 3 HA GLN 3 13.905 -1.300 -13.720 16 HB2 GLN 3 2HB GLN 3 11.352 -1.224 -12.059 17 HB3 GLN 3 1HB GLN 3 11.440 -0.565 -13.687 18 HG2 GLN 3 2HG GLN 3 12.056 -3.461 -13.033 19 HG3 GLN 3 1HG GLN 3 10.452 -2.886 -13.490 20 HE21 GLN 3 1HE2 GLN 3 10.107 -2.166 -15.618 21 HE22 GLN 3 2HE2 GLN 3 11.185 -2.575 -16.907 22 H SER 4 H SER 4 15.074 0.534 -13.842 23 HA SER 4 HA SER 4 14.306 2.947 -12.303 24 HB2 SER 4 2HB SER 4 16.620 3.739 -12.953 25 HB3 SER 4 1HB SER 4 16.620 2.279 -11.962 26 HG SER 4 HG SER 4 16.810 2.278 -14.799 27 H ASP 5 H ASP 5 14.312 1.474 -15.376 28 HA ASP 5 HA ASP 5 14.426 3.732 -17.106 29 HB2 ASP 5 2HB ASP 5 13.171 0.980 -17.601 30 HB3 ASP 5 1HB ASP 5 13.610 2.152 -18.841 31 H LYS 6 H LYS 6 11.711 1.617 -16.216 32 HA LYS 6 HA LYS 6 9.747 3.709 -16.885 33 HB2 LYS 6 2HB LYS 6 9.374 0.708 -16.458 34 HB3 LYS 6 1HB LYS 6 8.101 1.845 -16.907 35 HG2 LYS 6 2HG LYS 6 9.305 2.335 -19.026 36 HG3 LYS 6 1HG LYS 6 10.535 1.142 -18.583 37 HD2 LYS 6 2HD LYS 6 8.835 -0.646 -18.608 38 HD3 LYS 6 1HD LYS 6 7.574 0.534 -18.973 39 HE2 LYS 6 2HE LYS 6 8.703 1.036 -21.130 40 HE3 LYS 6 1HE LYS 6 9.921 -0.184 -20.761 41 HZ1 LYS 6 1HZ LYS 6 8.194 -1.867 -20.764 42 HZ2 LYS 6 2HZ LYS 6 8.196 -1.027 -22.229 43 HZ3 LYS 6 3HZ LYS 6 7.016 -0.702 -21.073 44 H ASP 7 H ASP 7 7.920 3.971 -15.504 45 HA ASP 7 HA ASP 7 8.505 4.389 -12.761 46 HB2 ASP 7 2HB ASP 7 5.745 4.333 -14.081 47 HB3 ASP 7 1HB ASP 7 6.159 5.115 -12.559 48 H VAL 8 H VAL 8 7.111 1.719 -14.515 49 HA VAL 8 HA VAL 8 5.866 0.386 -12.300 50 HB VAL 8 HB VAL 8 5.625 -1.569 -13.882 51 HG11 VAL 8 1HG1 VAL 8 3.999 -0.419 -15.376 52 HG12 VAL 8 2HG1 VAL 8 4.696 1.141 -14.925 53 HG13 VAL 8 3HG1 VAL 8 3.883 0.153 -13.709 54 HG21 VAL 8 1HG2 VAL 8 6.186 -1.255 -16.292 55 HG22 VAL 8 2HG2 VAL 8 7.634 -1.248 -15.283 56 HG23 VAL 8 3HG2 VAL 8 6.988 0.273 -15.899 57 H LYS 9 H LYS 9 7.580 0.487 -10.808 58 HA LYS 9 HA LYS 9 9.913 -1.227 -11.069 59 HB2 LYS 9 2HB LYS 9 8.854 0.263 -8.629 60 HB3 LYS 9 1HB LYS 9 10.467 -0.427 -8.820 61 HG2 LYS 9 2HG LYS 9 11.001 1.217 -10.564 62 HG3 LYS 9 1HG LYS 9 9.358 1.861 -10.493 63 HD2 LYS 9 2HD LYS 9 10.854 3.338 -9.260 64 HD3 LYS 9 1HD LYS 9 9.749 2.554 -8.129 65 HE2 LYS 9 2HE LYS 9 11.993 2.611 -7.191 66 HE3 LYS 9 1HE LYS 9 11.561 0.938 -7.547 67 HZ1 LYS 9 1HZ LYS 9 13.800 1.394 -8.243 68 HZ2 LYS 9 2HZ LYS 9 13.298 2.690 -9.199 69 HZ3 LYS 9 3HZ LYS 9 12.846 1.118 -9.609 70 H TYR 10 H TYR 10 9.832 -3.359 -10.613 71 HA TYR 10 HA TYR 10 7.469 -4.595 -9.553 72 HB2 TYR 10 2HB TYR 10 10.137 -5.689 -10.505 73 HB3 TYR 10 1HB TYR 10 8.922 -6.733 -9.775 74 HD1 TYR 10 HD1 TYR 10 9.490 -4.387 -12.649 75 HD2 TYR 10 HD2 TYR 10 7.111 -7.566 -11.060 76 HE1 TYR 10 HE1 TYR 10 8.401 -4.662 -14.835 77 HE2 TYR 10 HE2 TYR 10 6.021 -7.838 -13.242 78 HH TYR 10 HH TYR 10 5.578 -6.383 -15.270 79 H TYR 11 H TYR 11 7.217 -3.932 -7.450 80 HA TYR 11 HA TYR 11 9.314 -4.056 -5.466 81 HB2 TYR 11 2HB TYR 11 6.481 -3.123 -5.580 82 HB3 TYR 11 1HB TYR 11 6.919 -3.800 -4.024 83 HD1 TYR 11 HD1 TYR 11 7.900 -1.167 -6.511 84 HD2 TYR 11 HD2 TYR 11 8.180 -2.550 -2.470 85 HE1 TYR 11 HE1 TYR 11 8.951 0.954 -5.856 86 HE2 TYR 11 HE2 TYR 11 9.227 -0.439 -1.815 87 HH TYR 11 HH TYR 11 10.478 1.368 -2.807 88 H THR 12 H THR 12 9.273 -5.345 -3.584 89 HA THR 12 HA THR 12 8.093 -8.042 -3.916 90 HB THR 12 HB THR 12 10.538 -7.067 -2.364 91 HG1 THR 12 HG1 THR 12 10.143 -8.404 -4.809 92 HG21 THR 12 1HG2 THR 12 9.471 -8.925 -1.128 93 HG22 THR 12 2HG2 THR 12 11.010 -9.426 -1.833 94 HG23 THR 12 3HG2 THR 12 9.496 -9.908 -2.597 95 H LEU 13 H LEU 13 6.424 -8.525 -2.562 96 HA LEU 13 HA LEU 13 5.353 -6.657 -0.718 97 HB2 LEU 13 2HB LEU 13 4.120 -8.392 -2.140 98 HB3 LEU 13 1HB LEU 13 4.604 -9.593 -0.959 99 HG LEU 13 HG LEU 13 3.269 -8.429 0.788 100 HD11 LEU 13 1HD1 LEU 13 2.442 -6.505 -1.416 101 HD12 LEU 13 2HD1 LEU 13 3.456 -6.118 -0.019 102 HD13 LEU 13 3HD1 LEU 13 1.770 -6.571 0.218 103 HD21 LEU 13 1HD2 LEU 13 1.038 -8.965 -0.081 104 HD22 LEU 13 2HD2 LEU 13 2.205 -10.195 -0.566 105 HD23 LEU 13 3HD2 LEU 13 1.665 -8.984 -1.733 106 H GLU 14 H GLU 14 7.592 -9.310 -0.342 107 HA GLU 14 HA GLU 14 7.363 -9.728 2.464 108 HB2 GLU 14 2HB GLU 14 8.410 -11.336 0.869 109 HB3 GLU 14 1HB GLU 14 9.772 -10.238 0.669 110 HG2 GLU 14 2HG GLU 14 10.414 -10.513 3.001 111 HG3 GLU 14 1HG GLU 14 8.961 -11.450 3.334 112 H GLU 15 H GLU 15 9.099 -7.372 0.535 113 HA GLU 15 HA GLU 15 10.677 -6.235 2.632 114 HB2 GLU 15 2HB GLU 15 9.595 -4.858 0.135 115 HB3 GLU 15 1HB GLU 15 10.936 -4.303 1.133 116 HG2 GLU 15 2HG GLU 15 10.874 -6.800 -0.575 117 HG3 GLU 15 1HG GLU 15 11.736 -5.311 -0.940 118 H ILE 16 H ILE 16 7.419 -5.745 1.407 119 HA ILE 16 HA ILE 16 6.876 -3.395 2.999 120 HB ILE 16 HB ILE 16 4.729 -4.993 1.538 121 HG12 ILE 16 2HG1 ILE 16 6.602 -2.972 0.190 122 HG13 ILE 16 1HG1 ILE 16 6.657 -4.712 -0.068 123 HG21 ILE 16 1HG2 ILE 16 4.057 -3.091 2.968 124 HG22 ILE 16 2HG2 ILE 16 3.710 -2.763 1.272 125 HG23 ILE 16 3HG2 ILE 16 5.108 -2.013 2.045 126 HD11 ILE 16 1HD1 ILE 16 5.522 -3.576 -1.883 127 HD12 ILE 16 2HD1 ILE 16 4.339 -2.908 -0.757 128 HD13 ILE 16 3HD1 ILE 16 4.416 -4.652 -1.026 129 H GLN 17 H GLN 17 6.731 -6.800 3.467 130 HA GLN 17 HA GLN 17 4.830 -7.050 5.538 131 HB2 GLN 17 2HB GLN 17 5.931 -9.014 4.484 132 HB3 GLN 17 1HB GLN 17 7.477 -8.533 5.170 133 HG2 GLN 17 2HG GLN 17 6.481 -8.871 7.463 134 HG3 GLN 17 1HG GLN 17 5.037 -9.516 6.680 135 HE21 GLN 17 1HE2 GLN 17 5.177 -11.557 5.625 136 HE22 GLN 17 2HE2 GLN 17 6.485 -12.642 5.921 137 H LYS 18 H LYS 18 8.204 -5.998 5.503 138 HA LYS 18 HA LYS 18 8.250 -5.244 8.313 139 HB2 LYS 18 2HB LYS 18 10.234 -6.118 6.865 140 HB3 LYS 18 1HB LYS 18 10.292 -4.513 6.163 141 HG2 LYS 18 2HG LYS 18 10.569 -5.006 9.142 142 HG3 LYS 18 1HG LYS 18 11.947 -5.051 8.046 143 HD2 LYS 18 2HD LYS 18 11.397 -2.671 7.383 144 HD3 LYS 18 1HD LYS 18 10.157 -2.660 8.640 145 HE2 LYS 18 2HE LYS 18 11.853 -2.991 10.364 146 HE3 LYS 18 1HE LYS 18 13.110 -3.158 9.134 147 HZ1 LYS 18 1HZ LYS 18 12.775 -0.880 8.488 148 HZ2 LYS 18 2HZ LYS 18 13.048 -0.945 10.156 149 HZ3 LYS 18 3HZ LYS 18 11.489 -0.716 9.562 150 H HIS 19 H HIS 19 6.322 -3.946 8.188 151 HA HIS 19 HA HIS 19 6.645 -1.235 7.004 152 HB2 HIS 19 2HB HIS 19 4.180 -1.158 6.689 153 HB3 HIS 19 1HB HIS 19 4.904 -2.477 5.776 154 HD1 HIS 19 HD1 HIS 19 4.306 -4.887 6.494 155 HD2 HIS 19 HD2 HIS 19 2.439 -1.967 8.777 156 HE1 HIS 19 HE1 HIS 19 2.591 -6.103 7.868 157 HE2 HIS 19 HE2 HIS 19 1.330 -4.274 9.055 158 H LYS 20 H LYS 20 7.224 -2.471 9.708 159 HA LYS 20 HA LYS 20 5.569 -1.413 11.722 160 HB2 LYS 20 2HB LYS 20 7.341 -3.059 12.177 161 HB3 LYS 20 1HB LYS 20 8.578 -1.909 11.682 162 HG2 LYS 20 2HG LYS 20 8.016 -0.469 13.622 163 HG3 LYS 20 1HG LYS 20 6.770 -1.622 14.110 164 HD2 LYS 20 2HD LYS 20 8.791 -1.929 15.461 165 HD3 LYS 20 1HD LYS 20 8.507 -3.354 14.459 166 HE2 LYS 20 2HE LYS 20 10.248 -2.618 12.888 167 HE3 LYS 20 1HE LYS 20 10.493 -1.140 13.823 168 HZ1 LYS 20 1HZ LYS 20 11.242 -2.456 15.682 169 HZ2 LYS 20 2HZ LYS 20 12.154 -2.851 14.321 170 HZ3 LYS 20 3HZ LYS 20 10.939 -3.892 14.851 171 H ASP 21 H ASP 21 7.988 0.027 9.691 172 HA ASP 21 HA ASP 21 7.999 2.617 11.043 173 HB2 ASP 21 2HB ASP 21 9.621 1.551 8.674 174 HB3 ASP 21 1HB ASP 21 9.825 3.130 9.421 175 H SER 22 H SER 22 6.950 4.313 10.169 176 HA SER 22 HA SER 22 4.958 4.083 8.184 177 HB2 SER 22 2HB SER 22 6.249 6.631 9.256 178 HB3 SER 22 1HB SER 22 4.655 6.492 8.507 179 HG SER 22 HG SER 22 4.516 4.791 10.414 180 H LYS 23 H LYS 23 8.328 4.836 8.012 181 HA LYS 23 HA LYS 23 8.315 6.266 5.501 182 HB2 LYS 23 2HB LYS 23 10.857 6.048 5.712 183 HB3 LYS 23 1HB LYS 23 10.024 6.914 6.993 184 HG2 LYS 23 2HG LYS 23 11.659 5.623 8.096 185 HG3 LYS 23 1HG LYS 23 10.141 4.776 8.371 186 HD2 LYS 23 2HD LYS 23 11.801 3.115 7.907 187 HD3 LYS 23 1HD LYS 23 10.771 3.209 6.479 188 HE2 LYS 23 2HE LYS 23 13.091 3.042 5.788 189 HE3 LYS 23 1HE LYS 23 12.504 4.658 5.391 190 HZ1 LYS 23 1HZ LYS 23 14.718 4.682 6.403 191 HZ2 LYS 23 2HZ LYS 23 14.100 3.969 7.802 192 HZ3 LYS 23 3HZ LYS 23 13.595 5.511 7.350 193 H SER 24 H SER 24 8.217 2.980 6.363 194 HA SER 24 HA SER 24 8.545 2.220 3.523 195 HB2 SER 24 2HB SER 24 9.479 0.609 5.940 196 HB3 SER 24 1HB SER 24 9.497 0.042 4.266 197 HG SER 24 HG SER 24 10.773 2.181 4.021 198 H THR 25 H THR 25 6.278 2.623 3.480 199 HA THR 25 HA THR 25 4.656 0.332 4.355 200 HB THR 25 HB THR 25 3.764 3.241 4.762 201 HG1 THR 25 HG1 THR 25 5.122 1.509 6.410 202 HG21 THR 25 1HG2 THR 25 1.811 2.254 5.910 203 HG22 THR 25 2HG2 THR 25 2.397 0.629 5.552 204 HG23 THR 25 3HG2 THR 25 1.886 1.693 4.238 205 H TRP 26 H TRP 26 3.678 -0.405 2.591 206 HA TRP 26 HA TRP 26 2.684 1.361 0.458 207 HB2 TRP 26 2HB TRP 26 4.402 -1.134 -0.052 208 HB3 TRP 26 1HB TRP 26 3.637 -0.155 -1.293 209 HD1 TRP 26 HD TRP 26 4.712 2.342 -1.684 210 HE1 TRP 26 HE1 TRP 26 7.089 3.216 -1.330 211 HE3 TRP 26 HE3 TRP 26 6.527 -1.365 1.343 212 HZ2 TRP 26 HZ2 TRP 26 9.442 2.442 -0.007 213 HZ3 TRP 26 HZ3 TRP 26 8.864 -1.232 2.097 214 HH2 TRP 26 HH TRP 26 10.295 0.639 1.434 215 H VAL 27 H VAL 27 0.927 0.320 -0.750 216 HA VAL 27 HA VAL 27 -0.102 -2.233 0.375 217 HB VAL 27 HB VAL 27 -2.434 -1.467 0.058 218 HG11 VAL 27 1HG1 VAL 27 -0.865 0.323 1.942 219 HG12 VAL 27 2HG1 VAL 27 -1.487 -1.291 2.296 220 HG13 VAL 27 3HG1 VAL 27 -2.609 0.040 2.007 221 HG21 VAL 27 1HG2 VAL 27 -2.116 0.211 -1.696 222 HG22 VAL 27 2HG2 VAL 27 -1.247 1.264 -0.579 223 HG23 VAL 27 3HG2 VAL 27 -2.962 0.934 -0.324 224 H ILE 28 H ILE 28 -1.348 -3.503 -1.088 225 HA ILE 28 HA ILE 28 -0.947 -2.873 -3.953 226 HB ILE 28 HB ILE 28 -0.335 -5.181 -4.423 227 HG12 ILE 28 2HG1 ILE 28 0.282 -6.580 -2.104 228 HG13 ILE 28 1HG1 ILE 28 -1.170 -5.738 -1.587 229 HG21 ILE 28 1HG2 ILE 28 1.856 -5.281 -3.207 230 HG22 ILE 28 2HG2 ILE 28 1.300 -3.989 -2.151 231 HG23 ILE 28 3HG2 ILE 28 1.498 -3.696 -3.882 232 HD11 ILE 28 1HD1 ILE 28 -0.951 -7.575 -3.968 233 HD12 ILE 28 2HD1 ILE 28 -2.422 -6.771 -3.406 234 HD13 ILE 28 3HD1 ILE 28 -1.631 -7.980 -2.393 235 H LEU 29 H LEU 29 -2.724 -2.978 -5.145 236 HA LEU 29 HA LEU 29 -5.280 -3.512 -3.984 237 HB2 LEU 29 2HB LEU 29 -4.370 -2.809 -6.786 238 HB3 LEU 29 1HB LEU 29 -6.016 -3.353 -6.528 239 HG LEU 29 HG LEU 29 -5.894 -0.896 -6.623 240 HD11 LEU 29 1HD1 LEU 29 -6.657 -1.871 -3.845 241 HD12 LEU 29 2HD1 LEU 29 -7.685 -1.893 -5.281 242 HD13 LEU 29 3HD1 LEU 29 -7.167 -0.356 -4.598 243 HD21 LEU 29 1HD2 LEU 29 -4.783 0.446 -4.896 244 HD22 LEU 29 2HD2 LEU 29 -3.616 -0.559 -5.751 245 HD23 LEU 29 3HD2 LEU 29 -4.152 -1.021 -4.137 246 H HIS 30 H HIS 30 -3.114 -5.291 -6.112 247 HA HIS 30 HA HIS 30 -3.937 -7.807 -5.253 248 HB2 HIS 30 2HB HIS 30 -5.996 -7.262 -6.697 249 HB3 HIS 30 1HB HIS 30 -4.943 -7.314 -8.108 250 HD1 HIS 30 HD1 HIS 30 -4.698 -9.581 -9.161 251 HD2 HIS 30 HD2 HIS 30 -6.010 -9.841 -5.230 252 HE1 HIS 30 HE1 HIS 30 -5.209 -12.004 -8.781 253 HE2 HIS 30 HE2 HIS 30 -5.983 -12.135 -6.397 254 H HIS 31 H HIS 31 -2.679 -5.982 -8.033 255 HA HIS 31 HA HIS 31 -0.340 -7.805 -8.173 256 HB2 HIS 31 2HB HIS 31 -1.867 -8.165 -10.130 257 HB3 HIS 31 1HB HIS 31 -1.714 -6.462 -10.555 258 HD1 HIS 31 HD1 HIS 31 0.235 -9.688 -10.501 259 HD2 HIS 31 HD2 HIS 31 0.677 -5.806 -11.903 260 HE1 HIS 31 HE1 HIS 31 2.322 -9.701 -11.875 261 HE2 HIS 31 HE2 HIS 31 2.622 -7.316 -12.627 262 H LYS 32 H LYS 32 -1.498 -4.504 -8.089 263 HA LYS 32 HA LYS 32 1.190 -3.491 -8.856 264 HB2 LYS 32 2HB LYS 32 -0.714 -2.887 -10.366 265 HB3 LYS 32 1HB LYS 32 -1.492 -2.046 -9.029 266 HG2 LYS 32 2HG LYS 32 0.178 -0.352 -8.977 267 HG3 LYS 32 1HG LYS 32 1.297 -1.301 -9.949 268 HD2 LYS 32 2HD LYS 32 -1.334 -0.198 -11.008 269 HD3 LYS 32 1HD LYS 32 0.217 0.624 -11.169 270 HE2 LYS 32 2HE LYS 32 1.103 -1.309 -12.442 271 HE3 LYS 32 1HE LYS 32 -0.464 -2.107 -12.309 272 HZ1 LYS 32 1HZ LYS 32 -1.410 -0.142 -13.497 273 HZ2 LYS 32 2HZ LYS 32 -0.356 -1.084 -14.418 274 HZ3 LYS 32 3HZ LYS 32 0.168 0.386 -13.782 275 H VAL 33 H VAL 33 2.151 -1.864 -7.630 276 HA VAL 33 HA VAL 33 1.252 -1.762 -4.811 277 HB VAL 33 HB VAL 33 3.414 -2.974 -5.210 278 HG11 VAL 33 1HG1 VAL 33 4.275 -1.712 -7.127 279 HG12 VAL 33 2HG1 VAL 33 5.457 -1.736 -5.824 280 HG13 VAL 33 3HG1 VAL 33 4.500 -0.285 -6.117 281 HG21 VAL 33 1HG2 VAL 33 2.987 -1.933 -3.033 282 HG22 VAL 33 2HG2 VAL 33 3.695 -0.417 -3.593 283 HG23 VAL 33 3HG2 VAL 33 4.709 -1.854 -3.426 284 H TYR 34 H TYR 34 1.124 0.167 -3.785 285 HA TYR 34 HA TYR 34 1.729 2.682 -5.217 286 HB2 TYR 34 2HB TYR 34 -0.859 1.985 -3.736 287 HB3 TYR 34 1HB TYR 34 -0.431 3.616 -4.252 288 HD1 TYR 34 HD1 TYR 34 -1.444 0.245 -5.444 289 HD2 TYR 34 HD2 TYR 34 -0.577 4.269 -6.595 290 HE1 TYR 34 HE1 TYR 34 -2.436 -0.170 -7.649 291 HE2 TYR 34 HE2 TYR 34 -1.575 3.846 -8.795 292 HH TYR 34 HH TYR 34 -2.057 1.935 -10.262 293 H ASP 35 H ASP 35 2.391 4.347 -3.933 294 HA ASP 35 HA ASP 35 3.741 3.713 -1.542 295 HB2 ASP 35 2HB ASP 35 4.546 5.454 -3.195 296 HB3 ASP 35 1HB ASP 35 3.227 6.498 -2.673 297 H LEU 36 H LEU 36 2.938 3.632 0.389 298 HA LEU 36 HA LEU 36 0.448 5.055 1.072 299 HB2 LEU 36 2HB LEU 36 0.953 2.362 1.255 300 HB3 LEU 36 1HB LEU 36 1.471 2.863 2.850 301 HG LEU 36 HG LEU 36 -0.863 2.089 2.879 302 HD11 LEU 36 1HD1 LEU 36 -1.937 3.961 3.976 303 HD12 LEU 36 2HD1 LEU 36 -0.757 5.084 3.300 304 HD13 LEU 36 3HD1 LEU 36 -0.246 3.858 4.463 305 HD21 LEU 36 1HD2 LEU 36 -1.481 4.354 0.956 306 HD22 LEU 36 2HD2 LEU 36 -2.634 3.212 1.656 307 HD23 LEU 36 3HD2 LEU 36 -1.408 2.646 0.530 308 H THR 37 H THR 37 3.817 4.757 1.703 309 HA THR 37 HA THR 37 4.304 5.554 4.255 310 HB THR 37 HB THR 37 5.736 6.137 1.643 311 HG1 THR 37 HG1 THR 37 6.209 4.406 3.852 312 HG21 THR 37 1HG2 THR 37 6.448 7.964 3.127 313 HG22 THR 37 2HG2 THR 37 7.755 6.799 2.920 314 HG23 THR 37 3HG2 THR 37 6.810 6.807 4.411 315 H LYS 38 H LYS 38 3.589 7.696 1.521 316 HA LYS 38 HA LYS 38 3.577 10.093 3.186 317 HB2 LYS 38 2HB LYS 38 4.511 10.126 0.888 318 HB3 LYS 38 1HB LYS 38 2.947 9.680 0.239 319 HG2 LYS 38 2HG LYS 38 3.243 12.006 -0.158 320 HG3 LYS 38 1HG LYS 38 2.015 11.847 1.089 321 HD2 LYS 38 2HD LYS 38 4.896 12.362 1.876 322 HD3 LYS 38 1HD LYS 38 3.904 13.690 1.277 323 HE2 LYS 38 2HE LYS 38 3.376 11.991 3.732 324 HE3 LYS 38 1HE LYS 38 3.832 13.692 3.694 325 HZ1 LYS 38 1HZ LYS 38 1.497 13.499 4.099 326 HZ2 LYS 38 2HZ LYS 38 1.265 12.527 2.738 327 HZ3 LYS 38 3HZ LYS 38 1.706 14.148 2.557 328 H PHE 39 H PHE 39 1.302 8.003 1.468 329 HA PHE 39 HA PHE 39 -1.023 9.548 1.545 330 HB2 PHE 39 2HB PHE 39 -0.705 7.607 0.076 331 HB3 PHE 39 1HB PHE 39 -0.678 6.520 1.457 332 HD1 PHE 39 HD1 PHE 39 -2.886 8.796 -0.528 333 HD2 PHE 39 HD2 PHE 39 -2.731 5.641 2.355 334 HE1 PHE 39 HE1 PHE 39 -5.314 8.446 -0.745 335 HE2 PHE 39 HE2 PHE 39 -5.147 5.305 2.124 336 HZ PHE 39 HZ PHE 39 -6.437 6.706 0.581 337 H LEU 40 H LEU 40 0.377 7.578 4.086 338 HA LEU 40 HA LEU 40 -2.002 7.400 5.685 339 HB2 LEU 40 2HB LEU 40 -0.421 6.552 7.470 340 HB3 LEU 40 1HB LEU 40 -0.492 5.638 5.982 341 HG LEU 40 HG LEU 40 1.700 6.889 5.314 342 HD11 LEU 40 1HD1 LEU 40 1.714 8.625 7.006 343 HD12 LEU 40 2HD1 LEU 40 3.148 7.611 7.161 344 HD13 LEU 40 3HD1 LEU 40 1.799 7.419 8.292 345 HD21 LEU 40 1HD2 LEU 40 1.651 4.508 5.822 346 HD22 LEU 40 2HD2 LEU 40 1.761 4.845 7.550 347 HD23 LEU 40 3HD2 LEU 40 3.110 5.245 6.484 348 H GLU 41 H GLU 41 0.545 9.742 5.356 349 HA GLU 41 HA GLU 41 0.064 11.179 7.786 350 HB2 GLU 41 2HB GLU 41 1.492 11.947 5.213 351 HB3 GLU 41 1HB GLU 41 1.370 13.035 6.594 352 HG2 GLU 41 2HG GLU 41 2.683 10.302 6.629 353 HG3 GLU 41 1HG GLU 41 3.529 11.843 6.509 354 H GLU 42 H GLU 42 -1.457 11.154 4.646 355 HA GLU 42 HA GLU 42 -2.856 13.582 4.715 356 HB2 GLU 42 2HB GLU 42 -3.280 10.908 3.395 357 HB3 GLU 42 1HB GLU 42 -4.624 12.029 3.393 358 HG2 GLU 42 2HG GLU 42 -3.152 12.057 1.326 359 HG3 GLU 42 1HG GLU 42 -3.472 13.616 2.078 360 H PHE 43 H PHE 43 -3.433 10.569 6.428 361 HA PHE 43 HA PHE 43 -5.925 11.528 7.643 362 HB2 PHE 43 2HB PHE 43 -4.405 8.997 8.393 363 HB3 PHE 43 1HB PHE 43 -6.115 9.346 8.636 364 HD1 PHE 43 HD1 PHE 43 -7.477 9.798 6.399 365 HD2 PHE 43 HD2 PHE 43 -3.811 7.616 6.610 366 HE1 PHE 43 HE1 PHE 43 -7.979 8.748 4.235 367 HE2 PHE 43 HE2 PHE 43 -4.321 6.565 4.450 368 HZ PHE 43 HZ PHE 43 -6.401 7.137 3.269 369 HA PRO 44 HA PRO 44 -3.396 13.464 10.945 370 HB2 PRO 44 2HB PRO 44 -6.048 13.675 12.348 371 HB3 PRO 44 1HB PRO 44 -4.879 14.954 11.949 372 HG2 PRO 44 2HG PRO 44 -7.165 14.747 10.607 373 HG3 PRO 44 1HG PRO 44 -5.667 15.188 9.758 374 HD2 PRO 44 2HD PRO 44 -7.064 12.507 9.867 375 HD3 PRO 44 1HD PRO 44 -6.327 13.339 8.475 376 H GLY 45 H GLY 45 -2.299 11.645 11.598 377 HA2 GLY 45 2HA GLY 45 -1.592 10.016 13.053 378 HA3 GLY 45 1HA GLY 45 -2.962 10.402 14.088 379 H GLY 46 H GLY 46 -2.834 9.231 10.704 380 HA2 GLY 46 2HA GLY 46 -4.630 6.978 11.475 381 HA3 GLY 46 1HA GLY 46 -4.821 7.922 10.009 382 H GLU 47 H GLU 47 -1.606 7.241 10.959 383 HA GLU 47 HA GLU 47 -1.066 5.357 8.882 384 HB2 GLU 47 2HB GLU 47 0.699 6.790 9.599 385 HB3 GLU 47 1HB GLU 47 0.464 6.402 11.289 386 HG2 GLU 47 2HG GLU 47 1.389 4.231 9.420 387 HG3 GLU 47 1HG GLU 47 2.535 5.470 9.925 388 H GLU 48 H GLU 48 -1.687 5.154 12.336 389 HA GLU 48 HA GLU 48 -1.114 2.419 12.735 390 HB2 GLU 48 2HB GLU 48 -2.310 2.751 14.904 391 HB3 GLU 48 1HB GLU 48 -1.088 3.972 14.569 392 HG2 GLU 48 2HG GLU 48 -2.924 5.516 13.796 393 HG3 GLU 48 1HG GLU 48 -4.099 4.309 14.319 394 H VAL 49 H VAL 49 -3.983 3.948 11.435 395 HA VAL 49 HA VAL 49 -5.800 1.804 12.142 396 HB VAL 49 HB VAL 49 -6.562 4.187 11.896 397 HG11 VAL 49 1HG1 VAL 49 -5.308 4.850 9.918 398 HG12 VAL 49 2HG1 VAL 49 -7.030 5.135 9.678 399 HG13 VAL 49 3HG1 VAL 49 -6.250 3.747 8.917 400 HG21 VAL 49 1HG2 VAL 49 -8.732 3.685 10.822 401 HG22 VAL 49 2HG2 VAL 49 -8.220 2.371 11.882 402 HG23 VAL 49 3HG2 VAL 49 -8.051 2.207 10.133 403 H LEU 50 H LEU 50 -3.737 2.559 9.423 404 HA LEU 50 HA LEU 50 -4.943 0.425 7.748 405 HB2 LEU 50 2HB LEU 50 -3.502 1.482 5.918 406 HB3 LEU 50 1HB LEU 50 -4.849 2.421 6.525 407 HG LEU 50 HG LEU 50 -3.044 3.580 8.066 408 HD11 LEU 50 1HD1 LEU 50 -1.158 2.134 7.621 409 HD12 LEU 50 2HD1 LEU 50 -0.802 3.767 7.064 410 HD13 LEU 50 3HD1 LEU 50 -1.220 2.507 5.898 411 HD21 LEU 50 1HD2 LEU 50 -4.316 4.748 6.357 412 HD22 LEU 50 2HD2 LEU 50 -3.199 4.195 5.106 413 HD23 LEU 50 3HD2 LEU 50 -2.640 5.294 6.369 414 H ARG 51 H ARG 51 -2.215 1.191 9.642 415 HA ARG 51 HA ARG 51 -0.028 -0.156 8.753 416 HB2 ARG 51 2HB ARG 51 -0.157 1.206 10.809 417 HB3 ARG 51 1HB ARG 51 -1.171 -0.007 11.580 418 HG2 ARG 51 2HG ARG 51 0.790 -1.595 11.509 419 HG3 ARG 51 1HG ARG 51 1.775 -0.270 10.876 420 HD2 ARG 51 2HD ARG 51 1.216 1.062 12.932 421 HD3 ARG 51 1HD ARG 51 0.353 -0.340 13.564 422 HE ARG 51 HE ARG 51 2.406 -1.466 13.853 423 HH11 ARG 51 1HH1 ARG 51 2.870 1.834 12.746 424 HH12 ARG 51 2HH1 ARG 51 4.533 1.896 13.249 425 HH21 ARG 51 1HH2 ARG 51 4.554 -1.366 14.535 426 HH22 ARG 51 2HH2 ARG 51 5.478 0.079 14.266 427 H GLU 52 H GLU 52 -2.907 -1.541 10.160 428 HA GLU 52 HA GLU 52 -1.908 -4.107 10.808 429 HB2 GLU 52 2HB GLU 52 -4.809 -3.343 10.296 430 HB3 GLU 52 1HB GLU 52 -4.215 -4.669 11.293 431 HG2 GLU 52 2HG GLU 52 -4.043 -1.697 11.875 432 HG3 GLU 52 1HG GLU 52 -4.955 -2.913 12.762 433 H GLN 53 H GLN 53 -3.685 -2.865 7.981 434 HA GLN 53 HA GLN 53 -3.519 -5.499 6.631 435 HB2 GLN 53 2HB GLN 53 -5.238 -3.066 5.997 436 HB3 GLN 53 1HB GLN 53 -5.304 -4.609 5.148 437 HG2 GLN 53 2HG GLN 53 -6.156 -5.722 7.141 438 HG3 GLN 53 1HG GLN 53 -5.935 -4.255 8.096 439 HE21 GLN 53 1HE2 GLN 53 -8.129 -4.242 8.682 440 HE22 GLN 53 2HE2 GLN 53 -9.365 -3.767 7.575 441 H ALA 54 H ALA 54 -1.787 -2.668 6.764 442 HA ALA 54 HA ALA 54 -1.135 -2.273 3.982 443 HB1 ALA 54 1HB ALA 54 0.663 -0.803 4.822 444 HB2 ALA 54 2HB ALA 54 0.372 -1.365 6.470 445 HB3 ALA 54 3HB ALA 54 -0.869 -0.440 5.622 446 H GLY 55 H GLY 55 0.698 -3.023 2.864 447 HA2 GLY 55 2HA GLY 55 2.407 -4.488 2.329 448 HA3 GLY 55 1HA GLY 55 2.572 -4.891 4.031 449 H GLY 56 H GLY 56 -0.471 -5.105 2.322 450 HA2 GLY 56 2HA GLY 56 -0.268 -7.901 1.638 451 HA3 GLY 56 1HA GLY 56 -1.247 -7.607 3.073 452 H ASP 57 H ASP 57 -2.589 -5.276 2.455 453 HA ASP 57 HA ASP 57 -4.254 -6.092 0.136 454 HB2 ASP 57 2HB ASP 57 -5.228 -7.018 2.246 455 HB3 ASP 57 1HB ASP 57 -5.299 -5.382 2.921 456 H ALA 58 H ALA 58 -5.713 -4.485 -0.655 457 HA ALA 58 HA ALA 58 -5.640 -1.768 0.340 458 HB1 ALA 58 1HB ALA 58 -4.993 -0.726 -1.760 459 HB2 ALA 58 2HB ALA 58 -4.795 -2.305 -2.527 460 HB3 ALA 58 3HB ALA 58 -3.717 -1.815 -1.220 461 H THR 59 H THR 59 -7.162 -4.331 -1.478 462 HA THR 59 HA THR 59 -9.126 -2.899 -2.913 463 HB THR 59 HB THR 59 -10.542 -5.003 -2.772 464 HG1 THR 59 HG1 THR 59 -8.321 -6.132 -1.395 465 HG21 THR 59 1HG2 THR 59 -8.905 -4.742 -4.601 466 HG22 THR 59 2HG2 THR 59 -9.050 -6.426 -4.095 467 HG23 THR 59 3HG2 THR 59 -7.659 -5.475 -3.579 468 H GLU 60 H GLU 60 -9.126 -4.204 0.384 469 HA GLU 60 HA GLU 60 -11.622 -2.827 1.042 470 HB2 GLU 60 2HB GLU 60 -9.849 -4.478 2.893 471 HB3 GLU 60 1HB GLU 60 -11.526 -4.010 3.155 472 HG2 GLU 60 2HG GLU 60 -10.468 -6.008 1.140 473 HG3 GLU 60 1HG GLU 60 -11.431 -6.359 2.571 474 H ASN 61 H ASN 61 -8.216 -2.971 2.114 475 HA ASN 61 HA ASN 61 -8.391 -1.230 4.264 476 HB2 ASN 61 2HB ASN 61 -6.552 -2.798 4.014 477 HB3 ASN 61 1HB ASN 61 -5.979 -1.978 2.567 478 HD21 ASN 61 1HD2 ASN 61 -4.596 -0.251 2.809 479 HD22 ASN 61 2HD2 ASN 61 -4.072 0.360 4.331 480 H PHE 62 H PHE 62 -7.143 -0.438 1.003 481 HA PHE 62 HA PHE 62 -6.155 2.126 1.596 482 HB2 PHE 62 2HB PHE 62 -5.443 0.744 -0.327 483 HB3 PHE 62 1HB PHE 62 -7.019 0.932 -1.074 484 HD1 PHE 62 HD1 PHE 62 -7.527 2.898 -2.402 485 HD2 PHE 62 HD2 PHE 62 -3.872 2.698 -0.189 486 HE1 PHE 62 HE1 PHE 62 -6.667 4.844 -3.628 487 HE2 PHE 62 HE2 PHE 62 -3.025 4.653 -1.419 488 HZ PHE 62 HZ PHE 62 -4.421 5.722 -3.139 489 H GLU 63 H GLU 63 -9.410 1.110 0.874 490 HA GLU 63 HA GLU 63 -10.335 3.915 0.548 491 HB2 GLU 63 2HB GLU 63 -10.710 2.455 -1.422 492 HB3 GLU 63 1HB GLU 63 -11.648 1.341 -0.433 493 HG2 GLU 63 2HG GLU 63 -13.420 2.947 -0.160 494 HG3 GLU 63 1HG GLU 63 -12.429 4.247 -0.825 495 H ASP 64 H ASP 64 -10.433 1.151 2.613 496 HA ASP 64 HA ASP 64 -12.899 1.738 4.003 497 HB2 ASP 64 2HB ASP 64 -11.952 -0.558 4.038 498 HB3 ASP 64 1HB ASP 64 -10.512 0.024 4.864 499 H VAL 65 H VAL 65 -9.453 2.183 4.694 500 HA VAL 65 HA VAL 65 -9.919 4.061 6.873 501 HB VAL 65 HB VAL 65 -7.530 4.172 7.129 502 HG11 VAL 65 1HG1 VAL 65 -6.895 1.801 7.407 503 HG12 VAL 65 2HG1 VAL 65 -8.269 1.308 6.411 504 HG13 VAL 65 3HG1 VAL 65 -8.542 2.103 7.966 505 HG21 VAL 65 1HG2 VAL 65 -7.224 2.788 4.432 506 HG22 VAL 65 2HG2 VAL 65 -5.904 3.155 5.541 507 HG23 VAL 65 3HG2 VAL 65 -6.819 4.464 4.802 508 H GLY 66 H GLY 66 -9.412 4.090 3.453 509 HA2 GLY 66 2HA GLY 66 -8.240 6.667 3.135 510 HA3 GLY 66 1HA GLY 66 -8.919 5.651 1.880 511 H PHE 67 H PHE 67 -9.153 8.487 2.111 512 HA PHE 67 HA PHE 67 -11.735 9.297 2.989 513 HB2 PHE 67 2HB PHE 67 -9.981 10.524 0.822 514 HB3 PHE 67 1HB PHE 67 -11.294 11.328 1.664 515 HD1 PHE 67 HD1 PHE 67 -10.976 11.216 4.389 516 HD2 PHE 67 HD2 PHE 67 -7.822 11.168 1.478 517 HE1 PHE 67 HE1 PHE 67 -9.411 12.127 6.051 518 HE2 PHE 67 HE2 PHE 67 -6.274 12.069 3.162 519 HZ PHE 67 HZ PHE 67 -7.069 12.549 5.440 520 H SER 68 H SER 68 -13.613 9.731 1.711 521 HA SER 68 HA SER 68 -14.473 7.631 0.111 522 HB2 SER 68 2HB SER 68 -15.682 10.427 0.243 523 HB3 SER 68 1HB SER 68 -16.529 8.940 -0.203 524 HG SER 68 HG SER 68 -16.163 8.181 1.907 525 H THR 69 H THR 69 -13.607 10.925 -0.929 526 HA THR 69 HA THR 69 -13.638 10.147 -3.769 527 HB THR 69 HB THR 69 -13.339 12.661 -4.124 528 HG1 THR 69 HG1 THR 69 -12.869 13.807 -2.418 529 HG21 THR 69 1HG2 THR 69 -15.582 11.645 -4.254 530 HG22 THR 69 2HG2 THR 69 -15.668 13.254 -3.531 531 HG23 THR 69 3HG2 THR 69 -15.774 11.819 -2.509 532 H ASP 70 H ASP 70 -11.509 11.619 -1.311 533 HA ASP 70 HA ASP 70 -9.451 12.420 -3.035 534 HB2 ASP 70 2HB ASP 70 -9.225 11.805 -0.065 535 HB3 ASP 70 1HB ASP 70 -8.069 12.731 -1.003 536 H ALA 71 H ALA 71 -9.639 9.498 -0.948 537 HA ALA 71 HA ALA 71 -7.098 8.458 -1.313 538 HB1 ALA 71 1HB ALA 71 -8.023 6.261 -0.719 539 HB2 ALA 71 2HB ALA 71 -9.660 6.850 -1.033 540 HB3 ALA 71 3HB ALA 71 -8.716 7.527 0.295 541 H ARG 72 H ARG 72 -9.905 8.160 -3.378 542 HA ARG 72 HA ARG 72 -8.993 6.138 -5.141 543 HB2 ARG 72 2HB ARG 72 -11.055 8.322 -5.628 544 HB3 ARG 72 1HB ARG 72 -10.874 6.845 -6.573 545 HG2 ARG 72 2HG ARG 72 -11.479 5.503 -4.574 546 HG3 ARG 72 1HG ARG 72 -11.684 6.998 -3.650 547 HD2 ARG 72 2HD ARG 72 -13.843 6.089 -4.460 548 HD3 ARG 72 1HD ARG 72 -13.514 7.695 -5.109 549 HE ARG 72 HE ARG 72 -13.131 6.770 -7.228 550 HH11 ARG 72 1HH1 ARG 72 -14.065 4.270 -4.929 551 HH12 ARG 72 2HH1 ARG 72 -14.455 3.116 -6.167 552 HH21 ARG 72 1HH2 ARG 72 -13.572 5.217 -8.830 553 HH22 ARG 72 2HH2 ARG 72 -14.172 3.658 -8.365 554 H GLU 73 H GLU 73 -9.010 9.707 -5.391 555 HA GLU 73 HA GLU 73 -7.632 9.688 -7.952 556 HB2 GLU 73 2HB GLU 73 -7.820 12.126 -7.873 557 HB3 GLU 73 1HB GLU 73 -9.369 11.378 -7.505 558 HG2 GLU 73 2HG GLU 73 -9.017 11.814 -5.101 559 HG3 GLU 73 1HG GLU 73 -7.462 12.561 -5.457 560 H LEU 74 H LEU 74 -6.660 9.586 -4.682 561 HA LEU 74 HA LEU 74 -4.051 10.801 -5.083 562 HB2 LEU 74 2HB LEU 74 -5.235 9.229 -2.755 563 HB3 LEU 74 1HB LEU 74 -3.577 9.809 -2.767 564 HG LEU 74 HG LEU 74 -6.061 11.574 -2.848 565 HD11 LEU 74 1HD1 LEU 74 -4.082 11.135 -0.587 566 HD12 LEU 74 2HD1 LEU 74 -5.743 10.537 -0.651 567 HD13 LEU 74 3HD1 LEU 74 -5.437 12.271 -0.582 568 HD21 LEU 74 1HD2 LEU 74 -4.531 13.474 -2.571 569 HD22 LEU 74 2HD2 LEU 74 -4.251 12.627 -4.093 570 HD23 LEU 74 3HD2 LEU 74 -3.143 12.392 -2.737 571 H SER 75 H SER 75 -5.491 7.636 -5.439 572 HA SER 75 HA SER 75 -3.313 5.917 -5.155 573 HB2 SER 75 2HB SER 75 -5.650 5.136 -5.442 574 HB3 SER 75 1HB SER 75 -5.627 5.664 -7.121 575 HG SER 75 HG SER 75 -4.976 3.321 -6.255 576 H LYS 76 H LYS 76 -4.507 7.342 -8.223 577 HA LYS 76 HA LYS 76 -2.463 6.583 -9.949 578 HB2 LYS 76 2HB LYS 76 -3.134 8.631 -11.310 579 HB3 LYS 76 1HB LYS 76 -4.449 7.545 -10.881 580 HG2 LYS 76 2HG LYS 76 -5.450 9.047 -9.439 581 HG3 LYS 76 1HG LYS 76 -3.935 9.830 -9.002 582 HD2 LYS 76 2HD LYS 76 -5.324 10.191 -11.686 583 HD3 LYS 76 1HD LYS 76 -5.511 11.279 -10.310 584 HE2 LYS 76 2HE LYS 76 -3.059 11.729 -10.354 585 HE3 LYS 76 1HE LYS 76 -2.911 10.687 -11.770 586 HZ1 LYS 76 1HZ LYS 76 -4.409 12.205 -12.957 587 HZ2 LYS 76 2HZ LYS 76 -3.006 12.980 -12.424 588 HZ3 LYS 76 3HZ LYS 76 -4.460 13.213 -11.603 589 H LYS 77 H LYS 77 -2.465 9.178 -7.595 590 HA LYS 77 HA LYS 77 -0.205 10.611 -8.658 591 HB2 LYS 77 2HB LYS 77 -2.155 11.622 -7.403 592 HB3 LYS 77 1HB LYS 77 -1.583 10.847 -5.935 593 HG2 LYS 77 2HG LYS 77 0.230 12.722 -7.463 594 HG3 LYS 77 1HG LYS 77 -1.037 13.370 -6.420 595 HD2 LYS 77 2HD LYS 77 -0.065 12.297 -4.461 596 HD3 LYS 77 1HD LYS 77 1.103 11.422 -5.459 597 HE2 LYS 77 2HE LYS 77 2.187 13.527 -6.079 598 HE3 LYS 77 1HE LYS 77 0.981 14.435 -5.169 599 HZ1 LYS 77 1HZ LYS 77 1.775 13.427 -3.140 600 HZ2 LYS 77 2HZ LYS 77 3.052 14.174 -3.950 601 HZ3 LYS 77 3HZ LYS 77 2.901 12.496 -3.993 602 H TYR 78 H TYR 78 -0.789 8.159 -6.180 603 HA TYR 78 HA TYR 78 2.010 8.188 -5.275 604 HB2 TYR 78 2HB TYR 78 -0.509 6.871 -4.155 605 HB3 TYR 78 1HB TYR 78 1.098 6.581 -3.495 606 HD1 TYR 78 HD1 TYR 78 2.476 8.793 -2.924 607 HD2 TYR 78 HD2 TYR 78 -1.784 8.611 -3.139 608 HE1 TYR 78 HE1 TYR 78 2.305 10.833 -1.583 609 HE2 TYR 78 HE2 TYR 78 -1.945 10.650 -1.787 610 HH TYR 78 HH TYR 78 -0.590 11.914 -0.194 611 H ILE 79 H ILE 79 1.193 7.090 -7.967 612 HA ILE 79 HA ILE 79 1.573 4.255 -7.783 613 HB ILE 79 HB ILE 79 0.476 5.155 -9.758 614 HG12 ILE 79 2HG1 ILE 79 1.727 3.946 -11.541 615 HG13 ILE 79 1HG1 ILE 79 3.163 3.918 -10.524 616 HG21 ILE 79 1HG2 ILE 79 1.580 7.340 -9.944 617 HG22 ILE 79 2HG2 ILE 79 1.613 6.483 -11.487 618 HG23 ILE 79 3HG2 ILE 79 3.068 6.557 -10.488 619 HD11 ILE 79 1HD1 ILE 79 0.547 2.552 -9.891 620 HD12 ILE 79 2HD1 ILE 79 2.026 2.472 -8.928 621 HD13 ILE 79 3HD1 ILE 79 1.988 1.778 -10.547 622 H ILE 80 H ILE 80 3.371 3.321 -7.114 623 HA ILE 80 HA ILE 80 6.004 4.631 -7.515 624 HB ILE 80 HB ILE 80 5.163 4.422 -5.134 625 HG12 ILE 80 2HG1 ILE 80 7.760 2.900 -5.660 626 HG13 ILE 80 1HG1 ILE 80 7.608 4.652 -5.718 627 HG21 ILE 80 1HG2 ILE 80 5.231 2.250 -3.991 628 HG22 ILE 80 2HG2 ILE 80 5.623 1.444 -5.511 629 HG23 ILE 80 3HG2 ILE 80 4.054 2.225 -5.311 630 HD11 ILE 80 1HD1 ILE 80 7.181 2.913 -3.294 631 HD12 ILE 80 2HD1 ILE 80 6.984 4.668 -3.348 632 HD13 ILE 80 3HD1 ILE 80 8.568 3.949 -3.630 633 H GLY 81 H GLY 81 4.098 1.937 -8.327 634 HA2 GLY 81 2HA GLY 81 5.463 1.054 -10.455 635 HA3 GLY 81 1HA GLY 81 6.297 0.209 -9.149 636 H GLU 82 H GLU 82 5.553 -1.770 -10.137 637 HA GLU 82 HA GLU 82 2.819 -2.481 -9.231 638 HB2 GLU 82 2HB GLU 82 2.751 -4.196 -11.010 639 HB3 GLU 82 1HB GLU 82 2.889 -2.569 -11.670 640 HG2 GLU 82 2HG GLU 82 5.256 -2.906 -12.153 641 HG3 GLU 82 1HG GLU 82 5.215 -4.499 -11.386 642 H LEU 83 H LEU 83 2.646 -4.377 -8.070 643 HA LEU 83 HA LEU 83 4.976 -5.262 -6.648 644 HB2 LEU 83 2HB LEU 83 2.513 -4.980 -5.824 645 HB3 LEU 83 1HB LEU 83 2.213 -6.549 -6.531 646 HG LEU 83 HG LEU 83 2.558 -6.548 -4.043 647 HD11 LEU 83 1HD1 LEU 83 2.931 -8.596 -5.306 648 HD12 LEU 83 2HD1 LEU 83 3.934 -8.493 -3.866 649 HD13 LEU 83 3HD1 LEU 83 4.641 -8.196 -5.457 650 HD21 LEU 83 1HD2 LEU 83 4.790 -6.243 -3.092 651 HD22 LEU 83 2HD2 LEU 83 4.217 -4.776 -3.880 652 HD23 LEU 83 3HD2 LEU 83 5.420 -5.792 -4.679 653 H HIS 84 H HIS 84 5.835 -7.321 -6.619 654 HA HIS 84 HA HIS 84 6.442 -8.592 -9.028 655 HB2 HIS 84 2HB HIS 84 7.791 -8.483 -6.848 656 HB3 HIS 84 1HB HIS 84 6.750 -9.751 -6.221 657 HD1 HIS 84 HD1 HIS 84 8.099 -11.820 -6.199 658 HD2 HIS 84 HD2 HIS 84 8.833 -9.535 -9.580 659 HE1 HIS 84 HE1 HIS 84 9.810 -13.103 -7.510 660 HE2 HIS 84 HE2 HIS 84 10.408 -11.564 -9.402 661 HA PRO 85 HA PRO 85 2.601 -11.021 -9.642 662 HB2 PRO 85 2HB PRO 85 4.077 -13.011 -11.188 663 HB3 PRO 85 1HB PRO 85 2.999 -11.735 -11.773 664 HG2 PRO 85 2HG PRO 85 5.943 -11.766 -11.638 665 HG3 PRO 85 1HG PRO 85 4.875 -10.788 -12.663 666 HD2 PRO 85 2HD PRO 85 6.272 -9.718 -10.598 667 HD3 PRO 85 1HD PRO 85 4.680 -9.096 -11.075 668 H ASP 86 H ASP 86 5.608 -12.578 -8.620 669 HA ASP 86 HA ASP 86 4.550 -14.973 -7.541 670 HB2 ASP 86 2HB ASP 86 6.925 -14.765 -8.079 671 HB3 ASP 86 1HB ASP 86 7.117 -13.437 -6.948 672 H ASP 87 H ASP 87 5.387 -11.830 -6.053 673 HA ASP 87 HA ASP 87 5.219 -12.795 -3.368 674 HB2 ASP 87 2HB ASP 87 5.731 -10.134 -4.659 675 HB3 ASP 87 1HB ASP 87 5.226 -10.106 -2.980 676 H ARG 88 H ARG 88 2.957 -11.104 -5.418 677 HA ARG 88 HA ARG 88 1.081 -10.419 -3.370 678 HB2 ARG 88 2HB ARG 88 -0.494 -10.134 -5.449 679 HB3 ARG 88 1HB ARG 88 0.853 -9.038 -5.208 680 HG2 ARG 88 2HG ARG 88 1.656 -9.513 -7.253 681 HG3 ARG 88 1HG ARG 88 1.834 -11.207 -6.821 682 HD2 ARG 88 2HD ARG 88 -0.770 -10.035 -7.833 683 HD3 ARG 88 1HD ARG 88 0.470 -10.687 -8.897 684 HE ARG 88 HE ARG 88 0.075 -12.851 -8.057 685 HH11 ARG 88 1HH1 ARG 88 -2.185 -10.522 -6.708 686 HH12 ARG 88 2HH1 ARG 88 -3.328 -11.729 -6.213 687 HH21 ARG 88 1HH2 ARG 88 -1.448 -14.416 -7.437 688 HH22 ARG 88 2HH2 ARG 88 -2.909 -13.942 -6.628 689 H SER 89 H SER 89 1.672 -13.327 -5.121 690 HA SER 89 HA SER 89 -0.824 -14.625 -4.231 691 HB2 SER 89 2HB SER 89 -0.072 -15.019 -6.549 692 HB3 SER 89 1HB SER 89 1.476 -15.629 -5.966 693 HG SER 89 HG SER 89 0.483 -17.422 -5.190 694 H LYS 90 H LYS 90 2.540 -14.381 -3.555 695 HA LYS 90 HA LYS 90 3.046 -16.749 -2.066 696 HB2 LYS 90 2HB LYS 90 4.863 -15.607 -3.111 697 HB3 LYS 90 1HB LYS 90 4.371 -14.052 -2.465 698 HG2 LYS 90 2HG LYS 90 5.085 -14.884 -0.182 699 HG3 LYS 90 1HG LYS 90 5.794 -16.286 -0.998 700 HD2 LYS 90 2HD LYS 90 7.329 -14.902 -2.243 701 HD3 LYS 90 1HD LYS 90 6.466 -13.426 -1.804 702 HE2 LYS 90 2HE LYS 90 8.543 -13.576 -0.560 703 HE3 LYS 90 1HE LYS 90 7.178 -13.729 0.545 704 HZ1 LYS 90 1HZ LYS 90 8.774 -15.986 -0.526 705 HZ2 LYS 90 2HZ LYS 90 7.507 -16.109 0.585 706 HZ3 LYS 90 3HZ LYS 90 8.937 -15.316 1.017 707 H ILE 91 H ILE 91 2.383 -13.374 -1.140 708 HA ILE 91 HA ILE 91 1.807 -14.174 1.661 709 HB ILE 91 HB ILE 91 2.516 -11.342 0.749 710 HG12 ILE 91 2HG1 ILE 91 4.494 -13.459 1.731 711 HG13 ILE 91 1HG1 ILE 91 4.397 -12.839 0.088 712 HG21 ILE 91 1HG2 ILE 91 3.149 -10.985 3.108 713 HG22 ILE 91 2HG2 ILE 91 2.750 -12.661 3.487 714 HG23 ILE 91 3HG2 ILE 91 1.478 -11.544 2.996 715 HD11 ILE 91 1HD1 ILE 91 6.240 -11.839 1.242 716 HD12 ILE 91 2HD1 ILE 91 5.189 -11.284 2.544 717 HD13 ILE 91 3HD1 ILE 91 5.019 -10.609 0.921 718 H ALA 92 H ALA 92 0.008 -14.332 -0.675 719 HA ALA 92 HA ALA 92 -2.106 -12.458 -0.462 720 HB1 ALA 92 1HB ALA 92 -1.960 -14.102 -2.298 721 HB2 ALA 92 2HB ALA 92 -3.507 -14.241 -1.461 722 HB3 ALA 92 3HB ALA 92 -2.228 -15.424 -1.158 723 H LYS 93 H LYS 93 -1.532 -15.596 1.119 724 HA LYS 93 HA LYS 93 -2.482 -14.594 3.665 725 HB2 LYS 93 2HB LYS 93 -3.954 -16.631 4.036 726 HB3 LYS 93 1HB LYS 93 -4.584 -15.432 2.916 727 HG2 LYS 93 2HG LYS 93 -4.030 -16.828 1.000 728 HG3 LYS 93 1HG LYS 93 -3.203 -17.995 2.039 729 HD2 LYS 93 2HD LYS 93 -5.431 -18.834 1.438 730 HD3 LYS 93 1HD LYS 93 -5.353 -18.510 3.171 731 HE2 LYS 93 2HE LYS 93 -6.526 -16.350 2.798 732 HE3 LYS 93 1HE LYS 93 -6.628 -16.715 1.075 733 HZ1 LYS 93 1HZ LYS 93 -8.677 -17.254 2.227 734 HZ2 LYS 93 2HZ LYS 93 -7.858 -18.317 3.252 735 HZ3 LYS 93 3HZ LYS 93 -7.967 -18.650 1.602 736 HA PRO 94 HA PRO 94 1.301 -17.241 4.146 737 HB2 PRO 94 2HB PRO 94 2.429 -15.742 6.160 738 HB3 PRO 94 1HB PRO 94 2.587 -15.294 4.447 739 HG2 PRO 94 2HG PRO 94 0.666 -14.226 6.499 740 HG3 PRO 94 1HG PRO 94 1.645 -13.333 5.310 741 HD2 PRO 94 2HD PRO 94 -0.984 -13.875 4.876 742 HD3 PRO 94 1HD PRO 94 0.194 -13.813 3.546 743 H SER 95 H SER 95 1.691 -18.808 5.729 744 HA SER 95 HA SER 95 -0.470 -19.377 7.580 745 HB2 SER 95 2HB SER 95 2.115 -20.944 7.087 746 HB3 SER 95 1HB SER 95 0.662 -21.533 7.902 747 HG SER 95 HG SER 95 0.883 -20.746 5.179 748 H GLU 96 H GLU 96 -0.019 -17.354 8.782 749 HA GLU 96 HA GLU 96 2.381 -17.179 10.421 750 HB2 GLU 96 2HB GLU 96 1.285 -15.173 9.329 751 HB3 GLU 96 1HB GLU 96 -0.098 -15.389 10.395 752 HG2 GLU 96 2HG GLU 96 1.282 -13.631 11.292 753 HG3 GLU 96 1HG GLU 96 1.420 -15.027 12.357 754 H THR 97 H THR 97 -1.084 -16.953 11.188 755 HA THR 97 HA THR 97 -0.782 -18.862 13.447 756 HB THR 97 HB THR 97 -1.434 -16.549 14.166 757 HG1 THR 97 HG1 THR 97 -2.964 -18.804 14.629 758 HG21 THR 97 1HG2 THR 97 -3.661 -15.632 13.602 759 HG22 THR 97 2HG2 THR 97 -3.946 -16.977 12.497 760 HG23 THR 97 3HG2 THR 97 -2.667 -15.810 12.153 761 H LEU 98 H LEU 98 -1.525 -18.823 10.352 762 HA LEU 98 HA LEU 98 -4.200 -20.006 10.336 763 HB2 LEU 98 2HB LEU 98 -2.373 -19.125 8.057 764 HB3 LEU 98 1HB LEU 98 -4.021 -19.705 7.867 765 HG LEU 98 HG LEU 98 -3.201 -17.134 9.285 766 HD11 LEU 98 1HD1 LEU 98 -4.565 -17.522 6.599 767 HD12 LEU 98 2HD1 LEU 98 -2.909 -16.969 6.864 768 HD13 LEU 98 3HD1 LEU 98 -4.261 -15.973 7.393 769 HD21 LEU 98 1HD2 LEU 98 -5.629 -16.644 9.388 770 HD22 LEU 98 2HD2 LEU 98 -5.197 -18.066 10.331 771 HD23 LEU 98 3HD2 LEU 98 -5.978 -18.257 8.759 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 20.414 -10.726 -10.842 2 H2 ALA 1 2H ALA 1 19.675 -11.612 -9.606 3 H3 ALA 1 3H ALA 1 20.669 -10.294 -9.228 4 HA ALA 1 HA ALA 1 18.102 -10.148 -10.695 5 HB1 ALA 1 1HB ALA 1 17.223 -9.045 -8.654 6 HB2 ALA 1 2HB ALA 1 18.759 -9.348 -7.836 7 HB3 ALA 1 3HB ALA 1 17.738 -10.703 -8.327 8 H GLU 2 H GLU 2 18.247 -8.519 -12.113 9 HA GLU 2 HA GLU 2 19.297 -5.905 -11.252 10 HB2 GLU 2 2HB GLU 2 20.277 -5.495 -13.474 11 HB3 GLU 2 1HB GLU 2 21.018 -6.906 -12.734 12 HG2 GLU 2 2HG GLU 2 19.677 -8.390 -14.154 13 HG3 GLU 2 1HG GLU 2 18.859 -7.001 -14.866 14 H GLN 3 H GLN 3 18.188 -4.117 -12.146 15 HA GLN 3 HA GLN 3 15.453 -4.604 -12.967 16 HB2 GLN 3 2HB GLN 3 16.043 -2.776 -11.373 17 HB3 GLN 3 1HB GLN 3 16.973 -1.981 -12.634 18 HG2 GLN 3 2HG GLN 3 14.732 -0.957 -12.249 19 HG3 GLN 3 1HG GLN 3 14.977 -1.508 -13.904 20 HE21 GLN 3 1HE2 GLN 3 13.361 -2.201 -10.885 21 HE22 GLN 3 2HE2 GLN 3 12.143 -3.226 -11.539 22 H SER 4 H SER 4 15.026 -5.074 -15.032 23 HA SER 4 HA SER 4 16.922 -4.650 -17.170 24 HB2 SER 4 2HB SER 4 15.170 -5.850 -18.545 25 HB3 SER 4 1HB SER 4 15.658 -6.726 -17.097 26 HG SER 4 HG SER 4 13.289 -5.238 -17.521 27 H ASP 5 H ASP 5 14.184 -2.949 -15.953 28 HA ASP 5 HA ASP 5 13.923 -1.286 -18.394 29 HB2 ASP 5 2HB ASP 5 12.007 -1.706 -16.054 30 HB3 ASP 5 1HB ASP 5 11.740 -0.543 -17.351 31 H LYS 6 H LYS 6 13.517 0.999 -18.018 32 HA LYS 6 HA LYS 6 15.283 2.131 -15.933 33 HB2 LYS 6 2HB LYS 6 14.321 3.243 -18.610 34 HB3 LYS 6 1HB LYS 6 15.185 4.212 -17.423 35 HG2 LYS 6 2HG LYS 6 16.766 3.507 -19.092 36 HG3 LYS 6 1HG LYS 6 17.127 2.648 -17.595 37 HD2 LYS 6 2HD LYS 6 16.058 0.616 -18.473 38 HD3 LYS 6 1HD LYS 6 15.590 1.464 -19.948 39 HE2 LYS 6 2HE LYS 6 18.466 1.032 -19.067 40 HE3 LYS 6 1HE LYS 6 17.607 -0.014 -20.197 41 HZ1 LYS 6 1HZ LYS 6 18.088 2.884 -20.610 42 HZ2 LYS 6 2HZ LYS 6 17.365 1.824 -21.706 43 HZ3 LYS 6 3HZ LYS 6 18.997 1.642 -21.308 44 H ASP 7 H ASP 7 12.066 1.526 -16.445 45 HA ASP 7 HA ASP 7 11.162 3.655 -14.611 46 HB2 ASP 7 2HB ASP 7 9.831 2.925 -17.263 47 HB3 ASP 7 1HB ASP 7 9.045 3.883 -16.018 48 H VAL 8 H VAL 8 8.899 3.169 -13.841 49 HA VAL 8 HA VAL 8 7.414 1.963 -12.699 50 HB VAL 8 HB VAL 8 7.805 -0.191 -14.815 51 HG11 VAL 8 1HG1 VAL 8 6.618 -1.046 -12.845 52 HG12 VAL 8 2HG1 VAL 8 5.504 -0.894 -14.207 53 HG13 VAL 8 3HG1 VAL 8 5.488 0.310 -12.916 54 HG21 VAL 8 1HG2 VAL 8 7.234 1.986 -15.845 55 HG22 VAL 8 2HG2 VAL 8 5.839 2.137 -14.772 56 HG23 VAL 8 3HG2 VAL 8 5.886 0.853 -15.981 57 H LYS 9 H LYS 9 8.030 1.423 -10.739 58 HA LYS 9 HA LYS 9 10.429 -0.147 -10.265 59 HB2 LYS 9 2HB LYS 9 8.620 1.400 -8.368 60 HB3 LYS 9 1HB LYS 9 10.164 0.669 -7.927 61 HG2 LYS 9 2HG LYS 9 11.390 2.189 -9.363 62 HG3 LYS 9 1HG LYS 9 9.898 2.800 -10.084 63 HD2 LYS 9 2HD LYS 9 10.891 4.391 -8.454 64 HD3 LYS 9 1HD LYS 9 9.267 3.879 -7.994 65 HE2 LYS 9 2HE LYS 9 10.785 3.980 -6.060 66 HE3 LYS 9 1HE LYS 9 10.210 2.337 -6.334 67 HZ1 LYS 9 1HZ LYS 9 12.579 2.405 -5.827 68 HZ2 LYS 9 2HZ LYS 9 12.862 3.390 -7.170 69 HZ3 LYS 9 3HZ LYS 9 12.309 1.812 -7.384 70 H TYR 10 H TYR 10 10.243 -2.293 -10.138 71 HA TYR 10 HA TYR 10 7.860 -3.695 -9.329 72 HB2 TYR 10 2HB TYR 10 10.671 -4.727 -9.930 73 HB3 TYR 10 1HB TYR 10 9.262 -5.743 -9.659 74 HD1 TYR 10 HD1 TYR 10 10.708 -3.207 -11.991 75 HD2 TYR 10 HD2 TYR 10 7.755 -6.235 -11.445 76 HE1 TYR 10 HE1 TYR 10 10.219 -3.151 -14.392 77 HE2 TYR 10 HE2 TYR 10 7.254 -6.175 -13.848 78 HH TYR 10 HH TYR 10 7.482 -4.632 -15.755 79 H TYR 11 H TYR 11 7.462 -3.161 -7.183 80 HA TYR 11 HA TYR 11 9.424 -3.493 -5.097 81 HB2 TYR 11 2HB TYR 11 6.499 -2.751 -5.200 82 HB3 TYR 11 1HB TYR 11 7.113 -3.390 -3.680 83 HD1 TYR 11 HD1 TYR 11 7.820 -0.729 -6.238 84 HD2 TYR 11 HD2 TYR 11 8.221 -1.988 -2.177 85 HE1 TYR 11 HE1 TYR 11 8.817 1.436 -5.665 86 HE2 TYR 11 HE2 TYR 11 9.226 0.166 -1.596 87 HH TYR 11 HH TYR 11 10.433 1.990 -2.721 88 H THR 12 H THR 12 9.350 -5.010 -3.451 89 HA THR 12 HA THR 12 8.135 -7.641 -4.095 90 HB THR 12 HB THR 12 10.659 -6.889 -2.552 91 HG1 THR 12 HG1 THR 12 10.132 -7.979 -5.087 92 HG21 THR 12 1HG2 THR 12 11.090 -9.290 -2.246 93 HG22 THR 12 2HG2 THR 12 9.533 -9.666 -2.983 94 HG23 THR 12 3HG2 THR 12 9.591 -8.813 -1.443 95 H LEU 13 H LEU 13 6.494 -8.231 -2.718 96 HA LEU 13 HA LEU 13 5.528 -6.497 -0.704 97 HB2 LEU 13 2HB LEU 13 4.276 -8.254 -2.186 98 HB3 LEU 13 1HB LEU 13 4.700 -9.404 -0.935 99 HG LEU 13 HG LEU 13 3.404 -8.063 0.727 100 HD11 LEU 13 1HD1 LEU 13 3.645 -5.834 -0.237 101 HD12 LEU 13 2HD1 LEU 13 1.942 -6.232 -0.034 102 HD13 LEU 13 3HD1 LEU 13 2.676 -6.307 -1.638 103 HD21 LEU 13 1HD2 LEU 13 2.291 -9.894 -0.500 104 HD22 LEU 13 2HD2 LEU 13 1.786 -8.748 -1.744 105 HD23 LEU 13 3HD2 LEU 13 1.168 -8.595 -0.095 106 H GLU 14 H GLU 14 7.769 -9.099 -0.631 107 HA GLU 14 HA GLU 14 7.817 -9.763 2.119 108 HB2 GLU 14 2HB GLU 14 8.773 -11.066 0.173 109 HB3 GLU 14 1HB GLU 14 10.072 -9.889 0.081 110 HG2 GLU 14 2HG GLU 14 10.805 -10.543 2.346 111 HG3 GLU 14 1HG GLU 14 9.504 -11.730 2.416 112 H GLU 15 H GLU 15 9.390 -7.188 0.242 113 HA GLU 15 HA GLU 15 11.018 -6.137 2.356 114 HB2 GLU 15 2HB GLU 15 9.845 -4.571 0.019 115 HB3 GLU 15 1HB GLU 15 11.256 -4.139 0.979 116 HG2 GLU 15 2HG GLU 15 11.032 -6.470 -0.931 117 HG3 GLU 15 1HG GLU 15 11.853 -4.943 -1.248 118 H ILE 16 H ILE 16 7.753 -5.530 1.160 119 HA ILE 16 HA ILE 16 7.197 -3.232 2.767 120 HB ILE 16 HB ILE 16 5.148 -5.051 1.407 121 HG12 ILE 16 2HG1 ILE 16 6.677 -2.702 0.168 122 HG13 ILE 16 1HG1 ILE 16 6.856 -4.396 -0.277 123 HG21 ILE 16 1HG2 ILE 16 3.765 -3.009 1.328 124 HG22 ILE 16 2HG2 ILE 16 5.049 -2.105 2.134 125 HG23 ILE 16 3HG2 ILE 16 4.222 -3.409 2.987 126 HD11 ILE 16 1HD1 ILE 16 4.369 -2.726 -0.661 127 HD12 ILE 16 2HD1 ILE 16 4.551 -4.426 -1.094 128 HD13 ILE 16 3HD1 ILE 16 5.524 -3.201 -1.907 129 H GLN 17 H GLN 17 6.881 -6.677 3.155 130 HA GLN 17 HA GLN 17 5.141 -6.887 5.343 131 HB2 GLN 17 2HB GLN 17 5.899 -8.833 4.013 132 HB3 GLN 17 1HB GLN 17 7.549 -8.604 4.582 133 HG2 GLN 17 2HG GLN 17 6.479 -10.468 5.752 134 HG3 GLN 17 1HG GLN 17 6.849 -9.164 6.878 135 HE21 GLN 17 1HE2 GLN 17 4.306 -10.835 5.189 136 HE22 GLN 17 2HE2 GLN 17 3.011 -10.247 6.160 137 H LYS 18 H LYS 18 8.536 -5.994 5.116 138 HA LYS 18 HA LYS 18 8.981 -5.857 7.993 139 HB2 LYS 18 2HB LYS 18 10.693 -4.904 5.653 140 HB3 LYS 18 1HB LYS 18 11.218 -5.000 7.332 141 HG2 LYS 18 2HG LYS 18 11.056 -7.434 7.286 142 HG3 LYS 18 1HG LYS 18 10.393 -7.379 5.647 143 HD2 LYS 18 2HD LYS 18 12.780 -7.965 5.589 144 HD3 LYS 18 1HD LYS 18 12.509 -6.404 4.812 145 HE2 LYS 18 2HE LYS 18 13.252 -5.284 6.943 146 HE3 LYS 18 1HE LYS 18 13.630 -6.879 7.600 147 HZ1 LYS 18 1HZ LYS 18 14.867 -5.659 5.186 148 HZ2 LYS 18 2HZ LYS 18 15.227 -7.192 5.803 149 HZ3 LYS 18 3HZ LYS 18 15.597 -5.813 6.702 150 H HIS 19 H HIS 19 6.818 -4.360 7.594 151 HA HIS 19 HA HIS 19 7.422 -1.553 7.078 152 HB2 HIS 19 2HB HIS 19 4.933 -1.244 7.554 153 HB3 HIS 19 1HB HIS 19 5.317 -2.275 6.192 154 HD1 HIS 19 HD1 HIS 19 4.478 -4.660 6.240 155 HD2 HIS 19 HD2 HIS 19 3.855 -2.685 9.838 156 HE1 HIS 19 HE1 HIS 19 3.005 -6.169 7.596 157 HE2 HIS 19 HE2 HIS 19 2.785 -5.029 9.818 158 H LYS 20 H LYS 20 9.050 -2.016 8.935 159 HA LYS 20 HA LYS 20 8.169 -1.967 11.643 160 HB2 LYS 20 2HB LYS 20 10.878 -1.159 10.479 161 HB3 LYS 20 1HB LYS 20 10.543 -1.425 12.187 162 HG2 LYS 20 2HG LYS 20 10.467 -3.506 9.981 163 HG3 LYS 20 1HG LYS 20 11.659 -3.376 11.281 164 HD2 LYS 20 2HD LYS 20 9.892 -3.867 12.951 165 HD3 LYS 20 1HD LYS 20 8.694 -3.966 11.660 166 HE2 LYS 20 2HE LYS 20 10.018 -5.888 10.697 167 HE3 LYS 20 1HE LYS 20 11.023 -5.843 12.150 168 HZ1 LYS 20 1HZ LYS 20 9.109 -6.324 13.495 169 HZ2 LYS 20 2HZ LYS 20 9.200 -7.478 12.263 170 HZ3 LYS 20 3HZ LYS 20 8.077 -6.219 12.159 171 H ASP 21 H ASP 21 8.902 0.518 9.285 172 HA ASP 21 HA ASP 21 7.993 2.602 11.192 173 HB2 ASP 21 2HB ASP 21 9.792 3.070 8.771 174 HB3 ASP 21 1HB ASP 21 9.412 4.204 10.068 175 H SER 22 H SER 22 6.896 4.415 10.075 176 HA SER 22 HA SER 22 4.780 3.534 8.406 177 HB2 SER 22 2HB SER 22 5.654 6.379 9.067 178 HB3 SER 22 1HB SER 22 4.076 5.898 8.432 179 HG SER 22 HG SER 22 3.960 6.121 10.658 180 H LYS 23 H LYS 23 7.903 4.992 7.757 181 HA LYS 23 HA LYS 23 7.422 5.661 5.025 182 HB2 LYS 23 2HB LYS 23 9.828 6.088 4.864 183 HB3 LYS 23 1HB LYS 23 9.129 6.839 6.284 184 HG2 LYS 23 2HG LYS 23 11.147 6.050 7.102 185 HG3 LYS 23 1HG LYS 23 10.052 4.751 7.569 186 HD2 LYS 23 2HD LYS 23 10.876 3.293 5.894 187 HD3 LYS 23 1HD LYS 23 11.581 4.606 4.965 188 HE2 LYS 23 2HE LYS 23 13.355 3.346 6.009 189 HE3 LYS 23 1HE LYS 23 13.268 4.936 6.761 190 HZ1 LYS 23 1HZ LYS 23 13.580 3.104 8.347 191 HZ2 LYS 23 2HZ LYS 23 12.072 2.475 7.927 192 HZ3 LYS 23 3HZ LYS 23 12.184 3.994 8.654 193 H SER 24 H SER 24 8.239 2.760 6.658 194 HA SER 24 HA SER 24 9.081 1.309 4.252 195 HB2 SER 24 2HB SER 24 8.743 0.375 7.139 196 HB3 SER 24 1HB SER 24 9.501 -0.552 5.843 197 HG SER 24 HG SER 24 11.242 0.692 5.951 198 H THR 25 H THR 25 6.245 2.420 4.770 199 HA THR 25 HA THR 25 4.685 -0.089 4.844 200 HB THR 25 HB THR 25 3.931 2.704 5.796 201 HG1 THR 25 HG1 THR 25 5.197 1.472 7.250 202 HG21 THR 25 1HG2 THR 25 2.193 0.219 5.697 203 HG22 THR 25 2HG2 THR 25 1.941 1.700 4.781 204 HG23 THR 25 3HG2 THR 25 1.776 1.710 6.538 205 H TRP 26 H TRP 26 4.075 -0.584 2.896 206 HA TRP 26 HA TRP 26 2.781 1.377 1.114 207 HB2 TRP 26 2HB TRP 26 4.647 -0.873 0.194 208 HB3 TRP 26 1HB TRP 26 3.764 0.229 -0.860 209 HD1 TRP 26 HD TRP 26 4.555 2.929 -0.603 210 HE1 TRP 26 HE1 TRP 26 6.915 3.885 -0.274 211 HE3 TRP 26 HE3 TRP 26 6.888 -1.258 1.177 212 HZ2 TRP 26 HZ2 TRP 26 9.430 2.996 0.624 213 HZ3 TRP 26 HZ3 TRP 26 9.278 -1.124 1.760 214 HH2 TRP 26 HH TRP 26 10.524 0.966 1.489 215 H VAL 27 H VAL 27 1.380 0.104 -0.508 216 HA VAL 27 HA VAL 27 0.302 -2.435 0.543 217 HB VAL 27 HB VAL 27 -2.064 -1.538 0.313 218 HG11 VAL 27 1HG1 VAL 27 -1.151 -1.908 2.538 219 HG12 VAL 27 2HG1 VAL 27 -2.175 -0.472 2.534 220 HG13 VAL 27 3HG1 VAL 27 -0.417 -0.301 2.543 221 HG21 VAL 27 1HG2 VAL 27 -1.582 0.444 -1.046 222 HG22 VAL 27 2HG2 VAL 27 -0.672 1.172 0.280 223 HG23 VAL 27 3HG2 VAL 27 -2.413 0.920 0.438 224 H ILE 28 H ILE 28 -1.350 -3.391 -0.986 225 HA ILE 28 HA ILE 28 -0.763 -2.617 -3.796 226 HB ILE 28 HB ILE 28 -0.609 -5.003 -4.410 227 HG12 ILE 28 2HG1 ILE 28 -0.074 -6.521 -2.163 228 HG13 ILE 28 1HG1 ILE 28 -1.329 -5.474 -1.519 229 HG21 ILE 28 1HG2 ILE 28 1.426 -3.772 -3.954 230 HG22 ILE 28 2HG2 ILE 28 1.605 -5.414 -3.343 231 HG23 ILE 28 3HG2 ILE 28 1.293 -4.095 -2.221 232 HD11 ILE 28 1HD1 ILE 28 -1.596 -7.263 -3.937 233 HD12 ILE 28 2HD1 ILE 28 -2.877 -6.265 -3.238 234 HD13 ILE 28 3HD1 ILE 28 -2.198 -7.607 -2.315 235 H LEU 29 H LEU 29 -2.382 -2.506 -5.175 236 HA LEU 29 HA LEU 29 -5.104 -2.820 -4.299 237 HB2 LEU 29 2HB LEU 29 -3.732 -1.598 -6.615 238 HB3 LEU 29 1HB LEU 29 -5.228 -2.381 -7.068 239 HG LEU 29 HG LEU 29 -5.484 0.054 -6.589 240 HD11 LEU 29 1HD1 LEU 29 -7.529 -0.092 -5.268 241 HD12 LEU 29 2HD1 LEU 29 -7.089 -1.709 -4.717 242 HD13 LEU 29 3HD1 LEU 29 -7.435 -1.416 -6.425 243 HD21 LEU 29 1HD2 LEU 29 -4.880 -0.660 -3.705 244 HD22 LEU 29 2HD2 LEU 29 -5.428 0.913 -4.293 245 HD23 LEU 29 3HD2 LEU 29 -3.849 0.296 -4.770 246 H HIS 30 H HIS 30 -2.863 -4.742 -6.202 247 HA HIS 30 HA HIS 30 -4.046 -7.125 -5.448 248 HB2 HIS 30 2HB HIS 30 -5.780 -6.333 -7.295 249 HB3 HIS 30 1HB HIS 30 -4.557 -6.847 -8.450 250 HD1 HIS 30 HD1 HIS 30 -4.698 -9.283 -9.092 251 HD2 HIS 30 HD2 HIS 30 -6.556 -8.518 -5.452 252 HE1 HIS 30 HE1 HIS 30 -5.726 -11.461 -8.382 253 HE2 HIS 30 HE2 HIS 30 -6.693 -11.007 -6.103 254 H HIS 31 H HIS 31 -2.478 -5.769 -8.338 255 HA HIS 31 HA HIS 31 -0.110 -7.527 -7.968 256 HB2 HIS 31 2HB HIS 31 -1.705 -6.881 -10.433 257 HB3 HIS 31 1HB HIS 31 0.038 -6.917 -10.635 258 HD1 HIS 31 HD1 HIS 31 0.799 -9.074 -11.465 259 HD2 HIS 31 HD2 HIS 31 -2.524 -9.494 -9.000 260 HE1 HIS 31 HE1 HIS 31 0.272 -11.523 -11.449 261 HE2 HIS 31 HE2 HIS 31 -1.831 -11.726 -10.093 262 H LYS 32 H LYS 32 -1.294 -4.331 -8.105 263 HA LYS 32 HA LYS 32 1.364 -3.230 -8.834 264 HB2 LYS 32 2HB LYS 32 -0.572 -2.642 -10.319 265 HB3 LYS 32 1HB LYS 32 -1.364 -1.870 -8.951 266 HG2 LYS 32 2HG LYS 32 0.245 -0.122 -8.863 267 HG3 LYS 32 1HG LYS 32 1.382 -0.998 -9.883 268 HD2 LYS 32 2HD LYS 32 -1.307 0.046 -10.853 269 HD3 LYS 32 1HD LYS 32 0.216 0.912 -11.034 270 HE2 LYS 32 2HE LYS 32 1.093 -1.107 -12.305 271 HE3 LYS 32 1HE LYS 32 -0.556 -1.738 -12.289 272 HZ1 LYS 32 1HZ LYS 32 -0.074 -0.568 -14.342 273 HZ2 LYS 32 2HZ LYS 32 0.295 0.845 -13.491 274 HZ3 LYS 32 3HZ LYS 32 -1.280 0.238 -13.478 275 H VAL 33 H VAL 33 2.255 -1.589 -7.508 276 HA VAL 33 HA VAL 33 1.267 -1.677 -4.717 277 HB VAL 33 HB VAL 33 3.514 -2.713 -5.116 278 HG11 VAL 33 1HG1 VAL 33 4.451 0.092 -5.798 279 HG12 VAL 33 2HG1 VAL 33 4.339 -1.262 -6.921 280 HG13 VAL 33 3HG1 VAL 33 5.482 -1.324 -5.582 281 HG21 VAL 33 1HG2 VAL 33 4.672 -1.621 -3.230 282 HG22 VAL 33 2HG2 VAL 33 2.950 -1.845 -2.900 283 HG23 VAL 33 3HG2 VAL 33 3.563 -0.250 -3.345 284 H TYR 34 H TYR 34 1.064 0.189 -3.588 285 HA TYR 34 HA TYR 34 1.378 2.763 -4.980 286 HB2 TYR 34 2HB TYR 34 -1.056 1.773 -3.420 287 HB3 TYR 34 1HB TYR 34 -0.816 3.455 -3.892 288 HD1 TYR 34 HD1 TYR 34 -1.166 4.175 -6.196 289 HD2 TYR 34 HD2 TYR 34 -1.455 0.025 -5.186 290 HE1 TYR 34 HE1 TYR 34 -2.151 3.697 -8.394 291 HE2 TYR 34 HE2 TYR 34 -2.444 -0.436 -7.383 292 HH TYR 34 HH TYR 34 -3.627 0.707 -9.145 293 H ASP 35 H ASP 35 1.806 4.479 -3.696 294 HA ASP 35 HA ASP 35 3.494 3.973 -1.474 295 HB2 ASP 35 2HB ASP 35 3.903 5.746 -3.210 296 HB3 ASP 35 1HB ASP 35 2.494 6.617 -2.614 297 H LEU 36 H LEU 36 2.801 3.723 0.559 298 HA LEU 36 HA LEU 36 0.141 4.760 1.324 299 HB2 LEU 36 2HB LEU 36 0.741 2.212 1.286 300 HB3 LEU 36 1HB LEU 36 1.624 2.539 2.759 301 HG LEU 36 HG LEU 36 -0.686 1.554 3.067 302 HD11 LEU 36 1HD1 LEU 36 -0.354 4.242 4.377 303 HD12 LEU 36 2HD1 LEU 36 0.397 2.739 4.899 304 HD13 LEU 36 3HD1 LEU 36 -1.353 2.899 4.938 305 HD21 LEU 36 1HD2 LEU 36 -1.684 4.270 2.177 306 HD22 LEU 36 2HD2 LEU 36 -2.663 2.939 2.803 307 HD23 LEU 36 3HD2 LEU 36 -1.832 2.771 1.261 308 H THR 37 H THR 37 3.547 4.887 1.993 309 HA THR 37 HA THR 37 3.636 5.669 4.657 310 HB THR 37 HB THR 37 5.718 5.150 3.600 311 HG1 THR 37 HG1 THR 37 6.888 7.242 3.984 312 HG21 THR 37 1HG2 THR 37 5.347 7.539 1.771 313 HG22 THR 37 2HG2 THR 37 5.260 5.844 1.285 314 HG23 THR 37 3HG2 THR 37 6.786 6.519 1.863 315 H LYS 38 H LYS 38 3.175 7.738 1.780 316 HA LYS 38 HA LYS 38 2.871 10.135 3.426 317 HB2 LYS 38 2HB LYS 38 4.070 10.223 1.265 318 HB3 LYS 38 1HB LYS 38 2.626 9.700 0.435 319 HG2 LYS 38 2HG LYS 38 2.743 12.007 0.003 320 HG3 LYS 38 1HG LYS 38 1.518 11.871 1.258 321 HD2 LYS 38 2HD LYS 38 4.419 12.573 1.859 322 HD3 LYS 38 1HD LYS 38 3.205 13.790 1.476 323 HE2 LYS 38 2HE LYS 38 3.051 11.862 3.815 324 HE3 LYS 38 1HE LYS 38 3.558 13.536 3.921 325 HZ1 LYS 38 1HZ LYS 38 0.867 12.540 3.163 326 HZ2 LYS 38 2HZ LYS 38 1.339 14.158 3.073 327 HZ3 LYS 38 3HZ LYS 38 1.295 13.384 4.564 328 H PHE 39 H PHE 39 0.890 7.734 1.921 329 HA PHE 39 HA PHE 39 -1.563 9.177 1.774 330 HB2 PHE 39 2HB PHE 39 -1.006 7.192 0.360 331 HB3 PHE 39 1HB PHE 39 -1.107 6.162 1.781 332 HD1 PHE 39 HD1 PHE 39 -3.099 8.295 -0.541 333 HD2 PHE 39 HD2 PHE 39 -3.270 5.383 2.589 334 HE1 PHE 39 HE1 PHE 39 -5.497 7.944 -0.978 335 HE2 PHE 39 HE2 PHE 39 -5.662 5.045 2.138 336 HZ PHE 39 HZ PHE 39 -6.771 6.321 0.357 337 H LEU 40 H LEU 40 0.008 7.307 4.323 338 HA LEU 40 HA LEU 40 -2.361 7.174 5.978 339 HB2 LEU 40 2HB LEU 40 -0.885 6.185 7.701 340 HB3 LEU 40 1HB LEU 40 -0.835 5.350 6.168 341 HG LEU 40 HG LEU 40 1.412 6.614 5.751 342 HD11 LEU 40 1HD1 LEU 40 1.260 8.252 7.554 343 HD12 LEU 40 2HD1 LEU 40 2.692 7.245 7.733 344 HD13 LEU 40 3HD1 LEU 40 1.278 6.960 8.756 345 HD21 LEU 40 1HD2 LEU 40 2.719 4.909 6.957 346 HD22 LEU 40 2HD2 LEU 40 1.319 4.203 6.155 347 HD23 LEU 40 3HD2 LEU 40 1.287 4.471 7.899 348 H GLU 41 H GLU 41 0.336 9.341 5.532 349 HA GLU 41 HA GLU 41 -0.042 10.875 7.923 350 HB2 GLU 41 2HB GLU 41 1.429 11.457 5.329 351 HB3 GLU 41 1HB GLU 41 1.423 12.561 6.699 352 HG2 GLU 41 2HG GLU 41 2.473 9.719 6.780 353 HG3 GLU 41 1HG GLU 41 3.467 11.152 6.545 354 H GLU 42 H GLU 42 -1.703 10.732 4.918 355 HA GLU 42 HA GLU 42 -2.828 13.297 4.748 356 HB2 GLU 42 2HB GLU 42 -3.981 10.590 3.957 357 HB3 GLU 42 1HB GLU 42 -4.618 12.136 3.436 358 HG2 GLU 42 2HG GLU 42 -1.950 10.921 2.721 359 HG3 GLU 42 1HG GLU 42 -3.316 11.195 1.646 360 H PHE 43 H PHE 43 -3.767 10.402 6.531 361 HA PHE 43 HA PHE 43 -6.113 11.631 7.737 362 HB2 PHE 43 2HB PHE 43 -4.872 8.983 8.560 363 HB3 PHE 43 1HB PHE 43 -6.554 9.475 8.674 364 HD1 PHE 43 HD1 PHE 43 -7.565 10.146 6.212 365 HD2 PHE 43 HD2 PHE 43 -4.429 7.323 6.964 366 HE1 PHE 43 HE1 PHE 43 -8.004 9.060 4.058 367 HE2 PHE 43 HE2 PHE 43 -4.869 6.275 4.787 368 HZ PHE 43 HZ PHE 43 -6.651 7.150 3.341 369 HA PRO 44 HA PRO 44 -3.692 13.380 11.131 370 HB2 PRO 44 2HB PRO 44 -5.691 13.759 13.002 371 HB3 PRO 44 1HB PRO 44 -5.488 14.795 11.575 372 HG2 PRO 44 2HG PRO 44 -7.383 12.505 11.977 373 HG3 PRO 44 1HG PRO 44 -7.686 14.093 11.238 374 HD2 PRO 44 2HD PRO 44 -7.275 11.876 9.732 375 HD3 PRO 44 1HD PRO 44 -6.724 13.483 9.201 376 H GLY 45 H GLY 45 -2.423 11.528 11.527 377 HA2 GLY 45 2HA GLY 45 -1.536 9.810 12.769 378 HA3 GLY 45 1HA GLY 45 -2.768 10.104 13.991 379 H GLY 46 H GLY 46 -3.218 9.293 10.567 380 HA2 GLY 46 2HA GLY 46 -5.087 7.156 11.302 381 HA3 GLY 46 1HA GLY 46 -4.858 7.863 9.719 382 H GLU 47 H GLU 47 -1.926 7.028 11.144 383 HA GLU 47 HA GLU 47 -1.301 4.884 9.436 384 HB2 GLU 47 2HB GLU 47 0.469 6.171 10.328 385 HB3 GLU 47 1HB GLU 47 -0.100 6.004 11.975 386 HG2 GLU 47 2HG GLU 47 0.807 3.499 10.602 387 HG3 GLU 47 1HG GLU 47 2.047 4.683 11.010 388 H GLU 48 H GLU 48 -2.791 4.966 12.610 389 HA GLU 48 HA GLU 48 -2.223 2.342 13.440 390 HB2 GLU 48 2HB GLU 48 -4.274 2.787 15.043 391 HB3 GLU 48 1HB GLU 48 -2.790 3.705 15.207 392 HG2 GLU 48 2HG GLU 48 -4.669 5.176 15.494 393 HG3 GLU 48 1HG GLU 48 -3.815 5.601 14.017 394 H VAL 49 H VAL 49 -4.753 3.440 11.300 395 HA VAL 49 HA VAL 49 -6.450 1.101 11.751 396 HB VAL 49 HB VAL 49 -7.387 3.406 11.452 397 HG11 VAL 49 1HG1 VAL 49 -7.554 4.427 9.227 398 HG12 VAL 49 2HG1 VAL 49 -6.548 3.142 8.554 399 HG13 VAL 49 3HG1 VAL 49 -5.872 4.259 9.740 400 HG21 VAL 49 1HG2 VAL 49 -8.384 1.401 9.399 401 HG22 VAL 49 2HG2 VAL 49 -9.297 2.775 10.032 402 HG23 VAL 49 3HG2 VAL 49 -8.833 1.453 11.106 403 H