NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9197 | 1nin | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 2H GLU 1 -4.498 -5.670 -14.335 2 2H GLU 1 1H GLU 1 -5.755 -6.159 -15.354 3 3H GLU 1 3H GLU 1 -4.316 -7.014 -15.322 4 HA GLU 1 HA GLU 1 -3.301 -5.745 -16.777 5 1HB GLU 1 2HB GLU 1 -6.048 -4.330 -16.897 6 2HB GLU 1 1HB GLU 1 -4.820 -4.186 -18.127 7 1HG GLU 1 2HG GLU 1 -6.660 -5.881 -18.748 8 2HG GLU 1 1HG GLU 1 -5.071 -6.600 -18.766 9 H THR 2 H THR 2 -2.112 -3.515 -16.862 10 HA THR 2 HA THR 2 -1.685 -2.243 -14.377 11 HB THR 2 HB THR 2 -0.386 -2.159 -16.769 12 HG1 THR 2 HG1 THR 2 0.379 -1.252 -14.749 13 1HG2 THR 2 3HG2 THR 2 -2.099 -0.594 -17.829 14 2HG2 THR 2 2HG2 THR 2 -1.615 0.575 -16.600 15 3HG2 THR 2 1HG2 THR 2 -0.433 -0.024 -17.739 16 H TYR 3 H TYR 3 -3.479 -2.110 -13.376 17 HA TYR 3 HA TYR 3 -5.499 -0.041 -14.011 18 1HB TYR 3 2HB TYR 3 -5.089 -1.611 -11.388 19 2HB TYR 3 1HB TYR 3 -6.575 -0.832 -11.876 20 HD1 TYR 3 HD1 TYR 3 -7.295 -1.715 -14.405 21 HD2 TYR 3 HD2 TYR 3 -5.213 -3.985 -11.475 22 HE1 TYR 3 HE1 TYR 3 -8.126 -3.800 -15.420 23 HE2 TYR 3 HE2 TYR 3 -6.054 -6.043 -12.498 24 HH TYR 3 HH TYR 3 -7.971 -6.032 -15.450 25 H THR 4 H THR 4 -5.487 2.068 -13.001 26 HA THR 4 HA THR 4 -2.891 2.752 -11.705 27 HB THR 4 HB THR 4 -3.351 4.185 -13.530 28 HG1 THR 4 HG1 THR 4 -2.531 5.399 -12.111 29 1HG2 THR 4 3HG2 THR 4 -5.943 4.110 -13.441 30 2HG2 THR 4 2HG2 THR 4 -5.820 5.098 -11.985 31 3HG2 THR 4 1HG2 THR 4 -5.237 5.720 -13.517 32 H VAL 5 H VAL 5 -2.511 2.839 -9.898 33 HA VAL 5 HA VAL 5 -4.335 3.493 -7.659 34 HB VAL 5 HB VAL 5 -1.483 2.374 -7.782 35 1HG1 VAL 5 2HG1 VAL 5 -3.415 2.680 -5.414 36 2HG1 VAL 5 1HG1 VAL 5 -1.835 1.923 -5.340 37 3HG1 VAL 5 3HG1 VAL 5 -1.969 3.639 -5.656 38 1HG2 VAL 5 2HG2 VAL 5 -3.224 0.742 -8.542 39 2HG2 VAL 5 1HG2 VAL 5 -2.526 0.252 -7.008 40 3HG2 VAL 5 3HG2 VAL 5 -4.114 0.999 -7.044 41 H LYS 6 H LYS 6 -4.466 5.552 -7.592 42 HA LYS 6 HA LYS 6 -2.104 7.283 -8.111 43 1HB LYS 6 2HB LYS 6 -3.798 9.094 -8.299 44 2HB LYS 6 1HB LYS 6 -4.183 7.727 -9.320 45 1HG LYS 6 2HG LYS 6 -5.593 6.943 -7.171 46 2HG LYS 6 1HG LYS 6 -5.484 8.596 -6.719 47 1HD LYS 6 2HD LYS 6 -7.555 8.355 -7.941 48 2HD LYS 6 1HD LYS 6 -6.482 9.285 -8.940 49 1HE LYS 6 2HE LYS 6 -7.727 7.616 -10.258 50 2HE LYS 6 1HE LYS 6 -6.000 7.260 -10.341 51 1HZ LYS 6 3HZ LYS 6 -7.137 5.995 -8.072 52 2HZ LYS 6 2HZ LYS 6 -8.127 5.663 -9.255 53 3HZ LYS 6 1HZ LYS 6 -6.488 5.183 -9.376 54 H LEU 7 H LEU 7 -1.195 8.377 -6.714 55 HA LEU 7 HA LEU 7 -1.581 7.954 -3.806 56 1HB LEU 7 2HB LEU 7 0.662 9.292 -5.414 57 2HB LEU 7 1HB LEU 7 0.743 8.930 -3.712 58 HG LEU 7 HG LEU 7 0.221 6.492 -4.426 59 1HD1 LEU 7 1HD1 LEU 7 1.345 7.503 -7.061 60 2HD1 LEU 7 3HD1 LEU 7 1.197 5.821 -6.618 61 3HD1 LEU 7 2HD1 LEU 7 -0.228 6.768 -6.849 62 1HD2 LEU 7 1HD2 LEU 7 2.851 7.807 -5.154 63 2HD2 LEU 7 3HD2 LEU 7 2.377 7.262 -3.539 64 3HD2 LEU 7 2HD2 LEU 7 2.671 6.093 -4.816 65 H GLY 8 H GLY 8 -3.398 9.049 -3.749 66 1HA GLY 8 2HA GLY 8 -4.161 11.066 -2.459 67 2HA GLY 8 1HA GLY 8 -3.364 12.069 -3.682 68 H SER 9 H SER 9 -6.147 12.244 -3.172 69 HA SER 9 HA SER 9 -7.349 10.908 -5.596 70 1HB SER 9 2HB SER 9 -8.848 11.724 -3.095 71 2HB SER 9 1HB SER 9 -9.519 10.867 -4.494 72 HG SER 9 HG SER 9 -8.330 9.107 -3.972 73 H ASP 10 H ASP 10 -8.764 13.752 -3.916 74 HA ASP 10 HA ASP 10 -9.338 14.728 -6.654 75 1HB ASP 10 2HB ASP 10 -11.238 15.833 -5.475 76 2HB ASP 10 1HB ASP 10 -11.129 14.154 -5.057 77 H LYS 11 H LYS 11 -9.259 16.936 -4.012 78 HA LYS 11 HA LYS 11 -7.424 18.766 -5.497 79 1HB LYS 11 2HB LYS 11 -9.235 19.506 -3.165 80 2HB LYS 11 1HB LYS 11 -8.414 20.579 -4.257 81 1HG LYS 11 2HG LYS 11 -10.573 20.707 -5.191 82 2HG LYS 11 1HG LYS 11 -9.814 19.491 -6.176 83 1HD LYS 11 2HD LYS 11 -12.028 18.649 -5.562 84 2HD LYS 11 1HD LYS 11 -10.835 17.670 -4.770 85 1HE LYS 11 2HE LYS 11 -11.128 19.054 -2.690 86 2HE LYS 11 1HE LYS 11 -12.455 19.881 -3.504 87 1HZ LYS 11 1HZ LYS 11 -12.718 17.046 -3.827 88 2HZ LYS 11 3HZ LYS 11 -12.420 17.272 -2.287 89 3HZ LYS 11 2HZ LYS 11 -13.783 18.042 -2.953 90 H GLY 12 H GLY 12 -8.109 17.262 -2.452 91 1HA GLY 12 2HA GLY 12 -5.334 17.943 -1.416 92 2HA GLY 12 1HA GLY 12 -6.717 17.975 -0.357 93 H LEU 13 H LEU 13 -7.931 15.727 -0.629 94 HA LEU 13 HA LEU 13 -7.074 13.819 0.944 95 1HB LEU 13 2HB LEU 13 -8.399 13.617 -1.735 96 2HB LEU 13 1HB LEU 13 -8.078 12.129 -0.880 97 HG LEU 13 HG LEU 13 -9.482 12.809 0.995 98 1HD1 LEU 13 3HD1 LEU 13 -9.871 15.463 -0.474 99 2HD1 LEU 13 2HD1 LEU 13 -10.672 14.968 1.000 100 3HD1 LEU 13 1HD1 LEU 13 -8.959 15.294 1.029 101 1HD2 LEU 13 1HD2 LEU 13 -10.621 11.936 -1.057 102 2HD2 LEU 13 3HD2 LEU 13 -11.626 13.109 -0.233 103 3HD2 LEU 13 2HD2 LEU 13 -10.754 13.571 -1.670 104 H LEU 14 H LEU 14 -5.134 12.922 1.400 105 HA LEU 14 HA LEU 14 -3.302 12.042 -0.784 106 1HB LEU 14 2HB LEU 14 -2.946 12.720 2.147 107 2HB LEU 14 1HB LEU 14 -1.674 11.936 1.253 108 HG LEU 14 HG LEU 14 -3.016 14.455 0.192 109 1HD1 LEU 14 2HD1 LEU 14 -2.024 14.880 2.485 110 2HD1 LEU 14 1HD1 LEU 14 -0.505 14.200 1.932 111 3HD1 LEU 14 3HD1 LEU 14 -1.115 15.681 1.221 112 1HD2 LEU 14 1HD2 LEU 14 -1.500 12.972 -1.299 113 2HD2 LEU 14 3HD2 LEU 14 -0.805 14.560 -1.011 114 3HD2 LEU 14 2HD2 LEU 14 -0.231 13.168 -0.121 115 H VAL 15 H VAL 15 -5.189 10.241 -0.788 116 HA VAL 15 HA VAL 15 -4.195 7.904 0.815 117 HB VAL 15 HB VAL 15 -6.469 6.961 0.552 118 1HG1 VAL 15 1HG1 VAL 15 -5.994 8.468 2.470 119 2HG1 VAL 15 3HG1 VAL 15 -6.479 9.853 1.510 120 3HG1 VAL 15 2HG1 VAL 15 -7.657 8.623 1.931 121 1HG2 VAL 15 1HG2 VAL 15 -7.029 7.991 -1.672 122 2HG2 VAL 15 3HG2 VAL 15 -8.252 8.334 -0.473 123 3HG2 VAL 15 2HG2 VAL 15 -7.104 9.571 -0.928 124 