LEU 50 H LEU 50 -3.923 1.938 9.507 404 HA LEU 50 HA LEU 50 -4.861 -0.095 7.539 405 HB2 LEU 50 2HB LEU 50 -3.516 1.366 5.845 406 HB3 LEU 50 1HB LEU 50 -5.112 1.884 6.350 407 HG LEU 50 HG LEU 50 -4.095 3.547 7.898 408 HD11 LEU 50 1HD1 LEU 50 -1.962 2.520 8.384 409 HD12 LEU 50 2HD1 LEU 50 -1.709 4.124 7.710 410 HD13 LEU 50 3HD1 LEU 50 -1.451 2.696 6.708 411 HD21 LEU 50 1HD2 LEU 50 -3.353 5.130 6.162 412 HD22 LEU 50 2HD2 LEU 50 -4.785 4.237 5.658 413 HD23 LEU 50 3HD2 LEU 50 -3.204 3.801 5.007 414 H ARG 51 H ARG 51 -2.196 0.967 9.482 415 HA ARG 51 HA ARG 51 -0.019 -0.181 8.044 416 HB2 ARG 51 2HB ARG 51 0.160 1.623 9.784 417 HB3 ARG 51 1HB ARG 51 -0.241 0.436 11.015 418 HG2 ARG 51 2HG ARG 51 1.974 -0.726 9.764 419 HG3 ARG 51 1HG ARG 51 2.345 0.996 9.682 420 HD2 ARG 51 2HD ARG 51 3.308 0.228 11.719 421 HD3 ARG 51 1HD ARG 51 1.843 1.088 12.192 422 HE ARG 51 HE ARG 51 2.263 -1.828 12.215 423 HH11 ARG 51 1HH1 ARG 51 0.156 0.860 13.108 424 HH12 ARG 51 2HH1 ARG 51 -0.828 -0.111 14.142 425 HH21 ARG 51 1HH2 ARG 51 0.932 -3.078 13.530 426 HH22 ARG 51 2HH2 ARG 51 -0.390 -2.340 14.379 427 H GLU 52 H GLU 52 -2.373 -1.492 10.190 428 HA GLU 52 HA GLU 52 -1.090 -3.901 10.988 429 HB2 GLU 52 2HB GLU 52 -4.076 -3.382 10.658 430 HB3 GLU 52 1HB GLU 52 -3.327 -4.594 11.696 431 HG2 GLU 52 2HG GLU 52 -2.385 -2.836 13.125 432 HG3 GLU 52 1HG GLU 52 -3.021 -1.590 12.056 433 H GLN 53 H GLN 53 -2.933 -2.932 8.149 434 HA GLN 53 HA GLN 53 -2.689 -5.603 6.897 435 HB2 GLN 53 2HB GLN 53 -4.432 -3.204 6.171 436 HB3 GLN 53 1HB GLN 53 -4.384 -4.720 5.269 437 HG2 GLN 53 2HG GLN 53 -5.251 -5.933 7.216 438 HG3 GLN 53 1HG GLN 53 -5.253 -4.443 8.161 439 HE21 GLN 53 1HE2 GLN 53 -6.802 -2.846 7.691 440 HE22 GLN 53 2HE2 GLN 53 -8.210 -3.174 6.753 441 H ALA 54 H ALA 54 -0.636 -3.289 7.180 442 HA ALA 54 HA ALA 54 0.014 -2.372 4.560 443 HB1 ALA 54 1HB ALA 54 2.182 -1.740 5.549 444 HB2 ALA 54 2HB ALA 54 1.799 -2.678 6.998 445 HB3 ALA 54 3HB ALA 54 0.841 -1.253 6.590 446 H GLY 55 H GLY 55 1.224 -3.341 2.955 447 HA2 GLY 55 2HA GLY 55 2.225 -5.035 1.748 448 HA3 GLY 55 1HA GLY 55 2.876 -5.645 3.261 449 H GLY 56 H GLY 56 -0.537 -5.197 2.907 450 HA2 GLY 56 2HA GLY 56 -0.998 -8.108 2.523 451 HA3 GLY 56 1HA GLY 56 -1.889 -7.142 3.697 452 H ASP 57 H ASP 57 -3.140 -5.257 2.833 453 HA ASP 57 HA ASP 57 -4.205 -5.835 0.134 454 HB2 ASP 57 2HB ASP 57 -5.617 -6.991 1.882 455 HB3 ASP 57 1HB ASP 57 -5.972 -5.424 2.587 456 H ALA 58 H ALA 58 -5.043 -4.201 -0.954 457 HA ALA 58 HA ALA 58 -5.990 -1.760 0.233 458 HB1 ALA 58 1HB ALA 58 -3.683 -1.086 -0.171 459 HB2 ALA 58 2HB ALA 58 -4.740 -0.269 -1.314 460 HB3 ALA 58 3HB ALA 58 -3.765 -1.643 -1.839 461 H THR 59 H THR 59 -6.340 -4.313 -1.727 462 HA THR 59 HA THR 59 -7.526 -3.484 -4.096 463 HB THR 59 HB THR 59 -8.508 -5.788 -2.334 464 HG1 THR 59 HG1 THR 59 -6.546 -6.532 -2.502 465 HG21 THR 59 1HG2 THR 59 -9.848 -5.394 -4.385 466 HG22 THR 59 2HG2 THR 59 -8.973 -6.924 -4.472 467 HG23 THR 59 3HG2 THR 59 -8.380 -5.520 -5.361 468 H GLU 60 H GLU 60 -8.796 -3.841 -0.837 469 HA GLU 60 HA GLU 60 -11.145 -2.147 -1.471 470 HB2 GLU 60 2HB GLU 60 -10.761 -4.142 0.811 471 HB3 GLU 60 1HB GLU 60 -12.215 -3.191 0.502 472 HG2 GLU 60 2HG GLU 60 -12.565 -4.371 -1.630 473 HG3 GLU 60 1HG GLU 60 -11.070 -5.271 -1.386 474 H ASN 61 H ASN 61 -8.371 -2.676 0.668 475 HA ASN 61 HA ASN 61 -9.156 -1.115 2.851 476 HB2 ASN 61 2HB ASN 61 -7.427 -2.841 3.012 477 HB3 ASN 61 1HB ASN 61 -6.352 -1.910 1.983 478 HD21 ASN 61 1HD2 ASN 61 -5.162 -0.224 2.896 479 HD22 ASN 61 2HD2 ASN 61 -5.147 0.117 4.588 480 H PHE 62 H PHE 62 -7.481 -0.064 -0.111 481 HA PHE 62 HA PHE 62 -6.278 2.289 0.858 482 HB2 PHE 62 2HB PHE 62 -5.786 2.851 -1.369 483 HB3 PHE 62 1HB PHE 62 -5.974 1.110 -1.467 484 HD1 PHE 62 HD1 PHE 62 -8.446 0.283 -2.165 485 HD2 PHE 62 HD2 PHE 62 -6.886 4.191 -2.962 486 HE1 PHE 62 HE1 PHE 62 -10.099 0.582 -3.965 487 HE2 PHE 62 HE2 PHE 62 -8.548 4.476 -4.760 488 HZ PHE 62 HZ PHE 62 -10.152 2.676 -5.257 489 H GLU 63 H GLU 63 -9.533 1.655 -0.218 490 HA GLU 63 HA GLU 63 -10.389 4.463 -0.047 491 HB2 GLU 63 2HB GLU 63 -10.910 3.121 -2.083 492 HB3 GLU 63 1HB GLU 63 -11.832 1.995 -1.099 493 HG2 GLU 63 2HG GLU 63 -13.400 3.820 -0.518 494 HG3 GLU 63 1HG GLU 63 -12.483 4.919 -1.552 495 H ASP 64 H ASP 64 -10.706 1.319 1.464 496 HA ASP 64 HA ASP 64 -13.095 1.648 2.918 497 HB2 ASP 64 2HB ASP 64 -12.054 -0.566 2.543 498 HB3 ASP 64 1HB ASP 64 -10.693 -0.116 3.566 499 H VAL 65 H VAL 65 -9.718 1.927 4.045 500 HA VAL 65 HA VAL 65 -10.495 3.344 6.476 501 HB VAL 65 HB VAL 65 -8.159 3.296 7.077 502 HG11 VAL 65 1HG1 VAL 65 -8.879 0.651 5.764 503 HG12 VAL 65 2HG1 VAL 65 -9.363 1.178 7.378 504 HG13 VAL 65 3HG1 VAL 65 -7.660 0.883 7.023 505 HG21 VAL 65 1HG2 VAL 65 -7.551 2.396 4.239 506 HG22 VAL 65 2HG2 VAL 65 -6.378 2.440 5.553 507 HG23 VAL 65 3HG2 VAL 65 -7.107 3.936 4.974 508 H GLY 66 H GLY 66 -10.030 4.177 3.285 509 HA2 GLY 66 2HA GLY 66 -8.549 6.632 3.549 510 HA3 GLY 66 1HA GLY 66 -9.268 5.973 2.097 511 H PHE 67 H PHE 67 -9.424 8.586 2.349 512 HA PHE 67 HA PHE 67 -11.729 9.667 3.589 513 HB2 PHE 67 2HB PHE 67 -10.316 10.590 1.060 514 HB3 PHE 67 1HB PHE 67 -11.451 11.543 1.999 515 HD1 PHE 67 HD1 PHE 67 -8.017 10.781 1.476 516 HD2 PHE 67 HD2 PHE 67 -10.783 12.055 4.481 517 HE1 PHE 67 HE1 PHE 67 -6.177 11.760 2.765 518 HE2 PHE 67 HE2 PHE 67 -8.927 13.024 5.768 519 HZ PHE 67 HZ PHE 67 -6.628 12.883 4.909 520 H SER 68 H SER 68 -13.598 10.619 2.322 521 HA SER 68 HA SER 68 -15.135 8.603 1.121 522 HB2 SER 68 2HB SER 68 -15.596 11.611 1.014 523 HB3 SER 68 1HB SER 68 -16.815 10.365 0.731 524 HG SER 68 HG SER 68 -17.139 10.508 2.798 525 H THR 69 H THR 69 -14.049 11.646 -0.480 526 HA THR 69 HA THR 69 -14.225 10.340 -3.121 527 HB THR 69 HB THR 69 -14.006 12.661 -4.040 528 HG1 THR 69 HG1 THR 69 -13.262 14.169 -2.781 529 HG21 THR 69 1HG2 THR 69 -16.162 12.421 -1.913 530 HG22 THR 69 2HG2 THR 69 -16.272 11.802 -3.560 531 HG23 THR 69 3HG2 THR 69 -16.186 13.543 -3.277 532 H ASP 70 H ASP 70 -11.942 11.923 -0.934 533 HA ASP 70 HA ASP 70 -9.920 12.591 -2.749 534 HB2 ASP 70 2HB ASP 70 -9.443 11.929 0.181 535 HB3 ASP 70 1HB ASP 70 -8.452 12.940 -0.854 536 H ALA 71 H ALA 71 -10.156 9.699 -0.640 537 HA ALA 71 HA ALA 71 -7.646 8.575 -1.149 538 HB1 ALA 71 1HB ALA 71 -10.217 7.115 -0.462 539 HB2 ALA 71 2HB ALA 71 -9.110 7.853 0.694 540 HB3 ALA 71 3HB ALA 71 -8.575 6.476 -0.270 541 H ARG 72 H ARG 72 -10.575 8.428 -2.989 542 HA ARG 72 HA ARG 72 -9.993 6.109 -4.569 543 HB2 ARG 72 2HB ARG 72 -11.989 8.310 -5.223 544 HB3 ARG 72 1HB ARG 72 -12.044 6.622 -5.725 545 HG2 ARG 72 2HG ARG 72 -12.461 5.934 -3.400 546 HG3 ARG 72 1HG ARG 72 -12.364 7.617 -2.876 547 HD2 ARG 72 2HD ARG 72 -14.689 6.937 -3.046 548 HD3 ARG 72 1HD ARG 72 -14.336 8.148 -4.278 549 HE ARG 72 HE ARG 72 -14.030 5.520 -5.318 550 HH11 ARG 72 1HH1 ARG 72 -16.562 7.806 -4.414 551 HH12 ARG 72 2HH1 ARG 72 -17.714 7.134 -5.523 552 HH21 ARG 72 1HH2 ARG 72 -15.555 4.693 -6.777 553 HH22 ARG 72 2HH2 ARG 72 -17.145 5.381 -6.849 554 H GLU 73 H GLU 73 -9.676 9.601 -4.968 555 HA GLU 73 HA GLU 73 -8.560 9.374 -7.679 556 HB2 GLU 73 2HB GLU 73 -8.620 11.851 -7.686 557 HB3 GLU 73 1HB GLU 73 -10.189 11.172 -7.256 558 HG2 GLU 73 2HG GLU 73 -9.793 11.665 -4.890 559 HG3 GLU 73 1HG GLU 73 -8.181 12.256 -5.262 560 H LEU 74 H LEU 74 -7.416 9.431 -4.453 561 HA LEU 74 HA LEU 74 -4.864 10.685 -4.972 562 HB2 LEU 74 2HB LEU 74 -5.949 9.095 -2.625 563 HB3 LEU 74 1HB LEU 74 -4.252 9.525 -2.706 564 HG LEU 74 HG LEU 74 -6.574 11.485 -2.581 565 HD11 LEU 74 1HD1 LEU 74 -4.443 10.836 -0.517 566 HD12 LEU 74 2HD1 LEU 74 -6.139 10.348 -0.448 567 HD13 LEU 74 3HD1 LEU 74 -5.713 12.055 -0.366 568 HD21 LEU 74 1HD2 LEU 74 -4.867 13.252 -2.414 569 HD22 LEU 74 2HD2 LEU 74 -4.788 12.416 -3.961 570 HD23 LEU 74 3HD2 LEU 74 -3.596 12.061 -2.709 571 H SER 75 H SER 75 -6.132 7.416 -5.138 572 HA SER 75 HA SER 75 -3.898 5.824 -4.884 573 HB2 SER 75 2HB SER 75 -5.158 4.227 -6.428 574 HB3 SER 75 1HB SER 75 -6.065 4.821 -5.034 575 HG SER 75 HG SER 75 -7.417 5.763 -6.346 576 H LYS 76 H LYS 76 -5.078 7.305 -7.934 577 HA LYS 76 HA LYS 76 -3.014 6.429 -9.635 578 HB2 LYS 76 2HB LYS 76 -3.720 8.318 -11.141 579 HB3 LYS 76 1HB LYS 76 -5.045 7.293 -10.601 580 HG2 LYS 76 2HG LYS 76 -5.800 8.939 -9.022 581 HG3 LYS 76 1HG LYS 76 -4.367 9.936 -9.283 582 HD2 LYS 76 2HD LYS 76 -5.078 10.450 -11.562 583 HD3 LYS 76 1HD LYS 76 -6.449 9.341 -11.427 584 HE2 LYS 76 2HE LYS 76 -7.124 11.715 -11.175 585 HE3 LYS 76 1HE LYS 76 -7.475 10.771 -9.728 586 HZ1 LYS 76 1HZ LYS 76 -5.538 11.701 -8.666 587 HZ2 LYS 76 2HZ LYS 76 -6.508 12.957 -9.243 588 HZ3 LYS 76 3HZ LYS 76 -5.100 12.533 -10.072 589 H LYS 77 H LYS 77 -3.072 9.096 -7.360 590 HA LYS 77 HA LYS 77 -0.815 10.548 -8.413 591 HB2 LYS 77 2HB LYS 77 -2.720 11.481 -6.965 592 HB3 LYS 77 1HB LYS 77 -1.982 10.686 -5.589 593 HG2 LYS 77 2HG LYS 77 0.008 12.355 -6.928 594 HG3 LYS 77 1HG LYS 77 -1.451 13.289 -6.626 595 HD2 LYS 77 2HD LYS 77 -0.120 13.668 -4.715 596 HD3 LYS 77 1HD LYS 77 -1.305 12.464 -4.199 597 HE2 LYS 77 2HE LYS 77 0.944 11.936 -3.353 598 HE3 LYS 77 1HE LYS 77 0.380 10.686 -4.463 599 HZ1 LYS 77 1HZ LYS 77 1.746 11.725 -6.212 600 HZ2 LYS 77 2HZ LYS 77 2.676 11.231 -4.892 601 HZ3 LYS 77 3HZ LYS 77 2.311 12.866 -5.095 602 H TYR 78 H TYR 78 -1.368 8.001 -6.061 603 HA TYR 78 HA TYR 78 1.386 8.078 -5.042 604 HB2 TYR 78 2HB TYR 78 -1.126 6.610 -4.158 605 HB3 TYR 78 1HB TYR 78 0.453 6.279 -3.450 606 HD1 TYR 78 HD1 TYR 78 -2.372 8.587 -3.485 607 HD2 TYR 78 HD2 TYR 78 1.646 8.112 -2.177 608 HE1 TYR 78 HE1 TYR 78 -2.661 10.461 -1.931 609 HE2 TYR 78 HE2 TYR 78 1.350 9.984 -0.635 610 HH TYR 78 HH TYR 78 -1.668 11.331 0.117 611 H ILE 79 H ILE 79 0.759 7.125 -7.825 612 HA ILE 79 HA ILE 79 1.326 4.312 -7.834 613 HB ILE 79 HB ILE 79 0.245 5.240 -9.785 614 HG12 ILE 79 2HG1 ILE 79 1.695 4.406 -11.624 615 HG13 ILE 79 1HG1 ILE 79 3.086 4.433 -10.545 616 HG21 ILE 79 1HG2 ILE 79 2.654 7.008 -10.260 617 HG22 ILE 79 2HG2 ILE 79 1.071 7.545 -9.697 618 HG23 ILE 79 3HG2 ILE 79 1.245 6.863 -11.316 619 HD11 ILE 79 1HD1 ILE 79 0.636 2.717 -10.170 620 HD12 ILE 79 2HD1 ILE 79 2.111 2.677 -9.195 621 HD13 ILE 79 3HD1 ILE 79 2.156 2.193 -10.890 622 H ILE 80 H ILE 80 3.080 3.810 -6.627 623 HA ILE 80 HA ILE 80 5.650 5.182 -7.021 624 HB ILE 80 HB ILE 80 4.775 4.687 -4.709 625 HG12 ILE 80 2HG1 ILE 80 7.465 3.355 -5.269 626 HG13 ILE 80 1HG1 ILE 80 7.218 5.094 -5.162 627 HG21 ILE 80 1HG2 ILE 80 5.413 1.791 -5.332 628 HG22 ILE 80 2HG2 ILE 80 3.795 2.467 -5.135 629 HG23 ILE 80 3HG2 ILE 80 4.910 2.438 -3.767 630 HD11 ILE 80 1HD1 ILE 80 6.790 3.102 -2.933 631 HD12 ILE 80 2HD1 ILE 80 6.497 4.841 -2.829 632 HD13 ILE 80 3HD1 ILE 80 8.130 4.237 -3.099 633 H GLY 81 H GLY 81 3.987 2.349 -8.030 634 HA2 GLY 81 2HA GLY 81 5.465 1.664 -10.180 635 HA3 GLY 81 1HA GLY 81 6.331 0.841 -8.879 636 H GLU 82 H GLU 82 5.723 -1.171 -9.986 637 HA GLU 82 HA GLU 82 3.004 -2.046 -9.168 638 HB2 GLU 82 2HB GLU 82 3.129 -3.801 -10.869 639 HB3 GLU 82 1HB GLU 82 3.340 -2.220 -11.617 640 HG2 GLU 82 2HG GLU 82 5.735 -2.567 -11.803 641 HG3 GLU 82 1HG GLU 82 5.624 -4.085 -10.921 642 H LEU 83 H LEU 83 2.854 -4.020 -8.087 643 HA LEU 83 HA LEU 83 5.155 -4.819 -6.520 644 HB2 LEU 83 2HB LEU 83 2.656 -4.622 -5.787 645 HB3 LEU 83 1HB LEU 83 2.428 -6.174 -6.557 646 HG LEU 83 HG LEU 83 2.709 -6.205 -4.038 647 HD11 LEU 83 1HD1 LEU 83 4.036 -8.180 -3.880 648 HD12 LEU 83 2HD1 LEU 83 4.754 -7.874 -5.465 649 HD13 LEU 83 3HD1 LEU 83 3.034 -8.234 -5.328 650 HD21 LEU 83 1HD2 LEU 83 4.420 -4.476 -3.840 651 HD22 LEU 83 2HD2 LEU 83 5.599 -5.540 -4.613 652 HD23 LEU 83 3HD2 LEU 83 4.909 -5.973 -3.047 653 H HIS 84 H HIS 84 6.022 -6.931 -6.522 654 HA HIS 84 HA HIS 84 6.529 -8.178 -8.995 655 HB2 HIS 84 2HB HIS 84 7.971 -8.101 -6.830 656 HB3 HIS 84 1HB HIS 84 6.982 -9.433 -6.254 657 HD1 HIS 84 HD1 HIS 84 8.217 -11.554 -6.536 658 HD2 HIS 84 HD2 HIS 84 9.052 -8.858 -9.595 659 HE1 HIS 84 HE1 HIS 84 9.850 -12.731 -8.038 660 HE2 HIS 84 HE2 HIS 84 10.488 -10.996 -9.744 661 HA PRO 85 HA PRO 85 2.455 -10.126 -9.241 662 HB2 PRO 85 2HB PRO 85 3.195 -12.064 -11.215 663 HB3 PRO 85 1HB PRO 85 2.509 -10.456 -11.499 664 HG2 PRO 85 2HG PRO 85 5.345 -11.336 -11.628 665 HG3 PRO 85 1HG PRO 85 4.506 -10.078 -12.557 666 HD2 PRO 85 2HD PRO 85 6.225 -9.457 -10.574 667 HD3 PRO 85 1HD PRO 85 4.787 -8.469 -10.898 668 H ASP 86 H ASP 86 5.316 -12.081 -8.583 669 HA ASP 86 HA ASP 86 3.925 -14.433 -7.681 670 HB2 ASP 86 2HB ASP 86 6.280 -14.493 -8.500 671 HB3 ASP 86 1HB ASP 86 6.790 -13.507 -7.136 672 H ASP 87 H ASP 87 5.376 -11.595 -6.120 673 HA ASP 87 HA ASP 87 5.355 -12.556 -3.454 674 HB2 ASP 87 2HB ASP 87 5.873 -9.920 -4.777 675 HB3 ASP 87 1HB ASP 87 5.437 -9.828 -3.080 676 H ARG 88 H ARG 88 3.009 -10.605 -5.258 677 HA ARG 88 HA ARG 88 1.346 -9.824 -3.141 678 HB2 ARG 88 2HB ARG 88 -0.352 -9.411 -4.882 679 HB3 ARG 88 1HB ARG 88 1.230 -8.823 -5.371 680 HG2 ARG 88 2HG ARG 88 0.614 -9.832 -7.342 681 HG3 ARG 88 1HG ARG 88 1.365 -11.218 -6.562 682 HD2 ARG 88 2HD ARG 88 -1.046 -11.744 -5.684 683 HD3 ARG 88 1HD ARG 88 -1.578 -10.628 -6.939 684 HE ARG 88 HE ARG 88 0.083 -12.472 -8.186 685 HH11 ARG 88 1HH1 ARG 88 -2.958 -12.597 -6.375 686 HH12 ARG 88 2HH1 ARG 88 -3.535 -14.003 -7.221 687 HH21 ARG 88 1HH2 ARG 88 -0.702 -14.323 -9.260 688 HH22 ARG 88 2HH2 ARG 88 -2.252 -14.977 -8.852 689 H SER 89 H SER 89 1.616 -12.845 -4.838 690 HA SER 89 HA SER 89 -0.901 -13.947 -3.931 691 HB2 SER 89 2HB SER 89 0.010 -14.479 -6.170 692 HB3 SER 89 1HB SER 89 1.413 -15.240 -5.427 693 HG SER 89 HG SER 89 -0.163 -16.765 -6.009 694 H LYS 90 H LYS 90 2.599 -14.588 -3.315 695 HA LYS 90 HA LYS 90 2.078 -16.721 -1.492 696 HB2 LYS 90 2HB LYS 90 4.448 -16.826 -1.062 697 HB3 LYS 90 1HB LYS 90 4.192 -16.564 -2.778 698 HG2 LYS 90 2HG LYS 90 4.806 -14.176 -2.500 699 HG3 LYS 90 1HG LYS 90 5.081 -14.459 -0.777 700 HD2 LYS 90 2HD LYS 90 6.855 -16.114 -1.340 701 HD3 LYS 90 1HD LYS 90 6.575 -15.812 -3.057 702 HE2 LYS 90 2HE LYS 90 8.521 -14.567 -2.455 703 HE3 LYS 90 1HE LYS 90 7.220 -13.395 -2.633 704 HZ1 LYS 90 1HZ LYS 90 8.236 -14.477 -0.054 705 HZ2 LYS 90 2HZ LYS 90 6.991 -13.351 -0.222 706 HZ3 LYS 90 3HZ LYS 90 8.561 -12.943 -0.688 707 H ILE 91 H ILE 91 2.425 -13.270 -1.055 708 HA ILE 91 HA ILE 91 1.939 -13.582 1.867 709 HB ILE 91 HB ILE 91 3.028 -11.041 0.566 710 HG12 ILE 91 2HG1 ILE 91 4.708 -13.314 1.728 711 HG13 ILE 91 1HG1 ILE 91 4.584 -12.914 0.019 712 HG21 ILE 91 1HG2 ILE 91 3.871 -10.544 2.841 713 HG22 ILE 91 2HG2 ILE 91 3.212 -12.070 3.432 714 HG23 ILE 91 3HG2 ILE 91 2.125 -10.802 2.864 715 HD11 ILE 91 1HD1 ILE 91 5.765 -11.162 2.164 716 HD12 ILE 91 2HD1 ILE 91 5.619 -10.747 0.454 717 HD13 ILE 91 3HD1 ILE 91 6.643 -12.092 0.950 718 H ALA 92 H ALA 92 -0.070 -13.718 -0.305 719 HA ALA 92 HA ALA 92 -1.774 -11.450 -0.295 720 HB1 ALA 92 1HB ALA 92 -3.579 -13.028 -0.898 721 HB2 ALA 92 2HB ALA 92 -2.547 -14.392 -0.453 722 HB3 ALA 92 3HB ALA 92 -2.110 -13.362 -1.818 723 H LYS 93 H LYS 93 -1.304 -14.090 1.932 724 HA LYS 93 HA LYS 93 -2.361 -12.567 4.156 725 HB2 LYS 93 2HB LYS 93 -3.696 -14.604 4.973 726 HB3 LYS 93 1HB LYS 93 -4.397 -13.690 3.647 727 HG2 LYS 93 2HG LYS 93 -3.593 -15.401 2.041 728 HG3 LYS 93 1HG LYS 93 -2.917 -16.330 3.384 729 HD2 LYS 93 2HD LYS 93 -5.182 -16.616 4.338 730 HD3 LYS 93 1HD LYS 93 -5.866 -15.646 3.032 731 HE2 LYS 93 2HE LYS 93 -5.127 -17.350 1.394 732 HE3 LYS 93 1HE LYS 93 -4.465 -18.322 2.713 733 HZ1 LYS 93 1HZ LYS 93 -6.737 -18.407 3.659 734 HZ2 LYS 93 2HZ LYS 93 -6.618 -19.147 2.149 735 HZ3 LYS 93 3HZ LYS 93 -7.319 -17.621 2.278 736 HA PRO 94 HA PRO 94 1.753 -14.518 5.105 737 HB2 PRO 94 2HB PRO 94 2.130 -12.803 7.314 738 HB3 PRO 94 1HB PRO 94 2.676 -12.473 5.658 739 HG2 PRO 94 2HG PRO 94 0.207 -11.499 7.053 740 HG3 PRO 94 1HG PRO 94 1.305 -10.630 5.953 741 HD2 PRO 94 2HD PRO 94 -1.061 -11.535 5.080 742 HD3 PRO 94 1HD PRO 94 0.379 -11.608 4.037 743 H SER 95 H SER 95 1.477 -16.472 6.017 744 HA SER 95 HA SER 95 0.252 -16.726 8.694 745 HB2 SER 95 2HB SER 95 -1.438 -17.277 6.905 746 HB3 SER 95 1HB SER 95 -0.370 -18.554 6.323 747 HG SER 95 HG SER 95 -1.001 -19.783 7.916 748 H GLU 96 H GLU 96 1.872 -18.679 6.137 749 HA GLU 96 HA GLU 96 3.077 -20.446 8.128 750 HB2 GLU 96 2HB GLU 96 3.326 -20.516 5.092 751 HB3 GLU 96 1HB GLU 96 3.735 -21.814 6.206 752 HG2 GLU 96 2HG GLU 96 0.966 -20.755 5.566 753 HG3 GLU 96 1HG GLU 96 1.635 -22.318 5.107 754 H THR 97 H THR 97 4.048 -17.592 7.800 755 HA THR 97 HA THR 97 6.891 -18.014 7.741 756 HB THR 97 HB THR 97 6.443 -17.957 5.301 757 HG1 THR 97 HG1 THR 97 7.628 -15.465 5.607 758 HG21 THR 97 1HG2 THR 97 5.618 -15.917 4.190 759 HG22 THR 97 2HG2 THR 97 5.340 -15.154 5.757 760 HG23 THR 97 3HG2 THR 97 4.392 -16.567 5.281 761 H LEU 98 H LEU 98 4.101 -15.924 8.088 762 HA LEU 98 HA LEU 98 3.691 -13.791 8.617 763 HB2 LEU 98 2HB LEU 98 4.509 -14.519 10.851 764 HB3 LEU 98 1HB LEU 98 6.146 -14.067 10.401 765 HG LEU 98 HG LEU 98 5.446 -11.670 10.265 766 HD11 LEU 98 1HD1 LEU 98 3.251 -10.952 11.099 767 HD12 LEU 98 2HD1 LEU 98 2.745 -12.636 11.255 768 HD13 LEU 98 3HD1 LEU 98 3.092 -11.960 9.661 769 HD21 LEU 98 1HD2 LEU 98 6.387 -12.526 12.364 770 HD22 LEU 98 2HD2 LEU 98 4.772 -12.970 12.924 771 HD23 LEU 98 3HD2 LEU 98 5.183 -11.271 12.669 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 20.672 3.241 -6.980 2 H2 ALA 1 2H ALA 1 20.015 2.499 -8.344 3 H3 ALA 1 3H ALA 1 19.140 2.532 -6.904 4 HA ALA 1 HA ALA 1 18.945 4.914 -7.010 5 HB1 ALA 1 1HB ALA 1 21.077 5.354 -8.170 6 HB2 ALA 1 2HB ALA 1 19.737 6.147 -9.002 7 HB3 ALA 1 3HB ALA 1 20.423 4.656 -9.652 8 H GLU 2 H GLU 2 18.822 2.870 -9.935 9 HA GLU 2 HA GLU 2 15.959 3.549 -10.358 10 HB2 GLU 2 2HB GLU 2 17.483 4.403 -12.131 11 HB3 GLU 2 1HB GLU 2 18.112 2.781 -12.392 12 HG2 GLU 2 2HG GLU 2 15.778 2.075 -13.074 13 HG3 GLU 2 1HG GLU 2 15.301 3.772 -12.978 14 H GLN 3 H GLN 3 14.568 1.851 -10.982 15 HA GLN 3 HA GLN 3 14.974 -0.786 -10.021 16 HB2 GLN 3 2HB GLN 3 12.736 0.371 -10.368 17 HB3 GLN 3 1HB GLN 3 12.956 0.199 -12.102 18 HG2 GLN 3 2HG GLN 3 11.427 -1.499 -11.299 19 HG3 GLN 3 1HG GLN 3 12.915 -2.274 -11.840 20 HE21 GLN 3 1HE2 GLN 3 14.176 -3.378 -10.322 21 HE22 GLN 3 2HE2 GLN 3 13.675 -3.641 -8.690 22 H SER 4 H SER 4 15.436 -2.711 -11.182 23 HA SER 4 HA SER 4 17.208 -2.690 -13.360 24 HB2 SER 4 2HB SER 4 16.721 -5.207 -13.383 25 HB3 SER 4 1HB SER 4 17.201 -4.545 -11.824 26 HG SER 4 HG SER 4 14.821 -5.675 -12.583 27 H ASP 5 H ASP 5 13.718 -2.965 -13.245 28 HA ASP 5 HA ASP 5 13.200 -3.465 -16.005 29 HB2 ASP 5 2HB ASP 5 11.540 -3.827 -14.212 30 HB3 ASP 5 1HB ASP 5 11.511 -2.108 -13.857 31 H LYS 6 H LYS 6 12.216 -1.861 -17.498 32 HA LYS 6 HA LYS 6 13.606 0.325 -18.286 33 HB2 LYS 6 2HB LYS 6 11.823 -0.557 -19.646 34 HB3 LYS 6 1HB LYS 6 10.625 -0.206 -18.407 35 HG2 LYS 6 2HG LYS 6 11.214 2.291 -18.820 36 HG3 LYS 6 1HG LYS 6 11.992 1.722 -20.299 37 HD2 LYS 6 2HD LYS 6 9.882 0.830 -21.132 38 HD3 LYS 6 1HD LYS 6 9.091 1.134 -19.580 39 HE2 LYS 6 2HE LYS 6 9.490 3.578 -19.916 40 HE3 LYS 6 1HE LYS 6 10.117 3.221 -21.527 41 HZ1 LYS 6 1HZ LYS 6 7.372 2.622 -20.563 42 HZ2 LYS 6 2HZ LYS 6 7.959 2.303 -22.113 43 HZ3 LYS 6 3HZ LYS 6 7.802 3.896 -21.584 44 H ASP 7 H ASP 7 10.887 0.417 -15.967 45 HA ASP 7 HA ASP 7 11.706 2.966 -14.872 46 HB2 ASP 7 2HB ASP 7 10.556 3.793 -16.851 47 HB3 ASP 7 1HB ASP 7 9.176 2.746 -16.563 48 H VAL 8 H VAL 8 8.735 0.917 -15.130 49 HA VAL 8 HA VAL 8 7.677 1.820 -12.686 50 HB VAL 8 HB VAL 8 6.006 -0.010 -12.832 51 HG11 VAL 8 1HG1 VAL 8 5.631 2.063 -14.086 52 HG12 VAL 8 2HG1 VAL 8 4.967 0.684 -14.965 53 HG13 VAL 8 3HG1 VAL 8 6.494 1.405 -15.480 54 HG21 VAL 8 1HG2 VAL 8 7.405 -1.839 -13.699 55 HG22 VAL 8 2HG2 VAL 8 7.584 -1.000 -15.240 56 HG23 VAL 8 3HG2 VAL 8 5.996 -1.592 -14.736 57 H LYS 9 H LYS 9 7.834 1.160 -10.627 58 HA LYS 9 HA LYS 9 10.135 -0.489 -9.975 59 HB2 LYS 9 2HB LYS 9 8.372 1.244 -8.199 60 HB3 LYS 9 1HB LYS 9 9.842 0.416 -7.679 61 HG2 LYS 9 2HG LYS 9 11.167 1.779 -9.272 62 HG3 LYS 9 1HG LYS 9 9.691 2.610 -9.780 63 HD2 LYS 9 2HD LYS 9 10.930 3.983 -8.169 64 HD3 LYS 9 1HD LYS 9 9.386 3.477 -7.475 65 HE2 LYS 9 2HE LYS 9 10.632 1.617 -6.297 66 HE3 LYS 9 1HE LYS 9 12.137 2.342 -6.872 67 HZ1 LYS 9 1HZ LYS 9 11.453 4.405 -5.729 68 HZ2 LYS 9 2HZ LYS 9 11.695 3.104 -4.682 69 HZ3 LYS 9 3HZ LYS 9 10.128 3.580 -5.078 70 H TYR 10 H TYR 10 9.790 -2.586 -9.825 71 HA TYR 10 HA TYR 10 7.360 -3.799 -8.863 72 HB2 TYR 10 2HB TYR 10 10.103 -5.012 -9.437 73 HB3 TYR 10 1HB TYR 10 8.673 -5.943 -9.004 74 HD1 TYR 10 HD1 TYR 10 9.480 -3.233 -11.482 75 HD2 TYR 10 HD2 TYR 10 7.740 -7.077 -10.853 76 HE1 TYR 10 HE1 TYR 10 8.937 -3.369 -13.854 77 HE2 TYR 10 HE2 TYR 10 7.188 -7.213 -13.256 78 HH TYR 10 HH TYR 10 8.514 -5.017 -15.538 79 H TYR 11 H TYR 11 7.063 -2.981 -6.791 80 HA TYR 11 HA TYR 11 8.987 -3.425 -4.682 81 HB2 TYR 11 2HB TYR 11 6.077 -2.556 -4.754 82 HB3 TYR 11 1HB TYR 11 6.787 -3.080 -3.230 83 HD1 TYR 11 HD1 TYR 11 7.980 -1.543 -1.905 84 HD2 TYR 11 HD2 TYR 11 7.350 -0.656 -6.037 85 HE1 TYR 11 HE1 TYR 11 9.014 0.661 -1.593 86 HE2 TYR 11 HE2 TYR 11 8.379 1.546 -5.725 87 HH TYR 11 HH TYR 11 10.141 2.349 -2.899 88 H THR 12 H THR 12 9.091 -5.148 -3.347 89 HA THR 12 HA THR 12 7.609 -7.572 -4.139 90 HB THR 12 HB THR 12 9.356 -8.734 -2.688 91 HG1 THR 12 HG1 THR 12 10.269 -7.279 -1.410 92 HG21 THR 12 1HG2 THR 12 11.194 -8.540 -4.327 93 HG22 THR 12 2HG2 THR 12 10.440 -7.097 -5.007 94 HG23 THR 12 3HG2 THR 12 9.628 -8.660 -5.136 95 H LEU 13 H LEU 13 6.231 -8.524 -2.712 96 HA LEU 13 HA LEU 13 5.085 -6.902 -0.678 97 HB2 LEU 13 2HB LEU 13 3.931 -8.568 -2.275 98 HB3 LEU 13 1HB LEU 13 4.452 -9.833 -1.177 99 HG LEU 13 HG LEU 13 3.023 -8.994 0.597 100 HD11 LEU 13 1HD1 LEU 13 1.628 -6.964 0.343 101 HD12 LEU 13 2HD1 LEU 13 2.438 -6.597 -1.184 102 HD13 LEU 13 3HD1 LEU 13 3.351 -6.587 0.329 103 HD21 LEU 13 1HD2 LEU 13 1.926 -10.375 -1.123 104 HD22 LEU 13 2HD2 LEU 13 1.516 -8.925 -2.044 105 HD23 LEU 13 3HD2 LEU 13 0.804 -9.193 -0.450 106 H GLU 14 H GLU 14 7.481 -9.376 -0.690 107 HA GLU 14 HA GLU 14 7.501 -10.016 2.094 108 HB2 GLU 14 2HB GLU 14 8.494 -11.349 0.152 109 HB3 GLU 14 1HB GLU 14 9.835 -10.214 0.132 110 HG2 GLU 14 2HG GLU 14 10.681 -10.984 2.173 111 HG3 GLU 14 1HG GLU 14 9.133 -11.655 2.687 112 H GLU 15 H GLU 15 9.020 -7.522 0.100 113 HA GLU 15 HA GLU 15 10.613 -6.290 2.132 114 HB2 GLU 15 2HB GLU 15 10.970 -5.834 -0.279 115 HB3 GLU 15 1HB GLU 15 9.375 -5.113 -0.398 116 HG2 GLU 15 2HG GLU 15 11.027 -3.364 -0.362 117 HG3 GLU 15 1HG GLU 15 10.101 -3.301 1.135 118 H ILE 16 H ILE 16 7.350 -5.689 0.829 119 HA ILE 16 HA ILE 16 6.766 -3.436 2.474 120 HB ILE 16 HB ILE 16 4.696 -5.191 1.058 121 HG12 ILE 16 2HG1 ILE 16 6.275 -2.861 -0.159 122 HG13 ILE 16 1HG1 ILE 16 6.511 -4.554 -0.560 123 HG21 ILE 16 1HG2 ILE 16 4.691 -2.228 1.751 124 HG22 ILE 16 2HG2 ILE 16 3.821 -3.486 2.627 125 HG23 ILE 16 3HG2 ILE 16 3.382 -3.110 0.961 126 HD11 ILE 16 1HD1 ILE 16 4.032 -2.929 -1.088 127 HD12 ILE 16 2HD1 ILE 16 4.219 -4.649 -1.439 128 HD13 ILE 16 3HD1 ILE 16 5.225 -3.466 -2.270 129 H GLN 17 H GLN 17 6.506 -6.881 2.910 130 HA GLN 17 HA GLN 17 4.642 -7.070 5.023 131 HB2 GLN 17 2HB GLN 17 5.543 -9.010 3.664 132 HB3 GLN 17 1HB GLN 17 7.054 -8.883 4.554 133 HG2 GLN 17 2HG GLN 17 5.835 -9.388 6.658 134 HG3 GLN 17 1HG GLN 17 4.335 -9.548 5.744 135 HE21 GLN 17 1HE2 GLN 17 5.715 -11.532 7.395 136 HE22 GLN 17 2HE2 GLN 17 6.022 -12.885 6.363 137 H LYS 18 H LYS 18 7.872 -5.886 4.935 138 HA LYS 18 HA LYS 18 8.274 -5.813 7.818 139 HB2 LYS 18 2HB LYS 18 9.806 -4.421 5.571 140 HB3 LYS 18 1HB LYS 18 10.356 -4.628 7.228 141 HG2 LYS 18 2HG LYS 18 9.886 -6.883 5.248 142 HG3 LYS 18 1HG LYS 18 11.456 -6.177 5.622 143 HD2 LYS 18 2HD LYS 18 9.663 -7.649 7.598 144 HD3 LYS 18 1HD LYS 18 11.092 -8.320 6.809 145 HE2 LYS 18 2HE LYS 18 11.023 -6.031 8.803 146 HE3 LYS 18 1HE LYS 18 11.681 -7.647 9.063 147 HZ1 LYS 18 1HZ LYS 18 13.380 -7.189 7.414 148 HZ2 LYS 18 2HZ LYS 18 13.415 -6.019 8.629 149 HZ3 LYS 18 3HZ LYS 18 12.738 -5.651 7.128 150 H HIS 19 H HIS 19 5.861 -4.696 7.439 151 HA HIS 19 HA HIS 19 6.026 -1.780 7.104 152 HB2 HIS 19 2HB HIS 19 3.470 -1.927 7.223 153 HB3 HIS 19 1HB HIS 19 4.223 -2.729 5.854 154 HD1 HIS 19 HD1 HIS 19 3.986 -5.289 5.695 155 HD2 HIS 19 HD2 HIS 19 2.185 -3.694 9.068 156 HE1 HIS 19 HE1 HIS 19 2.625 -7.157 6.672 157 HE2 HIS 19 HE2 HIS 19 1.323 -6.054 8.524 158 H LYS 20 H LYS 20 7.389 -1.947 9.141 159 HA LYS 20 HA LYS 20 5.866 -1.983 11.661 160 HB2 LYS 20 2HB LYS 20 8.849 -1.767 11.057 161 HB3 LYS 20 1HB LYS 20 8.204 -1.498 12.667 162 HG2 LYS 20 2HG LYS 20 9.083 -3.728 12.554 163 HG3 LYS 20 1HG LYS 20 7.326 -3.830 12.687 164 HD2 LYS 20 2HD LYS 20 7.188 -4.262 10.239 165 HD3 LYS 20 1HD LYS 20 8.951 -4.177 10.135 166 HE2 LYS 20 2HE LYS 20 8.100 -6.516 10.200 167 HE3 LYS 20 1HE LYS 20 9.174 -6.151 11.552 168 HZ1 LYS 20 1HZ LYS 20 6.204 -6.147 11.693 169 HZ2 LYS 20 2HZ LYS 20 7.268 -5.901 12.982 170 HZ3 LYS 20 3HZ LYS 20 7.204 -7.400 12.218 171 H ASP 21 H ASP 21 7.542 0.250 9.518 172 HA ASP 21 HA ASP 21 6.682 2.571 11.162 173 HB2 ASP 21 2HB ASP 21 9.239 2.019 11.002 174 HB3 ASP 21 1HB ASP 21 9.131 2.558 9.335 175 H SER 22 H SER 22 6.321 4.511 9.909 176 HA SER 22 HA SER 22 4.410 4.262 7.903 177 HB2 SER 22 2HB SER 22 6.124 6.693 8.572 178 HB3 SER 22 1HB SER 22 4.585 6.722 7.706 179 HG SER 22 HG SER 22 4.269 5.405 9.983 180 H LYS 23 H LYS 23 7.865 4.914 7.687 181 HA LYS 23 HA LYS 23 7.923 5.657 4.952 182 HB2 LYS 23 2HB LYS 23 10.474 5.319 5.228 183 HB3 LYS 23 1HB LYS 23 9.680 6.544 6.199 184 HG2 LYS 23 2HG LYS 23 11.221 5.510 7.655 185 HG3 LYS 23 1HG LYS 23 9.650 4.882 8.112 186 HD2 LYS 23 2HD LYS 23 11.305 3.104 8.170 187 HD3 LYS 23 1HD LYS 23 10.131 2.784 6.893 188 HE2 LYS 23 2HE LYS 23 12.356 2.254 6.100 189 HE3 LYS 23 1HE LYS 23 11.773 3.669 5.225 190 HZ1 LYS 23 1HZ LYS 23 13.687 3.648 7.492 191 HZ2 LYS 23 2HZ LYS 23 13.085 5.043 6.761 192 HZ3 LYS 23 3HZ LYS 23 14.045 3.977 5.879 193 H SER 24 H SER 24 7.784 2.606 6.458 194 HA SER 24 HA SER 24 8.411 1.181 3.928 195 HB2 SER 24 2HB SER 24 8.526 0.217 6.814 196 HB3 SER 24 1HB SER 24 8.829 -0.799 5.402 197 HG SER 24 HG SER 24 10.410 1.122 4.973 198 H THR 25 H THR 25 5.807 2.476 4.840 199 HA THR 25 HA THR 25 4.036 0.100 4.947 200 HB THR 25 HB THR 25 3.436 3.037 5.543 201 HG1 THR 25 HG1 THR 25 4.639 1.463 7.075 202 HG21 THR 25 1HG2 THR 25 1.219 2.291 6.334 203 HG22 THR 25 2HG2 THR 25 1.581 0.638 5.834 204 HG23 THR 25 3HG2 THR 25 1.424 1.912 4.623 205 H TRP 26 H TRP 26 3.492 -0.534 2.939 206 HA TRP 26 HA TRP 26 2.355 1.400 1.018 207 HB2 TRP 26 2HB TRP 26 4.171 -0.934 0.201 208 HB3 TRP 26 1HB TRP 26 3.419 0.228 -0.887 209 HD1 TRP 26 HD TRP 26 4.319 2.906 -0.437 210 HE1 TRP 26 HE1 TRP 26 6.702 3.708 0.047 211 HE3 TRP 26 HE3 TRP 26 6.373 -1.518 1.091 212 HZ2 TRP 26 HZ2 TRP 26 9.151 2.616 0.928 213 HZ3 TRP 26 HZ3 TRP 26 8.748 -1.562 1.728 214 HH2 TRP 26 HH TRP 26 10.110 0.467 1.648 215 H VAL 27 H VAL 27 0.777 0.302 -0.448 216 HA VAL 27 HA VAL 27 -0.334 -2.221 0.685 217 HB VAL 27 HB VAL 27 -2.625 -1.428 0.163 218 HG11 VAL 27 1HG1 VAL 27 -1.174 0.349 2.140 219 HG12 VAL 27 2HG1 VAL 27 -1.863 -1.244 2.459 220 HG13 VAL 27 3HG1 VAL 27 -2.924 0.111 2.068 221 HG21 VAL 27 1HG2 VAL 27 -2.130 0.214 -1.585 222 HG22 VAL 27 2HG2 VAL 27 -1.350 1.275 -0.410 223 HG23 VAL 27 3HG2 VAL 27 -3.086 0.962 -0.303 224 H ILE 28 H ILE 28 -1.460 -3.564 -0.810 225 HA ILE 28 HA ILE 28 -1.003 -3.010 -3.670 226 HB ILE 28 HB ILE 28 -0.064 -5.154 -4.152 227 HG12 ILE 28 2HG1 ILE 28 0.513 -6.672 -1.910 228 HG13 ILE 28 1HG1 ILE 28 -1.045 -6.016 -1.447 229 HG21 ILE 28 1HG2 ILE 28 2.041 -5.155 -2.805 230 HG22 ILE 28 2HG2 ILE 28 1.298 -4.019 -1.686 231 HG23 ILE 28 3HG2 ILE 28 1.570 -3.552 -3.365 232 HD11 ILE 28 1HD1 ILE 28 -0.474 -7.650 -3.923 233 HD12 ILE 28 2HD1 ILE 28 -2.056 -7.024 -3.447 234 HD13 ILE 28 3HD1 ILE 28 -1.241 -8.223 -2.442 235 H LEU 29 H LEU 29 -2.698 -3.486 -4.910 236 HA LEU 29 HA LEU 29 -5.188 -4.283 -3.681 237 HB2 LEU 29 2HB LEU 29 -4.418 -3.504 -6.519 238 HB3 LEU 29 1HB LEU 29 -6.019 -4.110 -6.139 239 HG LEU 29 HG LEU 29 -5.982 -1.642 -6.286 240 HD11 LEU 29 1HD1 LEU 29 -7.649 -2.695 -4.850 241 HD12 LEU 29 2HD1 LEU 29 -7.157 -1.132 -4.210 242 HD13 LEU 29 3HD1 LEU 29 -6.546 -2.614 -3.474 243 HD21 LEU 29 1HD2 LEU 29 -3.687 -1.216 -5.523 244 HD22 LEU 29 2HD2 LEU 29 -4.133 -1.687 -3.883 245 HD23 LEU 29 3HD2 LEU 29 -4.856 -0.252 -4.619 246 H HIS 30 H HIS 30 -2.910 -5.595 -6.037 247 HA HIS 30 HA HIS 30 -3.298 -8.289 -5.318 248 HB2 HIS 30 2HB HIS 30 -5.465 -7.906 -6.605 249 HB3 HIS 30 1HB HIS 30 -4.500 -7.616 -8.048 250 HD1 HIS 30 HD1 HIS 30 -4.440 -9.651 -9.482 251 HD2 HIS 30 HD2 HIS 30 -4.625 -10.610 -5.441 252 HE1 HIS 30 HE1 HIS 30 -4.482 -12.159 -9.379 253 HE2 HIS 30 HE2 HIS 30 -4.845 -12.689 -6.948 254 H HIS 31 H HIS 31 -2.577 -6.327 -8.238 255 HA HIS 31 HA HIS 31 0.030 -7.728 -8.545 256 HB2 HIS 31 2HB HIS 31 -1.494 -8.175 -10.436 257 HB3 HIS 31 1HB HIS 31 -1.738 -6.448 -10.684 258 HD1 HIS 31 HD1 HIS 31 0.832 -9.164 -11.142 259 HD2 HIS 31 HD2 HIS 31 0.290 -5.172 -12.174 260 HE1 HIS 31 HE1 HIS 31 2.665 -8.628 -12.759 261 HE2 HIS 31 HE2 HIS 31 2.462 -6.154 -13.153 262 H LYS 32 H LYS 32 -1.452 -4.667 -7.916 263 HA LYS 32 HA LYS 32 0.994 -3.212 -8.777 264 HB2 LYS 32 2HB LYS 32 -1.092 -2.728 -10.090 265 HB3 LYS 32 1HB LYS 32 -1.850 -2.141 -8.613 266 HG2 LYS 32 2HG LYS 32 -0.133 -0.355 -8.453 267 HG3 LYS 32 1HG LYS 32 0.610 -0.943 -9.942 268 HD2 LYS 32 2HD LYS 32 -2.239 0.112 -9.713 269 HD3 LYS 32 1HD LYS 32 -0.863 1.023 -10.326 270 HE2 LYS 32 2HE LYS 32 -0.604 -0.584 -12.172 271 HE3 LYS 32 1HE LYS 32 -1.970 -1.521 -11.556 272 HZ1 LYS 32 1HZ LYS 32 -3.399 0.394 -11.929 273 HZ2 LYS 32 2HZ LYS 32 -2.633 -0.068 -13.362 274 HZ3 LYS 32 3HZ LYS 32 -2.092 1.286 -12.514 275 H VAL 33 H VAL 33 1.845 -1.658 -7.412 276 HA VAL 33 HA VAL 33 0.899 -1.654 -4.608 277 HB VAL 33 HB VAL 33 3.236 -2.581 -4.973 278 HG11 VAL 33 1HG1 VAL 33 5.103 -1.075 -5.508 279 HG12 VAL 33 2HG1 VAL 33 3.975 0.255 -5.782 280 HG13 VAL 33 3HG1 VAL 33 3.956 -1.149 -6.847 281 HG21 VAL 33 1HG2 VAL 33 4.302 -1.315 -3.135 282 HG22 VAL 33 2HG2 VAL 33 2.601 -1.646 -2.797 283 HG23 VAL 33 3HG2 VAL 33 3.096 -0.034 -3.318 284 H TYR 34 H TYR 34 0.491 0.270 -3.654 285 HA TYR 34 HA TYR 34 1.052 2.796 -5.071 286 HB2 TYR 34 2HB TYR 34 -1.345 2.088 -3.314 287 HB3 TYR 34 1HB TYR 34 -0.962 3.731 -3.827 288 HD1 TYR 34 HD1 TYR 34 -2.251 0.460 -4.917 289 HD2 TYR 34 HD2 TYR 34 -1.230 4.402 -6.188 290 HE1 TYR 34 HE1 TYR 34 -3.477 0.107 -7.015 291 HE2 TYR 34 HE2 TYR 34 -2.458 4.042 -8.281 292 HH TYR 34 HH TYR 34 -4.596 1.460 -8.725 293 H ASP 35 H ASP 35 1.910 4.408 -3.896 294 HA ASP 35 HA ASP 35 3.433 3.741 -1.604 295 HB2 ASP 35 2HB ASP 35 4.210 5.445 -3.222 296 HB3 ASP 35 1HB ASP 35 2.850 6.487 -2.796 297 H LEU 36 H LEU 36 2.674 3.574 0.408 298 HA LEU 36 HA LEU 36 0.209 5.014 1.174 299 HB2 LEU 36 2HB LEU 36 0.719 2.350 1.371 300 HB3 LEU 36 1HB LEU 36 1.346 2.851 2.925 301 HG LEU 36 HG LEU 36 -0.965 2.058 3.118 302 HD11 LEU 36 1HD1 LEU 36 -1.985 3.910 4.290 303 HD12 LEU 36 2HD1 LEU 36 -0.871 5.050 3.532 304 HD13 LEU 36 3HD1 LEU 36 -0.264 3.829 4.653 305 HD21 LEU 36 1HD2 LEU 36 -1.741 4.298 1.230 306 HD22 LEU 36 2HD2 LEU 36 -2.832 3.163 2.031 307 HD23 LEU 36 3HD2 LEU 36 -1.690 2.585 0.826 308 H THR 37 H THR 37 3.601 4.753 1.757 309 HA THR 37 HA THR 37 4.177 5.780 4.183 310 HB THR 37 HB THR 37 5.444 6.493 1.504 311 HG1 THR 37 HG1 THR 37 6.991 4.827 2.575 312 HG21 THR 37 1HG2 THR 37 7.510 7.005 2.779 313 HG22 THR 37 2HG2 THR 37 6.619 6.842 4.293 314 HG23 THR 37 3HG2 THR 37 6.210 8.133 3.157 315 H LYS 38 H LYS 38 3.128 7.705 1.380 316 HA LYS 38 HA LYS 38 3.108 10.220 2.891 317 HB2 LYS 38 2HB LYS 38 4.056 10.079 0.587 318 HB3 LYS 38 1HB LYS 38 2.491 9.594 -0.018 319 HG2 LYS 38 2HG LYS 38 2.768 11.856 -0.639 320 HG3 LYS 38 1HG LYS 38 1.601 11.863 0.678 321 HD2 LYS 38 2HD LYS 38 4.549 12.390 1.187 322 HD3 LYS 38 1HD LYS 38 3.477 13.677 0.635 323 HE2 LYS 38 2HE LYS 38 3.112 12.057 3.176 324 HE3 LYS 38 1HE LYS 38 3.743 13.690 3.092 325 HZ1 LYS 38 1HZ LYS 38 1.596 14.375 2.109 326 HZ2 LYS 38 2HZ LYS 38 1.459 13.782 3.683 327 HZ3 LYS 38 3HZ LYS 38 1.002 12.810 2.378 328 H PHE 39 H PHE 39 0.899 7.787 1.709 329 HA PHE 39 HA PHE 39 -1.508 9.307 1.675 330 HB2 PHE 39 2HB PHE 39 -1.235 7.206 0.390 331 HB3 PHE 39 1HB PHE 39 -1.166 6.284 1.887 332 HD1 PHE 39 HD1 PHE 39 -3.420 8.564 -0.070 333 HD2 PHE 39 HD2 PHE 39 -3.203 5.416 2.815 334 HE1 PHE 39 HE1 PHE 39 -5.866 8.316 -0.146 335 HE2 PHE 39 HE2 PHE 39 -5.653 5.176 2.729 336 HZ PHE 39 HZ PHE 39 -6.979 6.627 1.250 337 H LEU 40 H LEU 40 0.135 7.559 4.253 338 HA LEU 40 HA LEU 40 -2.124 7.665 6.059 339 HB2 LEU 40 2HB LEU 40 -0.506 6.790 7.751 340 HB3 LEU 40 1HB LEU 40 -0.665 5.819 6.304 341 HG LEU 40 HG LEU 40 1.536 7.079 5.526 342 HD11 LEU 40 1HD1 LEU 40 1.627 8.687 7.368 343 HD12 LEU 40 2HD1 LEU 40 3.064 7.672 7.308 344 HD13 LEU 40 3HD1 LEU 40 1.820 7.364 8.524 345 HD21 LEU 40 1HD2 LEU 40 2.929 5.312 6.486 346 HD22 LEU 40 2HD2 LEU 40 1.400 4.661 5.901 347 HD23 LEU 40 3HD2 LEU 40 1.650 4.897 7.633 348 H GLU 41 H GLU 41 0.375 9.822 5.139 349 HA GLU 41 HA GLU 41 0.270 11.530 7.474 350 HB2 GLU 41 2HB GLU 41 1.398 12.092 4.702 351 HB3 GLU 41 1HB GLU 41 1.698 13.051 6.146 352 HG2 GLU 41 2HG GLU 41 2.541 10.150 5.839 353 HG3 GLU 41 1HG GLU 41 3.574 11.514 5.432 354 H GLU 42 H GLU 42 -1.649 11.114 4.622 355 HA GLU 42 HA GLU 42 -2.922 13.618 4.418 356 HB2 GLU 42 2HB GLU 42 -4.142 10.864 3.925 357 HB3 GLU 42 1HB GLU 42 -4.734 12.393 3.299 358 HG2 GLU 42 2HG GLU 42 -2.254 10.882 2.504 359 HG3 GLU 42 1HG GLU 42 -3.623 11.339 1.494 360 H PHE 43 H PHE 43 -3.410 10.876 6.531 361 HA PHE 43 HA PHE 43 -5.653 12.121 7.954 362 HB2 PHE 43 2HB PHE 43 -4.321 9.486 8.681 363 HB3 PHE 43 1HB PHE 43 -5.973 10.000 9.000 364 HD1 PHE 43 HD1 PHE 43 -3.976 7.937 6.966 365 HD2 PHE 43 HD2 PHE 43 -7.402 10.489 6.794 366 HE1 PHE 43 HE1 PHE 43 -4.689 6.856 4.885 367 HE2 PHE 43 HE2 PHE 43 -8.110 9.382 4.719 368 HZ PHE 43 HZ PHE 43 -6.748 7.574 3.769 369 HA PRO 44 HA PRO 44 -2.783 13.961 11.034 370 HB2 PRO 44 2HB PRO 44 -5.206 13.614 12.807 371 HB3 PRO 44 1HB PRO 44 -4.195 15.055 12.547 372 HG2 PRO 44 2HG PRO 44 -6.586 14.901 11.432 373 HG3 PRO 44 1HG PRO 44 -5.228 15.584 10.513 374 HD2 PRO 44 2HD PRO 44 -6.504 12.867 10.277 375 HD3 PRO 44 1HD PRO 44 -5.887 13.939 8.999 376 H GLY 45 H GLY 45 -1.457 12.104 11.100 377 HA2 GLY 45 2HA GLY 45 -0.344 10.348 12.070 378 HA3 GLY 45 1HA GLY 45 -1.262 10.664 13.536 379 H GLY 46 H GLY 46 -2.281 9.662 10.267 380 HA2 GLY 46 2HA GLY 46 -4.070 7.648 11.429 381 HA3 GLY 46 1HA GLY 46 -4.106 8.279 9.796 382 H GLU 47 H GLU 47 -1.137 7.135 11.225 383 HA GLU 47 HA GLU 47 -0.687 5.119 9.254 384 HB2 GLU 47 2HB GLU 47 1.204 6.230 10.261 385 HB3 GLU 47 1HB GLU 47 0.666 5.823 11.885 386 HG2 GLU 47 2HG GLU 47 1.097 3.374 11.269 387 HG3 GLU 47 1HG GLU 47 1.892 3.979 9.814 388 H GLU 48 H GLU 48 -1.813 5.098 12.594 389 HA GLU 48 HA GLU 48 -1.436 2.414 13.225 390 HB2 GLU 48 2HB GLU 48 -3.255 2.936 15.058 391 HB3 GLU 48 1HB GLU 48 -1.702 3.747 15.095 392 HG2 GLU 48 2HG GLU 48 -3.533 5.270 15.644 393 HG3 GLU 48 1HG GLU 48 -2.673 5.780 14.195 394 H VAL 49 H VAL 49 -4.068 3.810 11.410 395 HA VAL 49 HA VAL 49 -5.947 1.632 11.881 396 HB VAL 49 HB VAL 49 -6.665 4.008 11.692 397 HG11 VAL 49 1HG1 VAL 49 -5.145 4.802 9.960 398 HG12 VAL 49 2HG1 VAL 49 -6.817 5.138 9.514 399 HG13 VAL 49 3HG1 VAL 49 -5.955 3.800 8.751 400 HG21 VAL 49 1HG2 VAL 49 -7.949 2.211 9.605 401 HG22 VAL 49 2HG2 VAL 49 -8.679 3.654 10.311 402 HG23 VAL 49 3HG2 VAL 49 -8.336 2.254 11.326 403 H LEU 50 H LEU 50 -3.494 2.304 9.512 404 HA LEU 50 HA LEU 50 -4.763 0.494 7.520 405 HB2 LEU 50 2HB LEU 50 -3.435 1.935 5.813 406 HB3 LEU 50 1HB LEU 50 -4.907 2.577 6.512 407 HG LEU 50 HG LEU 50 -3.445 3.869 8.161 408 HD11 LEU 50 1HD1 LEU 50 -1.126 4.368 7.477 409 HD12 LEU 50 2HD1 LEU 50 -1.216 3.077 6.279 410 HD13 LEU 50 3HD1 LEU 50 -1.355 2.702 7.993 411 HD21 LEU 50 1HD2 LEU 50 -4.582 4.962 6.315 412 HD22 LEU 50 2HD2 LEU 50 -3.247 4.586 5.224 413 HD23 LEU 50 3HD2 LEU 50 -2.998 5.688 6.581 414 H ARG 51 H ARG 51 -1.854 1.251 9.270 415 HA ARG 51 HA ARG 51 0.101 0.075 7.612 416 HB2 ARG 51 2HB ARG 51 0.630 1.632 9.484 417 HB3 ARG 51 1HB ARG 51 0.132 0.409 10.646 418 HG2 ARG 51 2HG ARG 51 2.009 -1.055 9.805 419 HG3 ARG 51 1HG ARG 51 2.528 0.284 8.778 420 HD2 ARG 51 2HD ARG 51 3.852 0.171 10.852 421 HD3 ARG 51 1HD ARG 51 2.926 1.674 10.768 422 HE ARG 51 HE ARG 51 1.532 -0.389 12.191 423 HH11 ARG 51 1HH1 ARG 51 4.042 2.065 12.620 424 HH12 ARG 51 2HH1 ARG 51 3.781 2.178 14.335 425 HH21 ARG 51 1HH2 ARG 51 1.206 -0.203 14.424 426 HH22 ARG 51 2HH2 ARG 51 2.173 0.891 15.357 427 H GLU 52 H GLU 52 -2.079 -1.254 9.965 428 HA GLU 52 HA GLU 52 -1.033 -3.790 10.457 429 HB2 GLU 52 2HB GLU 52 -2.860 -2.831 11.753 430 HB3 GLU 52 1HB GLU 52 -3.916 -2.816 10.346 431 HG2 GLU 52 2HG GLU 52 -3.976 -5.256 10.325 432 HG3 GLU 52 1HG GLU 52 -2.826 -5.321 11.662 433 H GLN 53 H GLN 53 -3.614 -2.963 8.072 434 HA GLN 53 HA GLN 53 -3.434 -5.553 6.803 435 HB2 GLN 53 2HB GLN 53 -5.009 -3.086 5.998 436 HB3 GLN 53 1HB GLN 53 -5.147 -4.661 5.223 437 HG2 GLN 53 2HG GLN 53 -5.929 -5.591 7.433 438 HG3 GLN 53 1HG GLN 53 -5.938 -3.940 8.061 439 HE21 GLN 53 1HE2 GLN 53 -8.190 -3.921 8.390 440 HE22 GLN 53 2HE2 GLN 53 -9.319 -3.873 7.089 441 H ALA 54 H ALA 54 -1.864 -2.508 6.344 442 HA ALA 54 HA ALA 54 -1.094 -2.678 3.622 443 HB1 ALA 54 1HB ALA 54 0.467 -1.486 5.946 444 HB2 ALA 54 2HB ALA 54 -0.753 -0.641 4.993 445 HB3 ALA 54 3HB ALA 54 0.752 -1.163 4.232 446 H GLY 55 H GLY 55 0.933 -3.480 2.709 447 HA2 GLY 55 2HA GLY 55 2.517 -5.141 2.391 448 HA3 GLY 55 1HA GLY 55 2.541 -5.404 4.129 449 H GLY 56 H GLY 56 -0.404 -5.521 2.257 450 HA2 GLY 56 2HA GLY 56 -0.434 -8.272 1.555 451 HA3 GLY 56 1HA GLY 56 -1.297 -8.030 3.073 452 H ASP 57 H ASP 57 -2.918 -6.179 3.024 453 HA ASP 57 HA ASP 57 -4.656 -6.565 0.678 454 HB2 ASP 57 2HB ASP 57 -5.425 -7.129 3.059 455 HB3 ASP 57 1HB ASP 57 -5.421 -5.400 3.399 456 H ALA 58 H ALA 58 -5.855 -4.837 -0.205 457 HA ALA 58 HA ALA 58 -5.570 -2.093 0.677 458 HB1 ALA 58 1HB ALA 58 -4.819 -1.167 -1.437 459 HB2 ALA 58 2HB ALA 58 -4.726 -2.778 -2.159 460 HB3 ALA 58 3HB ALA 58 -3.626 -2.329 -0.855 461 H THR 59 H THR 59 -7.057 -4.586 -1.252 462 HA THR 59 HA THR 59 -8.911 -3.165 -2.790 463 HB THR 59 HB THR 59 -10.265 -5.318 -2.767 464 HG1 THR 59 HG1 THR 59 -9.865 -6.180 -0.773 465 HG21 THR 59 1HG2 THR 59 -8.560 -6.692 -3.901 466 HG22 THR 59 2HG2 THR 59 -7.284 -5.651 -3.266 467 HG23 THR 59 3HG2 THR 59 -8.458 -5.008 -4.417 468 H GLU 60 H GLU 60 -9.055 -4.273 0.548 469 HA GLU 60 HA GLU 60 -11.599 -2.867 0.989 470 HB2 GLU 60 2HB GLU 60 -9.961 -4.426 3.049 471 HB3 GLU 60 1HB GLU 60 -11.655 -3.955 3.151 472 HG2 GLU 60 2HG GLU 60 -10.423 -6.101 1.405 473 HG3 GLU 60 1HG GLU 60 -11.587 -6.309 2.712 474 H ASN 61 H ASN 61 -8.284 -3.028 2.301 475 HA ASN 61 HA ASN 61 -8.504 -1.135 4.298 476 HB2 ASN 61 2HB ASN 61 -6.716 -2.798 4.252 477 HB3 ASN 61 1HB ASN 61 -6.009 -2.059 2.823 478 HD21 ASN 61 1HD2 ASN 61 -4.684 -0.245 3.083 479 HD22 ASN 61 2HD2 ASN 61 -4.222 0.363 4.628 480 H PHE 62 H PHE 62 -6.897 -0.567 1.126 481 HA PHE 62 HA PHE 62 -5.802 1.924 1.629 482 HB2 PHE 62 2HB PHE 62 -5.167 0.582 -0.307 483 HB3 PHE 62 1HB PHE 62 -6.771 0.738 -1.004 484 HD1 PHE 62 HD1 PHE 62 -6.889 2.183 -2.863 485 HD2 PHE 62 HD2 PHE 62 -4.043 3.042 0.209 486 HE1 PHE 62 HE1 PHE 62 -6.085 4.133 -4.140 487 HE2 PHE 62 HE2 PHE 62 -3.250 4.989 -1.072 488 HZ PHE 62 HZ PHE 62 -4.268 5.536 -3.244 489 H GLU 63 H GLU 63 -9.103 1.186 0.722 490 HA GLU 63 HA GLU 63 -9.748 4.051 0.340 491 HB2 GLU 63 2HB GLU 63 -10.177 2.428 -1.543 492 HB3 GLU 63 1HB GLU 63 -11.391 1.645 -0.534 493 HG2 GLU 63 2HG GLU 63 -12.690 3.728 -0.463 494 HG3 GLU 63 1HG GLU 63 -11.450 4.549 -1.415 495 H ASP 64 H ASP 64 -10.424 1.236 2.320 496 HA ASP 64 HA ASP 64 -12.832 2.102 3.589 497 HB2 ASP 64 2HB ASP 64 -12.117 -0.256 3.700 498 HB3 ASP 64 1HB ASP 64 -10.658 0.191 4.576 499 H VAL 65 H VAL 65 -9.440 2.203 4.619 500 HA VAL 65 HA VAL 65 -9.809 3.927 6.870 501 HB VAL 65 HB VAL 65 -7.396 4.000 7.024 502 HG11 VAL 65 1HG1 VAL 65 -8.220 1.237 6.050 503 HG12 VAL 65 2HG1 VAL 65 -8.430 1.868 7.686 504 HG13 VAL 65 3HG1 VAL 65 -6.807 1.605 7.048 505 HG21 VAL 65 1HG2 VAL 65 -6.786 4.524 4.717 506 HG22 VAL 65 2HG2 VAL 65 -7.278 2.921 4.178 507 HG23 VAL 65 3HG2 VAL 65 -5.885 3.102 5.242 508 H GLY 66 H GLY 66 -9.458 4.398 3.478 509 HA2 GLY 66 2HA GLY 66 -8.262 7.004 3.502 510 HA3 GLY 66 1HA GLY 66 -8.871 6.124 2.119 511 H PHE 67 H PHE 67 -9.192 8.917 2.596 512 HA PHE 67 HA PHE 67 -11.775 9.635 3.478 513 HB2 PHE 67 2HB PHE 67 -10.110 10.959 1.305 514 HB3 PHE 67 1HB PHE 67 -11.465 11.692 2.138 515 HD1 PHE 67 HD1 PHE 67 -11.169 11.765 4.825 516 HD2 PHE 67 HD2 PHE 67 -7.965 11.584 1.997 517 HE1 PHE 67 HE1 PHE 67 -9.660 12.810 6.460 518 HE2 PHE 67 HE2 PHE 67 -6.463 12.623 3.645 519 HZ PHE 67 HZ PHE 67 -7.307 13.240 5.874 520 H SER 68 H SER 68 -13.561 10.418 2.045 521 HA SER 68 HA SER 68 -14.684 8.307 0.617 522 HB2 SER 68 2HB SER 68 -15.495 11.242 0.449 523 HB3 SER 68 1HB SER 68 -16.532 9.840 0.150 524 HG SER 68 HG SER 68 -16.190 9.261 2.365 525 H THR 69 H THR 69 -13.613 11.444 -0.733 526 HA THR 69 HA THR 69 -13.695 10.410 -3.472 527 HB THR 69 HB THR 69 -13.223 12.845 -4.064 528 HG1 THR 69 HG1 THR 69 -12.551 14.058 -2.476 529 HG21 THR 69 1HG2 THR 69 -15.652 12.359 -2.303 530 HG22 THR 69 2HG2 THR 69 -15.542 11.998 -4.027 531 HG23 THR 69 3HG2 THR 69 -15.474 13.674 -3.470 532 H ASP 70 H ASP 70 -11.366 11.523 -1.045 533 HA ASP 70 HA ASP 70 -9.207 12.019 -2.817 534 HB2 ASP 70 2HB ASP 70 -9.126 11.473 0.178 535 HB3 ASP 70 1HB ASP 70 -7.753 12.036 -0.772 536 H ALA 71 H ALA 71 -9.869 9.179 -0.697 537 HA ALA 71 HA ALA 71 -7.551 7.713 -1.144 538 HB1 ALA 71 1HB ALA 71 -9.257 7.112 0.541 539 HB2 ALA 71 2HB ALA 71 -8.799 5.724 -0.448 540 HB3 ALA 71 3HB ALA 71 -10.330 6.557 -0.742 541 H ARG 72 H ARG 72 -10.377 8.012 -3.153 542 HA ARG 72 HA ARG 72 -9.817 5.862 -4.943 543 HB2 ARG 72 2HB ARG 72 -11.633 8.279 -5.328 544 HB3 ARG 72 1HB ARG 72 -11.665 6.789 -6.272 545 HG2 ARG 72 2HG ARG 72 -12.204 5.560 -4.103 546 HG3 ARG 72 1HG ARG 72 -12.424 7.145 -3.353 547 HD2 ARG 72 2HD ARG 72 -14.573 6.187 -4.066 548 HD3 ARG 72 1HD ARG 72 -14.205 7.664 -4.964 549 HE ARG 72 HE ARG 72 -13.583 5.019 -6.126 550 HH11 ARG 72 1HH1 ARG 72 -15.423 8.022 -6.328 551 HH12 ARG 72 2HH1 ARG 72 -15.964 7.710 -7.946 552 HH21 ARG 72 1HH2 ARG 72 -14.249 4.657 -8.258 553 HH22 ARG 72 2HH2 ARG 72 -15.295 5.797 -9.044 554 H GLU 73 H GLU 73 -9.560 9.444 -5.298 555 HA GLU 73 HA GLU 73 -8.385 9.137 -7.937 556 HB2 GLU 73 2HB GLU 73 -8.798 11.439 -8.249 557 HB3 GLU 73 1HB GLU 73 -10.162 10.850 -7.323 558 HG2 GLU 73 2HG GLU 73 -9.829 12.710 -6.066 559 HG3 GLU 73 1HG GLU 73 -8.564 11.762 -5.293 560 H LEU 74 H LEU 74 -7.140 9.347 -4.803 561 HA LEU 74 HA LEU 74 -4.618 10.633 -5.364 562 HB2 LEU 74 2HB LEU 74 -5.879 9.311 -2.999 563 HB3 LEU 74 1HB LEU 74 -4.139 9.168 -3.058 564 HG LEU 74 HG LEU 74 -3.849 11.586 -2.955 565 HD11 LEU 74 1HD1 LEU 74 -5.741 12.347 -4.289 566 HD12 LEU 74 2HD1 LEU 74 -5.699 13.170 -2.732 567 HD13 LEU 74 3HD1 LEU 74 -6.859 11.869 -3.010 568 HD21 LEU 74 1HD2 LEU 74 -4.739 12.032 -0.714 569 HD22 LEU 74 2HD2 LEU 74 -4.129 10.382 -0.825 570 HD23 LEU 74 3HD2 LEU 74 -5.869 10.683 -0.875 571 H SER 75 H SER 75 -5.855 7.597 -6.181 572 HA SER 75 HA SER 75 -3.717 5.816 -6.005 573 HB2 SER 75 2HB SER 75 -4.833 4.648 -7.941 574 HB3 SER 75 1HB SER 75 -5.964 5.092 -6.662 575 HG SER 75 HG SER 75 -7.018 6.008 -8.236 576 H LYS 76 H LYS 76 -4.499 8.151 -8.590 577 HA LYS 76 HA LYS 76 -2.310 7.550 -10.299 578 HB2 LYS 76 2HB LYS 76 -2.935 9.632 -11.502 579 HB3 LYS 76 1HB LYS 76 -4.327 8.622 -11.149 580 HG2 LYS 76 2HG LYS 76 -5.224 10.645 -10.552 581 HG3 LYS 76 1HG LYS 76 -4.513 10.190 -9.008 582 HD2 LYS 76 2HD LYS 76 -2.408 11.528 -9.942 583 HD3 LYS 76 1HD LYS 76 -3.612 12.282 -10.987 584 HE2 LYS 76 2HE LYS 76 -3.502 12.306 -7.958 585 HE3 LYS 76 1HE LYS 76 -3.317 13.677 -9.048 586 HZ1 LYS 76 1HZ LYS 76 -5.631 13.448 -9.668 587 HZ2 LYS 76 2HZ LYS 76 -5.483 13.622 -7.994 588 HZ3 LYS 76 3HZ LYS 76 -5.802 12.106 -8.657 589 H LYS 77 H LYS 77 -2.441 9.379 -7.388 590 HA LYS 77 HA LYS 77 -0.008 10.907 -7.887 591 HB2 LYS 77 2HB LYS 77 -1.895 11.850 -6.547 592 HB3 LYS 77 1HB LYS 77 -1.681 10.566 -5.354 593 HG2 LYS 77 2HG LYS 77 0.661 11.418 -4.975 594 HG3 LYS 77 1HG LYS 77 0.277 12.774 -6.042 595 HD2 LYS 77 2HD LYS 77 -1.483 13.520 -4.509 596 HD3 LYS 77 1HD LYS 77 -1.213 12.106 -3.479 597 HE2 LYS 77 2HE LYS 77 -0.141 14.102 -2.525 598 HE3 LYS 77 1HE LYS 77 1.071 12.906 -2.985 599 HZ1 LYS 77 1HZ LYS 77 1.738 15.121 -3.647 600 HZ2 LYS 77 2HZ LYS 77 0.327 15.319 -4.552 601 HZ3 LYS 77 3HZ LYS 77 1.472 14.172 -5.018 602 H TYR 78 H TYR 78 -1.048 7.955 -6.281 603 HA TYR 78 HA TYR 78 1.625 7.567 -5.071 604 HB2 TYR 78 2HB TYR 78 -1.049 6.251 -4.408 605 HB3 TYR 78 1HB TYR 78 0.487 5.863 -3.628 606 HD1 TYR 78 HD1 TYR 78 -2.408 7.607 -3.017 607 HD2 TYR 78 HD2 TYR 78 1.819 8.238 -2.959 608 HE1 TYR 78 HE1 TYR 78 -2.696 9.484 -1.454 609 HE2 TYR 78 HE2 TYR 78 1.508 10.104 -1.422 610 HH TYR 78 HH TYR 78 -1.281 10.664 0.285 611 H ILE 79 H ILE 79 0.451 6.894 -7.947 612 HA ILE 79 HA ILE 79 1.069 4.103 -8.182 613 HB ILE 79 HB ILE 79 -0.372 5.063 -9.867 614 HG12 ILE 79 2HG1 ILE 79 0.683 4.215 -11.937 615 HG13 ILE 79 1HG1 ILE 79 2.277 4.315 -11.195 616 HG21 ILE 79 1HG2 ILE 79 1.898 6.870 -10.743 617 HG22 ILE 79 2HG2 ILE 79 0.436 7.374 -9.894 618 HG23 ILE 79 3HG2 ILE 79 0.322 6.726 -11.531 619 HD11 ILE 79 1HD1 ILE 79 1.662 2.569 -9.604 620 HD12 ILE 79 2HD1 ILE 79 1.431 2.027 -11.269 621 HD13 ILE 79 3HD1 ILE 79 0.038 2.502 -10.298 622 H ILE 80 H ILE 80 2.932 3.861 -7.090 623 HA ILE 80 HA ILE 80 5.404 5.220 -7.890 624 HB ILE 80 HB ILE 80 4.759 5.057 -5.485 625 HG12 ILE 80 2HG1 ILE 80 7.338 3.537 -6.084 626 HG13 ILE 80 1HG1 ILE 80 7.161 5.287 -6.179 627 HG21 ILE 80 1HG2 ILE 80 5.194 2.062 -5.764 628 HG22 ILE 80 2HG2 ILE 80 3.647 2.865 -5.484 629 HG23 ILE 80 3HG2 ILE 80 4.906 2.928 -4.251 630 HD11 ILE 80 1HD1 ILE 80 8.217 4.670 -4.120 631 HD12 ILE 80 2HD1 ILE 80 6.883 3.595 -3.705 632 HD13 ILE 80 3HD1 ILE 80 6.621 5.341 -3.783 633 H GLY 81 H GLY 81 3.713 2.325 -8.439 634 HA2 GLY 81 2HA GLY 81 5.088 1.391 -10.565 635 HA3 GLY 81 1HA GLY 81 5.975 0.686 -9.212 636 H GLU 82 H GLU 82 5.383 -1.384 -9.641 637 HA GLU 82 HA GLU 82 2.605 -2.113 -8.965 638 HB2 GLU 82 2HB GLU 82 2.799 -4.041 -10.531 639 HB3 GLU 82 1HB GLU 82 2.847 -2.482 -11.348 640 HG2 GLU 82 2HG GLU 82 5.265 -2.647 -11.625 641 HG3 GLU 82 1HG GLU 82 5.293 -4.158 -10.707 642 H LEU 83 H LEU 83 2.389 -4.041 -7.797 643 HA LEU 83 HA LEU 83 4.557 -4.950 -6.179 644 HB2 LEU 83 2HB LEU 83 2.080 -4.930 -5.563 645 HB3 LEU 83 1HB LEU 83 1.839 -6.272 -6.658 646 HG LEU 83 HG LEU 83 1.965 -6.798 -4.147 647 HD11 LEU 83 1HD1 LEU 83 3.899 -8.339 -5.879 648 HD12 LEU 83 2HD1 LEU 83 2.155 -8.583 -5.793 649 HD13 LEU 83 3HD1 LEU 83 3.152 -8.892 -4.375 650 HD21 LEU 83 1HD2 LEU 83 4.929 -6.372 -4.535 651 HD22 LEU 83 2HD2 LEU 83 4.119 -6.953 -3.085 652 HD23 LEU 83 3HD2 LEU 83 3.854 -5.305 -3.634 653 H HIS 84 H HIS 84 5.646 -6.922 -6.352 654 HA HIS 84 HA HIS 84 6.397 -7.659 -8.997 655 HB2 HIS 84 2HB HIS 84 7.934 -7.570 -6.969 656 HB3 HIS 84 1HB HIS 84 7.141 -9.022 -6.366 657 HD1 HIS 84 HD1 HIS 84 8.672 -10.941 -6.725 658 HD2 HIS 84 HD2 HIS 84 8.823 -8.220 -9.857 659 HE1 HIS 84 HE1 HIS 84 10.311 -11.907 -8.370 660 HE2 HIS 84 HE2 HIS 84 10.515 -10.141 -10.163 661 HA PRO 85 HA PRO 85 2.788 -10.337 -9.634 662 HB2 PRO 85 2HB PRO 85 4.170 -11.936 -11.633 663 HB3 PRO 85 1HB PRO 85 3.009 -10.626 -11.887 664 HG2 PRO 85 2HG PRO 85 5.960 -10.552 -11.994 665 HG3 PRO 85 1HG PRO 85 4.775 -9.494 -12.782 666 HD2 PRO 85 2HD PRO 85 6.273 -8.649 -10.698 667 HD3 PRO 85 1HD PRO 85 4.614 -8.075 -10.946 668 H ASP 86 H ASP 86 5.960 -11.787 -9.066 669 HA ASP 86 HA ASP 86 5.157 -14.417 -8.355 670 HB2 ASP 86 2HB ASP 86 7.440 -13.944 -9.020 671 HB3 ASP 86 1HB ASP 86 7.635 -12.753 -7.743 672 H ASP 87 H ASP 87 5.742 -11.489 -6.416 673 HA ASP 87 HA ASP 87 5.773 -12.740 -3.858 674 HB2 ASP 87 2HB ASP 87 5.618 -9.879 -4.807 675 HB3 ASP 87 1HB ASP 87 5.315 -10.221 -3.110 676 H ARG 88 H ARG 88 3.112 -11.216 -5.673 677 HA ARG 88 HA ARG 88 1.276 -11.185 -3.509 678 HB2 ARG 88 2HB ARG 88 -0.499 -10.947 -5.269 679 HB3 ARG 88 1HB ARG 88 0.816 -9.798 -5.403 680 HG2 ARG 88 2HG ARG 88 0.632 -10.322 -7.614 681 HG3 ARG 88 1HG ARG 88 1.751 -11.593 -7.151 682 HD2 ARG 88 2HD ARG 88 -0.186 -13.169 -6.936 683 HD3 ARG 88 1HD ARG 88 -1.261 -11.882 -7.497 684 HE ARG 88 HE ARG 88 0.936 -12.451 -9.295 685 HH11 ARG 88 1HH1 ARG 88 -2.372 -13.396 -8.465 686 HH12 ARG 88 2HH1 ARG 88 -2.681 -14.066 -10.028 687 HH21 ARG 88 1HH2 ARG 88 0.489 -13.385 -11.309 688 HH22 ARG 88 2HH2 ARG 88 -1.068 -14.058 -11.624 689 H SER 89 H SER 89 2.185 -13.610 -5.850 690 HA SER 89 HA SER 89 0.195 -15.558 -5.346 691 HB2 SER 89 2HB SER 89 1.554 -15.624 -7.367 692 HB3 SER 89 1HB SER 89 3.037 -15.771 -6.430 693 HG SER 89 HG SER 89 2.648 -17.833 -6.101 694 H LYS 90 H LYS 90 3.134 -14.668 -3.679 695 HA LYS 90 HA LYS 90 3.320 -17.111 -2.093 696 HB2 LYS 90 2HB LYS 90 4.978 -14.542 -2.107 697 HB3 LYS 90 1HB LYS 90 5.356 -15.970 -1.142 698 HG2 LYS 90 2HG LYS 90 5.761 -17.288 -3.139 699 HG3 LYS 90 1HG LYS 90 5.179 -15.982 -4.169 700 HD2 LYS 90 2HD LYS 90 7.604 -16.086 -4.272 701 HD3 LYS 90 1HD LYS 90 7.111 -14.583 -3.498 702 HE2 LYS 90 2HE LYS 90 7.870 -16.983 -1.823 703 HE3 LYS 90 1HE LYS 90 9.114 -15.950 -2.519 704 HZ1 LYS 90 1HZ LYS 90 6.968 -15.077 -0.661 705 HZ2 LYS 90 2HZ LYS 90 8.108 -14.060 -1.374 706 HZ3 LYS 90 3HZ LYS 90 8.607 -15.254 -0.294 707 H ILE 91 H ILE 91 2.574 -13.661 -1.572 708 HA ILE 91 HA ILE 91 2.007 -14.150 1.316 709 HB ILE 91 HB ILE 91 3.235 -11.576 0.196 710 HG12 ILE 91 2HG1 ILE 91 4.775 -13.916 1.412 711 HG13 ILE 91 1HG1 ILE 91 4.711 -13.545 -0.303 712 HG21 ILE 91 1HG2 ILE 91 2.215 -11.358 2.445 713 HG22 ILE 91 2HG2 ILE 91 3.966 -11.172 2.525 714 HG23 ILE 91 3HG2 ILE 91 3.218 -12.685 3.041 715 HD11 ILE 91 1HD1 ILE 91 6.768 -12.785 0.655 716 HD12 ILE 91 2HD1 ILE 91 5.902 -11.814 1.844 717 HD13 ILE 91 3HD1 ILE 91 5.806 -11.405 0.127 718 H ALA 92 H ALA 92 0.035 -14.194 -0.807 719 HA ALA 92 HA ALA 92 -1.504 -11.901 -1.178 720 HB1 ALA 92 1HB ALA 92 -3.439 -13.419 -1.461 721 HB2 ALA 92 2HB ALA 92 -2.517 -14.736 -0.728 722 HB3 ALA 92 3HB ALA 92 -2.006 -14.054 -2.274 723 H LYS 93 H LYS 93 -1.713 -14.281 1.411 724 HA LYS 93 HA LYS 93 -1.893 -12.457 3.527 725 HB2 LYS 93 2HB LYS 93 -4.204 -13.089 4.395 726 HB3 LYS 93 1HB LYS 93 -4.207 -12.033 2.988 727 HG2 LYS 93 2HG LYS 93 -4.695 -14.011 1.542 728 HG3 LYS 93 1HG LYS 93 -4.776 -15.017 2.991 729 HD2 LYS 93 2HD LYS 93 -6.697 -13.685 3.816 730 HD3 LYS 93 1HD LYS 93 -6.594 -12.646 2.391 731 HE2 LYS 93 2HE LYS 93 -7.101 -14.591 0.943 732 HE3 LYS 93 1HE LYS 93 -7.219 -15.620 2.373 733 HZ1 LYS 93 1HZ LYS 93 -8.962 -13.302 1.740 734 HZ2 LYS 93 2HZ LYS 93 -9.068 -14.239 3.141 735 HZ3 LYS 93 3HZ LYS 93 -9.393 -14.930 1.636 736 HA PRO 94 HA PRO 94 -0.424 -16.685 4.608 737 HB2 PRO 94 2HB PRO 94 1.862 -16.014 5.870 738 HB3 PRO 94 1HB PRO 94 1.727 -15.899 4.102 739 HG2 PRO 94 2HG PRO 94 1.547 -13.708 6.147 740 HG3 PRO 94 1HG PRO 94 2.401 -13.724 4.585 741 HD2 PRO 94 2HD PRO 94 -0.119 -12.608 4.974 742 HD3 PRO 94 1HD PRO 94 0.503 -13.155 3.402 743 H SER 95 H SER 95 0.011 -17.748 6.712 744 HA SER 95 HA SER 95 -0.625 -16.510 9.230 745 HB2 SER 95 2HB SER 95 -2.933 -16.660 8.308 746 HB3 SER 95 1HB SER 95 -2.718 -18.381 7.987 747 HG SER 95 HG SER 95 -2.689 -18.775 10.169 748 H GLU 96 H GLU 96 -0.285 -19.410 7.272 749 HA GLU 96 HA GLU 96 0.624 -21.041 9.556 750 HB2 GLU 96 2HB GLU 96 -0.043 -21.916 6.707 751 HB3 GLU 96 1HB GLU 96 0.249 -22.964 8.091 752 HG2 GLU 96 2HG GLU 96 -2.130 -21.141 7.638 753 HG3 GLU 96 1HG GLU 96 -2.119 -22.903 7.639 754 H THR 97 H THR 97 2.255 -18.906 8.083 755 HA THR 97 HA THR 97 4.717 -20.324 7.749 756 HB THR 97 HB THR 97 3.751 -20.901 5.561 757 HG1 THR 97 HG1 THR 97 5.726 -18.884 5.154 758 HG21 THR 97 1HG2 THR 97 3.534 -17.913 5.027 759 HG22 THR 97 2HG2 THR 97 2.173 -19.015 5.264 760 HG23 THR 97 3HG2 THR 97 3.228 -19.203 3.862 761 H LEU 98 H LEU 98 2.864 -17.352 7.507 762 HA LEU 98 HA LEU 98 3.259 -15.161 7.454 763 HB2 LEU 98 2HB LEU 98 4.078 -15.689 9.771 764 HB3 LEU 98 1HB LEU 98 5.715 -15.805 9.141 765 HG LEU 98 HG LEU 98 5.594 -13.381 8.473 766 HD11 LEU 98 1HD1 LEU 98 2.924 -13.365 9.922 767 HD12 LEU 98 2HD1 LEU 98 3.178 -13.138 8.188 768 HD13 LEU 98 3HD1 LEU 98 3.796 -11.948 9.327 769 HD21 LEU 98 1HD2 LEU 98 5.831 -12.450 10.723 770 HD22 LEU 98 2HD2 LEU 98 6.639 -14.011 10.595 771 HD23 LEU 98 3HD2 LEU 98 5.079 -13.890 11.415 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 20.544 -1.382 -7.508 2 H2 ALA 1 2H ALA 1 22.051 -1.569 -8.241 3 H3 ALA 1 3H ALA 1 21.476 -2.747 -7.171 4 HA ALA 1 HA ALA 1 21.282 -3.470 -9.459 5 HB1 ALA 1 1HB ALA 1 18.897 -4.109 -9.417 6 HB2 ALA 1 2HB ALA 1 18.610 -2.923 -8.139 7 HB3 ALA 1 3HB ALA 1 19.649 -4.313 -7.831 8 H GLU 2 H GLU 2 18.831 -0.915 -8.869 9 HA GLU 2 HA GLU 2 17.756 0.592 -10.146 10 HB2 GLU 2 2HB GLU 2 20.258 0.541 -11.894 11 HB3 GLU 2 1HB GLU 2 18.964 1.727 -12.027 12 HG2 GLU 2 2HG GLU 2 19.468 2.561 -9.778 13 HG3 GLU 2 1HG GLU 2 20.739 1.353 -9.596 14 H GLN 3 H GLN 3 15.970 -0.367 -11.048 15 HA GLN 3 HA GLN 3 15.934 -2.327 -13.058 16 HB2 GLN 3 2HB GLN 3 13.559 -1.755 -13.442 17 HB3 GLN 3 1HB GLN 3 13.917 -1.881 -11.737 18 HG2 GLN 3 2HG GLN 3 13.661 0.744 -13.222 19 HG3 GLN 3 1HG GLN 3 12.345 -0.028 -12.349 20 HE21 GLN 3 1HE2 GLN 3 13.599 2.603 -11.956 21 HE22 GLN 3 2HE2 GLN 3 14.108 2.637 -10.305 22 H SER 4 H SER 4 16.175 -2.265 -15.217 23 HA SER 4 HA SER 4 17.351 -0.034 -16.495 24 HB2 SER 4 2HB SER 4 17.083 -1.467 -18.593 25 HB3 SER 4 1HB SER 4 17.934 -2.247 -17.258 26 HG SER 4 HG SER 4 15.298 -2.660 -18.155 27 H ASP 5 H ASP 5 14.044 -1.169 -16.224 28 HA ASP 5 HA ASP 5 13.062 1.026 -17.939 29 HB2 ASP 5 2HB ASP 5 11.985 -1.144 -18.361 30 HB3 ASP 5 1HB ASP 5 11.578 -1.308 -16.656 31 H LYS 6 H LYS 6 13.867 2.581 -16.459 32 HA LYS 6 HA LYS 6 12.711 2.876 -13.838 33 HB2 LYS 6 2HB LYS 6 14.305 4.803 -15.578 34 HB3 LYS 6 1HB LYS 6 13.736 5.196 -13.957 35 HG2 LYS 6 2HG LYS 6 15.058 3.338 -13.031 36 HG3 LYS 6 1HG LYS 6 15.630 2.931 -14.652 37 HD2 LYS 6 2HD LYS 6 16.742 5.139 -14.812 38 HD3 LYS 6 1HD LYS 6 16.152 5.554 -13.199 39 HE2 LYS 6 2HE LYS 6 17.476 3.751 -12.215 40 HE3 LYS 6 1HE LYS 6 18.003 3.227 -13.816 41 HZ1 LYS 6 1HZ LYS 6 19.708 4.527 -12.748 42 HZ2 LYS 6 2HZ LYS 6 18.652 5.822 -12.522 43 HZ3 LYS 6 3HZ LYS 6 19.118 5.381 -14.084 44 H ASP 7 H ASP 7 10.561 2.634 -14.269 45 HA ASP 7 HA ASP 7 9.108 5.081 -14.758 46 HB2 ASP 7 2HB ASP 7 9.260 4.100 -17.079 47 HB3 ASP 7 1HB ASP 7 8.491 2.632 -16.495 48 H VAL 8 H VAL 8 8.634 1.540 -14.623 49 HA VAL 8 HA VAL 8 7.078 1.851 -12.121 50 HB VAL 8 HB VAL 8 6.206 -0.445 -12.517 51 HG11 VAL 8 1HG1 VAL 8 5.657 1.457 -14.821 52 HG12 VAL 8 2HG1 VAL 8 4.854 1.453 -13.249 53 HG13 VAL 8 3HG1 VAL 8 4.641 0.090 -14.349 54 HG21 VAL 8 1HG2 VAL 8 8.029 -1.387 -13.871 55 HG22 VAL 8 2HG2 VAL 8 7.623 -0.314 -15.210 56 HG23 VAL 8 3HG2 VAL 8 6.486 -1.571 -14.709 57 H LYS 9 H LYS 9 7.771 0.801 -10.305 58 HA LYS 9 HA LYS 9 10.378 -0.584 -10.368 59 HB2 LYS 9 2HB LYS 9 8.985 0.797 -8.032 60 HB3 LYS 9 1HB LYS 9 10.573 0.035 -7.980 61 HG2 LYS 9 2HG LYS 9 11.493 1.718 -9.471 62 HG3 LYS 9 1HG LYS 9 9.893 2.426 -9.724 63 HD2 LYS 9 2HD LYS 9 9.816 2.988 -7.269 64 HD3 LYS 9 1HD LYS 9 11.472 2.393 -7.119 65 HE2 LYS 9 2HE LYS 9 12.211 4.110 -8.759 66 HE3 LYS 9 1HE LYS 9 10.552 4.708 -8.843 67 HZ1 LYS 9 1HZ LYS 9 11.899 6.043 -7.348 68 HZ2 LYS 9 2HZ LYS 9 12.262 4.684 -6.414 69 HZ3 LYS 9 3HZ LYS 9 10.675 5.254 -6.486 70 H TYR 10 H TYR 10 10.292 -2.718 -10.047 71 HA TYR 10 HA TYR 10 7.918 -4.065 -9.124 72 HB2 TYR 10 2HB TYR 10 10.664 -5.030 -10.007 73 HB3 TYR 10 1HB TYR 10 9.504 -6.133 -9.278 74 HD1 TYR 10 HD1 TYR 10 7.847 -7.159 -10.609 75 HD2 TYR 10 HD2 TYR 10 9.881 -3.724 -12.133 76 HE1 TYR 10 HE1 TYR 10 6.750 -7.471 -12.784 77 HE2 TYR 10 HE2 TYR 10 8.790 -4.045 -14.311 78 HH TYR 10 HH TYR 10 6.140 -5.946 -14.766 79 H TYR 11 H TYR 11 7.572 -3.343 -7.040 80 HA TYR 11 HA TYR 11 9.494 -3.809 -4.904 81 HB2 TYR 11 2HB TYR 11 6.611 -2.881 -5.037 82 HB3 TYR 11 1HB TYR 11 7.235 -3.469 -3.503 83 HD1 TYR 11 HD1 TYR 11 8.353 -1.999 -2.074 84 HD2 TYR 11 HD2 TYR 11 8.005 -0.935 -6.205 85 HE1 TYR 11 HE1 TYR 11 9.363 0.183 -1.597 86 HE2 TYR 11 HE2 TYR 11 9.008 1.252 -5.725 87 HH TYR 11 HH TYR 11 10.563 1.945 -2.747 88 H THR 12 H THR 12 9.369 -5.488 -3.382 89 HA THR 12 HA THR 12 7.689 -7.819 -4.089 90 HB THR 12 HB THR 12 9.236 -9.113 -2.553 91 HG1 THR 12 HG1 THR 12 10.524 -7.968 -1.362 92 HG21 THR 12 1HG2 THR 12 10.598 -7.765 -4.903 93 HG22 THR 12 2HG2 THR 12 9.600 -9.220 -4.977 94 HG23 THR 12 3HG2 THR 12 11.143 -9.249 -4.118 95 H LEU 13 H LEU 13 6.292 -8.639 -2.557 96 HA LEU 13 HA LEU 13 5.281 -6.882 -0.546 97 HB2 LEU 13 2HB LEU 13 4.047 -8.689 -2.016 98 HB3 LEU 13 1HB LEU 13 4.525 -9.815 -0.761 99 HG LEU 13 HG LEU 13 3.232 -8.475 0.912 100 HD11 LEU 13 1HD1 LEU 13 1.697 -6.696 0.167 101 HD12 LEU 13 2HD1 LEU 13 2.353 -6.794 -1.470 102 HD13 LEU 13 3HD1 LEU 13 3.377 -6.251 -0.134 103 HD21 LEU 13 1HD2 LEU 13 1.610 -9.315 -1.513 104 HD22 LEU 13 2HD2 LEU 13 0.990 -9.114 0.131 105 HD23 LEU 13 3HD2 LEU 13 2.166 -10.381 -0.220 106 H GLU 14 H GLU 14 7.503 -9.503 -0.646 107 HA GLU 14 HA GLU 14 7.943 -10.109 2.056 108 HB2 GLU 14 2HB GLU 14 8.856 -11.313 0.020 109 HB3 GLU 14 1HB GLU 14 9.965 -9.976 -0.228 110 HG2 GLU 14 2HG GLU 14 11.221 -11.699 0.795 111 HG3 GLU 14 1HG GLU 14 10.940 -10.501 2.056 112 H GLU 15 H GLU 15 9.091 -7.436 0.008 113 HA GLU 15 HA GLU 15 10.963 -6.354 1.892 114 HB2 GLU 15 2HB GLU 15 10.705 -6.046 -0.740 115 HB3 GLU 15 1HB GLU 15 9.695 -4.684 -0.305 116 HG2 GLU 15 2HG GLU 15 12.528 -5.019 0.696 117 HG3 GLU 15 1HG GLU 15 12.157 -4.235 -0.835 118 H ILE 16 H ILE 16 7.564 -5.854 1.142 119 HA ILE 16 HA ILE 16 7.230 -3.559 2.875 120 HB ILE 16 HB ILE 16 4.946 -5.131 1.612 121 HG12 ILE 16 2HG1 ILE 16 6.572 -2.952 0.207 122 HG13 ILE 16 1HG1 ILE 16 6.646 -4.666 -0.184 123 HG21 ILE 16 1HG2 ILE 16 5.276 -2.182 2.297 124 HG22 ILE 16 2HG2 ILE 16 4.355 -3.363 3.230 125 HG23 ILE 16 3HG2 ILE 16 3.828 -2.921 1.606 126 HD11 ILE 16 1HD1 ILE 16 4.228 -2.891 -0.466 127 HD12 ILE 16 2HD1 ILE 16 4.295 -4.614 -0.846 128 HD13 ILE 16 3HD1 ILE 16 5.272 -3.470 -1.764 129 H GLN 17 H GLN 17 7.379 -6.905 3.401 130 HA GLN 17 HA GLN 17 5.430 -7.471 5.325 131 HB2 GLN 17 2HB GLN 17 6.962 -9.107 4.210 132 HB3 GLN 17 1HB GLN 17 8.290 -8.533 5.202 133 HG2 GLN 17 2HG GLN 17 5.799 -9.734 6.432 134 HG3 GLN 17 1HG GLN 17 7.114 -10.745 5.848 135 HE21 GLN 17 1HE2 GLN 17 6.055 -10.403 8.568 136 HE22 GLN 17 2HE2 GLN 17 7.406 -9.930 9.539 137 H LYS 18 H LYS 18 8.386 -5.650 5.608 138 HA LYS 18 HA LYS 18 8.245 -5.313 8.500 139 HB2 LYS 18 2HB LYS 18 10.065 -4.116 6.375 140 HB3 LYS 18 1HB LYS 18 10.254 -3.844 8.105 141 HG2 LYS 18 2HG LYS 18 10.422 -6.548 6.740 142 HG3 LYS 18 1HG LYS 18 11.810 -5.572 7.233 143 HD2 LYS 18 2HD LYS 18 11.093 -5.739 9.598 144 HD3 LYS 18 1HD LYS 18 9.683 -6.687 9.112 145 HE2 LYS 18 2HE LYS 18 11.437 -8.134 10.008 146 HE3 LYS 18 1HE LYS 18 11.176 -8.481 8.299 147 HZ1 LYS 18 1HZ LYS 18 13.519 -8.422 8.850 148 HZ2 LYS 18 2HZ LYS 18 13.383 -6.838 9.426 149 HZ3 LYS 18 3HZ LYS 18 13.143 -7.163 7.785 150 H HIS 19 H HIS 19 5.885 -4.480 7.266 151 HA HIS 19 HA HIS 19 5.745 -1.639 6.776 152 HB2 HIS 19 2HB HIS 19 3.243 -2.095 6.700 153 HB3 HIS 19 1HB HIS 19 4.202 -3.063 5.588 154 HD1 HIS 19 HD1 HIS 19 4.028 -5.569 5.774 155 HD2 HIS 19 HD2 HIS 19 2.296 -3.629 9.021 156 HE1 HIS 19 HE1 HIS 19 2.859 -7.362 7.098 157 HE2 HIS 19 HE2 HIS 19 1.817 -6.162 9.049 158 H LYS 20 H LYS 20 6.572 -2.726 9.521 159 HA LYS 20 HA LYS 20 4.568 -1.743 11.367 160 HB2 LYS 20 2HB LYS 20 7.405 -2.759 11.833 161 HB3 LYS 20 1HB LYS 20 6.298 -2.286 13.113 162 HG2 LYS 20 2HG LYS 20 6.285 -4.668 13.005 163 HG3 LYS 20 1HG LYS 20 4.739 -4.112 12.365 164 HD2 LYS 20 2HD LYS 20 5.510 -4.530 10.072 165 HD3 LYS 20 1HD LYS 20 7.114 -4.975 10.660 166 HE2 LYS 20 2HE LYS 20 4.543 -6.463 11.286 167 HE3 LYS 20 1HE LYS 20 5.736 -6.952 10.083 168 HZ1 LYS 20 1HZ LYS 20 6.303 -6.679 12.985 169 HZ2 LYS 20 2HZ LYS 20 7.341 -7.294 11.800 170 HZ3 LYS 20 3HZ LYS 20 5.942 -8.133 12.208 171 H ASP 21 H ASP 21 7.085 -0.427 9.520 172 HA ASP 21 HA ASP 21 7.166 2.068 11.099 173 HB2 ASP 21 2HB ASP 21 9.003 1.142 8.835 174 HB3 ASP 21 1HB ASP 21 9.140 2.667 9.705 175 H SER 22 H SER 22 6.524 3.952 10.105 176 HA SER 22 HA SER 22 4.476 3.870 8.158 177 HB2 SER 22 2HB SER 22 5.985 6.380 8.998 178 HB3 SER 22 1HB SER 22 4.301 6.238 8.506 179 HG SER 22 HG SER 22 4.449 4.677 10.541 180 H LYS 23 H LYS 23 7.903 4.327 7.956 181 HA LYS 23 HA LYS 23 7.950 5.456 5.295 182 HB2 LYS 23 2HB LYS 23 10.464 5.211 5.538 183 HB3 LYS 23 1HB LYS 23 9.668 6.214 6.740 184 HG2 LYS 23 2HG LYS 23 11.309 4.987 7.922 185 HG3 LYS 23 1HG LYS 23 9.772 4.234 8.330 186 HD2 LYS 23 2HD LYS 23 11.526 2.545 7.976 187 HD3 LYS 23 1HD LYS 23 10.249 2.386 6.771 188 HE2 LYS 23 2HE LYS 23 12.417 2.088 5.716 189 HE3 LYS 23 1HE LYS 23 11.698 3.586 5.131 190 HZ1 LYS 23 1HZ LYS 23 13.808 3.334 7.202 191 HZ2 LYS 23 2HZ LYS 23 13.102 4.787 6.711 192 HZ3 LYS 23 3HZ LYS 23 14.017 3.881 5.620 193 H SER 24 H SER 24 7.666 2.366 6.563 194 HA SER 24 HA SER 24 8.492 1.060 4.030 195 HB2 SER 24 2HB SER 24 9.782 0.361 6.044 196 HB3 SER 24 1HB SER 24 8.282 -0.123 6.840 197 HG SER 24 HG SER 24 7.997 -1.671 5.169 198 H THR 25 H THR 25 5.933 2.435 4.590 199 HA THR 25 HA THR 25 3.989 0.215 4.786 200 HB THR 25 HB THR 25 3.485 3.212 4.980 201 HG1 THR 25 HG1 THR 25 4.462 1.415 6.783 202 HG21 THR 25 1HG2 THR 25 1.301 2.564 5.918 203 HG22 THR 25 2HG2 THR 25 1.700 0.860 5.726 204 HG23 THR 25 3HG2 THR 25 1.485 1.877 4.303 205 H TRP 26 H TRP 26 3.668 -0.565 2.784 206 HA TRP 26 HA TRP 26 2.578 1.208 0.695 207 HB2 TRP 26 2HB TRP 26 4.546 -1.082 0.143 208 HB3 TRP 26 1HB TRP 26 3.809 -0.035 -1.068 209 HD1 TRP 26 HD TRP 26 4.555 2.700 -0.764 210 HE1 TRP 26 HE1 TRP 26 6.860 3.665 -0.212 211 HE3 TRP 26 HE3 TRP 26 6.712 -1.476 1.260 212 HZ2 TRP 26 HZ2 TRP 26 9.287 2.783 0.916 213 HZ3 TRP 26 HZ3 TRP 26 9.037 -1.330 2.057 214 HH2 TRP 26 HH TRP 26 10.297 0.759 1.889 215 H VAL 27 H VAL 27 0.962 0.098 -0.601 216 HA VAL 27 HA VAL 27 0.019 -2.507 0.466 217 HB VAL 27 HB VAL 27 -2.341 -1.689 0.315 218 HG11 VAL 27 1HG1 VAL 27 -2.372 -0.378 2.402 219 HG12 VAL 27 2HG1 VAL 27 -0.634 -0.095 2.261 220 HG13 VAL 27 3HG1 VAL 27 -1.245 -1.733 2.509 221 HG21 VAL 27 1HG2 VAL 27 -2.028 0.142 -1.286 222 HG22 VAL 27 2HG2 VAL 27 -1.091 1.053 -0.098 223 HG23 VAL 27 3HG2 VAL 27 -2.806 0.739 0.183 224 H ILE 28 H ILE 28 -1.447 -3.639 -0.989 225 HA ILE 28 HA ILE 28 -1.109 -2.929 -3.831 226 HB ILE 28 HB ILE 28 -0.679 -5.264 -4.433 227 HG12 ILE 28 2HG1 ILE 28 0.089 -6.812 -2.368 228 HG13 ILE 28 1HG1 ILE 28 -1.075 -5.844 -1.484 229 HG21 ILE 28 1HG2 ILE 28 1.192 -4.177 -2.304 230 HG22 ILE 28 2HG2 ILE 28 1.228 -3.837 -4.037 231 HG23 ILE 28 3HG2 ILE 28 1.602 -5.452 -3.448 232 HD11 ILE 28 1HD1 ILE 28 -2.850 -6.620 -2.979 233 HD12 ILE 28 2HD1 ILE 28 -1.996 -7.971 -2.233 234 HD13 ILE 28 3HD1 ILE 28 -1.662 -7.538 -3.908 235 H LEU 29 H LEU 29 -2.768 -3.275 -5.166 236 HA LEU 29 HA LEU 29 -5.420 -3.686 -4.096 237 HB2 LEU 29 2HB LEU 29 -4.342 -3.268 -6.904 238 HB3 LEU 29 1HB LEU 29 -6.032 -3.609 -6.616 239 HG LEU 29 HG LEU 29 -5.547 -1.192 -7.017 240 HD11 LEU 29 1HD1 LEU 29 -7.565 -1.834 -5.789 241 HD12 LEU 29 2HD1 LEU 29 -6.933 -0.284 -5.242 242 HD13 LEU 29 3HD1 LEU 29 -6.680 -1.729 -4.262 243 HD21 LEU 29 1HD2 LEU 29 -3.356 -1.017 -5.926 244 HD22 LEU 29 2HD2 LEU 29 -4.112 -1.238 -4.348 245 HD23 LEU 29 3HD2 LEU 29 -4.481 0.193 -5.312 246 H HIS 30 H HIS 30 -3.154 -5.428 -6.182 247 HA HIS 30 HA HIS 30 -3.892 -7.997 -5.301 248 HB2 HIS 30 2HB HIS 30 -5.900 -7.600 -6.770 249 HB3 HIS 30 1HB HIS 30 -4.828 -7.426 -8.154 250 HD1 HIS 30 HD1 HIS 30 -5.365 -9.474 -9.486 251 HD2 HIS 30 HD2 HIS 30 -4.739 -10.357 -5.473 252 HE1 HIS 30 HE1 HIS 30 -5.404 -11.976 -9.331 253 HE2 HIS 30 HE2 HIS 30 -4.952 -12.489 -6.911 254 H HIS 31 H HIS 31 -2.552 -6.188 -8.071 255 HA HIS 31 HA HIS 31 -0.180 -7.982 -8.094 256 HB2 HIS 31 2HB HIS 31 -1.424 -8.456 -10.114 257 HB3 HIS 31 1HB HIS 31 -1.663 -6.742 -10.449 258 HD1 HIS 31 HD1 HIS 31 0.981 -9.445 -10.608 259 HD2 HIS 31 HD2 HIS 31 0.454 -5.509 -11.848 260 HE1 HIS 31 HE1 HIS 31 2.950 -8.920 -12.075 261 HE2 HIS 31 HE2 HIS 31 2.638 -6.529 -12.770 262 H LYS 32 H LYS 32 -1.344 -4.677 -8.050 263 HA LYS 32 HA LYS 32 1.375 -3.661 -8.699 264 HB2 LYS 32 2HB LYS 32 -0.428 -3.073 -10.306 265 HB3 LYS 32 1HB LYS 32 -1.321 -2.279 -9.014 266 HG2 LYS 32 2HG LYS 32 0.304 -0.541 -8.831 267 HG3 LYS 32 1HG LYS 32 1.471 -1.418 -9.814 268 HD2 LYS 32 2HD LYS 32 -1.177 -0.328 -10.839 269 HD3 LYS 32 1HD LYS 32 0.381 0.473 -11.027 270 HE2 LYS 32 2HE LYS 32 1.212 -1.429 -12.342 271 HE3 LYS 32 1HE LYS 32 -0.337 -2.255 -12.148 272 HZ1 LYS 32 1HZ LYS 32 -0.183 -1.141 -14.288 273 HZ2 LYS 32 2HZ LYS 32 0.079 0.344 -13.532 274 HZ3 LYS 32 3HZ LYS 32 -1.404 -0.442 -13.355 275 H VAL 33 H VAL 33 2.241 -1.964 -7.452 276 HA VAL 33 HA VAL 33 1.229 -1.878 -4.678 277 HB VAL 33 HB VAL 33 3.476 -3.001 -4.981 278 HG11 VAL 33 1HG1 VAL 33 4.356 -1.691 -6.851 279 HG12 VAL 33 2HG1 VAL 33 5.474 -1.662 -5.488 280 HG13 VAL 33 3HG1 VAL 33 4.461 -0.260 -5.827 281 HG21 VAL 33 1HG2 VAL 33 2.879 -1.994 -2.831 282 HG22 VAL 33 2HG2 VAL 33 3.524 -0.437 -3.354 283 HG23 VAL 33 3HG2 VAL 33 4.610 -1.813 -3.137 284 H TYR 34 H TYR 34 1.001 0.067 -3.672 285 HA TYR 34 HA TYR 34 1.571 2.556 -5.150 286 HB2 TYR 34 2HB TYR 34 -1.037 1.757 -3.779 287 HB3 TYR 34 1HB TYR 34 -0.662 3.423 -4.214 288 HD1 TYR 34 HD1 TYR 34 -0.758 4.156 -6.536 289 HD2 TYR 34 HD2 TYR 34 -1.422 0.052 -5.581 290 HE1 TYR 34 HE1 TYR 34 -1.599 3.768 -8.802 291 HE2 TYR 34 HE2 TYR 34 -2.273 -0.330 -7.854 292 HH TYR 34 HH TYR 34 -3.177 0.838 -9.708 293 H ASP 35 H ASP 35 2.152 4.279 -3.931 294 HA ASP 35 HA ASP 35 3.520 3.752 -1.528 295 HB2 ASP 35 2HB ASP 35 4.300 5.462 -3.178 296 HB3 ASP 35 1HB ASP 35 2.914 6.466 -2.772 297 H LEU 36 H LEU 36 2.649 3.584 0.375 298 HA LEU 36 HA LEU 36 0.175 5.020 1.070 299 HB2 LEU 36 2HB LEU 36 0.639 2.337 1.239 300 HB3 LEU 36 1HB LEU 36 1.221 2.813 2.816 301 HG LEU 36 HG LEU 36 -1.114 2.048 2.925 302 HD11 LEU 36 1HD1 LEU 36 -0.434 3.788 4.522 303 HD12 LEU 36 2HD1 LEU 36 -2.142 3.899 4.110 304 HD13 LEU 36 3HD1 LEU 36 -0.991 5.036 3.402 305 HD21 LEU 36 1HD2 LEU 36 -1.808 4.344 1.072 306 HD22 LEU 36 2HD2 LEU 36 -2.934 3.200 1.805 307 HD23 LEU 36 3HD2 LEU 36 -1.766 2.645 0.615 308 H THR 37 H THR 37 3.542 4.716 1.637 309 HA THR 37 HA THR 37 4.095 5.491 4.192 310 HB THR 37 HB THR 37 5.519 6.192 1.588 311 HG1 THR 37 HG1 THR 37 5.294 3.933 2.473 312 HG21 THR 37 1HG2 THR 37 6.601 6.542 4.412 313 HG22 THR 37 2HG2 THR 37 6.263 7.833 3.256 314 HG23 THR 37 3HG2 THR 37 7.549 6.674 2.930 315 H LYS 38 H LYS 38 3.414 7.672 1.454 316 HA LYS 38 HA LYS 38 3.420 10.056 3.139 317 HB2 LYS 38 2HB LYS 38 4.353 10.067 0.827 318 HB3 LYS 38 1HB LYS 38 2.769 9.678 0.194 319 HG2 LYS 38 2HG LYS 38 3.146 11.994 -0.210 320 HG3 LYS 38 1HG LYS 38 1.918 11.876 1.043 321 HD2 LYS 38 2HD LYS 38 4.824 12.315 1.793 322 HD3 LYS 38 1HD LYS 38 3.836 13.667 1.244 323 HE2 LYS 38 2HE LYS 38 3.295 11.913 3.660 324 HE3 LYS 38 1HE LYS 38 3.849 13.584 3.682 325 HZ1 LYS 38 1HZ LYS 38 1.206 12.617 2.702 326 HZ2 LYS 38 2HZ LYS 38 1.742 14.219 2.607 327 HZ3 LYS 38 3HZ LYS 38 1.502 13.500 4.113 328 H PHE 39 H PHE 39 1.095 7.998 1.445 329 HA PHE 39 HA PHE 39 -1.192 9.582 1.472 330 HB2 PHE 39 2HB PHE 39 -0.901 7.585 0.083 331 HB3 PHE 39 1HB PHE 39 -0.899 6.552 1.500 332 HD1 PHE 39 HD1 PHE 39 -3.089 8.829 -0.524 333 HD2 PHE 39 HD2 PHE 39 -2.948 5.652 2.330 334 HE1 PHE 39 HE1 PHE 39 -5.509 8.446 -0.800 335 HE2 PHE 39 HE2 PHE 39 -5.359 5.283 2.042 336 HZ PHE 39 HZ PHE 39 -6.637 6.676 0.477 337 H LEU 40 H LEU 40 0.145 7.605 4.043 338 HA LEU 40 HA LEU 40 -2.207 7.582 5.688 339 HB2 LEU 40 2HB LEU 40 -0.649 6.653 7.443 340 HB3 LEU 40 1HB LEU 40 -0.746 5.756 5.945 341 HG LEU 40 HG LEU 40 1.475 7.003 5.292 342 HD11 LEU 40 1HD1 LEU 40 2.951 7.581 7.144 343 HD12 LEU 40 2HD1 LEU 40 1.633 7.324 8.291 344 HD13 LEU 40 3HD1 LEU 40 1.529 8.624 7.108 345 HD21 LEU 40 1HD2 LEU 40 2.839 5.262 6.349 346 HD22 LEU 40 2HD2 LEU 40 1.351 4.601 5.679 347 HD23 LEU 40 3HD2 LEU 40 1.495 4.851 7.419 348 H GLU 41 H GLU 41 0.473 9.781 5.301 349 HA GLU 41 HA GLU 41 0.083 11.269 7.726 350 HB2 GLU 41 2HB GLU 41 1.565 11.969 5.167 351 HB3 GLU 41 1HB GLU 41 1.580 12.976 6.611 352 HG2 GLU 41 2HG GLU 41 2.599 10.124 6.465 353 HG3 GLU 41 1HG GLU 41 3.608 11.561 6.373 354 H GLU 42 H GLU 42 -1.453 11.336 4.589 355 HA GLU 42 HA GLU 42 -2.793 13.811 4.726 356 HB2 GLU 42 2HB GLU 42 -3.310 11.173 3.367 357 HB3 GLU 42 1HB GLU 42 -4.635 12.316 3.434 358 HG2 GLU 42 2HG GLU 42 -3.250 12.362 1.322 359 HG3 GLU 42 1HG GLU 42 -3.482 13.915 2.122 360 H PHE 43 H PHE 43 -3.265 10.841 6.470 361 HA PHE 43 HA PHE 43 -5.721 11.806 7.781 362 HB2 PHE 43 2HB PHE 43 -4.351 9.153 8.359 363 HB3 PHE 43 1HB PHE 43 -6.050 9.573 8.557 364 HD1 PHE 43 HD1 PHE 43 -4.215 7.391 6.820 365 HD2 PHE 43 HD2 PHE 43 -6.842 10.662 5.995 366 HE1 PHE 43 HE1 PHE 43 -4.637 6.491 4.563 367 HE2 PHE 43 HE2 PHE 43 -7.266 9.758 3.758 368 HZ PHE 43 HZ PHE 43 -6.179 7.692 3.038 369 HA PRO 44 HA PRO 44 -2.969 13.529 11.007 370 HB2 PRO 44 2HB PRO 44 -5.548 13.754 12.537 371 HB3 PRO 44 1HB PRO 44 -4.347 15.009 12.158 372 HG2 PRO 44 2HG PRO 44 -6.665 14.962 10.878 373 HG3 PRO 44 1HG PRO 44 -5.172 15.352 10.000 374 HD2 PRO 44 2HD PRO 44 -6.710 12.757 10.054 375 HD3 PRO 44 1HD PRO 44 -5.961 13.596 8.674 376 H GLY 45 H GLY 45 -1.869 11.677 11.547 377 HA2 GLY 45 2HA GLY 45 -1.115 9.973 12.896 378 HA3 GLY 45 1HA GLY 45 -2.366 10.407 14.054 379 H GLY 46 H GLY 46 -2.902 9.455 10.679 380 HA2 GLY 46 2HA GLY 46 -4.709 7.289 11.575 381 HA3 GLY 46 1HA GLY 46 -4.723 8.084 10.010 382 H GLU 47 H GLU 47 -1.593 7.391 10.943 383 HA GLU 47 HA GLU 47 -1.111 5.382 9.018 384 HB2 GLU 47 2HB GLU 47 0.579 6.976 9.790 385 HB3 GLU 47 1HB GLU 47 0.500 6.343 11.424 386 HG2 GLU 47 2HG GLU 47 1.311 4.523 9.176 387 HG3 GLU 47 1HG GLU 47 2.468 5.694 9.797 388 H GLU 48 H GLU 48 -1.642 5.271 12.504 389 HA GLU 48 HA GLU 48 -1.014 2.558 12.955 390 HB2 GLU 48 2HB GLU 48 -2.269 2.905 15.133 391 HB3 GLU 48 1HB GLU 48 -0.985 4.069 14.810 392 HG2 GLU 48 2HG GLU 48 -2.658 5.727 14.088 393 HG3 GLU 48 1HG GLU 48 -3.943 4.562 14.373 394 H VAL 49 H VAL 49 -3.962 4.024 11.732 395 HA VAL 49 HA VAL 49 -5.666 1.788 12.453 396 HB VAL 49 HB VAL 49 -6.408 4.262 12.274 397 HG11 VAL 49 1HG1 VAL 49 -6.663 3.599 9.337 398 HG12 VAL 49 2HG1 VAL 49 -5.562 4.774 10.048 399 HG13 VAL 49 3HG1 VAL 49 -7.301 5.038 10.136 400 HG21 VAL 49 1HG2 VAL 49 -8.009 2.465 12.716 401 HG22 VAL 49 2HG2 VAL 49 -8.160 2.148 10.985 402 HG23 VAL 49 3HG2 VAL 49 -8.724 3.681 11.654 403 H LEU 50 H LEU 50 -3.508 2.414 9.890 404 HA LEU 50 HA LEU 50 -4.769 0.376 8.141 405 HB2 LEU 50 2HB LEU 50 -3.535 1.533 6.240 406 HB3 LEU 50 1HB LEU 50 -4.888 2.404 6.926 407 HG LEU 50 HG LEU 50 -3.066 3.675 8.341 408 HD11 LEU 50 1HD1 LEU 50 -1.304 2.649 6.100 409 HD12 LEU 50 2HD1 LEU 50 -1.135 2.306 7.822 410 HD13 LEU 50 3HD1 LEU 50 -0.888 3.945 7.226 411 HD21 LEU 50 1HD2 LEU 50 -4.469 4.754 6.652 412 HD22 LEU 50 2HD2 LEU 50 -3.371 4.233 5.375 413 HD23 LEU 50 3HD2 LEU 50 -2.823 5.381 6.597 414 H ARG 51 H ARG 51 -2.161 1.042 10.142 415 HA ARG 51 HA ARG 51 0.096 -0.015 8.957 416 HB2 ARG 51 2HB ARG 51 0.105 1.091 11.159 417 HB3 ARG 51 1HB ARG 51 -0.774 -0.260 11.866 418 HG2 ARG 51 2HG ARG 51 1.230 -1.731 11.313 419 HG3 ARG 51 1HG ARG 51 2.087 -0.272 10.817 420 HD2 ARG 51 2HD ARG 51 0.991 -0.854 13.585 421 HD3 ARG 51 1HD ARG 51 2.691 -0.911 13.112 422 HE ARG 51 HE ARG 51 2.261 1.581 12.531 423 HH11 ARG 51 1HH1 ARG 51 0.848 -0.103 15.288 424 HH12 ARG 51 2HH1 ARG 51 0.731 1.334 16.253 425 HH21 ARG 51 1HH2 ARG 51 2.073 3.447 13.797 426 HH22 ARG 51 2HH2 ARG 51 1.424 3.350 15.408 427 H GLU 52 H GLU 52 -2.477 -1.780 10.627 428 HA GLU 52 HA GLU 52 -1.257 -4.358 10.572 429 HB2 GLU 52 2HB GLU 52 -3.268 -3.299 12.019 430 HB3 GLU 52 1HB GLU 52 -4.259 -4.029 10.772 431 HG2 GLU 52 2HG GLU 52 -2.288 -5.500 12.545 432 HG3 GLU 52 1HG GLU 52 -4.028 -5.439 12.794 433 H GLN 53 H GLN 53 -3.405 -2.596 8.423 434 HA GLN 53 HA GLN 53 -3.980 -4.810 6.637 435 HB2 GLN 53 2HB GLN 53 -4.595 -1.832 6.443 436 HB3 GLN 53 1HB GLN 53 -5.111 -3.022 5.255 437 HG2 GLN 53 2HG GLN 53 -6.975 -2.543 6.672 438 HG3 GLN 53 1HG GLN 53 -6.427 -4.176 7.036 439 HE21 GLN 53 1HE2 GLN 53 -7.479 -4.097 9.048 440 HE22 GLN 53 2HE2 GLN 53 -6.877 -3.174 10.376 441 H ALA 54 H ALA 54 -1.498 -2.464 6.952 442 HA ALA 54 HA ALA 54 -0.651 -2.172 4.245 443 HB1 ALA 54 1HB ALA 54 -0.040 -0.564 6.012 444 HB2 ALA 54 2HB ALA 54 1.400 -1.209 5.219 445 HB3 ALA 54 3HB ALA 54 0.929 -1.802 6.816 446 H GLY 55 H GLY 55 1.376 -3.052 3.303 447 HA2 GLY 55 2HA GLY 55 2.666 -4.859 2.627 448 HA3 GLY 55 1HA GLY 55 2.500 -5.516 4.248 449 H GLY 56 H GLY 56 -0.389 -4.715 2.586 450 HA2 GLY 56 2HA GLY 56 -0.900 -7.310 1.425 451 HA3 GLY 56 1HA GLY 56 -1.773 -7.007 2.929 452 H ASP 57 H ASP 57 -3.720 -6.016 2.720 453 HA ASP 57 HA ASP 57 -4.684 -5.652 0.046 454 HB2 ASP 57 2HB ASP 57 -6.106 -6.710 1.762 455 HB3 ASP 57 1HB ASP 57 -6.130 -5.212 2.691 456 H ALA 58 H ALA 58 -5.583 -3.924 -0.902 457 HA ALA 58 HA ALA 58 -5.441 -1.239 0.286 458 HB1 ALA 58 1HB ALA 58 -3.573 -1.483 -1.336 459 HB2 ALA 58 2HB ALA 58 -4.769 -0.300 -1.864 460 HB3 ALA 58 3HB ALA 58 -4.735 -1.911 -2.592 461 H THR 59 H THR 59 -6.957 -3.668 -1.707 462 HA THR 59 HA THR 59 -8.464 -2.139 -3.466 463 HB THR 59 HB THR 59 -9.687 -4.753 -2.620 464 HG1 THR 59 HG1 THR 59 -7.790 -5.657 -2.438 465 HG21 THR 59 1HG2 THR 59 -9.609 -5.225 -5.025 466 HG22 THR 59 2HG2 THR 59 -8.651 -3.772 -5.306 467 HG23 THR 59 3HG2 THR 59 -10.328 -3.632 -4.759 468 H GLU 60 H GLU 60 -9.244 -3.334 -0.271 469 HA GLU 60 HA GLU 60 -11.747 -1.761 -0.168 470 HB2 GLU 60 2HB GLU 60 -10.663 -3.837 1.779 471 HB3 GLU 60 1HB GLU 60 -12.260 -3.094 1.838 472 HG2 GLU 60 2HG GLU 60 -12.873 -4.184 -0.272 473 HG3 GLU 60 1HG GLU 60 -11.252 -4.873 -0.402 474 H ASN 61 H ASN 61 -8.520 -2.144 1.177 475 HA ASN 61 HA ASN 61 -8.835 -0.817 3.624 476 HB2 ASN 61 2HB ASN 61 -6.959 -2.326 3.221 477 HB3 ASN 61 1HB ASN 61 -6.308 -1.239 1.993 478 HD21 ASN 61 1HD2 ASN 61 -4.447 -0.517 2.894 479 HD22 ASN 61 2HD2 ASN 61 -4.320 0.238 4.434 480 H PHE 62 H PHE 62 -7.275 0.497 0.611 481 HA PHE 62 HA PHE 62 -6.490 2.934 1.692 482 HB2 PHE 62 2HB PHE 62 -6.007 3.739 -0.507 483 HB3 PHE 62 1HB PHE 62 -5.742 2.010 -0.582 484 HD1 PHE 62 HD1 PHE 62 -6.867 0.701 -2.261 485 HD2 PHE 62 HD2 PHE 62 -8.205 4.689 -1.528 486 HE1 PHE 62 HE1 PHE 62 -8.338 0.587 -4.231 487 HE2 PHE 62 HE2 PHE 62 -9.674 4.550 -3.490 488 HZ PHE 62 HZ PHE 62 -9.743 2.506 -4.842 489 H GLU 63 H GLU 63 -9.598 1.951 0.499 490 HA GLU 63 HA GLU 63 -10.733 4.637 0.456 491 HB2 GLU 63 2HB GLU 63 -11.317 3.033 -1.328 492 HB3 GLU 63 1HB GLU 63 -11.970 1.914 -0.136 493 HG2 GLU 63 2HG GLU 63 -13.735 3.557 0.428 494 HG3 GLU 63 1HG GLU 63 -13.070 4.671 -0.769 495 H ASP 64 H ASP 64 -10.625 1.807 2.526 496 HA ASP 64 HA ASP 64 -12.920 2.425 4.161 497 HB2 ASP 64 2HB ASP 64 -12.164 0.106 3.988 498 HB3 ASP 64 1HB ASP 64 -10.568 0.525 4.595 499 H VAL 65 H VAL 65 -9.402 2.505 4.778 500 HA VAL 65 HA VAL 65 -9.659 4.187 7.133 501 HB VAL 65 HB VAL 65 -7.219 4.071 7.260 502 HG11 VAL 65 1HG1 VAL 65 -8.480 2.157 8.136 503 HG12 VAL 65 2HG1 VAL 65 -6.925 1.635 7.489 504 HG13 VAL 65 3HG1 VAL 65 -8.403 1.358 6.561 505 HG21 VAL 65 1HG2 VAL 65 -5.863 2.872 5.559 506 HG22 VAL 65 2HG2 VAL 65 -6.640 4.302 4.886 507 HG23 VAL 65 3HG2 VAL 65 -7.292 2.703 4.541 508 H GLY 66 H GLY 66 -9.661 4.769 3.828 509 HA2 GLY 66 2HA GLY 66 -8.326 7.391 3.977 510 HA3 GLY 66 1HA GLY 66 -8.684 6.486 2.519 511 H PHE 67 H PHE 67 -9.241 9.077 2.576 512 HA PHE 67 HA PHE 67 -11.914 9.780 3.258 513 HB2 PHE 67 2HB PHE 67 -10.114 10.959 1.086 514 HB3 PHE 67 1HB PHE 67 -11.495 11.738 1.824 515 HD1 PHE 67 HD1 PHE 67 -11.279 11.790 4.570 516 HD2 PHE 67 HD2 PHE 67 -8.037 11.780 1.769 517 HE1 PHE 67 HE1 PHE 67 -9.824 12.853 6.242 518 HE2 PHE 67 HE2 PHE 67 -6.590 12.839 3.460 519 HZ PHE 67 HZ PHE 67 -7.483 13.376 5.693 520 H SER 68 H SER 68 -13.793 9.349 2.148 521 HA SER 68 HA SER 68 -14.106 7.155 0.568 522 HB2 SER 68 2HB SER 68 -16.401 8.095 0.024 523 HB3 SER 68 1HB SER 68 -15.978 8.126 1.735 524 HG SER 68 HG SER 68 -15.319 10.348 1.401 525 H THR 69 H THR 69 -14.213 10.502 -0.741 526 HA THR 69 HA THR 69 -14.240 9.605 -3.500 527 HB THR 69 HB THR 69 -14.025 12.425 -2.326 528 HG1 THR 69 HG1 THR 69 -15.979 11.625 -1.739 529 HG21 THR 69 1HG2 THR 69 -14.835 13.214 -4.530 530 HG22 THR 69 2HG2 THR 69 -14.766 11.566 -5.153 531 HG23 THR 69 3HG2 THR 69 -13.278 12.390 -4.688 532 H ASP 70 H ASP 70 -12.005 11.409 -1.395 533 HA ASP 70 HA ASP 70 -10.105 12.135 -3.317 534 HB2 ASP 70 2HB ASP 70 -9.722 11.765 -0.314 535 HB3 ASP 70 1HB ASP 70 -8.563 12.557 -1.372 536 H ALA 71 H ALA 71 -10.034 9.410 -1.018 537 HA ALA 71 HA ALA 71 -7.482 8.413 -1.437 538 HB1 ALA 71 1HB ALA 71 -8.969 7.656 0.375 539 HB2 ALA 71 2HB ALA 71 -8.319 6.282 -0.524 540 HB3 ALA 71 3HB ALA 71 -9.984 6.808 -0.791 541 H ARG 72 H ARG 72 -10.386 7.875 -3.331 542 HA ARG 72 HA ARG 72 -9.576 5.664 -4.882 543 HB2 ARG 72 2HB ARG 72 -11.602 7.848 -5.519 544 HB3 ARG 72 1HB ARG 72 -11.453 6.333 -6.401 545 HG2 ARG 72 2HG ARG 72 -12.117 5.059 -4.437 546 HG3 ARG 72 1HG ARG 72 -12.120 6.526 -3.450 547 HD2 ARG 72 2HD ARG 72 -14.412 5.853 -4.102 548 HD3 ARG 72 1HD ARG 72 -13.981 7.437 -4.740 549 HE ARG 72 HE ARG 72 -14.048 6.598 -6.895 550 HH11 ARG 72 1HH1 ARG 72 -14.498 3.950 -4.616 551 HH12 ARG 72 2HH1 ARG 72 -15.034 2.843 -5.840 552 HH21 ARG 72 1HH2 ARG 72 -14.758 5.138 -8.475 553 HH22 ARG 72 2HH2 ARG 72 -15.181 3.516 -8.025 554 H GLU 73 H GLU 73 -9.354 9.182 -5.500 555 HA GLU 73 HA GLU 73 -7.928 8.743 -8.031 556 HB2 GLU 73 2HB GLU 73 -8.018 11.179 -8.292 557 HB3 GLU 73 1HB GLU 73 -9.610 10.526 -7.932 558 HG2 GLU 73 2HG GLU 73 -9.431 11.298 -5.608 559 HG3 GLU 73 1HG GLU 73 -7.802 11.898 -5.915 560 H LEU 74 H LEU 74 -7.160 9.343 -4.720 561 HA LEU 74 HA LEU 74 -4.549 10.471 -5.078 562 HB2 LEU 74 2HB LEU 74 -5.817 9.074 -2.688 563 HB3 LEU 74 1HB LEU 74 -4.173 9.690 -2.661 564 HG LEU 74 HG LEU 74 -6.682 11.376 -3.020 565 HD11 LEU 74 1HD1 LEU 74 -6.180 12.266 -0.791 566 HD12 LEU 74 2HD1 LEU 74 -4.805 11.169 -0.642 567 HD13 LEU 74 3HD1 LEU 74 -6.447 10.524 -0.732 568 HD21 LEU 74 1HD2 LEU 74 -5.180 13.321 -2.810 569 HD22 LEU 74 2HD2 LEU 74 -4.837 12.370 -4.253 570 HD23 LEU 74 3HD2 LEU 74 -3.779 12.242 -2.841 571 H SER 75 H SER 75 -5.853 7.189 -4.859 572 HA SER 75 HA SER 75 -3.558 5.644 -4.707 573 HB2 SER 75 2HB SER 75 -6.030 5.110 -6.423 574 HB3 SER 75 1HB SER 75 -4.820 3.899 -5.987 575 HG SER 75 HG SER 75 -5.913 5.317 -3.876 576 H LYS 76 H LYS 76 -5.039 7.149 -7.568 577 HA LYS 76 HA LYS 76 -3.286 6.219 -9.549 578 HB2 LYS 76 2HB LYS 76 -5.490 7.268 -10.020 579 HB3 LYS 76 1HB LYS 76 -4.867 8.827 -9.494 580 HG2 LYS 76 2HG LYS 76 -3.215 8.749 -11.392 581 HG3 LYS 76 1HG LYS 76 -3.961 7.243 -11.924 582 HD2 LYS 76 2HD LYS 76 -4.856 9.055 -13.263 583 HD3 LYS 76 1HD LYS 76 -6.136 8.463 -12.203 584 HE2 LYS 76 2HE LYS 76 -6.166 10.904 -12.283 585 HE3 LYS 76 1HE LYS 76 -5.715 10.370 -10.662 586 HZ1 LYS 76 1HZ LYS 76 -4.326 12.196 -11.412 587 HZ2 LYS 76 2HZ LYS 76 -3.838 11.320 -12.768 588 HZ3 LYS 76 3HZ LYS 76 -3.391 10.806 -11.223 589 H LYS 77 H LYS 77 -3.032 8.985 -7.378 590 HA LYS 77 HA LYS 77 -0.794 10.265 -8.647 591 HB2 LYS 77 2HB LYS 77 -2.503 11.404 -7.108 592 HB3 LYS 77 1HB LYS 77 -1.706 10.636 -5.748 593 HG2 LYS 77 2HG LYS 77 -0.164 12.404 -7.661 594 HG3 LYS 77 1HG LYS 77 -1.110 13.107 -6.355 595 HD2 LYS 77 2HD LYS 77 0.348 12.367 -4.702 596 HD3 LYS 77 1HD LYS 77 0.851 10.948 -5.619 597 HE2 LYS 77 2HE LYS 77 2.680 12.596 -5.376 598 HE3 LYS 77 1HE LYS 77 2.250 12.328 -7.063 599 HZ1 LYS 77 1HZ LYS 77 0.934 14.389 -6.960 600 HZ2 LYS 77 2HZ LYS 77 2.577 14.646 -6.674 601 HZ3 LYS 77 3HZ LYS 77 1.485 14.654 -5.388 602 H TYR 78 H TYR 78 -1.210 7.906 -6.057 603 HA TYR 78 HA TYR 78 1.624 7.976 -5.324 604 HB2 TYR 78 2HB TYR 78 -0.826 6.635 -4.100 605 HB3 TYR 78 1HB TYR 78 0.809 6.330 -3.516 606 HD1 TYR 78 HD1 TYR 78 -2.048 8.426 -3.075 607 HD2 TYR 78 HD2 TYR 78 2.227 8.488 -2.915 608 HE1 TYR 78 HE1 TYR 78 -2.126 10.454 -1.696 609 HE2 TYR 78 HE2 TYR 78 2.132 10.513 -1.544 610 HH TYR 78 HH TYR 78 -0.609 11.586 -0.014 611 H ILE 79 H ILE 79 0.975 6.968 -7.943 612 HA ILE 79 HA ILE 79 1.416 4.132 -7.945 613 HB ILE 79 HB ILE 79 0.388 5.106 -9.902 614 HG12 ILE 79 2HG1 ILE 79 1.851 4.253 -11.742 615 HG13 ILE 79 1HG1 ILE 79 3.204 4.177 -10.619 616 HG21 ILE 79 1HG2 ILE 79 1.482 6.702 -11.413 617 HG22 ILE 79 2HG2 ILE 79 2.854 6.813 -10.311 618 HG23 ILE 79 3HG2 ILE 79 1.264 7.379 -9.796 619 HD11 ILE 79 1HD1 ILE 79 0.644 2.602 -10.339 620 HD12 ILE 79 2HD1 ILE 79 2.094 2.453 -9.338 621 HD13 ILE 79 3HD1 ILE 79 2.143 1.996 -11.040 622 H ILE 80 H ILE 80 3.130 3.568 -6.724 623 HA ILE 80 HA ILE 80 5.729 4.910 -6.975 624 HB ILE 80 HB ILE 80 4.725 4.357 -4.705 625 HG12 ILE 80 2HG1 ILE 80 7.462 3.111 -5.209 626 HG13 ILE 80 1HG1 ILE 80 7.166 4.832 -5.002 627 HG21 ILE 80 1HG2 ILE 80 4.864 2.080 -3.819 628 HG22 ILE 80 2HG2 ILE 80 5.454 1.490 -5.373 629 HG23 ILE 80 3HG2 ILE 80 3.814 2.124 -5.239 630 HD11 ILE 80 1HD1 ILE 80 6.370 4.401 -2.716 631 HD12 ILE 80 2HD1 ILE 80 8.033 3.876 -2.972 632 HD13 ILE 80 3HD1 ILE 80 6.733 2.684 -2.927 633 H GLY 81 H GLY 81 4.067 2.101 -8.048 634 HA2 GLY 81 2HA GLY 81 5.648 1.355 -10.117 635 HA3 GLY 81 1HA GLY 81 6.390 0.521 -8.750 636 H GLU 82 H GLU 82 5.827 -1.506 -9.667 637 HA GLU 82 HA GLU 82 3.051 -2.311 -9.024 638 HB2 GLU 82 2HB GLU 82 3.152 -4.014 -10.833 639 HB3 GLU 82 1HB GLU 82 3.233 -2.370 -11.457 640 HG2 GLU 82 2HG GLU 82 5.614 -2.563 -11.849 641 HG3 GLU 82 1HG GLU 82 5.663 -4.145 -11.057 642 H LEU 83 H LEU 83 2.861 -4.307 -7.982 643 HA LEU 83 HA LEU 83 5.159 -5.168 -6.474 644 HB2 LEU 83 2HB LEU 83 2.633 -4.936 -5.738 645 HB3 LEU 83 1HB LEU 83 2.446 -6.526 -6.435 646 HG LEU 83 HG LEU 83 2.693 -6.549 -3.962 647 HD11 LEU 83 1HD1 LEU 83 4.288 -8.329 -3.721 648 HD12 LEU 83 2HD1 LEU 83 5.030 -7.927 -5.273 649 HD13 LEU 83 3HD1 LEU 83 3.376 -8.533 -5.214 650 HD21 LEU 83 1HD2 LEU 83 4.139 -4.608 -3.701 651 HD22 LEU 83 2HD2 LEU 83 5.485 -5.490 -4.431 652 HD23 LEU 83 3HD2 LEU 83 4.815 -6.017 -2.886 653 H HIS 84 H HIS 84 6.049 -7.203 -6.525 654 HA HIS 84 HA HIS 84 6.600 -8.401 -8.991 655 HB2 HIS 84 2HB HIS 84 8.010 -8.343 -6.824 656 HB3 HIS 84 1HB HIS 84 7.014 -9.668 -6.244 657 HD1 HIS 84 HD1 HIS 84 8.331 -11.747 -6.424 658 HD2 HIS 84 HD2 HIS 84 9.044 -9.183 -9.610 659 HE1 HIS 84 HE1 HIS 84 9.998 -12.929 -7.883 660 HE2 HIS 84 HE2 HIS 84 10.596 -11.234 -9.642 661 HA PRO 85 HA PRO 85 2.738 -10.778 -9.446 662 HB2 PRO 85 2HB PRO 85 3.812 -12.636 -11.332 663 HB3 PRO 85 1HB PRO 85 2.973 -11.119 -11.691 664 HG2 PRO 85 2HG PRO 85 5.892 -11.669 -11.608 665 HG3 PRO 85 1HG PRO 85 4.979 -10.547 -12.641 666 HD2 PRO 85 2HD PRO 85 6.455 -9.647 -10.577 667 HD3 PRO 85 1HD PRO 85 4.920 -8.877 -11.013 668 H ASP 86 H ASP 86 5.816 -12.428 -8.809 669 HA ASP 86 HA ASP 86 4.812 -14.837 -7.746 670 HB2 ASP 86 2HB ASP 86 7.165 -14.620 -8.276 671 HB3 ASP 86 1HB ASP 86 7.359 -13.275 -7.166 672 H ASP 87 H ASP 87 5.760 -11.814 -6.097 673 HA ASP 87 HA ASP 87 5.397 -12.810 -3.462 674 HB2 ASP 87 2HB ASP 87 5.932 -10.103 -4.672 675 HB3 ASP 87 1HB ASP 87 5.488 -10.184 -2.972 676 H ARG 88 H ARG 88 3.282 -10.901 -5.558 677 HA ARG 88 HA ARG 88 1.391 -10.126 -3.599 678 HB2 ARG 88 2HB ARG 88 -0.061 -9.586 -5.542 679 HB3 ARG 88 1HB ARG 88 1.569 -8.958 -5.717 680 HG2 ARG 88 2HG ARG 88 1.255 -9.769 -7.847 681 HG3 ARG 88 1HG ARG 88 1.945 -11.198 -7.094 682 HD2 ARG 88 2HD ARG 88 -0.425 -12.032 -6.718 683 HD3 ARG 88 1HD ARG 88 -0.989 -10.673 -7.694 684 HE ARG 88 HE ARG 88 0.986 -12.258 -9.041 685 HH11 ARG 88 1HH1 ARG 88 -2.452 -12.170 -8.278 686 HH12 ARG 88 2HH1 ARG 88 -2.888 -13.161 -9.639 687 HH21 ARG 88 1HH2 ARG 88 0.377 -13.560 -10.791 688 HH22 ARG 88 2HH2 ARG 88 -1.299 -13.933 -11.041 689 H SER 89 H SER 89 1.820 -13.078 -5.377 690 HA SER 89 HA SER 89 -0.705 -14.246 -4.435 691 HB2 SER 89 2HB SER 89 -0.032 -14.580 -6.806 692 HB3 SER 89 1HB SER 89 1.435 -15.402 -6.272 693 HG SER 89 HG SER 89 0.130 -17.067 -6.526 694 H LYS 90 H LYS 90 2.731 -14.305 -3.827 695 HA LYS 90 HA LYS 90 3.013 -16.763 -2.436 696 HB2 LYS 90 2HB LYS 90 4.960 -15.599 -3.379 697 HB3 LYS 90 1HB LYS 90 4.671 -14.200 -2.356 698 HG2 LYS 90 2HG LYS 90 5.164 -15.667 -0.353 699 HG3 LYS 90 1HG LYS 90 5.639 -16.943 -1.479 700 HD2 LYS 90 2HD LYS 90 7.418 -15.486 -2.397 701 HD3 LYS 90 1HD LYS 90 6.917 -14.180 -1.318 702 HE2 LYS 90 2HE LYS 90 7.523 -15.554 0.636 703 HE3 LYS 90 1HE LYS 90 7.999 -16.876 -0.429 704 HZ1 LYS 90 1HZ LYS 90 9.283 -14.199 -0.283 705 HZ2 LYS 90 2HZ LYS 90 9.724 -15.430 -1.356 706 HZ3 LYS 90 3HZ LYS 90 9.915 -15.650 0.312 707 H ILE 91 H ILE 91 2.982 -13.428 -1.160 708 HA ILE 91 HA ILE 91 2.169 -14.390 1.515 709 HB ILE 91 HB ILE 91 3.187 -11.587 0.822 710 HG12 ILE 91 2HG1 ILE 91 4.906 -13.980 1.652 711 HG13 ILE 91 1HG1 ILE 91 4.897 -13.242 0.057 712 HG21 ILE 91 1HG2 ILE 91 3.840 -11.482 3.199 713 HG22 ILE 91 2HG2 ILE 91 3.244 -13.124 3.451 714 HG23 ILE 91 3HG2 ILE 91 2.116 -11.830 3.044 715 HD11 ILE 91 1HD1 ILE 91 5.783 -11.165 1.033 716 HD12 ILE 91 2HD1 ILE 91 6.838 -12.553 1.299 717 HD13 ILE 91 3HD1 ILE 91 5.835 -11.948 2.616 718 H ALA 92 H ALA 92 0.372 -14.196 -0.795 719 HA ALA 92 HA ALA 92 -1.415 -12.021 -0.661 720 HB1 ALA 92 1HB ALA 92 -1.976 -14.908 -1.425 721 HB2 ALA 92 2HB ALA 92 -1.428 -13.635 -2.515 722 HB3 ALA 92 3HB ALA 92 -3.023 -13.529 -1.774 723 H LYS 93 H LYS 93 -1.196 -15.056 1.143 724 HA LYS 93 HA LYS 93 -2.779 -13.968 3.313 725 HB2 LYS 93 2HB LYS 93 -4.273 -15.954 3.516 726 HB3 LYS 93 1HB LYS 93 -4.593 -14.994 2.090 727 HG2 LYS 93 2HG LYS 93 -3.039 -17.599 2.043 728 HG3 LYS 93 1HG LYS 93 -4.779 -17.492 1.793 729 HD2 LYS 93 2HD LYS 93 -4.314 -15.970 -0.181 730 HD3 LYS 93 1HD LYS 93 -2.596 -16.319 0.036 731 HE2 LYS 93 2HE LYS 93 -3.507 -17.752 -1.713 732 HE3 LYS 93 1HE LYS 93 -3.073 -18.740 -0.319 733 HZ1 LYS 93 1HZ LYS 93 -5.380 -18.837 0.319 734 HZ2 LYS 93 2HZ LYS 93 -5.226 -19.340 -1.283 735 HZ3 LYS 93 3HZ LYS 93 -5.827 -17.801 -0.944 736 HA PRO 94 HA PRO 94 0.682 -16.404 5.174 737 HB2 PRO 94 2HB PRO 94 1.210 -14.517 7.116 738 HB3 PRO 94 1HB PRO 94 1.963 -14.473 5.508 739 HG2 PRO 94 2HG PRO 94 -0.389 -12.908 6.526 740 HG3 PRO 94 1HG PRO 94 0.998 -12.357 5.556 741 HD2 PRO 94 2HD PRO 94 -1.414 -12.907 4.432 742 HD3 PRO 94 1HD PRO 94 0.116 -13.190 3.570 743 H SER 95 H SER 95 0.154 -17.838 6.811 744 HA SER 95 HA SER 95 -1.804 -17.162 8.876 745 HB2 SER 95 2HB SER 95 -3.230 -17.964 7.014 746 HB3 SER 95 1HB SER 95 -2.276 -19.442 6.894 747 HG SER 95 HG SER 95 -3.456 -20.245 8.418 748 H GLU 96 H GLU 96 -0.684 -17.693 10.613 749 HA GLU 96 HA GLU 96 0.977 -20.112 10.801 750 HB2 GLU 96 2HB GLU 96 0.428 -18.036 12.977 751 HB3 GLU 96 1HB GLU 96 1.762 -19.186 12.895 752 HG2 GLU 96 2HG GLU 96 2.720 -18.000 10.994 753 HG3 GLU 96 1HG GLU 96 1.357 -16.880 10.973 754 H THR 97 H THR 97 -2.064 -18.760 11.824 755 HA THR 97 HA THR 97 -2.774 -20.506 13.934 756 HB THR 97 HB THR 97 -3.895 -18.349 13.636 757 HG1 THR 97 HG1 THR 97 -5.145 -20.622 14.133 758 HG21 THR 97 1HG2 THR 97 -3.922 -18.221 11.165 759 HG22 THR 97 2HG2 THR 97 -5.522 -17.917 11.847 760 HG23 THR 97 3HG2 THR 97 -5.159 -19.481 11.114 761 H LEU 98 H LEU 98 -3.029 -20.817 10.451 762 HA LEU 98 HA LEU 98 -4.139 -23.534 10.715 763 HB2 LEU 98 2HB LEU 98 -5.901 -21.690 10.199 764 HB3 LEU 98 1HB LEU 98 -5.148 -21.565 8.626 765 HG LEU 98 HG LEU 98 -6.399 -24.142 9.672 766 HD11 LEU 98 1HD1 LEU 98 -8.380 -23.598 8.311 767 HD12 LEU 98 2HD1 LEU 98 -7.690 -22.018 7.924 768 HD13 LEU 98 3HD1 LEU 98 -8.121 -22.413 9.591 769 HD21 LEU 98 1HD2 LEU 98 -5.650 -23.322 6.839 770 HD22 LEU 98 2HD2 LEU 98 -6.461 -24.823 7.302 771 HD23 LEU 98 3HD2 LEU 98 -4.812 -24.515 7.836 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 19.831 -0.172 -9.349 2 H2 ALA 1 2H ALA 1 20.843 -1.279 -10.119 3 H3 ALA 1 3H ALA 1 19.456 -1.818 -9.322 4 HA ALA 1 HA ALA 1 18.046 -0.720 -10.869 5 HB1 ALA 1 1HB ALA 1 20.622 0.205 -12.197 6 HB2 ALA 1 2HB ALA 1 19.492 1.223 -11.306 7 HB3 ALA 1 3HB ALA 1 18.992 0.477 -12.824 8 H GLU 2 H GLU 2 17.200 -2.251 -12.165 9 HA GLU 2 HA GLU 2 18.931 -4.169 -13.607 10 HB2 GLU 2 2HB GLU 2 18.137 -5.403 -11.689 11 HB3 GLU 2 1HB GLU 2 16.506 -4.772 -11.860 12 HG2 GLU 2 2HG GLU 2 16.715 -7.173 -12.508 13 HG3 GLU 2 1HG GLU 2 16.091 -6.150 -13.800 14 H GLN 3 H GLN 3 15.482 -3.211 -13.269 15 HA GLN 3 HA GLN 3 14.746 -4.133 -15.836 16 HB2 GLN 3 2HB GLN 3 13.162 -3.907 -13.911 17 HB3 GLN 3 1HB GLN 3 13.264 -2.154 -14.046 18 HG2 GLN 3 2HG GLN 3 11.200 -3.002 -15.081 19 HG3 GLN 3 1HG GLN 3 12.246 -2.249 -16.285 20 HE21 GLN 3 1HE2 GLN 3 10.936 -5.281 -15.131 21 HE22 GLN 3 2HE2 GLN 3 11.345 -6.215 -16.524 22 H SER 4 H SER 4 15.490 -3.282 -17.653 23 HA SER 4 HA SER 4 16.290 -0.524 -17.985 24 HB2 SER 4 2HB SER 4 16.781 -1.317 -20.361 25 HB3 SER 4 1HB SER 4 17.632 -2.183 -19.087 26 HG SER 4 HG SER 4 16.560 -3.955 -19.543 27 H ASP 5 H ASP 5 13.350 -2.218 -18.288 28 HA ASP 5 HA ASP 5 12.007 -0.597 -20.230 29 HB2 ASP 5 2HB ASP 5 11.352 -2.929 -19.089 30 HB3 ASP 5 1HB ASP 5 10.565 -1.916 -17.898 31 H LYS 6 H LYS 6 9.997 0.761 -19.393 32 HA LYS 6 HA LYS 6 11.023 3.150 -18.385 33 HB2 LYS 6 2HB LYS 6 8.983 2.808 -19.876 34 HB3 LYS 6 1HB LYS 6 8.075 2.369 -18.436 35 HG2 LYS 6 2HG LYS 6 7.660 4.704 -19.108 36 HG3 LYS 6 1HG LYS 6 8.411 4.619 -17.509 37 HD2 LYS 6 2HD LYS 6 10.623 5.132 -18.543 38 HD3 LYS 6 1HD LYS 6 9.845 5.248 -20.125 39 HE2 LYS 6 2HE LYS 6 9.190 7.018 -17.749 40 HE3 LYS 6 1HE LYS 6 10.282 7.457 -19.061 41 HZ1 LYS 6 1HZ LYS 6 8.057 8.360 -19.351 42 HZ2 LYS 6 2HZ LYS 6 7.410 6.801 -19.398 43 HZ3 LYS 6 3HZ LYS 6 8.470 7.312 -20.608 44 H ASP 7 H ASP 7 10.220 4.414 -16.493 45 HA ASP 7 HA ASP 7 11.339 3.355 -14.208 46 HB2 ASP 7 2HB ASP 7 9.426 5.721 -14.413 47 HB3 ASP 7 1HB ASP 7 10.500 5.404 -13.053 48 H VAL 8 H VAL 8 10.311 1.342 -13.735 49 HA VAL 8 HA VAL 8 8.085 1.657 -11.820 50 HB VAL 8 HB VAL 8 7.258 -0.671 -12.422 51 HG11 VAL 8 1HG1 VAL 8 6.989 1.407 -14.627 52 HG12 VAL 8 2HG1 VAL 8 6.000 1.289 -13.170 53 HG13 VAL 8 3HG1 VAL 8 5.922 0.017 -14.388 54 HG21 VAL 8 1HG2 VAL 8 9.263 -1.489 -13.602 55 HG22 VAL 8 2HG2 VAL 8 8.986 -0.338 -14.909 56 HG23 VAL 8 3HG2 VAL 8 7.833 -1.644 -14.623 57 H LYS 9 H LYS 9 8.717 0.992 -9.869 58 HA LYS 9 HA LYS 9 11.142 -0.660 -9.576 59 HB2 LYS 9 2HB LYS 9 9.754 1.200 -7.596 60 HB3 LYS 9 1HB LYS 9 11.096 0.149 -7.168 61 HG2 LYS 9 2HG LYS 9 12.067 2.285 -7.504 62 HG3 LYS 9 1HG LYS 9 12.472 1.360 -8.947 63 HD2 LYS 9 2HD LYS 9 11.852 3.609 -9.603 64 HD3 LYS 9 1HD LYS 9 10.593 2.499 -10.157 65 HE2 LYS 9 2HE LYS 9 9.632 4.560 -9.205 66 HE3 LYS 9 1HE LYS 9 9.176 3.156 -8.239 67 HZ1 LYS 9 1HZ LYS 9 11.290 5.147 -7.610 68 HZ2 LYS 9 2HZ LYS 9 11.011 3.752 -6.700 69 HZ3 LYS 9 3HZ LYS 9 9.822 4.948 -6.800 70 H TYR 10 H TYR 10 10.827 -2.719 -9.204 71 HA TYR 10 HA TYR 10 8.246 -3.801 -8.538 72 HB2 TYR 10 2HB TYR 10 10.935 -5.168 -8.997 73 HB3 TYR 10 1HB TYR 10 9.422 -6.025 -8.716 74 HD1 TYR 10 HD1 TYR 10 10.879 -3.434 -11.034 75 HD2 TYR 10 HD2 TYR 10 8.168 -6.713 -10.593 76 HE1 TYR 10 HE1 TYR 10 10.392 -3.350 -13.429 77 HE2 TYR 10 HE2 TYR 10 7.684 -6.623 -13.001 78 HH TYR 10 HH TYR 10 7.791 -4.669 -14.807 79 H TYR 11 H TYR 11 7.786 -3.101 -6.477 80 HA TYR 11 HA TYR 11 9.475 -3.722 -4.198 81 HB2 TYR 11 2HB TYR 11 6.597 -2.746 -4.464 82 HB3 TYR 11 1HB TYR 11 7.262 -3.215 -2.904 83 HD1 TYR 11 HD1 TYR 11 8.004 -1.446 -1.575 84 HD2 TYR 11 HD2 TYR 11 8.326 -1.051 -5.819 85 HE1 TYR 11 HE1 TYR 11 8.967 0.789 -1.299 86 HE2 TYR 11 HE2 TYR 11 9.300 1.181 -5.540 87 HH TYR 11 HH TYR 11 10.443 2.336 -2.569 88 H THR 12 H THR 12 9.363 -5.549 -2.958 89 HA THR 12 HA THR 12 7.557 -7.718 -3.826 90 HB THR 12 HB THR 12 8.936 -9.201 -2.365 91 HG1 THR 12 HG1 THR 12 10.359 -8.426 -1.041 92 HG21 THR 12 1HG2 THR 12 11.006 -9.182 -3.713 93 HG22 THR 12 2HG2 THR 12 10.604 -7.574 -4.315 94 HG23 THR 12 3HG2 THR 12 9.582 -8.951 -4.734 95 H LEU 13 H LEU 13 6.115 -8.654 -2.367 96 HA LEU 13 HA LEU 13 4.954 -6.926 -0.430 97 HB2 LEU 13 2HB LEU 13 3.902 -8.809 -1.977 98 HB3 LEU 13 1HB LEU 13 4.275 -9.871 -0.630 99 HG LEU 13 HG LEU 13 2.784 -8.599 0.849 100 HD11 LEU 13 1HD1 LEU 13 2.306 -6.735 -1.504 101 HD12 LEU 13 2HD1 LEU 13 3.167 -6.339 -0.012 102 HD13 LEU 13 3HD1 LEU 13 1.445 -6.700 0.040 103 HD21 LEU 13 1HD2 LEU 13 1.417 -9.192 -1.800 104 HD22 LEU 13 2HD2 LEU 13 0.626 -9.063 -0.224 105 HD23 LEU 13 3HD2 LEU 13 1.768 -10.369 -0.530 106 H GLU 14 H GLU 14 7.301 -9.430 -0.363 107 HA GLU 14 HA GLU 14 7.603 -9.925 2.400 108 HB2 GLU 14 2HB GLU 14 8.563 -11.285 0.530 109 HB3 GLU 14 1HB GLU 14 9.666 -9.967 0.153 110 HG2 GLU 14 2HG GLU 14 10.722 -10.234 2.379 111 HG3 GLU 14 1HG GLU 14 9.631 -11.577 2.729 112 H GLU 15 H GLU 15 8.855 -7.386 0.270 113 HA GLU 15 HA GLU 15 10.680 -6.178 2.109 114 HB2 GLU 15 2HB GLU 15 10.228 -5.928 -0.589 115 HB3 GLU 15 1HB GLU 15 9.425 -4.476 -0.039 116 HG2 GLU 15 2HG GLU 15 12.311 -5.207 0.495 117 HG3 GLU 15 1HG GLU 15 11.758 -4.116 -0.771 118 H ILE 16 H ILE 16 7.326 -5.587 1.165 119 HA ILE 16 HA ILE 16 6.885 -3.322 2.884 120 HB ILE 16 HB ILE 16 4.680 -5.023 1.634 121 HG12 ILE 16 2HG1 ILE 16 6.186 -2.748 0.249 122 HG13 ILE 16 1HG1 ILE 16 6.335 -4.455 -0.155 123 HG21 ILE 16 1HG2 ILE 16 4.802 -2.061 2.340 124 HG22 ILE 16 2HG2 ILE 16 3.974 -3.311 3.269 125 HG23 ILE 16 3HG2 ILE 16 3.408 -2.898 1.650 126 HD11 ILE 16 1HD1 ILE 16 3.843 -2.784 -0.424 127 HD12 ILE 16 2HD1 ILE 16 3.976 -4.506 -0.797 128 HD13 ILE 16 3HD1 ILE 16 4.903 -3.328 -1.725 129 H GLN 17 H GLN 17 6.674 -6.779 3.229 130 HA GLN 17 HA GLN 17 4.896 -7.219 5.317 131 HB2 GLN 17 2HB GLN 17 6.114 -8.978 4.031 132 HB3 GLN 17 1HB GLN 17 7.600 -8.543 4.858 133 HG2 GLN 17 2HG GLN 17 6.470 -9.231 7.027 134 HG3 GLN 17 1HG GLN 17 5.149 -9.875 6.046 135 HE21 GLN 17 1HE2 GLN 17 6.994 -11.295 7.816 136 HE22 GLN 17 2HE2 GLN 17 7.794 -12.474 6.843 137 H LYS 18 H LYS 18 8.010 -5.683 5.371 138 HA LYS 18 HA LYS 18 8.283 -5.580 8.263 139 HB2 LYS 18 2HB LYS 18 9.849 -4.138 6.073 140 HB3 LYS 18 1HB LYS 18 10.338 -4.314 7.755 141 HG2 LYS 18 2HG LYS 18 10.083 -6.545 5.712 142 HG3 LYS 18 1HG LYS 18 11.588 -5.852 6.325 143 HD2 LYS 18 2HD LYS 18 10.993 -6.674 8.612 144 HD3 LYS 18 1HD LYS 18 9.533 -7.411 7.946 145 HE2 LYS 18 2HE LYS 18 10.896 -8.882 6.536 146 HE3 LYS 18 1HE LYS 18 12.373 -8.119 7.141 147 HZ1 LYS 18 1HZ LYS 18 11.903 -10.195 8.279 148 HZ2 LYS 18 2HZ LYS 18 10.404 -9.608 8.784 149 HZ3 LYS 18 3HZ LYS 18 11.824 -8.894 9.357 150 H HIS 19 H HIS 19 5.807 -4.524 7.511 151 HA HIS 19 HA HIS 19 5.871 -1.631 7.187 152 HB2 HIS 19 2HB HIS 19 3.316 -1.913 7.228 153 HB3 HIS 19 1HB HIS 19 4.155 -2.749 5.932 154 HD1 HIS 19 HD1 HIS 19 3.970 -5.293 5.848 155 HD2 HIS 19 HD2 HIS 19 2.215 -3.662 9.226 156 HE1 HIS 19 HE1 HIS 19 2.708 -7.172 6.926 157 HE2 HIS 19 HE2 HIS 19 1.463 -6.079 8.805 158 H LYS 20 H LYS 20 7.093 -2.424 9.590 159 HA LYS 20 HA LYS 20 5.494 -2.031 11.900 160 HB2 LYS 20 2HB LYS 20 7.707 -3.059 12.064 161 HB3 LYS 20 1HB LYS 20 8.475 -1.642 11.360 162 HG2 LYS 20 2HG LYS 20 8.902 -1.702 13.754 163 HG3 LYS 20 1HG LYS 20 7.877 -0.317 13.370 164 HD2 LYS 20 2HD LYS 20 5.880 -1.710 14.071 165 HD3 LYS 20 1HD LYS 20 7.003 -2.956 14.621 166 HE2 LYS 20 2HE LYS 20 6.207 -1.511 16.472 167 HE3 LYS 20 1HE LYS 20 7.955 -1.397 16.258 168 HZ1 LYS 20 1HZ LYS 20 6.007 0.560 15.153 169 HZ2 LYS 20 2HZ LYS 20 7.693 0.685 15.132 170 HZ3 LYS 20 3HZ LYS 20 6.858 0.769 16.596 171 H ASP 21 H ASP 21 7.613 0.148 10.044 172 HA ASP 21 HA ASP 21 6.488 2.523 11.395 173 HB2 ASP 21 2HB ASP 21 9.058 2.038 11.307 174 HB3 ASP 21 1HB ASP 21 8.972 2.464 9.603 175 H SER 22 H SER 22 6.069 4.396 10.025 176 HA SER 22 HA SER 22 4.272 3.879 7.937 177 HB2 SER 22 2HB SER 22 4.566 6.537 7.690 178 HB3 SER 22 1HB SER 22 3.725 5.831 9.061 179 HG SER 22 HG SER 22 5.363 6.283 10.342 180 H LYS 23 H LYS 23 7.684 4.650 7.891 181 HA LYS 23 HA LYS 23 7.831 5.406 5.136 182 HB2 LYS 23 2HB LYS 23 10.323 5.168 5.432 183 HB3 LYS 23 1HB LYS 23 9.528 6.245 6.567 184 HG2 LYS 23 2HG LYS 23 11.097 5.107 7.885 185 HG3 LYS 23 1HG LYS 23 9.585 4.297 8.241 186 HD2 LYS 23 2HD LYS 23 11.390 2.669 8.031 187 HD3 LYS 23 1HD LYS 23 10.223 2.443 6.727 188 HE2 LYS 23 2HE LYS 23 12.464 2.224 5.824 189 HE3 LYS 23 1HE LYS 23 11.771 3.725 5.208 190 HZ1 LYS 23 1HZ LYS 23 14.054 4.021 5.931 191 HZ2 LYS 23 2HZ LYS 23 13.661 3.498 7.488 192 HZ3 LYS 23 3HZ LYS 23 13.010 4.938 6.893 193 H SER 24 H SER 24 7.531 2.365 6.643 194 HA SER 24 HA SER 24 8.218 0.922 4.133 195 HB2 SER 24 2HB SER 24 8.155 -0.100 7.007 196 HB3 SER 24 1HB SER 24 8.527 -1.078 5.582 197 HG SER 24 HG SER 24 10.264 0.467 5.204 198 H THR 25 H THR 25 5.660 2.331 5.002 199 HA THR 25 HA THR 25 3.772 0.056 5.069 200 HB THR 25 HB THR 25 3.392 2.992 5.805 201 HG1 THR 25 HG1 THR 25 4.441 1.394 7.292 202 HG21 THR 25 1HG2 THR 25 1.314 0.775 5.883 203 HG22 THR 25 2HG2 THR 25 1.301 2.144 4.772 204 HG23 THR 25 3HG2 THR 25 1.099 2.408 6.504 205 H TRP 26 H TRP 26 3.348 -0.508 3.058 206 HA TRP 26 HA TRP 26 2.259 1.434 1.129 207 HB2 TRP 26 2HB TRP 26 4.193 -0.839 0.426 208 HB3 TRP 26 1HB TRP 26 3.421 0.238 -0.732 209 HD1 TRP 26 HD TRP 26 4.082 2.990 -0.207 210 HE1 TRP 26 HE1 TRP 26 6.418 3.953 0.219 211 HE3 TRP 26 HE3 TRP 26 6.474 -1.297 1.213 212 HZ2 TRP 26 HZ2 TRP 26 8.954 3.024 1.012 213 HZ3 TRP 26 HZ3 TRP 26 8.866 -1.181 1.783 214 HH2 TRP 26 HH TRP 26 10.084 0.939 1.685 215 H VAL 27 H VAL 27 0.664 0.452 -0.284 216 HA VAL 27 HA VAL 27 -0.371 -2.191 0.615 217 HB VAL 27 HB VAL 27 -2.681 -1.407 0.265 218 HG11 VAL 27 1HG1 VAL 27 -1.179 0.321 2.263 219 HG12 VAL 27 2HG1 VAL 27 -1.791 -1.312 2.533 220 HG13 VAL 27 3HG1 VAL 27 -2.920 0.016 2.268 221 HG21 VAL 27 1HG2 VAL 27 -3.212 0.996 -0.063 222 HG22 VAL 27 2HG2 VAL 27 -2.299 0.337 -1.420 223 HG23 VAL 27 3HG2 VAL 27 -1.488 1.354 -0.228 224 H ILE 28 H ILE 28 -1.640 -3.339 -1.001 225 HA ILE 28 HA ILE 28 -1.012 -2.624 -3.797 226 HB ILE 28 HB ILE 28 -0.350 -4.901 -4.347 227 HG12 ILE 28 2HG1 ILE 28 0.145 -6.424 -2.076 228 HG13 ILE 28 1HG1 ILE 28 -1.347 -5.629 -1.606 229 HG21 ILE 28 1HG2 ILE 28 1.778 -5.052 -3.055 230 HG22 ILE 28 2HG2 ILE 28 1.165 -3.835 -1.943 231 HG23 ILE 28 3HG2 ILE 28 1.429 -3.428 -3.641 232 HD11 ILE 28 1HD1 ILE 28 -2.472 -6.572 -3.557 233 HD12 ILE 28 2HD1 ILE 28 -1.729 -7.835 -2.574 234 HD13 ILE 28 3HD1 ILE 28 -0.958 -7.322 -4.075 235 H LEU 29 H LEU 29 -2.688 -2.774 -5.145 236 HA LEU 29 HA LEU 29 -5.298 -3.559 -4.172 237 HB2 LEU 29 2HB LEU 29 -4.268 -2.308 -6.714 238 HB3 LEU 29 1HB LEU 29 -5.823 -3.106 -6.781 239 HG LEU 29 HG LEU 29 -6.041 -0.656 -6.455 240 HD11 LEU 29 1HD1 LEU 29 -7.047 -2.224 -4.062 241 HD12 LEU 29 2HD1 LEU 29 -7.830 -2.113 -5.641 242 HD13 LEU 29 3HD1 LEU 29 -7.672 -0.675 -4.638 243 HD21 LEU 29 1HD2 LEU 29 -4.026 -0.190 -5.159 244 HD22 LEU 29 2HD2 LEU 29 -4.668 -1.070 -3.782 245 HD23 LEU 29 3HD2 LEU 29 -5.444 0.422 -4.317 246 H HIS 30 H HIS 30 -2.838 -4.891 -6.334 247 HA HIS 30 HA HIS 30 -3.707 -7.563 -5.970 248 HB2 HIS 30 2HB HIS 30 -5.437 -6.725 -7.676 249 HB3 HIS 30 1HB HIS 30 -4.123 -6.577 -8.836 250 HD1 HIS 30 HD1 HIS 30 -3.570 -8.680 -10.131 251 HD2 HIS 30 HD2 HIS 30 -5.840 -9.459 -6.743 252 HE1 HIS 30 HE1 HIS 30 -4.206 -11.101 -10.285 253 HE2 HIS 30 HE2 HIS 30 -5.760 -11.474 -8.347 254 H HIS 31 H HIS 31 -2.154 -5.641 -8.569 255 HA HIS 31 HA HIS 31 0.264 -7.367 -8.413 256 HB2 HIS 31 2HB HIS 31 -0.962 -7.805 -10.482 257 HB3 HIS 31 1HB HIS 31 -1.063 -6.087 -10.841 258 HD1 HIS 31 HD1 HIS 31 1.576 -8.788 -10.468 259 HD2 HIS 31 HD2 HIS 31 0.995 -5.179 -12.435 260 HE1 HIS 31 HE1 HIS 31 3.579 -8.482 -11.934 261 HE2 HIS 31 HE2 HIS 31 3.301 -6.200 -12.932 262 H LYS 32 H LYS 32 -0.966 -4.113 -8.377 263 HA LYS 32 HA LYS 32 1.742 -2.972 -8.799 264 HB2 LYS 32 2HB LYS 32 -0.098 -2.153 -10.285 265 HB3 LYS 32 1HB LYS 32 -0.985 -1.593 -8.870 266 HG2 LYS 32 2HG LYS 32 0.863 -0.005 -8.359 267 HG3 LYS 32 1HG LYS 32 1.726 -0.565 -9.789 268 HD2 LYS 32 2HD LYS 32 -1.019 0.749 -9.849 269 HD3 LYS 32 1HD LYS 32 0.499 1.597 -10.130 270 HE2 LYS 32 2HE LYS 32 0.936 0.154 -12.093 271 HE3 LYS 32 1HE LYS 32 -0.601 -0.675 -11.817 272 HZ1 LYS 32 1HZ LYS 32 -1.773 1.353 -12.231 273 HZ2 LYS 32 2HZ LYS 32 -0.712 1.089 -13.516 274 HZ3 LYS 32 3HZ LYS 32 -0.337 2.234 -12.335 275 H VAL 33 H VAL 33 2.593 -1.474 -7.301 276 HA VAL 33 HA VAL 33 1.450 -1.598 -4.577 277 HB VAL 33 HB VAL 33 3.746 -2.589 -4.797 278 HG11 VAL 33 1HG1 VAL 33 5.710 -1.139 -5.157 279 HG12 VAL 33 2HG1 VAL 33 4.648 0.218 -5.531 280 HG13 VAL 33 3HG1 VAL 33 4.674 -1.197 -6.581 281 HG21 VAL 33 1HG2 VAL 33 3.655 -0.068 -3.098 282 HG22 VAL 33 2HG2 VAL 33 4.754 -1.433 -2.868 283 HG23 VAL 33 3HG2 VAL 33 3.017 -1.651 -2.645 284 H TYR 34 H TYR 34 1.170 0.250 -3.445 285 HA TYR 34 HA TYR 34 1.346 2.837 -4.849 286 HB2 TYR 34 2HB TYR 34 -0.929 1.768 -3.106 287 HB3 TYR 34 1HB TYR 34 -0.829 3.423 -3.714 288 HD1 TYR 34 HD1 TYR 34 -1.293 -0.137 -4.729 289 HD2 TYR 34 HD2 TYR 34 -1.345 3.941 -6.014 290 HE1 TYR 34 HE1 TYR 34 -2.364 -0.809 -6.832 291 HE2 TYR 34 HE2 TYR 34 -2.419 3.260 -8.106 292 HH TYR 34 HH TYR 34 -3.762 0.182 -8.561 293 H ASP 35 H ASP 35 1.986 4.556 -3.679 294 HA ASP 35 HA ASP 35 3.531 4.097 -1.347 295 HB2 ASP 35 2HB ASP 35 4.199 5.794 -3.029 296 HB3 ASP 35 1HB ASP 35 2.762 6.743 -2.653 297 H LEU 36 H LEU 36 2.517 3.668 0.522 298 HA LEU 36 HA LEU 36 0.103 5.172 1.281 299 HB2 LEU 36 2HB LEU 36 0.581 2.490 1.448 300 HB3 LEU 36 1HB LEU 36 1.154 2.966 3.030 301 HG LEU 36 HG LEU 36 -1.181 2.192 3.110 302 HD11 LEU 36 1HD1 LEU 36 -2.224 4.028 4.298 303 HD12 LEU 36 2HD1 LEU 36 -1.058 5.169 3.623 304 HD13 LEU 36 3HD1 LEU 36 -0.521 3.905 4.733 305 HD21 LEU 36 1HD2 LEU 36 -2.987 3.353 1.992 306 HD22 LEU 36 2HD2 LEU 36 -1.807 2.812 0.805 307 HD23 LEU 36 3HD2 LEU 36 -1.856 4.507 1.281 308 H THR 37 H THR 37 3.471 4.920 1.836 309 HA THR 37 HA THR 37 4.045 5.809 4.336 310 HB THR 37 HB THR 37 5.366 6.603 1.703 311 HG1 THR 37 HG1 THR 37 5.372 4.320 3.272 312 HG21 THR 37 1HG2 THR 37 6.175 8.109 3.482 313 HG22 THR 37 2HG2 THR 37 7.440 6.974 3.008 314 HG23 THR 37 3HG2 THR 37 6.544 6.720 4.508 315 H LYS 38 H LYS 38 3.128 7.879 1.580 316 HA LYS 38 HA LYS 38 3.103 10.318 3.215 317 HB2 LYS 38 2HB LYS 38 3.825 9.864 0.593 318 HB3 LYS 38 1HB LYS 38 2.177 10.362 0.358 319 HG2 LYS 38 2HG LYS 38 4.371 12.006 1.639 320 HG3 LYS 38 1HG LYS 38 3.761 12.180 0.001 321 HD2 LYS 38 2HD LYS 38 2.569 13.893 0.981 322 HD3 LYS 38 1HD LYS 38 1.432 12.584 1.306 323 HE2 LYS 38 2HE LYS 38 2.455 12.339 3.577 324 HE3 LYS 38 1HE LYS 38 3.482 13.725 3.229 325 HZ1 LYS 38 1HZ LYS 38 1.501 15.077 2.972 326 HZ2 LYS 38 2HZ LYS 38 1.554 14.368 4.504 327 HZ3 LYS 38 3HZ LYS 38 0.519 13.748 3.322 328 H PHE 39 H PHE 39 0.912 7.966 1.777 329 HA PHE 39 HA PHE 39 -1.446 9.555 1.743 330 HB2 PHE 39 2HB PHE 39 -1.117 7.571 0.279 331 HB3 PHE 39 1HB PHE 39 -1.214 6.517 1.684 332 HD1 PHE 39 HD1 PHE 39 -3.347 5.671 2.366 333 HD2 PHE 39 HD2 PHE 39 -3.196 9.069 -0.230 334 HE1 PHE 39 HE1 PHE 39 -5.782 5.563 2.079 335 HE2 PHE 39 HE2 PHE 39 -5.635 8.952 -0.506 336 HZ PHE 39 HZ PHE 39 -6.924 7.201 0.649 337 H LEU 40 H LEU 40 0.053 7.679 4.306 338 HA LEU 40 HA LEU 40 -2.317 7.628 5.981 339 HB2 LEU 40 2HB LEU 40 -0.755 6.750 7.754 340 HB3 LEU 40 1HB LEU 40 -0.868 5.797 6.291 341 HG LEU 40 HG LEU 40 1.357 6.994 5.581 342 HD11 LEU 40 1HD1 LEU 40 2.851 7.667 7.366 343 HD12 LEU 40 2HD1 LEU 40 1.572 7.432 8.564 344 HD13 LEU 40 3HD1 LEU 40 1.418 8.693 7.340 345 HD21 LEU 40 1HD2 LEU 40 1.205 4.607 6.069 346 HD22 LEU 40 2HD2 LEU 40 1.398 4.926 7.796 347 HD23 LEU 40 3HD2 LEU 40 2.716 5.285 6.677 348 H GLU 41 H GLU 41 0.287 9.811 5.366 349 HA GLU 41 HA GLU 41 0.022 11.425 7.744 350 HB2 GLU 41 2HB GLU 41 1.351 11.945 5.058 351 HB3 GLU 41 1HB GLU 41 1.445 13.047 6.426 352 HG2 GLU 41 2HG GLU 41 2.454 10.187 6.467 353 HG3 GLU 41 1HG GLU 41 3.459 11.595 6.126 354 H GLU 42 H GLU 42 -1.725 11.115 4.800 355 HA GLU 42 HA GLU 42 -2.985 13.637 4.658 356 HB2 GLU 42 2HB GLU 42 -4.082 10.898 3.881 357 HB3 GLU 42 1HB GLU 42 -4.704 12.446 3.349 358 HG2 GLU 42 2HG GLU 42 -2.049 11.196 2.631 359 HG3 GLU 42 1HG GLU 42 -3.418 11.463 1.557 360 H PHE 43 H PHE 43 -3.464 10.823 6.658 361 HA PHE 43 HA PHE 43 -5.852 11.922 7.977 362 HB2 PHE 43 2HB PHE 43 -4.502 9.297 8.689 363 HB3 PHE 43 1HB PHE 43 -6.188 9.745 8.898 364 HD1 PHE 43 HD1 PHE 43 -7.293 10.457 6.444 365 HD2 PHE 43 HD2 PHE 43 -4.157 7.623 7.109 366 HE1 PHE 43 HE1 PHE 43 -7.803 9.373 4.304 367 HE2 PHE 43 HE2 PHE 43 -4.673 6.563 4.950 368 HZ PHE 43 HZ PHE 43 -6.493 7.446 3.557 369 HA PRO 44 HA PRO 44 -3.238 13.612 11.288 370 HB2 PRO 44 2HB PRO 44 -5.118 13.799 13.315 371 HB3 PRO 44 1HB PRO 44 -5.045 14.931 11.950 372 HG2 PRO 44 2HG PRO 44 -6.836 12.549 12.321 373 HG3 PRO 44 1HG PRO 44 -7.241 14.170 11.712 374 HD2 PRO 44 2HD PRO 44 -6.861 12.078 10.035 375 HD3 PRO 44 1HD PRO 44 -6.391 13.731 9.581 376 H GLY 45 H GLY 45 -1.858 11.817 11.524 377 HA2 GLY 45 2HA GLY 45 -0.788 10.139 12.676 378 HA3 GLY 45 1HA GLY 45 -2.002 10.279 13.944 379 H GLY 46 H GLY 46 -2.247 9.473 10.482 380 HA2 GLY 46 2HA GLY 46 -4.248 7.454 11.038 381 HA3 GLY 46 1HA GLY 46 -3.738 8.038 9.469 382 H GLU 47 H GLU 47 -0.881 7.251 10.903 383 HA GLU 47 HA GLU 47 -0.270 5.057 9.322 384 HB2 GLU 47 2HB GLU 47 1.460 6.384 10.490 385 HB3 GLU 47 1HB GLU 47 0.914 5.769 12.044 386 HG2 GLU 47 2HG GLU 47 1.495 3.400 10.964 387 HG3 GLU 47 1HG GLU 47 2.496 4.369 9.885 388 H GLU 48 H GLU 48 -1.490 5.078 12.641 389 HA GLU 48 HA GLU 48 -1.085 2.464 13.435 390 HB2 GLU 48 2HB GLU 48 -2.938 2.905 15.118 391 HB3 GLU 48 1HB GLU 48 -1.671 4.125 15.069 392 HG2 GLU 48 2HG GLU 48 -3.097 5.667 13.845 393 HG3 GLU 48 1HG GLU 48 -4.342 4.433 13.653 394 H VAL 49 H VAL 49 -3.949 3.756 11.750 395 HA VAL 49 HA VAL 49 -5.606 1.500 12.375 396 HB VAL 49 HB VAL 49 -6.472 3.830 12.138 397 HG11 VAL 49 1HG1 VAL 49 -6.881 4.826 9.924 398 HG12 VAL 49 2HG1 VAL 49 -6.003 3.497 9.165 399 HG13 VAL 49 3HG1 VAL 49 -5.159 4.608 10.243 400 HG21 VAL 49 1HG2 VAL 49 -8.053 1.952 12.011 