H PHE 16 H PHE 16 -5.129 5.838 -0.307 125 HA PHE 16 HA PHE 16 -3.753 5.539 -2.949 126 1HB PHE 16 2HB PHE 16 -3.980 3.860 -0.500 127 2HB PHE 16 1HB PHE 16 -4.332 2.961 -1.954 128 HD1 PHE 16 HD1 PHE 16 -1.823 5.410 -0.676 129 HD2 PHE 16 HD2 PHE 16 -2.588 2.033 -3.099 130 HE1 PHE 16 HE1 PHE 16 0.598 5.203 -1.133 131 HE2 PHE 16 HE2 PHE 16 -0.185 1.811 -3.580 132 HZ PHE 16 HZ PHE 16 1.413 3.402 -2.591 133 H GLU 17 H GLU 17 -5.223 5.977 -4.460 134 HA GLU 17 HA GLU 17 -7.858 4.501 -4.401 135 1HB GLU 17 2HB GLU 17 -7.891 6.965 -4.287 136 2HB GLU 17 1HB GLU 17 -7.129 7.075 -5.841 137 1HG GLU 17 2HG GLU 17 -9.822 5.624 -5.434 138 2HG GLU 17 1HG GLU 17 -9.746 7.312 -5.846 139 HA PRO 18 HA PRO 18 -8.426 2.647 -4.745 140 1HB PRO 18 2HB PRO 18 -8.310 0.066 -5.469 141 2HB PRO 18 1HB PRO 18 -9.224 1.253 -6.416 142 1HG PRO 18 2HG PRO 18 -6.291 0.424 -6.882 143 2HG PRO 18 1HG PRO 18 -7.630 0.238 -8.025 144 1HD PRO 18 2HD PRO 18 -6.093 2.462 -8.143 145 2HD PRO 18 1HD PRO 18 -7.850 2.648 -8.303 146 H ALA 19 H ALA 19 -8.055 0.960 -3.124 147 HA ALA 19 HA ALA 19 -5.287 0.959 -2.126 148 1HB ALA 19 2HB ALA 19 -6.901 2.249 -0.800 149 2HB ALA 19 1HB ALA 19 -7.952 0.856 -0.631 150 3HB ALA 19 3HB ALA 19 -6.376 0.871 0.149 151 H LYS 20 H LYS 20 -8.076 -1.186 -2.175 152 HA LYS 20 HA LYS 20 -6.321 -3.575 -1.681 153 1HB LYS 20 2HB LYS 20 -7.882 -3.752 0.012 154 2HB LYS 20 1HB LYS 20 -8.970 -2.619 -0.719 155 1HG LYS 20 2HG LYS 20 -10.197 -4.616 -0.465 156 2HG LYS 20 1HG LYS 20 -9.890 -4.510 -2.165 157 1HD LYS 20 2HD LYS 20 -8.206 -6.237 -0.250 158 2HD LYS 20 1HD LYS 20 -9.607 -6.840 -1.099 159 1HE LYS 20 2HE LYS 20 -8.424 -6.160 -3.268 160 2HE LYS 20 1HE LYS 20 -6.976 -5.951 -2.261 161 1HZ LYS 20 3HZ LYS 20 -8.094 -8.386 -1.458 162 2HZ LYS 20 2HZ LYS 20 -8.052 -8.424 -3.139 163 3HZ LYS 20 1HZ LYS 20 -6.712 -8.148 -2.215 164 H LEU 21 H LEU 21 -5.648 -4.212 -3.625 165 HA LEU 21 HA LEU 21 -7.574 -4.490 -5.889 166 1HB LEU 21 2HB LEU 21 -5.551 -2.919 -5.975 167 2HB LEU 21 1HB LEU 21 -4.605 -4.365 -6.094 168 HG LEU 21 HG LEU 21 -6.429 -3.128 -8.158 169 1HD1 LEU 21 1HD1 LEU 21 -3.832 -4.688 -8.205 170 2HD1 LEU 21 3HD1 LEU 21 -4.560 -3.980 -9.615 171 3HD1 LEU 21 2HD1 LEU 21 -3.985 -2.953 -8.316 172 1HD2 LEU 21 1HD2 LEU 21 -5.966 -6.153 -8.206 173 2HD2 LEU 21 3HD2 LEU 21 -7.527 -5.404 -8.047 174 3HD2 LEU 21 2HD2 LEU 21 -6.616 -5.224 -9.509 175 H THR 22 H THR 22 -8.246 -6.594 -6.244 176 HA THR 22 HA THR 22 -6.207 -8.803 -5.944 177 HB THR 22 HB THR 22 -9.268 -8.924 -6.459 178 HG1 THR 22 HG1 THR 22 -7.370 -9.475 -4.372 179 1HG2 THR 22 3HG2 THR 22 -7.888 -10.941 -7.455 180 2HG2 THR 22 2HG2 THR 22 -7.310 -11.247 -5.835 181 3HG2 THR 22 1HG2 THR 22 -9.007 -11.353 -6.175 182 H ILE 23 H ILE 23 -5.037 -9.052 -7.675 183 HA ILE 23 HA ILE 23 -5.992 -8.213 -10.322 184 HB ILE 23 HB ILE 23 -3.474 -8.197 -10.867 185 1HG1 ILE 23 2HG1 ILE 23 -2.860 -8.602 -7.977 186 2HG1 ILE 23 1HG1 ILE 23 -3.279 -10.017 -8.911 187 1HG2 ILE 23 1HG2 ILE 23 -4.574 -6.207 -10.002 188 2HG2 ILE 23 3HG2 ILE 23 -4.107 -6.717 -8.375 189 3HG2 ILE 23 2HG2 ILE 23 -2.890 -6.336 -9.581 190 1HD1 ILE 23 3HD1 ILE 23 -1.177 -8.025 -9.834 191 2HD1 ILE 23 2HD1 ILE 23 -0.819 -9.525 -8.998 192 3HD1 ILE 23 1HD1 ILE 23 -1.588 -9.566 -10.560 193 H LYS 24 H LYS 24 -3.851 -9.787 -11.460 194 HA LYS 24 HA LYS 24 -5.262 -12.344 -11.375 195 1HB LYS 24 2HB LYS 24 -3.813 -10.848 -13.602 196 2HB LYS 24 1HB LYS 24 -3.891 -12.566 -13.761 197 1HG LYS 24 2HG LYS 24 -5.691 -11.292 -14.976 198 2HG LYS 24 1HG LYS 24 -6.312 -12.520 -13.888 199 1HD LYS 24 2HD LYS 24 -7.114 -10.947 -12.306 200 2HD LYS 24 1HD LYS 24 -5.981 -9.711 -12.787 201 1HE LYS 24 2HE LYS 24 -8.172 -10.593 -14.663 202 2HE LYS 24 1HE LYS 24 -8.397 -9.311 -13.466 203 1HZ LYS 24 3HZ LYS 24 -5.875 -8.899 -14.656 204 2HZ LYS 24 2HZ LYS 24 -6.916 -9.059 -15.942 205 3HZ LYS 24 1HZ LYS 24 -7.200 -7.933 -14.814 206 HA PRO 25 HA PRO 25 -1.272 -14.406 -10.247 207 1HB PRO 25 2HB PRO 25 -1.074 -16.543 -11.921 208 2HB PRO 25 1HB PRO 25 -2.277 -16.480 -10.625 209 1HG PRO 25 2HG PRO 25 -2.663 -15.554 -13.548 210 2HG PRO 25 1HG PRO 25 -3.606 -16.801 -12.711 211 1HD PRO 25 2HD PRO 25 -4.609 -14.324 -12.685 212 2HD PRO 25 1HD PRO 25 -4.517 -15.186 -11.141 213 H GLY 26 H GLY 26 -0.541 -12.190 -11.310 214 1HA GLY 26 2HA GLY 26 1.768 -11.624 -12.218 215 2HA GLY 26 1HA GLY 26 1.506 -12.824 -13.476 216 H ASP 27 H ASP 27 -0.114 -10.096 -12.127 217 HA ASP 27 HA ASP 27 -0.906 -9.101 -14.814 218 1HB ASP 27 2HB ASP 27 -2.477 -9.698 -12.764 219 2HB ASP 27 1HB ASP 27 -1.852 -8.223 -12.073 220 H THR 28 H THR 28 -1.187 -6.702 -14.731 221 HA THR 28 HA THR 28 1.330 -5.300 -14.092 222 HB THR 28 HB THR 28 -0.582 -4.534 -16.300 223 HG1 THR 28 HG1 THR 28 1.981 -5.708 -16.467 224 1HG2 THR 28 1HG2 THR 28 2.413 -4.015 -15.785 225 2HG2 THR 28 3HG2 THR 28 1.470 -3.346 -17.090 226 3HG2 THR 28 2HG2 THR 28 1.226 -2.803 -15.435 227 H VAL 29 H VAL 29 1.179 -3.550 -12.941 228 HA VAL 29 HA VAL 29 -1.399 -2.393 -12.048 229 HB VAL 29 HB VAL 29 1.026 -2.796 -10.441 230 1HG1 VAL 29 2HG1 VAL 29 -1.650 -1.427 -9.780 231 2HG1 VAL 29 1HG1 VAL 29 -0.392 -1.796 -8.617 232 3HG1 VAL 29 3HG1 VAL 29 -0.112 -0.594 -9.850 233 1HG2 VAL 29 2HG2 VAL 29 -1.878 -3.787 -10.351 234 2HG2 VAL 29 1HG2 VAL 29 -0.503 -4.770 -10.803 235 3HG2 VAL 29 3HG2 VAL 29 -0.654 -4.156 -9.161 236 H GLU 30 H GLU 30 -1.420 0.064 -11.996 237 HA GLU 30 HA GLU 30 0.983 1.420 -13.014 238 1HB GLU 30 2HB GLU 30 -1.059 1.243 -14.423 239 2HB GLU 30 1HB GLU 30 -1.880 2.255 -13.282 240 1HG GLU 30 2HG GLU 30 0.584 3.033 -14.933 241 2HG GLU 30 1HG GLU 30 -1.024 3.705 -15.067 242 H PHE 31 H PHE 31 1.875 2.937 -11.712 243 HA PHE 