401 HG22 VAL 49 2HG2 VAL 49 -7.818 1.850 10.265 402 HG23 VAL 49 3HG2 VAL 49 -8.579 3.279 10.969 403 H LEU 50 H LEU 50 -3.589 2.354 9.662 404 HA LEU 50 HA LEU 50 -4.766 0.281 7.890 405 HB2 LEU 50 2HB LEU 50 -3.504 1.651 6.088 406 HB3 LEU 50 1HB LEU 50 -4.934 2.347 6.825 407 HG LEU 50 HG LEU 50 -3.318 3.610 8.413 408 HD11 LEU 50 1HD1 LEU 50 -1.077 4.113 7.557 409 HD12 LEU 50 2HD1 LEU 50 -1.279 2.881 6.308 410 HD13 LEU 50 3HD1 LEU 50 -1.271 2.423 8.010 411 HD21 LEU 50 1HD2 LEU 50 -3.026 5.464 6.846 412 HD22 LEU 50 2HD2 LEU 50 -4.627 4.744 6.716 413 HD23 LEU 50 3HD2 LEU 50 -3.407 4.394 5.491 414 H ARG 51 H ARG 51 -2.007 1.030 9.730 415 HA ARG 51 HA ARG 51 0.181 0.013 8.403 416 HB2 ARG 51 2HB ARG 51 0.495 1.163 10.484 417 HB3 ARG 51 1HB ARG 51 -0.575 0.067 11.348 418 HG2 ARG 51 2HG ARG 51 1.113 -1.729 11.140 419 HG3 ARG 51 1HG ARG 51 2.189 -0.618 10.293 420 HD2 ARG 51 2HD ARG 51 2.587 0.668 12.236 421 HD3 ARG 51 1HD ARG 51 1.153 0.035 13.062 422 HE ARG 51 HE ARG 51 3.189 -1.927 12.407 423 HH11 ARG 51 1HH1 ARG 51 2.003 0.283 14.871 424 HH12 ARG 51 2HH1 ARG 51 2.756 -0.587 16.170 425 HH21 ARG 51 1HH2 ARG 51 4.059 -3.114 14.122 426 HH22 ARG 51 2HH2 ARG 51 3.922 -2.517 15.744 427 H GLU 52 H GLU 52 -2.299 -1.723 10.205 428 HA GLU 52 HA GLU 52 -1.046 -4.237 10.383 429 HB2 GLU 52 2HB GLU 52 -3.014 -3.373 11.751 430 HB3 GLU 52 1HB GLU 52 -4.041 -3.687 10.358 431 HG2 GLU 52 2HG GLU 52 -4.292 -5.529 11.872 432 HG3 GLU 52 1HG GLU 52 -3.363 -6.108 10.488 433 H GLN 53 H GLN 53 -3.270 -2.872 7.968 434 HA GLN 53 HA GLN 53 -3.479 -5.365 6.448 435 HB2 GLN 53 2HB GLN 53 -4.750 -2.640 5.951 436 HB3 GLN 53 1HB GLN 53 -5.093 -4.097 5.031 437 HG2 GLN 53 2HG GLN 53 -6.909 -3.813 6.535 438 HG3 GLN 53 1HG GLN 53 -5.944 -5.142 7.176 439 HE21 GLN 53 1HE2 GLN 53 -6.780 -4.859 9.269 440 HE22 GLN 53 2HE2 GLN 53 -6.348 -3.520 10.269 441 H ALA 54 H ALA 54 -1.470 -2.614 6.481 442 HA ALA 54 HA ALA 54 -0.713 -2.410 3.754 443 HB1 ALA 54 1HB ALA 54 1.337 -1.321 4.604 444 HB2 ALA 54 2HB ALA 54 0.949 -1.856 6.243 445 HB3 ALA 54 3HB ALA 54 -0.099 -0.699 5.422 446 H GLY 55 H GLY 55 0.862 -3.528 2.574 447 HA2 GLY 55 2HA GLY 55 2.199 -5.307 1.958 448 HA3 GLY 55 1HA GLY 55 2.486 -5.636 3.662 449 H GLY 56 H GLY 56 -0.715 -5.423 2.277 450 HA2 GLY 56 2HA GLY 56 -1.064 -8.274 1.847 451 HA3 GLY 56 1HA GLY 56 -1.911 -7.627 3.252 452 H ASP 57 H ASP 57 -3.372 -5.764 2.864 453 HA ASP 57 HA ASP 57 -4.874 -6.192 0.347 454 HB2 ASP 57 2HB ASP 57 -6.090 -7.072 2.279 455 HB3 ASP 57 1HB ASP 57 -5.875 -5.558 3.156 456 H ALA 58 H ALA 58 -5.977 -4.487 -0.577 457 HA ALA 58 HA ALA 58 -5.898 -1.795 0.510 458 HB1 ALA 58 1HB ALA 58 -5.022 -0.749 -1.490 459 HB2 ALA 58 2HB ALA 58 -4.854 -2.318 -2.283 460 HB3 ALA 58 3HB ALA 58 -3.854 -1.926 -0.885 461 H THR 59 H THR 59 -7.283 -4.240 -1.561 462 HA THR 59 HA THR 59 -9.092 -2.675 -3.069 463 HB THR 59 HB THR 59 -10.432 -4.853 -3.281 464 HG1 THR 59 HG1 THR 59 -9.219 -5.548 -1.122 465 HG21 THR 59 1HG2 THR 59 -8.710 -5.997 -4.624 466 HG22 THR 59 2HG2 THR 59 -7.461 -4.985 -3.896 467 HG23 THR 59 3HG2 THR 59 -8.700 -4.257 -4.923 468 H GLU 60 H GLU 60 -9.206 -3.720 0.237 469 HA GLU 60 HA GLU 60 -11.834 -2.391 0.577 470 HB2 GLU 60 2HB GLU 60 -10.354 -4.305 2.439 471 HB3 GLU 60 1HB GLU 60 -11.940 -3.599 2.746 472 HG2 GLU 60 2HG GLU 60 -12.908 -4.829 0.871 473 HG3 GLU 60 1HG GLU 60 -11.318 -5.418 0.392 474 H ASN 61 H ASN 61 -8.505 -2.658 1.849 475 HA ASN 61 HA ASN 61 -8.758 -0.954 4.054 476 HB2 ASN 61 2HB ASN 61 -6.930 -2.575 3.888 477 HB3 ASN 61 1HB ASN 61 -6.232 -1.703 2.523 478 HD21 ASN 61 1HD2 ASN 61 -4.339 -1.000 3.387 479 HD22 ASN 61 2HD2 ASN 61 -4.183 -0.030 4.797 480 H PHE 62 H PHE 62 -7.350 -0.233 0.840 481 HA PHE 62 HA PHE 62 -6.311 2.314 1.434 482 HB2 PHE 62 2HB PHE 62 -5.652 0.858 -0.500 483 HB3 PHE 62 1HB PHE 62 -7.182 1.224 -1.279 484 HD1 PHE 62 HD1 PHE 62 -4.080 2.880 0.036 485 HD2 PHE 62 HD2 PHE 62 -7.280 3.058 -2.791 486 HE1 PHE 62 HE1 PHE 62 -3.002 4.798 -1.066 487 HE2 PHE 62 HE2 PHE 62 -6.198 4.971 -3.875 488 HZ PHE 62 HZ PHE 62 -4.063 5.846 -3.024 489 H GLU 63 H GLU 63 -9.544 1.329 0.684 490 HA GLU 63 HA GLU 63 -10.542 4.095 0.428 491 HB2 GLU 63 2HB GLU 63 -11.224 2.411 -1.292 492 HB3 GLU 63 1HB GLU 63 -11.969 1.438 -0.026 493 HG2 GLU 63 2HG GLU 63 -13.538 3.325 0.451 494 HG3 GLU 63 1HG GLU 63 -12.814 4.233 -0.874 495 H ASP 64 H ASP 64 -10.418 1.363 2.617 496 HA ASP 64 HA ASP 64 -12.747 1.918 4.205 497 HB2 ASP 64 2HB ASP 64 -11.766 -0.337 4.183 498 HB3 ASP 64 1HB ASP 64 -10.239 0.276 4.804 499 H VAL 65 H VAL 65 -9.271 2.308 4.831 500 HA VAL 65 HA VAL 65 -9.680 4.223 6.976 501 HB VAL 65 HB VAL 65 -7.242 4.315 7.118 502 HG11 VAL 65 1HG1 VAL 65 -8.190 1.449 6.699 503 HG12 VAL 65 2HG1 VAL 65 -8.356 2.394 8.180 504 HG13 VAL 65 3HG1 VAL 65 -6.753 1.942 7.603 505 HG21 VAL 65 1HG2 VAL 65 -6.672 4.342 4.717 506 HG22 VAL 65 2HG2 VAL 65 -7.161 2.655 4.561 507 HG23 VAL 65 3HG2 VAL 65 -5.769 3.079 5.550 508 H GLY 66 H GLY 66 -9.259 4.253 3.551 509 HA2 GLY 66 2HA GLY 66 -8.144 6.858 3.185 510 HA3 GLY 66 1HA GLY 66 -8.868 5.833 1.960 511 H PHE 67 H PHE 67 -9.188 8.633 2.055 512 HA PHE 67 HA PHE 67 -11.650 9.463 3.197 513 HB2 PHE 67 2HB PHE 67 -10.204 10.597 0.777 514 HB3 PHE 67 1HB PHE 67 -11.483 11.404 1.670 515 HD1 PHE 67 HD1 PHE 67 -7.962 11.046 1.338 516 HD2 PHE 67 HD2 PHE 67 -11.022 11.825 4.233 517 HE1 PHE 67 HE1 PHE 67 -6.314 12.114 2.805 518 HE2 PHE 67 HE2 PHE 67 -9.351 12.889 5.692 519 HZ PHE 67 HZ PHE 67 -7.002 13.039 4.980 520 H SER 68 H SER 68 -13.537 10.224 1.887 521 HA SER 68 HA SER 68 -14.881 8.045 0.796 522 HB2 SER 68 2HB SER 68 -15.975 10.015 1.874 523 HB3 SER 68 1HB SER 68 -15.577 10.998 0.467 524 HG SER 68 HG SER 68 -17.552 10.337 -0.012 525 H THR 69 H THR 69 -13.887 11.000 -0.967 526 HA THR 69 HA THR 69 -13.940 9.542 -3.528 527 HB THR 69 HB THR 69 -13.707 11.858 -4.535 528 HG1 THR 69 HG1 THR 69 -12.843 13.135 -3.016 529 HG21 THR 69 1HG2 THR 69 -16.064 11.534 -2.636 530 HG22 THR 69 2HG2 THR 69 -15.953 10.830 -4.249 531 HG23 THR 69 3HG2 THR 69 -16.014 12.583 -4.056 532 H ASP 70 H ASP 70 -11.764 11.468 -1.448 533 HA ASP 70 HA ASP 70 -9.751 12.038 -3.272 534 HB2 ASP 70 2HB ASP 70 -9.496 11.719 -0.254 535 HB3 ASP 70 1HB ASP 70 -8.234 12.388 -1.282 536 H ALA 71 H ALA 71 -9.955 9.265 -1.046 537 HA ALA 71 HA ALA 71 -7.476 8.076 -1.409 538 HB1 ALA 71 1HB ALA 71 -8.552 5.962 -0.729 539 HB2 ALA 71 2HB ALA 71 -10.144 6.663 -1.042 540 HB3 ALA 71 3HB ALA 71 -9.131 7.311 0.250 541 H ARG 72 H ARG 72 -10.372 7.814 -3.372 542 HA ARG 72 HA ARG 72 -9.533 5.531 -4.889 543 HB2 ARG 72 2HB ARG 72 -11.801 7.433 -5.600 544 HB3 ARG 72 1HB ARG 72 -11.646 5.727 -6.019 545 HG2 ARG 72 2HG ARG 72 -11.921 5.136 -3.613 546 HG3 ARG 72 1HG ARG 72 -12.120 6.851 -3.234 547 HD2 ARG 72 2HD ARG 72 -14.315 5.939 -3.337 548 HD3 ARG 72 1HD ARG 72 -14.104 6.845 -4.838 549 HE ARG 72 HE ARG 72 -13.377 4.117 -5.196 550 HH11 ARG 72 1HH1 ARG 72 -16.251 6.124 -4.878 551 HH12 ARG 72 2HH1 ARG 72 -17.258 5.020 -5.759 552 HH21 ARG 72 1HH2 ARG 72 -14.707 2.701 -6.355 553 HH22 ARG 72 2HH2 ARG 72 -16.384 3.084 -6.595 554 H GLU 73 H GLU 73 -9.467 9.019 -5.351 555 HA GLU 73 HA GLU 73 -8.710 8.823 -8.196 556 HB2 GLU 73 2HB GLU 73 -9.077 11.263 -8.249 557 HB3 GLU 73 1HB GLU 73 -10.481 10.413 -7.614 558 HG2 GLU 73 2HG GLU 73 -9.692 10.994 -5.289 559 HG3 GLU 73 1HG GLU 73 -8.430 11.981 -6.022 560 H LEU 74 H LEU 74 -7.280 9.395 -5.099 561 HA LEU 74 HA LEU 74 -4.805 10.538 -6.139 562 HB2 LEU 74 2HB LEU 74 -5.868 9.899 -3.394 563 HB3 LEU 74 1HB LEU 74 -4.130 9.947 -3.586 564 HG LEU 74 HG LEU 74 -4.208 12.303 -4.271 565 HD11 LEU 74 1HD1 LEU 74 -7.208 12.213 -3.903 566 HD12 LEU 74 2HD1 LEU 74 -6.352 12.358 -5.438 567 HD13 LEU 74 3HD1 LEU 74 -6.234 13.648 -4.244 568 HD21 LEU 74 1HD2 LEU 74 -4.012 11.776 -1.878 569 HD22 LEU 74 2HD2 LEU 74 -5.770 11.839 -1.706 570 HD23 LEU 74 3HD2 LEU 74 -4.868 13.299 -2.128 571 H SER 75 H SER 75 -6.117 7.431 -5.986 572 HA SER 75 HA SER 75 -4.022 5.735 -5.304 573 HB2 SER 75 2HB SER 75 -6.376 5.032 -5.809 574 HB3 SER 75 1HB SER 75 -6.068 5.289 -7.524 575 HG SER 75 HG SER 75 -4.653 3.591 -7.511 576 H LYS 76 H LYS 76 -4.748 7.174 -8.482 577 HA LYS 76 HA LYS 76 -2.535 6.090 -9.906 578 HB2 LYS 76 2HB LYS 76 -3.174 7.654 -11.694 579 HB3 LYS 76 1HB LYS 76 -4.605 6.881 -11.017 580 HG2 LYS 76 2HG LYS 76 -4.997 8.953 -9.636 581 HG3 LYS 76 1HG LYS 76 -3.652 9.718 -10.490 582 HD2 LYS 76 2HD LYS 76 -4.867 9.399 -12.644 583 HD3 LYS 76 1HD LYS 76 -6.217 8.675 -11.766 584 HE2 LYS 76 2HE LYS 76 -6.755 10.985 -12.259 585 HE3 LYS 76 1HE LYS 76 -6.495 10.838 -10.521 586 HZ1 LYS 76 1HZ LYS 76 -5.402 12.791 -11.302 587 HZ2 LYS 76 2HZ LYS 76 -4.608 11.943 -12.524 588 HZ3 LYS 76 3HZ LYS 76 -4.203 11.665 -10.908 589 H LYS 77 H LYS 77 -2.805 8.762 -7.726 590 HA LYS 77 HA LYS 77 -0.561 10.314 -8.694 591 HB2 LYS 77 2HB LYS 77 -2.620 11.261 -7.505 592 HB3 LYS 77 1HB LYS 77 -2.018 10.561 -6.014 593 HG2 LYS 77 2HG LYS 77 -0.380 12.553 -7.611 594 HG3 LYS 77 1HG LYS 77 -1.609 13.079 -6.464 595 HD2 LYS 77 2HD LYS 77 -0.418 12.013 -4.618 596 HD3 LYS 77 1HD LYS 77 0.759 11.312 -5.730 597 HE2 LYS 77 2HE LYS 77 1.687 13.275 -4.575 598 HE3 LYS 77 1HE LYS 77 1.564 13.565 -6.312 599 HZ1 LYS 77 1HZ LYS 77 0.820 15.475 -5.048 600 HZ2 LYS 77 2HZ LYS 77 -0.338 14.540 -4.250 601 HZ3 LYS 77 3HZ LYS 77 -0.473 14.812 -5.908 602 H TYR 78 H TYR 78 -1.214 7.941 -6.136 603 HA TYR 78 HA TYR 78 1.525 8.105 -5.086 604 HB2 TYR 78 2HB TYR 78 -0.925 6.559 -4.124 605 HB3 TYR 78 1HB TYR 78 0.661 6.440 -3.366 606 HD1 TYR 78 HD1 TYR 78 -2.400 8.380 -3.543 607 HD2 TYR 78 HD2 TYR 78 1.692 8.558 -2.323 608 HE1 TYR 78 HE1 TYR 78 -2.891 10.345 -2.174 609 HE2 TYR 78 HE2 TYR 78 1.178 10.539 -0.961 610 HH TYR 78 HH TYR 78 -1.999 11.515 -0.233 611 H ILE 79 H ILE 79 1.486 7.275 -7.682 612 HA ILE 79 HA ILE 79 1.891 4.409 -7.787 613 HB ILE 79 HB ILE 79 1.091 5.399 -9.825 614 HG12 ILE 79 2HG1 ILE 79 2.820 4.720 -11.496 615 HG13 ILE 79 1HG1 ILE 79 4.041 4.706 -10.230 616 HG21 ILE 79 1HG2 ILE 79 3.455 7.302 -9.848 617 HG22 ILE 79 2HG2 ILE 79 1.773 7.727 -9.519 618 HG23 ILE 79 3HG2 ILE 79 2.238 7.150 -11.121 619 HD11 ILE 79 1HD1 ILE 79 3.294 2.463 -10.780 620 HD12 ILE 79 2HD1 ILE 79 1.632 2.894 -10.390 621 HD13 ILE 79 3HD1 ILE 79 2.858 2.860 -9.117 622 H ILE 80 H ILE 80 3.519 3.703 -6.552 623 HA ILE 80 HA ILE 80 6.139 5.095 -6.530 624 HB ILE 80 HB ILE 80 4.921 4.730 -4.330 625 HG12 ILE 80 2HG1 ILE 80 7.663 3.403 -4.527 626 HG13 ILE 80 1HG1 ILE 80 7.376 5.135 -4.424 627 HG21 ILE 80 1HG2 ILE 80 4.905 2.520 -3.281 628 HG22 ILE 80 2HG2 ILE 80 5.614 1.802 -4.728 629 HG23 ILE 80 3HG2 ILE 80 3.989 2.489 -4.792 630 HD11 ILE 80 1HD1 ILE 80 6.747 3.099 -2.289 631 HD12 ILE 80 2HD1 ILE 80 6.406 4.828 -2.194 632 HD13 ILE 80 3HD1 ILE 80 8.072 4.265 -2.293 633 H GLY 81 H GLY 81 4.570 2.530 -7.962 634 HA2 GLY 81 2HA GLY 81 6.308 1.589 -9.704 635 HA3 GLY 81 1HA GLY 81 6.910 0.776 -8.256 636 H GLU 82 H GLU 82 6.361 -1.257 -9.183 637 HA GLU 82 HA GLU 82 3.507 -1.944 -8.822 638 HB2 GLU 82 2HB GLU 82 3.731 -3.653 -10.616 639 HB3 GLU 82 1HB GLU 82 3.954 -2.012 -11.220 640 HG2 GLU 82 2HG GLU 82 6.369 -2.312 -11.310 641 HG3 GLU 82 1HG GLU 82 6.235 -3.910 -10.575 642 H LEU 83 H LEU 83 3.118 -3.914 -7.799 643 HA LEU 83 HA LEU 83 5.185 -4.951 -6.095 644 HB2 LEU 83 2HB LEU 83 2.628 -4.707 -5.605 645 HB3 LEU 83 1HB LEU 83 2.430 -6.197 -6.494 646 HG LEU 83 HG LEU 83 2.413 -6.487 -4.012 647 HD11 LEU 83 1HD1 LEU 83 4.785 -7.923 -5.199 648 HD12 LEU 83 2HD1 LEU 83 3.099 -8.400 -5.377 649 HD13 LEU 83 3HD1 LEU 83 3.842 -8.399 -3.781 650 HD21 LEU 83 1HD2 LEU 83 5.305 -5.608 -4.083 651 HD22 LEU 83 2HD2 LEU 83 4.427 -6.206 -2.678 652 HD23 LEU 83 3HD2 LEU 83 3.953 -4.686 -3.429 653 H HIS 84 H HIS 84 6.091 -6.960 -6.175 654 HA HIS 84 HA HIS 84 6.930 -7.977 -8.640 655 HB2 HIS 84 2HB HIS 84 8.149 -7.983 -6.402 656 HB3 HIS 84 1HB HIS 84 7.109 -9.302 -5.896 657 HD1 HIS 84 HD1 HIS 84 8.657 -11.267 -5.810 658 HD2 HIS 84 HD2 HIS 84 9.206 -8.963 -9.228 659 HE1 HIS 84 HE1 HIS 84 10.410 -12.456 -7.157 660 HE2 HIS 84 HE2 HIS 84 10.771 -11.008 -9.181 661 HA PRO 85 HA PRO 85 3.185 -10.252 -9.755 662 HB2 PRO 85 2HB PRO 85 4.634 -12.203 -11.356 663 HB3 PRO 85 1HB PRO 85 3.732 -10.783 -11.905 664 HG2 PRO 85 2HG PRO 85 6.635 -11.101 -11.491 665 HG3 PRO 85 1HG PRO 85 5.764 -9.967 -12.540 666 HD2 PRO 85 2HD PRO 85 7.011 -9.157 -10.272 667 HD3 PRO 85 1HD PRO 85 5.528 -8.374 -10.858 668 H ASP 86 H ASP 86 5.973 -12.138 -8.606 669 HA ASP 86 HA ASP 86 4.410 -14.499 -7.983 670 HB2 ASP 86 2HB ASP 86 6.815 -14.570 -8.732 671 HB3 ASP 86 1HB ASP 86 7.284 -13.816 -7.215 672 H ASP 87 H ASP 87 5.618 -11.671 -6.261 673 HA ASP 87 HA ASP 87 5.496 -12.813 -3.638 674 HB2 ASP 87 2HB ASP 87 6.376 -10.244 -4.789 675 HB3 ASP 87 1HB ASP 87 5.547 -10.009 -3.262 676 H ARG 88 H ARG 88 3.235 -10.911 -5.555 677 HA ARG 88 HA ARG 88 1.414 -10.300 -3.451 678 HB2 ARG 88 2HB ARG 88 -0.182 -9.774 -5.280 679 HB3 ARG 88 1HB ARG 88 1.385 -9.020 -5.509 680 HG2 ARG 88 2HG ARG 88 1.022 -9.738 -7.664 681 HG3 ARG 88 1HG ARG 88 1.821 -11.173 -7.033 682 HD2 ARG 88 2HD ARG 88 -0.432 -12.180 -6.597 683 HD3 ARG 88 1HD ARG 88 -1.175 -10.763 -7.342 684 HE ARG 88 HE ARG 88 0.656 -11.906 -9.153 685 HH11 ARG 88 1HH1 ARG 88 -2.433 -12.687 -7.648 686 HH12 ARG 88 2HH1 ARG 88 -2.976 -13.655 -8.980 687 HH21 ARG 88 1HH2 ARG 88 -0.118 -13.147 -10.920 688 HH22 ARG 88 2HH2 ARG 88 -1.668 -13.911 -10.822 689 H SER 89 H SER 89 2.001 -13.137 -5.304 690 HA SER 89 HA SER 89 -0.376 -14.577 -4.449 691 HB2 SER 89 2HB SER 89 0.500 -15.061 -6.660 692 HB3 SER 89 1HB SER 89 2.100 -15.417 -6.012 693 HG SER 89 HG SER 89 1.372 -17.302 -5.207 694 H LYS 90 H LYS 90 3.100 -14.400 -3.626 695 HA LYS 90 HA LYS 90 3.374 -16.563 -1.890 696 HB2 LYS 90 2HB LYS 90 4.732 -13.841 -1.908 697 HB3 LYS 90 1HB LYS 90 5.163 -15.070 -0.726 698 HG2 LYS 90 2HG LYS 90 5.968 -16.557 -2.453 699 HG3 LYS 90 1HG LYS 90 5.374 -15.479 -3.725 700 HD2 LYS 90 2HD LYS 90 7.849 -15.268 -3.355 701 HD3 LYS 90 1HD LYS 90 6.978 -13.758 -3.098 702 HE2 LYS 90 2HE LYS 90 7.029 -14.287 -0.598 703 HE3 LYS 90 1HE LYS 90 8.138 -15.604 -0.986 704 HZ1 LYS 90 1HZ LYS 90 9.343 -13.631 -0.336 705 HZ2 LYS 90 2HZ LYS 90 8.586 -12.716 -1.541 706 HZ3 LYS 90 3HZ LYS 90 9.642 -13.965 -1.966 707 H ILE 91 H ILE 91 2.721 -13.193 -0.997 708 HA ILE 91 HA ILE 91 1.834 -14.004 1.717 709 HB ILE 91 HB ILE 91 3.054 -11.343 0.785 710 HG12 ILE 91 2HG1 ILE 91 4.421 -13.677 2.213 711 HG13 ILE 91 1HG1 ILE 91 4.674 -13.208 0.540 712 HG21 ILE 91 1HG2 ILE 91 2.651 -12.366 3.625 713 HG22 ILE 91 2HG2 ILE 91 1.701 -11.099 2.847 714 HG23 ILE 91 3HG2 ILE 91 3.414 -10.838 3.168 715 HD11 ILE 91 1HD1 ILE 91 5.450 -11.630 2.988 716 HD12 ILE 91 2HD1 ILE 91 5.627 -11.068 1.322 717 HD13 ILE 91 3HD1 ILE 91 6.517 -12.485 1.875 718 H ALA 92 H ALA 92 0.152 -14.179 -0.491 719 HA ALA 92 HA ALA 92 -1.511 -12.033 -1.144 720 HB1 ALA 92 1HB ALA 92 -1.442 -14.174 -2.378 721 HB2 ALA 92 2HB ALA 92 -3.095 -13.770 -1.914 722 HB3 ALA 92 3HB ALA 92 -2.200 -14.995 -1.011 723 H LYS 93 H LYS 93 -1.840 -14.496 1.374 724 HA LYS 93 HA LYS 93 -3.163 -12.799 3.231 725 HB2 LYS 93 2HB LYS 93 -5.297 -14.185 3.411 726 HB3 LYS 93 1HB LYS 93 -5.186 -13.141 2.002 727 HG2 LYS 93 2HG LYS 93 -4.569 -15.111 0.603 728 HG3 LYS 93 1HG LYS 93 -4.742 -16.153 2.016 729 HD2 LYS 93 2HD LYS 93 -6.958 -14.501 0.729 730 HD3 LYS 93 1HD LYS 93 -6.752 -16.247 0.579 731 HE2 LYS 93 2HE LYS 93 -7.360 -14.743 3.152 732 HE3 LYS 93 1HE LYS 93 -8.501 -15.708 2.220 733 HZ1 LYS 93 1HZ LYS 93 -7.151 -17.665 2.673 734 HZ2 LYS 93 2HZ LYS 93 -7.659 -16.930 4.105 735 HZ3 LYS 93 3HZ LYS 93 -6.068 -16.737 3.578 736 HA PRO 94 HA PRO 94 -0.840 -16.396 5.046 737 HB2 PRO 94 2HB PRO 94 1.136 -15.074 6.291 738 HB3 PRO 94 1HB PRO 94 1.147 -15.203 4.515 739 HG2 PRO 94 2HG PRO 94 0.260 -12.890 6.221 740 HG3 PRO 94 1HG PRO 94 1.293 -12.883 4.774 741 HD2 PRO 94 2HD PRO 94 -1.430 -12.339 4.725 742 HD3 PRO 94 1HD PRO 94 -0.509 -12.938 3.326 743 H SER 95 H SER 95 -0.345 -16.880 7.352 744 HA SER 95 HA SER 95 -2.209 -15.590 9.263 745 HB2 SER 95 2HB SER 95 -2.383 -18.083 8.830 746 HB3 SER 95 1HB SER 95 -0.765 -18.270 9.506 747 HG SER 95 HG SER 95 -3.128 -17.387 10.804 748 H GLU 96 H GLU 96 -1.097 -16.073 11.648 749 HA GLU 96 HA GLU 96 0.880 -14.019 11.806 750 HB2 GLU 96 2HB GLU 96 -0.185 -15.869 13.983 751 HB3 GLU 96 1HB GLU 96 0.745 -14.395 14.259 752 HG2 GLU 96 2HG GLU 96 -1.071 -13.059 13.222 753 HG3 GLU 96 1HG GLU 96 -2.001 -14.532 12.959 754 H THR 97 H THR 97 0.993 -17.563 12.132 755 HA THR 97 HA THR 97 3.911 -17.484 12.587 756 HB THR 97 HB THR 97 2.535 -18.890 14.147 757 HG1 THR 97 HG1 THR 97 4.794 -19.343 13.586 758 HG21 THR 97 1HG2 THR 97 0.844 -19.793 12.576 759 HG22 THR 97 2HG2 THR 97 1.693 -21.090 13.415 760 HG23 THR 97 3HG2 THR 97 2.104 -20.707 11.743 761 H LEU 98 H LEU 98 1.492 -18.677 10.267 762 HA LEU 98 HA LEU 98 3.606 -19.127 8.253 763 HB2 LEU 98 2HB LEU 98 1.370 -21.080 8.963 764 HB3 LEU 98 1HB LEU 98 2.290 -21.186 7.473 765 HG LEU 98 HG LEU 98 3.488 -21.454 10.264 766 HD11 LEU 98 1HD1 LEU 98 3.688 -23.852 9.799 767 HD12 LEU 98 2HD1 LEU 98 2.832 -23.642 8.267 768 HD13 LEU 98 3HD1 LEU 98 2.002 -23.334 9.795 769 HD21 LEU 98 1HD2 LEU 98 4.746 -21.917 7.532 770 HD22 LEU 98 2HD2 LEU 98 5.509 -22.260 9.087 771 HD23 LEU 98 3HD2 LEU 98 5.115 -20.601 8.650 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 12.165 -7.721 -10.039 2 H2 ALA 1 2H ALA 1 13.386 -8.781 -9.554 3 H3 ALA 1 3H ALA 1 13.677 -7.652 -10.771 4 HA ALA 1 HA ALA 1 13.025 -6.965 -7.986 5 HB1 ALA 1 1HB ALA 1 15.223 -8.074 -8.107 6 HB2 ALA 1 2HB ALA 1 15.412 -6.358 -7.741 7 HB3 ALA 1 3HB ALA 1 15.730 -6.952 -9.373 8 H GLU 2 H GLU 2 13.919 -4.680 -7.611 9 HA GLU 2 HA GLU 2 12.482 -2.741 -8.920 10 HB2 GLU 2 2HB GLU 2 15.131 -2.413 -7.436 11 HB3 GLU 2 1HB GLU 2 14.049 -1.084 -7.838 12 HG2 GLU 2 2HG GLU 2 13.100 -3.399 -6.150 13 HG3 GLU 2 1HG GLU 2 14.009 -2.081 -5.438 14 H GLN 3 H GLN 3 12.677 -1.663 -10.818 15 HA GLN 3 HA GLN 3 15.068 -2.021 -12.510 16 HB2 GLN 3 2HB GLN 3 12.345 -0.796 -13.131 17 HB3 GLN 3 1HB GLN 3 13.635 -1.058 -14.298 18 HG2 GLN 3 2HG GLN 3 12.255 -3.269 -12.756 19 HG3 GLN 3 1HG GLN 3 11.806 -2.764 -14.382 20 HE21 GLN 3 1HE2 GLN 3 12.826 -5.360 -13.306 21 HE22 GLN 3 2HE2 GLN 3 14.192 -5.735 -14.296 22 H SER 4 H SER 4 16.606 -0.460 -12.487 23 HA SER 4 HA SER 4 16.126 2.125 -11.210 24 HB2 SER 4 2HB SER 4 18.655 2.372 -11.556 25 HB3 SER 4 1HB SER 4 18.165 0.979 -10.586 26 HG SER 4 HG SER 4 19.548 1.022 -12.897 27 H ASP 5 H ASP 5 17.200 0.919 -14.373 28 HA ASP 5 HA ASP 5 17.364 3.541 -15.585 29 HB2 ASP 5 2HB ASP 5 17.401 0.800 -16.938 30 HB3 ASP 5 1HB ASP 5 17.932 2.324 -17.644 31 H LYS 6 H LYS 6 15.212 0.739 -15.861 32 HA LYS 6 HA LYS 6 13.239 2.016 -17.520 33 HB2 LYS 6 2HB LYS 6 13.523 -0.401 -17.595 34 HB3 LYS 6 1HB LYS 6 13.202 -0.556 -15.873 35 HG2 LYS 6 2HG LYS 6 10.865 0.067 -16.195 36 HG3 LYS 6 1HG LYS 6 11.145 0.414 -17.901 37 HD2 LYS 6 2HD LYS 6 11.360 -2.317 -16.576 38 HD3 LYS 6 1HD LYS 6 10.033 -1.768 -17.600 39 HE2 LYS 6 2HE LYS 6 12.910 -2.206 -18.466 40 HE3 LYS 6 1HE LYS 6 11.524 -3.214 -18.873 41 HZ1 LYS 6 1HZ LYS 6 12.045 -1.788 -20.707 42 HZ2 LYS 6 2HZ LYS 6 11.967 -0.409 -19.735 43 HZ3 LYS 6 3HZ LYS 6 10.567 -1.296 -20.048 44 H ASP 7 H ASP 7 11.292 2.907 -16.888 45 HA ASP 7 HA ASP 7 11.281 4.505 -14.601 46 HB2 ASP 7 2HB ASP 7 10.145 5.103 -16.694 47 HB3 ASP 7 1HB ASP 7 9.013 3.773 -16.502 48 H VAL 8 H VAL 8 9.320 1.587 -15.306 49 HA VAL 8 HA VAL 8 7.825 1.828 -12.870 50 HB VAL 8 HB VAL 8 6.816 0.878 -14.919 51 HG11 VAL 8 1HG1 VAL 8 8.688 -0.427 -15.804 52 HG12 VAL 8 2HG1 VAL 8 7.255 -1.436 -15.616 53 HG13 VAL 8 3HG1 VAL 8 8.572 -1.553 -14.447 54 HG21 VAL 8 1HG2 VAL 8 5.774 0.440 -12.756 55 HG22 VAL 8 2HG2 VAL 8 6.783 -0.989 -12.524 56 HG23 VAL 8 3HG2 VAL 8 5.578 -0.961 -13.813 57 H LYS 9 H LYS 9 8.266 1.026 -10.956 58 HA LYS 9 HA LYS 9 10.718 -0.501 -10.448 59 HB2 LYS 9 2HB LYS 9 8.789 0.972 -8.599 60 HB3 LYS 9 1HB LYS 9 10.236 0.128 -8.051 61 HG2 LYS 9 2HG LYS 9 11.674 1.661 -9.285 62 HG3 LYS 9 1HG LYS 9 10.271 2.437 -10.024 63 HD2 LYS 9 2HD LYS 9 11.240 3.789 -8.182 64 HD3 LYS 9 1HD LYS 9 9.564 3.334 -7.872 65 HE2 LYS 9 2HE LYS 9 10.978 3.145 -5.855 66 HE3 LYS 9 1HE LYS 9 10.300 1.588 -6.328 67 HZ1 LYS 9 1HZ LYS 9 12.450 1.084 -7.398 68 HZ2 LYS 9 2HZ LYS 9 12.589 1.318 -5.732 69 HZ3 LYS 9 3HZ LYS 9 13.077 2.536 -6.800 70 H TYR 10 H TYR 10 10.707 -2.557 -9.528 71 HA TYR 10 HA TYR 10 8.096 -3.966 -9.443 72 HB2 TYR 10 2HB TYR 10 10.924 -4.983 -9.928 73 HB3 TYR 10 1HB TYR 10 9.589 -6.060 -9.562 74 HD1 TYR 10 HD1 TYR 10 9.129 -7.292 -11.462 75 HD2 TYR 10 HD2 TYR 10 9.815 -3.100 -11.920 76 HE1 TYR 10 HE1 TYR 10 8.594 -7.469 -13.838 77 HE2 TYR 10 HE2 TYR 10 9.272 -3.285 -14.322 78 HH TYR 10 HH TYR 10 7.832 -6.036 -15.683 79 H TYR 11 H TYR 11 7.490 -3.409 -7.327 80 HA TYR 11 HA TYR 11 9.230 -3.945 -5.080 81 HB2 TYR 11 2HB TYR 11 6.388 -2.954 -5.359 82 HB3 TYR 11 1HB TYR 11 6.883 -3.634 -3.818 83 HD1 TYR 11 HD1 TYR 11 7.632 -0.902 -6.248 84 HD2 TYR 11 HD2 TYR 11 8.238 -2.408 -2.293 85 HE1 TYR 11 HE1 TYR 11 8.658 1.226 -5.593 86 HE2 TYR 11 HE2 TYR 11 9.266 -0.277 -1.641 87 HH TYR 11 HH TYR 11 10.385 1.613 -2.669 88 H THR 12 H THR 12 9.350 -5.761 -3.938 89 HA THR 12 HA THR 12 7.466 -7.982 -4.485 90 HB THR 12 HB THR 12 9.029 -9.400 -3.158 91 HG1 THR 12 HG1 THR 12 10.130 -6.957 -2.565 92 HG21 THR 12 1HG2 THR 12 10.941 -9.437 -4.710 93 HG22 THR 12 2HG2 THR 12 10.480 -7.852 -5.334 94 HG23 THR 12 3HG2 THR 12 9.425 -9.244 -5.591 95 H LEU 13 H LEU 13 6.133 -8.717 -2.879 96 HA LEU 13 HA LEU 13 5.232 -6.906 -0.926 97 HB2 LEU 13 2HB LEU 13 4.003 -8.848 -2.222 98 HB3 LEU 13 1HB LEU 13 4.507 -9.847 -0.871 99 HG LEU 13 HG LEU 13 3.165 -8.511 0.688 100 HD11 LEU 13 1HD1 LEU 13 1.791 -6.620 -0.082 101 HD12 LEU 13 2HD1 LEU 13 2.555 -6.703 -1.669 102 HD13 LEU 13 3HD1 LEU 13 3.514 -6.290 -0.245 103 HD21 LEU 13 1HD2 LEU 13 1.563 -9.107 -1.823 104 HD22 LEU 13 2HD2 LEU 13 0.910 -8.921 -0.192 105 HD23 LEU 13 3HD2 LEU 13 1.976 -10.274 -0.563 106 H GLU 14 H GLU 14 7.627 -9.335 -0.878 107 HA GLU 14 HA GLU 14 7.839 -9.881 1.893 108 HB2 GLU 14 2HB GLU 14 8.745 -11.257 -0.016 109 HB3 GLU 14 1HB GLU 14 9.988 -10.034 -0.257 110 HG2 GLU 14 2HG GLU 14 10.888 -10.488 1.984 111 HG3 GLU 14 1HG GLU 14 9.612 -11.678 2.268 112 H GLU 15 H GLU 15 9.246 -7.338 -0.200 113 HA GLU 15 HA GLU 15 10.932 -6.196 1.819 114 HB2 GLU 15 2HB GLU 15 9.752 -4.897 -0.667 115 HB3 GLU 15 1HB GLU 15 10.939 -4.135 0.379 116 HG2 GLU 15 2HG GLU 15 11.316 -6.564 -1.362 117 HG3 GLU 15 1HG GLU 15 12.081 -4.990 -1.537 118 H ILE 16 H ILE 16 7.577 -5.739 0.873 119 HA ILE 16 HA ILE 16 7.137 -3.421 2.540 120 HB ILE 16 HB ILE 16 4.955 -5.165 1.302 121 HG12 ILE 16 2HG1 ILE 16 6.481 -2.903 -0.090 122 HG13 ILE 16 1HG1 ILE 16 6.616 -4.610 -0.489 123 HG21 ILE 16 1HG2 ILE 16 5.070 -2.199 1.973 124 HG22 ILE 16 2HG2 ILE 16 4.239 -3.439 2.914 125 HG23 ILE 16 3HG2 ILE 16 3.682 -3.044 1.288 126 HD11 ILE 16 1HD1 ILE 16 5.205 -3.459 -2.070 127 HD12 ILE 16 2HD1 ILE 16 4.137 -2.926 -0.772 128 HD13 ILE 16 3HD1 ILE 16 4.270 -4.643 -1.158 129 H GLN 17 H GLN 17 6.968 -6.859 2.856 130 HA GLN 17 HA GLN 17 5.308 -7.239 5.099 131 HB2 GLN 17 2HB GLN 17 6.091 -9.070 3.636 132 HB3 GLN 17 1HB GLN 17 7.748 -8.820 4.166 133 HG2 GLN 17 2HG GLN 17 7.124 -9.544 6.446 134 HG3 GLN 17 1HG GLN 17 5.456 -9.774 5.907 135 HE21 GLN 17 1HE2 GLN 17 4.963 -11.562 4.602 136 HE22 GLN 17 2HE2 GLN 17 6.063 -12.868 4.361 137 H LYS 18 H LYS 18 8.444 -5.838 4.792 138 HA LYS 18 HA LYS 18 9.260 -6.034 7.570 139 HB2 LYS 18 2HB LYS 18 10.370 -4.215 5.388 140 HB3 LYS 18 1HB LYS 18 11.192 -4.743 6.855 141 HG2 LYS 18 2HG LYS 18 11.185 -7.085 5.984 142 HG3 LYS 18 1HG LYS 18 10.425 -6.505 4.501 143 HD2 LYS 18 2HD LYS 18 12.460 -4.973 4.204 144 HD3 LYS 18 1HD LYS 18 13.213 -5.861 5.531 145 HE2 LYS 18 2HE LYS 18 12.348 -6.979 2.845 146 HE3 LYS 18 1HE LYS 18 13.997 -6.767 3.428 147 HZ1 LYS 18 1HZ LYS 18 13.363 -9.048 3.616 148 HZ2 LYS 18 2HZ LYS 18 11.976 -8.653 4.498 149 HZ3 LYS 18 3HZ LYS 18 13.503 -8.402 5.172 150 H HIS 19 H HIS 19 6.623 -4.675 6.876 151 HA HIS 19 HA HIS 19 6.861 -1.867 7.308 152 HB2 HIS 19 2HB HIS 19 4.350 -1.931 7.454 153 HB3 HIS 19 1HB HIS 19 4.993 -2.716 6.018 154 HD1 HIS 19 HD1 HIS 19 4.936 -5.423 6.087 155 HD2 HIS 19 HD2 HIS 19 2.675 -3.518 8.984 156 HE1 HIS 19 HE1 HIS 19 3.415 -7.190 7.016 157 HE2 HIS 19 HE2 HIS 19 2.186 -6.033 8.870 158 H LYS 20 H LYS 20 8.140 -1.764 9.244 159 HA LYS 20 HA LYS 20 6.472 -1.974 11.718 160 HB2 LYS 20 2HB LYS 20 9.509 -2.000 11.409 161 HB3 LYS 20 1HB LYS 20 8.716 -1.683 12.946 162 HG2 LYS 20 2HG LYS 20 9.313 -3.967 13.017 163 HG3 LYS 20 1HG LYS 20 7.578 -3.953 12.719 164 HD2 LYS 20 2HD LYS 20 8.377 -5.629 11.278 165 HD3 LYS 20 1HD LYS 20 8.216 -4.238 10.208 166 HE2 LYS 20 2HE LYS 20 10.818 -5.166 11.487 167 HE3 LYS 20 1HE LYS 20 10.307 -5.539 9.842 168 HZ1 LYS 20 1HZ LYS 20 10.367 -3.179 9.324 169 HZ2 LYS 20 2HZ LYS 20 11.865 -3.697 9.904 170 HZ3 LYS 20 3HZ LYS 20 10.837 -2.815 10.902 171 H ASP 21 H ASP 21 8.273 0.081 9.596 172 HA ASP 21 HA ASP 21 7.618 2.499 11.173 173 HB2 ASP 21 2HB ASP 21 9.663 2.014 8.958 174 HB3 ASP 21 1HB ASP 21 9.288 3.610 9.598 175 H SER 22 H SER 22 6.767 4.301 10.033 176 HA SER 22 HA SER 22 4.693 3.812 8.191 177 HB2 SER 22 2HB SER 22 5.981 6.499 8.849 178 HB3 SER 22 1HB SER 22 4.352 6.229 8.217 179 HG SER 22 HG SER 22 4.625 6.578 10.574 180 H LYS 23 H LYS 23 8.037 4.744 7.791 181 HA LYS 23 HA LYS 23 7.848 5.513 5.033 182 HB2 LYS 23 2HB LYS 23 10.396 5.483 5.142 183 HB3 LYS 23 1HB LYS 23 9.563 6.579 6.232 184 HG2 LYS 23 2HG LYS 23 11.324 5.669 7.516 185 HG3 LYS 23 1HG LYS 23 9.880 4.821 8.060 186 HD2 LYS 23 2HD LYS 23 11.716 3.246 7.870 187 HD3 LYS 23 1HD LYS 23 10.514 2.882 6.630 188 HE2 LYS 23 2HE LYS 23 12.765 2.699 5.713 189 HE3 LYS 23 1HE LYS 23 11.937 4.056 4.953 190 HZ1 LYS 23 1HZ LYS 23 13.113 5.546 6.448 191 HZ2 LYS 23 2HZ LYS 23 14.207 4.612 5.557 192 HZ3 LYS 23 3HZ LYS 23 13.894 4.239 7.175 193 H SER 24 H SER 24 8.044 2.484 6.605 194 HA SER 24 HA SER 24 8.686 1.065 4.076 195 HB2 SER 24 2HB SER 24 8.591 0.047 6.959 196 HB3 SER 24 1HB SER 24 9.046 -0.916 5.553 197 HG SER 24 HG SER 24 10.576 1.163 5.407 198 H THR 25 H THR 25 6.098 2.430 4.776 199 HA THR 25 HA THR 25 4.239 0.135 4.967 200 HB THR 25 HB THR 25 3.794 3.101 5.529 201 HG1 THR 25 HG1 THR 25 4.938 1.590 7.074 202 HG21 THR 25 1HG2 THR 25 1.804 0.824 5.860 203 HG22 THR 25 2HG2 THR 25 1.720 2.070 4.618 204 HG23 THR 25 3HG2 THR 25 1.547 2.506 6.318 205 H TRP 26 H TRP 26 3.844 -0.524 2.925 206 HA TRP 26 HA TRP 26 2.696 1.402 0.990 207 HB2 TRP 26 2HB TRP 26 4.478 -0.990 0.254 208 HB3 TRP 26 1HB TRP 26 3.711 0.113 -0.882 209 HD1 TRP 26 HD TRP 26 4.644 2.793 -0.606 210 HE1 TRP 26 HE1 TRP 26 7.045 3.600 -0.281 211 HE3 TRP 26 HE3 TRP 26 6.692 -1.531 1.168 212 HZ2 TRP 26 HZ2 TRP 26 9.509 2.540 0.598 213 HZ3 TRP 26 HZ3 TRP 26 9.086 -1.561 1.732 214 HH2 TRP 26 HH TRP 26 10.466 0.436 1.452 215 H VAL 27 H VAL 27 1.020 0.403 -0.316 216 HA VAL 27 HA VAL 27 -0.034 -2.197 0.703 217 HB VAL 27 HB VAL 27 -2.342 -1.333 0.167 218 HG11 VAL 27 1HG1 VAL 27 -1.601 -1.410 2.487 219 HG12 VAL 27 2HG1 VAL 27 -2.614 0.010 2.226 220 HG13 VAL 27 3HG1 VAL 27 -0.861 0.186 2.340 221 HG21 VAL 27 1HG2 VAL 27 -0.970 1.381 -0.042 222 HG22 VAL 27 2HG2 VAL 27 -2.713 1.093 -0.082 223 HG23 VAL 27 3HG2 VAL 27 -1.692 0.479 -1.381 224 H ILE 28 H ILE 28 -1.488 -3.265 -0.922 225 HA ILE 28 HA ILE 28 -0.635 -2.694 -3.700 226 HB ILE 28 HB ILE 28 -0.274 -5.063 -4.154 227 HG12 ILE 28 2HG1 ILE 28 -0.074 -6.546 -1.823 228 HG13 ILE 28 1HG1 ILE 28 -1.438 -5.522 -1.417 229 HG21 ILE 28 1HG2 ILE 28 1.635 -3.777 -3.386 230 HG22 ILE 28 2HG2 ILE 28 1.757 -5.419 -2.765 231 HG23 ILE 28 3HG2 ILE 28 1.240 -4.118 -1.698 232 HD11 ILE 28 1HD1 ILE 28 -1.265 -7.357 -3.801 233 HD12 ILE 28 2HD1 ILE 28 -2.660 -6.368 -3.360 234 HD13 ILE 28 3HD1 ILE 28 -2.133 -7.677 -2.301 235 H LEU 29 H LEU 29 -2.238 -2.674 -5.122 236 HA LEU 29 HA LEU 29 -4.904 -2.638 -4.264 237 HB2 LEU 29 2HB LEU 29 -3.548 -1.717 -6.497 238 HB3 LEU 29 1HB LEU 29 -4.441 -3.052 -7.189 239 HG LEU 29 HG LEU 29 -5.628 -0.905 -7.466 240 HD11 LEU 29 1HD1 LEU 29 -6.997 -2.936 -7.322 241 HD12 LEU 29 2HD1 LEU 29 -7.853 -1.550 -6.653 242 HD13 LEU 29 3HD1 LEU 29 -7.124 -2.744 -5.571 243 HD21 LEU 29 1HD2 LEU 29 -6.540 0.349 -5.564 244 HD22 LEU 29 2HD2 LEU 29 -4.784 0.255 -5.457 245 HD23 LEU 29 3HD2 LEU 29 -5.782 -0.777 -4.433 246 H HIS 30 H HIS 30 -3.058 -5.013 -6.137 247 HA HIS 30 HA HIS 30 -4.257 -7.285 -5.004 248 HB2 HIS 30 2HB HIS 30 -6.248 -6.611 -6.374 249 HB3 HIS 30 1HB HIS 30 -5.271 -6.701 -7.835 250 HD1 HIS 30 HD1 HIS 30 -5.605 -8.829 -9.063 251 HD2 HIS 30 HD2 HIS 30 -6.186 -9.324 -4.981 252 HE1 HIS 30 HE1 HIS 30 -6.221 -11.240 -8.765 253 HE2 HIS 30 HE2 HIS 30 -6.593 -11.507 -6.294 254 H HIS 31 H HIS 31 -2.747 -5.920 -7.871 255 HA HIS 31 HA HIS 31 -0.639 -7.990 -7.844 256 HB2 HIS 31 2HB HIS 31 -2.463 -8.424 -9.594 257 HB3 HIS 31 1HB HIS 31 -1.931 -6.967 -10.413 258 HD1 HIS 31 HD1 HIS 31 0.569 -7.065 -11.423 259 HD2 HIS 31 HD2 HIS 31 -0.999 -10.689 -10.146 260 HE1 HIS 31 HE1 HIS 31 1.998 -8.836 -12.474 261 HE2 HIS 31 HE2 HIS 31 0.865 -10.987 -11.886 262 H LYS 32 H LYS 32 -1.551 -4.682 -8.097 263 HA LYS 32 HA LYS 32 1.181 -3.828 -8.895 264 HB2 LYS 32 2HB LYS 32 -0.821 -3.026 -10.250 265 HB3 LYS 32 1HB LYS 32 -1.401 -2.200 -8.810 266 HG2 LYS 32 2HG LYS 32 0.821 -0.927 -8.804 267 HG3 LYS 32 1HG LYS 32 1.112 -1.614 -10.402 268 HD2 LYS 32 2HD LYS 32 -1.191 0.188 -9.607 269 HD3 LYS 32 1HD LYS 32 0.202 0.646 -10.572 270 HE2 LYS 32 2HE LYS 32 -0.523 -0.780 -12.394 271 HE3 LYS 32 1HE LYS 32 -1.855 -1.418 -11.416 272 HZ1 LYS 32 1HZ LYS 32 -2.560 0.335 -12.961 273 HZ2 LYS 32 2HZ LYS 32 -1.536 1.432 -12.197 274 HZ3 LYS 32 3HZ LYS 32 -2.838 0.774 -11.355 275 H VAL 33 H VAL 33 2.139 -2.069 -7.586 276 HA VAL 33 HA VAL 33 1.168 -2.031 -4.780 277 HB VAL 33 HB VAL 33 3.492 -2.996 -5.156 278 HG11 VAL 33 1HG1 VAL 33 5.374 -1.476 -5.599 279 HG12 VAL 33 2HG1 VAL 33 4.247 -0.148 -5.876 280 HG13 VAL 33 3HG1 VAL 33 4.261 -1.535 -6.966 281 HG21 VAL 33 1HG2 VAL 33 3.357 -0.493 -3.441 282 HG22 VAL 33 2HG2 VAL 33 4.549 -1.789 -3.278 283 HG23 VAL 33 3HG2 VAL 33 2.842 -2.113 -2.969 284 H TYR 34 H TYR 34 0.971 -0.090 -3.742 285 HA TYR 34 HA TYR 34 1.466 2.447 -5.146 286 HB2 TYR 34 2HB TYR 34 -1.077 1.662 -3.640 287 HB3 TYR 34 1HB TYR 34 -0.678 3.325 -4.071 288 HD1 TYR 34 HD1 TYR 34 -2.443 0.449 -5.141 289 HD2 TYR 34 HD2 TYR 34 -0.120 3.708 -6.637 290 HE1 TYR 34 HE1 TYR 34 -3.494 0.196 -7.357 291 HE2 TYR 34 HE2 TYR 34 -1.161 3.456 -8.837 292 HH TYR 34 HH TYR 34 -3.933 1.612 -9.366 293 H ASP 35 H ASP 35 1.968 4.147 -3.817 294 HA ASP 35 HA ASP 35 3.431 3.483 -1.472 295 HB2 ASP 35 2HB ASP 35 4.285 5.176 -3.055 296 HB3 ASP 35 1HB ASP 35 2.889 6.200 -2.747 297 H LEU 36 H LEU 36 2.681 3.447 0.519 298 HA LEU 36 HA LEU 36 0.168 4.854 1.212 299 HB2 LEU 36 2HB LEU 36 0.565 2.240 1.418 300 HB3 LEU 36 1HB LEU 36 1.433 2.659 2.874 301 HG LEU 36 HG LEU 36 -0.870 1.920 3.351 302 HD11 LEU 36 1HD1 LEU 36 -0.592 4.861 3.969 303 HD12 LEU 36 2HD1 LEU 36 0.146 3.543 4.875 304 HD13 LEU 36 3HD1 LEU 36 -1.601 3.681 4.807 305 HD21 LEU 36 1HD2 LEU 36 -1.955 2.624 1.277 306 HD22 LEU 36 2HD2 LEU 36 -1.801 4.315 1.745 307 HD23 LEU 36 3HD2 LEU 36 -2.824 3.225 2.683 308 H THR 37 H THR 37 3.575 4.710 1.715 309 HA THR 37 HA THR 37 4.156 5.562 4.236 310 HB THR 37 HB THR 37 5.468 6.316 1.592 311 HG1 THR 37 HG1 THR 37 5.348 4.041 2.486 312 HG21 THR 37 1HG2 THR 37 6.205 7.978 3.260 313 HG22 THR 37 2HG2 THR 37 7.523 6.880 2.864 314 HG23 THR 37 3HG2 THR 37 6.644 6.683 4.380 315 H LYS 38 H LYS 38 3.261 7.604 1.487 316 HA LYS 38 HA LYS 38 3.333 10.082 3.014 317 HB2 LYS 38 2HB LYS 38 4.160 9.902 0.656 318 HB3 LYS 38 1HB LYS 38 2.537 9.496 0.126 319 HG2 LYS 38 2HG LYS 38 3.046 11.778 -0.425 320 HG3 LYS 38 1HG LYS 38 1.759 11.738 0.770 321 HD2 LYS 38 2HD LYS 38 4.546 12.060 1.840 322 HD3 LYS 38 1HD LYS 38 3.909 13.414 0.910 323 HE2 LYS 38 2HE LYS 38 2.670 12.188 3.390 324 HE3 LYS 38 1HE LYS 38 3.440 13.767 3.265 325 HZ1 LYS 38 1HZ LYS 38 1.695 14.415 1.685 326 HZ2 LYS 38 2HZ LYS 38 1.063 14.012 3.197 327 HZ3 LYS 38 3HZ LYS 38 0.929 12.926 1.916 328 H PHE 39 H PHE 39 0.963 7.851 1.648 329 HA PHE 39 HA PHE 39 -1.335 9.470 1.704 330 HB2 PHE 39 2HB PHE 39 -1.108 7.417 0.350 331 HB3 PHE 39 1HB PHE 39 -1.109 6.435 1.810 332 HD1 PHE 39 HD1 PHE 39 -3.256 8.959 0.007 333 HD2 PHE 39 HD2 PHE 39 -3.169 5.495 2.511 334 HE1 PHE 39 HE1 PHE 39 -5.704 8.746 -0.163 335 HE2 PHE 39 HE2 PHE 39 -5.610 5.296 2.325 336 HZ PHE 39 HZ PHE 39 -6.877 6.928 0.988 337 H LEU 40 H LEU 40 0.154 7.585 4.277 338 HA LEU 40 HA LEU 40 -2.153 7.594 5.998 339 HB2 LEU 40 2HB LEU 40 -0.607 6.711 7.726 340 HB3 LEU 40 1HB LEU 40 -0.630 5.803 6.234 341 HG LEU 40 HG LEU 40 1.591 7.111 5.654 342 HD11 LEU 40 1HD1 LEU 40 2.967 7.730 7.585 343 HD12 LEU 40 2HD1 LEU 40 1.602 7.436 8.667 344 HD13 LEU 40 3HD1 LEU 40 1.521 8.737 7.480 345 HD21 LEU 40 1HD2 LEU 40 2.958 5.398 6.752 346 HD22 LEU 40 2HD2 LEU 40 1.501 4.693 6.056 347 HD23 LEU 40 3HD2 LEU 40 1.599 4.963 7.798 348 H GLU 41 H GLU 41 0.455 9.803 5.399 349 HA GLU 41 HA GLU 41 0.284 11.388 7.764 350 HB2 GLU 41 2HB GLU 41 1.251 12.149 4.968 351 HB3 GLU 41 1HB GLU 41 1.507 13.115 6.418 352 HG2 GLU 41 2HG GLU 41 2.591 10.313 6.006 353 HG3 GLU 41 1HG GLU 41 3.501 11.790 5.710 354 H GLU 42 H GLU 42 -1.556 11.254 4.795 355 HA GLU 42 HA GLU 42 -2.949 13.678 4.919 356 HB2 GLU 42 2HB GLU 42 -3.429 10.987 3.648 357 HB3 GLU 42 1HB GLU 42 -4.786 12.097 3.713 358 HG2 GLU 42 2HG GLU 42 -3.510 12.156 1.566 359 HG3 GLU 42 1HG GLU 42 -3.643 13.718 2.360 360 H PHE 43 H PHE 43 -3.377 10.787 6.883 361 HA PHE 43 HA PHE 43 -5.940 11.814 7.971 362 HB2 PHE 43 2HB PHE 43 -4.668 9.146 8.689 363 HB3 PHE 43 1HB PHE 43 -6.353 9.630 8.848 364 HD1 PHE 43 HD1 PHE 43 -4.234 7.602 7.010 365 HD2 PHE 43 HD2 PHE 43 -7.395 10.433 6.462 366 HE1 PHE 43 HE1 PHE 43 -4.689 6.678 4.780 367 HE2 PHE 43 HE2 PHE 43 -7.847 9.484 4.247 368 HZ PHE 43 HZ PHE 43 -6.499 7.624 3.417 369 HA PRO 44 HA PRO 44 -3.681 13.359 11.643 370 HB2 PRO 44 2HB PRO 44 -6.405 13.026 12.901 371 HB3 PRO 44 1HB PRO 44 -5.333 14.446 12.893 372 HG2 PRO 44 2HG PRO 44 -7.505 14.384 11.354 373 HG3 PRO 44 1HG PRO 44 -6.001 15.110 10.743 374 HD2 PRO 44 2HD PRO 44 -7.203 12.417 10.119 375 HD3 PRO 44 1HD PRO 44 -6.364 13.556 9.041 376 H GLY 45 H GLY 45 -2.415 11.587 12.060 377 HA2 GLY 45 2HA GLY 45 -1.558 9.835 13.270 378 HA3 GLY 45 1HA GLY 45 -2.970 9.924 14.317 379 H GLY 46 H GLY 46 -3.077 9.396 10.815 380 HA2 GLY 46 2HA GLY 46 -4.838 7.133 11.177 381 HA3 GLY 46 1HA GLY 46 -4.380 7.883 9.661 382 H GLU 47 H GLU 47 -1.518 7.343 11.081 383 HA GLU 47 HA GLU 47 -0.620 5.278 9.498 384 HB2 GLU 47 2HB GLU 47 0.919 6.769 10.569 385 HB3 GLU 47 1HB GLU 47 0.358 6.332 12.171 386 HG2 GLU 47 2HG GLU 47 1.670 4.233 10.447 387 HG3 GLU 47 1HG GLU 47 2.671 5.431 11.255 388 H GLU 48 H GLU 48 -2.051 5.057 12.735 389 HA GLU 48 HA GLU 48 -1.335 2.390 13.284 390 HB2 GLU 48 2HB GLU 48 -3.010 2.504 15.108 391 HB3 GLU 48 1HB GLU 48 -1.961 3.917 15.063 392 HG2 GLU 48 2HG GLU 48 -3.724 5.257 14.043 393 HG3 GLU 48 1HG GLU 48 -4.777 3.849 13.929 394 H VAL 49 H VAL 49 -4.047 3.617 11.414 395 HA VAL 49 HA VAL 49 -5.671 1.227 11.838 396 HB VAL 49 HB VAL 49 -6.638 3.564 11.800 397 HG11 VAL 49 1HG1 VAL 49 -7.178 4.627 9.640 398 HG12 VAL 49 2HG1 VAL 49 -6.196 3.419 8.809 399 HG13 VAL 49 3HG1 VAL 49 -5.440 4.540 9.935 400 HG21 VAL 49 1HG2 VAL 49 -7.896 1.614 9.840 401 HG22 VAL 49 2HG2 VAL 49 -8.724 2.948 10.649 402 HG23 VAL 49 3HG2 VAL 49 -8.095 1.595 11.593 403 H LEU 50 H LEU 50 -3.330 2.205 9.514 404 HA LEU 50 HA LEU 50 -4.363 0.291 7.491 405 HB2 LEU 50 2HB LEU 50 -3.068 1.899 5.837 406 HB3 LEU 50 1HB LEU 50 -4.695 2.276 6.375 407 HG LEU 50 HG LEU 50 -3.722 3.827 8.111 408 HD11 LEU 50 1HD1 LEU 50 -1.408 4.613 7.862 409 HD12 LEU 50 2HD1 LEU 50 -1.106 3.330 6.694 410 HD13 LEU 50 3HD1 LEU 50 -1.508 2.928 8.358 411 HD21 LEU 50 1HD2 LEU 50 -4.614 4.740 6.054 412 HD22 LEU 50 2HD2 LEU 50 -3.078 4.490 5.229 413 HD23 LEU 50 3HD2 LEU 50 -3.192 5.660 6.545 414 H ARG 51 H ARG 51 -1.540 1.351 9.275 415 HA ARG 51 HA ARG 51 0.489 0.179 7.674 416 HB2 ARG 51 2HB ARG 51 0.964 1.947 9.314 417 HB3 ARG 51 1HB ARG 51 0.489 0.908 10.637 418 HG2 ARG 51 2HG ARG 51 2.818 0.068 8.911 419 HG3 ARG 51 1HG ARG 51 3.056 1.368 10.072 420 HD2 ARG 51 2HD ARG 51 2.199 -1.482 10.683 421 HD3 ARG 51 1HD ARG 51 3.746 -0.726 11.084 422 HE ARG 51 HE ARG 51 2.158 0.893 12.387 423 HH11 ARG 51 1HH1 ARG 51 1.862 -2.628 12.302 424 HH12 ARG 51 2HH1 ARG 51 1.115 -2.694 13.869 425 HH21 ARG 51 1HH2 ARG 51 1.174 0.760 14.419 426 HH22 ARG 51 2HH2 ARG 51 0.727 -0.798 15.061 427 H GLU 52 H GLU 52 -1.699 -1.155 10.006 428 HA GLU 52 HA GLU 52 -0.511 -3.608 10.619 429 HB2 GLU 52 2HB GLU 52 -2.710 -2.469 11.488 430 HB3 GLU 52 1HB GLU 52 -3.496 -3.250 10.132 431 HG2 GLU 52 2HG GLU 52 -2.028 -4.680 12.365 432 HG3 GLU 52 1HG GLU 52 -3.770 -4.465 12.276 433 H GLN 53 H GLN 53 -2.721 -2.758 7.905 434 HA GLN 53 HA GLN 53 -2.178 -5.289 6.515 435 HB2 GLN 53 2HB GLN 53 -4.142 -3.031 5.915 436 HB3 GLN 53 1HB GLN 53 -3.960 -4.482 4.928 437 HG2 GLN 53 2HG GLN 53 -4.557 -5.854 6.953 438 HG3 GLN 53 1HG GLN 53 -4.912 -4.351 7.797 439 HE21 GLN 53 1HE2 GLN 53 -5.912 -6.502 5.256 440 HE22 GLN 53 2HE2 GLN 53 -7.476 -5.821 5.005 441 H ALA 54 H ALA 54 -0.279 -2.802 6.703 442 HA ALA 54 HA ALA 54 0.290 -2.034 4.031 443 HB1 ALA 54 1HB ALA 54 2.509 -1.375 4.895 444 HB2 ALA 54 2HB ALA 54 2.177 -2.233 6.404 445 HB3 ALA 54 3HB ALA 54 1.218 -0.820 5.966 446 H GLY 55 H GLY 55 0.991 -3.321 2.426 447 HA2 GLY 55 2HA GLY 55 2.015 -5.070 1.309 448 HA3 GLY 55 1HA GLY 55 2.740 -5.602 2.823 449 H GLY 56 H GLY 56 -0.648 -5.020 2.022 450 HA2 GLY 56 2HA GLY 56 -1.287 -7.895 2.101 451 HA3 GLY 56 1HA GLY 56 -2.072 -6.814 3.251 452 H ASP 57 H ASP 57 -3.128 -4.785 2.175 453 HA ASP 57 HA ASP 57 -4.449 -5.540 -0.350 454 HB2 ASP 57 2HB ASP 57 -5.756 -6.636 1.466 455 HB3 ASP 57 1HB ASP 57 -5.971 -5.079 2.260 456 H ALA 58 H ALA 58 -5.785 -3.859 -1.276 457 HA ALA 58 HA ALA 58 -5.782 -1.196 -0.137 458 HB1 ALA 58 1HB ALA 58 -3.603 -1.245 -1.317 459 HB2 ALA 58 2HB ALA 58 -4.716 -0.065 -2.008 460 HB3 ALA 58 3HB ALA 58 -4.438 -1.603 -2.827 461 H THR 59 H THR 59 -7.257 -3.626 -2.032 462 HA THR 59 HA THR 59 -8.991 -2.019 -3.640 463 HB THR 59 HB THR 59 -10.591 -3.977 -3.577 464 HG1 THR 59 HG1 THR 59 -8.632 -5.453 -2.166 465 HG21 THR 59 1HG2 THR 59 -7.748 -4.761 -4.230 466 HG22 THR 59 2HG2 THR 59 -8.867 -3.946 -5.321 467 HG23 THR 59 3HG2 THR 59 -9.195 -5.595 -4.783 468 H GLU 60 H GLU 60 -9.352 -3.555 -0.457 469 HA GLU 60 HA GLU 60 -11.747 -2.007 0.202 470 HB2 GLU 60 2HB GLU 60 -10.300 -4.129 1.853 471 HB3 GLU 60 1HB GLU 60 -11.909 -3.479 2.152 472 HG2 GLU 60 2HG GLU 60 -12.753 -4.522 0.102 473 HG3 GLU 60 1HG GLU 60 -11.132 -5.100 -0.291 474 H ASN 61 H ASN 61 -8.420 -2.603 1.395 475 HA ASN 61 HA ASN 61 -8.544 -1.144 3.768 476 HB2 ASN 61 2HB ASN 61 -6.810 -2.809 3.396 477 HB3 ASN 61 1HB ASN 61 -6.127 -1.886 2.060 478 HD21 ASN 61 1HD2 ASN 61 -4.772 -0.118 2.537 479 HD22 ASN 61 2HD2 ASN 61 -4.186 0.209 4.127 480 H PHE 62 H PHE 62 -6.858 -0.083 0.764 481 HA PHE 62 HA PHE 62 -6.098 2.476 1.637 482 HB2 PHE 62 2HB PHE 62 -5.208 1.208 -0.365 483 HB3 PHE 62 1HB PHE 62 -6.673 1.609 -1.235 484 HD1 PHE 62 HD1 PHE 62 -3.353 2.703 -0.334 485 HD2 PHE 62 HD2 PHE 62 -7.116 4.110 -1.782 486 HE1 PHE 62 HE1 PHE 62 -2.254 4.716 -1.212 487 HE2 PHE 62 HE2 PHE 62 -6.013 6.128 -2.645 488 HZ PHE 62 HZ PHE 62 -3.588 6.431 -2.373 489 H GLU 63 H GLU 63 -9.139 1.318 0.386 490 HA GLU 63 HA GLU 63 -10.314 3.922 -0.179 491 HB2 GLU 63 2HB GLU 63 -10.847 1.887 -1.537 492 HB3 GLU 63 1HB GLU 63 -11.556 1.136 -0.113 493 HG2 GLU 63 2HG GLU 63 -13.233 3.027 -0.048 494 HG3 GLU 63 1HG GLU 63 -12.574 3.581 -1.588 495 H ASP 64 H ASP 64 -10.434 1.440 2.324 496 HA ASP 64 HA ASP 64 -12.770 2.332 3.720 497 HB2 ASP 64 2HB ASP 64 -12.132 -0.007 3.856 498 HB3 ASP 64 1HB ASP 64 -10.525 0.387 4.438 499 H VAL 65 H VAL 65 -9.313 2.400 4.459 500 HA VAL 65 HA VAL 65 -9.520 4.211 6.673 501 HB VAL 65 HB VAL 65 -7.089 4.235 6.700 502 HG11 VAL 65 1HG1 VAL 65 -6.610 1.819 6.898 503 HG12 VAL 65 2HG1 VAL 65 -8.101 1.443 6.028 504 HG13 VAL 65 3HG1 VAL 65 -8.174 2.232 7.606 505 HG21 VAL 65 1HG2 VAL 65 -6.567 4.514 4.341 506 HG22 VAL 65 2HG2 VAL 65 -7.168 2.900 3.968 507 HG23 VAL 65 3HG2 VAL 65 -5.715 3.094 4.952 508 H GLY 66 H GLY 66 -9.240 4.480 3.235 509 HA2 GLY 66 2HA GLY 66 -8.162 7.135 3.092 510 HA3 GLY 66 1HA GLY 66 -8.779 6.163 1.772 511 H PHE 67 H PHE 67 -9.242 8.842 1.874 512 HA PHE 67 HA PHE 67 -11.750 9.567 3.015 513 HB2 PHE 67 2HB PHE 67 -10.264 10.837 0.677 514 HB3 PHE 67 1HB PHE 67 -11.547 11.585 1.613 515 HD1 PHE 67 HD1 PHE 67 -11.108 11.967 4.155 516 HD2 PHE 67 HD2 PHE 67 -8.016 11.160 1.305 517 HE1 PHE 67 HE1 PHE 67 -9.440 12.953 5.670 518 HE2 PHE 67 HE2 PHE 67 -6.361 12.145 2.829 519 HZ PHE 67 HZ PHE 67 -7.070 13.042 5.011 520 H SER 68 H SER 68 -13.725 10.031 1.825 521 HA SER 68 HA SER 68 -14.720 7.885 0.409 522 HB2 SER 68 2HB SER 68 -16.694 9.411 -0.114 523 HB3 SER 68 1HB SER 68 -16.237 9.321 1.591 524 HG SER 68 HG SER 68 -15.553 11.346 1.547 525 H THR 69 H THR 69 -14.110 11.127 -1.028 526 HA THR 69 HA THR 69 -14.178 9.945 -3.710 527 HB THR 69 HB THR 69 -13.931 12.922 -3.058 528 HG1 THR 69 HG1 THR 69 -16.229 11.243 -3.094 529 HG21 THR 69 1HG2 THR 69 -15.159 11.458 -5.437 530 HG22 THR 69 2HG2 THR 69 -13.584 12.258 -5.441 531 HG23 THR 69 3HG2 THR 69 -15.055 13.208 -5.231 532 H ASP 70 H ASP 70 -11.915 11.543 -1.475 533 HA ASP 70 HA ASP 70 -9.950 12.188 -3.414 534 HB2 ASP 70 2HB ASP 70 -9.697 11.979 -0.398 535 HB3 ASP 70 1HB ASP 70 -8.366 12.479 -1.431 536 H ALA 71 H ALA 71 -10.216 9.327 -1.209 537 HA ALA 71 HA ALA 71 -7.671 8.219 -1.787 538 HB1 ALA 71 1HB ALA 71 -8.529 6.095 -0.931 539 HB2 ALA 71 2HB ALA 71 -10.188 6.693 -1.056 540 HB3 ALA 71 3HB ALA 71 -9.061 7.434 0.083 541 H ARG 72 H ARG 72 -10.549 8.289 -3.675 542 HA ARG 72 HA ARG 72 -10.008 6.110 -5.447 543 HB2 ARG 72 2HB ARG 72 -11.830 8.526 -5.794 544 HB3 ARG 72 1HB ARG 72 -11.860 7.066 -6.783 545 HG2 ARG 72 2HG ARG 72 -12.524 5.725 -4.831 546 HG3 ARG 72 1HG ARG 72 -12.456 7.163 -3.806 547 HD2 ARG 72 2HD ARG 72 -14.768 6.643 -4.446 548 HD3 ARG 72 1HD ARG 72 -14.263 8.196 -5.119 549 HE ARG 72 HE ARG 72 -13.844 6.058 -6.974 550 HH11 ARG 72 1HH1 ARG 72 -16.404 8.128 -5.676 551 HH12 ARG 72 2HH1 ARG 72 -17.395 7.976 -7.097 552 HH21 ARG 72 1HH2 ARG 72 -15.151 5.875 -8.807 553 HH22 ARG 72 2HH2 ARG 72 -16.684 6.690 -8.876 554 H GLU 73 H GLU 73 -9.364 9.623 -5.525 555 HA GLU 73 HA GLU 73 -8.029 9.441 -8.139 556 HB2 GLU 73 2HB GLU 73 -7.754 11.875 -7.994 557 HB3 GLU 73 1HB GLU 73 -9.427 11.432 -7.680 558 HG2 GLU 73 2HG GLU 73 -9.118 11.768 -5.283 559 HG3 GLU 73 1HG GLU 73 -7.397 12.075 -5.519 560 H LEU 74 H LEU 74 -7.225 9.327 -4.802 561 HA LEU 74 HA LEU 74 -4.447 10.118 -5.070 562 HB2 LEU 74 2HB LEU 74 -6.001 8.906 -2.735 563 HB3 LEU 74 1HB LEU 74 -4.287 9.280 -2.657 564 HG LEU 74 HG LEU 74 -6.488 11.341 -3.113 565 HD11 LEU 74 1HD1 LEU 74 -4.864 10.838 -0.595 566 HD12 LEU 74 2HD1 LEU 74 -6.574 10.463 -0.827 567 HD13 LEU 74 3HD1 LEU 74 -6.036 12.140 -0.845 568 HD21 LEU 74 1HD2 LEU 74 -4.439 12.041 -4.183 569 HD22 LEU 74 2HD2 LEU 74 -3.517 11.743 -2.707 570 HD23 LEU 74 3HD2 LEU 74 -4.736 13.024 -2.750 571 H SER 75 H SER 75 -6.305 7.167 -5.294 572 HA SER 75 HA SER 75 -4.513 5.190 -4.617 573 HB2 SER 75 2HB SER 75 -5.804 3.723 -6.195 574 HB3 SER 75 1HB SER 75 -6.831 4.674 -5.122 575 HG SER 75 HG SER 75 -7.762 5.262 -6.918 576 H LYS 76 H LYS 76 -5.041 6.309 -8.001 577 HA LYS 76 HA LYS 76 -2.671 5.045 -8.985 578 HB2 LYS 76 2HB LYS 76 -4.685 5.406 -10.381 579 HB3 LYS 76 1HB LYS 76 -4.446 7.145 -10.286 580 HG2 LYS 76 2HG LYS 76 -2.265 6.872 -11.511 581 HG3 LYS 76 1HG LYS 76 -2.604 5.145 -11.645 582 HD2 LYS 76 2HD LYS 76 -3.173 6.345 -13.727 583 HD3 LYS 76 1HD LYS 76 -4.597 5.601 -12.995 584 HE2 LYS 76 2HE LYS 76 -5.066 7.878 -13.853 585 HE3 LYS 76 1HE LYS 76 -5.307 7.784 -12.110 586 HZ1 LYS 76 1HZ LYS 76 -4.140 9.802 -12.758 587 HZ2 LYS 76 2HZ LYS 76 -2.904 8.895 -13.471 588 HZ3 LYS 76 3HZ LYS 76 -3.143 8.833 -11.795 589 H LYS 77 H LYS 77 -3.227 8.108 -7.455 590 HA LYS 77 HA LYS 77 -1.161 9.673 -8.608 591 HB2 LYS 77 2HB LYS 77 -2.974 10.672 -7.287 592 HB3 LYS 77 1HB LYS 77 -2.426 9.829 -5.844 593 HG2 LYS 77 2HG LYS 77 -0.300 11.140 -5.924 594 HG3 LYS 77 1HG LYS 77 -0.926 12.018 -7.317 595 HD2 LYS 77 2HD LYS 77 -2.812 12.860 -5.950 596 HD3 LYS 77 1HD LYS 77 -2.200 11.955 -4.564 597 HE2 LYS 77 2HE LYS 77 -1.546 14.247 -4.280 598 HE3 LYS 77 1HE LYS 77 -0.094 13.337 -4.700 599 HZ1 LYS 77 1HZ LYS 77 -1.706 14.957 -6.600 600 HZ2 LYS 77 2HZ LYS 77 -0.289 14.120 -6.964 601 HZ3 LYS 77 3HZ LYS 77 -0.238 15.432 -5.908 602 H TYR 78 H TYR 78 -1.255 7.364 -5.954 603 HA TYR 78 HA TYR 78 1.574 7.785 -5.295 604 HB2 TYR 78 2HB TYR 78 -0.634 6.081 -4.039 605 HB3 TYR 78 1HB TYR 78 1.035 6.089 -3.466 606 HD1 TYR 78 HD1 TYR 78 2.046 8.345 -2.711 607 HD2 TYR 78 HD2 TYR 78 -2.144 7.795 -3.261 608 HE1 TYR 78 HE1 TYR 78 1.588 10.374 -1.411 609 HE2 TYR 78 HE2 TYR 78 -2.590 9.816 -1.961 610 HH TYR 78 HH TYR 78 -1.367 11.139 -0.160 611 H ILE 79 H ILE 79 1.090 6.797 -7.920 612 HA ILE 79 HA ILE 79 1.565 3.975 -8.030 613 HB ILE 79 HB ILE 79 0.550 5.017 -9.962 614 HG12 ILE 79 2HG1 ILE 79 2.021 4.209 -11.807 615 HG13 ILE 79 1HG1 ILE 79 3.379 4.128 -10.692 616 HG21 ILE 79 1HG2 ILE 79 3.020 6.734 -10.315 617 HG22 ILE 79 2HG2 ILE 79 1.434 7.292 -9.781 618 HG23 ILE 79 3HG2 ILE 79 1.643 6.667 -11.420 619 HD11 ILE 79 1HD1 ILE 79 2.413 1.938 -11.110 620 HD12 ILE 79 2HD1 ILE 79 0.849 2.492 -10.514 621 HD13 ILE 79 3HD1 ILE 79 2.229 2.387 -9.414 622 H ILE 80 H ILE 80 3.248 3.466 -6.721 623 HA ILE 80 HA ILE 80 5.886 4.718 -7.100 624 HB ILE 80 HB ILE 80 4.875 4.410 -4.788 625 HG12 ILE 80 2HG1 ILE 80 7.602 3.079 -5.162 626 HG13 ILE 80 1HG1 ILE 80 7.329 4.816 -5.179 627 HG21 ILE 80 1HG2 ILE 80 5.539 1.480 -5.186 628 HG22 ILE 80 2HG2 ILE 80 3.916 2.163 -5.075 629 HG23 ILE 80 3HG2 ILE 80 4.998 2.227 -3.682 630 HD11 ILE 80 1HD1 ILE 80 6.851 2.984 -2.829 631 HD12 ILE 80 2HD1 ILE 80 6.564 4.726 -2.860 632 HD13 ILE 80 3HD1 ILE 80 8.201 4.100 -3.044 633 H GLY 81 H GLY 81 4.137 2.025 -8.192 634 HA2 GLY 81 2HA GLY 81 5.793 1.131 -10.114 635 HA3 GLY 81 1HA GLY 81 6.428 0.290 -8.703 636 H GLU 82 H GLU 82 5.877 -1.711 -9.425 637 HA GLU 82 HA GLU 82 3.030 -2.492 -9.331 638 HB2 GLU 82 2HB GLU 82 3.573 -4.241 -11.075 639 HB3 GLU 82 1HB GLU 82 3.676 -2.589 -11.680 640 HG2 GLU 82 2HG GLU 82 6.100 -2.630 -11.581 641 HG3 GLU 82 1HG GLU 82 6.086 -4.199 -10.776 642 H LEU 83 H LEU 83 2.654 -4.360 -8.126 643 HA LEU 83 HA LEU 83 4.775 -5.333 -6.432 644 HB2 LEU 83 2HB LEU 83 2.283 -4.923 -5.792 645 HB3 LEU 83 1HB LEU 83 1.954 -6.470 -6.544 646 HG LEU 83 HG LEU 83 2.202 -6.515 -4.020 647 HD11 LEU 83 1HD1 LEU 83 3.464 -8.553 -3.829 648 HD12 LEU 83 2HD1 LEU 83 4.206 -8.290 -5.409 649 HD13 LEU 83 3HD1 LEU 83 2.473 -8.584 -5.287 650 HD21 LEU 83 1HD2 LEU 83 3.994 -4.864 -3.816 651 HD22 LEU 83 2HD2 LEU 83 5.134 -5.984 -4.566 652 HD23 LEU 83 3HD2 LEU 83 4.408 -6.368 -3.006 653 H HIS 84 H HIS 84 5.595 -7.410 -6.421 654 HA HIS 84 HA HIS 84 6.189 -8.515 -8.921 655 HB2 HIS 84 2HB HIS 84 7.491 -8.507 -6.625 656 HB3 HIS 84 1HB HIS 84 6.622 -10.001 -6.304 657 HD1 HIS 84 HD1 HIS 84 8.258 -11.822 -6.654 658 HD2 HIS 84 HD2 HIS 84 8.649 -8.851 -9.531 659 HE1 HIS 84 HE1 HIS 84 10.106 -12.587 -8.164 660 HE2 HIS 84 HE2 HIS 84 10.453 -10.673 -9.742 661 HA PRO 85 HA PRO 85 2.452 -10.853 -9.688 662 HB2 PRO 85 2HB PRO 85 3.607 -12.823 -11.404 663 HB3 PRO 85 1HB PRO 85 2.906 -11.273 -11.885 664 HG2 PRO 85 2HG PRO 85 5.758 -11.996 -11.514 665 HG3 PRO 85 1HG PRO 85 5.026 -10.823 -12.626 666 HD2 PRO 85 2HD PRO 85 6.367 -10.047 -10.402 667 HD3 PRO 85 1HD PRO 85 4.991 -9.127 -11.035 668 H ASP 86 H ASP 86 5.341 -12.650 -8.706 669 HA ASP 86 HA ASP 86 3.985 -14.970 -7.732 670 HB2 ASP 86 2HB ASP 86 6.384 -15.009 -8.273 671 HB3 ASP 86 1HB ASP 86 6.727 -13.813 -7.026 672 H ASP 87 H ASP 87 5.273 -12.043 -6.149 673 HA ASP 87 HA ASP 87 4.982 -12.961 -3.503 674 HB2 ASP 87 2HB ASP 87 5.549 -10.265 -4.733 675 HB3 ASP 87 1HB ASP 87 5.252 -10.382 -3.004 676 H ARG 88 H ARG 88 2.669 -11.255 -5.545 677 HA ARG 88 HA ARG 88 1.020 -10.254 -3.469 678 HB2 ARG 88 2HB ARG 88 -0.735 -10.010 -5.299 679 HB3 ARG 88 1HB ARG 88 0.815 -9.241 -5.597 680 HG2 ARG 88 2HG ARG 88 0.432 -10.162 -7.670 681 HG3 ARG 88 1HG ARG 88 1.360 -11.450 -6.922 682 HD2 ARG 88 2HD ARG 88 -0.717 -12.689 -6.436 683 HD3 ARG 88 1HD ARG 88 -1.674 -11.380 -7.141 684 HE ARG 88 HE ARG 88 0.319 -12.585 -8.893 685 HH11 ARG 88 1HH1 ARG 88 -3.058 -12.635 -7.887 686 HH12 ARG 88 2HH1 ARG 88 -3.589 -13.440 -9.327 687 HH21 ARG 88 1HH2 ARG 88 -0.411 -13.623 -10.778 688 HH22 ARG 88 2HH2 ARG 88 -2.097 -13.991 -10.952 689 H SER 89 H SER 89 1.087 -13.381 -5.097 690 HA SER 89 HA SER 89 -1.303 -14.375 -3.718 691 HB2 SER 89 2HB SER 89 -0.869 -14.951 -6.099 692 HB3 SER 89 1HB SER 89 0.618 -15.781 -5.635 693 HG SER 89 HG SER 89 -1.172 -17.207 -5.881 694 H LYS 90 H LYS 90 2.180 -14.753 -3.752 695 HA LYS 90 HA LYS 90 2.698 -16.836 -1.997 696 HB2 LYS 90 2HB LYS 90 4.442 -15.893 -3.326 697 HB3 LYS 90 1HB LYS 90 4.123 -14.274 -2.735 698 HG2 LYS 90 2HG LYS 90 5.023 -15.068 -0.471 699 HG3 LYS 90 1HG LYS 90 5.607 -16.505 -1.320 700 HD2 LYS 90 2HD LYS 90 7.015 -15.156 -2.778 701 HD3 LYS 90 1HD LYS 90 6.277 -13.664 -2.191 702 HE2 LYS 90 2HE LYS 90 7.265 -14.098 0.053 703 HE3 LYS 90 1HE LYS 90 8.081 -15.518 -0.607 704 HZ1 LYS 90 1HZ LYS 90 9.279 -14.097 -2.134 705 HZ2 LYS 90 2HZ LYS 90 9.519 -13.572 -0.550 706 HZ3 LYS 90 3HZ LYS 90 8.460 -12.726 -1.564 707 H ILE 91 H ILE 91 2.292 -13.371 -1.231 708 HA ILE 91 HA ILE 91 1.934 -14.006 1.651 709 HB ILE 91 HB ILE 91 3.065 -11.382 0.532 710 HG12 ILE 91 2HG1 ILE 91 4.655 -13.674 1.775 711 HG13 ILE 91 1HG1 ILE 91 4.632 -13.270 0.066 712 HG21 ILE 91 1HG2 ILE 91 3.061 -12.463 3.379 713 HG22 ILE 91 2HG2 ILE 91 2.025 -11.171 2.770 714 HG23 ILE 91 3HG2 ILE 91 3.770 -10.932 2.862 715 HD11 ILE 91 1HD1 ILE 91 5.737 -11.556 2.293 716 HD12 ILE 91 2HD1 ILE 91 5.663 -11.090 0.592 717 HD13 ILE 91 3HD1 ILE 91 6.653 -12.462 1.085 718 H ALA 92 H ALA 92 -0.200 -14.236 0.004 719 HA ALA 92 HA ALA 92 -1.844 -12.025 -0.505 720 HB1 ALA 92 1HB ALA 92 -2.346 -14.302 -1.309 721 HB2 ALA 92 2HB ALA 92 -3.726 -13.629 -0.442 722 HB3 ALA 92 3HB ALA 92 -2.689 -14.827 0.341 723 H LYS 93 H LYS 93 -1.592 -14.050 2.383 724 HA LYS 93 HA LYS 93 -2.112 -11.889 4.185 725 HB2 LYS 93 2HB LYS 93 -4.045 -12.997 5.359 726 HB3 LYS 93 1HB LYS 93 -4.444 -12.399 3.755 727 HG2 LYS 93 2HG LYS 93 -4.286 -14.708 2.853 728 HG3 LYS 93 1HG LYS 93 -3.883 -15.296 4.470 729 HD2 LYS 93 2HD LYS 93 -6.123 -14.332 5.244 730 HD3 LYS 93 1HD LYS 93 -6.510 -14.089 3.538 731 HE2 LYS 93 2HE LYS 93 -5.886 -16.750 4.866 732 HE3 LYS 93 1HE LYS 93 -7.478 -16.183 4.373 733 HZ1 LYS 93 1HZ LYS 93 -5.199 -16.762 2.563 734 HZ2 LYS 93 2HZ LYS 93 -6.701 -16.174 2.078 735 HZ3 LYS 93 3HZ LYS 93 -6.582 -17.713 2.764 736 HA PRO 94 HA PRO 94 1.017 -14.939 5.553 737 HB2 PRO 94 2HB PRO 94 2.481 -13.261 7.155 738 HB3 PRO 94 1HB PRO 94 2.621 -13.262 5.384 739 HG2 PRO 94 2HG PRO 94 1.078 -11.390 7.150 740 HG3 PRO 94 1HG PRO 94 2.081 -11.025 5.727 741 HD2 PRO 94 2HD PRO 94 -0.647 -11.163 5.606 742 HD3 PRO 94 1HD PRO 94 0.397 -11.579 4.227 743 H SER 95 H SER 95 0.237 -16.408 6.927 744 HA SER 95 HA SER 95 -1.212 -15.774 9.364 745 HB2 SER 95 2HB SER 95 -1.915 -17.625 7.846 746 HB3 SER 95 1HB SER 95 -0.403 -18.468 8.177 747 HG SER 95 HG SER 95 -1.450 -17.963 10.529 748 H GLU 96 H GLU 96 1.817 -15.287 8.996 749 HA GLU 96 HA GLU 96 3.331 -16.916 10.718 750 HB2 GLU 96 2HB GLU 96 3.752 -13.950 10.098 751 HB3 GLU 96 1HB GLU 96 4.969 -15.079 10.687 752 HG2 GLU 96 2HG GLU 96 4.840 -16.341 8.571 753 HG3 GLU 96 1HG GLU 96 3.595 -15.228 7.994 754 H THR 97 H THR 97 1.910 -13.698 11.270 755 HA THR 97 HA THR 97 2.157 -13.947 14.178 756 HB THR 97 HB THR 97 2.963 -11.865 13.154 757 HG1 THR 97 HG1 THR 97 0.597 -11.464 14.713 758 HG21 THR 97 1HG2 THR 97 0.112 -11.374 12.218 759 HG22 THR 97 2HG2 THR 97 1.493 -11.724 11.180 760 HG23 THR 97 3HG2 THR 97 1.454 -10.225 12.105 761 H LEU 98 H LEU 98 -0.023 -15.076 12.073 762 HA LEU 98 HA LEU 98 -2.373 -14.584 13.806 763 HB2 LEU 98 2HB LEU 98 -2.198 -15.585 10.930 764 HB3 LEU 98 1HB LEU 98 -3.655 -15.740 11.891 765 HG LEU 98 HG LEU 98 -3.719 -13.204 12.077 766 HD11 LEU 98 1HD1 LEU 98 -1.534 -13.305 9.985 767 HD12 LEU 98 2HD1 LEU 98 -1.370 -12.709 11.638 768 HD13 LEU 98 3HD1 LEU 98 -2.415 -11.865 10.499 769 HD21 LEU 98 1HD2 LEU 98 -3.855 -14.347 9.268 770 HD22 LEU 98 2HD2 LEU 98 -4.610 -12.848 9.821 771 HD23 LEU 98 3HD2 LEU 98 -5.141 -14.393 10.479 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 15.952 -4.197 -4.907 2 H2 ALA 1 2H ALA 1 16.368 -5.823 -5.110 3 H3 ALA 1 3H ALA 1 15.207 -5.115 -6.114 4 HA ALA 1 HA ALA 1 18.060 -4.367 -5.994 5 HB1 ALA 1 1HB ALA 1 17.737 -6.586 -7.031 6 HB2 ALA 1 2HB ALA 1 18.224 -5.399 -8.243 7 HB3 ALA 1 3HB ALA 1 16.536 -5.905 -8.133 8 H GLU 2 H GLU 