31 HA PHE 31 0.479 3.792 -9.183 244 1HB PHE 31 2HB PHE 31 3.451 3.568 -9.699 245 2HB PHE 31 1HB PHE 31 2.697 4.008 -8.181 246 HD1 PHE 31 HD1 PHE 31 3.007 1.272 -10.673 247 HD2 PHE 31 HD2 PHE 31 1.840 2.308 -6.723 248 HE1 PHE 31 HE1 PHE 31 2.787 -1.104 -10.125 249 HE2 PHE 31 HE2 PHE 31 1.616 -0.079 -6.161 250 HZ PHE 31 HZ PHE 31 2.090 -1.788 -7.863 251 H LEU 32 H LEU 32 -0.362 5.813 -9.650 252 HA LEU 32 HA LEU 32 1.313 7.816 -11.013 253 1HB LEU 32 2HB LEU 32 -0.740 7.145 -12.153 254 2HB LEU 32 1HB LEU 32 -1.710 7.661 -10.805 255 HG LEU 32 HG LEU 32 0.129 9.609 -12.315 256 1HD1 LEU 32 3HD1 LEU 32 -1.498 8.467 -13.896 257 2HD1 LEU 32 2HD1 LEU 32 -2.814 8.929 -12.846 258 3HD1 LEU 32 1HD1 LEU 32 -1.885 10.165 -13.682 259 1HD2 LEU 32 1HD2 LEU 32 -2.520 9.995 -10.810 260 2HD2 LEU 32 3HD2 LEU 32 -0.959 10.377 -10.129 261 3HD2 LEU 32 2HD2 LEU 32 -1.532 11.268 -11.506 262 H ASN 33 H ASN 33 2.066 9.514 -9.936 263 HA ASN 33 HA ASN 33 1.340 9.986 -7.143 264 1HB ASN 33 2HB ASN 33 3.145 11.582 -7.155 265 2HB ASN 33 1HB ASN 33 3.564 10.563 -8.534 266 1HD2 ASN 33 2HD2 ASN 33 3.125 14.292 -9.250 267 2HD2 ASN 33 1HD2 ASN 33 3.321 13.732 -7.650 268 H ASN 34 H ASN 34 -0.433 11.141 -6.342 269 HA ASN 34 HA ASN 34 -1.783 13.024 -8.304 270 1HB ASN 34 2HB ASN 34 -3.072 11.020 -7.357 271 2HB ASN 34 1HB ASN 34 -2.941 11.743 -5.780 272 1HD2 ASN 34 2HD2 ASN 34 -6.160 12.676 -7.522 273 2HD2 ASN 34 1HD2 ASN 34 -5.370 11.173 -7.402 274 H LYS 35 H LYS 35 -0.942 12.909 -4.868 275 HA LYS 35 HA LYS 35 -0.734 15.916 -4.922 276 1HB LYS 35 2HB LYS 35 -2.120 14.239 -2.766 277 2HB LYS 35 1HB LYS 35 -2.012 15.995 -2.747 278 1HG LYS 35 2HG LYS 35 -2.968 15.840 -5.150 279 2HG LYS 35 1HG LYS 35 -3.340 14.179 -4.767 280 1HD LYS 35 2HD LYS 35 -4.705 14.846 -2.866 281 2HD LYS 35 1HD LYS 35 -4.479 16.548 -3.254 282 1HE LYS 35 2HE LYS 35 -5.744 14.375 -4.984 283 2HE LYS 35 1HE LYS 35 -6.542 15.761 -4.257 284 1HZ LYS 35 1HZ LYS 35 -4.342 16.779 -5.664 285 2HZ LYS 35 3HZ LYS 35 -4.990 15.588 -6.645 286 3HZ LYS 35 2HZ LYS 35 -5.950 16.895 -6.188 287 H VAL 36 H VAL 36 -0.056 16.528 -2.451 288 HA VAL 36 HA VAL 36 2.345 17.052 -1.901 289 HB VAL 36 HB VAL 36 0.944 15.192 0.021 290 1HG1 VAL 36 2HG1 VAL 36 3.173 17.227 0.528 291 2HG1 VAL 36 1HG1 VAL 36 2.300 16.339 1.760 292 3HG1 VAL 36 3HG1 VAL 36 3.341 15.485 0.647 293 1HG2 VAL 36 2HG2 VAL 36 1.053 18.256 -0.231 294 2HG2 VAL 36 1HG2 VAL 36 -0.358 17.279 -0.611 295 3HG2 VAL 36 3HG2 VAL 36 0.222 17.383 1.036 296 HA PRO 37 HA PRO 37 4.962 13.576 -3.002 297 1HB PRO 37 2HB PRO 37 7.027 14.935 -4.038 298 2HB PRO 37 1HB PRO 37 5.430 15.068 -4.798 299 1HG PRO 37 2HG PRO 37 6.656 16.931 -2.676 300 2HG PRO 37 1HG PRO 37 6.066 17.390 -4.275 301 1HD PRO 37 2HD PRO 37 4.473 17.521 -2.026 302 2HD PRO 37 1HD PRO 37 3.789 17.146 -3.631 303 HA PRO 38 HA PRO 38 6.910 