2 18.655 -2.936 -7.797 9 HA GLU 2 HA GLU 2 16.837 -0.749 -8.197 10 HB2 GLU 2 2HB GLU 2 18.683 0.191 -9.631 11 HB3 GLU 2 1HB GLU 2 19.200 -0.248 -8.008 12 HG2 GLU 2 2HG GLU 2 20.211 -2.316 -8.868 13 HG3 GLU 2 1HG GLU 2 19.671 -1.918 -10.497 14 H GLN 3 H GLN 3 15.558 -0.364 -9.880 15 HA GLN 3 HA GLN 3 15.402 -2.246 -12.149 16 HB2 GLN 3 2HB GLN 3 13.116 -1.458 -12.504 17 HB3 GLN 3 1HB GLN 3 13.309 -1.993 -10.852 18 HG2 GLN 3 2HG GLN 3 13.236 0.899 -11.763 19 HG3 GLN 3 1HG GLN 3 11.880 0.021 -11.071 20 HE21 GLN 3 1HE2 GLN 3 12.079 -0.660 -8.822 21 HE22 GLN 3 2HE2 GLN 3 13.080 0.239 -7.741 22 H SER 4 H SER 4 15.142 -1.428 -14.267 23 HA SER 4 HA SER 4 16.902 0.752 -14.873 24 HB2 SER 4 2HB SER 4 16.342 0.111 -17.267 25 HB3 SER 4 1HB SER 4 16.952 -1.218 -16.281 26 HG SER 4 HG SER 4 15.208 -2.193 -16.917 27 H ASP 5 H ASP 5 13.408 0.313 -14.729 28 HA ASP 5 HA ASP 5 12.993 3.097 -15.708 29 HB2 ASP 5 2HB ASP 5 11.806 1.143 -16.931 30 HB3 ASP 5 1HB ASP 5 10.830 0.959 -15.482 31 H LYS 6 H LYS 6 12.879 4.446 -14.001 32 HA LYS 6 HA LYS 6 12.340 3.482 -11.320 33 HB2 LYS 6 2HB LYS 6 12.997 6.268 -12.336 34 HB3 LYS 6 1HB LYS 6 12.906 5.805 -10.635 35 HG2 LYS 6 2HG LYS 6 14.762 4.221 -10.956 36 HG3 LYS 6 1HG LYS 6 14.853 4.666 -12.666 37 HD2 LYS 6 2HD LYS 6 15.376 7.017 -11.981 38 HD3 LYS 6 1HD LYS 6 15.365 6.501 -10.290 39 HE2 LYS 6 2HE LYS 6 17.237 4.942 -10.790 40 HE3 LYS 6 1HE LYS 6 17.268 5.540 -12.453 41 HZ1 LYS 6 1HZ LYS 6 17.727 7.756 -11.572 42 HZ2 LYS 6 2HZ LYS 6 18.922 6.649 -11.135 43 HZ3 LYS 6 3HZ LYS 6 17.765 7.133 -10.001 44 H ASP 7 H ASP 7 10.147 4.070 -13.588 45 HA ASP 7 HA ASP 7 8.150 5.074 -11.641 46 HB2 ASP 7 2HB ASP 7 7.828 4.667 -14.654 47 HB3 ASP 7 1HB ASP 7 6.610 5.330 -13.568 48 H VAL 8 H VAL 8 8.903 2.478 -13.954 49 HA VAL 8 HA VAL 8 6.904 0.653 -12.868 50 HB VAL 8 HB VAL 8 9.116 0.092 -14.905 51 HG11 VAL 8 1HG1 VAL 8 6.592 -1.493 -14.286 52 HG12 VAL 8 2HG1 VAL 8 8.240 -1.969 -13.877 53 HG13 VAL 8 3HG1 VAL 8 7.750 -1.864 -15.568 54 HG21 VAL 8 1HG2 VAL 8 6.211 0.860 -15.415 55 HG22 VAL 8 2HG2 VAL 8 7.377 0.392 -16.654 56 HG23 VAL 8 3HG2 VAL 8 7.621 1.874 -15.729 57 H LYS 9 H LYS 9 7.856 1.035 -10.704 58 HA LYS 9 HA LYS 9 10.379 -0.308 -10.070 59 HB2 LYS 9 2HB LYS 9 8.491 1.322 -8.324 60 HB3 LYS 9 1HB LYS 9 10.031 0.649 -7.798 61 HG2 LYS 9 2HG LYS 9 11.255 2.107 -9.309 62 HG3 LYS 9 1HG LYS 9 9.753 2.690 -10.031 63 HD2 LYS 9 2HD LYS 9 10.719 4.333 -8.445 64 HD3 LYS 9 1HD LYS 9 9.123 3.784 -7.936 65 HE2 LYS 9 2HE LYS 9 10.595 3.936 -6.007 66 HE3 LYS 9 1HE LYS 9 10.215 2.242 -6.301 67 HZ1 LYS 9 1HZ LYS 9 12.720 3.642 -7.050 68 HZ2 LYS 9 2HZ LYS 9 12.367 2.030 -7.416 69 HZ3 LYS 9 3HZ LYS 9 12.531 2.511 -5.805 70 H TYR 10 H TYR 10 10.178 -2.469 -9.856 71 HA TYR 10 HA TYR 10 7.783 -3.769 -8.937 72 HB2 TYR 10 2HB TYR 10 10.597 -4.782 -9.534 73 HB3 TYR 10 1HB TYR 10 9.328 -5.837 -8.919 74 HD1 TYR 10 HD1 TYR 10 7.967 -6.985 -10.455 75 HD2 TYR 10 HD2 TYR 10 9.964 -3.422 -11.751 76 HE1 TYR 10 HE1 TYR 10 7.168 -7.371 -12.744 77 HE2 TYR 10 HE2 TYR 10 9.160 -3.815 -14.043 78 HH TYR 10 HH TYR 10 6.746 -6.127 -14.789 79 H TYR 11 H TYR 11 7.277 -3.256 -6.860 80 HA TYR 11 HA TYR 11 9.183 -3.821 -4.697 81 HB2 TYR 11 2HB TYR 11 6.292 -2.846 -4.740 82 HB3 TYR 11 1HB TYR 11 7.050 -3.391 -3.245 83 HD1 TYR 11 HD1 TYR 11 7.586 -0.967 -6.079 84 HD2 TYR 11 HD2 TYR 11 8.275 -1.847 -1.945 85 HE1 TYR 11 HE1 TYR 11 8.628 1.234 -5.782 86 HE2 TYR 11 HE2 TYR 11 9.315 0.357 -1.652 87 HH TYR 11 HH TYR 11 9.117 2.824 -3.956 88 H THR 12 H THR 12 9.139 -5.661 -3.541 89 HA THR 12 HA THR 12 7.304 -7.823 -4.328 90 HB THR 12 HB THR 12 8.789 -9.313 -3.005 91 HG1 THR 12 HG1 THR 12 10.089 -6.890 -2.410 92 HG21 THR 12 1HG2 THR 12 9.343 -9.005 -5.377 93 HG22 THR 12 2HG2 THR 12 10.816 -9.183 -4.424 94 HG23 THR 12 3HG2 THR 12 10.321 -7.587 -4.986 95 H LEU 13 H LEU 13 6.005 -8.798 -2.732 96 HA LEU 13 HA LEU 13 4.975 -7.034 -0.744 97 HB2 LEU 13 2HB LEU 13 3.755 -8.839 -2.188 98 HB3 LEU 13 1HB LEU 13 4.272 -9.972 -0.952 99 HG LEU 13 HG LEU 13 2.944 -8.836 0.745 100 HD11 LEU 13 1HD1 LEU 13 2.359 -6.740 -1.372 101 HD12 LEU 13 2HD1 LEU 13 3.329 -6.520 0.088 102 HD13 LEU 13 3HD1 LEU 13 1.599 -6.826 0.221 103 HD21 LEU 13 1HD2 LEU 13 1.314 -9.109 -1.800 104 HD22 LEU 13 2HD2 LEU 13 0.680 -9.122 -0.149 105 HD23 LEU 13 3HD2 LEU 13 1.736 -10.424 -0.698 106 H GLU 14 H GLU 14 7.128 -9.756 -0.781 107 HA GLU 14 HA GLU 14 7.680 -10.168 1.916 108 HB2 GLU 14 2HB GLU 14 8.489 -11.530 -0.018 109 HB3 GLU 14 1HB GLU 14 9.580 -10.220 -0.461 110 HG2 GLU 14 2HG GLU 14 10.759 -10.509 1.718 111 HG3 GLU 14 1HG GLU 14 9.692 -11.867 2.083 112 H GLU 15 H GLU 15 8.847 -7.615 -0.308 113 HA GLU 15 HA GLU 15 10.823 -6.425 1.349 114 HB2 GLU 15 2HB GLU 15 10.411 -5.992 -1.146 115 HB3 GLU 15 1HB GLU 15 9.060 -4.974 -0.678 116 HG2 GLU 15 2HG GLU 15 10.950 -3.569 -1.174 117 HG3 GLU 15 1HG GLU 15 10.653 -3.499 0.562 118 H ILE 16 H ILE 16 7.368 -5.902 0.963 119 HA ILE 16 HA ILE 16 7.227 -3.582 2.680 120 HB ILE 16 HB ILE 16 4.821 -5.121 1.619 121 HG12 ILE 16 2HG1 ILE 16 6.370 -2.974 0.077 122 HG13 ILE 16 1HG1 ILE 16 6.427 -4.694 -0.286 123 HG21 ILE 16 1HG2 ILE 16 5.241 -2.170 2.248 124 HG22 ILE 16 2HG2 ILE 16 4.362 -3.325 3.252 125 HG23 ILE 16 3HG2 ILE 16 3.740 -2.893 1.661 126 HD11 ILE 16 1HD1 ILE 16 3.986 -2.928 -0.472 127 HD12 ILE 16 2HD1 ILE 16 4.038 -4.660 -0.815 128 HD13 ILE 16 3HD1 ILE 16 4.958 -3.536 -1.815 129 H GLN 17 H GLN 17 7.314 -6.921 3.267 130 HA GLN 17 HA GLN 17 5.647 -7.354 5.470 131 HB2 GLN 17 2HB GLN 17 7.004 -9.119 4.349 132 HB3 GLN 17 1HB GLN 17 8.472 -8.424 5.030 133 HG2 GLN 17 2HG GLN 17 7.567 -8.927 7.327 134 HG3 GLN 17 1HG GLN 17 6.208 -9.749 6.563 135 HE21 GLN 17 1HE2 GLN 17 9.628 -9.861 7.201 136 HE22 GLN 17 2HE2 GLN 17 9.858 -11.521 6.779 137 H LYS 18 H LYS 18 8.544 -5.424 5.226 138 HA LYS 18 HA LYS 18 8.977 -5.025 8.059 139 HB2 LYS 18 2HB LYS 18 10.056 -3.507 5.645 140 HB3 LYS 18 1HB LYS 18 10.606 -3.297 7.306 141 HG2 LYS 18 2HG LYS 18 11.254 -5.772 7.262 142 HG3 LYS 18 1HG LYS 18 10.961 -5.721 5.521 143 HD2 LYS 18 2HD LYS 18 13.008 -4.087 7.077 144 HD3 LYS 18 1HD LYS 18 13.343 -5.433 5.987 145 HE2 LYS 18 2HE LYS 18 12.223 -2.715 5.216 146 HE3 LYS 18 1HE LYS 18 13.832 -3.339 4.854 147 HZ1 LYS 18 1HZ LYS 18 12.403 -3.532 2.950 148 HZ2 LYS 18 2HZ LYS 18 11.272 -4.424 3.827 149 HZ3 LYS 18 3HZ LYS 18 12.799 -5.075 3.514 150 H HIS 19 H HIS 19 6.234 -4.373 7.063 151 HA HIS 19 HA HIS 19 5.937 -1.496 7.034 152 HB2 HIS 19 2HB HIS 19 3.501 -1.967 6.870 153 HB3 HIS 19 1HB HIS 19 4.422 -2.858 5.669 154 HD1 HIS 19 HD1 HIS 19 4.162 -5.393 5.665 155 HD2 HIS 19 HD2 HIS 19 2.390 -3.627 8.978 156 HE1 HIS 19 HE1 HIS 19 2.804 -7.197 6.748 157 HE2 HIS 19 HE2 HIS 19 1.759 -6.108 8.758 158 H LYS 20 H LYS 20 7.210 -2.463 9.438 159 HA LYS 20 HA LYS 20 5.360 -2.151 11.641 160 HB2 LYS 20 2HB LYS 20 8.410 -2.166 11.543 161 HB3 LYS 20 1HB LYS 20 7.481 -2.017 13.025 162 HG2 LYS 20 2HG LYS 20 8.194 -4.274 12.911 163 HG3 LYS 20 1HG LYS 20 6.471 -4.278 12.529 164 HD2 LYS 20 2HD LYS 20 6.935 -4.584 10.161 165 HD3 LYS 20 1HD LYS 20 8.666 -4.353 10.422 166 HE2 LYS 20 2HE LYS 20 8.099 -6.733 10.102 167 HE3 LYS 20 1HE LYS 20 8.779 -6.439 11.702 168 HZ1 LYS 20 1HZ LYS 20 6.816 -7.937 11.639 169 HZ2 LYS 20 2HZ LYS 20 5.866 -6.614 11.178 170 HZ3 LYS 20 3HZ LYS 20 6.642 -6.612 12.678 171 H ASP 21 H ASP 21 7.547 -0.227 9.721 172 HA ASP 21 HA ASP 21 7.244 2.191 11.373 173 HB2 ASP 21 2HB ASP 21 9.023 1.723 8.927 174 HB3 ASP 21 1HB ASP 21 9.108 3.088 10.038 175 H SER 22 H SER 22 6.628 4.185 10.342 176 HA SER 22 HA SER 22 4.462 4.099 8.540 177 HB2 SER 22 2HB SER 22 6.229 6.532 9.102 178 HB3 SER 22 1HB SER 22 4.554 6.534 8.538 179 HG SER 22 HG SER 22 4.898 5.135 10.843 180 H LYS 23 H LYS 23 7.923 4.536 8.053 181 HA LYS 23 HA LYS 23 7.777 5.595 5.407 182 HB2 LYS 23 2HB LYS 23 10.318 5.191 5.424 183 HB3 LYS 23 1HB LYS 23 9.656 6.291 6.616 184 HG2 LYS 23 2HG LYS 23 11.278 5.080 7.798 185 HG3 LYS 23 1HG LYS 23 9.754 4.340 8.277 186 HD2 LYS 23 2HD LYS 23 11.354 2.584 7.928 187 HD3 LYS 23 1HD LYS 23 10.193 2.507 6.603 188 HE2 LYS 23 2HE LYS 23 12.417 2.169 5.706 189 HE3 LYS 23 1HE LYS 23 11.857 3.757 5.170 190 HZ1 LYS 23 1HZ LYS 23 13.157 4.757 6.956 191 HZ2 LYS 23 2HZ LYS 23 14.141 3.833 5.941 192 HZ3 LYS 23 3HZ LYS 23 13.686 3.229 7.456 193 H SER 24 H SER 24 7.959 2.310 6.622 194 HA SER 24 HA SER 24 8.268 1.247 3.874 195 HB2 SER 24 2HB SER 24 8.616 -0.099 6.585 196 HB3 SER 24 1HB SER 24 8.717 -0.945 5.039 197 HG SER 24 HG SER 24 10.747 -0.219 5.947 198 H THR 25 H THR 25 5.820 2.498 4.818 199 HA THR 25 HA THR 25 3.913 0.243 4.918 200 HB THR 25 HB THR 25 3.450 3.230 5.367 201 HG1 THR 25 HG1 THR 25 4.616 1.763 6.980 202 HG21 THR 25 1HG2 THR 25 1.201 2.642 6.152 203 HG22 THR 25 2HG2 THR 25 1.510 0.936 5.839 204 HG23 THR 25 3HG2 THR 25 1.409 2.070 4.494 205 H TRP 26 H TRP 26 3.612 -0.431 2.890 206 HA TRP 26 HA TRP 26 2.545 1.416 0.844 207 HB2 TRP 26 2HB TRP 26 4.456 -0.917 0.273 208 HB3 TRP 26 1HB TRP 26 3.744 0.148 -0.934 209 HD1 TRP 26 HD TRP 26 4.536 2.904 -0.517 210 HE1 TRP 26 HE1 TRP 26 6.920 3.759 -0.083 211 HE3 TRP 26 HE3 TRP 26 6.679 -1.437 1.163 212 HZ2 TRP 26 HZ2 TRP 26 9.382 2.743 0.826 213 HZ3 TRP 26 HZ3 TRP 26 9.065 -1.414 1.787 214 HH2 TRP 26 HH TRP 26 10.392 0.639 1.622 215 H VAL 27 H VAL 27 0.706 0.543 -0.181 216 HA VAL 27 HA VAL 27 -0.208 -2.124 0.802 217 HB VAL 27 HB VAL 27 -2.534 -1.376 0.390 218 HG11 VAL 27 1HG1 VAL 27 -2.751 0.173 2.310 219 HG12 VAL 27 2HG1 VAL 27 -1.006 0.432 2.290 220 HG13 VAL 27 3HG1 VAL 27 -1.654 -1.169 2.651 221 HG21 VAL 27 1HG2 VAL 27 -3.050 1.014 -0.051 222 HG22 VAL 27 2HG2 VAL 27 -2.156 0.283 -1.384 223 HG23 VAL 27 3HG2 VAL 27 -1.326 1.348 -0.247 224 H ILE 28 H ILE 28 -1.440 -3.432 -0.647 225 HA ILE 28 HA ILE 28 -1.072 -2.883 -3.522 226 HB ILE 28 HB ILE 28 -0.287 -5.104 -4.002 227 HG12 ILE 28 2HG1 ILE 28 0.288 -6.544 -1.657 228 HG13 ILE 28 1HG1 ILE 28 -1.270 -5.840 -1.274 229 HG21 ILE 28 1HG2 ILE 28 1.470 -3.582 -3.345 230 HG22 ILE 28 2HG2 ILE 28 1.869 -5.190 -2.740 231 HG23 ILE 28 3HG2 ILE 28 1.237 -3.972 -1.639 232 HD11 ILE 28 1HD1 ILE 28 -0.676 -7.573 -3.664 233 HD12 ILE 28 2HD1 ILE 28 -2.248 -6.909 -3.209 234 HD13 ILE 28 3HD1 ILE 28 -1.454 -8.087 -2.166 235 H LEU 29 H LEU 29 -2.838 -3.238 -4.690 236 HA LEU 29 HA LEU 29 -5.335 -3.971 -3.534 237 HB2 LEU 29 2HB LEU 29 -4.411 -3.496 -6.381 238 HB3 LEU 29 1HB LEU 29 -6.018 -4.112 -6.076 239 HG LEU 29 HG LEU 29 -5.861 -1.610 -6.505 240 HD11 LEU 29 1HD1 LEU 29 -7.505 -0.966 -4.831 241 HD12 LEU 29 2HD1 LEU 29 -7.131 -2.404 -3.879 242 HD13 LEU 29 3HD1 LEU 29 -7.846 -2.566 -5.484 243 HD21 LEU 29 1HD2 LEU 29 -5.167 -0.115 -4.698 244 HD22 LEU 29 2HD2 LEU 29 -3.821 -1.117 -5.236 245 HD23 LEU 29 3HD2 LEU 29 -4.649 -1.497 -3.728 246 H HIS 30 H HIS 30 -3.196 -5.562 -5.888 247 HA HIS 30 HA HIS 30 -3.361 -8.138 -4.823 248 HB2 HIS 30 2HB HIS 30 -4.792 -9.354 -6.366 249 HB3 HIS 30 1HB HIS 30 -5.734 -8.057 -5.648 250 HD1 HIS 30 HD1 HIS 30 -4.647 -9.447 -8.864 251 HD2 HIS 30 HD2 HIS 30 -6.298 -5.889 -7.495 252 HE1 HIS 30 HE1 HIS 30 -5.513 -8.268 -10.902 253 HE2 HIS 30 HE2 HIS 30 -6.697 -6.240 -10.012 254 H HIS 31 H HIS 31 -2.548 -5.999 -7.432 255 HA HIS 31 HA HIS 31 -0.471 -7.880 -8.384 256 HB2 HIS 31 2HB HIS 31 -2.739 -7.705 -9.813 257 HB3 HIS 31 1HB HIS 31 -1.988 -6.248 -10.442 258 HD1 HIS 31 HD1 HIS 31 0.694 -6.844 -11.291 259 HD2 HIS 31 HD2 HIS 31 -2.185 -9.848 -11.319 260 HE1 HIS 31 HE1 HIS 31 1.579 -8.638 -12.812 261 HE2 HIS 31 HE2 HIS 31 -0.161 -10.434 -12.800 262 H LYS 32 H LYS 32 -1.404 -4.654 -7.610 263 HA LYS 32 HA LYS 32 1.147 -3.554 -8.642 264 HB2 LYS 32 2HB LYS 32 -0.921 -2.917 -10.002 265 HB3 LYS 32 1HB LYS 32 -1.514 -2.072 -8.575 266 HG2 LYS 32 2HG LYS 32 0.655 -0.708 -8.648 267 HG3 LYS 32 1HG LYS 32 0.945 -1.429 -10.235 268 HD2 LYS 32 2HD LYS 32 -1.365 0.349 -9.410 269 HD3 LYS 32 1HD LYS 32 -0.069 0.752 -10.529 270 HE2 LYS 32 2HE LYS 32 -0.935 -0.873 -12.147 271 HE3 LYS 32 1HE LYS 32 -2.190 -1.373 -11.009 272 HZ1 LYS 32 1HZ LYS 32 -3.022 0.189 -12.647 273 HZ2 LYS 32 2HZ LYS 32 -1.900 1.349 -12.152 274 HZ3 LYS 32 3HZ LYS 32 -3.108 0.842 -11.091 275 H VAL 33 H VAL 33 2.041 -1.829 -7.348 276 HA VAL 33 HA VAL 33 1.068 -1.776 -4.549 277 HB VAL 33 HB VAL 33 3.360 -2.815 -4.861 278 HG11 VAL 33 1HG1 VAL 33 5.303 -1.385 -5.373 279 HG12 VAL 33 2HG1 VAL 33 4.230 -0.026 -5.702 280 HG13 VAL 33 3HG1 VAL 33 4.188 -1.452 -6.738 281 HG21 VAL 33 1HG2 VAL 33 4.455 -1.572 -3.021 282 HG22 VAL 33 2HG2 VAL 33 2.738 -1.824 -2.704 283 HG23 VAL 33 3HG2 VAL 33 3.312 -0.243 -3.239 284 H TYR 34 H TYR 34 0.828 0.184 -3.546 285 HA TYR 34 HA TYR 34 1.377 2.690 -5.011 286 HB2 TYR 34 2HB TYR 34 -1.096 2.020 -3.349 287 HB3 TYR 34 1HB TYR 34 -0.712 3.631 -3.947 288 HD1 TYR 34 HD1 TYR 34 -0.447 3.899 -6.532 289 HD2 TYR 34 HD2 TYR 34 -2.389 0.547 -4.735 290 HE1 TYR 34 HE1 TYR 34 -1.619 3.441 -8.640 291 HE2 TYR 34 HE2 TYR 34 -3.563 0.104 -6.843 292 HH TYR 34 HH TYR 34 -4.288 1.441 -8.838 293 H ASP 35 H ASP 35 1.982 4.422 -3.783 294 HA ASP 35 HA ASP 35 3.521 3.931 -1.450 295 HB2 ASP 35 2HB ASP 35 4.116 5.646 -3.167 296 HB3 ASP 35 1HB ASP 35 2.700 6.587 -2.712 297 H LEU 36 H LEU 36 2.703 3.746 0.564 298 HA LEU 36 HA LEU 36 0.207 5.164 1.245 299 HB2 LEU 36 2HB LEU 36 0.676 2.482 1.408 300 HB3 LEU 36 1HB LEU 36 1.185 2.960 3.012 301 HG LEU 36 HG LEU 36 -1.171 2.202 2.972 302 HD11 LEU 36 1HD1 LEU 36 -1.005 5.158 3.561 303 HD12 LEU 36 2HD1 LEU 36 -0.534 3.857 4.658 304 HD13 LEU 36 3HD1 LEU 36 -2.217 4.023 4.163 305 HD21 LEU 36 1HD2 LEU 36 -1.710 4.573 1.166 306 HD22 LEU 36 2HD2 LEU 36 -2.896 3.427 1.796 307 HD23 LEU 36 3HD2 LEU 36 -1.672 2.887 0.654 308 H THR 37 H THR 37 3.583 5.038 1.930 309 HA THR 37 HA THR 37 3.664 5.743 4.636 310 HB THR 37 HB THR 37 5.689 4.955 3.599 311 HG1 THR 37 HG1 THR 37 5.772 6.674 5.294 312 HG21 THR 37 1HG2 THR 37 6.989 6.260 1.971 313 HG22 THR 37 2HG2 THR 37 5.697 7.462 1.900 314 HG23 THR 37 3HG2 THR 37 5.407 5.821 1.316 315 H LYS 38 H LYS 38 3.152 7.802 1.826 316 HA LYS 38 HA LYS 38 3.260 10.270 3.409 317 HB2 LYS 38 2HB LYS 38 4.086 9.880 0.928 318 HB3 LYS 38 1HB LYS 38 2.404 10.116 0.512 319 HG2 LYS 38 2HG LYS 38 3.374 12.284 2.237 320 HG3 LYS 38 1HG LYS 38 4.398 12.095 0.822 321 HD2 LYS 38 2HD LYS 38 2.795 13.684 0.137 322 HD3 LYS 38 1HD LYS 38 2.203 12.177 -0.561 323 HE2 LYS 38 2HE LYS 38 0.605 11.964 1.331 324 HE3 LYS 38 1HE LYS 38 1.187 13.498 1.980 325 HZ1 LYS 38 1HZ LYS 38 0.432 14.586 -0.038 326 HZ2 LYS 38 2HZ LYS 38 -0.844 13.771 0.719 327 HZ3 LYS 38 3HZ LYS 38 -0.118 13.109 -0.655 328 H PHE 39 H PHE 39 0.970 8.088 1.902 329 HA PHE 39 HA PHE 39 -1.376 9.636 1.895 330 HB2 PHE 39 2HB PHE 39 -0.999 7.533 0.601 331 HB3 PHE 39 1HB PHE 39 -1.079 6.605 2.089 332 HD1 PHE 39 HD1 PHE 39 -3.107 8.858 -0.112 333 HD2 PHE 39 HD2 PHE 39 -3.198 5.770 2.841 334 HE1 PHE 39 HE1 PHE 39 -5.513 8.557 -0.495 335 HE2 PHE 39 HE2 PHE 39 -5.605 5.484 2.457 336 HZ PHE 39 HZ PHE 39 -6.761 6.871 0.788 337 H LEU 40 H LEU 40 0.109 7.697 4.457 338 HA LEU 40 HA LEU 40 -2.155 7.802 6.231 339 HB2 LEU 40 2HB LEU 40 -0.625 6.788 7.908 340 HB3 LEU 40 1HB LEU 40 -0.734 5.907 6.403 341 HG LEU 40 HG LEU 40 1.544 7.108 5.801 342 HD11 LEU 40 1HD1 LEU 40 1.623 8.667 7.686 343 HD12 LEU 40 2HD1 LEU 40 3.013 7.584 7.690 344 HD13 LEU 40 3HD1 LEU 40 1.679 7.314 8.819 345 HD21 LEU 40 1HD2 LEU 40 1.321 4.693 6.117 346 HD22 LEU 40 2HD2 LEU 40 1.479 4.889 7.865 347 HD23 LEU 40 3HD2 LEU 40 2.834 5.286 6.802 348 H GLU 41 H GLU 41 0.547 9.860 5.579 349 HA GLU 41 HA GLU 41 0.508 11.368 8.016 350 HB2 GLU 41 2HB GLU 41 1.691 12.003 5.286 351 HB3 GLU 41 1HB GLU 41 1.948 12.989 6.725 352 HG2 GLU 41 2HG GLU 41 2.723 10.063 6.548 353 HG3 GLU 41 1HG GLU 41 3.819 11.380 6.136 354 H GLU 42 H GLU 42 -1.371 11.418 5.113 355 HA GLU 42 HA GLU 42 -2.422 14.029 5.149 356 HB2 GLU 42 2HB GLU 42 -3.673 11.420 4.196 357 HB3 GLU 42 1HB GLU 42 -4.259 13.024 3.787 358 HG2 GLU 42 2HG GLU 42 -1.967 13.466 2.763 359 HG3 GLU 42 1HG GLU 42 -1.643 11.746 2.974 360 H PHE 43 H PHE 43 -3.347 11.046 6.775 361 HA PHE 43 HA PHE 43 -5.647 12.231 8.138 362 HB2 PHE 43 2HB PHE 43 -4.432 9.504 8.725 363 HB3 PHE 43 1HB PHE 43 -6.104 10.010 8.920 364 HD1 PHE 43 HD1 PHE 43 -7.051 10.969 6.452 365 HD2 PHE 43 HD2 PHE 43 -4.168 7.864 7.079 366 HE1 PHE 43 HE1 PHE 43 -7.550 10.038 4.244 367 HE2 PHE 43 HE2 PHE 43 -4.685 6.962 4.856 368 HZ PHE 43 HZ PHE 43 -6.362 8.061 3.446 369 HA PRO 44 HA PRO 44 -3.109 13.611 11.681 370 HB2 PRO 44 2HB PRO 44 -5.529 13.066 13.374 371 HB3 PRO 44 1HB PRO 44 -4.646 14.589 13.141 372 HG2 PRO 44 2HG PRO 44 -7.055 14.214 12.054 373 HG3 PRO 44 1HG PRO 44 -5.796 15.130 11.205 374 HD2 PRO 44 2HD PRO 44 -6.719 12.304 10.722 375 HD3 PRO 44 1HD PRO 44 -6.261 13.559 9.549 376 H GLY 45 H GLY 45 -1.699 11.849 11.744 377 HA2 GLY 45 2HA GLY 45 -0.611 10.054 12.667 378 HA3 GLY 45 1HA GLY 45 -1.791 10.063 13.969 379 H GLY 46 H GLY 46 -2.155 9.584 10.454 380 HA2 GLY 46 2HA GLY 46 -4.232 7.657 10.807 381 HA3 GLY 46 1HA GLY 46 -3.525 8.180 9.293 382 H GLU 47 H GLU 47 -0.913 7.188 10.953 383 HA GLU 47 HA GLU 47 -0.260 4.988 9.453 384 HB2 GLU 47 2HB GLU 47 1.375 6.189 10.797 385 HB3 GLU 47 1HB GLU 47 0.592 5.679 12.289 386 HG2 GLU 47 2HG GLU 47 1.174 3.282 11.624 387 HG3 GLU 47 1HG GLU 47 2.163 3.967 10.340 388 H GLU 48 H GLU 48 -1.649 4.865 12.775 389 HA GLU 48 HA GLU 48 -1.407 2.143 13.233 390 HB2 GLU 48 2HB GLU 48 -3.143 2.468 15.014 391 HB3 GLU 48 1HB GLU 48 -1.855 3.664 15.041 392 HG2 GLU 48 2HG GLU 48 -3.322 5.315 13.966 393 HG3 GLU 48 1HG GLU 48 -4.612 4.118 13.858 394 H VAL 49 H VAL 49 -4.031 3.733 11.451 395 HA VAL 49 HA VAL 49 -5.893 1.547 11.859 396 HB VAL 49 HB VAL 49 -6.587 3.967 11.806 397 HG11 VAL 49 1HG1 VAL 49 -5.211 4.765 9.931 398 HG12 VAL 49 2HG1 VAL 49 -6.914 5.138 9.673 399 HG13 VAL 49 3HG1 VAL 49 -6.166 3.798 8.804 400 HG21 VAL 49 1HG2 VAL 49 -8.708 3.613 10.618 401 HG22 VAL 49 2HG2 VAL 49 -8.262 2.183 11.553 402 HG23 VAL 49 3HG2 VAL 49 -8.031 2.202 9.802 403 H LEU 50 H LEU 50 -3.525 2.329 9.459 404 HA LEU 50 HA LEU 50 -4.766 0.490 7.456 405 HB2 LEU 50 2HB LEU 50 -3.448 2.000 5.773 406 HB3 LEU 50 1HB LEU 50 -4.956 2.574 6.454 407 HG LEU 50 HG LEU 50 -3.553 3.868 8.172 408 HD11 LEU 50 1HD1 LEU 50 -1.257 4.469 7.553 409 HD12 LEU 50 2HD1 LEU 50 -1.291 3.266 6.263 410 HD13 LEU 50 3HD1 LEU 50 -1.428 2.765 7.945 411 HD21 LEU 50 1HD2 LEU 50 -4.730 4.995 6.372 412 HD22 LEU 50 2HD2 LEU 50 -3.385 4.710 5.265 413 HD23 LEU 50 3HD2 LEU 50 -3.173 5.765 6.664 414 H ARG 51 H ARG 51 -1.933 1.238 9.268 415 HA ARG 51 HA ARG 51 0.112 0.269 7.568 416 HB2 ARG 51 2HB ARG 51 0.479 1.789 9.517 417 HB3 ARG 51 1HB ARG 51 0.076 0.469 10.609 418 HG2 ARG 51 2HG ARG 51 2.071 -0.781 9.541 419 HG3 ARG 51 1HG ARG 51 2.524 0.780 8.855 420 HD2 ARG 51 2HD ARG 51 3.722 0.283 10.969 421 HD3 ARG 51 1HD ARG 51 2.721 1.735 11.093 422 HE ARG 51 HE ARG 51 1.349 -0.639 11.953 423 HH11 ARG 51 1HH1 ARG 51 3.578 1.844 13.063 424 HH12 ARG 51 2HH1 ARG 51 3.170 1.619 14.735 425 HH21 ARG 51 1HH2 ARG 51 0.834 -0.933 14.117 426 HH22 ARG 51 2HH2 ARG 51 1.607 0.039 15.336 427 H GLU 52 H GLU 52 -1.956 -1.272 9.930 428 HA GLU 52 HA GLU 52 -0.627 -3.723 10.268 429 HB2 GLU 52 2HB GLU 52 -3.643 -3.318 10.390 430 HB3 GLU 52 1HB GLU 52 -2.692 -4.533 11.241 431 HG2 GLU 52 2HG GLU 52 -2.797 -1.551 11.774 432 HG3 GLU 52 1HG GLU 52 -3.372 -2.845 12.822 433 H GLN 53 H GLN 53 -2.940 -2.577 7.871 434 HA GLN 53 HA GLN 53 -3.051 -5.146 6.456 435 HB2 GLN 53 2HB GLN 53 -4.700 -2.619 6.367 436 HB3 GLN 53 1HB GLN 53 -4.728 -3.706 4.987 437 HG2 GLN 53 2HG GLN 53 -6.622 -4.086 6.521 438 HG3 GLN 53 1HG GLN 53 -5.610 -5.511 6.344 439 HE21 GLN 53 1HE2 GLN 53 -4.482 -6.296 8.138 440 HE22 GLN 53 2HE2 GLN 53 -4.749 -5.707 9.742 441 H ALA 54 H ALA 54 -1.111 -2.389 6.380 442 HA ALA 54 HA ALA 54 -0.465 -2.284 3.603 443 HB1 ALA 54 1HB ALA 54 1.332 -1.708 5.990 444 HB2 ALA 54 2HB ALA 54 0.291 -0.538 5.178 445 HB3 ALA 54 3HB ALA 54 1.658 -1.247 4.315 446 H GLY 55 H GLY 55 1.189 -3.403 2.473 447 HA2 GLY 55 2HA GLY 55 2.381 -5.270 1.859 448 HA3 GLY 55 1HA GLY 55 2.666 -5.593 3.563 449 H GLY 56 H GLY 56 -0.599 -5.241 2.424 450 HA2 GLY 56 2HA GLY 56 -1.072 -8.105 2.087 451 HA3 GLY 56 1HA GLY 56 -1.790 -7.357 3.511 452 H ASP 57 H ASP 57 -3.368 -5.650 3.183 453 HA ASP 57 HA ASP 57 -4.971 -6.172 0.762 454 HB2 ASP 57 2HB ASP 57 -5.917 -6.742 3.068 455 HB3 ASP 57 1HB ASP 57 -5.953 -5.017 3.412 456 H ALA 58 H ALA 58 -5.987 -4.523 -0.317 457 HA ALA 58 HA ALA 58 -5.985 -1.783 0.556 458 HB1 ALA 58 1HB ALA 58 -4.579 -2.417 -2.051 459 HB2 ALA 58 2HB ALA 58 -3.773 -1.934 -0.563 460 HB3 ALA 58 3HB ALA 58 -4.867 -0.811 -1.373 461 H THR 59 H THR 59 -7.208 -4.391 -1.223 462 HA THR 59 HA THR 59 -8.820 -3.251 -3.202 463 HB THR 59 HB THR 59 -10.343 -5.323 -2.719 464 HG1 THR 59 HG1 THR 59 -9.602 -6.761 -1.223 465 HG21 THR 59 1HG2 THR 59 -7.398 -5.798 -3.314 466 HG22 THR 59 2HG2 THR 59 -8.632 -5.362 -4.498 467 HG23 THR 59 3HG2 THR 59 -8.714 -6.918 -3.670 468 H GLU 60 H GLU 60 -9.406 -3.824 0.216 469 HA GLU 60 HA GLU 60 -11.890 -2.224 0.176 470 HB2 GLU 60 2HB GLU 60 -10.820 -4.082 2.341 471 HB3 GLU 60 1HB GLU 60 -12.413 -3.325 2.301 472 HG2 GLU 60 2HG GLU 60 -13.002 -4.657 0.305 473 HG3 GLU 60 1HG GLU 60 -11.397 -5.389 0.311 474 H ASN 61 H ASN 61 -8.759 -2.634 1.806 475 HA ASN 61 HA ASN 61 -9.240 -0.895 3.965 476 HB2 ASN 61 2HB ASN 61 -7.605 -2.710 4.133 477 HB3 ASN 61 1HB ASN 61 -6.601 -1.969 2.891 478 HD21 ASN 61 1HD2 ASN 61 -5.257 -0.246 3.460 479 HD22 ASN 61 2HD2 ASN 61 -5.015 0.263 5.091 480 H PHE 62 H PHE 62 -7.322 -0.359 0.984 481 HA PHE 62 HA PHE 62 -6.123 2.070 1.605 482 HB2 PHE 62 2HB PHE 62 -5.454 0.744 -0.340 483 HB3 PHE 62 1HB PHE 62 -7.022 0.972 -1.096 484 HD1 PHE 62 HD1 PHE 62 -7.338 2.778 -2.623 485 HD2 PHE 62 HD2 PHE 62 -3.984 2.847 0.027 486 HE1 PHE 62 HE1 PHE 62 -6.445 4.741 -3.789 487 HE2 PHE 62 HE2 PHE 62 -3.100 4.816 -1.148 488 HZ PHE 62 HZ PHE 62 -4.328 5.765 -3.061 489 H GLU 63 H GLU 63 -9.371 1.468 0.376 490 HA GLU 63 HA GLU 63 -9.949 4.301 -0.091 491 HB2 GLU 63 2HB GLU 63 -10.671 2.494 -1.699 492 HB3 GLU 63 1HB GLU 63 -11.762 1.885 -0.458 493 HG2 GLU 63 2HG GLU 63 -12.945 4.089 -0.475 494 HG3 GLU 63 1HG GLU 63 -11.885 4.617 -1.782 495 H ASP 64 H ASP 64 -10.714 1.697 2.153 496 HA ASP 64 HA ASP 64 -12.936 2.860 3.481 497 HB2 ASP 64 2HB ASP 64 -12.499 0.441 3.595 498 HB3 ASP 64 1HB ASP 64 -10.966 0.721 4.420 499 H VAL 65 H VAL 65 -9.527 2.554 4.498 500 HA VAL 65 HA VAL 65 -9.676 4.409 6.667 501 HB VAL 65 HB VAL 65 -7.248 4.279 6.789 502 HG11 VAL 65 1HG1 VAL 65 -8.372 1.542 6.074 503 HG12 VAL 65 2HG1 VAL 65 -8.465 2.328 7.654 504 HG13 VAL 65 3HG1 VAL 65 -6.897 1.844 7.004 505 HG21 VAL 65 1HG2 VAL 65 -6.628 4.535 4.433 506 HG22 VAL 65 2HG2 VAL 65 -7.296 2.952 4.043 507 HG23 VAL 65 3HG2 VAL 65 -5.872 3.075 5.074 508 H GLY 66 H GLY 66 -9.153 4.666 3.245 509 HA2 GLY 66 2HA GLY 66 -7.921 7.244 3.162 510 HA3 GLY 66 1HA GLY 66 -8.592 6.343 1.813 511 H PHE 67 H PHE 67 -8.862 9.115 2.095 512 HA PHE 67 HA PHE 67 -11.478 9.857 2.952 513 HB2 PHE 67 2HB PHE 67 -9.824 11.089 0.710 514 HB3 PHE 67 1HB PHE 67 -11.170 11.849 1.539 515 HD1 PHE 67 HD1 PHE 67 -10.831 12.060 4.212 516 HD2 PHE 67 HD2 PHE 67 -7.655 11.708 1.353 517 HE1 PHE 67 HE1 PHE 67 -9.284 13.146 5.784 518 HE2 PHE 67 HE2 PHE 67 -6.117 12.790 2.937 519 HZ PHE 67 HZ PHE 67 -6.929 13.513 5.150 520 H SER 68 H SER 68 -13.423 9.892 1.752 521 HA SER 68 HA SER 68 -13.954 7.547 0.382 522 HB2 SER 68 2HB SER 68 -16.229 8.564 -0.030 523 HB3 SER 68 1HB SER 68 -15.677 8.685 1.635 524 HG SER 68 HG SER 68 -15.286 10.823 1.380 525 H THR 69 H THR 69 -13.828 10.837 -1.058 526 HA THR 69 HA THR 69 -13.922 9.791 -3.781 527 HB THR 69 HB THR 69 -13.644 12.220 -4.440 528 HG1 THR 69 HG1 THR 69 -12.620 13.254 -2.834 529 HG21 THR 69 1HG2 THR 69 -15.916 11.282 -4.132 530 HG22 THR 69 2HG2 THR 69 -15.856 12.984 -3.666 531 HG23 THR 69 3HG2 THR 69 -15.867 11.728 -2.425 532 H ASP 70 H ASP 70 -11.575 11.356 -1.607 533 HA ASP 70 HA ASP 70 -9.693 12.036 -3.589 534 HB2 ASP 70 2HB ASP 70 -9.248 11.750 -0.597 535 HB3 ASP 70 1HB ASP 70 -8.124 12.516 -1.713 536 H ALA 71 H ALA 71 -9.712 9.264 -1.308 537 HA ALA 71 HA ALA 71 -7.232 8.136 -1.835 538 HB1 ALA 71 1HB ALA 71 -9.806 6.614 -1.265 539 HB2 ALA 71 2HB ALA 71 -8.736 7.320 -0.053 540 HB3 ALA 71 3HB ALA 71 -8.167 5.989 -1.065 541 H ARG 72 H ARG 72 -10.208 7.869 -3.689 542 HA ARG 72 HA ARG 72 -9.456 5.665 -5.343 543 HB2 ARG 72 2HB ARG 72 -11.650 7.733 -5.795 544 HB3 ARG 72 1HB ARG 72 -11.530 6.158 -6.582 545 HG2 ARG 72 2HG ARG 72 -11.819 5.040 -4.391 546 HG3 ARG 72 1HG ARG 72 -11.941 6.616 -3.604 547 HD2 ARG 72 2HD ARG 72 -14.163 5.679 -3.901 548 HD3 ARG 72 1HD ARG 72 -13.976 7.096 -4.933 549 HE ARG 72 HE ARG 72 -13.623 5.530 -6.812 550 HH11 ARG 72 1HH1 ARG 72 -15.359 4.332 -3.988 551 HH12 ARG 72 2HH1 ARG 72 -16.188 3.104 -4.885 552 HH21 ARG 72 1HH2 ARG 72 -14.704 3.912 -7.949 553 HH22 ARG 72 2HH2 ARG 72 -15.818 2.865 -7.130 554 H GLU 73 H GLU 73 -9.438 9.190 -5.796 555 HA GLU 73 HA GLU 73 -8.350 9.031 -8.508 556 HB2 GLU 73 2HB GLU 73 -8.486 11.517 -8.447 557 HB3 GLU 73 1HB GLU 73 -10.020 10.746 -8.051 558 HG2 GLU 73 2HG GLU 73 -9.456 11.099 -5.604 559 HG3 GLU 73 1HG GLU 73 -8.083 12.073 -6.130 560 H LEU 74 H LEU 74 -7.169 9.341 -5.284 561 HA LEU 74 HA LEU 74 -4.550 10.372 -5.995 562 HB2 LEU 74 2HB LEU 74 -5.933 9.730 -3.419 563 HB3 LEU 74 1HB LEU 74 -4.192 9.566 -3.411 564 HG LEU 74 HG LEU 74 -3.890 11.921 -3.957 565 HD11 LEU 74 1HD1 LEU 74 -5.747 13.512 -4.151 566 HD12 LEU 74 2HD1 LEU 74 -6.908 12.183 -4.058 567 HD13 LEU 74 3HD1 LEU 74 -5.805 12.300 -5.430 568 HD21 LEU 74 1HD2 LEU 74 -4.139 11.300 -1.596 569 HD22 LEU 74 2HD2 LEU 74 -5.881 11.584 -1.691 570 HD23 LEU 74 3HD2 LEU 74 -4.752 12.927 -1.895 571 H SER 75 H SER 75 -6.107 7.334 -5.921 572 HA SER 75 HA SER 75 -4.112 5.516 -5.283 573 HB2 SER 75 2HB SER 75 -6.478 4.914 -5.837 574 HB3 SER 75 1HB SER 75 -6.165 5.262 -7.537 575 HG SER 75 HG SER 75 -5.487 3.071 -6.012 576 H LYS 76 H LYS 76 -4.848 6.830 -8.552 577 HA LYS 76 HA LYS 76 -2.488 5.807 -9.766 578 HB2 LYS 76 2HB LYS 76 -3.160 7.166 -11.739 579 HB3 LYS 76 1HB LYS 76 -4.459 6.173 -11.112 580 HG2 LYS 76 2HG LYS 76 -5.551 8.167 -11.626 581 HG3 LYS 76 1HG LYS 76 -5.256 8.335 -9.894 582 HD2 LYS 76 2HD LYS 76 -3.303 9.791 -10.361 583 HD3 LYS 76 1HD LYS 76 -3.549 9.586 -12.098 584 HE2 LYS 76 2HE LYS 76 -5.722 10.719 -11.922 585 HE3 LYS 76 1HE LYS 76 -5.507 10.892 -10.180 586 HZ1 LYS 76 1HZ LYS 76 -3.734 12.088 -12.239 587 HZ2 LYS 76 2HZ LYS 76 -3.632 12.316 -10.570 588 HZ3 LYS 76 3HZ LYS 76 -4.967 12.907 -11.418 589 H LYS 77 H LYS 77 -2.961 8.539 -7.754 590 HA LYS 77 HA LYS 77 -0.769 10.156 -8.742 591 HB2 LYS 77 2HB LYS 77 -2.631 11.274 -7.622 592 HB3 LYS 77 1HB LYS 77 -2.411 10.308 -6.175 593 HG2 LYS 77 2HG LYS 77 -0.119 12.043 -7.053 594 HG3 LYS 77 1HG LYS 77 -1.528 12.846 -6.363 595 HD2 LYS 77 2HD LYS 77 -1.274 11.689 -4.267 596 HD3 LYS 77 1HD LYS 77 -0.097 10.564 -4.945 597 HE2 LYS 77 2HE LYS 77 1.010 12.202 -3.519 598 HE3 LYS 77 1HE LYS 77 1.518 12.416 -5.194 599 HZ1 LYS 77 1HZ LYS 77 1.085 14.523 -4.122 600 HZ2 LYS 77 2HZ LYS 77 -0.500 14.059 -3.766 601 HZ3 LYS 77 3HZ LYS 77 -0.025 14.273 -5.373 602 H TYR 78 H TYR 78 -1.301 7.737 -6.244 603 HA TYR 78 HA TYR 78 1.444 7.918 -5.230 604 HB2 TYR 78 2HB TYR 78 -1.005 6.347 -4.322 605 HB3 TYR 78 1HB TYR 78 0.590 6.078 -3.627 606 HD1 TYR 78 HD1 TYR 78 -2.387 8.080 -3.431 607 HD2 TYR 78 HD2 TYR 78 1.799 8.133 -2.558 608 HE1 TYR 78 HE1 TYR 78 -2.731 9.925 -1.879 609 HE2 TYR 78 HE2 TYR 78 1.441 9.978 -0.988 610 HH TYR 78 HH TYR 78 -1.686 10.919 -0.001 611 H ILE 79 H ILE 79 0.867 6.958 -7.991 612 HA ILE 79 HA ILE 79 1.454 4.166 -8.030 613 HB ILE 79 HB ILE 79 0.386 5.190 -9.972 614 HG12 ILE 79 2HG1 ILE 79 1.803 4.235 -11.794 615 HG13 ILE 79 1HG1 ILE 79 3.173 4.177 -10.691 616 HG21 ILE 79 1HG2 ILE 79 2.921 6.796 -10.439 617 HG22 ILE 79 2HG2 ILE 79 1.371 7.444 -9.902 618 HG23 ILE 79 3HG2 ILE 79 1.520 6.740 -11.515 619 HD11 ILE 79 1HD1 ILE 79 2.129 2.003 -11.000 620 HD12 ILE 79 2HD1 ILE 79 0.607 2.631 -10.367 621 HD13 ILE 79 3HD1 ILE 79 2.031 2.536 -9.321 622 H ILE 80 H ILE 80 3.117 3.775 -6.699 623 HA ILE 80 HA ILE 80 5.716 5.090 -7.017 624 HB ILE 80 HB ILE 80 4.688 4.653 -4.735 625 HG12 ILE 80 2HG1 ILE 80 7.420 3.354 -5.164 626 HG13 ILE 80 1HG1 ILE 80 7.137 5.085 -5.003 627 HG21 ILE 80 1HG2 ILE 80 3.737 2.419 -5.179 628 HG22 ILE 80 2HG2 ILE 80 4.777 2.407 -3.755 629 HG23 ILE 80 3HG2 ILE 80 5.367 1.742 -5.280 630 HD11 ILE 80 1HD1 ILE 80 7.975 4.150 -2.936 631 HD12 ILE 80 2HD1 ILE 80 6.642 3.000 -2.876 632 HD13 ILE 80 3HD1 ILE 80 6.324 4.729 -2.714 633 H GLY 81 H GLY 81 4.017 2.284 -8.027 634 HA2 GLY 81 2HA GLY 81 5.603 1.427 -10.036 635 HA3 GLY 81 1HA GLY 81 6.322 0.634 -8.638 636 H GLU 82 H GLU 82 5.755 -1.418 -9.388 637 HA GLU 82 HA GLU 82 2.927 -2.139 -8.934 638 HB2 GLU 82 2HB GLU 82 3.157 -3.867 -10.741 639 HB3 GLU 82 1HB GLU 82 3.219 -2.205 -11.325 640 HG2 GLU 82 2HG GLU 82 5.691 -2.350 -11.462 641 HG3 GLU 82 1HG GLU 82 5.610 -4.025 -10.912 642 H LEU 83 H LEU 83 2.606 -4.056 -7.876 643 HA LEU 83 HA LEU 83 4.721 -5.173 -6.310 644 HB2 LEU 83 2HB LEU 83 2.212 -4.849 -5.659 645 HB3 LEU 83 1HB LEU 83 1.904 -6.312 -6.568 646 HG LEU 83 HG LEU 83 2.068 -6.590 -4.050 647 HD11 LEU 83 1HD1 LEU 83 4.093 -8.241 -5.548 648 HD12 LEU 83 2HD1 LEU 83 2.358 -8.541 -5.472 649 HD13 LEU 83 3HD1 LEU 83 3.329 -8.643 -4.004 650 HD21 LEU 83 1HD2 LEU 83 3.872 -4.969 -3.655 651 HD22 LEU 83 2HD2 LEU 83 5.024 -6.054 -4.438 652 HD23 LEU 83 3HD2 LEU 83 4.224 -6.541 -2.944 653 H HIS 84 H HIS 84 5.630 -7.184 -6.530 654 HA HIS 84 HA HIS 84 6.070 -8.180 -9.127 655 HB2 HIS 84 2HB HIS 84 7.631 -8.257 -7.073 656 HB3 HIS 84 1HB HIS 84 6.674 -9.620 -6.507 657 HD1 HIS 84 HD1 HIS 84 8.014 -11.673 -6.909 658 HD2 HIS 84 HD2 HIS 84 8.399 -8.929 -10.008 659 HE1 HIS 84 HE1 HIS 84 9.500 -12.773 -8.602 660 HE2 HIS 84 HE2 HIS 84 9.894 -11.005 -10.343 661 HA PRO 85 HA PRO 85 2.216 -10.584 -9.515 662 HB2 PRO 85 2HB PRO 85 3.000 -12.279 -11.600 663 HB3 PRO 85 1HB PRO 85 2.492 -10.591 -11.832 664 HG2 PRO 85 2HG PRO 85 5.286 -11.687 -11.581 665 HG3 PRO 85 1HG PRO 85 4.639 -10.533 -12.771 666 HD2 PRO 85 2HD PRO 85 6.044 -9.620 -10.704 667 HD3 PRO 85 1HD PRO 85 4.573 -8.751 -11.205 668 H ASP 86 H ASP 86 5.283 -12.028 -8.881 669 HA ASP 86 HA ASP 86 4.351 -14.670 -8.222 670 HB2 ASP 86 2HB ASP 86 6.603 -14.232 -9.149 671 HB3 ASP 86 1HB ASP 86 7.004 -13.267 -7.735 672 H ASP 87 H ASP 87 5.256 -11.713 -6.461 673 HA ASP 87 HA ASP 87 5.384 -12.976 -3.883 674 HB2 ASP 87 2HB ASP 87 5.754 -10.173 -4.899 675 HB3 ASP 87 1HB ASP 87 5.431 -10.380 -3.180 676 H ARG 88 H ARG 88 2.903 -11.165 -5.577 677 HA ARG 88 HA ARG 88 1.120 -10.852 -3.397 678 HB2 ARG 88 2HB ARG 88 -0.609 -10.502 -5.144 679 HB3 ARG 88 1HB ARG 88 0.842 -9.564 -5.441 680 HG2 ARG 88 2HG ARG 88 0.527 -10.315 -7.586 681 HG3 ARG 88 1HG ARG 88 1.440 -11.698 -6.988 682 HD2 ARG 88 2HD ARG 88 -0.837 -12.756 -6.422 683 HD3 ARG 88 1HD ARG 88 -1.557 -11.467 -7.387 684 HE ARG 88 HE ARG 88 0.235 -12.499 -9.110 685 HH11 ARG 88 1HH1 ARG 88 -2.233 -14.032 -7.103 686 HH12 ARG 88 2HH1 ARG 88 -2.462 -15.361 -8.194 687 HH21 ARG 88 1HH2 ARG 88 -0.016 -14.319 -10.463 688 HH22 ARG 88 2HH2 ARG 88 -1.208 -15.518 -10.088 689 H SER 89 H SER 89 1.912 -13.523 -5.475 690 HA SER 89 HA SER 89 -0.243 -15.256 -4.583 691 HB2 SER 89 2HB SER 89 0.539 -15.345 -6.929 692 HB3 SER 89 1HB SER 89 2.149 -15.819 -6.390 693 HG SER 89 HG SER 89 1.442 -17.789 -5.947 694 H LYS 90 H LYS 90 3.144 -14.629 -3.790 695 HA LYS 90 HA LYS 90 3.667 -16.945 -2.207 696 HB2 LYS 90 2HB LYS 90 4.854 -14.143 -2.205 697 HB3 LYS 90 1HB LYS 90 5.390 -15.361 -1.057 698 HG2 LYS 90 2HG LYS 90 6.272 -16.746 -2.802 699 HG3 LYS 90 1HG LYS 90 5.507 -15.766 -4.055 700 HD2 LYS 90 2HD LYS 90 7.948 -15.326 -3.869 701 HD3 LYS 90 1HD LYS 90 6.975 -13.890 -3.566 702 HE2 LYS 90 2HE LYS 90 7.320 -14.179 -1.130 703 HE3 LYS 90 1HE LYS 90 8.302 -15.611 -1.442 704 HZ1 LYS 90 1HZ LYS 90 9.852 -14.225 -2.678 705 HZ2 LYS 90 2HZ LYS 90 9.677 -13.669 -1.090 706 HZ3 LYS 90 3HZ LYS 90 8.911 -12.851 -2.361 707 H ILE 91 H ILE 91 3.117 -13.612 -1.110 708 HA ILE 91 HA ILE 91 1.910 -14.556 1.405 709 HB ILE 91 HB ILE 91 2.862 -11.742 0.662 710 HG12 ILE 91 2HG1 ILE 91 4.361 -13.836 2.317 711 HG13 ILE 91 1HG1 ILE 91 4.726 -13.450 0.639 712 HG21 ILE 91 1HG2 ILE 91 1.207 -11.767 2.497 713 HG22 ILE 91 2HG2 ILE 91 2.796 -11.295 3.099 714 HG23 ILE 91 3HG2 ILE 91 2.195 -12.929 3.389 715 HD11 ILE 91 1HD1 ILE 91 4.972 -11.553 2.979 716 HD12 ILE 91 2HD1 ILE 91 5.353 -11.175 1.293 717 HD13 ILE 91 3HD1 ILE 91 6.289 -12.391 2.161 718 H ALA 92 H ALA 92 0.034 -15.188 0.062 719 HA ALA 92 HA ALA 92 -1.646 -13.270 -1.222 720 HB1 ALA 92 1HB ALA 92 -3.356 -15.034 -1.237 721 HB2 ALA 92 2HB ALA 92 -2.396 -15.993 -0.105 722 HB3 ALA 92 3HB ALA 92 -1.787 -15.677 -1.731 723 H LYS 93 H LYS 93 -1.208 -14.253 2.077 724 HA LYS 93 HA LYS 93 -2.442 -11.823 2.966 725 HB2 LYS 93 2HB LYS 93 -3.974 -12.755 4.620 726 HB3 LYS 93 1HB LYS 93 -4.422 -13.361 3.037 727 HG2 LYS 93 2HG LYS 93 -2.858 -14.955 5.103 728 HG3 LYS 93 1HG LYS 93 -4.604 -15.049 4.886 729 HD2 LYS 93 2HD LYS 93 -2.502 -15.809 2.821 730 HD3 LYS 93 1HD LYS 93 -3.446 -16.934 3.800 731 HE2 LYS 93 2HE LYS 93 -4.624 -15.002 1.764 732 HE3 LYS 93 1HE LYS 93 -4.294 -16.707 1.462 733 HZ1 LYS 93 1HZ LYS 93 -6.615 -16.257 2.026 734 HZ2 LYS 93 2HZ LYS 93 -6.144 -15.697 3.549 735 HZ3 LYS 93 3HZ LYS 93 -5.880 -17.309 3.126 736 HA PRO 94 HA PRO 94 1.162 -12.315 5.744 737 HB2 PRO 94 2HB PRO 94 -0.293 -10.151 7.266 738 HB3 PRO 94 1HB PRO 94 1.404 -10.208 6.732 739 HG2 PRO 94 2HG PRO 94 -0.284 -8.661 5.433 740 HG3 PRO 94 1HG PRO 94 0.873 -9.646 4.513 741 HD2 PRO 94 2HD PRO 94 -2.059 -10.189 5.034 742 HD3 PRO 94 1HD PRO 94 -1.152 -10.315 3.507 743 H SER 95 H SER 95 0.958 -14.195 6.777 744 HA SER 95 HA SER 95 -1.319 -14.990 8.320 745 HB2 SER 95 2HB SER 95 1.417 -16.330 8.123 746 HB3 SER 95 1HB SER 95 -0.103 -17.093 8.604 747 HG SER 95 HG SER 95 -0.065 -15.823 6.124 748 H GLU 96 H GLU 96 -1.474 -15.249 10.557 749 HA GLU 96 HA GLU 96 -0.053 -13.386 12.202 750 HB2 GLU 96 2HB GLU 96 -1.914 -15.634 13.084 751 HB3 GLU 96 1HB GLU 96 -1.459 -14.215 14.032 752 HG2 GLU 96 2HG GLU 96 -2.620 -12.763 12.384 753 HG3 GLU 96 1HG GLU 96 -3.104 -14.195 11.474 754 H THR 97 H THR 97 -0.092 -16.931 11.928 755 HA THR 97 HA THR 97 1.953 -17.360 13.922 756 HB THR 97 HB THR 97 0.225 -19.064 13.600 757 HG1 THR 97 HG1 THR 97 2.764 -20.062 12.761 758 HG21 THR 97 1HG2 THR 97 0.142 -20.507 11.599 759 HG22 THR 97 2HG2 THR 97 1.374 -19.514 10.820 760 HG23 THR 97 3HG2 THR 97 -0.209 -18.828 11.178 761 H LEU 98 H LEU 98 1.983 -16.680 10.501 762 HA LEU 98 HA LEU 98 4.882 -17.335 10.330 763 HB2 LEU 98 2HB LEU 98 2.832 -17.582 8.083 764 HB3 LEU 98 1HB LEU 98 4.549 -17.914 7.946 765 HG LEU 98 HG LEU 98 2.569 -19.522 9.613 766 HD11 LEU 98 1HD1 LEU 98 2.191 -19.855 7.226 767 HD12 LEU 98 2HD1 LEU 98 2.865 -21.304 7.963 768 HD13 LEU 98 3HD1 LEU 98 3.897 -20.255 6.986 769 HD21 LEU 98 1HD2 LEU 98 5.517 -20.062 9.097 770 HD22 LEU 98 2HD2 LEU 98 4.399 -21.122 9.961 771 HD23 LEU 98 3HD2 LEU 98 4.802 -19.546 10.630 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 18.296 -4.688 -9.045 2 H2 ALA 1 2H ALA 1 17.635 -6.018 -8.233 3 H3 ALA 1 3H ALA 1 17.108 -4.457 -7.864 4 HA ALA 1 HA ALA 1 16.758 -5.792 -10.476 5 HB1 ALA 1 1HB ALA 1 14.367 -5.975 -9.868 6 HB2 ALA 1 2HB ALA 1 14.720 -5.300 -8.275 7 HB3 ALA 1 3HB ALA 1 15.385 -6.868 -8.733 8 H GLU 2 H GLU 2 17.485 -3.933 -11.570 9 HA GLU 2 HA GLU 2 15.777 -1.528 -11.364 10 HB2 GLU 2 2HB GLU 2 18.693 -1.719 -12.217 11 HB3 GLU 2 1HB GLU 2 17.701 -0.273 -12.419 12 HG2 GLU 2 2HG GLU 2 17.307 -0.303 -9.910 13 HG3 GLU 2 1HG GLU 2 18.506 -1.591 -9.803 14 H GLN 3 H GLN 3 14.267 -2.376 -12.618 15 HA GLN 3 HA GLN 3 14.526 -3.390 -15.261 16 HB2 GLN 3 2HB GLN 3 12.081 -3.183 -15.369 17 HB3 GLN 3 1HB GLN 3 12.540 -3.844 -13.810 18 HG2 GLN 3 2HG GLN 3 11.818 -0.931 -14.256 19 HG3 GLN 3 1HG GLN 3 10.656 -2.161 -13.777 20 HE21 GLN 3 1HE2 GLN 3 11.379 0.259 -12.363 21 HE22 GLN 3 2HE2 GLN 3 11.982 -0.228 -10.818 22 H SER 4 H SER 4 13.682 -2.351 -17.206 23 HA SER 4 HA SER 4 14.802 0.137 -17.856 24 HB2 SER 4 2HB SER 4 13.466 -0.093 -19.984 25 HB3 SER 4 1HB SER 4 14.371 -1.550 -19.567 26 HG SER 4 HG SER 4 11.604 -1.061 -19.439 27 H ASP 5 H ASP 5 11.565 -0.742 -16.783 28 HA ASP 5 HA ASP 5 10.514 1.980 -16.997 29 HB2 ASP 5 2HB ASP 5 9.214 -0.502 -15.761 30 HB3 ASP 5 1HB ASP 5 8.402 1.005 -16.187 31 H LYS 6 H LYS 6 12.381 2.663 -15.580 32 HA LYS 6 HA LYS 6 12.825 1.601 -13.008 33 HB2 LYS 6 2HB LYS 6 14.470 2.866 -14.484 34 HB3 LYS 6 1HB LYS 6 13.680 4.357 -13.980 35 HG2 LYS 6 2HG LYS 6 14.288 3.853 -11.620 36 HG3 LYS 6 1HG LYS 6 15.090 2.376 -12.160 37 HD2 LYS 6 2HD LYS 6 16.666 3.790 -13.529 38 HD3 LYS 6 1HD LYS 6 15.902 5.234 -12.855 39 HE2 LYS 6 2HE LYS 6 16.583 4.543 -10.594 40 HE3 LYS 6 1HE LYS 6 17.320 3.082 -11.251 41 HZ1 LYS 6 1HZ LYS 6 19.028 4.637 -10.901 42 HZ2 LYS 6 2HZ LYS 6 18.171 5.886 -11.650 43 HZ3 LYS 6 3HZ LYS 6 18.771 4.606 -12.575 44 H ASP 7 H ASP 7 10.787 4.263 -14.107 45 HA ASP 7 HA ASP 7 10.160 5.455 -11.618 46 HB2 ASP 7 2HB ASP 7 8.502 5.282 -14.177 47 HB3 ASP 7 1HB ASP 7 8.080 6.295 -12.797 48 H VAL 8 H VAL 8 8.689 2.754 -13.386 49 HA VAL 8 HA VAL 8 6.754 2.206 -11.259 50 HB VAL 8 HB VAL 8 7.200 0.586 -13.806 51 HG11 VAL 8 1HG1 VAL 8 5.906 -0.581 -12.060 52 HG12 VAL 8 2HG1 VAL 8 4.877 -0.189 -13.439 53 HG13 VAL 8 3HG1 VAL 8 4.784 0.778 -11.962 54 HG21 VAL 8 1HG2 VAL 8 6.724 2.914 -14.445 55 HG22 VAL 8 2HG2 VAL 8 5.288 2.920 -13.419 56 HG23 VAL 8 3HG2 VAL 8 5.353 1.870 -14.837 57 H LYS 9 H LYS 9 7.945 1.513 -9.547 58 HA LYS 9 HA LYS 9 10.286 -0.169 -9.834 59 HB2 LYS 9 2HB LYS 9 8.939 0.935 -7.333 60 HB3 LYS 9 1HB LYS 9 10.554 0.233 -7.418 61 HG2 LYS 9 2HG LYS 9 11.341 2.090 -8.794 62 HG3 LYS 9 1HG LYS 9 9.708 2.753 -8.889 63 HD2 LYS 9 2HD LYS 9 11.081 3.997 -7.268 64 HD3 LYS 9 1HD LYS 9 9.720 3.202 -6.476 65 HE2 LYS 9 2HE LYS 9 11.749 2.998 -5.125 66 HE3 LYS 9 1HE LYS 9 11.244 1.408 -5.695 67 HZ1 LYS 9 1HZ LYS 9 13.621 1.710 -5.894 68 HZ2 LYS 9 2HZ LYS 9 13.406 3.074 -6.869 69 HZ3 LYS 9 3HZ LYS 9 12.929 1.552 -7.432 70 H TYR 10 H TYR 10 10.322 -2.323 -9.583 71 HA TYR 10 HA TYR 10 7.965 -3.858 -8.940 72 HB2 TYR 10 2HB TYR 10 10.831 -4.618 -9.625 73 HB3 TYR 10 1HB TYR 10 9.658 -5.826 -9.113 74 HD1 TYR 10 HD1 TYR 10 8.781 -7.068 -10.868 75 HD2 TYR 10 HD2 TYR 10 9.683 -2.953 -11.573 76 HE1 TYR 10 HE1 TYR 10 8.025 -7.294 -13.197 77 HE2 TYR 10 HE2 TYR 10 8.929 -3.178 -13.894 78 HH TYR 10 HH TYR 10 7.110 -5.713 -15.002 79 H TYR 11 H TYR 11 7.496 -3.226 -6.809 80 HA TYR 11 HA TYR 11 9.352 -3.703 -4.639 81 HB2 TYR 11 2HB TYR 11 6.489 -2.770 -4.851 82 HB3 TYR 11 1HB TYR 11 7.005 -3.453 -3.311 83 HD1 TYR 11 HD1 TYR 11 8.346 -2.209 -1.815 84 HD2 TYR 11 HD2 TYR 11 7.746 -0.729 -5.779 85 HE1 TYR 11 HE1 TYR 11 9.390 -0.093 -1.181 86 HE2 TYR 11 HE2 TYR 11 8.801 1.394 -5.139 87 HH TYR 11 HH TYR 11 10.455 1.793 -2.112 88 H THR 12 H THR 12 9.225 -5.336 -3.119 89 HA THR 12 HA THR 12 7.700 -7.758 -3.869 90 HB THR 12 HB THR 12 9.306 -8.985 -2.381 91 HG1 THR 12 HG1 THR 12 10.028 -6.453 -1.728 92 HG21 THR 12 1HG2 THR 12 10.636 -7.382 -4.596 93 HG22 THR 12 2HG2 THR 12 9.759 -8.904 -4.798 94 HG23 THR 12 3HG2 THR 12 11.268 -8.866 -3.883 95 H LEU 13 H LEU 13 6.187 -8.473 -2.501 96 HA LEU 13 HA LEU 13 5.186 -6.870 -0.415 97 HB2 LEU 13 2HB LEU 13 3.995 -8.602 -1.989 98 HB3 LEU 13 1HB LEU 13 4.431 -9.781 -0.768 99 HG LEU 13 HG LEU 13 3.016 -8.701 0.895 100 HD11 LEU 13 1HD1 LEU 13 3.481 -6.354 0.348 101 HD12 LEU 13 2HD1 LEU 13 1.747 -6.647 0.452 102 HD13 LEU 13 3HD1 LEU 13 2.520 -6.491 -1.131 103 HD21 LEU 13 1HD2 LEU 13 1.515 -8.800 -1.744 104 HD22 LEU 13 2HD2 LEU 13 0.799 -8.904 -0.132 105 HD23 LEU 13 3HD2 LEU 13 1.861 -10.188 -0.709 106 H GLU 14 H GLU 14 7.544 -9.392 -0.498 107 HA GLU 14 HA GLU 14 7.911 -10.144 2.143 108 HB2 GLU 14 2HB GLU 14 9.159 -11.081 0.247 109 HB3 GLU 14 1HB GLU 14 9.963 -9.547 -0.038 110 HG2 GLU 14 2HG GLU 14 10.345 -10.877 2.631 111 HG3 GLU 14 1HG GLU 14 11.168 -11.571 1.238 112 H GLU 15 H GLU 15 9.393 -7.320 0.494 113 HA GLU 15 HA GLU 15 10.558 -6.088 2.733 114 HB2 GLU 15 2HB GLU 15 9.565 -4.958 0.093 115 HB3 GLU 15 1HB GLU 15 10.328 -3.928 1.299 116 HG2 GLU 15 2HG GLU 15 11.631 -6.333 0.003 117 HG3 GLU 15 1HG GLU 15 11.858 -4.663 -0.515 118 H ILE 16 H ILE 16 7.345 -5.737 1.306 119 HA ILE 16 HA ILE 16 6.596 -3.446 2.833 120 HB ILE 16 HB ILE 16 4.742 -5.319 1.304 121 HG12 ILE 16 2HG1 ILE 16 6.346 -2.948 0.249 122 HG13 ILE 16 1HG1 ILE 16 6.552 -4.632 -0.212 123 HG21 ILE 16 1HG2 ILE 16 3.285 -3.355 1.097 124 HG22 ILE 16 2HG2 ILE 16 4.463 -2.372 1.969 125 HG23 ILE 16 3HG2 ILE 16 3.629 -3.684 2.796 126 HD11 ILE 16 1HD1 ILE 16 4.300 -4.612 -1.176 127 HD12 ILE 16 2HD1 ILE 16 5.388 -3.445 -1.926 128 HD13 ILE 16 3HD1 ILE 16 4.165 -2.897 -0.779 129 H GLN 17 H GLN 17 6.368 -6.895 3.289 130 HA GLN 17 HA GLN 17 4.354 -7.035 5.288 131 HB2 GLN 17 2HB GLN 17 5.093 -9.012 4.027 132 HB3 GLN 17 1HB GLN 17 6.709 -8.887 4.694 133 HG2 GLN 17 2HG GLN 17 4.495 -9.212 6.676 134 HG3 GLN 17 1HG GLN 17 4.802 -10.588 5.629 135 HE21 GLN 17 1HE2 GLN 17 5.476 -11.857 7.411 136 HE22 GLN 17 2HE2 GLN 17 7.011 -11.620 8.164 137 H LYS 18 H LYS 18 7.788 -6.297 5.358 138 HA LYS 18 HA LYS 18 8.068 -6.507 8.255 139 HB2 LYS 18 2HB LYS 18 10.012 -5.667 6.056 140 HB3 LYS 18 1HB LYS 18 10.451 -5.881 7.750 141 HG2 LYS 18 2HG LYS 18 9.906 -8.255 7.641 142 HG3 LYS 18 1HG LYS 18 9.326 -8.078 5.984 143 HD2 LYS 18 2HD LYS 18 11.600 -7.528 5.222 144 HD3 LYS 18 1HD LYS 18 12.199 -7.607 6.881 145 HE2 LYS 18 2HE LYS 18 11.719 -9.999 6.981 146 HE3 LYS 18 1HE LYS 18 10.968 -9.947 5.383 147 HZ1 LYS 18 1HZ LYS 18 13.100 -9.322 4.445 148 HZ2 LYS 18 2HZ LYS 18 13.211 -10.798 5.259 149 HZ3 LYS 18 3HZ LYS 18 13.830 -9.396 5.971 150 H HIS 19 H HIS 19 6.189 -4.521 7.302 151 HA HIS 19 HA HIS 19 7.343 -1.890 7.585 152 HB2 HIS 19 2HB HIS 19 5.017 -1.074 7.302 153 HB3 HIS 19 1HB HIS 19 5.475 -2.203 6.036 154 HD1 HIS 19 HD1 HIS 19 4.557 -4.778 6.537 155 HD2 HIS 19 HD2 HIS 19 2.555 -1.649 8.369 156 HE1 HIS 19 HE1 HIS 19 2.403 -5.743 7.322 157 HE2 HIS 19 HE2 HIS 19 1.306 -3.892 8.599 158 H LYS 20 H LYS 20 8.228 -1.794 9.631 159 HA LYS 20 HA LYS 20 6.343 -1.572 11.914 160 HB2 LYS 20 2HB LYS 20 9.374 -1.652 11.776 161 HB3 LYS 20 1HB LYS 20 8.557 -1.013 13.195 162 HG2 LYS 20 2HG LYS 20 9.127 -3.265 13.683 163 HG3 LYS 20 1HG LYS 20 7.379 -3.219 13.445 164 HD2 LYS 20 2HD LYS 20 7.638 -4.193 11.193 165 HD3 LYS 20 1HD LYS 20 9.395 -4.143 11.356 166 HE2 LYS 20 2HE LYS 20 9.185 -5.708 13.317 167 HE3 LYS 20 1HE LYS 20 7.462 -5.832 12.967 168 HZ1 LYS 20 1HZ LYS 20 7.998 -6.748 10.811 169 HZ2 LYS 20 2HZ LYS 20 8.718 -7.666 12.039 170 HZ3 LYS 20 3HZ LYS 20 9.653 -6.600 11.122 171 H ASP 21 H ASP 21 8.654 0.204 9.927 172 HA ASP 21 HA ASP 21 7.839 2.802 11.005 173 HB2 ASP 21 2HB ASP 21 9.988 1.960 8.995 174 HB3 ASP 21 1HB ASP 21 9.611 3.649 9.338 175 H SER 22 H SER 22 6.713 4.265 9.858 176 HA SER 22 HA SER 22 4.840 3.567 7.914 177 HB2 SER 22 2HB SER 22 5.928 6.359 8.488 178 HB3 SER 22 1HB SER 22 4.367 5.964 7.764 179 HG SER 22 HG SER 22 4.000 4.764 9.795 180 H LYS 23 H LYS 23 8.136 4.721 7.592 181 HA LYS 23 HA LYS 23 7.959 5.490 4.822 182 HB2 LYS 23 2HB LYS 23 10.404 5.854 4.992 183 HB3 LYS 23 1HB LYS 23 9.513 6.648 6.275 184 HG2 LYS 23 2HG LYS 23 11.307 5.812 7.473 185 HG3 LYS 23 1HG LYS 23 10.152 4.496 7.680 186 HD2 LYS 23 2HD LYS 23 12.387 3.606 7.154 187 HD3 LYS 23 1HD LYS 23 11.261 3.239 5.843 188 HE2 LYS 23 2HE LYS 23 12.176 5.200 4.572 189 HE3 LYS 23 1HE LYS 23 13.338 5.459 5.872 190 HZ1 LYS 23 1HZ LYS 23 13.151 3.030 4.186 191 HZ2 LYS 23 2HZ LYS 23 14.262 3.280 5.436 192 HZ3 LYS 23 3HZ LYS 23 14.314 4.248 4.053 193 H SER 24 H SER 24 8.197 2.538 6.399 194 HA SER 24 HA SER 24 9.076 1.098 3.963 195 HB2 SER 24 2HB SER 24 8.980 0.089 6.848 196 HB3 SER 24 1HB SER 24 9.670 -0.755 5.455 197 HG SER 24 HG SER 24 11.033 1.246 5.309 198 H THR 25 H THR 25 6.325 2.244 4.849 199 HA THR 25 HA THR 25 4.729 -0.243 4.930 200 HB THR 25 HB THR 25 3.963 2.567 5.844 201 HG1 THR 25 HG1 THR 25 5.464 1.012 7.101 202 HG21 THR 25 1HG2 THR 25 1.988 1.348 5.014 203 HG22 THR 25 2HG2 THR 25 1.919 1.511 6.771 204 HG23 THR 25 3HG2 THR 25 2.389 -0.029 6.045 205 H TRP 26 H TRP 26 3.914 -0.748 3.017 206 HA TRP 26 HA TRP 26 2.706 1.273 1.245 207 HB2 TRP 26 2HB TRP 26 4.428 -1.067 0.278 208 HB3 TRP 26 1HB TRP 26 3.643 0.127 -0.752 209 HD1 TRP 26 HD TRP 26 4.601 2.756 -0.372 210 HE1 TRP 26 HE1 TRP 26 7.001 3.546 0.040 211 HE3 TRP 26 HE3 TRP 26 6.623 -1.635 1.239 212 HZ2 TRP 26 HZ2 TRP 26 9.443 2.457 0.917 213 HZ3 TRP 26 HZ3 TRP 26 9.010 -1.691 1.844 214 HH2 TRP 26 HH TRP 26 10.394 0.322 1.686 215 H VAL 27 H VAL 27 1.211 0.102 -0.371 216 HA VAL 27 HA VAL 27 -0.051 -2.329 0.758 217 HB VAL 27 HB VAL 27 -2.336 -1.330 0.288 218 HG11 VAL 27 1HG1 VAL 27 -0.750 -0.059 2.526 219 HG12 VAL 27 2HG1 VAL 27 -1.607 -1.599 2.571 220 HG13 VAL 27 3HG1 VAL 27 -2.511 -0.092 2.413 221 HG21 VAL 27 1HG2 VAL 27 -2.588 1.133 0.198 222 HG22 VAL 27 2HG2 VAL 27 -1.655 0.536 -1.175 223 HG23 VAL 27 3HG2 VAL 27 -0.830 1.320 0.175 224 H ILE 28 H ILE 28 -1.436 -3.489 -0.731 225 HA ILE 28 HA ILE 28 -0.965 -2.883 -3.587 226 HB ILE 28 HB ILE 28 -0.371 -5.189 -4.084 227 HG12 ILE 28 2HG1 ILE 28 0.214 -6.634 -1.779 228 HG13 ILE 28 1HG1 ILE 28 -1.241 -5.795 -1.270 229 HG21 ILE 28 1HG2 ILE 28 1.474 -3.729 -3.511 230 HG22 ILE 28 2HG2 ILE 28 1.814 -5.339 -2.880 231 HG23 ILE 28 3HG2 ILE 28 1.271 -4.071 -1.790 232 HD11 ILE 28 1HD1 ILE 28 -1.011 -7.578 -3.691 233 HD12 ILE 28 2HD1 ILE 28 -2.481 -6.796 -3.103 234 HD13 ILE 28 3HD1 ILE 28 -1.688 -8.034 -2.128 235 H LEU 29 H LEU 29 -2.728 -3.001 -4.826 236 HA LEU 29 HA LEU 29 -5.302 -3.591 -3.705 237 HB2 LEU 29 2HB LEU 29 -4.377 -2.752 -6.463 238 HB3 LEU 29 1HB LEU 29 -6.023 -3.296 -6.230 239 HG LEU 29 HG LEU 29 -5.846 -0.827 -6.250 240 HD11 LEU 29 1HD1 LEU 29 -7.189 -0.340 -4.284 241 HD12 LEU 29 2HD1 LEU 29 -6.729 -1.879 -3.557 242 HD13 LEU 29 3HD1 LEU 29 -7.693 -1.852 -5.035 243 HD21 LEU 29 1HD2 LEU 29 -4.788 0.424 -4.437 244 HD22 LEU 29 2HD2 LEU 29 -3.605 -0.578 -5.275 245 HD23 LEU 29 3HD2 LEU 29 -4.220 -1.080 -3.704 246 H HIS 30 H HIS 30 -3.044 -5.279 -5.794 247 HA HIS 30 HA HIS 30 -3.824 -7.835 -5.057 248 HB2 HIS 30 2HB HIS 30 -5.903 -7.402 -6.423 249 HB3 HIS 30 1HB HIS 30 -4.896 -7.160 -7.847 250 HD1 HIS 30 HD1 HIS 30 -5.239 -9.179 -9.273 251 HD2 HIS 30 HD2 HIS 30 -4.888 -10.190 -5.259 252 HE1 HIS 30 HE1 HIS 30 -5.248 -11.675 -9.193 253 HE2 HIS 30 HE2 HIS 30 -4.837 -12.256 -6.792 254 H HIS 31 H HIS 31 -2.488 -5.803 -7.563 255 HA HIS 31 HA HIS 31 -0.378 -7.778 -8.233 256 HB2 HIS 31 2HB HIS 31 -2.232 -7.835 -9.909 257 HB3 HIS 31 1HB HIS 31 -2.019 -6.112 -10.201 258 HD1 HIS 31 HD1 HIS 31 -0.526 -9.456 -10.930 259 HD2 HIS 31 HD2 HIS 31 0.211 -5.473 -11.841 260 HE1 HIS 31 HE1 HIS 31 1.133 -9.482 -12.801 261 HE2 HIS 31 HE2 HIS 31 1.731 -7.079 -13.155 262 H LYS 32 H LYS 32 -1.389 -4.426 -7.979 263 HA LYS 32 HA LYS 32 1.329 -3.443 -8.655 264 HB2 LYS 32 2HB LYS 32 -0.536 -2.709 -10.158 265 HB3 LYS 32 1HB LYS 32 -1.362 -2.007 -8.772 266 HG2 LYS 32 2HG LYS 32 0.462 -0.390 -8.476 267 HG3 LYS 32 1HG LYS 32 1.351 -1.117 -9.814 268 HD2 LYS 32 2HD LYS 32 -1.364 0.240 -10.040 269 HD3 LYS 32 1HD LYS 32 0.178 0.983 -10.460 270 HE2 LYS 32 2HE LYS 32 0.506 -0.736 -12.221 271 HE3 LYS 32 1HE LYS 32 -1.060 -1.443 -11.806 272 HZ1 LYS 32 1HZ LYS 32 -0.609 1.317 -12.821 273 HZ2 LYS 32 2HZ LYS 32 -2.109 0.659 -12.401 274 HZ3 LYS 32 3HZ LYS 32 -1.246 0.021 -13.707 275 H VAL 33 H VAL 33 2.208 -1.760 -7.309 276 HA VAL 33 HA VAL 33 1.178 -1.771 -4.534 277 HB VAL 33 HB VAL 33 3.446 -2.828 -4.792 278 HG11 VAL 33 1HG1 VAL 33 4.397 -0.065 -5.624 279 HG12 VAL 33 2HG1 VAL 33 4.321 -1.485 -6.665 280 HG13 VAL 33 3HG1 VAL 33 5.427 -1.461 -5.294 281 HG21 VAL 33 1HG2 VAL 33 2.813 -1.809 -2.652 282 HG22 VAL 33 2HG2 VAL 33 3.433 -0.245 -3.187 283 HG23 VAL 33 3HG2 VAL 33 4.543 -1.597 -2.945 284 H TYR 34 H TYR 34 0.903 0.119 -3.496 285 HA TYR 34 HA TYR 34 1.489 2.685 -4.827 286 HB2 TYR 34 2HB TYR 34 -1.043 1.860 -3.331 287 HB3 TYR 34 1HB TYR 34 -0.655 3.536 -3.723 288 HD1 TYR 34 HD1 TYR 34 -1.675 0.264 -5.148 289 HD2 TYR 34 HD2 TYR 34 -0.762 4.343 -6.022 290 HE1 TYR 34 HE1 TYR 34 -2.659 0.010 -7.380 291 HE2 TYR 34 HE2 TYR 34 -1.749 4.079 -8.247 292 HH TYR 34 HH TYR 34 -3.643 1.385 -9.112 293 H ASP 35 H ASP 35 2.012 4.371 -3.502 294 HA ASP 35 HA ASP 35 3.543 3.705 -1.222 295 HB2 ASP 35 2HB ASP 35 4.228 5.508 -2.800 296 HB3 ASP 35 1HB ASP 35 2.824 6.459 -2.312 297 H LEU 36 H LEU 36 2.715 3.351 0.690 298 HA LEU 36 HA LEU 36 0.182 4.580 1.544 299 HB2 LEU 36 2HB LEU 36 0.699 2.031 1.565 300 HB3 LEU 36 1HB LEU 36 1.724 2.368 2.938 301 HG LEU 36 HG LEU 36 -0.504 1.432 3.542 302 HD11 LEU 36 1HD1 LEU 36 0.713 2.806 5.159 303 HD12 LEU 36 2HD1 LEU 36 -1.031 2.858 5.356 304 HD13 LEU 36 3HD1 LEU 36 -0.192 4.219 4.614 305 HD21 LEU 36 1HD2 LEU 36 -1.834 2.437 1.759 306 HD22 LEU 36 2HD2 LEU 36 -1.638 4.029 2.489 307 HD23 LEU 36 3HD2 LEU 36 -2.533 2.769 3.341 308 H THR 37 H THR 37 3.596 4.537 2.041 309 HA THR 37 HA THR 37 4.227 5.455 4.480 310 HB THR 37 HB THR 37 5.298 6.347 1.778 311 HG1 THR 37 HG1 THR 37 5.548 4.099 3.253 312 HG21 THR 37 1HG2 THR 37 6.583 6.786 4.498 313 HG22 THR 37 2HG2 THR 37 6.019 8.043 3.393 314 HG23 THR 37 3HG2 THR 37 7.384 7.021 2.944 315 H LYS 38 H LYS 38 3.170 7.584 1.833 316 HA LYS 38 HA LYS 38 2.971 9.882 3.662 317 HB2 LYS 38 2HB LYS 38 4.071 9.766 1.179 318 HB3 LYS 38 1HB LYS 38 2.439 10.171 0.721 319 HG2 LYS 38 2HG LYS 38 3.370 11.945 2.847 320 HG3 LYS 38 1HG LYS 38 4.494 11.935 1.497 321 HD2 LYS 38 2HD LYS 38 2.978 13.743 1.106 322 HD3 LYS 38 1HD LYS 38 2.541 12.468 -0.029 323 HE2 LYS 38 2HE LYS 38 0.645 11.833 1.389 324 HE3 LYS 38 1HE LYS 38 1.119 13.034 2.590 325 HZ1 LYS 38 1HZ LYS 38 0.417 13.741 -0.197 326 HZ2 LYS 38 2HZ LYS 38 0.577 14.778 1.133 327 HZ3 LYS 38 3HZ LYS 38 -0.718 13.694 1.056 328 H PHE 39 H PHE 39 1.035 7.549 1.978 329 HA PHE 39 HA PHE 39 -1.413 8.976 1.823 330 HB2 PHE 39 2HB PHE 39 -0.892 6.928 0.502 331 HB3 PHE 39 1HB PHE 39 -0.975 5.964 1.969 332 HD1 PHE 39 HD1 PHE 39 -3.073 5.048 2.657 333 HD2 PHE 39 HD2 PHE 39 -3.029 8.199 -0.225 334 HE1 PHE 39 HE1 PHE 39 -5.460 4.694 2.244 335 HE2 PHE 39 HE2 PHE 39 -5.426 7.844 -0.622 336 HZ PHE 39 HZ PHE 39 -6.635 6.086 0.607 337 H LEU 40 H LEU 40 0.128 7.216 4.469 338 HA LEU 40 HA LEU 40 -2.214 7.353 6.170 339 HB2 LEU 40 2HB LEU 40 -0.717 6.483 7.960 340 HB3 LEU 40 1HB LEU 40 -0.800 5.481 6.532 341 HG LEU 40 HG LEU 40 1.494 6.555 5.870 342 HD11 LEU 40 1HD1 LEU 40 1.549 7.211 8.826 343 HD12 LEU 40 2HD1 LEU 40 1.540 8.373 7.500 344 HD13 LEU 40 3HD1 LEU 40 2.919 7.299 7.714 345 HD21 LEU 40 1HD2 LEU 40 1.375 4.651 8.233 346 HD22 LEU 40 2HD2 LEU 40 2.754 4.887 7.154 347 HD23 LEU 40 3HD2 LEU 40 1.260 4.205 6.528 348 H GLU 41 H GLU 41 0.606 9.298 5.515 349 HA GLU 41 HA GLU 41 0.284 11.222 7.614 350 HB2 GLU 41 2HB GLU 41 1.640 11.513 4.890 351 HB3 GLU 41 1HB GLU 41 1.841 12.613 6.251 352 HG2 GLU 41 2HG GLU 41 2.614 9.684 6.352 353 HG3 GLU 41 1HG GLU 41 3.724 10.953 5.846 354 H GLU 42 H GLU 42 -1.367 10.580 4.683 355 HA GLU 42 HA GLU 42 -2.449 13.150 4.100 356 HB2 GLU 42 2HB GLU 42 -2.295 11.082 2.547 357 HB3 GLU 42 1HB GLU 42 -3.682 10.445 3.408 358 HG2 GLU 42 2HG GLU 42 -4.405 11.470 1.331 359 HG3 GLU 42 1HG GLU 42 -5.021 12.403 2.697 360 H PHE 43 H PHE 43 -3.223 10.572 6.306 361 HA PHE 43 HA PHE 43 -5.809 11.712 7.104 362 HB2 PHE 43 2HB PHE 43 -4.399 9.237 8.213 363 HB3 PHE 43 1HB PHE 43 -6.095 9.676 8.426 364 HD1 PHE 43 HD1 PHE 43 -7.213 10.218 5.942 365 HD2 PHE 43 HD2 PHE 43 -4.130 7.387 6.793 366 HE1 PHE 43 HE1 PHE 43 -7.792 8.978 3.918 367 HE2 PHE 43 HE2 PHE 43 -4.719 6.166 4.747 368 HZ PHE 43 HZ PHE 43 -6.537 6.968 3.314 369 HA PRO 44 HA PRO 44 -3.862 13.871 10.581 370 HB2 PRO 44 2HB PRO 44 -6.039 14.263 12.208 371 HB3 PRO 44 1HB PRO 44 -5.844 15.139 10.673 372 HG2 PRO 44 2HG PRO 44 -7.493 12.683 11.236 373 HG3 PRO 44 1HG PRO 44 -7.947 14.148 10.329 374 HD2 PRO 44 2HD PRO 44 -7.155 11.867 9.071 375 HD3 PRO 44 1HD PRO 44 -6.800 13.477 8.406 376 H GLY 45 H GLY 45 -2.605 11.923 11.043 377 HA2 GLY 45 2HA GLY 45 -1.710 10.427 12.536 378 HA3 GLY 45 1HA GLY 45 -2.987 10.834 13.677 379 H GLY 46 H GLY 46 -3.073 9.477 10.380 380 HA2 GLY 46 2HA GLY 46 -4.762 7.230 11.333 381 HA3 GLY 46 1HA GLY 46 -4.744 7.889 9.704 382 H GLU 47 H GLU 47 -1.877 7.233 11.587 383 HA GLU 47 HA GLU 47 -0.713 5.544 9.591 384 HB2 GLU 47 2HB GLU 47 0.529 7.186 11.023 385 HB3 GLU 47 1HB GLU 47 0.229 6.171 12.422 386 HG2 GLU 47 2HG GLU 47 1.794 5.250 10.001 387 HG3 GLU 47 1HG GLU 47 2.545 6.038 11.377 388 H GLU 48 H GLU 48 -2.256 5.029 12.724 389 HA GLU 48 HA GLU 48 -1.442 2.253 12.909 390 HB2 GLU 48 2HB GLU 48 -3.195 2.394 14.963 391 HB3 GLU 48 1HB GLU 48 -1.553 2.994 15.067 392 HG2 GLU 48 2HG GLU 48 -3.132 4.553 16.097 393 HG3 GLU 48 1HG GLU 48 -2.306 5.280 14.727 394 H VAL 49 H VAL 49 -4.335 3.917 11.800 395 HA VAL 49 HA VAL 49 -6.213 1.829 12.164 396 HB VAL 49 HB VAL 49 -6.866 4.193 11.827 397 HG11 VAL 49 1HG1 VAL 49 -5.288 4.856 10.078 398 HG12 VAL 49 2HG1 VAL 49 -6.945 5.221 9.592 399 HG13 VAL 49 3HG1 VAL 49 -6.115 3.821 8.908 400 HG21 VAL 49 1HG2 VAL 49 -8.869 3.803 10.436 401 HG22 VAL 49 2HG2 VAL 49 -8.557 2.434 11.505 402 HG23 VAL 49 3HG2 VAL 49 -8.143 2.326 9.794 403 H LEU 50 H LEU 50 -3.877 2.353 9.655 404 HA LEU 50 HA LEU 50 -5.013 0.215 7.947 405 HB2 LEU 50 2HB LEU 50 -3.522 1.393 6.133 406 HB3 LEU 50 1HB LEU 50 -5.077 2.074 6.558 407 HG LEU 50 HG LEU 50 -3.957 3.785 7.980 408 HD11 LEU 50 1HD1 LEU 50 -1.358 2.632 6.967 409 HD12 LEU 50 2HD1 LEU 50 -1.947 2.605 8.625 410 HD13 LEU 50 3HD1 LEU 50 -1.537 4.139 7.869 411 HD21 LEU 50 1HD2 LEU 50 -2.956 3.718 5.119 412 HD22 LEU 50 2HD2 LEU 50 -3.000 5.142 6.164 413 HD23 LEU 50 3HD2 LEU 50 -4.502 4.362 5.682 414 H ARG 51 H ARG 51 -2.573 0.893 10.108 415 HA ARG 51 HA ARG 51 -0.209 -0.072 8.982 416 HB2 ARG 51 2HB ARG 51 -0.378 1.217 11.078 417 HB3 ARG 51 1HB ARG 51 -1.162 -0.136 11.876 418 HG2 ARG 51 2HG ARG 51 0.922 -1.445 11.722 419 HG3 ARG 51 1HG ARG 51 1.692 -0.129 10.827 420 HD2 ARG 51 2HD ARG 51 1.381 1.369 12.789 421 HD3 ARG 51 1HD ARG 51 0.669 0.026 13.685 422 HE ARG 51 HE ARG 51 2.931 -1.096 13.276 423 HH11 ARG 51 1HH1 ARG 51 2.579 2.370 13.702 424 HH12 ARG 51 2HH1 ARG 51 4.166 2.570 14.369 425 HH21 ARG 51 1HH2 ARG 51 4.986 -0.824 14.207 426 HH22 ARG 51 2HH2 ARG 51 5.524 0.759 14.655 427 H GLU 52 H GLU 52 -2.817 -1.821 10.644 428 HA GLU 52 HA GLU 52 -1.502 -4.387 10.655 429 HB2 GLU 52 2HB GLU 52 -4.448 -3.753 11.095 430 HB3 GLU 52 1HB GLU 52 -3.617 -5.243 11.545 431 HG2 GLU 52 2HG GLU 52 -2.220 -3.977 13.150 432 HG3 GLU 52 1HG GLU 52 -3.072 -2.494 12.716 433 H GLN 53 H GLN 53 -3.578 -2.648 8.473 434 HA GLN 53 HA GLN 53 -4.358 -4.965 6.880 435 HB2 GLN 53 2HB GLN 53 -4.909 -1.991 6.542 436 HB3 GLN 53 1HB GLN 53 -5.599 -3.258 5.530 437 HG2 GLN 53 2HG GLN 53 -6.807 -4.175 7.453 438 HG3 GLN 53 1HG GLN 53 -6.069 -2.976 8.517 439 HE21 GLN 53 1HE2 GLN 53 -6.807 -0.824 8.412 440 HE22 GLN 53 2HE2 GLN 53 -8.273 -0.391 7.612 441 H ALA 54 H ALA 54 -1.852 -2.593 6.895 442 HA ALA 54 HA ALA 54 -1.184 -2.616 4.087 443 HB1 ALA 54 1HB ALA 54 -0.628 -0.690 5.531 444 HB2 ALA 54 2HB ALA 54 0.825 -1.366 4.793 445 HB3 ALA 54 3HB ALA 54 0.455 -1.707 6.487 446 H GLY 55 H GLY 55 1.029 -3.370 3.341 447 HA2 GLY 55 2HA GLY 55 2.537 -5.080 2.970 448 HA3 GLY 55 1HA GLY 55 2.382 -5.516 4.664 449 H GLY 56 H GLY 56 -0.452 -5.404 2.646 450 HA2 GLY 56 2HA GLY 56 -0.468 -8.129 1.783 451 HA3 GLY 56 1HA GLY 56 -1.400 -7.918 3.258 452 H ASP 57 H ASP 57 -2.656 -5.501 2.912 453 HA ASP 57 HA ASP 57 -4.407 -6.064 0.581 454 HB2 ASP 57 2HB ASP 57 -5.430 -6.845 2.726 455 HB3 ASP 57 1HB ASP 57 -5.320 -5.204 3.356 456 H ALA 58 H ALA 58 -5.323 -4.453 -0.445 457 HA ALA 58 HA ALA 58 -5.608 -1.786 0.632 458 HB1 ALA 58 1HB ALA 58 -4.727 -0.625 -1.304 459 HB2 ALA 58 2HB ALA 58 -4.344 -2.153 -2.101 460 HB3 ALA 58 3HB ALA 58 -3.469 -1.672 -0.655 461 H THR 59 H THR 59 -6.668 -4.466 -1.096 462 HA THR 59 HA THR 59 -8.285 -3.423 -3.137 463 HB THR 59 HB THR 59 -9.181 -5.953 -1.745 464 HG1 THR 59 HG1 THR 59 -7.249 -6.783 -1.729 465 HG21 THR 59 1HG2 THR 59 -9.265 -6.793 -4.067 466 HG22 THR 59 2HG2 THR 59 -8.547 -5.289 -4.648 467 HG23 THR 59 3HG2 THR 59 -10.158 -5.278 -3.920 468 H GLU 60 H GLU 60 -8.887 -4.117 0.257 469 HA GLU 60 HA GLU 60 -11.462 -2.680 0.169 470 HB2 GLU 60 2HB GLU 60 -10.284 -4.491 2.323 471 HB3 GLU 60 1HB GLU 60 -11.837 -3.661 2.441 472 HG2 GLU 60 2HG GLU 60 -12.633 -4.910 0.436 473 HG3 GLU 60 1HG GLU 60 -11.098 -5.775 0.388 474 H ASN 61 H ASN 61 -8.268 -2.809 1.744 475 HA ASN 61 HA ASN 61 -8.646 -0.955 3.795 476 HB2 ASN 61 2HB ASN 61 -6.750 -2.392 3.934 477 HB3 ASN 61 1HB ASN 61 -6.137 -1.890 2.364 478 HD21 ASN 61 1HD2 ASN 61 -4.697 -0.217 2.293 479 HD22 ASN 61 2HD2 ASN 61 -4.216 0.720 3.658 480 H PHE 62 H PHE 62 -7.256 -0.319 0.550 481 HA PHE 62 HA PHE 62 -6.399 2.323 1.016 482 HB2 PHE 62 2HB PHE 62 -5.638 0.783 -0.840 483 HB3 PHE 62 1HB PHE 62 -7.166 1.060 -1.657 484 HD1 PHE 62 HD1 PHE 62 -7.546 3.119 -2.916 485 HD2 PHE 62 HD2 PHE 62 -3.944 2.595 -0.649 486 HE1 PHE 62 HE1 PHE 62 -6.545 5.057 -4.040 487 HE2 PHE 62 HE2 PHE 62 -2.958 4.544 -1.783 488 HZ PHE 62 HZ PHE 62 -4.258 5.771 -3.475 489 H GLU 63 H GLU 63 -9.556 1.075 0.308 490 HA GLU 63 HA GLU 63 -10.701 3.734 -0.256 491 HB2 GLU 63 2HB GLU 63 -11.111 1.780 -1.834 492 HB3 GLU 63 1HB GLU 63 -12.003 0.998 -0.537 493 HG2 GLU 63 2HG GLU 63 -13.677 2.798 -0.567 494 HG3 GLU 63 1HG GLU 63 -12.748 3.662 -1.793 495 H ASP 64 H ASP 64 -10.582 1.181 2.110 496 HA ASP 64 HA ASP 64 -12.922 1.831 3.647 497 HB2 ASP 64 2HB ASP 64 -12.111 -0.423 3.846 498 HB3 ASP 64 1HB ASP 64 -10.464 0.110 4.151 499 H VAL 65 H VAL 65 -9.455 2.169 4.377 500 HA VAL 65 HA VAL 65 -9.859 4.168 6.432 501 HB VAL 65 HB VAL 65 -7.439 4.243 6.664 502 HG11 VAL 65 1HG1 VAL 65 -6.931 1.891 7.170 503 HG12 VAL 65 2HG1 VAL 65 -8.315 1.370 6.204 504 HG13 VAL 65 3HG1 VAL 65 -8.569 2.310 7.677 505 HG21 VAL 65 1HG2 VAL 65 -5.889 2.992 5.166 506 HG22 VAL 65 2HG2 VAL 65 -6.740 4.275 4.308 507 HG23 VAL 65 3HG2 VAL 65 -7.240 2.597 4.106 508 H GLY 66 H GLY 66 -9.188 4.064 3.035 509 HA2 GLY 66 2HA GLY 66 -8.081 6.652 2.666 510 HA3 GLY 66 1HA GLY 66 -8.737 5.596 1.429 511 H PHE 67 H PHE 67 -9.003 8.544 1.995 512 HA PHE 67 HA PHE 67 -11.651 9.196 2.665 513 HB2 PHE 67 2HB PHE 67 -9.773 10.604 0.726 514 HB3 PHE 67 1HB PHE 67 -11.239 11.301 1.393 515 HD1 PHE 67 HD1 PHE 67 -7.837 11.528 1.633 516 HD2 PHE 67 HD2 PHE 67 -11.234 10.977 4.184 517 HE1 PHE 67 HE1 PHE 67 -6.583 12.480 3.519 518 HE2 PHE 67 HE2 PHE 67 -9.961 11.930 6.064 519 HZ PHE 67 HZ PHE 67 -7.633 12.683 5.728 520 H SER 68 H SER 68 -13.521 9.210 1.527 521 HA SER 68 HA SER 68 -13.941 7.368 -0.539 522 HB2 SER 68 2HB SER 68 -15.768 9.630 0.378 523 HB3 SER 68 1HB SER 68 -16.273 8.195 -0.518 524 HG SER 68 HG SER 68 -15.434 6.971 1.325 525 H THR 69 H THR 69 -13.318 10.805 -0.666 526 HA THR 69 HA THR 69 -13.815 10.972 -3.561 527 HB THR 69 HB THR 69 -13.015 13.209 -1.629 528 HG1 THR 69 HG1 THR 69 -15.504 12.105 -2.356 529 HG21 THR 69 1HG2 THR 69 -14.290 13.324 -4.388 530 HG22 THR 69 2HG2 THR 69 -12.600 13.708 -4.047 531 HG23 THR 69 3HG2 THR 69 -13.896 14.709 -3.379 532 H ASP 70 H ASP 70 -11.256 11.827 -1.180 533 HA ASP 70 HA ASP 70 -9.348 12.645 -3.080 534 HB2 ASP 70 2HB ASP 70 -8.843 11.773 -0.203 535 HB3 ASP 70 1HB ASP 70 -7.721 12.684 -1.211 536 H ALA 71 H ALA 71 -9.344 9.684 -1.038 537 HA ALA 71 HA ALA 71 -6.898 8.605 -1.725 538 HB1 ALA 71 1HB ALA 71 -7.781 6.439 -0.962 539 HB2 ALA 71 2HB ALA 71 -9.434 7.052 -1.087 540 HB3 ALA 71 3HB ALA 71 -8.319 7.748 0.089 541 H ARG 72 H ARG 72 -9.970 8.175 -3.359 542 HA ARG 72 HA ARG 72 -9.191 6.014 -5.045 543 HB2 ARG 72 2HB ARG 72 -11.589 7.883 -5.208 544 HB3 ARG 72 1HB ARG 72 -11.412 6.375 -6.106 545 HG2 ARG 72 2HG ARG 72 -11.326 5.118 -3.966 546 HG3 ARG 72 1HG ARG 72 -11.539 6.631 -3.080 547 HD2 ARG 72 2HD ARG 72 -13.654 5.460 -3.203 548 HD3 ARG 72 1HD ARG 72 -13.740 6.928 -4.179 549 HE ARG 72 HE ARG 72 -13.065 5.091 -6.023 550 HH11 ARG 72 1HH1 ARG 72 -15.619 5.071 -3.587 551 HH12 ARG 72 2HH1 ARG 72 -16.672 4.074 -4.531 552 HH21 ARG 72 1HH2 ARG 72 -14.459 3.787 -7.232 553 HH22 ARG 72 2HH2 ARG 72 -16.011 3.347 -6.603 554 H GLU 73 H GLU 73 -9.305 9.541 -5.443 555 HA GLU 73 HA GLU 73 -8.305 9.352 -8.218 556 HB2 GLU 73 2HB GLU 73 -8.662 11.760 -8.351 557 HB3 GLU 73 1HB GLU 73 -10.119 10.993 -7.734 558 HG2 GLU 73 2HG GLU 73 -9.487 11.689 -5.434 559 HG3 GLU 73 1HG GLU 73 -8.052 12.485 -6.077 560 H LEU 74 H LEU 74 -7.028 9.385 -5.127 561 HA LEU 74 HA LEU 74 -4.547 10.816 -5.790 562 HB2 LEU 74 2HB LEU 74 -5.889 9.955 -3.273 563 HB3 LEU 74 1HB LEU 74 -4.148 9.782 -3.241 564 HG LEU 74 HG LEU 74 -3.828 12.165 -3.636 565 HD11 LEU 74 1HD1 LEU 74 -5.686 12.650 -5.120 566 HD12 LEU 74 2HD1 LEU 74 -5.689 13.762 -3.754 567 HD13 LEU 74 3HD1 LEU 74 -6.836 12.420 -3.803 568 HD21 LEU 74 1HD2 LEU 74 -5.851 11.670 -1.433 569 HD22 LEU 74 2HD2 LEU 74 -4.751 13.049 -1.535 570 HD23 LEU 74 3HD2 LEU 74 -4.105 11.421 -1.326 571 H SER 75 H SER 75 -5.753 7.630 -5.989 572 HA SER 75 HA SER 75 -3.548 6.008 -5.439 573 HB2 SER 75 2HB SER 75 -4.565 4.455 -7.193 574 HB3 SER 75 1HB SER 75 -5.681 4.989 -5.937 575 HG SER 75 HG SER 75 -6.866 5.721 -7.490 576 H LYS 76 H LYS 76 -4.412 7.684 -8.451 577 HA LYS 76 HA LYS 76 -2.251 6.933 -10.059 578 HB2 LYS 76 2HB LYS 76 -2.905 8.856 -11.491 579 HB3 LYS 76 1HB LYS 76 -4.304 7.936 -10.961 580 HG2 LYS 76 2HG LYS 76 -5.110 10.078 -10.629 581 HG3 LYS 76 1HG LYS 76 -4.406 9.775 -9.041 582 HD2 LYS 76 2HD LYS 76 -2.296 10.958 -9.887 583 HD3 LYS 76 1HD LYS 76 -3.228 11.430 -11.308 584 HE2 LYS 76 2HE LYS 76 -3.836 12.170 -8.431 585 HE3 LYS 76 1HE LYS 76 -3.157 13.237 -9.659 586 HZ1 LYS 76 1HZ LYS 76 -5.219 12.961 -10.934 587 HZ2 LYS 76 2HZ LYS 76 -5.490 13.649 -9.416 588 HZ3 LYS 76 3HZ LYS 76 -5.865 12.020 -9.683 589 H LYS 77 H LYS 77 -2.404 9.208 -7.457 590 HA LYS 77 HA LYS 77 -0.016 10.708 -8.156 591 HB2 LYS 77 2HB LYS 77 -2.046 11.706 -7.042 592 HB3 LYS 77 1HB LYS 77 -1.695 10.759 -5.606 593 HG2 LYS 77 2HG LYS 77 0.396 12.628 -6.696 594 HG3 LYS 77 1HG LYS 77 -0.963 13.289 -5.792 595 HD2 LYS 77 2HD LYS 77 -0.347 12.005 -3.818 596 HD3 LYS 77 1HD LYS 77 0.915 11.152 -4.710 597 HE2 LYS 77 2HE LYS 77 1.801 12.964 -3.252 598 HE3 LYS 77 1HE LYS 77 2.194 13.205 -4.954 599 HZ1 LYS 77 1HZ LYS 77 -0.029 14.536 -3.499 600 HZ2 LYS 77 2HZ LYS 77 0.417 14.819 -5.105 601 HZ3 LYS 77 3HZ LYS 77 1.468 15.242 -3.849 602 H TYR 78 H TYR 78 -0.981 8.108 -5.958 603 HA TYR 78 HA TYR 78 1.677 7.954 -4.716 604 HB2 TYR 78 2HB TYR 78 -0.948 6.524 -4.121 605 HB3 TYR 78 1HB TYR 78 0.558 6.154 -3.285 606 HD1 TYR 78 HD1 TYR 78 -2.337 8.296 -3.311 607 HD2 TYR 78 HD2 TYR 78 1.734 8.105 -2.008 608 HE1 TYR 78 HE1 TYR 78 -2.761 10.096 -1.700 609 HE2 TYR 78 HE2 TYR 78 1.287 9.895 -0.411 610 HH TYR 78 HH TYR 78 -1.845 10.945 0.386 611 H ILE 79 H ILE 79 1.198 7.170 -7.592 612 HA ILE 79 HA ILE 79 1.584 4.330 -7.704 613 HB ILE 79 HB ILE 79 0.668 5.395 -9.671 614 HG12 ILE 79 2HG1 ILE 79 2.172 4.528 -11.470 615 HG13 ILE 79 1HG1 ILE 79 3.496 4.435 -10.315 616 HG21 ILE 79 1HG2 ILE 79 1.870 7.020 -11.082 617 HG22 ILE 79 2HG2 ILE 79 3.205 7.040 -9.927 618 HG23 ILE 79 3HG2 ILE 79 1.620 7.648 -9.449 619 HD11 ILE 79 1HD1 ILE 79 2.315 2.712 -9.070 620 HD12 ILE 79 2HD1 ILE 79 2.493 2.257 -10.765 621 HD13 ILE 79 3HD1 ILE 79 0.940 2.842 -10.172 622 H ILE 80 H ILE 80 3.226 3.816 -6.283 623 HA ILE 80 HA ILE 80 5.893 4.989 -6.604 624 HB ILE 80 HB ILE 80 4.855 4.493 -4.319 625 HG12 ILE 80 2HG1 ILE 80 7.582 3.203 -4.794 626 HG13 ILE 80 1HG1 ILE 80 7.310 4.938 -4.688 627 HG21 ILE 80 1HG2 ILE 80 5.562 1.613 -4.961 628 HG22 ILE 80 2HG2 ILE 80 3.926 2.258 -4.810 629 HG23 ILE 80 3HG2 ILE 80 4.994 2.224 -3.404 630 HD11 ILE 80 1HD1 ILE 80 6.838 2.937 -2.479 631 HD12 ILE 80 2HD1 ILE 80 6.533 4.673 -2.382 632 HD13 ILE 80 3HD1 ILE 80 8.176 4.078 -2.607 633 H GLY 81 H GLY 81 4.098 2.257 -7.676 634 HA2 GLY 81 2HA GLY 81 5.572 1.556 -9.809 635 HA3 GLY 81 1HA GLY 81 6.394 0.680 -8.523 636 H GLU 82 H GLU 82 5.853 -1.290 -9.463 637 HA GLU 82 HA GLU 82 3.056 -2.161 -9.008 638 HB2 GLU 82 2HB GLU 82 3.443 -3.890 -10.765 639 HB3 GLU 82 1HB GLU 82 3.543 -2.248 -11.398 640 HG2 GLU 82 2HG GLU 82 6.021 -2.383 -11.328 641 HG3 GLU 82 1HG GLU 82 5.905 -4.038 -10.735 642 H LEU 83 H LEU 83 2.804 -4.021 -7.815 643 HA LEU 83 HA LEU 83 4.990 -4.982 -6.239 644 HB2 LEU 83 2HB LEU 83 2.466 -4.808 -5.591 645 HB3 LEU 83 1HB LEU 83 2.260 -6.315 -6.457 646 HG LEU 83 HG LEU 83 2.458 -6.519 -3.939 647 HD11 LEU 83 1HD1 LEU 83 2.906 -8.451 -5.346 648 HD12 LEU 83 2HD1 LEU 83 3.840 -8.460 -3.854 649 HD13 LEU 83 3HD1 LEU 83 4.618 -8.031 -5.382 650 HD21 LEU 83 1HD2 LEU 83 4.624 -6.292 -2.858 651 HD22 LEU 83 2HD2 LEU 83 4.121 -4.765 -3.574 652 HD23 LEU 83 3HD2 LEU 83 5.352 -5.746 -4.371 653 H HIS 84 H HIS 84 5.916 -7.000 -6.333 654 HA HIS 84 HA HIS 84 6.664 -7.959 -8.852 655 HB2 HIS 84 2HB HIS 84 7.984 -8.054 -6.654 656 HB3 HIS 84 1HB HIS 84 6.952 -9.391 -6.170 657 HD1 HIS 84 HD1 HIS 84 8.246 -11.497 -6.400 658 HD2 HIS 84 HD2 HIS 84 9.118 -8.790 -9.428 659 HE1 HIS 84 HE1 HIS 84 9.943 -12.631 -7.854 660 HE2 HIS 84 HE2 HIS 84 10.560 -10.916 -9.586 661 HA PRO 85 HA PRO 85 2.861 -10.205 -9.666 662 HB2 PRO 85 2HB PRO 85 3.719 -11.842 -11.759 663 HB3 PRO 85 1HB PRO 85 3.299 -10.127 -11.935 664 HG2 PRO 85 2HG PRO 85 6.006 -11.378 -11.647 665 HG3 PRO 85 1HG PRO 85 5.485 -10.053 -12.712 666 HD2 PRO 85 2HD PRO 85 6.848 -9.560 -10.433 667 HD3 PRO 85 1HD PRO 85 5.582 -8.451 -11.003 668 H ASP 86 H ASP 86 5.741 -11.880 -8.711 669 HA ASP 86 HA ASP 86 4.461 -14.396 -8.083 670 HB2 ASP 86 2HB ASP 86 6.869 -14.275 -8.654 671 HB3 ASP 86 1HB ASP 86 7.166 -13.256 -7.251 672 H ASP 87 H ASP 87 5.705 -11.567 -6.259 673 HA ASP 87 HA ASP 87 5.390 -12.651 -3.680 674 HB2 ASP 87 2HB ASP 87 6.025 -9.934 -4.772 675 HB3 ASP 87 1HB ASP 87 5.488 -9.986 -3.100 676 H ARG 88 H ARG 88 3.099 -10.961 -5.678 677 HA ARG 88 HA ARG 88 1.310 -10.121 -3.639 678 HB2 ARG 88 2HB ARG 88 -0.298 -9.812 -5.547 679 HB3 ARG 88 1HB ARG 88 1.254 -9.027 -5.769 680 HG2 ARG 88 2HG ARG 88 0.912 -9.918 -7.876 681 HG3 ARG 88 1HG ARG 88 1.869 -11.190 -7.130 682 HD2 ARG 88 2HD ARG 88 -0.339 -12.355 -6.574 683 HD3 ARG 88 1HD ARG 88 -1.130 -11.167 -7.610 684 HE ARG 88 HE ARG 88 0.831 -12.210 -9.181 685 HH11 ARG 88 1HH1 ARG 88 -1.825 -13.652 -7.367 686 HH12 ARG 88 2HH1 ARG 88 -1.985 -14.992 -8.460 687 HH21 ARG 88 1HH2 ARG 88 0.588 -13.960 -10.590 688 HH22 ARG 88 2HH2 ARG 88 -0.625 -15.161 -10.275 689 H SER 89 H SER 89 1.770 -13.145 -5.257 690 HA SER 89 HA SER 89 -0.673 -14.379 -4.186 691 HB2 SER 89 2HB SER 89 -0.005 -14.830 -6.545 692 HB3 SER 89 1HB SER 89 1.519 -15.513 -5.989 693 HG SER 89 HG SER 89 -0.231 -16.857 -4.671 694 H LYS 90 H LYS 90 2.806 -14.423 -3.956 695 HA LYS 90 HA LYS 90 3.364 -16.621 -2.345 696 HB2 LYS 90 2HB LYS 90 5.080 -15.476 -3.573 697 HB3 LYS 90 1HB LYS 90 4.683 -13.940 -2.830 698 HG2 LYS 90 2HG LYS 90 5.588 -14.865 -0.653 699 HG3 LYS 90 1HG LYS 90 6.186 -16.249 -1.577 700 HD2 LYS 90 2HD LYS 90 7.666 -14.868 -2.880 701 HD3 LYS 90 1HD LYS 90 6.856 -13.390 -2.365 702 HE2 LYS 90 2HE LYS 90 7.706 -13.862 -0.025 703 HE3 LYS 90 1HE LYS 90 8.692 -15.149 -0.722 704 HZ1 LYS 90 1HZ LYS 90 9.890 -13.037 -0.481 705 HZ2 LYS 90 2HZ LYS 90 8.802 -12.303 -1.549 706 HZ3 LYS 90 3HZ LYS 90 9.807 -13.547 -2.088 707 H ILE 91 H ILE 91 2.833 -13.217 -1.384 708 HA ILE 91 HA ILE 91 2.259 -14.049 1.411 709 HB ILE 91 HB ILE 91 3.491 -11.355 0.627 710 HG12 ILE 91 2HG1 ILE 91 4.935 -13.855 1.624 711 HG13 ILE 91 1HG1 ILE 91 5.101 -13.117 0.039 712 HG21 ILE 91 1HG2 ILE 91 4.043 -11.133 3.029 713 HG22 ILE 91 2HG2 ILE 91 3.303 -12.700 3.360 714 HG23 ILE 91 3HG2 ILE 91 2.306 -11.353 2.809 715 HD11 ILE 91 1HD1 ILE 91 6.001 -11.942 2.661 716 HD12 ILE 91 2HD1 ILE 91 6.099 -11.138 1.091 717 HD13 ILE 91 3HD1 ILE 91 7.009 -12.618 1.382 718 H ALA 92 H ALA 92 0.398 -13.872 -0.795 719 HA ALA 92 HA ALA 92 -1.303 -11.644 -0.783 720 HB1 ALA 92 1HB ALA 92 -1.607 -13.567 -2.310 721 HB2 ALA 92 2HB ALA 92 -3.101 -13.210 -1.442 722 HB3 ALA 92 3HB ALA 92 -2.100 -14.578 -0.952 723 H LYS 93 H LYS 93 -1.094 -14.413 1.371 724 HA LYS 93 HA LYS 93 -1.971 -12.896 3.662 725 HB2 LYS 93 2HB LYS 93 -3.681 -14.647 4.318 726 HB3 LYS 93 1HB LYS 93 -4.143 -13.644 2.950 727 HG2 LYS 93 2HG LYS 93 -3.483 -15.501 1.402 728 HG3 LYS 93 1HG LYS 93 -3.131 -16.508 2.809 729 HD2 LYS 93 2HD LYS 93 -5.839 -15.335 2.074 730 HD3 LYS 93 1HD LYS 93 -5.355 -17.025 1.903 731 HE2 LYS 93 2HE LYS 93 -5.138 -17.226 4.348 732 HE3 LYS 93 1HE LYS 93 -5.551 -15.520 4.538 733 HZ1 LYS 93 1HZ LYS 93 -7.700 -16.015 3.494 734 HZ2 LYS 93 2HZ LYS 93 -7.471 -16.832 4.954 735 HZ3 LYS 93 3HZ LYS 93 -7.311 -17.660 3.488 736 HA PRO 94 HA PRO 94 1.550 -15.627 4.925 737 HB2 PRO 94 2HB PRO 94 1.689 -14.385 7.465 738 HB3 PRO 94 1HB PRO 94 2.625 -13.917 6.036 739 HG2 PRO 94 2HG PRO 94 0.127 -12.697 7.129 740 HG3 PRO 94 1HG PRO 94 1.523 -11.910 6.360 741 HD2 PRO 94 2HD PRO 94 -0.798 -12.267 5.025 742 HD3 PRO 94 1HD PRO 94 0.771 -12.382 4.195 743 H SER 95 H SER 95 0.997 -17.644 5.531 744 HA SER 95 HA SER 95 -1.059 -18.164 7.573 745 HB2 SER 95 2HB SER 95 -2.340 -19.569 5.918 746 HB3 SER 95 1HB SER 95 -2.346 -17.850 5.524 747 HG SER 95 HG SER 95 -1.011 -18.202 3.862 748 H GLU 96 H GLU 96 -1.223 -20.987 6.296 749 HA GLU 96 HA GLU 96 0.284 -22.392 8.090 750 HB2 GLU 96 2HB GLU 96 -0.105 -24.375 6.561 751 HB3 GLU 96 1HB GLU 96 -1.551 -23.436 6.917 752 HG2 GLU 96 2HG GLU 96 -1.554 -22.419 4.739 753 HG3 GLU 96 1HG GLU 96 0.057 -23.034 4.375 754 H THR 97 H THR 97 1.278 -21.554 4.765 755 HA THR 97 HA THR 97 4.067 -22.294 5.337 756 HB THR 97 HB THR 97 3.051 -24.341 4.368 757 HG1 THR 97 HG1 THR 97 5.199 -23.990 3.874 758 HG21 THR 97 1HG2 THR 97 2.259 -24.411 2.039 759 HG22 THR 97 2HG2 THR 97 2.471 -22.666 1.893 760 HG23 THR 97 3HG2 THR 97 1.258 -23.316 3.000 761 H LEU 98 H LEU 98 1.750 -20.331 3.831 762 HA LEU 98 HA LEU 98 3.372 -19.070 1.841 763 HB2 LEU 98 2HB LEU 98 0.775 -18.245 3.195 764 HB3 LEU 98 1HB LEU 98 1.555 -17.269 1.965 765 HG LEU 98 HG LEU 98 -0.246 -18.482 0.918 766 HD11 LEU 98 1HD1 LEU 98 0.890 -19.687 -0.866 767 HD12 LEU 98 2HD1 LEU 98 2.364 -19.773 0.101 768 HD13 LEU 98 3HD1 LEU 98 1.748 -18.207 -0.438 769 HD21 LEU 98 1HD2 LEU 98 -0.431 -20.946 0.871 770 HD22 LEU 98 2HD2 LEU 98 -0.572 -20.305 2.507 771 HD23 LEU 98 3HD2 LEU 98 0.932 -21.069 1.990 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 19.164 -7.242 -7.812 2 H2 ALA 1 2H ALA 1 18.280 -8.411 -6.967 3 H3 ALA 1 3H ALA 1 17.689 -6.836 -7.093 4 HA ALA 1 HA ALA 1 18.101 -8.678 -9.364 5 HB1 ALA 1 1HB ALA 1 15.647 -8.880 -9.468 6 HB2 ALA 1 2HB ALA 1 15.488 -7.870 -8.028 7 HB3 ALA 1 3HB ALA 1 16.253 -9.456 -7.916 8 H GLU 2 H GLU 2 19.138 -7.078 -10.578 9 HA GLU 2 HA GLU 2 18.018 -4.456 -10.985 10 HB2 GLU 2 2HB GLU 2 20.239 -5.959 -12.448 11 HB3 GLU 2 1HB GLU 2 19.707 -4.348 -12.914 12 HG2 GLU 2 2HG GLU 2 21.709 -4.163 -11.580 13 HG3 GLU 2 1HG GLU 2 20.352 -3.483 -10.692 14 H GLN 3 H GLN 3 15.930 -4.641 -11.693 15 HA GLN 3 HA GLN 3 15.181 -6.239 -14.014 16 HB2 GLN 3 2HB GLN 3 13.629 -5.878 -12.085 17 HB3 GLN 3 1HB GLN 3 13.612 -4.153 -12.418 18 HG2 GLN 3 2HG GLN 3 11.574 -5.141 -13.244 19 HG3 GLN 3 1HG GLN 3 12.545 -4.615 -14.618 20 HE21 GLN 3 1HE2 GLN 3 11.463 -6.016 -16.027 21 HE22 GLN 3 2HE2 GLN 3 11.676 -7.733 -15.981 22 H SER 4 H SER 4 14.887 -5.451 -16.094 23 HA SER 4 HA SER 4 16.201 -3.112 -16.967 24 HB2 SER 4 2HB SER 4 15.057 -3.642 -19.182 25 HB3 SER 4 1HB SER 4 15.953 -4.988 -18.471 26 HG SER 4 HG SER 4 13.766 -5.456 -19.259 27 H ASP 5 H ASP 5 12.832 -3.782 -16.177 28 HA ASP 5 HA ASP 5 11.846 -1.145 -16.768 29 HB2 ASP 5 2HB ASP 5 10.685 -3.300 -14.953 30 HB3 ASP 5 1HB ASP 5 9.833 -1.865 -15.511 31 H LYS 6 H LYS 6 13.475 0.094 -15.778 32 HA LYS 6 HA LYS 6 13.790 0.154 -12.880 33 HB2 LYS 6 2HB LYS 6 15.726 0.571 -14.389 34 HB3 LYS 6 1HB LYS 6 14.913 1.985 -15.050 35 HG2 LYS 6 2HG LYS 6 15.056 3.130 -12.910 36 HG3 LYS 6 1HG LYS 6 15.724 1.691 -12.135 37 HD2 LYS 6 2HD LYS 6 17.059 3.247 -14.386 38 HD3 LYS 6 1HD LYS 6 17.466 3.394 -12.675 39 HE2 LYS 6 2HE LYS 6 18.128 0.988 -12.653 40 HE3 LYS 6 1HE LYS 6 17.759 0.892 -14.377 41 HZ1 LYS 6 1HZ LYS 6 19.478 2.524 -14.802 42 HZ2 LYS 6 2HZ LYS 6 20.118 1.199 -13.979 43 HZ3 LYS 6 3HZ LYS 6 19.823 2.644 -13.155 44 H ASP 7 H ASP 7 12.372 2.131 -15.481 45 HA ASP 7 HA ASP 7 10.869 3.857 -13.732 46 HB2 ASP 7 2HB ASP 7 11.364 4.436 -16.118 47 HB3 ASP 7 1HB ASP 7 10.349 3.106 -16.659 48 H VAL 8 H VAL 8 8.752 3.484 -12.957 49 HA VAL 8 HA VAL 8 7.218 2.273 -11.848 50 HB VAL 8 HB VAL 8 7.285 0.387 -14.256 51 HG11 VAL 8 1HG1 VAL 8 5.196 0.667 -12.067 52 HG12 VAL 8 2HG1 VAL 8 6.270 -0.712 -12.311 53 HG13 VAL 8 3HG1 VAL 8 5.036 -0.337 -13.513 54 HG21 VAL 8 1HG2 VAL 8 6.697 2.696 -14.913 55 HG22 VAL 8 2HG2 VAL 8 5.432 2.736 -13.680 56 HG23 VAL 8 3HG2 VAL 8 5.295 1.629 -15.046 57 H LYS 9 H LYS 9 8.162 1.568 -10.042 58 HA LYS 9 HA LYS 9 10.500 -0.134 -10.106 59 HB2 LYS 9 2HB LYS 9 9.051 1.156 -7.756 60 HB3 LYS 9 1HB LYS 9 10.624 0.367 -7.679 61 HG2 LYS 9 2HG LYS 9 11.542 2.104 -9.217 62 HG3 LYS 9 1HG LYS 9 9.967 2.905 -9.210 63 HD2 LYS 9 2HD LYS 9 11.507 4.007 -7.636 64 HD3 LYS 9 1HD LYS 9 10.155 3.277 -6.766 65 HE2 LYS 9 2HE LYS 9 12.280 2.887 -5.595 66 HE3 LYS 9 1HE LYS 9 11.595 1.360 -6.146 67 HZ1 LYS 9 1HZ LYS 9 13.967 1.469 -6.567 68 HZ2 LYS 9 2HZ LYS 9 13.774 2.872 -7.488 69 HZ3 LYS 9 3HZ LYS 9 13.117 1.410 -8.027 70 H TYR 10 H TYR 10 10.489 -2.271 -9.775 71 HA TYR 10 HA TYR 10 8.175 -3.735 -8.896 72 HB2 TYR 10 2HB TYR 10 10.993 -4.527 -9.700 73 HB3 TYR 10 1HB TYR 10 9.931 -5.700 -8.928 74 HD1 TYR 10 HD1 TYR 10 8.358 -6.899 -10.210 75 HD2 TYR 10 HD2 TYR 10 10.081 -3.355 -11.862 76 HE1 TYR 10 HE1 TYR 10 7.249 -7.356 -12.350 77 HE2 TYR 10 HE2 TYR 10 8.980 -3.824 -14.008 78 HH TYR 10 HH TYR 10 6.479 -5.889 -14.363 79 H TYR 11 H TYR 11 7.687 -3.089 -6.837 80 HA TYR 11 HA TYR 11 9.535 -3.572 -4.624 81 HB2 TYR 11 2HB TYR 11 6.639 -2.701 -4.867 82 HB3 TYR 11 1HB TYR 11 7.188 -3.363 -3.333 83 HD1 TYR 11 HD1 TYR 11 8.012 -0.669 -5.836 84 HD2 TYR 11 HD2 TYR 11 8.287 -1.991 -1.778 85 HE1 TYR 11 HE1 TYR 11 8.966 1.509 -5.187 86 HE2 TYR 11 HE2 TYR 11 9.230 0.171 -1.133 87 HH TYR 11 HH TYR 11 10.330 2.040 -2.025 88 H THR 12 H THR 12 9.327 -5.295 -3.135 89 HA THR 12 HA THR 12 7.754 -7.634 -4.077 90 HB THR 12 HB THR 12 9.198 -9.042 -2.663 91 HG1 THR 12 HG1 THR 12 10.517 -8.239 -1.230 92 HG21 THR 12 1HG2 THR 12 10.842 -7.238 -4.472 93 HG22 THR 12 2HG2 THR 12 9.944 -8.672 -4.982 94 HG23 THR 12 3HG2 THR 12 11.334 -8.832 -3.902 95 H LEU 13 H LEU 13 6.349 -8.609 -2.620 96 HA LEU 13 HA LEU 13 5.128 -6.876 -0.706 97 HB2 LEU 13 2HB LEU 13 4.035 -8.680 -2.253 98 HB3 LEU 13 1HB LEU 13 4.472 -9.822 -0.992 99 HG LEU 13 HG LEU 13 3.013 -8.675 0.622 100 HD11 LEU 13 1HD1 LEU 13 1.615 -6.738 -0.019 101 HD12 LEU 13 2HD1 LEU 13 2.424 -6.658 -1.587 102 HD13 LEU 13 3HD1 LEU 13 3.332 -6.339 -0.106 103 HD21 LEU 13 1HD2 LEU 13 1.998 -10.359 -0.859 104 HD22 LEU 13 2HD2 LEU 13 1.592 -9.100 -2.028 105 HD23 LEU 13 3HD2 LEU 13 0.839 -9.099 -0.430 106 H GLU 14 H GLU 14 7.453 -9.421 -0.597 107 HA GLU 14 HA GLU 14 7.782 -9.922 2.124 108 HB2 GLU 14 2HB GLU 14 8.960 -11.149 0.392 109 HB3 GLU 14 1HB GLU 14 9.723 -9.697 -0.223 110 HG2 GLU 14 2HG GLU 14 10.334 -10.678 2.571 111 HG3 GLU 14 1HG GLU 14 11.133 -11.388 1.174 112 H GLU 15 H GLU 15 9.075 -7.299 0.089 113 HA GLU 15 HA GLU 15 10.652 -5.992 2.023 114 HB2 GLU 15 2HB GLU 15 10.782 -5.705 -0.503 115 HB3 GLU 15 1HB GLU 15 9.322 -4.732 -0.419 116 HG2 GLU 15 2HG GLU 15 11.192 -3.246 -0.578 117 HG3 GLU 15 1HG GLU 15 10.549 -3.121 1.057 118 H ILE 16 H ILE 16 7.260 -5.691 1.121 119 HA ILE 16 HA ILE 16 6.793 -3.293 2.697 120 HB ILE 16 HB ILE 16 4.660 -5.035 1.373 121 HG12 ILE 16 2HG1 ILE 16 6.244 -2.758 0.072 122 HG13 ILE 16 1HG1 ILE 16 6.364 -4.462 -0.353 123 HG21 ILE 16 1HG2 ILE 16 4.711 -2.067 2.047 124 HG22 ILE 16 2HG2 ILE 16 3.872 -3.317 2.970 125 HG23 ILE 16 3HG2 ILE 16 3.363 -2.947 1.324 126 HD11 ILE 16 1HD1 ILE 16 3.929 -2.724 -0.675 127 HD12 ILE 16 2HD1 ILE 16 4.029 -4.441 -1.071 128 HD13 ILE 16 3HD1 ILE 16 5.015 -3.274 -1.951 129 H GLN 17 H GLN 17 6.418 -6.777 3.086 130 HA GLN 17 HA GLN 17 4.542 -6.956 5.159 131 HB2 GLN 17 2HB GLN 17 5.438 -8.966 4.004 132 HB3 GLN 17 1HB GLN 17 7.015 -8.704 4.748 133 HG2 GLN 17 2HG GLN 17 5.909 -8.980 6.999 134 HG3 GLN 17 1HG GLN 17 4.427 -9.427 6.160 135 HE21 GLN 17 1HE2 GLN 17 6.082 -10.940 8.041 136 HE22 GLN 17 2HE2 GLN 17 6.515 -12.402 7.226 137 H LYS 18 H LYS 18 7.979 -6.258 5.229 138 HA LYS 18 HA LYS 18 8.105 -5.670 8.066 139 HB2 LYS 18 2HB LYS 18 9.988 -4.845 5.807 140 HB3 LYS 18 1HB LYS 18 10.361 -4.854 7.528 141 HG2 LYS 18 2HG LYS 18 10.365 -7.264 7.601 142 HG3 LYS 18 1HG LYS 18 9.692 -7.376 5.973 143 HD2 LYS 18 2HD LYS 18 12.463 -6.320 6.690 144 HD3 LYS 18 1HD LYS 18 12.097 -7.882 5.951 145 HE2 LYS 18 2HE LYS 18 11.167 -6.720 3.969 146 HE3 LYS 18 1HE LYS 18 11.568 -5.164 4.696 147 HZ1 LYS 18 1HZ LYS 18 13.461 -7.277 3.838 148 HZ2 LYS 18 2HZ LYS 18 13.919 -5.891 4.688 149 HZ3 LYS 18 3HZ LYS 18 13.250 -5.751 3.143 150 H HIS 19 H HIS 19 6.724 -4.008 8.659 151 HA HIS 19 HA HIS 19 7.093 -1.338 7.543 152 HB2 HIS 19 2HB HIS 19 4.665 -0.960 7.100 153 HB3 HIS 19 1HB HIS 19 5.357 -2.182 6.040 154 HD1 HIS 19 HD1 HIS 19 4.652 -4.677 6.520 155 HD2 HIS 19 HD2 HIS 19 2.493 -1.821 8.609 156 HE1 HIS 19 HE1 HIS 19 2.664 -5.892 7.445 157 HE2 HIS 19 HE2 HIS 19 1.255 -4.079 8.473 158 H LYS 20 H LYS 20 7.858 -2.323 9.974 159 HA LYS 20 HA LYS 20 6.142 -1.585 12.128 160 HB2 LYS 20 2HB LYS 20 9.188 -1.747 11.945 161 HB3 LYS 20 1HB LYS 20 8.334 -1.382 13.440 162 HG2 LYS 20 2HG LYS 20 8.033 -3.945 11.844 163 HG3 LYS 20 1HG LYS 20 9.018 -3.748 13.296 164 HD2 LYS 20 2HD LYS 20 6.977 -3.208 14.599 165 HD3 LYS 20 1HD LYS 20 5.996 -3.407 13.144 166 HE2 LYS 20 2HE LYS 20 6.675 -5.785 13.026 167 HE3 LYS 20 1HE LYS 20 7.636 -5.574 14.495 168 HZ1 LYS 20 1HZ LYS 20 4.693 -5.262 14.265 169 HZ2 LYS 20 2HZ LYS 20 5.589 -4.957 15.663 170 HZ3 LYS 20 3HZ LYS 20 5.520 -6.518 15.032 171 H ASP 21 H ASP 21 8.007 0.209 9.885 172 HA ASP 21 HA ASP 21 7.609 2.761 11.314 173 HB2 ASP 21 2HB ASP 21 9.553 2.051 9.060 174 HB3 ASP 21 1HB ASP 21 9.415 3.624 9.841 175 H SER 22 H SER 22 6.640 4.418 10.164 176 HA SER 22 HA SER 22 4.609 3.772 8.288 177 HB2 SER 22 2HB SER 22 5.695 6.527 8.996 178 HB3 SER 22 1HB SER 22 4.101 6.156 8.338 179 HG SER 22 HG SER 22 4.139 4.733 10.431 180 H LYS 23 H LYS 23 7.894 4.903 7.988 181 HA LYS 23 HA LYS 23 7.757 5.799 5.271 182 HB2 LYS 23 2HB LYS 23 10.262 5.835 5.395 183 HB3 LYS 23 1HB LYS 23 9.461 6.725 6.677 184 HG2 LYS 23 2HG LYS 23 11.173 5.656 7.841 185 HG3 LYS 23 1HG LYS 23 9.806 4.578 8.111 186 HD2 LYS 23 2HD LYS 23 11.813 3.270 7.617 187 HD3 LYS 23 1HD LYS 23 10.641 3.075 6.314 188 HE2 LYS 23 2HE LYS 23 11.902 4.762 4.975 189 HE3 LYS 23 1HE LYS 23 13.096 4.863 6.271 190 HZ1 LYS 23 1HZ LYS 23 12.462 2.484 4.614 191 HZ2 LYS 23 2HZ LYS 23 13.500 2.458 5.943 192 HZ3 LYS 23 3HZ LYS 23 13.889 3.388 4.588 193 H SER 24 H SER 24 7.777 2.749 6.654 194 HA SER 24 HA SER 24 8.829 1.389 4.254 195 HB2 SER 24 2HB SER 24 9.940 0.994 6.512 196 HB3 SER 24 1HB SER 24 8.429 0.282 7.078 197 HG SER 24 HG SER 24 8.647 -1.229 5.316 198 H THR 25 H THR 25 6.031 2.563 4.825 199 HA THR 25 HA THR 25 4.396 0.094 4.871 200 HB THR 25 HB THR 25 3.663 2.951 5.650 201 HG1 THR 25 HG1 THR 25 5.000 1.529 7.094 202 HG21 THR 25 1HG2 THR 25 1.528 1.999 6.455 203 HG22 THR 25 2HG2 THR 25 1.965 0.431 5.776 204 HG23 THR 25 3HG2 THR 25 1.690 1.810 4.710 205 H TRP 26 H TRP 26 3.746 -0.483 2.910 206 HA TRP 26 HA TRP 26 2.575 1.491 1.049 207 HB2 TRP 26 2HB TRP 26 4.350 -0.848 0.177 208 HB3 TRP 26 1HB TRP 26 3.605 0.347 -0.878 209 HD1 TRP 26 HD TRP 26 4.635 2.949 -0.606 210 HE1 TRP 26 HE1 TRP 26 7.029 3.707 -0.083 211 HE3 TRP 26 HE3 TRP 26 6.461 -1.403 1.357 212 HZ2 TRP 26 HZ2 TRP 26 9.384 2.624 1.029 213 HZ3 TRP 26 HZ3 TRP 26 8.797 -1.467 2.136 214 HH2 TRP 26 HH TRP 26 10.228 0.511 1.971 215 H VAL 27 H VAL 27 1.167 0.247 -0.592 216 HA VAL 27 HA VAL 27 0.012 -2.265 0.444 217 HB VAL 27 HB VAL 27 -2.325 -1.392 0.060 218 HG11 VAL 27 1HG1 VAL 27 -0.800 0.025 2.272 219 HG12 VAL 27 2HG1 VAL 27 -1.510 -1.588 2.353 220 HG13 VAL 27 3HG1 VAL 27 -2.555 -0.176 2.194 221 HG21 VAL 27 1HG2 VAL 27 -1.772 0.509 -1.407 222 HG22 VAL 27 2HG2 VAL 27 -0.986 1.343 -0.064 223 HG23 VAL 27 3HG2 VAL 27 -2.725 1.042 -0.021 224 H ILE 28 H ILE 28 -1.462 -3.299 -1.161 225 HA ILE 28 HA ILE 28 -0.908 -2.517 -3.957 226 HB ILE 28 HB ILE 28 -0.389 -4.751 -4.672 227 HG12 ILE 28 2HG1 ILE 28 -0.789 -5.802 -1.822 228 HG13 ILE 28 1HG1 ILE 28 -1.971 -5.985 -3.111 229 HG21 ILE 28 1HG2 ILE 28 1.691 -5.264 -3.415 230 HG22 ILE 28 2HG2 ILE 28 1.191 -4.154 -2.143 231 HG23 ILE 28 3HG2 ILE 28 1.530 -3.547 -3.766 232 HD11 ILE 28 1HD1 ILE 28 0.812 -7.146 -3.103 233 HD12 ILE 28 2HD1 ILE 28 -0.389 -7.342 -4.383 234 HD13 ILE 28 3HD1 ILE 28 -0.687 -8.017 -2.781 235 H LEU 29 H LEU 29 -2.581 -2.864 -5.378 236 HA LEU 29 HA LEU 29 -5.219 -3.342 -4.258 237 HB2 LEU 29 2HB LEU 29 -4.188 -2.558 -6.993 238 HB3 LEU 29 1HB LEU 29 -5.839 -3.115 -6.819 239 HG LEU 29 HG LEU 29 -5.634 -0.624 -6.850 240 HD11 LEU 29 1HD1 LEU 29 -7.585 -1.671 -5.790 241 HD12 LEU 29 2HD1 LEU 29 -7.153 -0.160 -4.998 242 HD13 LEU 29 3HD1 LEU 29 -6.743 -1.700 -4.234 243 HD21 LEU 29 1HD2 LEU 29 -4.742 0.613 -4.936 244 HD22 LEU 29 2HD2 LEU 29 -3.482 -0.383 -5.659 245 HD23 LEU 29 3HD2 LEU 29 -4.248 -0.893 -4.159 246 H HIS 30 H HIS 30 -2.918 -5.037 -6.354 247 HA HIS 30 HA HIS 30 -3.822 -7.616 -5.590 248 HB2 HIS 30 2HB HIS 30 -5.676 -7.142 -7.158 249 HB3 HIS 30 1HB HIS 30 -4.533 -6.787 -8.444 250 HD1 HIS 30 HD1 HIS 30 -3.948 -8.715 -9.931 251 HD2 HIS 30 HD2 HIS 30 -5.561 -9.964 -6.305 252 HE1 HIS 30 HE1 HIS 30 -4.171 -11.215 -10.110 253 HE2 HIS 30 HE2 HIS 30 -5.320 -11.915 -7.981 254 H HIS 31 H HIS 31 -2.318 -5.970 -8.401 255 HA HIS 31 HA HIS 31 0.086 -7.699 -8.126 256 HB2 HIS 31 2HB HIS 31 -0.958 -8.413 -10.149 257 HB3 HIS 31 1HB HIS 31 -1.384 -6.773 -10.619 258 HD1 HIS 31 HD1 HIS 31 2.035 -8.269 -9.770 259 HD2 HIS 31 HD2 HIS 31 0.101 -6.247 -12.834 260 HE1 HIS 31 HE1 HIS 31 3.796 -7.815 -11.490 261 HE2 HIS 31 HE2 HIS 31 2.659 -6.320 -13.157 262 H LYS 32 H LYS 32 -1.131 -4.426 -8.491 263 HA LYS 32 HA LYS 32 1.615 -3.381 -8.892 264 HB2 LYS 32 2HB LYS 32 -0.150 -2.750 -10.553 265 HB3 LYS 32 1HB LYS 32 -1.061 -1.952 -9.274 266 HG2 LYS 32 2HG LYS 32 0.610 -0.266 -9.001 267 HG3 LYS 32 1HG LYS 32 1.784 -1.160 -9.966 268 HD2 LYS 32 2HD LYS 32 -0.781 0.078 -11.040 269 HD3 LYS 32 1HD LYS 32 0.827 0.784 -11.170 270 HE2 LYS 32 2HE LYS 32 1.575 -1.125 -12.534 271 HE3 LYS 32 1HE LYS 32 -0.027 -1.859 -12.396 272 HZ1 LYS 32 1HZ LYS 32 0.245 -0.676 -14.488 273 HZ2 LYS 32 2HZ LYS 32 0.564 0.765 -13.664 274 HZ3 LYS 32 3HZ LYS 32 -0.961 0.045 -13.551 275 H VAL 33 H VAL 33 2.427 -1.704 -7.543 276 HA VAL 33 HA VAL 33 1.251 -1.669 -4.833 277 HB VAL 33 HB VAL 33 3.529 -2.725 -4.996 278 HG11 VAL 33 1HG1 VAL 33 4.526 0.038 -5.771 279 HG12 VAL 33 2HG1 VAL 33 4.493 -1.379 -6.814 280 HG13 VAL 33 3HG1 VAL 33 5.533 -1.362 -5.392 281 HG21 VAL 33 1HG2 VAL 33 3.446 -0.151 -3.379 282 HG22 VAL 33 2HG2 VAL 33 4.539 -1.509 -3.097 283 HG23 VAL 33 3HG2 VAL 33 2.800 -1.716 -2.884 284 H TYR 34 H TYR 34 0.938 0.248 -3.822 285 HA TYR 34 HA TYR 34 1.682 2.755 -5.177 286 HB2 TYR 34 2HB TYR 34 -1.028 2.082 -3.941 287 HB3 TYR 34 1HB TYR 34 -0.543 3.693 -4.463 288 HD1 TYR 34 HD1 TYR 34 -1.789 0.447 -5.547 289 HD2 TYR 34 HD2 TYR 34 -0.123 4.127 -6.916 290 HE1 TYR 34 HE1 TYR 34 -2.600 -0.023 -7.823 291 HE2 TYR 34 HE2 TYR 34 -0.935 3.663 -9.178 292 HH TYR 34 HH TYR 34 -3.191 1.264 -9.868 293 H ASP 35 H ASP 35 1.978 4.494 -3.806 294 HA ASP 35 HA ASP 35 3.395 3.813 -1.450 295 HB2 ASP 35 2HB ASP 35 4.097 5.649 -2.999 296 HB3 ASP 35 1HB ASP 35 2.673 6.574 -2.536 297 H LEU 36 H LEU 36 2.689 3.742 0.567 298 HA LEU 36 HA LEU 36 0.054 4.892 1.281 299 HB2 LEU 36 2HB LEU 36 0.611 2.310 1.373 300 HB3 LEU 36 1HB LEU 36 1.466 2.714 2.845 301 HG LEU 36 HG LEU 36 -0.819 1.798 3.232 302 HD11 LEU 36 1HD1 LEU 36 0.169 3.270 4.918 303 HD12 LEU 36 2HD1 LEU 36 -1.584 3.380 4.870 304 HD13 LEU 36 3HD1 LEU 36 -0.603 4.663 4.159 305 HD21 LEU 36 1HD2 LEU 36 -1.836 4.333 1.915 306 HD22 LEU 36 2HD2 LEU 36 -2.815 3.097 2.712 307 HD23 LEU 36 3HD2 LEU 36 -1.932 2.706 1.242 308 H THR 37 H THR 37 3.453 4.906 1.863 309 HA THR 37 HA THR 37 3.871 5.727 4.437 310 HB THR 37 HB THR 37 5.309 6.614 1.902 311 HG1 THR 37 HG1 THR 37 5.205 4.287 3.259 312 HG21 THR 37 1HG2 THR 37 7.280 7.063 3.361 313 HG22 THR 37 2HG2 THR 37 6.270 6.805 4.786 314 HG23 THR 37 3HG2 THR 37 5.941 8.160 3.705 315 H LYS 38 H LYS 38 3.201 7.851 1.667 316 HA LYS 38 HA LYS 38 3.086 10.276 3.256 317 HB2 LYS 38 2HB LYS 38 4.029 10.287 0.967 318 HB3 LYS 38 1HB LYS 38 2.512 9.705 0.320 319 HG2 LYS 38 2HG LYS 38 2.607 11.981 -0.258 320 HG3 LYS 38 1HG LYS 38 1.451 11.891 1.063 321 HD2 LYS 38 2HD LYS 38 4.359 12.710 1.464 322 HD3 LYS 38 1HD LYS 38 3.087 13.864 1.074 323 HE2 LYS 38 2HE LYS 38 1.873 13.074 3.157 324 HE3 LYS 38 1HE LYS 38 3.327 12.164 3.565 325 HZ1 LYS 38 1HZ LYS 38 4.571 14.236 3.581 326 HZ2 LYS 38 2HZ LYS 38 3.277 14.303 4.669 327 HZ3 LYS 38 3HZ LYS 38 3.181 15.100 3.185 328 H PHE 39 H PHE 39 0.885 7.906 1.971 329 HA PHE 39 HA PHE 39 -1.496 9.459 1.948 330 HB2 PHE 39 2HB PHE 39 -1.127 7.406 0.572 331 HB3 PHE 39 1HB PHE 39 -1.214 6.425 2.032 332 HD1 PHE 39 HD1 PHE 39 -3.212 8.990 0.133 333 HD2 PHE 39 HD2 PHE 39 -3.319 5.501 2.609 334 HE1 PHE 39 HE1 PHE 39 -5.655 8.853 -0.143 335 HE2 PHE 39 HE2 PHE 39 -5.756 5.374 2.318 336 HZ PHE 39 HZ PHE 39 -6.918 7.052 0.950 337 H LEU 40 H LEU 40 0.056 7.512 4.447 338 HA LEU 40 HA LEU 40 -2.244 7.527 6.206 339 HB2 LEU 40 2HB LEU 40 -0.712 6.474 7.873 340 HB3 LEU 40 1HB LEU 40 -0.817 5.625 6.347 341 HG LEU 40 HG LEU 40 1.441 6.790 5.742 342 HD11 LEU 40 1HD1 LEU 40 1.569 7.152 8.747 343 HD12 LEU 40 2HD1 LEU 40 1.515 8.440 7.540 344 HD13 LEU 40 3HD1 LEU 40 2.904 7.364 7.610 345 HD21 LEU 40 1HD2 LEU 40 1.408 4.663 7.908 346 HD22 LEU 40 2HD2 LEU 40 2.756 5.026 6.824 347 HD23 LEU 40 3HD2 LEU 40 1.251 4.385 6.171 348 H GLU 41 H GLU 41 0.462 9.554 5.569 349 HA GLU 41 HA GLU 41 0.397 11.150 7.949 350 HB2 GLU 41 2HB GLU 41 1.603 11.577 5.189 351 HB3 GLU 41 1HB GLU 41 1.740 12.778 6.470 352 HG2 GLU 41 2HG GLU 41 2.782 9.935 6.614 353 HG3 GLU 41 1HG GLU 41 3.752 11.370 6.271 354 H GLU 42 H GLU 42 -1.481 11.066 5.043 355 HA GLU 42 HA GLU 42 -2.514 13.691 5.036 356 HB2 GLU 42 2HB GLU 42 -3.771 11.097 4.042 357 HB3 GLU 42 1HB GLU 42 -4.289 12.717 3.608 358 HG2 GLU 42 2HG GLU 42 -1.682 11.368 2.893 359 HG3 GLU 42 1HG GLU 42 -2.971 11.849 1.796 360 H PHE 43 H PHE 43 -3.291 10.853 6.891 361 HA PHE 43 HA PHE 43 -5.622 12.130 8.168 362 HB2 PHE 43 2HB PHE 43 -4.621 9.363 8.900 363 HB3 PHE 43 1HB PHE 43 -6.266 9.987 8.932 364 HD1 PHE 43 HD1 PHE 43 -6.929 10.880 6.346 365 HD2 PHE 43 HD2 PHE 43 -4.360 7.606 7.370 366 HE1 PHE 43 HE1 PHE 43 -7.306 9.881 4.139 367 HE2 PHE 43 HE2 PHE 43 -4.748 6.625 5.146 368 HZ PHE 43 HZ PHE 43 -6.216 7.781 3.545 369 HA PRO 44 HA PRO 44 -2.838 13.393 11.590 370 HB2 PRO 44 2HB PRO 44 -4.874 13.884 13.459 371 HB3 PRO 44 1HB PRO 44 -4.319 15.049 12.243 372 HG2 PRO 44 2HG PRO 44 -6.705 13.240 12.164 373 HG3 PRO 44 1HG PRO 44 -6.554 14.929 11.629 374 HD2 PRO 44 2HD PRO 44 -6.536 12.893 9.860 375 HD3 PRO 44 1HD PRO 44 -5.532 14.340 9.610 376 H GLY 45 H GLY 45 -1.794 11.501 12.093 377 HA2 GLY 45 2HA GLY 45 -1.192 9.691 13.385 378 HA3 GLY 45 1HA GLY 45 -2.617 9.971 14.376 379 H GLY 46 H GLY 46 -2.829 9.477 10.906 380 HA2 GLY 46 2HA GLY 46 -4.709 7.305 11.294 381 HA3 GLY 46 1HA GLY 46 -4.294 8.092 9.785 382 H GLU 47 H GLU 47 -1.524 7.053 11.440 383 HA GLU 47 HA GLU 47 -0.891 5.006 9.574 384 HB2 GLU 47 2HB GLU 47 0.787 6.437 10.668 385 HB3 GLU 47 1HB GLU 47 0.376 5.776 12.239 386 HG2 GLU 47 2HG GLU 47 1.405 3.962 10.054 387 HG3 GLU 47 1HG GLU 47 2.515 4.964 10.975 388 H GLU 48 H GLU 48 -2.122 5.012 12.878 389 HA GLU 48 HA GLU 48 -1.837 2.326 13.555 390 HB2 GLU 48 2HB GLU 48 -3.655 2.773 15.241 391 HB3 GLU 48 1HB GLU 48 -2.334 3.937 15.263 392 HG2 GLU 48 2HG GLU 48 -3.676 5.580 14.096 393 HG3 GLU 48 1HG GLU 48 -4.967 4.412 13.839 394 H VAL 49 H VAL 49 -4.433 3.826 11.673 395 HA VAL 49 HA VAL 49 -6.326 1.705 12.132 396 HB VAL 49 HB VAL 49 -7.016 4.069 11.888 397 HG11 VAL 49 1HG1 VAL 49 -5.444 4.804 10.167 398 HG12 VAL 49 2HG1 VAL 49 -7.101 5.166 9.680 399 HG13 VAL 49 3HG1 VAL 49 -6.248 3.793 8.966 400 HG21 VAL 49 1HG2 VAL 49 -9.001 3.709 10.474 401 HG22 VAL 49 2HG2 VAL 49 -8.675 2.297 11.484 402 HG23 VAL 49 3HG2 VAL 49 -8.249 2.271 9.772 403 H LEU 50 H LEU 50 -3.906 2.318 9.732 404 HA LEU 50 HA LEU 50 -5.017 0.278 7.879 405 HB2 LEU 50 2HB LEU 50 -3.457 1.476 6.182 406 HB3 LEU 50 1HB LEU 50 -4.948 2.259 6.667 407 HG LEU 50 HG LEU 50 -3.553 3.614 8.349 408 HD11 LEU 50 1HD1 LEU 50 -1.167 3.942 7.827 409 HD12 LEU 50 2HD1 LEU 50 -1.238 2.594 6.692 410 HD13 LEU 50 3HD1 LEU 50 -1.524 2.315 8.409 411 HD21 LEU 50 1HD2 LEU 50 -4.511 4.613 6.338 412 HD22 LEU 50 2HD2 LEU 50 -3.116 4.106 5.387 413 HD23 LEU 50 3HD2 LEU 50 -2.921 5.296 6.674 414 H ARG 51 H ARG 51 -2.611 0.823 10.115 415 HA ARG 51 HA ARG 51 -0.264 -0.317 9.330 416 HB2 ARG 51 2HB ARG 51 -0.355 0.654 11.488 417 HB3 ARG 51 1HB ARG 51 -1.780 -0.258 11.952 418 HG2 ARG 51 2HG ARG 51 0.157 -0.955 13.241 419 HG3 ARG 51 1HG ARG 51 -0.443 -2.276 12.252 420 HD2 ARG 51 2HD ARG 51 1.597 -1.029 10.690 421 HD3 ARG 51 1HD ARG 51 2.228 -1.109 12.341 422 HE ARG 51 HE ARG 51 1.020 -3.540 11.249 423 HH11 ARG 51 1HH1 ARG 51 4.023 -1.833 11.941 424 HH12 ARG 51 2HH1 ARG 51 4.983 -3.271 11.829 425 HH21 ARG 51 1HH2 ARG 51 2.292 -5.376 11.053 426 HH22 ARG 51 2HH2 ARG 51 4.006 -5.285 11.325 427 H GLU 52 H GLU 52 -3.207 -2.080 10.270 428 HA GLU 52 HA GLU 52 -2.027 -4.673 10.431 429 HB2 GLU 52 2HB GLU 52 -4.115 -3.974 11.614 430 HB3 GLU 52 1HB GLU 52 -4.952 -3.899 10.064 431 HG2 GLU 52 2HG GLU 52 -4.584 -6.325 9.755 432 HG3 GLU 52 1HG GLU 52 -3.738 -6.387 11.301 433 H GLN 53 H GLN 53 -4.104 -3.147 7.937 434 HA GLN 53 HA GLN 53 -3.891 -5.385 6.108 435 HB2 GLN 53 2HB GLN 53 -5.173 -2.642 5.891 436 HB3 GLN 53 1HB GLN 53 -5.114 -3.753 4.529 437 HG2 GLN 53 2HG GLN 53 -7.275 -3.923 5.555 438 HG3 GLN 53 1HG GLN 53 -6.391 -5.418 5.854 439 HE21 GLN 53 1HE2 GLN 53 -7.695 -5.948 7.616 440 HE22 GLN 53 2HE2 GLN 53 -7.584 -5.141 9.135 441 H ALA 54 H ALA 54 -1.989 -2.610 6.745 442 HA ALA 54 HA ALA 54 -0.754 -2.195 4.237 443 HB1 ALA 54 1HB ALA 54 1.094 -1.187 5.544 444 HB2 ALA 54 2HB ALA 54 0.387 -1.839 7.026 445 HB3 ALA 54 3HB ALA 54 -0.483 -0.616 6.098 446 H GLY 55 H GLY 55 1.236 -3.073 3.399 447 HA2 GLY 55 2HA GLY 55 2.751 -4.817 3.031 448 HA3 GLY 55 1HA GLY 55 2.230 -5.585 4.520 449 H GLY 56 H GLY 56 -0.404 -4.636 2.581 450 HA2 GLY 56 2HA GLY 56 -0.574 -6.830 0.776 451 HA3 GLY 56 1HA GLY 56 -1.497 -7.155 2.237 452 H ASP 57 H ASP 57 -3.392 -5.886 2.673 453 HA ASP 57 HA ASP 57 -4.894 -5.590 0.281 454 HB2 ASP 57 2HB ASP 57 -5.844 -6.501 2.395 455 HB3 ASP 57 1HB ASP 57 -5.709 -4.907 3.135 456 H ALA 58 H ALA 58 -5.868 -3.874 -0.651 457 HA ALA 58 HA ALA 58 -5.593 -1.139 0.370 458 HB1 ALA 58 1HB ALA 58 -4.722 -0.268 -1.735 459 HB2 ALA 58 2HB ALA 58 -4.707 -1.890 -2.438 460 HB3 ALA 58 3HB ALA 58 -3.625 -1.495 -1.104 461 H THR 59 H THR 59 -7.103 -3.510 -1.720 462 HA THR 59 HA THR 59 -8.842 -1.924 -3.226 463 HB THR 59 HB THR 59 -10.335 -4.017 -3.301 464 HG1 THR 59 HG1 THR 59 -9.431 -5.895 -2.362 465 HG21 THR 59 1HG2 THR 59 -8.596 -3.621 -5.010 466 HG22 THR 59 2HG2 THR 59 -8.738 -5.339 -4.625 467 HG23 THR 59 3HG2 THR 59 -7.397 -4.398 -3.971 468 H GLU 60 H GLU 60 -9.301 -3.370 -0.014 469 HA GLU 60 HA GLU 60 -11.800 -1.872 0.377 470 HB2 GLU 60 2HB GLU 60 -10.435 -3.948 2.172 471 HB3 GLU 60 1HB GLU 60 -12.039 -3.248 2.421 472 HG2 GLU 60 2HG GLU 60 -12.795 -4.249 0.268 473 HG3 GLU 60 1HG GLU 60 -11.202 -4.967 0.061 474 H ASN 61 H ASN 61 -8.527 -2.236 1.746 475 HA ASN 61 HA ASN 61 -8.835 -0.589 4.000 476 HB2 ASN 61 2HB ASN 61 -7.073 -2.250 3.894 477 HB3 ASN 61 1HB ASN 61 -6.322 -1.453 2.518 478 HD21 ASN 61 1HD2 ASN 61 -4.983 0.322 2.890 479 HD22 ASN 61 2HD2 ASN 61 -4.534 0.843 4.468 480 H PHE 62 H PHE 62 -7.066 0.214 0.958 481 HA PHE 62 HA PHE 62 -6.126 2.736 1.670 482 HB2 PHE 62 2HB PHE 62 -5.452 1.308 -0.333 483 HB3 PHE 62 1HB PHE 62 -6.883 1.880 -1.161 484 HD1 PHE 62 HD1 PHE 62 -6.987 4.312 -1.929 485 HD2 PHE 62 HD2 PHE 62 -3.455 2.673 -0.170 486 HE1 PHE 62 HE1 PHE 62 -5.653 6.178 -2.827 487 HE2 PHE 62 HE2 PHE 62 -2.133 4.543 -1.070 488 HZ PHE 62 HZ PHE 62 -3.234 6.299 -2.400 489 H GLU 63 H GLU 63 -9.300 1.812 0.519 490 HA GLU 63 HA GLU 63 -10.241 4.551 0.098 491 HB2 GLU 63 2HB GLU 63 -10.961 2.793 -1.475 492 HB3 GLU 63 1HB GLU 63 -11.660 1.865 -0.153 493 HG2 GLU 63 2HG GLU 63 -13.235 3.803 0.260 494 HG3 GLU 63 1HG GLU 63 -12.611 4.545 -1.213 495 H ASP 64 H ASP 64 -10.776 1.836 2.336 496 HA ASP 64 HA ASP 64 -13.053 2.859 3.703 497 HB2 ASP 64 2HB ASP 64 -12.631 0.476 3.760 498 HB3 ASP 64 1HB ASP 64 -11.020 0.697 4.425 499 H VAL 65 H VAL 65 -9.669 2.569 4.692 500 HA VAL 65 HA VAL 65 -9.925 4.293 6.994 501 HB VAL 65 HB VAL 65 -7.588 3.909 7.379 502 HG11 VAL 65 1HG1 VAL 65 -8.741 1.349 6.207 503 HG12 VAL 65 2HG1 VAL 65 -9.028 1.967 7.836 504 HG13 VAL 65 3HG1 VAL 65 -7.408 1.454 7.365 505 HG21 VAL 65 1HG2 VAL 65 -6.628 4.371 5.194 506 HG22 VAL 65 2HG2 VAL 65 -7.349 2.918 4.512 507 HG23 VAL 65 3HG2 VAL 65 -6.077 2.782 5.722 508 H GLY 66 H GLY 66 -9.338 4.657 3.643 509 HA2 GLY 66 2HA GLY 66 -8.035 7.232 3.708 510 HA3 GLY 66 1HA GLY 66 -8.607 6.365 2.298 511 H PHE 67 H PHE 67 -9.053 8.929 2.191 512 HA PHE 67 HA PHE 67 -11.621 9.759 3.178 513 HB2 PHE 67 2HB PHE 67 -10.134 10.829 0.748 514 HB3 PHE 67 1HB PHE 67 -11.343 11.666 1.700 515 HD1 PHE 67 HD1 PHE 67 -7.887 11.413 1.076 516 HD2 PHE 67 HD2 PHE 67 -10.656 11.967 4.300 517 HE1 PHE 67 HE1 PHE 67 -6.131 12.502 2.410 518 HE2 PHE 67 HE2 PHE 67 -8.890 13.054 5.613 519 HZ PHE 67 HZ PHE 67 -6.632 13.328 4.676 520 H SER 68 H SER 68 -13.636 9.442 2.158 521 HA SER 68 HA SER 68 -13.986 7.086 0.740 522 HB2 SER 68 2HB SER 68 -15.877 9.424 1.067 523 HB3 SER 68 1HB SER 68 -16.367 7.854 0.423 524 HG SER 68 HG SER 68 -15.721 6.921 2.385 525 H THR 69 H THR 69 -13.915 10.389 -0.591 526 HA THR 69 HA THR 69 -14.245 9.372 -3.329 527 HB THR 69 HB THR 69 -14.148 11.896 -3.901 528 HG1 THR 69 HG1 THR 69 -14.839 12.416 -1.232 529 HG21 THR 69 1HG2 THR 69 -16.272 10.630 -3.813 530 HG22 THR 69 2HG2 THR 69 -16.487 12.279 -3.218 531 HG23 THR 69 3HG2 THR 69 -16.388 10.934 -2.079 532 H ASP 70 H ASP 70 -11.935 11.327 -1.431 533 HA ASP 70 HA ASP 70 -10.113 11.898 -3.473 534 HB2 ASP 70 2HB ASP 70 -9.531 11.674 -0.499 535 HB3 ASP 70 1HB ASP 70 -8.476 12.442 -1.672 536 H ALA 71 H ALA 71 -10.035 9.215 -1.102 537 HA ALA 71 HA ALA 71 -7.505 8.176 -1.673 538 HB1 ALA 71 1HB ALA 71 -9.976 6.628 -0.808 539 HB2 ALA 71 2HB ALA 71 -8.861 7.478 0.260 540 HB3 ALA 71 3HB ALA 71 -8.289 6.090 -0.658 541 H ARG 72 H ARG 72 -10.560 7.688 -3.340 542 HA ARG 72 HA ARG 72 -9.815 5.377 -4.852 543 HB2 ARG 72 2HB ARG 72 -12.047 7.407 -5.286 544 HB3 ARG 72 1HB ARG 72 -11.902 5.884 -6.164 545 HG2 ARG 72 2HG ARG 72 -12.177 4.621 -4.078 546 HG3 ARG 72 1HG ARG 72 -12.244 6.127 -3.154 547 HD2 ARG 72 2HD ARG 72 -14.487 5.249 -3.454 548 HD3 ARG 72 1HD ARG 72 -14.325 6.752 -4.362 549 HE ARG 72 HE ARG 72 -13.777 4.595 -6.085 550 HH11 ARG 72 1HH1 ARG 72 -16.545 5.977 -4.382 551 HH12 ARG 72 2HH1 ARG 72 -17.699 5.409 -5.546 552 HH21 ARG 72 1HH2 ARG 72 -15.315 3.887 -7.612 553 HH22 ARG 72 2HH2 ARG 72 -17.000 4.228 -7.371 554 H GLU 73 H GLU 73 -9.567 8.850 -5.415 555 HA GLU 73 HA GLU 73 -8.428 8.455 -8.112 556 HB2 GLU 73 2HB GLU 73 -8.539 10.990 -8.219 557 HB3 GLU 73 1HB GLU 73 -10.091 10.174 -8.060 558 HG2 GLU 73 2HG GLU 73 -10.111 10.684 -5.643 559 HG3 GLU 73 1HG GLU 73 -8.572 11.519 -5.808 560 H LEU 74 H LEU 74 -7.421 8.908 -4.881 561 HA LEU 74 HA LEU 74 -4.776 9.959 -5.486 562 HB2 LEU 74 2HB LEU 74 -5.987 8.888 -2.903 563 HB3 LEU 74 1HB LEU 74 -4.293 9.335 -3.032 564 HG LEU 74 HG LEU 74 -6.614 11.255 -3.460 565 HD11 LEU 74 1HD1 LEU 74 -6.478 10.550 -1.118 566 HD12 LEU 74 2HD1 LEU 74 -5.999 12.234 -1.303 567 HD13 LEU 74 3HD1 LEU 74 -4.767 10.990 -1.061 568 HD21 LEU 74 1HD2 LEU 74 -3.629 11.806 -3.324 569 HD22 LEU 74 2HD2 LEU 74 -4.906 13.019 -3.450 570 HD23 LEU 74 3HD2 LEU 74 -4.640 11.885 -4.771 571 H SER 75 H SER 75 -6.304 6.900 -5.548 572 HA SER 75 HA SER 75 -4.311 5.065 -4.993 573 HB2 SER 75 2HB SER 75 -6.313 4.927 -7.293 574 HB3 SER 75 1HB SER 75 -5.469 3.551 -6.578 575 HG SER 75 HG SER 75 -6.678 4.869 -4.612 576 H LYS 76 H LYS 76 -5.014 6.421 -8.252 577 HA LYS 76 HA LYS 76 -2.583 5.492 -9.407 578 HB2 LYS 76 2HB LYS 76 -3.293 6.857 -11.421 579 HB3 LYS 76 1HB LYS 76 -4.486 5.703 -10.850 580 HG2 LYS 76 2HG LYS 76 -5.763 7.582 -11.380 581 HG3 LYS 76 1HG LYS 76 -5.589 7.677 -9.628 582 HD2 LYS 76 2HD LYS 76 -3.869 9.410 -9.859 583 HD3 LYS 76 1HD LYS 76 -3.910 9.260 -11.621 584 HE2 LYS 76 2HE LYS 76 -6.239 10.054 -11.649 585 HE3 LYS 76 1HE LYS 76 -6.247 10.145 -9.887 586 HZ1 LYS 76 1HZ LYS 76 -5.897 12.292 -10.962 587 HZ2 LYS 76 2HZ LYS 76 -4.461 11.734 -11.646 588 HZ3 LYS 76 3HZ LYS 76 -4.605 11.869 -9.966 589 H LYS 77 H LYS 77 -3.329 8.359 -7.603 590 HA LYS 77 HA LYS 77 -1.334 10.119 -8.666 591 HB2 LYS 77 2HB LYS 77 -3.396 10.814 -7.316 592 HB3 LYS 77 1HB LYS 77 -2.585 10.250 -5.867 593 HG2 LYS 77 2HG LYS 77 -1.350 12.379 -7.641 594 HG3 LYS 77 1HG LYS 77 -2.549 12.793 -6.420 595 HD2 LYS 77 2HD LYS 77 -1.105 12.076 -4.634 596 HD3 LYS 77 1HD LYS 77 0.011 11.299 -5.756 597 HE2 LYS 77 2HE LYS 77 0.995 13.370 -4.983 598 HE3 LYS 77 1HE LYS 77 0.581 13.544 -6.689 599 HZ1 LYS 77 1HZ LYS 77 -0.043 15.507 -5.516 600 HZ2 LYS 77 2HZ LYS 77 -0.923 14.629 -4.375 601 HZ3 LYS 77 3HZ LYS 77 -1.460 14.709 -5.973 602 H TYR 78 H TYR 78 -1.423 7.723 -6.088 603 HA TYR 78 HA TYR 78 1.313 8.298 -5.196 604 HB2 TYR 78 2HB TYR 78 -0.954 6.543 -4.166 605 HB3 TYR 78 1HB TYR 78 0.680 6.382 -3.531 606 HD1 TYR 78 HD1 TYR 78 -1.901 9.088 -4.130 607 HD2 TYR 78 HD2 TYR 78 1.242 7.646 -1.631 608 HE1 TYR 78 HE1 TYR 78 -2.344 10.898 -2.522 609 HE2 TYR 78 HE2 TYR 78 0.789 9.442 -0.040 610 HH TYR 78 HH TYR 78 -0.209 11.642 0.027 611 H ILE 79 H ILE 79 0.943 7.238 -7.911 612 HA ILE 79 HA ILE 79 1.629 4.469 -7.923 613 HB ILE 79 HB ILE 79 0.576 5.389 -9.890 614 HG12 ILE 79 2HG1 ILE 79 2.100 4.574 -11.698 615 HG13 ILE 79 1HG1 ILE 79 3.450 4.599 -10.571 616 HG21 ILE 79 1HG2 ILE 79 2.966 7.211 -10.304 617 HG22 ILE 79 2HG2 ILE 79 1.349 7.707 -9.800 618 HG23 ILE 79 3HG2 ILE 79 1.597 7.026 -11.409 619 HD11 ILE 79 1HD1 ILE 79 2.573 2.351 -10.951 620 HD12 ILE 79 2HD1 ILE 79 1.002 2.846 -10.326 621 HD13 ILE 79 3HD1 ILE 79 2.411 2.825 -9.260 622 H ILE 80 H ILE 80 3.385 3.804 -6.936 623 HA ILE 80 HA ILE 80 5.945 5.280 -7.132 624 HB ILE 80 HB ILE 80 4.998 4.844 -4.851 625 HG12 ILE 80 2HG1 ILE 80 7.630 3.345 -5.272 626 HG13 ILE 80 1HG1 ILE 80 7.488 5.098 -5.205 627 HG21 ILE 80 1HG2 ILE 80 4.991 2.576 -3.893 628 HG22 ILE 80 2HG2 ILE 80 5.478 1.907 -5.451 629 HG23 ILE 80 3HG2 ILE 80 3.904 2.688 -5.282 630 HD11 ILE 80 1HD1 ILE 80 8.263 4.213 -3.096 631 HD12 ILE 80 2HD1 ILE 80 6.839 3.183 -2.964 632 HD13 ILE 80 3HD1 ILE 80 6.669 4.940 -2.896 633 H GLY 81 H GLY 81 4.304 2.359 -8.008 634 HA2 GLY 81 2HA GLY 81 5.831 1.636 -10.138 635 HA3 GLY 81 1HA GLY 81 6.636 0.842 -8.785 636 H GLU 82 H GLU 82 6.057 -1.232 -9.759 637 HA GLU 82 HA GLU 82 3.284 -2.019 -9.034 638 HB2 GLU 82 2HB GLU 82 3.360 -3.768 -10.755 639 HB3 GLU 82 1HB GLU 82 3.559 -2.171 -11.467 640 HG2 GLU 82 2HG GLU 82 5.933 -2.521 -11.756 641 HG3 GLU 82 1HG GLU 82 5.867 -4.053 -10.882 642 H LEU 83 H LEU 83 3.042 -4.030 -7.991 643 HA LEU 83 HA LEU 83 5.280 -4.892 -6.379 644 HB2 LEU 83 2HB LEU 83 2.732 -4.745 -5.757 645 HB3 LEU 83 1HB LEU 83 2.570 -6.285 -6.566 646 HG LEU 83 HG LEU 83 2.715 -6.458 -4.082 647 HD11 LEU 83 1HD1 LEU 83 5.096 -7.786 -5.386 648 HD12 LEU 83 2HD1 LEU 83 3.436 -8.378 -5.428 649 HD13 LEU 83 3HD1 LEU 83 4.289 -8.274 -3.891 650 HD21 LEU 83 1HD2 LEU 83 4.169 -4.549 -3.666 651 HD22 LEU 83 2HD2 LEU 83 5.535 -5.404 -4.390 652 HD23 LEU 83 3HD2 LEU 83 4.799 -6.007 -2.903 653 H HIS 84 H HIS 84 6.229 -6.953 -6.495 654 HA HIS 84 HA HIS 84 6.898 -7.884 -9.055 655 HB2 HIS 84 2HB HIS 84 8.329 -7.973 -6.923 656 HB3 HIS 84 1HB HIS 84 7.376 -9.361 -6.419 657 HD1 HIS 84 HD1 HIS 84 8.543 -11.513 -6.949 658 HD2 HIS 84 HD2 HIS 84 9.475 -8.502 -9.663 659 HE1 HIS 84 HE1 HIS 84 10.094 -12.564 -8.632 660 HE2 HIS 84 HE2 HIS 84 10.628 -10.721 -10.264 661 HA PRO 85 HA PRO 85 3.183 -10.203 -9.931 662 HB2 PRO 85 2HB PRO 85 4.324 -12.092 -11.712 663 HB3 PRO 85 1HB PRO 85 3.757 -10.470 -12.140 664 HG2 PRO 85 2HG PRO 85 6.545 -11.376 -11.493 665 HG3 PRO 85 1HG PRO 85 5.985 -10.278 -12.782 666 HD2 PRO 85 2HD PRO 85 7.087 -9.262 -10.598 667 HD3 PRO 85 1HD PRO 85 5.637 -8.486 -11.278 668 H ASP 86 H ASP 86 6.094 -12.008 -9.054 669 HA ASP 86 HA ASP 86 4.764 -14.449 -8.326 670 HB2 ASP 86 2HB ASP 86 7.136 -14.327 -9.123 671 HB3 ASP 86 1HB ASP 86 7.584 -13.479 -7.649 672 H ASP 87 H ASP 87 5.918 -11.597 -6.573 673 HA ASP 87 HA ASP 87 5.782 -12.735 -3.959 674 HB2 ASP 87 2HB ASP 87 6.302 -9.980 -5.050 675 HB3 ASP 87 1HB ASP 87 5.871 -10.111 -3.352 676 H ARG 88 H ARG 88 3.498 -10.744 -5.829 677 HA ARG 88 HA ARG 88 1.683 -10.271 -3.682 678 HB2 ARG 88 2HB ARG 88 0.077 -9.638 -5.494 679 HB3 ARG 88 1HB ARG 88 1.630 -8.830 -5.597 680 HG2 ARG 88 2HG ARG 88 1.325 -9.351 -7.823 681 HG3 ARG 88 1HG ARG 88 2.183 -10.799 -7.303 682 HD2 ARG 88 2HD ARG 88 0.004 -11.967 -7.027 683 HD3 ARG 88 1HD ARG 88 -0.831 -10.520 -7.604 684 HE ARG 88 HE ARG 88 1.061 -11.308 -9.530 685 HH11 ARG 88 1HH1 ARG 88 -1.976 -12.484 -8.163 686 HH12 ARG 88 2HH1 ARG 88 -2.413 -13.342 -9.614 687 HH21 ARG 88 1HH2 ARG 88 0.467 -12.425 -11.391 688 HH22 ARG 88 2HH2 ARG 88 -1.031 -13.305 -11.430 689 H SER 89 H SER 89 2.271 -12.993 -5.665 690 HA SER 89 HA SER 89 -0.135 -14.454 -4.880 691 HB2 SER 89 2HB SER 89 0.801 -14.678 -7.178 692 HB3 SER 89 1HB SER 89 2.284 -15.354 -6.509 693 HG SER 89 HG SER 89 0.861 -16.978 -7.223 694 H LYS 90 H LYS 90 3.328 -14.302 -4.083 695 HA LYS 90 HA LYS 90 3.647 -16.594 -2.500 696 HB2 LYS 90 2HB LYS 90 5.002 -13.874 -2.398 697 HB3 LYS 90 1HB LYS 90 5.441 -15.146 -1.267 698 HG2 LYS 90 2HG LYS 90 6.278 -16.548 -3.040 699 HG3 LYS 90 1HG LYS 90 5.659 -15.445 -4.277 700 HD2 LYS 90 2HD LYS 90 8.135 -15.211 -3.870 701 HD3 LYS 90 1HD LYS 90 7.233 -13.717 -3.636 702 HE2 LYS 90 2HE LYS 90 7.274 -14.129 -1.171 703 HE3 LYS 90 1HE LYS 90 8.271 -15.557 -1.453 704 HZ1 LYS 90 1HZ LYS 90 9.989 -14.161 -2.370 705 HZ2 LYS 90 2HZ LYS 90 9.566 -13.577 -0.841 706 HZ3 LYS 90 3HZ LYS 90 9.018 -12.785 -2.231 707 H ILE 91 H ILE 91 3.320 -13.283 -1.232 708 HA ILE 91 HA ILE 91 2.251 -14.313 1.322 709 HB ILE 91 HB ILE 91 3.334 -11.491 0.775 710 HG12 ILE 91 2HG1 ILE 91 4.962 -13.858 1.832 711 HG13 ILE 91 1HG1 ILE 91 5.097 -13.208 0.203 712 HG21 ILE 91 1HG2 ILE 91 3.691 -11.417 3.223 713 HG22 ILE 91 2HG2 ILE 91 3.064 -13.058 3.380 714 HG23 ILE 91 3HG2 ILE 91 1.999 -11.755 2.847 715 HD11 ILE 91 1HD1 ILE 91 6.901 -12.436 1.593 716 HD12 ILE 91 2HD1 ILE 91 5.766 -11.757 2.755 717 HD13 ILE 91 3HD1 ILE 91 5.875 -11.078 1.128 718 H ALA 92 H ALA 92 0.385 -14.489 -0.533 719 HA ALA 92 HA ALA 92 -1.142 -12.278 -1.289 720 HB1 ALA 92 1HB ALA 92 -2.142 -15.083 -0.671 721 HB2 ALA 92 2HB ALA 92 -1.471 -14.535 -2.209 722 HB3 ALA 92 3HB ALA 92 -2.991 -13.859 -1.627 723 H LYS 93 H LYS 93 -1.011 -14.023 1.750 724 HA LYS 93 HA LYS 93 -1.841 -11.721 3.195 725 HB2 LYS 93 2HB LYS 93 -3.790 -12.760 4.374 726 HB3 LYS 93 1HB LYS 93 -4.072 -12.504 2.659 727 HG2 LYS 93 2HG LYS 93 -3.422 -14.994 2.352 728 HG3 LYS 93 1HG LYS 93 -3.608 -15.122 4.102 729 HD2 LYS 93 2HD LYS 93 -5.745 -14.270 2.116 730 HD3 LYS 93 1HD LYS 93 -5.666 -15.813 2.965 731 HE2 LYS 93 2HE LYS 93 -6.062 -14.703 5.100 732 HE3 LYS 93 1HE LYS 93 -5.994 -13.117 4.325 733 HZ1 LYS 93 1HZ LYS 93 -8.265 -13.837 4.705 734 HZ2 LYS 93 2HZ LYS 93 -8.013 -15.216 3.764 735 HZ3 LYS 93 3HZ LYS 93 -7.952 -13.687 3.048 736 HA PRO 94 HA PRO 94 0.786 -14.170 6.058 737 HB2 PRO 94 2HB PRO 94 1.584 -12.157 7.669 738 HB3 PRO 94 1HB PRO 94 2.195 -12.265 6.003 739 HG2 PRO 94 2HG PRO 94 0.035 -10.501 7.106 740 HG3 PRO 94 1HG PRO 94 1.331 -10.103 5.957 741 HD2 PRO 94 2HD PRO 94 -1.282 -10.723 5.216 742 HD3 PRO 94 1HD PRO 94 0.130 -10.877 4.147 743 H SER 95 H SER 95 0.781 -14.277 8.557 744 HA SER 95 HA SER 95 -1.772 -13.608 9.848 745 HB2 SER 95 2HB SER 95 -0.687 -16.465 9.649 746 HB3 SER 95 1HB SER 95 -2.093 -15.965 10.590 747 HG SER 95 HG SER 95 -2.877 -15.154 8.427 748 H GLU 96 H GLU 96 -1.498 -14.849 12.205 749 HA GLU 96 HA GLU 96 0.715 -13.551 13.516 750 HB2 GLU 96 2HB GLU 96 -1.512 -13.722 14.581 751 HB3 GLU 96 1HB GLU 96 -1.406 -15.479 14.574 752 HG2 GLU 96 2HG GLU 96 0.512 -15.356 16.134 753 HG3 GLU 96 1HG GLU 96 0.390 -13.600 16.142 754 H THR 97 H THR 97 -0.276 -16.938 12.900 755 HA THR 97 HA THR 97 2.107 -18.125 13.955 756 HB THR 97 HB THR 97 -0.024 -19.411 13.836 757 HG1 THR 97 HG1 THR 97 2.159 -20.412 13.771 758 HG21 THR 97 1HG2 THR 97 0.455 -19.554 10.837 759 HG22 THR 97 2HG2 THR 97 -0.855 -18.669 11.620 760 HG23 THR 97 3HG2 THR 97 -0.786 -20.430 11.736 761 H LEU 98 H LEU 98 1.069 -17.025 10.787 762 HA LEU 98 HA LEU 98 3.508 -17.986 9.461 763 HB2 LEU 98 2HB LEU 98 1.238 -18.367 8.410 764 HB3 LEU 98 1HB LEU 98 1.040 -16.626 8.297 765 HG LEU 98 HG LEU 98 3.058 -16.547 6.775 766 HD11 LEU 98 1HD1 LEU 98 2.838 -19.575 6.781 767 HD12 LEU 98 2HD1 LEU 98 4.162 -18.622 7.462 768 HD13 LEU 98 3HD1 LEU 98 3.869 -18.602 5.726 769 HD21 LEU 98 1HD2 LEU 98 0.749 -18.256 5.793 770 HD22 LEU 98 2HD2 LEU 98 1.868 -17.329 4.789 771 HD23 LEU 98 3HD2 LEU 98 0.769 -16.492 5.883 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 17.130 -3.854 -4.355 2 H2 ALA 1 2H ALA 1 15.853 -4.198 -5.400 3 H3 ALA 1 3H ALA 1 15.913 -4.925 -3.882 4 HA ALA 1 HA ALA 1 14.287 -3.150 -3.960 5 HB1 ALA 1 1HB ALA 1 15.391 -3.727 -1.831 6 HB2 ALA 1 2HB ALA 1 15.045 -1.998 -1.907 7 HB3 ALA 1 3HB ALA 1 16.689 -2.582 -2.183 8 H GLU 2 H GLU 2 17.635 -1.913 -4.248 9 HA GLU 2 HA GLU 2 16.668 0.647 -5.353 10 HB2 GLU 2 2HB GLU 2 19.454 -0.144 -4.376 11 HB3 GLU 2 1HB GLU 2 18.947 1.476 -4.851 12 HG2 GLU 2 2HG GLU 2 17.314 1.472 -2.944 13 HG3 GLU 2 1HG GLU 2 17.938 -0.105 -2.462 14 H GLN 3 H GLN 3 16.104 -0.599 -7.331 15 HA GLN 3 HA GLN 3 18.284 -1.501 -9.075 16 HB2 GLN 3 2HB GLN 3 16.562 -2.260 -10.601 17 HB3 GLN 3 1HB GLN 3 16.130 -2.781 -8.985 18 HG2 GLN 3 2HG GLN 3 14.947 -0.292 -10.227 19 HG3 GLN 3 1HG GLN 3 14.253 -1.870 -10.518 20 HE21 GLN 3 1HE2 GLN 3 13.187 -2.929 -8.798 21 HE22 GLN 3 2HE2 GLN 3 12.684 -2.086 -7.378 22 H SER 4 H SER 4 18.062 -0.782 -11.467 23 HA SER 4 HA SER 4 18.432 2.027 -11.716 24 HB2 SER 4 2HB SER 4 18.469 1.434 -14.241 25 HB3 SER 4 1HB SER 4 19.678 0.662 -13.217 26 HG SER 4 HG SER 4 17.221 -0.506 -14.051 27 H ASP 5 H ASP 5 15.632 -0.053 -12.165 28 HA ASP 5 HA ASP 5 13.965 1.821 -13.547 29 HB2 ASP 5 2HB ASP 5 13.092 -0.537 -11.815 30 HB3 ASP 5 1HB ASP 5 12.104 0.302 -13.006 31 H LYS 6 H LYS 6 14.215 3.730 -12.438 32 HA LYS 6 HA LYS 6 13.687 4.217 -9.673 33 HB2 LYS 6 2HB LYS 6 13.505 6.225 -11.960 34 HB3 LYS 6 1HB LYS 6 13.773 6.588 -10.259 35 HG2 LYS 6 2HG LYS 6 16.010 5.560 -10.383 36 HG3 LYS 6 1HG LYS 6 15.733 5.135 -12.073 37 HD2 LYS 6 2HD LYS 6 15.795 7.991 -10.999 38 HD3 LYS 6 1HD LYS 6 17.165 7.180 -11.750 39 HE2 LYS 6 2HE LYS 6 16.202 8.589 -13.422 40 HE3 LYS 6 1HE LYS 6 15.754 6.943 -13.851 41 HZ1 LYS 6 1HZ LYS 6 13.972 8.851 -12.424 42 HZ2 LYS 6 2HZ LYS 6 13.537 7.335 -13.039 43 HZ3 LYS 6 3HZ LYS 6 13.945 8.590 -14.087 44 H ASP 7 H ASP 7 11.873 4.847 -12.650 45 HA ASP 7 HA ASP 7 9.358 5.367 -11.226 46 HB2 ASP 7 2HB ASP 7 10.088 5.500 -14.192 47 HB3 ASP 7 1HB ASP 7 8.501 5.898 -13.535 48 H VAL 8 H VAL 8 7.633 3.997 -11.263 49 HA VAL 8 HA VAL 8 6.600 2.031 -11.076 50 HB VAL 8 HB VAL 8 7.553 1.471 -13.914 51 HG11 VAL 8 1HG1 VAL 8 6.627 -0.529 -12.824 52 HG12 VAL 8 2HG1 VAL 8 5.524 0.048 -14.074 53 HG13 VAL 8 3HG1 VAL 8 5.171 0.363 -12.373 54 HG21 VAL 8 1HG2 VAL 8 5.426 2.499 -14.664 55 HG22 VAL 8 2HG2 VAL 8 6.428 3.667 -13.804 56 HG23 VAL 8 3HG2 VAL 8 5.039 2.935 -12.995 57 H LYS 9 H LYS 9 7.982 1.383 -9.425 58 HA LYS 9 HA LYS 9 10.289 -0.330 -9.955 59 HB2 LYS 9 2HB LYS 9 9.087 0.343 -7.238 60 HB3 LYS 9 1HB LYS 9 10.743 -0.141 -7.610 61 HG2 LYS 9 2HG LYS 9 11.138 2.041 -8.712 62 HG3 LYS 9 1HG LYS 9 9.463 2.504 -8.393 63 HD2 LYS 9 2HD LYS 9 10.865 3.566 -6.735 64 HD3 LYS 9 1HD LYS 9 9.926 2.307 -5.927 65 HE2 LYS 9 2HE LYS 9 12.234 2.289 -5.130 66 HE3 LYS 9 1HE LYS 9 11.910 0.804 -6.031 67 HZ1 LYS 9 1HZ LYS 9 14.034 1.697 -6.658 68 HZ2 LYS 9 2HZ LYS 9 13.363 3.201 -7.020 69 HZ3 LYS 9 3HZ LYS 9 12.979 1.859 -7.973 70 H TYR 10 H TYR 10 10.237 -2.561 -9.779 71 HA TYR 10 HA TYR 10 7.819 -3.961 -9.061 72 HB2 TYR 10 2HB TYR 10 10.621 -4.904 -9.774 73 HB3 TYR 10 1HB TYR 10 9.421 -6.024 -9.140 74 HD1 TYR 10 HD1 TYR 10 7.634 -6.852 -10.522 75 HD2 TYR 10 HD2 TYR 10 10.188 -3.757 -11.990 76 HE1 TYR 10 HE1 TYR 10 6.701 -7.151 -12.781 77 HE2 TYR 10 HE2 TYR 10 9.259 -4.061 -14.246 78 HH TYR 10 HH TYR 10 6.445 -5.633 -14.870 79 H TYR 11 H TYR 11 7.293 -3.395 -7.001 80 HA TYR 11 HA TYR 11 9.156 -3.698 -4.783 81 HB2 TYR 11 2HB TYR 11 6.278 -2.843 -5.061 82 HB3 TYR 11 1HB TYR 11 6.755 -3.508 -3.503 83 HD1 TYR 11 HD1 TYR 11 7.308 -0.700 -5.872 84 HD2 TYR 11 HD2 TYR 11 8.266 -2.337 -2.046 85 HE1 TYR 11 HE1 TYR 11 8.340 1.432 -5.215 86 HE2 TYR 11 HE2 TYR 11 9.286 -0.215 -1.390 87 HH TYR 11 HH TYR 11 10.262 1.748 -2.378 88 H THR 12 H THR 12 9.221 -5.326 -3.329 89 HA THR 12 HA THR 12 7.779 -7.825 -3.953 90 HB THR 12 HB THR 12 9.431 -8.821 -2.267 91 HG1 THR 12 HG1 THR 12 9.917 -6.551 -1.466 92 HG21 THR 12 1HG2 THR 12 10.634 -7.501 -4.733 93 HG22 THR 12 2HG2 THR 12 9.825 -9.070 -4.686 94 HG23 THR 12 3HG2 THR 12 11.354 -8.842 -3.836 95 H LEU 13 H LEU 13 6.157 -8.466 -2.656 96 HA LEU 13 HA LEU 13 4.969 -6.724 -0.797 97 HB2 LEU 13 2HB LEU 13 3.862 -8.493 -2.280 98 HB3 LEU 13 1HB LEU 13 4.364 -9.689 -1.098 99 HG LEU 13 HG LEU 13 2.928 -8.674 0.614 100 HD11 LEU 13 1HD1 LEU 13 1.456 -6.763 0.106 101 HD12 LEU 13 2HD1 LEU 13 2.236 -6.571 -1.466 102 HD13 LEU 13 3HD1 LEU 13 3.158 -6.315 0.019 103 HD21 LEU 13 1HD2 LEU 13 1.895 -10.314 -0.896 104 HD22 LEU 13 2HD2 LEU 13 1.429 -9.021 -2.003 105 HD23 LEU 13 3HD2 LEU 13 0.724 -9.097 -0.386 106 H GLU 14 H GLU 14 7.261 -9.284 -0.450 107 HA GLU 14 HA GLU 14 7.114 -9.845 2.302 108 HB2 GLU 14 2HB GLU 14 8.307 -11.154 0.506 109 HB3 GLU 14 1HB GLU 14 9.572 -9.933 0.511 110 HG2 GLU 14 2HG GLU 14 10.152 -10.490 2.805 111 HG3 GLU 14 1HG GLU 14 8.801 -11.620 2.914 112 H GLU 15 H GLU 15 9.010 -7.390 0.497 113 HA GLU 15 HA GLU 15 10.284 -6.197 2.745 114 HB2 GLU 15 2HB GLU 15 9.787 -5.347 -0.099 115 HB3 GLU 15 1HB GLU 15 10.192 -4.074 1.043 116 HG2 GLU 15 2HG GLU 15 11.880 -6.505 0.407 117 HG3 GLU 15 1HG GLU 15 12.181 -4.841 -0.098 118 H ILE 16 H ILE 16 7.128 -5.756 1.314 119 HA ILE 16 HA ILE 16 6.481 -3.296 2.675 120 HB ILE 16 HB ILE 16 4.561 -5.221 1.280 121 HG12 ILE 16 2HG1 ILE 16 6.201 -2.940 0.072 122 HG13 ILE 16 1HG1 ILE 16 6.361 -4.649 -0.301 123 HG21 ILE 16 1HG2 ILE 16 4.354 -2.239 1.829 124 HG22 ILE 16 2HG2 ILE 16 3.490 -3.510 2.695 125 HG23 ILE 16 3HG2 ILE 16 3.152 -3.223 0.989 126 HD11 ILE 16 1HD1 ILE 16 3.990 -2.902 -0.936 127 HD12 ILE 16 2HD1 ILE 16 4.109 -4.633 -1.270 128 HD13 ILE 16 3HD1 ILE 16 5.204 -3.505 -2.066 129 H GLN 17 H GLN 17 6.167 -6.700 3.310 130 HA GLN 17 HA GLN 17 4.298 -6.720 5.422 131 HB2 GLN 17 2HB GLN 17 5.114 -8.752 4.240 132 HB3 GLN 17 1HB GLN 17 6.711 -8.529 4.943 133 HG2 GLN 17 2HG GLN 17 5.754 -8.916 7.196 134 HG3 GLN 17 1HG GLN 17 4.164 -9.151 6.468 135 HE21 GLN 17 1HE2 GLN 17 4.030 -11.270 7.291 136 HE22 GLN 17 2HE2 GLN 17 4.953 -12.574 6.631 137 H LYS 18 H LYS 18 7.619 -5.655 5.253 138 HA LYS 18 HA LYS 18 8.049 -5.357 8.117 139 HB2 LYS 18 2HB LYS 18 9.878 -5.804 6.365 140 HB3 LYS 18 1HB LYS 18 9.647 -4.159 5.795 141 HG2 LYS 18 2HG LYS 18 10.171 -3.489 8.284 142 HG3 LYS 18 1HG LYS 18 10.841 -5.113 8.409 143 HD2 LYS 18 2HD LYS 18 11.736 -3.055 6.349 144 HD3 LYS 18 1HD LYS 18 12.516 -3.285 7.909 145 HE2 LYS 18 2HE LYS 18 13.842 -4.464 6.332 146 HE3 LYS 18 1HE LYS 18 12.943 -5.696 7.210 147 HZ1 LYS 18 1HZ LYS 18 11.449 -5.912 5.363 148 HZ2 LYS 18 2HZ LYS 18 13.032 -6.069 4.802 149 HZ3 LYS 18 3HZ LYS 18 12.188 -4.629 4.542 150 H HIS 19 H HIS 19 5.668 -4.120 7.514 151 HA HIS 19 HA HIS 19 5.922 -1.333 6.768 152 HB2 HIS 19 2HB HIS 19 3.380 -1.348 7.296 153 HB3 HIS 19 1HB HIS 19 3.940 -2.359 5.972 154 HD1 HIS 19 HD1 HIS 19 3.059 -4.647 5.975 155 HD2 HIS 19 HD2 HIS 19 3.075 -3.038 9.808 156 HE1 HIS 19 HE1 HIS 19 2.040 -6.402 7.460 157 HE2 HIS 19 HE2 HIS 19 1.881 -5.324 9.718 158 H LYS 20 H LYS 20 7.206 -2.313 9.362 159 HA LYS 20 HA LYS 20 5.835 -1.236 11.591 160 HB2 LYS 20 2HB LYS 20 7.785 -2.941 11.529 161 HB3 LYS 20 1HB LYS 20 8.866 -1.557 11.389 162 HG2 LYS 20 2HG LYS 20 8.744 -2.283 13.705 163 HG3 LYS 20 1HG LYS 20 7.985 -0.693 13.560 164 HD2 LYS 20 2HD LYS 20 5.751 -1.762 13.532 165 HD3 LYS 20 1HD LYS 20 6.503 -3.353 13.646 166 HE2 LYS 20 2HE LYS 20 6.691 -1.176 15.754 167 HE3 LYS 20 1HE LYS 20 5.609 -2.568 15.812 168 HZ1 LYS 20 1HZ LYS 20 8.576 -2.705 15.765 169 HZ2 LYS 20 2HZ LYS 20 7.525 -4.028 15.858 170 HZ3 LYS 20 3HZ LYS 20 7.599 -2.913 17.125 171 H ASP 21 H ASP 21 7.969 0.123 9.220 172 HA ASP 21 HA ASP 21 8.017 2.770 10.497 173 HB2 ASP 21 2HB ASP 21 9.383 1.837 7.928 174 HB3 ASP 21 1HB ASP 21 9.657 3.356 8.778 175 H SER 22 H SER 22 6.924 4.482 9.581 176 HA SER 22 HA SER 22 4.769 4.232 7.817 177 HB2 SER 22 2HB SER 22 6.488 6.677 8.411 178 HB3 SER 22 1HB SER 22 4.915 6.723 7.613 179 HG SER 22 HG SER 22 4.426 5.397 9.752 180 H LYS 23 H LYS 23 8.181 4.782 7.238 181 HA LYS 23 HA LYS 23 7.915 5.453 4.453 182 HB2 LYS 23 2HB LYS 23 10.426 5.422 4.449 183 HB3 LYS 23 1HB LYS 23 9.702 6.500 5.626 184 HG2 LYS 23 2HG LYS 23 11.386 5.583 6.899 185 HG3 LYS 23 1HG LYS 23 10.065 4.496 7.296 186 HD2 LYS 23 2HD LYS 23 12.069 3.188 6.923 187 HD3 LYS 23 1HD LYS 23 10.951 2.872 5.596 188 HE2 LYS 23 2HE LYS 23 12.238 4.428 4.153 189 HE3 LYS 23 1HE LYS 23 13.345 4.749 5.491 190 HZ1 LYS 23 1HZ LYS 23 14.019 2.448 5.470 191 HZ2 LYS 23 2HZ LYS 23 14.219 3.100 3.924 192 HZ3 LYS 23 3HZ LYS 23 12.913 2.081 4.257 193 H SER 24 H SER 24 7.871 2.549 6.138 194 HA SER 24 HA SER 24 8.562 0.978 3.723 195 HB2 SER 24 2HB SER 24 9.991 0.578 5.755 196 HB3 SER 24 1HB SER 24 8.556 0.047 6.630 197 HG SER 24 HG SER 24 8.364 -1.679 5.196 198 H THR 25 H THR 25 5.938 2.336 4.609 199 HA THR 25 HA THR 25 4.159 -0.029 4.746 200 HB THR 25 HB THR 25 3.602 2.899 5.418 201 HG1 THR 25 HG1 THR 25 4.789 1.341 6.917 202 HG21 THR 25 1HG2 THR 25 1.568 1.846 4.454 203 HG22 THR 25 2HG2 THR 25 1.367 2.177 6.174 204 HG23 THR 25 3HG2 THR 25 1.693 0.532 5.628 205 H TRP 26 H TRP 26 3.403 -0.619 2.820 206 HA TRP 26 HA TRP 26 2.396 1.341 0.865 207 HB2 TRP 26 2HB TRP 26 4.166 -1.051 0.114 208 HB3 TRP 26 1HB TRP 26 3.416 0.061 -1.023 209 HD1 TRP 26 HD TRP 26 4.348 2.732 -0.732 210 HE1 TRP 26 HE1 TRP 26 6.743 3.542 -0.368 211 HE3 TRP 26 HE3 TRP 26 6.351 -1.582 1.093 212 HZ2 TRP 26 HZ2 TRP 26 9.184 2.484 0.566 213 HZ3 TRP 26 HZ3 TRP 26 8.732 -1.611 1.696 214 HH2 TRP 26 HH TRP 26 10.120 0.383 1.440 215 H VAL 27 H VAL 27 0.870 0.201 -0.685 216 HA VAL 27 HA VAL 27 -0.386 -2.219 0.495 217 HB VAL 27 HB VAL 27 -2.649 -1.276 -0.051 218 HG11 VAL 27 1HG1 VAL 27 -1.100 0.307 2.025 219 HG12 VAL 27 2HG1 VAL 27 -1.896 -1.249 2.266 220 HG13 VAL 27 3HG1 VAL 27 -2.860 0.185 1.923 221 HG21 VAL 27 1HG2 VAL 27 -1.956 0.413 -1.703 222 HG22 VAL 27 2HG2 VAL 27 -1.174 1.357 -0.433 223 HG23 VAL 27 3HG2 VAL 27 -2.924 1.137 -0.419 224 H ILE 28 H ILE 28 -1.608 -3.514 -0.970 225 HA ILE 28 HA ILE 28 -1.165 -2.981 -3.839 226 HB ILE 28 HB ILE 28 -0.509 -5.261 -4.298 227 HG12 ILE 28 2HG1 ILE 28 0.052 -6.668 -1.948 228 HG13 ILE 28 1HG1 ILE 28 -1.455 -5.878 -1.526 229 HG21 ILE 28 1HG2 ILE 28 1.658 -5.381 -3.064 230 HG22 ILE 28 2HG2 ILE 28 1.082 -4.128 -1.972 231 HG23 ILE 28 3HG2 ILE 28 1.300 -3.773 -3.687 232 HD11 ILE 28 1HD1 ILE 28 -1.025 -7.688 -3.901 233 HD12 ILE 28 2HD1 ILE 28 -2.557 -6.948 -3.426 234 HD13 ILE 28 3HD1 ILE 28 -1.785 -8.137 -2.375 235 H LEU 29 H LEU 29 -2.923 -3.237 -5.062 236 HA LEU 29 HA LEU 29 -5.486 -3.621 -3.869 237 HB2 LEU 29 2HB LEU 29 -4.591 -3.400 -6.769 238 HB3 LEU 29 1HB LEU 29 -6.268 -3.666 -6.344 239 HG LEU 29 HG LEU 29 -5.766 -1.293 -6.914 240 HD11 LEU 29 1HD1 LEU 29 -6.663 -1.639 -4.046 241 HD12 LEU 29 2HD1 LEU 29 -7.677 -1.768 -5.484 242 HD13 LEU 29 3HD1 LEU 29 -6.939 -0.225 -5.070 243 HD21 LEU 29 1HD2 LEU 29 -4.089 -1.226 -4.392 244 HD22 LEU 29 2HD2 LEU 29 -4.483 0.148 -5.428 245 HD23 LEU 29 3HD2 LEU 29 -3.472 -1.156 -6.042 246 H HIS 30 H HIS 30 -3.445 -5.544 -6.018 247 HA HIS 30 HA HIS 30 -4.136 -8.038 -4.934 248 HB2 HIS 30 2HB HIS 30 -5.309 -9.063 -6.897 249 HB3 HIS 30 1HB HIS 30 -6.255 -7.820 -6.093 250 HD1 HIS 30 HD1 HIS 30 -4.608 -8.628 -9.331 251 HD2 HIS 30 HD2 HIS 30 -6.738 -5.500 -7.634 252 HE1 HIS 30 HE1 HIS 30 -5.212 -7.122 -11.237 253 HE2 HIS 30 HE2 HIS 30 -6.709 -5.388 -10.205 254 H HIS 31 H HIS 31 -2.716 -6.172 -7.578 255 HA HIS 31 HA HIS 31 -0.586 -8.199 -7.929 256 HB2 HIS 31 2HB HIS 31 -2.465 -8.437 -9.657 257 HB3 HIS 31 1HB HIS 31 -1.967 -6.883 -10.304 258 HD1 HIS 31 HD1 HIS 31 0.639 -6.862 -11.204 259 HD2 HIS 31 HD2 HIS 31 -1.153 -10.580 -10.733 260 HE1 HIS 31 HE1 HIS 31 1.954 -8.436 -12.642 261 HE2 HIS 31 HE2 HIS 31 0.737 -10.619 -12.487 262 H LYS 32 H LYS 32 -1.536 -4.868 -7.860 263 HA LYS 32 HA LYS 32 1.135 -3.927 -8.755 264 HB2 LYS 32 2HB LYS 32 -0.732 -3.314 -10.298 265 HB3 LYS 32 1HB LYS 32 -1.564 -2.512 -8.971 266 HG2 LYS 32 2HG LYS 32 0.183 -0.828 -8.817 267 HG3 LYS 32 1HG LYS 32 1.166 -1.674 -10.011 268 HD2 LYS 32 2HD LYS 32 -1.558 -0.428 -10.559 269 HD3 LYS 32 1HD LYS 32 -0.006 0.311 -10.951 270 HE2 LYS 32 2HE LYS 32 0.499 -1.592 -12.468 271 HE3 LYS 32 1HE LYS 32 -1.084 -2.286 -12.103 272 HZ1 LYS 32 1HZ LYS 32 -0.573 0.329 -13.424 273 HZ2 LYS 32 2HZ LYS 32 -2.100 -0.261 -13.020 274 HZ3 LYS 32 3HZ LYS 32 -1.159 -1.069 -14.167 275 H VAL 33 H VAL 33 2.032 -2.102 -7.555 276 HA VAL 33 HA VAL 33 1.022 -1.932 -4.775 277 HB VAL 33 HB VAL 33 3.326 -2.939 -5.025 278 HG11 VAL 33 1HG1 VAL 33 4.150 -1.644 -6.944 279 HG12 VAL 33 2HG1 VAL 33 5.254 -1.518 -5.576 280 HG13 VAL 33 3HG1 VAL 33 4.173 -0.178 -5.962 281 HG21 VAL 33 1HG2 VAL 33 3.219 -0.309 -3.508 282 HG22 VAL 33 2HG2 VAL 33 4.385 -1.606 -3.227 283 HG23 VAL 33 3HG2 VAL 33 2.669 -1.880 -2.921 284 H TYR 34 H TYR 34 0.624 0.016 -3.904 285 HA TYR 34 HA TYR 34 1.341 2.492 -5.341 286 HB2 TYR 34 2HB TYR 34 -1.268 1.849 -3.886 287 HB3 TYR 34 1HB TYR 34 -0.788 3.487 -4.327 288 HD1 TYR 34 HD1 TYR 34 -1.222 4.312 -6.526 289 HD2 TYR 34 HD2 TYR 34 -1.562 0.127 -5.782 290 HE1 TYR 34 HE1 TYR 34 -2.229 4.003 -8.743 291 HE2 TYR 34 HE2 TYR 34 -2.573 -0.183 -8.005 292 HH TYR 34 HH TYR 34 -3.841 1.183 -9.647 293 H ASP 35 H ASP 35 1.791 4.255 -4.012 294 HA ASP 35 HA ASP 35 3.377 3.495 -1.777 295 HB2 ASP 35 2HB ASP 35 4.140 5.186 -3.450 296 HB3 ASP 35 1HB ASP 35 2.868 6.276 -2.910 297 H LEU 36 H LEU 36 2.589 3.319 0.237 298 HA LEU 36 HA LEU 36 0.253 4.949 1.038 299 HB2 LEU 36 2HB LEU 36 0.583 2.266 1.297 300 HB3 LEU 36 1HB LEU 36 1.321 2.756 2.806 301 HG LEU 36 HG LEU 36 -1.028 2.145 3.147 302 HD11 LEU 36 1HD1 LEU 36 -0.712 5.137 3.433 303 HD12 LEU 36 2HD1 LEU 36 -0.136 3.919 4.574 304 HD13 LEU 36 3HD1 LEU 36 -1.862 4.109 4.290 305 HD21 LEU 36 1HD2 LEU 36 -1.860 2.635 0.891 306 HD22 LEU 36 2HD2 LEU 36 -1.748 4.363 1.215 307 HD23 LEU 36 3HD2 LEU 36 -2.873 3.359 2.132 308 H THR 37 H THR 37 3.637 4.578 1.414 309 HA THR 37 HA THR 37 4.392 5.517 3.847 310 HB THR 37 HB THR 37 5.569 6.051 1.093 311 HG1 THR 37 HG1 THR 37 5.591 3.900 1.807 312 HG21 THR 37 1HG2 THR 37 6.903 6.664 3.760 313 HG22 THR 37 2HG2 THR 37 6.442 7.844 2.534 314 HG23 THR 37 3HG2 THR 37 7.708 6.669 2.188 315 H LYS 38 H LYS 38 3.403 7.477 1.080 316 HA LYS 38 HA LYS 38 3.638 9.998 2.532 317 HB2 LYS 38 2HB LYS 38 4.098 9.307 -0.090 318 HB3 LYS 38 1HB LYS 38 2.472 9.904 -0.238 319 HG2 LYS 38 2HG LYS 38 4.813 11.497 0.823 320 HG3 LYS 38 1HG LYS 38 4.230 11.542 -0.832 321 HD2 LYS 38 2HD LYS 38 3.163 13.423 -0.039 322 HD3 LYS 38 1HD LYS 38 1.928 12.237 0.371 323 HE2 LYS 38 2HE LYS 38 2.843 12.139 2.687 324 HE3 LYS 38 1HE LYS 38 4.028 13.368 2.249 325 HZ1 LYS 38 1HZ LYS 38 2.151 14.356 3.367 326 HZ2 LYS 38 2HZ LYS 38 1.075 13.711 2.233 327 HZ3 LYS 38 3HZ LYS 38 2.196 14.884 1.761 328 H PHE 39 H PHE 39 1.130 7.756 1.383 329 HA PHE 39 HA PHE 39 -1.114 9.475 1.521 330 HB2 PHE 39 2HB PHE 39 -1.067 7.335 0.241 331 HB3 PHE 39 1HB PHE 39 -1.078 6.433 1.751 332 HD1 PHE 39 HD1 PHE 39 -3.093 9.158 0.081 333 HD2 PHE 39 HD2 PHE 39 -3.183 5.566 2.400 334 HE1 PHE 39 HE1 PHE 39 -5.552 9.170 0.020 335 HE2 PHE 39 HE2 PHE 39 -5.642 5.590 2.333 336 HZ PHE 39 HZ PHE 39 -6.826 7.391 1.148 337 H LEU 40 H LEU 40 0.443 7.540 4.017 338 HA LEU 40 HA LEU 40 -1.722 7.778 5.904 339 HB2 LEU 40 2HB LEU 40 -0.220 6.700 7.505 340 HB3 LEU 40 1HB LEU 40 -0.278 5.840 5.984 341 HG LEU 40 HG LEU 40 1.984 7.151 5.468 342 HD11 LEU 40 1HD1 LEU 40 3.384 7.571 7.421 343 HD12 LEU 40 2HD1 LEU 40 2.043 7.185 8.501 344 HD13 LEU 40 3HD1 LEU 40 1.956 8.601 7.452 345 HD21 LEU 40 1HD2 LEU 40 3.292 5.292 6.364 346 HD22 LEU 40 2HD2 LEU 40 1.800 4.707 5.633 347 HD23 LEU 40 3HD2 LEU 40 1.939 4.803 7.390 348 H GLU 41 H GLU 41 0.886 9.815 4.937 349 HA GLU 41 HA GLU 41 1.056 11.411 7.311 350 HB2 GLU 41 2HB GLU 41 1.810 12.098 4.438 351 HB3 GLU 41 1HB GLU 41 2.205 13.087 5.841 352 HG2 GLU 41 2HG GLU 41 3.191 10.260 5.346 353 HG3 GLU 41 1HG GLU 41 4.111 11.735 5.066 354 H GLU 42 H GLU 42 -0.954 11.431 4.423 355 HA GLU 42 HA GLU 42 -2.311 13.856 4.709 356 HB2 GLU 42 2HB GLU 42 -2.845 11.230 3.356 357 HB3 GLU 42 1HB GLU 42 -4.225 12.287 3.576 358 HG2 GLU 42 2HG GLU 42 -3.056 12.472 1.347 359 HG3 GLU 42 1HG GLU 42 -3.300 13.987 2.210 360 H PHE 43 H PHE 43 -2.730 10.806 6.424 361 HA PHE 43 HA PHE 43 -4.926 11.902 8.048 362 HB2 PHE 43 2HB PHE 43 -3.487 9.243 8.436 363 HB3 PHE 43 1HB PHE 43 -5.065 9.708 9.062 364 HD1 PHE 43 HD1 PHE 43 -3.439 7.844 6.571 365 HD2 PHE 43 HD2 PHE 43 -6.841 10.382 7.148 366 HE1 PHE 43 HE1 PHE 43 -4.487 6.893 4.574 367 HE2 PHE 43 HE2 PHE 43 -7.883 9.421 5.133 368 HZ PHE 43 HZ PHE 43 -6.697 7.685 3.854 369 HA PRO 44 HA PRO 44 -1.803 13.710 10.846 370 HB2 PRO 44 2HB PRO 44 -4.059 13.701 12.840 371 HB3 PRO 44 1HB PRO 44 -3.055 15.058 12.288 372 HG2 PRO 44 2HG PRO 44 -5.564 14.850 11.466 373 HG3 PRO 44 1HG PRO 44 -4.302 15.366 10.326 374 HD2 PRO 44 2HD PRO 44 -5.596 12.652 10.611 375 HD3 PRO 44 1HD PRO 44 -5.208 13.564 9.134 376 H GLY 45 H GLY 45 -0.536 11.854 11.054 377 HA2 GLY 45 2HA GLY 45 0.573 10.168 12.161 378 HA3 GLY 45 1HA GLY 45 -0.357 10.575 13.596 379 H GLY 46 H GLY 46 -1.535 9.523 10.428 380 HA2 GLY 46 2HA GLY 46 -3.290 7.577 11.769 381 HA3 GLY 46 1HA GLY 46 -3.525 8.290 10.185 382 H GLU 47 H GLU 47 -0.451 6.946 11.185 383 HA GLU 47 HA GLU 47 -0.433 4.924 9.166 384 HB2 GLU 47 2HB GLU 47 1.650 5.913 10.013 385 HB3 GLU 47 1HB GLU 47 1.325 5.297 11.625 386 HG2 GLU 47 2HG GLU 47 1.305 2.946 10.191 387 HG3 GLU 47 1HG GLU 47 2.416 3.900 9.214 388 H GLU 48 H GLU 48 -1.267 5.023 12.599 389 HA GLU 48 HA GLU 48 -1.175 2.243 13.141 390 HB2 GLU 48 2HB GLU 48 -2.314 2.816 15.264 391 HB3 GLU 48 1HB GLU 48 -0.955 3.879 14.919 392 HG2 GLU 48 2HG GLU 48 -2.440 5.682 14.257 393 HG3 GLU 48 1HG GLU 48 -3.843 4.620 14.369 394 H VAL 49 H VAL 49 -3.520 3.860 11.300 395 HA VAL 49 HA VAL 49 -5.703 2.020 12.040 396 HB VAL 49 HB VAL 49 -6.217 4.455 11.780 397 HG11 VAL 49 1HG1 VAL 49 -4.701 5.022 9.942 398 HG12 VAL 49 2HG1 VAL 49 -6.356 5.501 9.566 399 HG13 VAL 49 3HG1 VAL 49 -5.667 4.056 8.825 400 HG21 VAL 49 1HG2 VAL 49 -7.713 2.695 9.799 401 HG22 VAL 49 2HG2 VAL 49 -8.306 4.207 10.489 402 HG23 VAL 49 3HG2 VAL 49 -8.035 2.811 11.531 403 H LEU 50 H LEU 50 -3.263 2.403 9.590 404 HA LEU 50 HA LEU 50 -4.653 0.555 7.711 405 HB2 LEU 50 2HB LEU 50 -3.223 1.824 5.939 406 HB3 LEU 50 1HB LEU 50 -4.652 2.595 6.590 407 HG LEU 50 HG LEU 50 -3.025 3.785 8.253 408 HD11 LEU 50 1HD1 LEU 50 -1.015 2.524 7.882 409 HD12 LEU 50 2HD1 LEU 50 -0.744 4.192 7.385 410 HD13 LEU 50 3HD1 LEU 50 -1.005 2.939 6.168 411 HD21 LEU 50 1HD2 LEU 50 -2.642 5.628 6.669 412 HD22 LEU 50 2HD2 LEU 50 -4.271 4.972 6.538 413 HD23 LEU 50 3HD2 LEU 50 -3.060 4.561 5.325 414 H ARG 51 H ARG 51 -1.881 1.006 9.615 415 HA ARG 51 HA ARG 51 0.264 0.223 8.046 416 HB2 ARG 51 2HB ARG 51 0.554 1.307 10.226 417 HB3 ARG 51 1HB ARG 51 -0.185 -0.065 11.047 418 HG2 ARG 51 2HG ARG 51 1.780 -1.451 10.071 419 HG3 ARG 51 1HG ARG 51 2.532 0.106 9.739 420 HD2 ARG 51 2HD ARG 51 2.906 0.559 11.984 421 HD3 ARG 51 1HD ARG 51 1.533 -0.413 12.528 422 HE ARG 51 HE ARG 51 4.215 -1.367 11.840 423 HH11 ARG 51 1HH1 ARG 51 0.944 -2.177 12.872 424 HH12 ARG 51 2HH1 ARG 51 1.376 -3.783 13.378 425 HH21 ARG 51 1HH2 ARG 51 4.719 -3.521 12.380 426 HH22 ARG 51 2HH2 ARG 51 3.507 -4.535 13.099 427 H GLU 52 H GLU 52 -1.720 -1.767 10.225 428 HA GLU 52 HA GLU 52 -0.094 -4.103 9.954 429 HB2 GLU 52 2HB GLU 52 -1.500 -3.379 11.992 430 HB3 GLU 52 1HB GLU 52 -2.908 -3.977 11.122 431 HG2 GLU 52 2HG GLU 52 -2.185 -5.670 12.675 432 HG3 GLU 52 1HG GLU 52 -1.845 -6.240 11.046 433 H GLN 53 H GLN 53 -2.936 -2.891 8.328 434 HA GLN 53 HA GLN 53 -3.583 -5.395 6.979 435 HB2 GLN 53 2HB GLN 53 -5.296 -3.680 7.757 436 HB3 GLN 53 1HB GLN 53 -4.719 -2.606 6.493 437 HG2 GLN 53 2HG GLN 53 -6.759 -3.691 5.772 438 HG3 GLN 53 1HG GLN 53 -5.418 -4.276 4.786 439 HE21 GLN 53 1HE2 GLN 53 -6.637 -6.125 4.234 440 HE22 GLN 53 2HE2 GLN 53 -6.865 -7.434 5.331 441 H ALA 54 H ALA 54 -1.674 -2.545 6.423 442 HA ALA 54 HA ALA 54 -1.316 -2.710 3.604 443 HB1 ALA 54 1HB ALA 54 0.665 -1.286 3.974 444 HB2 ALA 54 2HB ALA 54 0.550 -1.570 5.714 445 HB3 ALA 54 3HB ALA 54 -0.729 -0.688 4.880 446 H GLY 55 H GLY 55 0.653 -3.506 2.477 447 HA2 GLY 55 2HA GLY 55 2.006 -5.302 1.921 448 HA3 GLY 55 1HA GLY 55 2.180 -5.650 3.636 449 H GLY 56 H GLY 56 -0.824 -5.453 1.788 450 HA2 GLY 56 2HA GLY 56 -1.203 -8.245 1.359 451 HA3 GLY 56 1HA GLY 56 -2.047 -7.721 2.812 452 H ASP 57 H ASP 57 -3.133 -5.329 2.268 453 HA ASP 57 HA ASP 57 -4.922 -5.868 -0.050 454 HB2 ASP 57 2HB ASP 57 -5.838 -6.706 2.178 455 HB3 ASP 57 1HB ASP 57 -5.884 -5.038 2.729 456 H ALA 58 H ALA 58 -5.941 -4.105 -0.983 457 HA ALA 58 HA ALA 58 -5.665 -1.402 0.104 458 HB1 ALA 58 1HB ALA 58 -4.819 -2.005 -2.743 459 HB2 ALA 58 2HB ALA 58 -3.710 -1.697 -1.409 460 HB3 ALA 58 3HB ALA 58 -4.814 -0.432 -1.940 461 H THR 59 H THR 59 -7.247 -3.727 -1.983 462 HA THR 59 HA THR 59 -9.029 -2.089 -3.397 463 HB THR 59 HB THR 59 -10.550 -4.271 -3.298 464 HG1 THR 59 HG1 THR 59 -9.783 -5.713 -1.978 465 HG21 THR 59 1HG2 THR 59 -9.225 -3.628 -5.295 466 HG22 THR 59 2HG2 THR 59 -9.193 -5.372 -5.031 467 HG23 THR 59 3HG2 THR 59 -7.796 -4.388 -4.591 468 H GLU 60 H GLU 60 -9.403 -3.671 -0.234 469 HA GLU 60 HA GLU 60 -11.850 -2.187 0.354 470 HB2 GLU 60 2HB GLU 60 -10.245 -4.055 2.162 471 HB3 GLU 60 1HB GLU 60 -11.894 -3.498 2.424 472 HG2 GLU 60 2HG GLU 60 -10.948 -5.355 0.224 473 HG3 GLU 60 1HG GLU 60 -11.860 -5.819 1.657 474 H ASN 61 H ASN 61 -8.460 -2.404 1.406 475 HA ASN 61 HA ASN 61 -8.697 -0.878 3.750 476 HB2 ASN 61 2HB ASN 61 -6.928 -2.529 3.507 477 HB3 ASN 61 1HB ASN 61 -6.222 -1.653 2.154 478 HD21 ASN 61 1HD2 ASN 61 -4.852 0.095 2.593 479 HD22 ASN 61 2HD2 ASN 61 -4.360 0.536 4.188 480 H PHE 62 H PHE 62 -7.248 0.089 0.593 481 HA PHE 62 HA PHE 62 -6.239 2.576 1.407 482 HB2 PHE 62 2HB PHE 62 -5.688 1.274 -0.731 483 HB3 PHE 62 1HB PHE 62 -7.165 1.915 -1.425 484 HD1 PHE 62 HD1 PHE 62 -3.715 2.669 -0.442 485 HD2 PHE 62 HD2 PHE 62 -7.285 4.358 -2.056 486 HE1 PHE 62 HE1 PHE 62 -2.433 4.614 -1.219 487 HE2 PHE 62 HE2 PHE 62 -5.994 6.307 -2.819 488 HZ PHE 62 HZ PHE 62 -3.574 6.437 -2.412 489 H GLU 63 H GLU 63 -9.487 1.680 0.404 490 HA GLU 63 HA GLU 63 -10.506 4.421 0.331 491 HB2 GLU 63 2HB GLU 63 -11.453 2.810 -1.267 492 HB3 GLU 63 1HB GLU 63 -11.908 1.728 0.045 493 HG2 GLU 63 2HG GLU 63 -13.438 3.570 0.895 494 HG3 GLU 63 1HG GLU 63 -13.097 4.447 -0.593 495 H ASP 64 H ASP 64 -10.642 1.561 2.408 496 HA ASP 64 HA ASP 64 -12.730 2.270 4.149 497 HB2 ASP 64 2HB ASP 64 -11.760 -0.034 3.874 498 HB3 ASP 64 1HB ASP 64 -10.319 0.480 4.740 499 H VAL 65 H VAL 65 -9.246 2.299 4.735 500 HA VAL 65 HA VAL 65 -9.343 3.981 7.067 501 HB VAL 65 HB VAL 65 -6.923 3.867 7.076 502 HG11 VAL 65 1HG1 VAL 65 -6.547 1.419 7.073 503 HG12 VAL 65 2HG1 VAL 65 -8.074 1.185 6.218 504 HG13 VAL 65 3HG1 VAL 65 -8.069 1.855 7.852 505 HG21 VAL 65 1HG2 VAL 65 -5.626 2.789 5.206 506 HG22 VAL 65 2HG2 VAL 65 -6.385 4.313 4.753 507 HG23 VAL 65 3HG2 VAL 65 -7.098 2.789 4.234 508 H GLY 66 H GLY 66 -9.076 4.406 3.645 509 HA2 GLY 66 2HA GLY 66 -8.104 7.041 3.441 510 HA3 GLY 66 1HA GLY 66 -9.118 6.207 2.276 511 H PHE 67 H PHE 67 -9.660 8.699 2.347 512 HA PHE 67 HA PHE 67 -11.283 9.698 4.452 513 HB2 PHE 67 2HB PHE 67 -10.999 10.698 1.578 514 HB3 PHE 67 1HB PHE 67 -11.645 11.626 2.933 515 HD1 PHE 67 HD1 PHE 67 -10.130 12.492 4.699 516 HD2 PHE 67 HD2 PHE 67 -8.569 10.264 1.398 517 HE1 PHE 67 HE1 PHE 67 -7.852 13.212 5.279 518 HE2 PHE 67 HE2 PHE 67 -6.294 10.990 1.987 519 HZ PHE 67 HZ PHE 67 -5.934 12.458 3.931 520 H SER 68 H SER 68 -12.496 9.504 1.083 521 HA SER 68 HA SER 68 -14.304 7.335 1.583 522 HB2 SER 68 2HB SER 68 -15.494 10.125 1.218 523 HB3 SER 68 1HB SER 68 -16.413 8.643 0.958 524 HG SER 68 HG SER 68 -15.412 8.299 3.295 525 H THR 69 H THR 69 -14.662 10.123 -0.603 526 HA THR 69 HA THR 69 -14.529 8.406 -2.957 527 HB THR 69 HB THR 69 -15.106 11.403 -2.848 528 HG1 THR 69 HG1 THR 69 -16.802 9.203 -2.276 529 HG21 THR 69 1HG2 THR 69 -16.450 10.966 -4.866 530 HG22 THR 69 2HG2 THR 69 -16.010 9.258 -4.804 531 HG23 THR 69 3HG2 THR 69 -14.772 10.476 -5.116 532 H ASP 70 H ASP 70 -12.750 10.923 -1.327 533 HA ASP 70 HA ASP 70 -11.024 11.922 -3.231 534 HB2 ASP 70 2HB ASP 70 -11.267 12.885 -0.980 535 HB3 ASP 70 1HB ASP 70 -10.512 11.471 -0.254 536 H ALA 71 H ALA 71 -10.367 9.266 -0.932 537 HA ALA 71 HA ALA 71 -7.797 8.575 -1.682 538 HB1 ALA 71 1HB ALA 71 -8.236 6.421 -0.577 539 HB2 ALA 71 2HB ALA 71 -9.976 6.729 -0.643 540 HB3 ALA 71 3HB ALA 71 -8.929 7.752 0.346 541 H ARG 72 H ARG 72 -10.847 7.562 -3.127 542 HA ARG 72 HA ARG 72 -9.942 5.381 -4.691 543 HB2 ARG 72 2HB ARG 72 -12.333 7.222 -5.091 544 HB3 ARG 72 1HB ARG 72 -12.113 5.668 -5.893 545 HG2 ARG 72 2HG ARG 72 -12.361 4.457 -3.841 546 HG3 ARG 72 1HG ARG 72 -12.230 5.929 -2.871 547 HD2 ARG 72 2HD ARG 72 -14.554 5.125 -3.006 548 HD3 ARG 72 1HD ARG 72 -14.374 6.722 -3.729 549 HE ARG 72 HE ARG 72 -14.329 5.506 -5.933 550 HH11 ARG 72 1HH1 ARG 72 -16.055 4.134 -3.177 551 HH12 ARG 72 2HH1 ARG 72 -17.174 3.260 -4.176 552 HH21 ARG 72 1HH2 ARG 72 -15.814 4.386 -7.212 553 HH22 ARG 72 2HH2 ARG 72 -17.036 3.406 -6.463 554 H GLU 73 H GLU 73 -10.467 8.821 -5.521 555 HA GLU 73 HA GLU 73 -9.283 8.467 -8.188 556 HB2 GLU 73 2HB GLU 73 -9.924 10.827 -8.571 557 HB3 GLU 73 1HB GLU 73 -11.294 9.845 -8.067 558 HG2 GLU 73 2HG GLU 73 -11.212 10.787 -5.824 559 HG3 GLU 73 1HG GLU 73 -9.734 11.668 -6.209 560 H LEU 74 H LEU 74 -8.155 9.160 -5.093 561 HA LEU 74 HA LEU 74 -5.807 10.685 -6.011 562 HB2 LEU 74 2HB LEU 74 -7.000 11.210 -3.833 563 HB3 LEU 74 1HB LEU 74 -6.491 9.646 -3.221 564 HG LEU 74 HG LEU 74 -4.084 10.404 -3.518 565 HD11 LEU 74 1HD1 LEU 74 -4.379 12.161 -5.164 566 HD12 LEU 74 2HD1 LEU 74 -3.590 12.788 -3.720 567 HD13 LEU 74 3HD1 LEU 74 -5.299 13.130 -4.009 568 HD21 LEU 74 1HD2 LEU 74 -4.033 11.753 -1.481 569 HD22 LEU 74 2HD2 LEU 74 -5.143 10.394 -1.331 570 HD23 LEU 74 3HD2 LEU 74 -5.776 12.024 -1.597 571 H SER 75 H SER 75 -6.771 7.479 -5.928 572 HA SER 75 HA SER 75 -4.662 6.045 -4.784 573 HB2 SER 75 2HB SER 75 -6.845 5.037 -5.368 574 HB3 SER 75 1HB SER 75 -6.470 5.198 -7.084 575 HG SER 75 HG SER 75 -4.991 3.656 -5.206 576 H LYS 76 H LYS 76 -5.142 6.785 -8.271 577 HA LYS 76 HA LYS 76 -2.652 5.659 -9.083 578 HB2 LYS 76 2HB LYS 76 -3.144 6.408 -11.328 579 HB3 LYS 76 1HB LYS 76 -4.606 5.759 -10.612 580 HG2 LYS 76 2HG LYS 76 -4.060 8.737 -10.716 581 HG3 LYS 76 1HG LYS 76 -4.816 7.870 -12.052 582 HD2 LYS 76 2HD LYS 76 -6.620 7.121 -10.466 583 HD3 LYS 76 1HD LYS 76 -5.899 8.147 -9.222 584 HE2 LYS 76 2HE LYS 76 -6.961 9.126 -11.898 585 HE3 LYS 76 1HE LYS 76 -7.819 9.233 -10.361 586 HZ1 LYS 76 1HZ LYS 76 -6.119 10.684 -9.514 587 HZ2 LYS 76 2HZ LYS 76 -6.707 11.305 -10.971 588 HZ3 LYS 76 3HZ LYS 76 -5.208 10.531 -10.932 589 H LYS 77 H LYS 77 -3.200 8.604 -7.558 590 HA LYS 77 HA LYS 77 -1.046 10.165 -8.627 591 HB2 LYS 77 2HB LYS 77 -2.943 11.061 -7.265 592 HB3 LYS 77 1HB LYS 77 -2.337 10.221 -5.855 593 HG2 LYS 77 2HG LYS 77 -0.561 12.224 -7.234 594 HG3 LYS 77 1HG LYS 77 -1.896 12.806 -6.240 595 HD2 LYS 77 2HD LYS 77 -0.995 11.605 -4.286 596 HD3 LYS 77 1HD LYS 77 0.323 10.957 -5.268 597 HE2 LYS 77 2HE LYS 77 1.068 12.877 -3.917 598 HE3 LYS 77 1HE LYS 77 1.170 13.243 -5.641 599 HZ1 LYS 77 1HZ LYS 77 -0.800 14.552 -5.507 600 HZ2 LYS 77 2HZ LYS 77 0.212 15.048 -4.247 601 HZ3 LYS 77 3HZ LYS 77 -1.111 14.053 -3.919 602 H TYR 78 H TYR 78 -1.341 7.606 -6.278 603 HA TYR 78 HA TYR 78 1.436 7.808 -5.344 604 HB2 TYR 78 2HB TYR 78 -0.922 6.090 -4.450 605 HB3 TYR 78 1HB TYR 78 0.685 6.005 -3.734 606 HD1 TYR 78 HD1 TYR 78 1.586 7.950 -2.433 607 HD2 TYR 78 HD2 TYR 78 -2.432 7.912 -3.875 608 HE1 TYR 78 HE1 TYR 78 0.999 9.769 -0.897 609 HE2 TYR 78 HE2 TYR 78 -2.987 9.714 -2.335 610 HH TYR 78 HH TYR 78 -0.569 11.338 -0.386 611 H ILE 79 H ILE 79 0.806 6.885 -8.140 612 HA ILE 79 HA ILE 79 1.365 4.067 -8.165 613 HB ILE 79 HB ILE 79 0.184 4.998 -10.065 614 HG12 ILE 79 2HG1 ILE 79 1.501 4.024 -11.940 615 HG13 ILE 79 1HG1 ILE 79 2.951 4.039 -10.940 616 HG21 ILE 79 1HG2 ILE 79 1.176 6.530 -11.702 617 HG22 ILE 79 2HG2 ILE 79 2.625 6.672 -10.704 618 HG23 ILE 79 3HG2 ILE 79 1.077 7.269 -10.101 619 HD11 ILE 79 1HD1 ILE 79 1.990 2.390 -9.451 620 HD12 ILE 79 2HD1 ILE 79 1.895 1.819 -11.119 621 HD13 ILE 79 3HD1 ILE 79 0.454 2.453 -10.326 622 H ILE 80 H ILE 80 3.129 3.795 -6.827 623 HA ILE 80 HA ILE 80 5.705 5.029 -7.472 624 HB ILE 80 HB ILE 80 4.944 4.767 -5.084 625 HG12 ILE 80 2HG1 ILE 80 7.567 3.318 -5.679 626 HG13 ILE 80 1HG1 ILE 80 7.363 5.063 -5.715 627 HG21 ILE 80 1HG2 ILE 80 3.871 2.564 -5.213 628 HG22 ILE 80 2HG2 ILE 80 5.104 2.588 -3.950 629 HG23 ILE 80 3HG2 ILE 80 5.440 1.800 -5.493 630 HD11 ILE 80 1HD1 ILE 80 6.836 5.057 -3.328 631 HD12 ILE 80 2HD1 ILE 80 8.417 4.356 -3.662 632 HD13 ILE 80 3HD1 ILE 80 7.054 3.304 -3.282 633 H GLY 81 H GLY 81 3.952 2.101 -8.058 634 HA2 GLY 81 2HA GLY 81 5.425 1.307 -10.210 635 HA3 GLY 81 1HA GLY 81 6.199 0.489 -8.858 636 H GLU 82 H GLU 82 5.670 -1.491 -9.621 637 HA GLU 82 HA GLU 82 2.869 -2.323 -9.212 638 HB2 GLU 82 2HB GLU 82 3.183 -3.958 -11.091 639 HB3 GLU 82 1HB GLU 82 3.204 -2.277 -11.614 640 HG2 GLU 82 2HG GLU 82 5.676 -2.333 -11.714 641 HG3 GLU 82 1HG GLU 82 5.657 -4.023 -11.203 642 H LEU 83 H LEU 83 2.668 -4.175 -8.042 643 HA LEU 83 HA LEU 83 4.870 -5.065 -6.476 644 HB2 LEU 83 2HB LEU 83 2.330 -4.915 -5.858 645 HB3 LEU 83 1HB LEU 83 2.162 -6.456 -6.673 646 HG LEU 83 HG LEU 83 2.310 -6.592 -4.165 647 HD11 LEU 83 1HD1 LEU 83 2.900 -8.553 -5.506 648 HD12 LEU 83 2HD1 LEU 83 3.776 -8.481 -3.981 649 HD13 LEU 83 3HD1 LEU 83 4.592 -8.053 -5.489 650 HD21 LEU 83 1HD2 LEU 83 5.176 -5.701 -4.526 651 HD22 LEU 83 2HD2 LEU 83 4.424 -6.235 -3.021 652 HD23 LEU 83 3HD2 LEU 83 3.873 -4.757 -3.801 653 H HIS 84 H HIS 84 5.881 -7.022 -6.530 654 HA HIS 84 HA HIS 84 6.632 -8.158 -8.941 655 HB2 HIS 84 2HB HIS 84 7.905 -8.114 -6.736 656 HB3 HIS 84 1HB HIS 84 6.855 -9.402 -6.165 657 HD1 HIS 84 HD1 HIS 84 7.967 -11.619 -6.341 658 HD2 HIS 84 HD2 HIS 84 9.249 -8.981 -9.284 659 HE1 HIS 84 HE1 HIS 84 9.706 -12.869 -7.649 660 HE2 HIS 84 HE2 HIS 84 10.621 -11.160 -9.254 661 HA PRO 85 HA PRO 85 2.755 -10.382 -9.757 662 HB2 PRO 85 2HB PRO 85 3.931 -12.147 -11.689 663 HB3 PRO 85 1HB PRO 85 3.108 -10.612 -11.999 664 HG2 PRO 85 2HG PRO 85 6.019 -11.176 -11.792 665 HG3 PRO 85 1HG PRO 85 5.169 -9.978 -12.792 666 HD2 PRO 85 2HD PRO 85 6.540 -9.242 -10.601 667 HD3 PRO 85 1HD PRO 85 5.025 -8.429 -11.043 668 H ASP 86 H ASP 86 5.717 -12.183 -8.951 669 HA ASP 86 HA ASP 86 4.362 -14.588 -8.157 670 HB2 ASP 86 2HB ASP 86 6.725 -14.635 -8.800 671 HB3 ASP 86 1HB ASP 86 7.149 -13.562 -7.474 672 H ASP 87 H ASP 87 5.599 -11.721 -6.407 673 HA ASP 87 HA ASP 87 5.431 -12.818 -3.787 674 HB2 ASP 87 2HB ASP 87 6.047 -10.131 -4.941 675 HB3 ASP 87 1HB ASP 87 5.392 -10.077 -3.316 676 H ARG 88 H ARG 88 3.100 -11.008 -5.717 677 HA ARG 88 HA ARG 88 1.263 -10.392 -3.631 678 HB2 ARG 88 2HB ARG 88 -0.337 -9.914 -5.483 679 HB3 ARG 88 1HB ARG 88 1.230 -9.162 -5.730 680 HG2 ARG 88 2HG ARG 88 0.922 -9.948 -7.857 681 HG3 ARG 88 1HG ARG 88 1.664 -11.389 -7.169 682 HD2 ARG 88 2HD ARG 88 -0.790 -12.150 -6.676 683 HD3 ARG 88 1HD ARG 88 -1.251 -10.887 -7.814 684 HE ARG 88 HE ARG 88 0.567 -12.290 -9.236 685 HH11 ARG 88 1HH1 ARG 88 -2.258 -13.332 -7.386 686 HH12 ARG 88 2HH1 ARG 88 -2.549 -14.716 -8.395 687 HH21 ARG 88 1HH2 ARG 88 0.183 -14.151 -10.510 688 HH22 ARG 88 2HH2 ARG 88 -1.175 -15.176 -10.155 689 H SER 89 H SER 89 1.743 -13.206 -5.653 690 HA SER 89 HA SER 89 -0.664 -14.604 -4.790 691 HB2 SER 89 2HB SER 89 0.246 -14.816 -7.117 692 HB3 SER 89 1HB SER 89 1.688 -15.590 -6.470 693 HG SER 89 HG SER 89 0.520 -17.354 -5.942 694 H LYS 90 H LYS 90 2.755 -14.471 -4.053 695 HA LYS 90 HA LYS 90 3.073 -16.870 -2.577 696 HB2 LYS 90 2HB LYS 90 4.981 -15.559 -3.496 697 HB3 LYS 90 1HB LYS 90 4.610 -14.235 -2.397 698 HG2 LYS 90 2HG LYS 90 5.128 -15.746 -0.462 699 HG3 LYS 90 1HG LYS 90 5.582 -17.009 -1.611 700 HD2 LYS 90 2HD LYS 90 7.605 -15.889 -0.828 701 HD3 LYS 90 1HD LYS 90 7.356 -15.495 -2.529 702 HE2 LYS 90 2HE LYS 90 6.364 -13.309 -1.846 703 HE3 LYS 90 1HE LYS 90 6.695 -13.712 -0.159 704 HZ1 LYS 90 1HZ LYS 90 8.399 -12.274 -1.114 705 HZ2 LYS 90 2HZ LYS 90 8.751 -13.439 -2.288 706 HZ3 LYS 90 3HZ LYS 90 9.046 -13.766 -0.655 707 H ILE 91 H ILE 91 2.671 -13.490 -1.532 708 HA ILE 91 HA ILE 91 1.654 -14.355 1.105 709 HB ILE 91 HB ILE 91 2.508 -11.515 0.355 710 HG12 ILE 91 2HG1 ILE 91 4.275 -13.699 1.549 711 HG13 ILE 91 1HG1 ILE 91 4.446 -12.987 -0.050 712 HG21 ILE 91 1HG2 ILE 91 1.141 -11.728 2.400 713 HG22 ILE 91 2HG2 ILE 91 2.784 -11.220 2.788 714 HG23 ILE 91 3HG2 ILE 91 2.293 -12.894 3.060 715 HD11 ILE 91 1HD1 ILE 91 4.851 -11.560 2.580 716 HD12 ILE 91 2HD1 ILE 91 4.998 -10.828 0.980 717 HD13 ILE 91 3HD1 ILE 91 6.105 -12.109 1.468 718 H ALA 92 H ALA 92 -0.160 -14.873 -0.661 719 HA ALA 92 HA ALA 92 -1.996 -12.849 -1.428 720 HB1 ALA 92 1HB ALA 92 -1.969 -15.102 -2.436 721 HB2 ALA 92 2HB ALA 92 -3.569 -14.707 -1.806 722 HB3 ALA 92 3HB ALA 92 -2.513 -15.802 -0.908 723 H LYS 93 H LYS 93 -1.494 -14.595 1.560 724 HA LYS 93 HA LYS 93 -3.121 -12.683 3.017 725 HB2 LYS 93 2HB LYS 93 -4.317 -14.408 4.371 726 HB3 LYS 93 1HB LYS 93 -4.826 -14.386 2.697 727 HG2 LYS 93 2HG LYS 93 -2.896 -16.445 3.823 728 HG3 LYS 93 1HG LYS 93 -4.644 -16.674 3.776 729 HD2 LYS 93 2HD LYS 93 -4.610 -16.502 1.312 730 HD3 LYS 93 1HD LYS 93 -2.866 -16.237 1.345 731 HE2 LYS 93 2HE LYS 93 -3.378 -18.555 0.750 732 HE3 LYS 93 1HE LYS 93 -2.553 -18.497 2.308 733 HZ1 LYS 93 1HZ LYS 93 -4.445 -20.037 2.278 734 HZ2 LYS 93 2HZ LYS 93 -5.494 -18.753 1.958 735 HZ3 LYS 93 3HZ LYS 93 -4.647 -18.804 3.420 736 HA PRO 94 HA PRO 94 0.896 -13.321 5.256 737 HB2 PRO 94 2HB PRO 94 0.669 -10.898 6.655 738 HB3 PRO 94 1HB PRO 94 1.432 -11.064 5.064 739 HG2 PRO 94 2HG PRO 94 -1.334 -10.130 5.732 740 HG3 PRO 94 1HG PRO 94 -0.193 -9.503 4.520 741 HD2 PRO 94 2HD PRO 94 -2.265 -11.090 3.816 742 HD3 PRO 94 1HD PRO 94 -0.702 -11.177 2.972 743 H SER 95 H SER 95 -2.016 -11.865 6.762 744 HA SER 95 HA SER 95 -1.885 -13.595 9.098 745 HB2 SER 95 2HB SER 95 -3.918 -11.510 8.174 746 HB3 SER 95 1HB SER 95 -4.013 -12.379 9.706 747 HG SER 95 HG SER 95 -2.325 -11.290 10.463 748 H GLU 96 H GLU 96 -2.155 -15.677 8.341 749 HA GLU 96 HA GLU 96 -4.134 -16.551 6.489 750 HB2 GLU 96 2HB GLU 96 -2.088 -17.860 6.978 751 HB3 GLU 96 1HB GLU 96 -2.624 -18.107 8.634 752 HG2 GLU 96 2HG GLU 96 -2.996 -20.138 7.389 753 HG3 GLU 96 1HG GLU 96 -4.561 -19.424 7.776 754 H THR 97 H THR 97 -3.896 -16.895 10.020 755 HA THR 97 HA THR 97 -6.813 -16.594 10.293 756 HB THR 97 HB THR 97 -6.356 -19.018 10.454 757 HG1 THR 97 HG1 THR 97 -7.500 -17.520 12.428 758 HG21 THR 97 1HG2 THR 97 -4.568 -18.344 12.818 759 HG22 THR 97 2HG2 THR 97 -4.020 -18.961 11.257 760 HG23 THR 97 3HG2 THR 97 -5.030 -19.964 12.302 761 H LEU 98 H LEU 98 -3.606 -15.876 11.392 762 HA LEU 98 HA LEU 98 -4.468 -14.624 13.895 763 HB2 LEU 98 2HB LEU 98 -1.716 -14.711 12.574 764 HB3 LEU 98 1HB LEU 98 -2.049 -14.074 14.176 765 HG LEU 98 HG LEU 98 -2.309 -16.988 13.326 766 HD11 LEU 98 1HD1 LEU 98 -0.381 -17.405 14.785 767 HD12 LEU 98 2HD1 LEU 98 -0.257 -15.677 15.137 768 HD13 LEU 98 3HD1 LEU 98 0.022 -16.267 13.499 769 HD21 LEU 98 1HD2 LEU 98 -2.759 -15.769 16.074 770 HD22 LEU 98 2HD2 LEU 98 -2.727 -17.495 15.701 771 HD23 LEU 98 3HD2 LEU 98 -3.990 -16.473 15.021 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 12.320 -9.188 -11.006 2 H2 ALA 1 2H ALA 1 13.626 -9.977 -10.285 3 H3 ALA 1 3H ALA 1 13.891 -8.840 -11.510 4 HA ALA 1 HA ALA 1 12.734 -8.266 -8.853 5 HB1 ALA 1 1HB ALA 1 15.106 -8.880 -8.715 6 HB2 ALA 1 2HB ALA 1 14.896 -7.162 -8.373 7 HB3 ALA 1 3HB ALA 1 15.507 -7.681 -9.946 8 H GLU 2 H GLU 2 13.678 -5.652 -8.726 9 HA GLU 2 HA GLU 2 11.802 -4.174 -10.275 10 HB2 GLU 2 2HB GLU 2 12.485 -3.412 -8.043 11 HB3 GLU 2 1HB GLU 2 14.153 -3.221 -8.580 12 HG2 GLU 2 2HG GLU 2 13.489 -1.410 -10.091 13 HG3 GLU 2 1HG GLU 2 11.800 -1.625 -9.641 14 H GLN 3 H GLN 3 12.009 -3.116 -12.203 15 HA GLN 3 HA GLN 3 14.278 -3.372 -13.911 16 HB2 GLN 3 2HB GLN 3 11.992 -1.352 -14.074 17 HB3 GLN 3 1HB GLN 3 13.115 -1.728 -15.374 18 HG2 GLN 3 2HG GLN 3 11.000 -3.560 -14.205 19 HG3 GLN 3 1HG GLN 3 10.997 -2.809 -15.798 20 HE21 GLN 3 1HE2 GLN 3 12.404 -3.626 -17.408 21 HE22 GLN 3 2HE2 GLN 3 13.114 -5.195 -17.277 22 H SER 4 H SER 4 16.174 -2.443 -13.413 23 HA SER 4 HA SER 4 16.461 -0.077 -11.810 24 HB2 SER 4 2HB SER 4 18.917 -0.412 -12.290 25 HB3 SER 4 1HB SER 4 18.122 -1.852 -11.660 26 HG SER 4 HG SER 4 19.457 -1.554 -13.958 27 H ASP 5 H ASP 5 16.649 -0.845 -15.235 28 HA ASP 5 HA ASP 5 17.681 1.713 -16.089 29 HB2 ASP 5 2HB ASP 5 16.326 -0.402 -17.835 30 HB3 ASP 5 1HB ASP 5 17.447 0.852 -18.350 31 H LYS 6 H LYS 6 14.552 0.030 -16.450 32 HA LYS 6 HA LYS 6 13.154 2.422 -17.347 33 HB2 LYS 6 2HB LYS 6 12.149 -0.408 -16.779 34 HB3 LYS 6 1HB LYS 6 11.163 0.885 -17.461 35 HG2 LYS 6 2HG LYS 6 12.604 0.984 -19.443 36 HG3 LYS 6 1HG LYS 6 13.657 -0.261 -18.764 37 HD2 LYS 6 2HD LYS 6 11.798 -1.895 -18.849 38 HD3 LYS 6 1HD LYS 6 10.720 -0.650 -19.487 39 HE2 LYS 6 2HE LYS 6 12.098 -0.476 -21.516 40 HE3 LYS 6 1HE LYS 6 13.224 -1.671 -20.866 41 HZ1 LYS 6 1HZ LYS 6 11.668 -2.643 -22.447 42 HZ2 LYS 6 2HZ LYS 6 10.362 -2.181 -21.483 43 HZ3 LYS 6 3HZ LYS 6 11.473 -3.316 -20.910 44 H ASP 7 H ASP 7 11.201 3.206 -16.265 45 HA ASP 7 HA ASP 7 11.576 3.582 -13.422 46 HB2 ASP 7 2HB ASP 7 9.361 4.570 -15.278 47 HB3 ASP 7 1HB ASP 7 9.553 5.064 -13.600 48 H VAL 8 H VAL 8 10.067 1.134 -15.107 49 HA VAL 8 HA VAL 8 7.719 0.673 -13.558 50 HB VAL 8 HB VAL 8 9.320 -1.400 -15.136 51 HG11 VAL 8 1HG1 VAL 8 7.667 -2.430 -13.636 52 HG12 VAL 8 2HG1 VAL 8 7.163 -2.620 -15.315 53 HG13 VAL 8 3HG1 VAL 8 6.390 -1.404 -14.296 54 HG21 VAL 8 1HG2 VAL 8 8.783 0.520 -16.575 55 HG22 VAL 8 2HG2 VAL 8 7.080 0.400 -16.132 56 HG23 VAL 8 3HG2 VAL 8 7.844 -0.897 -17.054 57 H LYS 9 H LYS 9 8.207 0.754 -11.376 58 HA LYS 9 HA LYS 9 10.479 -0.693 -10.277 59 HB2 LYS 9 2HB LYS 9 8.419 1.134 -8.977 60 HB3 LYS 9 1HB LYS 9 9.760 0.379 -8.118 61 HG2 LYS 9 2HG LYS 9 11.392 1.607 -9.460 62 HG3 LYS 9 1HG LYS 9 10.111 2.260 -10.479 63 HD2 LYS 9 2HD LYS 9 10.890 3.961 -8.918 64 HD3 LYS 9 1HD LYS 9 9.220 3.531 -8.553 65 HE2 LYS 9 2HE LYS 9 10.566 3.822 -6.513 66 HE3 LYS 9 1HE LYS 9 9.977 2.167 -6.655 67 HZ1 LYS 9 1HZ LYS 9 12.320 2.312 -5.961 68 HZ2 LYS 9 2HZ LYS 9 12.708 3.058 -7.431 69 HZ3 LYS 9 3HZ LYS 9 12.137 1.470 -7.418 70 H TYR 10 H TYR 10 10.112 -2.863 -10.217 71 HA TYR 10 HA TYR 10 7.701 -4.057 -9.169 72 HB2 TYR 10 2HB TYR 10 10.460 -5.223 -9.723 73 HB3 TYR 10 1HB TYR 10 9.144 -6.165 -9.050 74 HD1 TYR 10 HD1 TYR 10 8.105 -7.565 -10.540 75 HD2 TYR 10 HD2 TYR 10 9.649 -3.864 -12.013 76 HE1 TYR 10 HE1 TYR 10 7.427 -8.206 -12.805 77 HE2 TYR 10 HE2 TYR 10 8.961 -4.501 -14.292 78 HH TYR 10 HH TYR 10 6.893 -7.128 -14.939 79 H TYR 11 H TYR 11 7.403 -3.151 -7.094 80 HA TYR 11 HA TYR 11 9.294 -3.778 -4.984 81 HB2 TYR 11 2HB TYR 11 6.402 -2.845 -4.994 82 HB3 TYR 11 1HB TYR 11 7.138 -3.447 -3.510 83 HD1 TYR 11 HD1 TYR 11 7.817 -0.976 -6.267 84 HD2 TYR 11 HD2 TYR 11 8.252 -1.935 -2.128 85 HE1 TYR 11 HE1 TYR 11 8.913 1.181 -5.886 86 HE2 TYR 11 HE2 TYR 11 9.356 0.222 -1.736 87 HH TYR 11 HH TYR 11 10.677 1.872 -3.112 88 H THR 12 H THR 12 9.279 -5.553 -3.737 89 HA THR 12 HA THR 12 7.459 -7.766 -4.441 90 HB THR 12 HB THR 12 9.575 -8.708 -4.654 91 HG1 THR 12 HG1 THR 12 9.343 -10.221 -3.226 92 HG21 THR 12 1HG2 THR 12 10.943 -6.802 -3.914 93 HG22 THR 12 2HG2 THR 12 11.525 -8.308 -3.202 94 HG23 THR 12 3HG2 THR 12 10.579 -7.179 -2.230 95 H LEU 13 H LEU 13 6.084 -8.545 -2.925 96 HA LEU 13 HA LEU 13 5.276 -6.883 -0.799 97 HB2 LEU 13 2HB LEU 13 3.915 -8.603 -2.239 98 HB3 LEU 13 1HB LEU 13 4.435 -9.788 -1.051 99 HG LEU 13 HG LEU 13 3.232 -8.601 0.733 100 HD11 LEU 13 1HD1 LEU 13 1.882 -6.593 0.281 101 HD12 LEU 13 2HD1 LEU 13 2.533 -6.510 -1.359 102 HD13 LEU 13 3HD1 LEU 13 3.600 -6.287 0.032 103 HD21 LEU 13 1HD2 LEU 13 1.471 -8.855 -1.726 104 HD22 LEU 13 2HD2 LEU 13 0.931 -8.867 -0.043 105 HD23 LEU 13 3HD2 LEU 13 1.936 -10.179 -0.655 106 H GLU 14 H GLU 14 7.579 -9.391 -1.045 107 HA GLU 14 HA GLU 14 7.871 -10.269 1.608 108 HB2 GLU 14 2HB GLU 14 8.796 -11.305 -0.502 109 HB3 GLU 14 1HB GLU 14 10.018 -10.042 -0.551 110 HG2 GLU 14 2HG GLU 14 11.031 -10.853 1.482 111 HG3 GLU 14 1HG GLU 14 9.692 -11.970 1.768 112 H GLU 15 H GLU 15 9.201 -7.436 -0.111 113 HA GLU 15 HA GLU 15 10.848 -6.484 2.032 114 HB2 GLU 15 2HB GLU 15 9.666 -5.087 -0.394 115 HB3 GLU 15 1HB GLU 15 10.618 -4.213 0.801 116 HG2 GLU 15 2HG GLU 15 11.591 -6.555 -0.849 117 HG3 GLU 15 1HG GLU 15 11.949 -4.854 -1.155 118 H ILE 16 H ILE 16 7.534 -5.779 1.003 119 HA ILE 16 HA ILE 16 7.084 -3.738 2.998 120 HB ILE 16 HB ILE 16 4.849 -5.063 1.408 121 HG12 ILE 16 2HG1 ILE 16 6.683 -2.882 0.287 122 HG13 ILE 16 1HG1 ILE 16 6.730 -4.572 -0.206 123 HG21 ILE 16 1HG2 ILE 16 4.232 -3.385 3.100 124 HG22 ILE 16 2HG2 ILE 16 3.874 -2.792 1.479 125 HG23 ILE 16 3HG2 ILE 16 5.298 -2.201 2.336 126 HD11 ILE 16 1HD1 ILE 16 4.390 -2.700 -0.568 127 HD12 ILE 16 2HD1 ILE 16 4.445 -4.396 -1.055 128 HD13 ILE 16 3HD1 ILE 16 5.524 -3.225 -1.811 129 H GLN 17 H GLN 17 7.031 -7.096 3.002 130 HA GLN 17 HA GLN 17 4.971 -7.816 4.789 131 HB2 GLN 17 2HB GLN 17 6.311 -9.351 3.312 132 HB3 GLN 17 1HB GLN 17 7.702 -9.120 4.360 133 HG2 GLN 17 2HG GLN 17 6.464 -10.215 6.206 134 HG3 GLN 17 1HG GLN 17 5.081 -10.436 5.128 135 HE21 GLN 17 1HE2 GLN 17 5.138 -12.690 5.179 136 HE22 GLN 17 2HE2 GLN 17 6.403 -13.615 4.459 137 H LYS 18 H LYS 18 8.251 -6.627 5.247 138 HA LYS 18 HA LYS 18 8.041 -6.615 8.177 139 HB2 LYS 18 2HB LYS 18 10.165 -7.354 6.978 140 HB3 LYS 18 1HB LYS 18 10.354 -5.705 6.401 141 HG2 LYS 18 2HG LYS 18 10.568 -4.920 8.743 142 HG3 LYS 18 1HG LYS 18 10.392 -6.583 9.309 143 HD2 LYS 18 2HD LYS 18 12.474 -7.196 8.045 144 HD3 LYS 18 1HD LYS 18 12.651 -5.507 7.566 145 HE2 LYS 18 2HE LYS 18 12.857 -4.871 9.954 146 HE3 LYS 18 1HE LYS 18 12.714 -6.571 10.407 147 HZ1 LYS 18 1HZ LYS 18 15.020 -5.833 10.359 148 HZ2 LYS 18 2HZ LYS 18 14.884 -5.424 8.725 149 HZ3 LYS 18 3HZ LYS 18 14.752 -7.038 9.208 150 H HIS 19 H HIS 19 6.100 -5.173 7.550 151 HA HIS 19 HA HIS 19 6.693 -2.355 6.998 152 HB2 HIS 19 2HB HIS 19 4.150 -2.118 7.170 153 HB3 HIS 19 1HB HIS 19 4.729 -3.168 5.882 154 HD1 HIS 19 HD1 HIS 19 4.386 -5.743 6.219 155 HD2 HIS 19 HD2 HIS 19 2.476 -3.369 9.031 156 HE1 HIS 19 HE1 HIS 19 2.784 -7.269 7.415 157 HE2 HIS 19 HE2 HIS 19 1.454 -5.727 8.896 158 H LYS 20 H LYS 20 8.070 -2.577 9.000 159 HA LYS 20 HA LYS 20 6.888 -2.666 11.593 160 HB2 LYS 20 2HB LYS 20 9.593 -1.523 10.752 161 HB3 LYS 20 1HB LYS 20 9.094 -1.856 12.408 162 HG2 LYS 20 2HG LYS 20 8.896 -4.283 11.810 163 HG3 LYS 20 1HG LYS 20 9.528 -3.896 10.205 164 HD2 LYS 20 2HD LYS 20 11.327 -4.747 11.643 165 HD3 LYS 20 1HD LYS 20 11.620 -3.059 11.220 166 HE2 LYS 20 2HE LYS 20 12.144 -3.535 13.589 167 HE3 LYS 20 1HE LYS 20 10.847 -2.347 13.441 168 HZ1 LYS 20 1HZ LYS 20 9.245 -4.094 13.899 169 HZ2 LYS 20 2HZ LYS 20 10.384 -4.006 15.145 170 HZ3 LYS 20 3HZ LYS 20 10.479 -5.244 13.999 171 H ASP 21 H ASP 21 8.304 0.002 9.713 172 HA ASP 21 HA ASP 21 7.055 1.977 11.548 173 HB2 ASP 21 2HB ASP 21 9.652 1.817 11.181 174 HB3 ASP 21 1HB ASP 21 9.350 2.529 9.601 175 H SER 22 H SER 22 6.536 4.079 10.432 176 HA SER 22 HA SER 22 4.466 3.768 8.556 177 HB2 SER 22 2HB SER 22 5.876 6.403 9.120 178 HB3 SER 22 1HB SER 22 4.160 6.118 8.817 179 HG SER 22 HG SER 22 4.344 4.793 10.852 180 H LYS 23 H LYS 23 7.845 4.639 8.220 181 HA LYS 23 HA LYS 23 7.703 5.447 5.453 182 HB2 LYS 23 2HB LYS 23 10.235 5.522 5.633 183 HB3 LYS 23 1HB LYS 23 9.355 6.538 6.763 184 HG2 LYS 23 2HG LYS 23 10.983 5.659 8.148 185 HG3 LYS 23 1HG LYS 23 9.655 4.535 8.428 186 HD2 LYS 23 2HD LYS 23 11.720 3.284 8.208 187 HD3 LYS 23 1HD LYS 23 10.717 2.949 6.794 188 HE2 LYS 23 2HE LYS 23 12.057 4.462 5.430 189 HE3 LYS 23 1HE LYS 23 12.971 4.992 6.843 190 HZ1 LYS 23 1HZ LYS 23 13.990 2.886 7.027 191 HZ2 LYS 23 2HZ LYS 23 14.106 3.323 5.398 192 HZ3 LYS 23 3HZ LYS 23 12.956 2.182 5.889 193 H SER 24 H SER 24 7.817 2.473 7.011 194 HA SER 24 HA SER 24 8.744 1.016 4.606 195 HB2 SER 24 2HB SER 24 9.836 0.524 6.837 196 HB3 SER 24 1HB SER 24 8.275 -0.025 7.449 197 HG SER 24 HG SER 24 8.309 -1.622 5.766 198 H THR 25 H THR 25 6.083 2.376 4.937 199 HA THR 25 HA THR 25 4.206 0.090 5.100 200 HB THR 25 HB THR 25 3.798 3.038 5.764 201 HG1 THR 25 HG1 THR 25 4.807 1.461 7.291 202 HG21 THR 25 1HG2 THR 25 1.706 0.839 5.861 203 HG22 THR 25 2HG2 THR 25 1.744 2.148 4.684 204 HG23 THR 25 3HG2 THR 25 1.494 2.505 6.391 205 H TRP 26 H TRP 26 3.928 -0.528 3.045 206 HA TRP 26 HA TRP 26 2.753 1.379 1.119 207 HB2 TRP 26 2HB TRP 26 4.634 -0.914 0.343 208 HB3 TRP 26 1HB TRP 26 3.876 0.231 -0.760 209 HD1 TRP 26 HD TRP 26 4.801 2.855 -0.545 210 HE1 TRP 26 HE1 TRP 26 7.140 3.723 0.037 211 HE3 TRP 26 HE3 TRP 26 6.697 -1.360 1.666 212 HZ2 TRP 26 HZ2 TRP 26 9.486 2.759 1.256 213 HZ3 TRP 26 HZ3 TRP 26 9.008 -1.298 2.513 214 HH2 TRP 26 HH TRP 26 10.372 0.723 2.313 215 H VAL 27 H VAL 27 1.322 0.162 -0.458 216 HA VAL 27 HA VAL 27 0.179 -2.327 0.661 217 HB VAL 27 HB VAL 27 -2.130 -1.425 0.415 218 HG11 VAL 27 1HG1 VAL 27 -2.212 -0.080 2.477 219 HG12 VAL 27 2HG1 VAL 27 -0.454 0.099 2.426 220 HG13 VAL 27 3HG1 VAL 27 -1.172 -1.497 2.645 221 HG21 VAL 27 1HG2 VAL 27 -0.774 1.265 -0.003 222 HG22 VAL 27 2HG2 VAL 27 -2.510 1.016 0.211 223 HG23 VAL 27 3HG2 VAL 27 -1.694 0.357 -1.207 224 H ILE 28 H ILE 28 -1.352 -3.401 -0.839 225 HA ILE 28 HA ILE 28 -0.795 -2.807 -3.683 226 HB ILE 28 HB ILE 28 -0.331 -5.127 -4.189 227 HG12 ILE 28 2HG1 ILE 28 0.058 -6.643 -1.889 228 HG13 ILE 28 1HG1 ILE 28 -1.360 -5.716 -1.425 229 HG21 ILE 28 1HG2 ILE 28 1.267 -4.167 -1.790 230 HG22 ILE 28 2HG2 ILE 28 1.562 -3.780 -3.489 231 HG23 ILE 28 3HG2 ILE 28 1.783 -5.428 -2.907 232 HD11 ILE 28 1HD1 ILE 28 -1.928 -7.900 -2.350 233 HD12 ILE 28 2HD1 ILE 28 -1.133 -7.482 -3.865 234 HD13 ILE 28 3HD1 ILE 28 -2.578 -6.603 -3.356 235 H LEU 29 H LEU 29 -2.494 -2.816 -4.985 236 HA LEU 29 HA LEU 29 -5.150 -3.161 -3.880 237 HB2 LEU 29 2HB LEU 29 -3.981 -1.937 -6.348 238 HB3 LEU 29 1HB LEU 29 -5.617 -2.527 -6.502 239 HG LEU 29 HG LEU 29 -5.513 -0.097 -6.014 240 HD11 LEU 29 1HD1 LEU 29 -6.831 -1.682 -3.795 241 HD12 LEU 29 2HD1 LEU 29 -7.508 -1.379 -5.398 242 HD13 LEU 29 3HD1 LEU 29 -7.227 -0.036 -4.296 243 HD21 LEU 29 1HD2 LEU 29 -3.502 -0.086 -4.571 244 HD22 LEU 29 2HD2 LEU 29 -4.426 -0.859 -3.292 245 HD23 LEU 29 3HD2 LEU 29 -4.857 0.763 -3.833 246 H HIS 30 H HIS 30 -3.024 -5.061 -5.846 247 HA HIS 30 HA HIS 30 -4.561 -7.378 -5.998 248 HB2 HIS 30 2HB HIS 30 -6.074 -6.023 -7.479 249 HB3 HIS 30 1HB HIS 30 -4.735 -5.737 -8.581 250 HD1 HIS 30 HD1 HIS 30 -6.565 -8.753 -7.130 251 HD2 HIS 30 HD2 HIS 30 -4.819 -7.476 -10.678 252 HE1 HIS 30 HE1 HIS 30 -6.974 -10.591 -8.787 253 HE2 HIS 30 HE2 HIS 30 -5.855 -9.821 -10.893 254 H HIS 31 H HIS 31 -2.678 -5.596 -8.434 255 HA HIS 31 HA HIS 31 -0.459 -7.557 -8.284 256 HB2 HIS 31 2HB HIS 31 -1.629 -7.983 -10.382 257 HB3 HIS 31 1HB HIS 31 -1.721 -6.262 -10.740 258 HD1 HIS 31 HD1 HIS 31 0.717 -9.144 -10.745 259 HD2 HIS 31 HD2 HIS 31 0.534 -5.197 -12.026 260 HE1 HIS 31 HE1 HIS 31 2.787 -8.769 -12.112 261 HE2 HIS 31 HE2 HIS 31 2.734 -6.338 -12.699 262 H LYS 32 H LYS 32 -1.465 -4.277 -8.156 263 HA LYS 32 HA LYS 32 1.204 -3.210 -8.909 264 HB2 LYS 32 2HB LYS 32 -0.917 -2.634 -10.256 265 HB3 LYS 32 1HB LYS 32 -1.472 -1.739 -8.847 266 HG2 LYS 32 2HG LYS 32 0.460 -0.228 -9.036 267 HG3 LYS 32 1HG LYS 32 1.065 -1.151 -10.414 268 HD2 LYS 32 2HD LYS 32 -1.578 0.358 -10.326 269 HD3 LYS 32 1HD LYS 32 -0.113 0.916 -11.125 270 HE2 LYS 32 2HE LYS 32 -0.228 -0.928 -12.715 271 HE3 LYS 32 1HE LYS 32 -1.622 -1.612 -11.871 272 HZ1 LYS 32 1HZ LYS 32 -2.871 0.409 -12.419 273 HZ2 LYS 32 2HZ LYS 32 -2.322 -0.366 -13.816 274 HZ3 LYS 32 3HZ LYS 32 -1.543 1.021 -13.259 275 H VAL 33 H VAL 33 2.181 -1.643 -7.530 276 HA VAL 33 HA VAL 33 1.198 -1.662 -4.731 277 HB VAL 33 HB VAL 33 3.432 -2.794 -5.125 278 HG11 VAL 33 1HG1 VAL 33 4.456 -0.003 -5.745 279 HG12 VAL 33 2HG1 VAL 33 4.305 -1.326 -6.903 280 HG13 VAL 33 3HG1 VAL 33 5.435 -1.459 -5.556 281 HG21 VAL 33 1HG2 VAL 33 3.512 -0.352 -3.321 282 HG22 VAL 33 2HG2 VAL 33 4.590 -1.748 -3.209 283 HG23 VAL 33 3HG2 VAL 33 2.862 -1.939 -2.905 284 H TYR 34 H TYR 34 1.235 0.256 -3.542 285 HA TYR 34 HA TYR 34 1.729 2.785 -4.973 286 HB2 TYR 34 2HB TYR 34 -0.768 2.092 -3.361 287 HB3 TYR 34 1HB TYR 34 -0.374 3.709 -3.938 288 HD1 TYR 34 HD1 TYR 34 -1.752 0.456 -4.874 289 HD2 TYR 34 HD2 TYR 34 -0.336 4.171 -6.406 290 HE1 TYR 34 HE1 TYR 34 -2.877 0.004 -7.014 291 HE2 TYR 34 HE2 TYR 34 -1.459 3.725 -8.540 292 HH TYR 34 HH TYR 34 -3.770 1.259 -8.908 293 H ASP 35 H ASP 35 2.315 4.489 -3.719 294 HA ASP 35 HA ASP 35 3.823 3.979 -1.386 295 HB2 ASP 35 2HB ASP 35 4.394 5.772 -3.051 296 HB3 ASP 35 1HB ASP 35 2.960 6.662 -2.555 297 H LEU 36 H LEU 36 2.836 3.508 0.499 298 HA LEU 36 HA LEU 36 0.398 4.957 1.302 299 HB2 LEU 36 2HB LEU 36 0.802 2.313 1.374 300 HB3 LEU 36 1HB LEU 36 1.579 2.682 2.895 301 HG LEU 36 HG LEU 36 -0.739 1.930 3.231 302 HD11 LEU 36 1HD1 LEU 36 0.162 3.548 4.839 303 HD12 LEU 36 2HD1 LEU 36 -1.583 3.648 4.669 304 HD13 LEU 36 3HD1 LEU 36 -0.555 4.863 3.906 305 HD21 LEU 36 1HD2 LEU 36 -1.612 4.349 1.639 306 HD22 LEU 36 2HD2 LEU 36 -2.663 3.186 2.449 307 HD23 LEU 36 3HD2 LEU 36 -1.675 2.682 1.088 308 H THR 37 H THR 37 3.776 4.777 1.812 309 HA THR 37 HA THR 37 4.357 5.527 4.363 310 HB THR 37 HB THR 37 5.644 6.421 1.746 311 HG1 THR 37 HG1 THR 37 5.523 4.080 2.926 312 HG21 THR 37 1HG2 THR 37 6.434 7.961 3.492 313 HG22 THR 37 2HG2 THR 37 7.724 6.842 3.055 314 HG23 THR 37 3HG2 THR 37 6.821 6.603 4.552 315 H LYS 38 H LYS 38 3.455 7.726 1.707 316 HA LYS 38 HA LYS 38 3.189 9.996 3.575 317 HB2 LYS 38 2HB LYS 38 4.394 9.850 1.101 318 HB3 LYS 38 1HB LYS 38 2.822 10.435 0.649 319 HG2 LYS 38 2HG LYS 38 3.876 11.999 2.882 320 HG3 LYS 38 1HG LYS 38 5.021 11.946 1.547 321 HD2 LYS 38 2HD LYS 38 3.702 13.888 1.167 322 HD3 LYS 38 1HD LYS 38 3.100 12.687 0.024 323 HE2 LYS 38 2HE LYS 38 1.207 12.211 1.543 324 HE3 LYS 38 1HE LYS 38 1.816 13.427 2.671 325 HZ1 LYS 38 1HZ LYS 38 0.922 13.945 -0.114 326 HZ2 LYS 38 2HZ LYS 38 1.513 15.110 0.961 327 HZ3 LYS 38 3HZ LYS 38 0.061 14.318 1.290 328 H PHE 39 H PHE 39 1.273 7.705 1.777 329 HA PHE 39 HA PHE 39 -1.117 9.252 1.509 330 HB2 PHE 39 2HB PHE 39 -0.603 7.285 0.080 331 HB3 PHE 39 1HB PHE 39 -0.780 6.223 1.465 332 HD1 PHE 39 HD1 PHE 39 -3.013 5.603 2.287 333 HD2 PHE 39 HD2 PHE 39 -2.616 8.316 -1.000 334 HE1 PHE 39 HE1 PHE 39 -5.382 5.281 1.742 335 HE2 PHE 39 HE2 PHE 39 -5.006 7.981 -1.520 336 HZ PHE 39 HZ PHE 39 -6.378 6.470 -0.158 337 H LEU 40 H LEU 40 0.242 7.444 4.178 338 HA LEU 40 HA LEU 40 -2.192 7.425 5.722 339 HB2 LEU 40 2HB LEU 40 -0.724 6.795 7.647 340 HB3 LEU 40 1HB LEU 40 -0.644 5.730 6.262 341 HG LEU 40 HG LEU 40 1.561 6.994 5.647 342 HD11 LEU 40 1HD1 LEU 40 1.405 7.782 8.569 343 HD12 LEU 40 2HD1 LEU 40 1.365 8.875 7.184 344 HD13 LEU 40 3HD1 LEU 40 2.820 7.942 7.522 345 HD21 LEU 40 1HD2 LEU 40 2.912 5.511 7.058 346 HD22 LEU 40 2HD2 LEU 40 1.517 4.663 6.393 347 HD23 LEU 40 3HD2 LEU 40 1.506 5.182 8.082 348 H GLU 41 H GLU 41 0.443 9.655 5.204 349 HA GLU 41 HA GLU 41 -0.163 11.479 7.312 350 HB2 GLU 41 2HB GLU 41 1.407 11.796 4.724 351 HB3 GLU 41 1HB GLU 41 1.237 13.099 5.894 352 HG2 GLU 41 2HG GLU 41 2.491 10.401 6.488 353 HG3 GLU 41 1HG GLU 41 3.385 11.868 6.101 354 H GLU 42 H GLU 42 -1.780 10.820 4.352 355 HA GLU 42 HA GLU 42 -3.086 13.283 3.919 356 HB2 GLU 42 2HB GLU 42 -4.146 10.463 3.414 357 HB3 GLU 42 1HB GLU 42 -4.757 11.937 2.683 358 HG2 GLU 42 2HG GLU 42 -1.992 10.789 2.259 359 HG3 GLU 42 1HG GLU 42 -3.338 10.616 1.144 360 H PHE 43 H PHE 43 -3.696 10.586 6.092 361 HA PHE 43 HA PHE 43 -6.194 11.739 7.128 362 HB2 PHE 43 2HB PHE 43 -4.899 9.159 8.087 363 HB3 PHE 43 1HB PHE 43 -6.600 9.604 8.129 364 HD1 PHE 43 HD1 PHE 43 -4.335 7.496 6.548 365 HD2 PHE 43 HD2 PHE 43 -7.553 10.162 5.626 366 HE1 PHE 43 HE1 PHE 43 -4.661 6.358 4.393 367 HE2 PHE 43 HE2 PHE 43 -7.875 9.017 3.481 368 HZ PHE 43 HZ PHE 43 -6.435 7.130 2.862 369 HA PRO 44 HA PRO 44 -3.727 13.698 10.451 370 HB2 PRO 44 2HB PRO 44 -6.423 14.055 11.735 371 HB3 PRO 44 1HB PRO 44 -5.192 15.273 11.339 372 HG2 PRO 44 2HG PRO 44 -7.412 15.110 9.899 373 HG3 PRO 44 1HG PRO 44 -5.857 15.430 9.099 374 HD2 PRO 44 2HD PRO 44 -7.388 12.830 9.285 375 HD3 PRO 44 1HD PRO 44 -6.568 13.554 7.881 376 H GLY 45 H GLY 45 -2.655 12.090 11.454 377 HA2 GLY 45 2HA GLY 45 -2.086 10.520 13.038 378 HA3 GLY 45 1HA GLY 45 -3.622 10.832 13.838 379 H GLY 46 H GLY 46 -3.281 9.814 10.480 380 HA2 GLY 46 2HA GLY 46 -4.930 7.420 11.018 381 HA3 GLY 46 1HA GLY 46 -4.744 8.240 9.480 382 H GLU 47 H GLU 47 -1.873 7.813 11.218 383 HA GLU 47 HA GLU 47 -0.648 6.006 9.406 384 HB2 GLU 47 2HB GLU 47 0.439 7.797 10.866 385 HB3 GLU 47 1HB GLU 47 0.173 6.766 12.258 386 HG2 GLU 47 2HG GLU 47 1.889 6.039 9.879 387 HG3 GLU 47 1HG GLU 47 2.506 6.766 11.354 388 H GLU 48 H GLU 48 -2.057 5.700 12.642 389 HA GLU 48 HA GLU 48 -1.226 3.046 13.181 390 HB2 GLU 48 2HB GLU 48 -2.815 3.190 15.108 391 HB3 GLU 48 1HB GLU 48 -1.715 4.558 14.997 392 HG2 GLU 48 2HG GLU 48 -3.502 5.950 14.030 393 HG3 GLU 48 1HG GLU 48 -4.607 4.574 14.078 394 H VAL 49 H VAL 49 -4.087 4.273 11.540 395 HA VAL 49 HA VAL 49 -5.786 2.053 12.216 396 HB VAL 49 HB VAL 49 -6.576 4.400 11.857 397 HG11 VAL 49 1HG1 VAL 49 -6.976 5.275 9.606 398 HG12 VAL 49 2HG1 VAL 49 -6.194 3.858 8.900 399 HG13 VAL 49 3HG1 VAL 49 -5.255 4.986 9.880 400 HG21 VAL 49 1HG2 VAL 49 -8.207 2.583 11.885 401 HG22 VAL 49 2HG2 VAL 49 -7.992 2.329 10.151 402 HG23 VAL 49 3HG2 VAL 49 -8.703 3.834 10.742 403 H LEU 50 H LEU 50 -3.460 2.515 9.728 404 HA LEU 50 HA LEU 50 -4.558 0.311 8.057 405 HB2 LEU 50 2HB LEU 50 -3.212 1.558 6.163 406 HB3 LEU 50 1HB LEU 50 -4.804 2.128 6.625 407 HG LEU 50 HG LEU 50 -3.664 3.851 8.122 408 HD11 LEU 50 1HD1 LEU 50 -1.470 2.843 8.329 409 HD12 LEU 50 2HD1 LEU 50 -1.350 4.462 7.654 410 HD13 LEU 50 3HD1 LEU 50 -1.175 3.055 6.602 411 HD21 LEU 50 1HD2 LEU 50 -3.188 4.070 5.136 412 HD22 LEU 50 2HD2 LEU 50 -3.210 5.412 6.285 413 HD23 LEU 50 3HD2 LEU 50 -4.674 4.477 5.998 414 H ARG 51 H ARG 51 -2.003 1.298 10.011 415 HA ARG 51 HA ARG 51 0.364 0.504 8.807 416 HB2 ARG 51 2HB ARG 51 0.149 1.813 10.916 417 HB3 ARG 51 1HB ARG 51 -0.386 0.366 11.757 418 HG2 ARG 51 2HG ARG 51 1.854 -0.658 11.380 419 HG3 ARG 51 1HG ARG 51 2.371 0.814 10.552 420 HD2 ARG 51 2HD ARG 51 1.886 2.099 12.652 421 HD3 ARG 51 1HD ARG 51 1.533 0.571 13.458 422 HE ARG 51 HE ARG 51 3.943 -0.021 12.846 423 HH11 ARG 51 1HH1 ARG 51 2.924 3.289 13.487 424 HH12 ARG 51 2HH1 ARG 51 4.483 3.782 14.070 425 HH21 ARG 51 1HH2 ARG 51 5.965 0.642 13.673 426 HH22 ARG 51 2HH2 ARG 51 6.193 2.289 14.171 427 H GLU 52 H GLU 52 -1.979 -1.443 10.552 428 HA GLU 52 HA GLU 52 -0.635 -3.894 10.810 429 HB2 GLU 52 2HB GLU 52 -2.698 -3.354 12.017 430 HB3 GLU 52 1HB GLU 52 -3.596 -3.236 10.507 431 HG2 GLU 52 2HG GLU 52 -3.154 -5.691 10.143 432 HG3 GLU 52 1HG GLU 52 -2.437 -5.748 11.754 433 H GLN 53 H GLN 53 -2.974 -2.848 8.286 434 HA GLN 53 HA GLN 53 -2.655 -5.351 6.835 435 HB2 GLN 53 2HB GLN 53 -4.453 -2.969 6.239 436 HB3 GLN 53 1HB GLN 53 -4.530 -4.544 5.449 437 HG2 GLN 53 2HG GLN 53 -5.031 -5.566 7.710 438 HG3 GLN 53 1HG GLN 53 -5.154 -3.933 8.359 439 HE21 GLN 53 1HE2 GLN 53 -7.202 -5.966 8.299 440 HE22 GLN 53 2HE2 GLN 53 -8.519 -5.320 7.388 441 H ALA 54 H ALA 54 -0.901 -2.562 6.807 442 HA ALA 54 HA ALA 54 -0.197 -2.219 4.101 443 HB1 ALA 54 1HB ALA 54 0.564 -0.713 5.890 444 HB2 ALA 54 2HB ALA 54 1.946 -1.345 4.994 445 HB3 ALA 54 3HB ALA 54 1.548 -2.003 6.585 446 H GLY 55 H GLY 55 1.214 -3.368 2.750 447 HA2 GLY 55 2HA GLY 55 2.422 -5.161 1.944 448 HA3 GLY 55 1HA GLY 55 2.888 -5.520 3.599 449 H GLY 56 H GLY 56 -0.354 -5.385 2.182 450 HA2 GLY 56 2HA GLY 56 -0.662 -8.180 1.743 451 HA3 GLY 56 1HA GLY 56 -1.393 -7.713 3.279 452 H ASP 57 H ASP 57 -2.790 -5.638 3.100 453 HA ASP 57 HA ASP 57 -4.650 -6.054 0.829 454 HB2 ASP 57 2HB ASP 57 -5.596 -6.748 2.988 455 HB3 ASP 57 1HB ASP 57 -5.231 -5.179 3.679 456 H ALA 58 H ALA 58 -5.619 -4.374 -0.113 457 HA ALA 58 HA ALA 58 -5.544 -1.668 0.779 458 HB1 ALA 58 1HB ALA 58 -4.217 -2.188 -1.893 459 HB2 ALA 58 2HB ALA 58 -3.346 -1.844 -0.405 460 HB3 ALA 58 3HB ALA 58 -4.438 -0.636 -1.076 461 H THR 59 H THR 59 -6.390 -4.130 -1.554 462 HA THR 59 HA THR 59 -8.182 -2.788 -3.216 463 HB THR 59 HB THR 59 -7.473 -5.000 -3.784 464 HG1 THR 59 HG1 THR 59 -9.789 -4.302 -4.193 465 HG21 THR 59 1HG2 THR 59 -7.144 -5.931 -1.538 466 HG22 THR 59 2HG2 THR 59 -8.070 -7.022 -2.569 467 HG23 THR 59 3HG2 THR 59 -8.898 -6.066 -1.336 468 H GLU 60 H GLU 60 -8.587 -3.819 0.075 469 HA GLU 60 HA GLU 60 -11.315 -2.670 0.154 470 HB2 GLU 60 2HB GLU 60 -9.872 -4.409 2.215 471 HB3 GLU 60 1HB GLU 60 -11.540 -3.844 2.320 472 HG2 GLU 60 2HG GLU 60 -12.154 -5.183 0.361 473 HG3 GLU 60 1HG GLU 60 -10.480 -5.692 0.158 474 H ASN 61 H ASN 61 -8.192 -2.767 1.904 475 HA ASN 61 HA ASN 61 -8.746 -0.985 3.944 476 HB2 ASN 61 2HB ASN 61 -6.883 -2.545 4.025 477 HB3 ASN 61 1HB ASN 61 -6.067 -1.716 2.705 478 HD21 ASN 61 1HD2 ASN 61 -4.813 0.068 3.174 479 HD22 ASN 61 2HD2 ASN 61 -4.539 0.658 4.769 480 H PHE 62 H PHE 62 -7.328 -0.136 0.747 481 HA PHE 62 HA PHE 62 -6.245 2.357 1.467 482 HB2 PHE 62 2HB PHE 62 -5.583 2.557 -0.736 483 HB3 PHE 62 1HB PHE 62 -6.013 0.860 -0.774 484 HD1 PHE 62 HD1 PHE 62 -8.581 0.378 -1.525 485 HD2 PHE 62 HD2 PHE 62 -6.407 3.949 -2.433 486 HE1 PHE 62 HE1 PHE 62 -10.102 0.830 -3.404 487 HE2 PHE 62 HE2 PHE 62 -7.942 4.387 -4.302 488 HZ PHE 62 HZ PHE 62 -9.783 2.839 -4.789 489 H GLU 63 H GLU 63 -9.514 1.496 0.629 490 HA GLU 63 HA GLU 63 -10.427 4.315 0.585 491 HB2 GLU 63 2HB GLU 63 -10.916 2.841 -1.410 492 HB3 GLU 63 1HB GLU 63 -11.899 1.823 -0.366 493 HG2 GLU 63 2HG GLU 63 -13.406 3.756 0.063 494 HG3 GLU 63 1HG GLU 63 -12.433 4.741 -1.030 495 H ASP 64 H ASP 64 -10.574 1.298 2.312 496 HA ASP 64 HA ASP 64 -12.963 1.616 3.810 497 HB2 ASP 64 2HB ASP 64 -11.872 -0.574 3.608 498 HB3 ASP 64 1HB ASP 64 -10.421 0.023 4.400 499 H VAL 65 H VAL 65 -9.578 2.061 4.800 500 HA VAL 65 HA VAL 65 -10.273 3.891 6.975 501 HB VAL 65 HB VAL 65 -7.914 3.899 7.531 502 HG11 VAL 65 1HG1 VAL 65 -8.768 1.073 6.808 503 HG12 VAL 65 2HG1 VAL 65 -9.191 1.945 8.285 504 HG13 VAL 65 3HG1 VAL 65 -7.510 1.513 7.972 505 HG21 VAL 65 1HG2 VAL 65 -6.915 4.034 5.305 506 HG22 VAL 65 2HG2 VAL 65 -7.403 2.378 4.952 507 HG23 VAL 65 3HG2 VAL 65 -6.203 2.694 6.201 508 H GLY 66 H GLY 66 -9.841 4.103 3.687 509 HA2 GLY 66 2HA GLY 66 -8.459 6.631 3.490 510 HA3 GLY 66 1HA GLY 66 -9.131 5.679 2.184 511 H PHE 67 H PHE 67 -9.376 8.417 2.221 512 HA PHE 67 HA PHE 67 -11.887 9.377 3.134 513 HB2 PHE 67 2HB PHE 67 -10.196 10.283 0.765 514 HB3 PHE 67 1HB PHE 67 -11.542 11.182 1.438 515 HD1 PHE 67 HD1 PHE 67 -8.104 11.187 1.293 516 HD2 PHE 67 HD2 PHE 67 -11.255 11.435 4.187 517 HE1 PHE 67 HE1 PHE 67 -6.610 12.394 2.834 518 HE2 PHE 67 HE2 PHE 67 -9.749 12.638 5.712 519 HZ PHE 67 HZ PHE 67 -7.434 13.122 5.036 520 H SER 68 H SER 68 -13.614 10.152 1.541 521 HA SER 68 HA SER 68 -14.857 7.884 0.401 522 HB2 SER 68 2HB SER 68 -15.641 10.802 0.056 523 HB3 SER 68 1HB SER 68 -16.702 9.399 -0.118 524 HG SER 68 HG SER 68 -16.225 8.959 2.139 525 H THR 69 H THR 69 -14.138 10.948 -1.363 526 HA THR 69 HA THR 69 -13.850 9.463 -3.871 527 HB THR 69 HB THR 69 -13.733 11.687 -4.969 528 HG1 THR 69 HG1 THR 69 -12.769 13.020 -3.521 529 HG21 THR 69 1HG2 THR 69 -16.030 11.537 -2.982 530 HG22 THR 69 2HG2 THR 69 -15.976 10.727 -4.549 531 HG23 THR 69 3HG2 THR 69 -16.016 12.492 -4.466 532 H ASP 70 H ASP 70 -11.911 11.388 -1.596 533 HA ASP 70 HA ASP 70 -9.772 12.016 -3.279 534 HB2 ASP 70 2HB ASP 70 -9.769 11.759 -0.255 535 HB3 ASP 70 1HB ASP 70 -8.426 12.417 -1.170 536 H ALA 71 H ALA 71 -9.997 9.307 -0.930 537 HA ALA 71 HA ALA 71 -7.460 8.230 -1.128 538 HB1 ALA 71 1HB ALA 71 -10.042 6.651 -0.823 539 HB2 ALA 71 2HB ALA 71 -9.174 7.458 0.480 540 HB3 ALA 71 3HB ALA 71 -8.419 6.109 -0.364 541 H ARG 72 H ARG 72 -10.117 7.859 -3.344 542 HA ARG 72 HA ARG 72 -9.154 5.670 -4.897 543 HB2 ARG 72 2HB ARG 72 -11.210 7.806 -5.589 544 HB3 ARG 72 1HB ARG 72 -11.041 6.241 -6.380 545 HG2 ARG 72 2HG ARG 72 -11.757 5.076 -4.388 546 HG3 ARG 72 1HG ARG 72 -11.712 6.569 -3.442 547 HD2 ARG 72 2HD ARG 72 -14.005 6.025 -3.979 548 HD3 ARG 72 1HD ARG 72 -13.537 7.486 -4.842 549 HE ARG 72 HE ARG 72 -13.382 6.161 -6.866 550 HH11 ARG 72 1HH1 ARG 72 -15.094 4.647 -4.177 551 HH12 ARG 72 2HH1 ARG 72 -15.988 3.576 -5.201 552 HH21 ARG 72 1HH2 ARG 72 -14.562 4.729 -8.191 553 HH22 ARG 72 2HH2 ARG 72 -15.686 3.621 -7.474 554 H GLU 73 H GLU 73 -9.245 9.199 -5.395 555 HA GLU 73 HA GLU 73 -7.845 9.072 -7.946 556 HB2 GLU 73 2HB GLU 73 -8.208 11.502 -8.000 557 HB3 GLU 73 1HB GLU 73 -9.698 10.666 -7.577 558 HG2 GLU 73 2HG GLU 73 -9.130 11.176 -5.135 559 HG3 GLU 73 1HG GLU 73 -7.882 12.251 -5.749 560 H LEU 74 H LEU 74 -6.973 9.300 -4.654 561 HA LEU 74 HA LEU 74 -4.338 10.474 -5.115 562 HB2 LEU 74 2HB LEU 74 -5.612 9.225 -2.646 563 HB3 LEU 74 1HB LEU 74 -3.969 9.842 -2.674 564 HG LEU 74 HG LEU 74 -6.442 11.552 -3.162 565 HD11 LEU 74 1HD1 LEU 74 -6.423 10.694 -0.867 566 HD12 LEU 74 2HD1 LEU 74 -6.114 12.427 -0.899 567 HD13 LEU 74 3HD1 LEU 74 -4.779 11.297 -0.632 568 HD21 LEU 74 1HD2 LEU 74 -4.446 12.465 -4.237 569 HD22 LEU 74 2HD2 LEU 74 -3.552 12.364 -2.717 570 HD23 LEU 74 3HD2 LEU 74 -4.932 13.459 -2.864 571 H SER 75 H SER 75 -5.836 7.264 -4.925 572 HA SER 75 HA SER 75 -3.539 5.678 -4.596 573 HB2 SER 75 2HB SER 75 -5.828 4.720 -4.603 574 HB3 SER 75 1HB SER 75 -5.973 5.053 -6.328 575 HG SER 75 HG SER 75 -3.872 3.453 -5.306 576 H LYS 76 H LYS 76 -5.055 6.781 -7.669 577 HA LYS 76 HA LYS 76 -3.010 5.845 -9.376 578 HB2 LYS 76 2HB LYS 76 -4.010 7.312 -11.121 579 HB3 LYS 76 1HB LYS 76 -5.208 6.329 -10.287 580 HG2 LYS 76 2HG LYS 76 -6.060 8.189 -9.071 581 HG3 LYS 76 1HG LYS 76 -4.692 9.212 -9.497 582 HD2 LYS 76 2HD LYS 76 -6.358 8.158 -11.771 583 HD3 LYS 76 1HD LYS 76 -7.100 9.373 -10.738 584 HE2 LYS 76 2HE LYS 76 -5.961 10.289 -12.787 585 HE3 LYS 76 1HE LYS 76 -5.405 10.989 -11.272 586 HZ1 LYS 76 1HZ LYS 76 -3.585 10.518 -12.794 587 HZ2 LYS 76 2HZ LYS 76 -3.982 8.878 -12.807 588 HZ3 LYS 76 3HZ LYS 76 -3.437 9.603 -11.380 589 H LYS 77 H LYS 77 -3.035 8.612 -7.325 590 HA LYS 77 HA LYS 77 -1.034 10.130 -8.800 591 HB2 LYS 77 2HB LYS 77 -2.955 11.131 -7.393 592 HB3 LYS 77 1HB LYS 77 -2.042 10.673 -5.965 593 HG2 LYS 77 2HG LYS 77 -0.838 12.448 -8.108 594 HG3 LYS 77 1HG LYS 77 -1.868 13.108 -6.846 595 HD2 LYS 77 2HD LYS 77 -0.302 12.365 -5.115 596 HD3 LYS 77 1HD LYS 77 0.686 11.539 -6.321 597 HE2 LYS 77 2HE LYS 77 1.749 13.631 -5.709 598 HE3 LYS 77 1HE LYS 77 1.178 13.743 -7.375 599 HZ1 LYS 77 1HZ LYS 77 -0.684 15.049 -6.647 600 HZ2 LYS 77 2HZ LYS 77 0.725 15.742 -6.021 601 HZ3 LYS 77 3HZ LYS 77 -0.285 14.825 -5.026 602 H TYR 78 H TYR 78 -1.244 8.030 -5.947 603 HA TYR 78 HA TYR 78 1.604 8.357 -5.314 604 HB2 TYR 78 2HB TYR 78 -0.730 7.011 -3.864 605 HB3 TYR 78 1HB TYR 78 0.941 6.794 -3.348 606 HD1 TYR 78 HD1 TYR 78 1.854 8.328 -1.758 607 HD2 TYR 78 HD2 TYR 78 -1.500 9.554 -4.106 608 HE1 TYR 78 HE1 TYR 78 1.717 10.446 -0.530 609 HE2 TYR 78 HE2 TYR 78 -1.623 11.649 -2.854 610 HH TYR 78 HH TYR 78 -0.927 12.561 -0.723 611 H ILE 79 H ILE 79 0.746 7.069 -7.789 612 HA ILE 79 HA ILE 79 1.357 4.297 -7.659 613 HB ILE 79 HB ILE 79 0.134 5.120 -9.576 614 HG12 ILE 79 2HG1 ILE 79 1.436 4.188 -11.476 615 HG13 ILE 79 1HG1 ILE 79 2.914 4.285 -10.523 616 HG21 ILE 79 1HG2 ILE 79 1.022 6.675 -11.260 617 HG22 ILE 79 2HG2 ILE 79 2.487 6.890 -10.301 618 HG23 ILE 79 3HG2 ILE 79 0.934 7.433 -9.666 619 HD11 ILE 79 1HD1 ILE 79 0.525 2.574 -9.825 620 HD12 ILE 79 2HD1 ILE 79 2.086 2.597 -8.999 621 HD13 ILE 79 3HD1 ILE 79 1.973 2.013 -10.657 622 H ILE 80 H ILE 80 3.218 3.539 -7.027 623 HA ILE 80 HA ILE 80 5.732 5.053 -7.454 624 HB ILE 80 HB ILE 80 5.040 4.697 -5.079 625 HG12 ILE 80 2HG1 ILE 80 7.607 3.167 -5.692 626 HG13 ILE 80 1HG1 ILE 80 7.476 4.921 -5.761 627 HG21 ILE 80 1HG2 ILE 80 3.919 2.525 -5.291 628 HG22 ILE 80 2HG2 ILE 80 5.153 2.485 -4.031 629 HG23 ILE 80 3HG2 ILE 80 5.471 1.741 -5.600 630 HD11 ILE 80 1HD1 ILE 80 8.466 4.214 -3.673 631 HD12 ILE 80 2HD1 ILE 80 7.059 3.219 -3.299 632 HD13 ILE 80 3HD1 ILE 80 6.905 4.978 -3.380 633 H GLY 81 H GLY 81 4.031 2.080 -8.081 634 HA2 GLY 81 2HA GLY 81 5.372 1.357 -10.351 635 HA3 GLY 81 1HA GLY 81 6.293 0.573 -9.068 636 H GLU 82 H GLU 82 5.612 -1.455 -10.152 637 HA GLU 82 HA GLU 82 2.885 -2.287 -9.324 638 HB2 GLU 82 2HB GLU 82 3.114 -4.184 -10.853 639 HB3 GLU 82 1HB GLU 82 3.387 -2.676 -11.717 640 HG2 GLU 82 2HG GLU 82 5.788 -3.054 -11.748 641 HG3 GLU 82 1HG GLU 82 5.610 -4.481 -10.727 642 H LEU 83 H LEU 83 2.655 -4.132 -8.027 643 HA LEU 83 HA LEU 83 4.940 -5.062 -6.510 644 HB2 LEU 83 2HB LEU 83 2.431 -4.811 -5.733 645 HB3 LEU 83 1HB LEU 83 2.193 -6.373 -6.484 646 HG LEU 83 HG LEU 83 2.506 -6.490 -4.012 647 HD11 LEU 83 1HD1 LEU 83 3.097 -8.453 -5.330 648 HD12 LEU 83 2HD1 LEU 83 4.075 -8.315 -3.874 649 HD13 LEU 83 3HD1 LEU 83 4.763 -7.887 -5.443 650 HD21 LEU 83 1HD2 LEU 83 5.312 -5.472 -4.520 651 HD22 LEU 83 2HD2 LEU 83 4.671 -6.038 -2.976 652 HD23 LEU 83 3HD2 LEU 83 4.007 -4.590 -3.726 653 H HIS 84 H HIS 84 5.751 -7.183 -6.609 654 HA HIS 84 HA HIS 84 6.276 -8.201 -9.172 655 HB2 HIS 84 2HB HIS 84 7.727 -8.293 -7.056 656 HB3 HIS 84 1HB HIS 84 6.719 -9.625 -6.508 657 HD1 HIS 84 HD1 HIS 84 7.843 -11.796 -6.924 658 HD2 HIS 84 HD2 HIS 84 8.834 -8.971 -9.794 659 HE1 HIS 84 HE1 HIS 84 9.432 -12.940 -8.487 660 HE2 HIS 84 HE2 HIS 84 9.808 -11.283 -10.327 661 HA PRO 85 HA PRO 85 2.455 -10.529 -9.908 662 HB2 PRO 85 2HB PRO 85 3.636 -12.480 -11.642 663 HB3 PRO 85 1HB PRO 85 2.903 -10.937 -12.115 664 HG2 PRO 85 2HG PRO 85 5.780 -11.595 -11.688 665 HG3 PRO 85 1HG PRO 85 5.030 -10.502 -12.872 666 HD2 PRO 85 2HD PRO 85 6.292 -9.515 -10.729 667 HD3 PRO 85 1HD PRO 85 4.799 -8.756 -11.315 668 H ASP 86 H ASP 86 5.387 -12.246 -8.975 669 HA ASP 86 HA ASP 86 4.120 -14.662 -8.108 670 HB2 ASP 86 2HB ASP 86 6.507 -14.559 -8.783 671 HB3 ASP 86 1HB ASP 86 6.861 -13.506 -7.420 672 H ASP 87 H ASP 87 5.283 -11.719 -6.422 673 HA ASP 87 HA ASP 87 5.019 -12.909 -3.818 674 HB2 ASP 87 2HB ASP 87 5.813 -10.164 -4.798 675 HB3 ASP 87 1HB ASP 87 5.528 -10.424 -3.079 676 H ARG 88 H ARG 88 2.920 -10.827 -5.722 677 HA ARG 88 HA ARG 88 1.149 -10.120 -3.590 678 HB2 ARG 88 2HB ARG 88 -0.404 -9.460 -5.431 679 HB3 ARG 88 1HB ARG 88 1.209 -8.788 -5.610 680 HG2 ARG 88 2HG ARG 88 0.799 -9.446 -7.786 681 HG3 ARG 88 1HG ARG 88 1.595 -10.888 -7.170 682 HD2 ARG 88 2HD ARG 88 -0.745 -11.813 -6.686 683 HD3 ARG 88 1HD ARG 88 -1.372 -10.458 -7.627 684 HE ARG 88 HE ARG 88 0.404 -11.582 -9.315 685 HH11 ARG 88 1HH1 ARG 88 -2.261 -12.960 -7.454 686 HH12 ARG 88 2HH1 ARG 88 -2.555 -14.220 -8.606 687 HH21 ARG 88 1HH2 ARG 88 0.009 -13.250 -10.782 688 HH22 ARG 88 2HH2 ARG 88 -1.267 -14.380 -10.486 689 H SER 89 H SER 89 1.548 -12.965 -5.511 690 HA SER 89 HA SER 89 -0.954 -14.228 -4.610 691 HB2 SER 89 2HB SER 89 -0.252 -14.404 -7.020 692 HB3 SER 89 1HB SER 89 1.191 -15.280 -6.516 693 HG SER 89 HG SER 89 -0.168 -16.912 -5.698 694 H LYS 90 H LYS 90 2.338 -13.996 -3.746 695 HA LYS 90 HA LYS 90 2.669 -16.637 -2.568 696 HB2 LYS 90 2HB LYS 90 4.550 -15.496 -3.709 697 HB3 LYS 90 1HB LYS 90 4.456 -14.160 -2.568 698 HG2 LYS 90 2HG LYS 90 5.117 -15.719 -0.733 699 HG3 LYS 90 1HG LYS 90 5.255 -17.022 -1.922 700 HD2 LYS 90 2HD LYS 90 7.020 -15.729 -3.121 701 HD3 LYS 90 1HD LYS 90 6.878 -14.441 -1.922 702 HE2 LYS 90 2HE LYS 90 7.692 -15.923 -0.168 703 HE3 LYS 90 1HE LYS 90 7.712 -17.288 -1.287 704 HZ1 LYS 90 1HZ LYS 90 9.411 -16.170 -2.577 705 HZ2 LYS 90 2HZ LYS 90 9.916 -16.338 -0.975 706 HZ3 LYS 90 3HZ LYS 90 9.378 -14.839 -1.539 707 H ILE 91 H ILE 91 2.916 -13.295 -1.354 708 HA ILE 91 HA ILE 91 2.188 -14.172 1.386 709 HB ILE 91 HB ILE 91 3.611 -11.569 0.614 710 HG12 ILE 91 2HG1 ILE 91 5.004 -14.151 1.481 711 HG13 ILE 91 1HG1 ILE 91 4.903 -13.612 -0.188 712 HG21 ILE 91 1HG2 ILE 91 4.380 -11.580 2.964 713 HG22 ILE 91 2HG2 ILE 91 3.518 -13.090 3.258 714 HG23 ILE 91 3HG2 ILE 91 2.618 -11.617 2.884 715 HD11 ILE 91 1HD1 ILE 91 6.327 -12.206 2.062 716 HD12 ILE 91 2HD1 ILE 91 6.152 -11.576 0.418 717 HD13 ILE 91 3HD1 ILE 91 7.046 -13.073 0.704 718 H ALA 92 H ALA 92 0.214 -13.806 -0.607 719 HA ALA 92 HA ALA 92 -1.028 -11.350 -0.907 720 HB1 ALA 92 1HB ALA 92 -3.066 -12.622 -1.440 721 HB2 ALA 92 2HB ALA 92 -2.366 -14.070 -0.709 722 HB3 ALA 92 3HB ALA 92 -1.643 -13.376 -2.162 723 H LYS 93 H LYS 93 -1.109 -13.520 1.838 724 HA LYS 93 HA LYS 93 -2.088 -11.396 3.545 725 HB2 LYS 93 2HB LYS 93 -3.831 -12.742 4.639 726 HB3 LYS 93 1HB LYS 93 -4.205 -12.518 2.941 727 HG2 LYS 93 2HG LYS 93 -3.014 -15.059 4.097 728 HG3 LYS 93 1HG LYS 93 -4.738 -14.801 3.874 729 HD2 LYS 93 2HD LYS 93 -2.660 -14.849 1.650 730 HD3 LYS 93 1HD LYS 93 -3.720 -16.189 2.079 731 HE2 LYS 93 2HE LYS 93 -4.630 -13.487 1.032 732 HE3 LYS 93 1HE LYS 93 -4.541 -14.982 0.100 733 HZ1 LYS 93 1HZ LYS 93 -6.780 -14.539 0.853 734 HZ2 LYS 93 2HZ LYS 93 -6.273 -14.530 2.466 735 HZ3 LYS 93 3HZ LYS 93 -6.189 -15.953 1.561 736 HA PRO 94 HA PRO 94 1.343 -13.447 5.873 737 HB2 PRO 94 2HB PRO 94 0.661 -11.108 7.663 738 HB3 PRO 94 1HB PRO 94 2.251 -11.667 7.097 739 HG2 PRO 94 2HG PRO 94 1.181 -9.477 6.054 740 HG3 PRO 94 1HG PRO 94 2.024 -10.646 5.005 741 HD2 PRO 94 2HD PRO 94 -0.949 -10.260 5.386 742 HD3 PRO 94 1HD PRO 94 -0.031 -10.548 3.889 743 H SER 95 H SER 95 0.922 -15.105 7.289 744 HA SER 95 HA SER 95 -1.672 -15.272 8.657 745 HB2 SER 95 2HB SER 95 -0.955 -17.219 7.333 746 HB3 SER 95 1HB SER 95 0.531 -17.343 8.274 747 HG SER 95 HG SER 95 -1.667 -18.573 8.781 748 H GLU 96 H GLU 96 -1.747 -16.161 10.865 749 HA GLU 96 HA GLU 96 -0.228 -14.536 12.702 750 HB2 GLU 96 2HB GLU 96 -2.272 -16.741 13.241 751 HB3 GLU 96 1HB GLU 96 -1.699 -15.567 14.423 752 HG2 GLU 96 2HG GLU 96 -2.785 -13.746 13.273 753 HG3 GLU 96 1HG GLU 96 -3.138 -14.761 11.876 754 H THR 97 H THR 97 0.070 -17.754 11.495 755 HA THR 97 HA THR 97 2.123 -18.458 13.521 756 HB THR 97 HB THR 97 0.188 -20.050 13.332 757 HG1 THR 97 HG1 THR 97 2.640 -21.222 12.450 758 HG21 THR 97 1HG2 THR 97 0.021 -21.554 11.383 759 HG22 THR 97 2HG2 THR 97 1.266 -20.624 10.547 760 HG23 THR 97 3HG2 THR 97 -0.291 -19.878 10.922 761 H LEU 98 H LEU 98 1.658 -17.536 10.268 762 HA LEU 98 HA LEU 98 4.352 -18.458 9.458 763 HB2 LEU 98 2HB LEU 98 2.378 -19.756 8.461 764 HB3 LEU 98 1HB LEU 98 1.904 -18.287 7.645 765 HG LEU 98 HG LEU 98 4.636 -19.540 7.145 766 HD11 LEU 98 1HD1 LEU 98 3.713 -20.747 5.224 767 HD12 LEU 98 2HD1 LEU 98 2.080 -20.222 5.647 768 HD13 LEU 98 3HD1 LEU 98 2.972 -21.296 6.726 769 HD21 LEU 98 1HD2 LEU 98 2.914 -17.762 5.374 770 HD22 LEU 98 2HD2 LEU 98 4.524 -18.381 4.991 771 HD23 LEU 98 3HD2 LEU 98 4.316 -17.234 6.311 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 15.383 -7.240 -7.288 2 H2 ALA 1 2H ALA 1 14.887 -7.607 -5.723 3 H3 ALA 1 3H ALA 1 16.370 -6.857 -5.975 4 HA ALA 1 HA ALA 1 13.691 -5.711 -6.475 5 HB1 ALA 1 1HB ALA 1 15.804 -4.961 -4.429 6 HB2 ALA 1 2HB ALA 1 14.295 -5.812 -4.099 7 HB3 ALA 1 3HB ALA 1 14.255 -4.142 -4.661 8 H GLU 2 H GLU 2 17.055 -5.665 -7.295 9 HA GLU 2 HA GLU 2 17.297 -2.968 -8.148 10 HB2 GLU 2 2HB GLU 2 19.309 -3.774 -9.429 11 HB3 GLU 2 1HB GLU 2 19.321 -4.210 -7.724 12 HG2 GLU 2 2HG GLU 2 18.735 -6.499 -8.238 13 HG3 GLU 2 1HG GLU 2 18.500 -6.110 -9.944 14 H GLN 3 H GLN 3 15.670 -2.289 -9.466 15 HA GLN 3 HA GLN 3 15.348 -3.548 -12.118 16 HB2 GLN 3 2HB GLN 3 13.276 -3.043 -10.817 17 HB3 GLN 3 1HB GLN 3 13.696 -1.336 -10.816 18 HG2 GLN 3 2HG GLN 3 11.974 -1.913 -12.521 19 HG3 GLN 3 1HG GLN 3 13.428 -1.204 -13.228 20 HE21 GLN 3 1HE2 GLN 3 11.658 -4.217 -12.765 21 HE22 GLN 3 2HE2 GLN 3 12.368 -5.056 -14.092 22 H SER 4 H SER 4 15.925 -2.447 -13.975 23 HA SER 4 HA SER 4 18.010 -0.492 -13.752 24 HB2 SER 4 2HB SER 4 18.061 -0.694 -16.261 25 HB3 SER 4 1HB SER 4 18.155 -2.248 -15.431 26 HG SER 4 HG SER 4 16.395 -2.817 -16.400 27 H ASP 5 H ASP 5 14.586 -0.379 -14.421 28 HA ASP 5 HA ASP 5 14.571 2.432 -15.208 29 HB2 ASP 5 2HB ASP 5 12.305 0.499 -14.554 30 HB3 ASP 5 1HB ASP 5 12.051 2.163 -15.063 31 H LYS 6 H LYS 6 13.725 4.120 -13.938 32 HA LYS 6 HA LYS 6 14.280 3.891 -11.081 33 HB2 LYS 6 2HB LYS 6 15.172 5.798 -12.346 34 HB3 LYS 6 1HB LYS 6 13.548 6.283 -12.819 35 HG2 LYS 6 2HG LYS 6 12.995 6.837 -10.489 36 HG3 LYS 6 1HG LYS 6 14.574 6.254 -9.952 37 HD2 LYS 6 2HD LYS 6 14.106 8.616 -11.824 38 HD3 LYS 6 1HD LYS 6 14.469 8.739 -10.101 39 HE2 LYS 6 2HE LYS 6 16.677 7.731 -10.464 40 HE3 LYS 6 1HE LYS 6 16.310 7.489 -12.174 41 HZ1 LYS 6 1HZ LYS 6 17.680 9.448 -11.776 42 HZ2 LYS 6 2HZ LYS 6 16.455 10.136 -10.834 43 HZ3 LYS 6 3HZ LYS 6 16.199 9.848 -12.481 44 H ASP 7 H ASP 7 11.612 5.208 -13.050 45 HA ASP 7 HA ASP 7 9.688 5.010 -10.881 46 HB2 ASP 7 2HB ASP 7 9.425 5.971 -13.767 47 HB3 ASP 7 1HB ASP 7 8.105 5.994 -12.600 48 H VAL 8 H VAL 8 7.542 4.001 -11.361 49 HA VAL 8 HA VAL 8 6.419 2.087 -11.293 50 HB VAL 8 HB VAL 8 7.670 1.366 -13.977 51 HG11 VAL 8 1HG1 VAL 8 5.562 0.076 -14.352 52 HG12 VAL 8 2HG1 VAL 8 5.041 0.477 -12.713 53 HG13 VAL 8 3HG1 VAL 8 6.469 -0.528 -12.962 54 HG21 VAL 8 1HG2 VAL 8 6.698 3.631 -14.093 55 HG22 VAL 8 2HG2 VAL 8 5.175 3.027 -13.440 56 HG23 VAL 8 3HG2 VAL 8 5.725 2.493 -15.032 57 H LYS 9 H LYS 9 7.757 1.617 -9.489 58 HA LYS 9 HA LYS 9 10.135 -0.022 -9.786 59 HB2 LYS 9 2HB LYS 9 8.767 0.887 -7.215 60 HB3 LYS 9 1HB LYS 9 10.433 0.322 -7.400 61 HG2 LYS 9 2HG LYS 9 10.920 2.336 -8.788 62 HG3 LYS 9 1HG LYS 9 9.267 2.898 -8.519 63 HD2 LYS 9 2HD LYS 9 10.770 4.051 -6.992 64 HD3 LYS 9 1HD LYS 9 9.709 2.982 -6.072 65 HE2 LYS 9 2HE LYS 9 12.048 2.910 -5.256 66 HE3 LYS 9 1HE LYS 9 11.523 1.335 -5.857 67 HZ1 LYS 9 1HZ LYS 9 13.755 1.933 -6.602 68 HZ2 LYS 9 2HZ LYS 9 13.136 3.288 -7.399 69 HZ3 LYS 9 3HZ LYS 9 12.697 1.740 -7.903 70 H TYR 10 H TYR 10 10.162 -2.144 -9.670 71 HA TYR 10 HA TYR 10 7.865 -3.755 -9.050 72 HB2 TYR 10 2HB TYR 10 10.764 -4.490 -9.728 73 HB3 TYR 10 1HB TYR 10 9.477 -5.671 -9.476 74 HD1 TYR 10 HD1 TYR 10 9.905 -2.486 -11.468 75 HD2 TYR 10 HD2 TYR 10 8.587 -6.551 -11.465 76 HE1 TYR 10 HE1 TYR 10 9.266 -2.271 -13.816 77 HE2 TYR 10 HE2 TYR 10 7.950 -6.329 -13.827 78 HH TYR 10 HH TYR 10 7.224 -4.212 -15.335 79 H TYR 11 H TYR 11 7.355 -3.385 -6.931 80 HA TYR 11 HA TYR 11 9.339 -3.810 -4.814 81 HB2 TYR 11 2HB TYR 11 6.434 -2.987 -4.834 82 HB3 TYR 11 1HB TYR 11 7.136 -3.600 -3.339 83 HD1 TYR 11 HD1 TYR 11 7.209 -0.803 -5.786 84 HD2 TYR 11 HD2 TYR 11 8.793 -2.314 -2.117 85 HE1 TYR 11 HE1 TYR 11 8.137 1.406 -5.277 86 HE2 TYR 11 HE2 TYR 11 9.731 -0.107 -1.611 87 HH TYR 11 HH TYR 11 10.399 1.928 -2.775 88 H THR 12 H THR 12 9.273 -5.462 -3.306 89 HA THR 12 HA THR 12 7.783 -7.911 -4.038 90 HB THR 12 HB THR 12 9.479 -8.975 -2.331 91 HG1 THR 12 HG1 THR 12 10.173 -6.600 -1.911 92 HG21 THR 12 1HG2 THR 12 9.603 -9.430 -4.748 93 HG22 THR 12 2HG2 THR 12 11.219 -9.259 -4.062 94 HG23 THR 12 3HG2 THR 12 10.515 -7.938 -4.996 95 H LEU 13 H LEU 13 6.171 -8.496 -2.743 96 HA LEU 13 HA LEU 13 5.130 -6.717 -0.807 97 HB2 LEU 13 2HB LEU 13 3.863 -8.271 -2.397 98 HB3 LEU 13 1HB LEU 13 4.225 -9.576 -1.289 99 HG LEU 13 HG LEU 13 2.865 -8.518 0.468 100 HD11 LEU 13 1HD1 LEU 13 3.321 -6.176 0.007 101 HD12 LEU 13 2HD1 LEU 13 1.583 -6.452 0.019 102 HD13 LEU 13 3HD1 LEU 13 2.435 -6.264 -1.518 103 HD21 LEU 13 1HD2 LEU 13 1.727 -9.982 -1.159 104 HD22 LEU 13 2HD2 LEU 13 1.376 -8.585 -2.182 105 HD23 LEU 13 3HD2 LEU 13 0.654 -8.712 -0.572 106 H GLU 14 H GLU 14 7.043 -9.643 -0.562 107 HA GLU 14 HA GLU 14 6.912 -10.184 2.178 108 HB2 GLU 14 2HB GLU 14 8.080 -11.579 0.454 109 HB3 GLU 14 1HB GLU 14 9.343 -10.348 0.350 110 HG2 GLU 14 2HG GLU 14 9.641 -10.774 2.911 111 HG3 GLU 14 1HG GLU 14 8.725 -12.255 2.619 112 H GLU 15 H GLU 15 9.057 -8.015 0.395 113 HA GLU 15 HA GLU 15 10.614 -6.973 2.479 114 HB2 GLU 15 2HB GLU 15 10.777 -6.866 -0.169 115 HB3 GLU 15 1HB GLU 15 9.848 -5.388 0.001 116 HG2 GLU 15 2HG GLU 15 12.624 -5.971 1.069 117 HG3 GLU 15 1HG GLU 15 12.203 -4.913 -0.270 118 H ILE 16 H ILE 16 7.587 -5.888 1.011 119 HA ILE 16 HA ILE 16 7.266 -3.427 2.411 120 HB ILE 16 HB ILE 16 5.135 -5.157 1.070 121 HG12 ILE 16 2HG1 ILE 16 6.754 -2.860 -0.153 122 HG13 ILE 16 1HG1 ILE 16 6.981 -4.572 -0.512 123 HG21 ILE 16 1HG2 ILE 16 3.840 -3.066 0.869 124 HG22 ILE 16 2HG2 ILE 16 5.108 -2.190 1.732 125 HG23 ILE 16 3HG2 ILE 16 4.184 -3.447 2.554 126 HD11 ILE 16 1HD1 ILE 16 4.485 -2.966 -1.086 127 HD12 ILE 16 2HD1 ILE 16 4.718 -4.679 -1.446 128 HD13 ILE 16 3HD1 ILE 16 5.709 -3.467 -2.252 129 H GLN 17 H GLN 17 6.265 -6.760 3.053 130 HA GLN 17 HA GLN 17 4.375 -6.254 5.107 131 HB2 GLN 17 2HB GLN 17 4.576 -8.406 3.822 132 HB3 GLN 17 1HB GLN 17 6.061 -8.763 4.698 133 HG2 GLN 17 2HG GLN 17 4.748 -8.744 6.831 134 HG3 GLN 17 1HG GLN 17 3.282 -8.489 5.886 135 HE21 GLN 17 1HE2 GLN 17 2.331 -10.396 6.576 136 HE22 GLN 17 2HE2 GLN 17 2.890 -11.957 6.087 137 H LYS 18 H LYS 18 7.841 -6.388 5.036 138 HA LYS 18 HA LYS 18 8.217 -6.431 7.927 139 HB2 LYS 18 2HB LYS 18 10.222 -5.809 5.720 140 HB3 LYS 18 1HB LYS 18 10.598 -6.246 7.391 141 HG2 LYS 18 2HG LYS 18 9.852 -8.507 7.052 142 HG3 LYS 18 1HG LYS 18 9.144 -8.107 5.480 143 HD2 LYS 18 2HD LYS 18 11.490 -7.529 4.687 144 HD3 LYS 18 1HD LYS 18 12.101 -8.195 6.205 145 HE2 LYS 18 2HE LYS 18 11.246 -10.397 5.623 146 HE3 LYS 18 1HE LYS 18 10.445 -9.755 4.187 147 HZ1 LYS 18 1HZ LYS 18 13.367 -9.954 4.671 148 HZ2 LYS 18 2HZ LYS 18 12.687 -9.123 3.370 149 HZ3 LYS 18 3HZ LYS 18 12.457 -10.793 3.513 150 H HIS 19 H HIS 19 7.057 -4.118 5.930 151 HA HIS 19 HA HIS 19 8.420 -1.843 7.230 152 HB2 HIS 19 2HB HIS 19 7.994 -2.412 4.306 153 HB3 HIS 19 1HB HIS 19 7.773 -0.744 4.819 154 HD1 HIS 19 HD1 HIS 19 10.300 -2.535 3.307 155 HD2 HIS 19 HD2 HIS 19 10.190 -0.225 6.750 156 HE1 HIS 19 HE1 HIS 19 12.660 -1.790 3.716 157 HE2 HIS 19 HE2 HIS 19 12.587 -0.578 5.912 158 H LYS 20 H LYS 20 6.768 -1.742 8.732 159 HA LYS 20 HA LYS 20 4.348 -0.308 7.795 160 HB2 LYS 20 2HB LYS 20 4.843 -1.976 10.292 161 HB3 LYS 20 1HB LYS 20 3.547 -0.795 10.231 162 HG2 LYS 20 2HG LYS 20 2.381 -2.674 9.632 163 HG3 LYS 20 1HG LYS 20 2.831 -2.077 8.043 164 HD2 LYS 20 2HD LYS 20 3.178 -4.448 8.037 165 HD3 LYS 20 1HD LYS 20 4.784 -3.708 8.071 166 HE2 LYS 20 2HE LYS 20 5.082 -4.250 10.377 167 HE3 LYS 20 1HE LYS 20 3.372 -4.605 10.602 168 HZ1 LYS 20 1HZ LYS 20 4.504 -6.644 10.518 169 HZ2 LYS 20 2HZ LYS 20 5.365 -6.217 9.135 170 HZ3 LYS 20 3HZ LYS 20 3.700 -6.499 9.035 171 H ASP 21 H ASP 21 7.018 0.766 7.957 172 HA ASP 21 HA ASP 21 7.245 2.461 10.291 173 HB2 ASP 21 2HB ASP 21 8.769 2.405 7.641 174 HB3 ASP 21 1HB ASP 21 9.210 3.402 9.032 175 H SER 22 H SER 22 6.881 4.711 10.338 176 HA SER 22 HA SER 22 4.769 5.795 8.824 177 HB2 SER 22 2HB SER 22 6.893 7.280 10.419 178 HB3 SER 22 1HB SER 22 5.315 7.915 9.953 179 HG SER 22 HG SER 22 5.021 5.576 11.234 180 H LYS 23 H LYS 23 8.165 5.643 8.187 181 HA LYS 23 HA LYS 23 8.020 7.569 5.953 182 HB2 LYS 23 2HB LYS 23 10.608 7.351 6.068 183 HB3 LYS 23 1HB LYS 23 9.780 8.259 7.313 184 HG2 LYS 23 2HG LYS 23 11.469 7.011 8.404 185 HG3 LYS 23 1HG LYS 23 9.940 6.251 8.821 186 HD2 LYS 23 2HD LYS 23 10.368 4.354 7.481 187 HD3 LYS 23 1HD LYS 23 11.617 5.167 6.546 188 HE2 LYS 23 2HE LYS 23 12.612 3.537 8.071 189 HE3 LYS 23 1HE LYS 23 13.105 5.170 8.510 190 HZ1 LYS 23 1HZ LYS 23 12.555 3.901 10.462 191 HZ2 LYS 23 2HZ LYS 23 11.013 3.548 9.872 192 HZ3 LYS 23 3HZ LYS 23 11.417 5.139 10.277 193 H SER 24 H SER 24 8.282 4.156 6.589 194 HA SER 24 HA SER 24 8.489 3.663 3.678 195 HB2 SER 24 2HB SER 24 10.068 2.144 5.794 196 HB3 SER 24 1HB SER 24 10.017 1.759 4.069 197 HG SER 24 HG SER 24 10.685 4.205 4.033 198 H THR 25 H THR 25 6.387 3.092 3.378 199 HA THR 25 HA THR 25 5.473 0.496 4.260 200 HB THR 25 HB THR 25 3.812 2.960 5.016 201 HG1 THR 25 HG1 THR 25 5.613 1.931 6.439 202 HG21 THR 25 1HG2 THR 25 3.116 0.020 5.336 203 HG22 THR 25 2HG2 THR 25 2.378 1.123 4.175 204 HG23 THR 25 3HG2 THR 25 2.148 1.384 5.905 205 H TRP 26 H TRP 26 4.174 -0.396 2.676 206 HA TRP 26 HA TRP 26 2.890 1.318 0.646 207 HB2 TRP 26 2HB TRP 26 4.665 -1.068 -0.099 208 HB3 TRP 26 1HB TRP 26 3.783 -0.040 -1.224 209 HD1 TRP 26 HD TRP 26 4.834 2.408 -1.730 210 HE1 TRP 26 HE1 TRP 26 7.165 3.407 -1.325 211 HE3 TRP 26 HE3 TRP 26 6.729 -1.152 1.444 212 HZ2 TRP 26 HZ2 TRP 26 9.501 2.786 0.126 213 HZ3 TRP 26 HZ3 TRP 26 9.030 -0.874 2.288 214 HH2 TRP 26 HH TRP 26 10.388 1.056 1.639 215 H VAL 27 H VAL 27 1.316 0.035 -0.672 216 HA VAL 27 HA VAL 27 0.272 -2.447 0.536 217 HB VAL 27 HB VAL 27 -2.104 -1.491 0.427 218 HG11 VAL 27 1HG1 VAL 27 -2.031 -0.394 2.641 219 HG12 VAL 27 2HG1 VAL 27 -0.271 -0.313 2.531 220 HG13 VAL 27 3HG1 VAL 27 -1.079 -1.881 2.592 221 HG21 VAL 27 1HG2 VAL 27 -2.387 0.963 0.545 222 HG22 VAL 27 2HG2 VAL 27 -1.625 0.484 -0.973 223 HG23 VAL 27 3HG2 VAL 27 -0.648 1.183 0.322 224 H ILE 28 H ILE 28 -1.225 -3.596 -0.897 225 HA ILE 28 HA ILE 28 -0.938 -2.787 -3.745 226 HB ILE 28 HB ILE 28 -0.500 -5.098 -4.383 227 HG12 ILE 28 2HG1 ILE 28 0.149 -6.651 -2.182 228 HG13 ILE 28 1HG1 ILE 28 -1.209 -5.756 -1.519 229 HG21 ILE 28 1HG2 ILE 28 1.418 -3.723 -3.862 230 HG22 ILE 28 2HG2 ILE 28 1.736 -5.356 -3.288 231 HG23 ILE 28 3HG2 ILE 28 1.289 -4.098 -2.143 232 HD11 ILE 28 1HD1 ILE 28 -1.268 -7.479 -4.000 233 HD12 ILE 28 2HD1 ILE 28 -2.637 -6.611 -3.298 234 HD13 ILE 28 3HD1 ILE 28 -1.871 -7.917 -2.399 235 H LEU 29 H LEU 29 -2.614 -2.980 -5.057 236 HA LEU 29 HA LEU 29 -5.260 -3.459 -3.990 237 HB2 LEU 29 2HB LEU 29 -4.141 -2.495 -6.628 238 HB3 LEU 29 1HB LEU 29 -5.795 -3.063 -6.591 239 HG LEU 29 HG LEU 29 -5.555 -0.560 -6.414 240 HD11 LEU 29 1HD1 LEU 29 -6.900 -1.852 -4.034 241 HD12 LEU 29 2HD1 LEU 29 -7.590 -1.675 -5.649 242 HD13 LEU 29 3HD1 LEU 29 -7.230 -0.245 -4.687 243 HD21 LEU 29 1HD2 LEU 29 -3.527 -0.502 -4.989 244 HD22 LEU 29 2HD2 LEU 29 -4.481 -1.071 -3.623 245 HD23 LEU 29 3HD2 LEU 29 -4.832 0.495 -4.357 246 H HIS 30 H HIS 30 -2.973 -5.120 -6.062 247 HA HIS 30 HA HIS 30 -4.047 -7.702 -5.694 248 HB2 HIS 30 2HB HIS 30 -5.812 -6.943 -7.252 249 HB3 HIS 30 1HB HIS 30 -4.602 -6.439 -8.420 250 HD1 HIS 30 HD1 HIS 30 -3.995 -8.141 -10.149 251 HD2 HIS 30 HD2 HIS 30 -5.903 -9.843 -6.879 252 HE1 HIS 30 HE1 HIS 30 -4.366 -10.547 -10.762 253 HE2 HIS 30 HE2 HIS 30 -5.733 -11.479 -8.861 254 H HIS 31 H HIS 31 -2.609 -6.164 -8.580 255 HA HIS 31 HA HIS 31 -0.156 -7.819 -8.287 256 HB2 HIS 31 2HB HIS 31 -1.402 -8.426 -10.302 257 HB3 HIS 31 1HB HIS 31 -1.547 -6.745 -10.787 258 HD1 HIS 31 HD1 HIS 31 0.905 -9.602 -10.730 259 HD2 HIS 31 HD2 HIS 31 0.688 -5.715 -12.163 260 HE1 HIS 31 HE1 HIS 31 2.898 -9.307 -12.229 261 HE2 HIS 31 HE2 HIS 31 2.842 -6.888 -12.896 262 H LYS 32 H LYS 32 -1.340 -4.647 -8.100 263 HA LYS 32 HA LYS 32 1.227 -3.419 -8.970 264 HB2 LYS 32 2HB LYS 32 -0.883 -2.955 -10.315 265 HB3 LYS 32 1HB LYS 32 -1.539 -2.138 -8.900 266 HG2 LYS 32 2HG LYS 32 0.261 -0.480 -9.000 267 HG3 LYS 32 1HG LYS 32 0.986 -1.324 -10.372 268 HD2 LYS 32 2HD LYS 32 -1.758 0.001 -10.340 269 HD3 LYS 32 1HD LYS 32 -0.312 0.657 -11.098 270 HE2 LYS 32 2HE LYS 32 -0.275 -1.322 -12.635 271 HE3 LYS 32 1HE LYS 32 -1.790 -1.869 -11.915 272 HZ1 LYS 32 1HZ LYS 32 -2.166 -0.677 -13.967 273 HZ2 LYS 32 2HZ LYS 32 -1.393 0.701 -13.356 274 HZ3 LYS 32 3HZ LYS 32 -2.837 0.169 -12.664 275 H VAL 33 H VAL 33 2.155 -1.809 -7.636 276 HA VAL 33 HA VAL 33 1.242 -1.895 -4.815 277 HB VAL 33 HB VAL 33 3.481 -2.970 -5.215 278 HG11 VAL 33 1HG1 VAL 33 4.434 -0.187 -5.986 279 HG12 VAL 33 2HG1 VAL 33 4.280 -1.566 -7.073 280 HG13 VAL 33 3HG1 VAL 33 5.453 -1.611 -5.759 281 HG21 VAL 33 1HG2 VAL 33 2.966 -2.022 -3.011 282 HG22 VAL 33 2HG2 VAL 33 3.582 -0.447 -3.515 283 HG23 VAL 33 3HG2 VAL 33 4.681 -1.824 -3.380 284 H TYR 34 H TYR 34 1.088 -0.045 -3.664 285 HA TYR 34 HA TYR 34 1.385 2.571 -4.990 286 HB2 TYR 34 2HB TYR 34 -1.043 1.549 -3.436 287 HB3 TYR 34 1HB TYR 34 -0.795 3.241 -3.872 288 HD1 TYR 34 HD1 TYR 34 -1.359 4.031 -6.049 289 HD2 TYR 34 HD2 TYR 34 -1.298 -0.172 -5.326 290 HE1 TYR 34 HE1 TYR 34 -2.441 3.638 -8.210 291 HE2 TYR 34 HE2 TYR 34 -2.383 -0.561 -7.490 292 HH TYR 34 HH TYR 34 -2.684 1.861 -9.865 293 H ASP 35 H ASP 35 1.939 4.240 -3.649 294 HA ASP 35 HA ASP 35 3.446 3.575 -1.336 295 HB2 ASP 35 2HB ASP 35 4.040 5.436 -2.923 296 HB3 ASP 35 1HB ASP 35 2.657 6.348 -2.316 297 H LEU 36 H LEU 36 2.795 3.442 0.701 298 HA LEU 36 HA LEU 36 0.143 4.503 1.498 299 HB2 LEU 36 2HB LEU 36 0.725 1.978 1.578 300 HB3 LEU 36 1HB LEU 36 1.763 2.367 2.930 301 HG LEU 36 HG LEU 36 -0.485 1.385 3.538 302 HD11 LEU 36 1HD1 LEU 36 -0.974 2.758 5.414 303 HD12 LEU 36 2HD1 LEU 36 -0.119 4.127 4.710 304 HD13 LEU 36 3HD1 LEU 36 0.771 2.685 5.197 305 HD21 LEU 36 1HD2 LEU 36 -1.838 2.466 1.821 306 HD22 LEU 36 2HD2 LEU 36 -1.611 4.028 2.609 307 HD23 LEU 36 3HD2 LEU 36 -2.495 2.738 3.430 308 H THR 37 H THR 37 3.567 4.751 2.022 309 HA THR 37 HA THR 37 3.886 5.737 4.575 310 HB THR 37 HB THR 37 5.316 6.415 1.981 311 HG1 THR 37 HG1 THR 37 5.964 4.850 4.265 312 HG21 THR 37 1HG2 THR 37 7.136 7.453 3.320 313 HG22 THR 37 2HG2 THR 37 6.110 7.378 4.753 314 HG23 THR 37 3HG2 THR 37 5.645 8.396 3.387 315 H LYS 38 H LYS 38 3.095 7.616 1.668 316 HA LYS 38 HA LYS 38 2.828 10.096 3.156 317 HB2 LYS 38 2HB LYS 38 3.887 9.975 0.877 318 HB3 LYS 38 1HB LYS 38 2.337 9.523 0.210 319 HG2 LYS 38 2HG LYS 38 2.678 11.826 -0.294 320 HG3 LYS 38 1HG LYS 38 1.424 11.750 0.939 321 HD2 LYS 38 2HD LYS 38 4.328 12.278 1.661 322 HD3 LYS 38 1HD LYS 38 3.265 13.576 1.133 323 HE2 LYS 38 2HE LYS 38 2.810 11.818 3.570 324 HE3 LYS 38 1HE LYS 38 3.412 13.466 3.594 325 HZ1 LYS 38 1HZ LYS 38 0.721 12.596 2.671 326 HZ2 LYS 38 2HZ LYS 38 1.297 14.181 2.603 327 HZ3 LYS 38 3HZ LYS 38 1.075 13.434 4.100 328 H PHE 39 H PHE 39 0.829 7.469 2.375 329 HA PHE 39 HA PHE 39 -1.683 8.939 2.304 330 HB2 PHE 39 2HB PHE 39 -1.272 6.952 0.816 331 HB3 PHE 39 1HB PHE 39 -1.212 5.928 2.245 332 HD1 PHE 39 HD1 PHE 39 -3.451 8.307 0.406 333 HD2 PHE 39 HD2 PHE 39 -3.244 4.996 3.111 334 HE1 PHE 39 HE1 PHE 39 -5.892 8.051 0.305 335 HE2 PHE 39 HE2 PHE 39 -5.678 4.752 2.994 336 HZ PHE 39 HZ PHE 39 -7.002 6.275 1.596 337 H LEU 40 H LEU 40 0.266 7.147 4.647 338 HA LEU 40 HA LEU 40 -1.859 7.079 6.623 339 HB2 LEU 40 2HB LEU 40 -0.214 6.127 8.159 340 HB3 LEU 40 1HB LEU 40 -0.242 5.273 6.636 341 HG LEU 40 HG LEU 40 1.911 6.714 6.079 342 HD11 LEU 40 1HD1 LEU 40 1.837 8.204 8.010 343 HD12 LEU 40 2HD1 LEU 40 3.312 7.242 8.023 344 HD13 LEU 40 3HD1 LEU 40 1.980 6.827 9.106 345 HD21 LEU 40 1HD2 LEU 40 3.367 4.977 7.060 346 HD22 LEU 40 2HD2 LEU 40 1.946 4.283 6.283 347 HD23 LEU 40 3HD2 LEU 40 2.013 4.404 8.044 348 H GLU 41 H GLU 41 0.767 9.132 5.663 349 HA GLU 41 HA GLU 41 0.337 11.062 7.788 350 HB2 GLU 41 2HB GLU 41 2.137 11.000 5.349 351 HB3 GLU 41 1HB GLU 41 1.989 12.438 6.358 352 HG2 GLU 41 2HG GLU 41 2.951 9.708 7.268 353 HG3 GLU 41 1HG GLU 41 3.962 11.120 6.959 354 H GLU 42 H GLU 42 -1.279 10.297 4.931 355 HA GLU 42 HA GLU 42 -2.247 12.883 4.189 356 HB2 GLU 42 2HB GLU 42 -2.367 10.772 2.760 357 HB3 GLU 42 1HB GLU 42 -3.627 10.185 3.827 358 HG2 GLU 42 2HG GLU 42 -4.643 11.067 1.835 359 HG3 GLU 42 1HG GLU 42 -5.051 12.116 3.189 360 H PHE 43 H PHE 43 -3.110 10.437 6.567 361 HA PHE 43 HA PHE 43 -5.280 12.072 7.714 362 HB2 PHE 43 2HB PHE 43 -4.285 9.376 8.759 363 HB3 PHE 43 1HB PHE 43 -5.852 10.132 9.031 364 HD1 PHE 43 HD1 PHE 43 -4.178 7.628 7.178 365 HD2 PHE 43 HD2 PHE 43 -7.250 10.588 6.797 366 HE1 PHE 43 HE1 PHE 43 -5.074 6.470 5.212 367 HE2 PHE 43 HE2 PHE 43 -8.137 9.405 4.841 368 HZ PHE 43 HZ PHE 43 -7.053 7.350 4.055 369 HA PRO 44 HA PRO 44 -2.479 13.769 10.854 370 HB2 PRO 44 2HB PRO 44 -4.155 13.953 13.066 371 HB3 PRO 44 1HB PRO 44 -4.192 15.097 11.704 372 HG2 PRO 44 2HG PRO 44 -5.973 12.727 12.230 373 HG3 PRO 44 1HG PRO 44 -6.408 14.350 11.650 374 HD2 PRO 44 2HD PRO 44 -6.206 12.256 9.953 375 HD3 PRO 44 1HD PRO 44 -5.742 13.899 9.455 376 H GLY 45 H GLY 45 -1.107 11.917 10.898 377 HA2 GLY 45 2HA GLY 45 0.001 10.114 11.759 378 HA3 GLY 45 1HA GLY 45 -0.697 10.558 13.310 379 H GLY 46 H GLY 46 -2.012 9.296 10.235 380 HA2 GLY 46 2HA GLY 46 -3.964 7.671 11.731 381 HA3 GLY 46 1HA GLY 46 -4.048 8.129 10.038 382 H GLU 47 H GLU 47 -1.212 6.791 11.578 383 HA GLU 47 HA GLU 47 -0.842 4.787 9.602 384 HB2 GLU 47 2HB GLU 47 1.040 5.873 10.770 385 HB3 GLU 47 1HB GLU 47 0.508 5.176 12.295 386 HG2 GLU 47 2HG GLU 47 0.814 2.877 11.009 387 HG3 GLU 47 1HG GLU 47 1.813 3.833 9.925 388 H GLU 48 H GLU 48 -2.046 4.763 12.929 389 HA GLU 48 HA GLU 48 -1.781 2.070 13.565 390 HB2 GLU 48 2HB GLU 48 -3.469 2.546 15.361 391 HB3 GLU 48 1HB GLU 48 -2.158 3.719 15.272 392 HG2 GLU 48 2HG GLU 48 -3.679 5.242 13.981 393 HG3 GLU 48 1HG GLU 48 -4.997 4.099 14.259 394 H VAL 49 H VAL 49 -4.329 3.597 11.685 395 HA VAL 49 HA VAL 49 -6.224 1.440 12.108 396 HB VAL 49 HB VAL 49 -6.915 3.846 12.000 397 HG11 VAL 49 1HG1 VAL 49 -7.140 5.000 9.830 398 HG12 VAL 49 2HG1 VAL 49 -6.296 3.671 9.033 399 HG13 VAL 49 3HG1 VAL 49 -5.452 4.663 10.220 400 HG21 VAL 49 1HG2 VAL 49 -8.962 3.485 10.657 401 HG22 VAL 49 2HG2 VAL 49 -8.589 2.088 11.667 402 HG23 VAL 49 3HG2 VAL 49 -8.238 2.046 9.936 403 H LEU 50 H LEU 50 -3.806 2.219 9.692 404 HA LEU 50 HA LEU 50 -5.058 0.342 7.757 405 HB2 LEU 50 2HB LEU 50 -3.772 1.746 5.982 406 HB3 LEU 50 1HB LEU 50 -5.267 2.355 6.651 407 HG LEU 50 HG LEU 50 -4.064 3.970 8.049 408 HD11 LEU 50 1HD1 LEU 50 -2.045 2.736 8.554 409 HD12 LEU 50 2HD1 LEU 50 -1.647 4.306 7.875 410 HD13 LEU 50 3HD1 LEU 50 -1.513 2.855 6.881 411 HD21 LEU 50 1HD2 LEU 50 -3.104 4.060 5.170 412 HD22 LEU 50 2HD2 LEU 50 -3.160 5.423 6.294 413 HD23 LEU 50 3HD2 LEU 50 -4.656 4.653 5.774 414 H ARG 51 H ARG 51 -2.111 0.934 9.530 415 HA ARG 51 HA ARG 51 -0.402 -0.407 7.626 416 HB2 ARG 51 2HB ARG 51 1.411 0.220 8.855 417 HB3 ARG 51 1HB ARG 51 0.264 1.400 9.449 418 HG2 ARG 51 2HG ARG 51 1.062 -1.151 10.911 419 HG3 ARG 51 1HG ARG 51 1.768 0.437 11.195 420 HD2 ARG 51 2HD ARG 51 -0.925 0.946 11.558 421 HD3 ARG 51 1HD ARG 51 -0.791 -0.703 12.157 422 HE ARG 51 HE ARG 51 1.024 1.417 13.118 423 HH11 ARG 51 1HH1 ARG 51 -1.410 -1.014 13.882 424 HH12 ARG 51 2HH1 ARG 51 -1.211 -0.829 15.589 425 HH21 ARG 51 1HH2 ARG 51 1.193 1.677 15.344 426 HH22 ARG 51 2HH2 ARG 51 0.259 0.693 16.418 427 H GLU 52 H GLU 52 -2.643 -1.549 9.761 428 HA GLU 52 HA GLU 52 -1.549 -4.049 10.548 429 HB2 GLU 52 2HB GLU 52 -4.480 -3.374 10.033 430 HB3 GLU 52 1HB GLU 52 -3.851 -4.657 11.072 431 HG2 GLU 52 2HG GLU 52 -3.537 -1.666 11.563 432 HG3 GLU 52 1HG GLU 52 -4.734 -2.709 12.335 433 H GLN 53 H GLN 53 -3.168 -2.870 7.641 434 HA GLN 53 HA GLN 53 -3.111 -5.508 6.332 435 HB2 GLN 53 2HB GLN 53 -4.338 -2.885 5.385 436 HB3 GLN 53 1HB GLN 53 -4.457 -4.425 4.551 437 HG2 GLN 53 2HG GLN 53 -6.538 -4.078 5.626 438 HG3 GLN 53 1HG GLN 53 -5.699 -5.314 6.564 439 HE21 GLN 53 1HE2 GLN 53 -7.114 -4.821 8.314 440 HE22 GLN 53 2HE2 GLN 53 -6.894 -3.416 9.292 441 H ALA 54 H ALA 54 -0.967 -3.036 6.734 442 HA ALA 54 HA ALA 54 -0.028 -2.505 4.101 443 HB1 ALA 54 1HB ALA 54 0.510 -1.033 5.979 444 HB2 ALA 54 2HB ALA 54 1.988 -1.617 5.212 445 HB3 ALA 54 3HB ALA 54 1.451 -2.315 6.743 446 H GLY 55 H GLY 55 1.585 -3.491 2.879 447 HA2 GLY 55 2HA GLY 55 2.762 -5.268 2.032 448 HA3 GLY 55 1HA GLY 55 3.131 -5.730 3.681 449 H GLY 56 H GLY 56 -0.109 -5.508 2.252 450 HA2 GLY 56 2HA GLY 56 -0.335 -8.330 1.669 451 HA3 GLY 56 1HA GLY 56 -1.179 -7.856 3.139 452 H ASP 57 H ASP 57 -2.485 -5.646 2.692 453 HA ASP 57 HA ASP 57 -4.183 -6.116 0.315 454 HB2 ASP 57 2HB ASP 57 -5.219 -7.134 2.346 455 HB3 ASP 57 1HB ASP 57 -5.116 -5.576 3.181 456 H ALA 58 H ALA 58 -5.351 -4.370 -0.457 457 HA ALA 58 HA ALA 58 -5.317 -1.759 0.805 458 HB1 ALA 58 1HB ALA 58 -3.271 -1.741 -0.632 459 HB2 ALA 58 2HB ALA 58 -4.458 -0.532 -1.105 460 HB3 ALA 58 3HB ALA 58 -4.288 -2.022 -2.038 461 H THR 59 H THR 59 -6.428 -4.018 -1.598 462 HA THR 59 HA THR 59 -8.277 -2.483 -3.009 463 HB THR 59 HB THR 59 -7.606 -4.578 -3.926 464 HG1 THR 59 HG1 THR 59 -10.032 -3.855 -3.930 465 HG21 THR 59 1HG2 THR 59 -8.166 -6.765 -2.970 466 HG22 THR 59 2HG2 THR 59 -8.880 -5.984 -1.555 467 HG23 THR 59 3HG2 THR 59 -7.146 -5.835 -1.869 468 H GLU 60 H GLU 60 -8.638 -4.021 0.148 469 HA GLU 60 HA GLU 60 -11.364 -2.902 0.382 470 HB2 GLU 60 2HB GLU 60 -9.756 -4.608 2.333 471 HB3 GLU 60 1HB GLU 60 -11.426 -4.081 2.564 472 HG2 GLU 60 2HG GLU 60 -10.404 -5.965 0.400 473 HG3 GLU 60 1HG GLU 60 -11.317 -6.423 1.835 474 H ASN 61 H ASN 61 -8.136 -2.736 1.874 475 HA ASN 61 HA ASN 61 -8.860 -1.105 4.068 476 HB2 ASN 61 2HB ASN 61 -6.988 -2.673 4.152 477 HB3 ASN 61 1HB ASN 61 -6.132 -1.765 2.910 478 HD21 ASN 61 1HD2 ASN 61 -4.436 -0.914 3.914 479 HD22 ASN 61 2HD2 ASN 61 -4.467 -0.030 5.384 480 H PHE 62 H PHE 62 -6.883 -0.281 1.179 481 HA PHE 62 HA PHE 62 -6.116 2.315 1.842 482 HB2 PHE 62 2HB PHE 62 -5.201 0.885 -0.024 483 HB3 PHE 62 1HB PHE 62 -6.653 1.194 -0.950 484 HD1 PHE 62 HD1 PHE 62 -3.470 2.623 0.270 485 HD2 PHE 62 HD2 PHE 62 -6.949 3.355 -2.127 486 HE1 PHE 62 HE1 PHE 62 -2.347 4.535 -0.794 487 HE2 PHE 62 HE2 PHE 62 -5.815 5.268 -3.171 488 HZ PHE 62 HZ PHE 62 -3.517 5.857 -2.514 489 H GLU 63 H GLU 63 -9.124 1.147 0.489 490 HA GLU 63 HA GLU 63 -10.190 3.853 0.024 491 HB2 GLU 63 2HB GLU 63 -10.406 1.964 -1.681 492 HB3 GLU 63 1HB GLU 63 -11.500 1.164 -0.551 493 HG2 GLU 63 2HG GLU 63 -13.060 3.059 -0.709 494 HG3 GLU 63 1HG GLU 63 -11.949 3.903 -1.778 495 H ASP 64 H ASP 64 -10.336 1.277 2.354 496 HA ASP 64 HA ASP 64 -12.902 1.838 3.540 497 HB2 ASP 64 2HB ASP 64 -11.979 -0.378 3.820 498 HB3 ASP 64 1HB ASP 64 -10.466 0.246 4.452 499 H VAL 65 H VAL 65 -9.565 2.329 4.678 500 HA VAL 65 HA VAL 65 -10.269 4.077 6.849 501 HB VAL 65 HB VAL 65 -7.852 4.350 7.180 502 HG11 VAL 65 1HG1 VAL 65 -8.546 1.476 6.455 503 HG12 VAL 65 2HG1 VAL 65 -8.883 2.272 7.996 504 HG13 VAL 65 3HG1 VAL 65 -7.214 1.988 7.501 505 HG21 VAL 65 1HG2 VAL 65 -7.503 2.921 4.502 506 HG22 VAL 65 2HG2 VAL 65 -6.202 3.334 5.616 507 HG23 VAL 65 3HG2 VAL 65 -7.124 4.614 4.836 508 H GLY 66 H GLY 66 -9.743 4.511 3.514 509 HA2 GLY 66 2HA GLY 66 -8.528 7.063 3.449 510 HA3 GLY 66 1HA GLY 66 -9.296 6.227 2.120 511 H PHE 67 H PHE 67 -9.381 8.995 2.547 512 HA PHE 67 HA PHE 67 -11.897 9.888 3.498 513 HB2 PHE 67 2HB PHE 67 -10.159 11.095 1.300 514 HB3 PHE 67 1HB PHE 67 -11.485 11.914 2.111 515 HD1 PHE 67 HD1 PHE 67 -11.226 11.953 4.822 516 HD2 PHE 67 HD2 PHE 67 -7.996 11.627 2.026 517 HE1 PHE 67 HE1 PHE 67 -9.667 12.859 6.498 518 HE2 PHE 67 HE2 PHE 67 -6.459 12.526 3.713 519 HZ PHE 67 HZ PHE 67 -7.277 13.138 5.942 520 H SER 68 H SER 68 -13.736 10.553 2.222 521 HA SER 68 HA SER 68 -14.940 8.455 0.923 522 HB2 SER 68 2HB SER 68 -15.659 11.412 0.680 523 HB3 SER 68 1HB SER 68 -16.754 10.052 0.396 524 HG SER 68 HG SER 68 -16.830 11.082 2.537 525 H THR 69 H THR 69 -13.794 11.438 -0.683 526 HA THR 69 HA THR 69 -14.058 10.211 -3.343 527 HB THR 69 HB THR 69 -13.465 13.111 -2.615 528 HG1 THR 69 HG1 THR 69 -15.855 11.657 -2.708 529 HG21 THR 69 1HG2 THR 69 -14.320 13.622 -4.877 530 HG22 THR 69 2HG2 THR 69 -14.573 11.903 -5.174 531 HG23 THR 69 3HG2 THR 69 -12.935 12.528 -4.972 532 H ASP 70 H ASP 70 -11.689 11.868 -1.250 533 HA ASP 70 HA ASP 70 -9.613 12.307 -3.049 534 HB2 ASP 70 2HB ASP 70 -9.508 11.890 -0.030 535 HB3 ASP 70 1HB ASP 70 -8.101 12.370 -0.967 536 H ALA 71 H ALA 71 -9.724 9.636 -0.661 537 HA ALA 71 HA ALA 71 -7.297 8.432 -1.164 538 HB1 ALA 71 1HB ALA 71 -8.760 7.859 0.724 539 HB2 ALA 71 2HB ALA 71 -8.232 6.414 -0.136 540 HB3 ALA 71 3HB ALA 71 -9.870 7.030 -0.374 541 H ARG 72 H ARG 72 -10.348 7.890 -2.804 542 HA ARG 72 HA ARG 72 -9.646 5.529 -4.211 543 HB2 ARG 72 2HB ARG 72 -11.835 7.523 -4.943 544 HB3 ARG 72 1HB ARG 72 -11.763 5.804 -5.351 545 HG2 ARG 72 2HG ARG 72 -11.921 5.283 -2.896 546 HG3 ARG 72 1HG ARG 72 -12.151 7.007 -2.588 547 HD2 ARG 72 2HD ARG 72 -14.313 5.950 -2.598 548 HD3 ARG 72 1HD ARG 72 -14.183 6.925 -4.064 549 HE ARG 72 HE ARG 72 -13.403 4.186 -4.474 550 HH11 ARG 72 1HH1 ARG 72 -16.201 6.318 -4.352 551 HH12 ARG 72 2HH1 ARG 72 -17.189 5.266 -5.316 552 HH21 ARG 72 1HH2 ARG 72 -14.736 2.797 -5.651 553 HH22 ARG 72 2HH2 ARG 72 -16.351 3.265 -6.051 554 H GLU 73 H GLU 73 -9.950 8.952 -5.206 555 HA GLU 73 HA GLU 73 -8.942 8.473 -7.868 556 HB2 GLU 73 2HB GLU 73 -9.210 10.840 -8.237 557 HB3 GLU 73 1HB GLU 73 -10.621 10.252 -7.364 558 HG2 GLU 73 2HG GLU 73 -9.811 11.223 -5.285 559 HG3 GLU 73 1HG GLU 73 -8.288 11.680 -6.048 560 H LEU 74 H LEU 74 -7.463 8.952 -4.842 561 HA LEU 74 HA LEU 74 -5.037 10.215 -5.786 562 HB2 LEU 74 2HB LEU 74 -6.206 9.495 -3.168 563 HB3 LEU 74 1HB LEU 74 -4.475 9.258 -3.223 564 HG LEU 74 HG LEU 74 -4.076 11.594 -3.715 565 HD11 LEU 74 1HD1 LEU 74 -5.959 12.091 -5.192 566 HD12 LEU 74 2HD1 LEU 74 -5.860 13.273 -3.893 567 HD13 LEU 74 3HD1 LEU 74 -7.080 11.998 -3.831 568 HD21 LEU 74 1HD2 LEU 74 -4.384 10.948 -1.369 569 HD22 LEU 74 2HD2 LEU 74 -6.107 11.336 -1.479 570 HD23 LEU 74 3HD2 LEU 74 -4.895 12.611 -1.655 571 H SER 75 H SER 75 -6.198 7.068 -5.967 572 HA SER 75 HA SER 75 -3.905 5.505 -5.465 573 HB2 SER 75 2HB SER 75 -6.070 5.011 -7.558 574 HB3 SER 75 1HB SER 75 -4.986 3.799 -6.872 575 HG SER 75 HG SER 75 -6.457 5.303 -5.047 576 H LYS 76 H LYS 76 -5.006 7.110 -8.501 577 HA LYS 76 HA LYS 76 -2.741 6.423 -10.078 578 HB2 LYS 76 2HB LYS 76 -3.513 8.231 -11.622 579 HB3 LYS 76 1HB LYS 76 -4.784 7.095 -11.195 580 HG2 LYS 76 2HG LYS 76 -6.022 8.665 -10.061 581 HG3 LYS 76 1HG LYS 76 -4.612 9.540 -9.482 582 HD2 LYS 76 2HD LYS 76 -5.352 9.689 -12.410 583 HD3 LYS 76 1HD LYS 76 -6.256 10.646 -11.236 584 HE2 LYS 76 2HE LYS 76 -4.470 12.004 -12.183 585 HE3 LYS 76 1HE LYS 76 -4.129 11.696 -10.485 586 HZ1 LYS 76 1HZ LYS 76 -2.148 11.476 -11.783 587 HZ2 LYS 76 2HZ LYS 76 -2.871 10.351 -12.809 588 HZ3 LYS 76 3HZ LYS 76 -2.572 9.952 -11.194 589 H LYS 77 H LYS 77 -2.962 8.601 -7.489 590 HA LYS 77 HA LYS 77 -0.727 10.309 -8.293 591 HB2 LYS 77 2HB LYS 77 -2.712 11.164 -6.967 592 HB3 LYS 77 1HB LYS 77 -2.212 10.155 -5.622 593 HG2 LYS 77 2HG LYS 77 -0.305 12.220 -6.725 594 HG3 LYS 77 1HG LYS 77 -1.640 12.740 -5.716 595 HD2 LYS 77 2HD LYS 77 -0.330 12.358 -3.905 596 HD3 LYS 77 1HD LYS 77 -0.462 10.634 -4.239 597 HE2 LYS 77 2HE LYS 77 1.882 11.402 -3.936 598 HE3 LYS 77 1HE LYS 77 1.603 10.674 -5.515 599 HZ1 LYS 77 1HZ LYS 77 2.941 12.677 -5.676 600 HZ2 LYS 77 2HZ LYS 77 1.713 13.596 -4.972 601 HZ3 LYS 77 3HZ LYS 77 1.474 12.889 -6.485 602 H TYR 78 H TYR 78 -1.465 7.650 -6.041 603 HA TYR 78 HA TYR 78 1.252 7.629 -4.960 604 HB2 TYR 78 2HB TYR 78 -1.273 6.081 -4.226 605 HB3 TYR 78 1HB TYR 78 0.282 5.792 -3.455 606 HD1 TYR 78 HD1 TYR 78 -2.747 7.589 -3.118 607 HD2 TYR 78 HD2 TYR 78 1.461 8.020 -2.499 608 HE1 TYR 78 HE1 TYR 78 -3.169 9.384 -1.506 609 HE2 TYR 78 HE2 TYR 78 1.025 9.817 -0.897 610 HH TYR 78 HH TYR 78 -2.150 10.562 0.282 611 H ILE 79 H ILE 79 0.333 6.613 -7.793 612 HA ILE 79 HA ILE 79 1.096 3.867 -7.846 613 HB ILE 79 HB ILE 79 -0.238 4.634 -9.681 614 HG12 ILE 79 2HG1 ILE 79 1.066 3.945 -11.674 615 HG13 ILE 79 1HG1 ILE 79 2.574 4.191 -10.798 616 HG21 ILE 79 1HG2 ILE 79 0.328 7.023 -9.654 617 HG22 ILE 79 2HG2 ILE 79 0.424 6.376 -11.293 618 HG23 ILE 79 3HG2 ILE 79 1.904 6.675 -10.376 619 HD11 ILE 79 1HD1 ILE 79 2.027 2.368 -9.300 620 HD12 ILE 79 2HD1 ILE 79 1.965 1.843 -10.983 621 HD13 ILE 79 3HD1 ILE 79 0.470 2.152 -10.104 622 H ILE 80 H ILE 80 2.962 3.616 -6.705 623 HA ILE 80 HA ILE 80 5.395 5.055 -7.463 624 HB ILE 80 HB ILE 80 4.803 4.716 -5.043 625 HG12 ILE 80 2HG1 ILE 80 7.462 3.396 -5.799 626 HG13 ILE 80 1HG1 ILE 80 7.173 5.134 -5.824 627 HG21 ILE 80 1HG2 ILE 80 5.135 2.531 -3.961 628 HG22 ILE 80 2HG2 ILE 80 5.439 1.782 -5.532 629 HG23 ILE 80 3HG2 ILE 80 3.847 2.457 -5.167 630 HD11 ILE 80 1HD1 ILE 80 7.067 3.363 -3.382 631 HD12 ILE 80 2HD1 ILE 80 6.767 5.104 -3.412 632 HD13 ILE 80 3HD1 ILE 80 8.362 4.477 -3.824 633 H GLY 81 H GLY 81 3.848 1.965 -7.961 634 HA2 GLY 81 2HA GLY 81 5.232 1.360 -10.269 635 HA3 GLY 81 1HA GLY 81 6.126 0.562 -8.981 636 H GLU 82 H GLU 82 5.648 -1.451 -9.936 637 HA GLU 82 HA GLU 82 2.889 -2.398 -9.401 638 HB2 GLU 82 2HB GLU 82 3.189 -4.132 -11.092 639 HB3 GLU 82 1HB GLU 82 3.406 -2.537 -11.804 640 HG2 GLU 82 2HG GLU 82 5.779 -2.826 -11.969 641 HG3 GLU 82 1HG GLU 82 5.735 -4.269 -10.961 642 H LEU 83 H LEU 83 2.718 -4.238 -8.191 643 HA LEU 83 HA LEU 83 4.933 -5.066 -6.565 644 HB2 LEU 83 2HB LEU 83 2.427 -4.895 -5.911 645 HB3 LEU 83 1HB LEU 83 2.203 -6.420 -6.742 646 HG LEU 83 HG LEU 83 2.412 -6.539 -4.216 647 HD11 LEU 83 1HD1 LEU 83 2.780 -8.527 -5.576 648 HD12 LEU 83 2HD1 LEU 83 3.727 -8.523 -4.091 649 HD13 LEU 83 3HD1 LEU 83 4.504 -8.157 -5.635 650 HD21 LEU 83 1HD2 LEU 83 5.314 -5.848 -4.709 651 HD22 LEU 83 2HD2 LEU 83 4.601 -6.342 -3.175 652 HD23 LEU 83 3HD2 LEU 83 4.116 -4.823 -3.916 653 H HIS 84 H HIS 84 5.923 -7.078 -6.584 654 HA HIS 84 HA HIS 84 6.595 -8.181 -9.079 655 HB2 HIS 84 2HB HIS 84 8.000 -8.086 -6.916 656 HB3 HIS 84 1HB HIS 84 7.076 -9.477 -6.362 657 HD1 HIS 84 HD1 HIS 84 8.448 -11.535 -6.660 658 HD2 HIS 84 HD2 HIS 84 9.106 -8.771 -9.694 659 HE1 HIS 84 HE1 HIS 84 10.147 -12.590 -8.176 660 HE2 HIS 84 HE2 HIS 84 10.503 -10.917 -10.025 661 HA PRO 85 HA PRO 85 2.887 -10.644 -9.758 662 HB2 PRO 85 2HB PRO 85 4.146 -12.610 -11.429 663 HB3 PRO 85 1HB PRO 85 3.366 -11.103 -11.958 664 HG2 PRO 85 2HG PRO 85 6.261 -11.663 -11.454 665 HG3 PRO 85 1HG PRO 85 5.508 -10.641 -12.696 666 HD2 PRO 85 2HD PRO 85 6.695 -9.529 -10.580 667 HD3 PRO 85 1HD PRO 85 5.170 -8.850 -11.197 668 H ASP 86 H ASP 86 5.825 -12.236 -8.649 669 HA ASP 86 HA ASP 86 4.560 -14.704 -7.870 670 HB2 ASP 86 2HB ASP 86 6.971 -14.477 -8.581 671 HB3 ASP 86 1HB ASP 86 7.299 -13.634 -7.079 672 H ASP 87 H ASP 87 5.476 -11.681 -6.240 673 HA ASP 87 HA ASP 87 5.316 -12.711 -3.566 674 HB2 ASP 87 2HB ASP 87 5.677 -9.945 -4.717 675 HB3 ASP 87 1HB ASP 87 5.395 -10.143 -2.997 676 H ARG 88 H ARG 88 3.030 -11.037 -5.641 677 HA ARG 88 HA ARG 88 1.107 -10.462 -3.613 678 HB2 ARG 88 2HB ARG 88 -0.433 -10.055 -5.509 679 HB3 ARG 88 1HB ARG 88 1.105 -9.239 -5.702 680 HG2 ARG 88 2HG ARG 88 0.829 -10.020 -7.843 681 HG3 ARG 88 1HG ARG 88 1.706 -11.387 -7.161 682 HD2 ARG 88 2HD ARG 88 -0.540 -12.478 -6.710 683 HD3 ARG 88 1HD ARG 88 -1.286 -11.157 -7.610 684 HE ARG 88 HE ARG 88 0.725 -12.390 -9.171 685 HH11 ARG 88 1HH1 ARG 88 -2.529 -12.998 -7.970 686 HH12 ARG 88 2HH1 ARG 88 -2.952 -14.047 -9.278 687 HH21 ARG 88 1HH2 ARG 88 0.145 -13.779 -10.882 688 HH22 ARG 88 2HH2 ARG 88 -1.428 -14.489 -10.933 689 H SER 89 H SER 89 1.893 -13.282 -5.450 690 HA SER 89 HA SER 89 -0.421 -14.844 -4.667 691 HB2 SER 89 2HB SER 89 0.782 -15.194 -6.846 692 HB3 SER 89 1HB SER 89 2.193 -15.754 -5.953 693 HG SER 89 HG SER 89 0.273 -17.208 -5.018 694 H LYS 90 H LYS 90 2.962 -14.420 -3.649 695 HA LYS 90 HA LYS 90 3.214 -16.439 -1.723 696 HB2 LYS 90 2HB LYS 90 4.450 -13.668 -1.913 697 HB3 LYS 90 1HB LYS 90 4.862 -14.764 -0.600 698 HG2 LYS 90 2HG LYS 90 5.826 -16.355 -2.148 699 HG3 LYS 90 1HG LYS 90 5.267 -15.415 -3.533 700 HD2 LYS 90 2HD LYS 90 7.686 -15.077 -3.115 701 HD3 LYS 90 1HD LYS 90 6.779 -13.576 -2.957 702 HE2 LYS 90 2HE LYS 90 6.835 -13.834 -0.477 703 HE3 LYS 90 1HE LYS 90 7.804 -15.298 -0.675 704 HZ1 LYS 90 1HZ LYS 90 8.571 -12.553 -1.521 705 HZ2 LYS 90 2HZ LYS 90 9.498 -13.947 -1.775 706 HZ3 LYS 90 3HZ LYS 90 9.198 -13.411 -0.201 707 H ILE 91 H ILE 91 2.021 -13.105 -1.415 708 HA ILE 91 HA ILE 91 0.965 -13.667 1.303 709 HB ILE 91 HB ILE 91 2.227 -11.011 0.442 710 HG12 ILE 91 2HG1 ILE 91 3.507 -13.225 2.119 711 HG13 ILE 91 1HG1 ILE 91 3.960 -12.798 0.474 712 HG21 ILE 91 1HG2 ILE 91 0.597 -10.806 2.282 713 HG22 ILE 91 2HG2 ILE 91 2.230 -10.467 2.851 714 HG23 ILE 91 3HG2 ILE 91 1.475 -12.021 3.216 715 HD11 ILE 91 1HD1 ILE 91 4.716 -10.611 1.249 716 HD12 ILE 91 2HD1 ILE 91 5.540 -11.937 2.067 717 HD13 ILE 91 3HD1 ILE 91 4.270 -11.046 2.904 718 H ALA 92 H ALA 92 -0.658 -14.102 -0.758 719 HA ALA 92 HA ALA 92 -2.347 -11.953 -1.549 720 HB1 ALA 92 1HB ALA 92 -2.376 -14.153 -2.677 721 HB2 ALA 92 2HB ALA 92 -3.989 -13.732 -2.092 722 HB3 ALA 92 3HB ALA 92 -3.005 -14.904 -1.209 723 H LYS 93 H LYS 93 -2.293 -14.157 1.175 724 HA LYS 93 HA LYS 93 -3.562 -12.313 2.975 725 HB2 LYS 93 2HB LYS 93 -5.336 -14.019 3.705 726 HB3 LYS 93 1HB LYS 93 -5.633 -13.212 2.171 727 HG2 LYS 93 2HG LYS 93 -4.792 -15.211 0.967 728 HG3 LYS 93 1HG LYS 93 -4.547 -16.026 2.515 729 HD2 LYS 93 2HD LYS 93 -6.980 -15.887 2.969 730 HD3 LYS 93 1HD LYS 93 -7.222 -15.053 1.429 731 HE2 LYS 93 2HE LYS 93 -6.350 -17.076 0.255 732 HE3 LYS 93 1HE LYS 93 -6.232 -17.900 1.810 733 HZ1 LYS 93 1HZ LYS 93 -8.736 -16.847 0.606 734 HZ2 LYS 93 2HZ LYS 93 -8.609 -17.669 2.078 735 HZ3 LYS 93 3HZ LYS 93 -8.261 -18.473 0.636 736 HA PRO 94 HA PRO 94 -0.262 -14.865 4.878 737 HB2 PRO 94 2HB PRO 94 0.658 -13.044 6.671 738 HB3 PRO 94 1HB PRO 94 0.962 -12.849 4.927 739 HG2 PRO 94 2HG PRO 94 -1.168 -11.544 6.618 740 HG3 PRO 94 1HG PRO 94 -0.069 -10.799 5.433 741 HD2 PRO 94 2HD PRO 94 -2.646 -11.495 4.811 742 HD3 PRO 94 1HD PRO 94 -1.337 -11.501 3.607 743 H SER 95 H SER 95 0.122 -15.826 6.926 744 HA SER 95 HA SER 95 -2.074 -16.219 8.720 745 HB2 SER 95 2HB SER 95 0.882 -16.935 9.043 746 HB3 SER 95 1HB SER 95 -0.448 -17.577 10.009 747 HG SER 95 HG SER 95 -1.272 -18.227 7.773 748 H GLU 96 H GLU 96 -2.662 -14.823 10.302 749 HA GLU 96 HA GLU 96 -1.410 -12.397 10.944 750 HB2 GLU 96 2HB GLU 96 -3.444 -14.028 12.519 751 HB3 GLU 96 1HB GLU 96 -2.991 -12.375 12.926 752 HG2 GLU 96 2HG GLU 96 -3.845 -11.614 10.723 753 HG3 GLU 96 1HG GLU 96 -4.341 -13.273 10.359 754 H THR 97 H THR 97 -1.130 -15.584 12.387 755 HA THR 97 HA THR 97 0.236 -14.982 14.771 756 HB THR 97 HB THR 97 -0.836 -17.186 14.321 757 HG1 THR 97 HG1 THR 97 0.706 -17.181 15.943 758 HG21 THR 97 1HG2 THR 97 0.293 -18.900 12.950 759 HG22 THR 97 2HG2 THR 97 1.521 -17.729 12.467 760 HG23 THR 97 3HG2 THR 97 -0.155 -17.513 11.953 761 H LEU 98 H LEU 98 1.324 -14.859 11.516 762 HA LEU 98 HA LEU 98 3.253 -14.643 10.403 763 HB2 LEU 98 2HB LEU 98 3.381 -12.809 12.313 764 HB3 LEU 98 1HB LEU 98 4.657 -13.818 12.957 765 HG LEU 98 HG LEU 98 4.706 -12.548 10.181 766 HD11 LEU 98 1HD1 LEU 98 4.736 -10.829 11.894 767 HD12 LEU 98 2HD1 LEU 98 6.307 -10.938 11.103 768 HD13 LEU 98 3HD1 LEU 98 6.081 -11.627 12.715 769 HD21 LEU 98 1HD2 LEU 98 6.940 -13.923 11.715 770 HD22 LEU 98 2HD2 LEU 98 7.116 -13.085 10.169 771 HD23 LEU 98 3HD2 LEU 98 6.131 -14.541 10.273
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