12.826 -3.721 304 1HB PRO 38 2HB PRO 38 9.362 11.842 -3.778 305 2HB PRO 38 1HB PRO 38 9.183 13.598 -3.707 306 1HG PRO 38 2HG PRO 38 9.741 11.699 -1.365 307 2HG PRO 38 1HG PRO 38 10.564 13.210 -1.759 308 1HD PRO 38 2HD PRO 38 8.362 12.983 0.061 309 2HD PRO 38 1HD PRO 38 8.895 14.505 -0.677 310 H HIS 39 HN HIP 39 6.519 10.627 -4.275 311 HA HIS 39 HA HIP 39 6.078 8.860 -1.867 312 1HB HIS 39 2HB HIP 39 4.605 8.646 -4.478 313 2HB HIS 39 1HB HIP 39 4.195 7.907 -2.958 314 HD2 HIS 39 HD2 HIP 39 3.819 11.189 -4.949 315 HE1 HIS 39 HE1 HIP 39 1.630 11.732 -1.470 316 HE2 HIS 39 HE2 HIP 39 2.170 12.605 -3.615 317 H ASN 40 H ASN 40 7.469 7.184 -1.621 318 HA ASN 40 HA ASN 40 8.378 5.630 -4.043 319 1HB ASN 40 2HB ASN 40 9.600 6.158 -1.346 320 2HB ASN 40 1HB ASN 40 10.001 4.672 -2.137 321 1HD2 ASN 40 2HD2 ASN 40 12.292 7.536 -2.985 322 2HD2 ASN 40 1HD2 ASN 40 11.612 7.005 -1.491 323 H VAL 41 H VAL 41 7.609 3.317 -4.029 324 HA VAL 41 HA VAL 41 6.058 2.664 -1.538 325 HB VAL 41 HB VAL 41 4.849 1.033 -2.835 326 1HG1 VAL 41 3HG1 VAL 41 3.921 3.306 -2.446 327 2HG1 VAL 41 2HG1 VAL 41 4.739 3.912 -3.878 328 3HG1 VAL 41 1HG1 VAL 41 3.429 2.755 -4.041 329 1HG2 VAL 41 3HG2 VAL 41 6.398 0.739 -4.820 330 2HG2 VAL 41 2HG2 VAL 41 4.824 1.250 -5.374 331 3HG2 VAL 41 1HG2 VAL 41 6.138 2.401 -5.281 332 H VAL 42 H VAL 42 7.012 1.414 -0.277 333 HA VAL 42 HA VAL 42 8.900 -0.718 -1.268 334 HB VAL 42 HB VAL 42 8.513 0.559 1.456 335 1HG1 VAL 42 2HG1 VAL 42 9.436 -1.824 1.527 336 2HG1 VAL 42 1HG1 VAL 42 10.682 -1.334 0.387 337 3HG1 VAL 42 3HG1 VAL 42 10.632 -0.637 1.999 338 1HG2 VAL 42 1HG2 VAL 42 10.709 0.848 -0.643 339 2HG2 VAL 42 3HG2 VAL 42 9.505 2.056 -0.256 340 3HG2 VAL 42 2HG2 VAL 42 10.702 1.616 0.937 341 H PHE 43 H PHE 43 8.388 -2.884 -0.682 342 HA PHE 43 HA PHE 43 5.527 -3.355 -0.014 343 1HB PHE 43 2HB PHE 43 7.545 -5.145 -1.220 344 2HB PHE 43 1HB PHE 43 6.154 -5.847 -0.483 345 HD1 PHE 43 HD2 PHE 43 5.713 -2.625 -2.271 346 HD2 PHE 43 HD1 PHE 43 5.518 -6.853 -2.492 347 HE1 PHE 43 HE2 PHE 43 4.449 -2.454 -4.382 348 HE2 PHE 43 HE1 PHE 43 4.255 -6.696 -4.588 349 HZ PHE 43 HZ PHE 43 3.716 -4.491 -5.538 350 H ASP 44 H ASP 44 4.931 -5.092 1.124 351 HA ASP 44 HA ASP 44 4.938 -5.294 3.731 352 1HB ASP 44 2HB ASP 44 4.488 -7.882 3.103 353 2HB ASP 44 1HB ASP 44 3.432 -6.612 2.520 354 H ALA 45 H ALA 45 7.677 -4.806 3.902 355 HA ALA 45 HA ALA 45 9.443 -6.941 4.221 356 1HB ALA 45 3HB ALA 45 9.959 -4.402 4.556 357 2HB ALA 45 2HB ALA 45 9.037 -4.434 6.044 358 3HB ALA 45 1HB ALA 45 10.550 -5.318 5.927 359 H ALA 46 H ALA 46 6.942 -6.018 6.255 360 HA ALA 46 HA ALA 46 7.403 -8.358 8.071 361 1HB ALA 46 2HB ALA 46 5.807 -5.797 8.488 362 2HB ALA 46 1HB ALA 46 6.004 -7.069 9.682 363 3HB ALA 46 3HB ALA 46 7.394 -6.156 9.137 364 H LEU 47 H LEU 47 4.645 -6.838 6.362 365 HA LEU 47 HA LEU 47 2.938 -9.156 6.963 366 1HB LEU 47 2HB LEU 47 2.422 -6.434 5.777 367 2HB LEU 47 1HB LEU 47 1.183 -7.643 5.871 368 HG LEU 47 HG LEU 47 1.449 -7.761 8.361 369 1HD1 LEU 47 2HD1 LEU 47 3.237 -5.317 7.931 370 2HD1 LEU 47 1HD1 LEU 47 2.614 -5.874 9.473 371 3HD1 LEU 47 3HD1 LEU 47 3.753 -6.864 8.604 372 1HD2 LEU 47 2HD2 LEU 47 0.901 -5.016 7.145 373 2HD2 LEU 47 1HD2 LEU 47 -0.252 -6.334 7.255 374 3HD2 LEU 47 3HD2 LEU 47 0.336 -5.561 8.715 375 H ASN 48 H ASN 48 4.436 -10.458 5.210 376 HA ASN 48 HA ASN 48 2.645 -10.676 2.813 377 1HB ASN 48 2HB ASN 48 4.748 -11.361 1.483 378 2HB ASN 48 1HB ASN 48 4.616 -9.705 1.956 379 1HD2 ASN 48 2HD2 ASN 48 7.909 -9.981 2.971 380 2HD2 ASN 48 1HD2 ASN 48 6.754 -9.218 1.981 381 HA PRO 49 HA PRO 49 1.573 -14.778 3.569 382 1HB PRO 49 2HB PRO 49 2.233 -16.028 1.091 383 2HB PRO 49 1HB PRO 49 0.722 -15.202 1.463 384 1HG PRO 49 2HG PRO 49 3.232 -14.024 0.143 385 2HG PRO 49 1HG PRO 49 1.555 -13.862 -0.361 386 1HD PRO 49 2HD PRO 49 2.598 -11.843 1.010 387 2HD PRO 49 1HD PRO 49 1.019 -12.441 1.567 388 H ALA 50 H ALA 50 4.659 -14.884 1.925 389 HA ALA 50 HA ALA 50 5.548 -17.106 3.748 390 1HB ALA 50 1HB ALA 50 5.690 -17.492 1.276 391 2HB ALA 50 3HB ALA 50 6.716 -16.068 1.118 392 3HB ALA 50 2HB ALA 50 7.297 -17.467 1.997 393 H LYS 51 H LYS 51 5.376 -14.753 4.933 394 HA LYS 51 HA LYS 51 6.643 -12.770 5.600 395 1HB LYS 51 2HB LYS 51 5.913 -14.335 7.325 396 2HB LYS 51 1HB LYS 51 7.442 -15.179 7.203 397 1HG LYS 51 2HG LYS 51 7.276 -13.492 9.129 398 2HG LYS 51 1HG LYS 51 8.691 -13.343 8.147 399 1HD LYS 51 2HD LYS 51 6.241 -11.672 7.395 400 2HD LYS 51 1HD LYS 51 7.128 -11.206 8.807 401 1HE LYS 51 2HE LYS 51 8.581 -10.053 7.550 402 2HE LYS 51 1HE LYS 51 9.175 -11.533 6.869 403 1HZ LYS 51 2HZ LYS 51 6.737 -10.911 5.510 404 2HZ LYS 51 1HZ LYS 51 7.672 -9.519 5.503 405 3HZ LYS 51 3HZ LYS 51 8.265 -10.905 4.859 406 H SER 52 H SER 52 8.083 -12.906 3.519 407 HA SER 52 HA SER 52 10.977 -13.155 4.336 408 1HB SER 52 2HB SER 52 11.476 -13.945 2.196 409 2HB SER 52 1HB SER 52 9.784 -14.394 2.220 410 HG SER 52 HG SER 52 10.953 -12.788 0.618 411 H ALA 53 H ALA 53 12.333 -11.617 2.907 412 HA ALA 53 HA ALA 53 11.185 -8.820 2.881 413 1HB ALA 53 2HB ALA 53 13.972 -9.765 3.808 414 2HB ALA 53 1HB ALA 53 13.446 -8.087 3.795 415 3HB ALA 53 3HB ALA 53 12.695 -9.242 4.885 416 H ASP 54 H ASP 54 13.816 -10.770 1.987 417 HA ASP 54 HA ASP 54 15.232 -9.902 -0.054 418 1HB ASP 54 2HB ASP 54 15.005 -12.509 -0.728 419 2HB ASP 54 1HB ASP 54 15.597 -12.096 0.871 420 H LEU 55 H LEU 55 12.247 -11.507 -0.716 421 HA LEU 55 HA LEU 55 12.074 -10.648 -3.517 422 1HB LEU 55 2HB LEU 55 11.501 -12.921 -2.801 423 2HB LEU 55 1HB LEU 55 10.335 -12.333 -1.662 424 HG LEU 55 HG LEU 55 9.457 -13.334 -3.910 425 1HD1 LEU 55 3HD1 LEU 55 8.050 -11.993 -2.306 426 2HD1 LEU 55 2HD1 LEU 55 8.498 -10.523 -3.150 427 3HD1 LEU 55 1HD1 LEU 55 7.602 -11.774 -3.978 428 1HD2 LEU 55 1HD2 LEU 55 10.991 -12.015 -5.414 429 2HD2 LEU 55 3HD2 LEU 55 9.305 -11.734 -5.785 430 3HD2 LEU 55 2HD2 LEU 55 10.210 -10.529 -4.901 431 H ALA 56 H ALA 56 10.042 -10.183 -0.621 432 HA ALA 56 HA ALA 56 8.079 -8.432 -1.425 433 1HB ALA 56 3HB ALA 56 8.508 -9.147 0.903 434 2HB ALA 56 2HB ALA 56 9.886 -8.071 1.026 435 3HB ALA 56 1HB ALA 56 8.264 -7.413 0.847 436 H LYS 57 H LYS 57 11.280 -7.214 -0.544 437 HA LYS 57 HA LYS 57 10.665 -4.629 -1.904 438 1HB LYS 57 2HB LYS 57 13.058 -4.016 -0.988 439 2HB LYS 57 1HB LYS 57 11.783 -4.282 0.155 440 1HG LYS 57 2HG LYS 57 13.988 -5.366 0.821 441 2HG LYS 57 1HG LYS 57 12.600 -6.409 0.854 442 1HD LYS 57 2HD LYS 57 14.461 -7.609 -0.221 443 2HD LYS 57 1HD LYS 57 13.215 -7.316 -1.398 444 1HE LYS 57 2HE LYS 57 14.722 -5.099 -1.872 445 2HE LYS 57 1HE LYS 57 15.940 -6.123 -1.156 446 1HZ LYS 57 1HZ LYS 57 14.503 -7.829 -2.823 447 2HZ LYS 57 3HZ LYS 57 14.615 -6.464 -3.717 448 3HZ LYS 57 2HZ LYS 57 16.017 -7.245 -3.167 449 H SER 58 H SER 58 10.897 -6.876 -3.448 450 HA SER 58 HA SER 58 12.827 -6.007 -5.579 451 1HB SER 58 2HB SER 58 12.367 -8.809 -4.477 452 2HB SER 58 1HB SER 58 12.659 -8.618 -6.209 453 HG SER 58 HG SER 58 14.654 -8.247 -5.700 454 H LEU 59 H LEU 59 9.894 -6.135 -4.532 455 HA LEU 59 HA LEU 59 8.488 -6.421 -7.138 456 1HB LEU 59 2HB LEU 59 7.396 -6.733 -4.283 457 2HB LEU 59 1HB LEU 59 6.451 -6.874 -5.745 458 HG LEU 59 HG LEU 59 8.584 -8.754 -4.696 459 1HD1 LEU 59 3HD1 LEU 59 5.646 -9.013 -5.487 460 2HD1 LEU 59 2HD1 LEU 59 6.627 -10.331 -4.905 461 3HD1 LEU 59 1HD1 LEU 59 6.260 -8.982 -3.847 462 1HD2 LEU 59 1HD2 LEU 59 7.209 -8.843 -7.430 463 2HD2 LEU 59 3HD2 LEU 59 8.921 -8.541 -7.175 464 3HD2 LEU 59 2HD2 LEU 59 8.242 -10.097 -6.766 465 H SER 60 H SER 60 8.538 -4.846 -3.877 466 HA SER 60 HA SER 60 7.109 -2.507 -4.657 467 1HB SER 60 2HB SER 60 7.777 -1.696 -2.569 468 2HB SER 60 1HB SER 60 7.744 -3.445 -2.427 469 HG SER 60 HG SER 60 10.189 -2.582 -3.273 470 H HIS 61 H HIS 61 7.675 -0.577 -5.496 471 HA HIS 61 HA HIS 61 10.504 -0.232 -6.365 472 1HB HIS 61 2HB HIS 61 9.147 1.020 -8.364 473 2HB HIS 61 1HB HIS 61 9.433 -0.711 -8.358 474 HD1 HIS 61 HD1 HIS 61 7.385 -2.153 -7.437 475 HD2 HIS 61 HD2 HIS 61 6.479 1.751 -8.253 476 HE1 HIS 61 HE1 HIS 61 4.901 -1.989 -7.543 477 H LYS 62 H LYS 62 11.557 1.510 -6.208 478 HA LYS 62 HA LYS 62 10.354 3.935 -4.904 479 1HB LYS 62 2HB LYS 62 13.189 3.004 -5.009 480 2HB LYS 62 1HB LYS 62 12.590 4.484 -4.266 481 1HG LYS 62 2HG LYS 62 11.029 3.000 -2.779 482 2HG LYS 62 1HG LYS 62 11.824 1.608 -3.442 483 1HD LYS 62 2HD LYS 62 12.656 2.373 -1.154 484 2HD LYS 62 1HD LYS 62 13.917 2.115 -2.344 485 1HE LYS 62 2HE LYS 62 14.335 4.425 -2.574 486 2HE LYS 62 1HE LYS 62 12.716 4.862 -2.049 487 1HZ LYS 62 2HZ LYS 62 13.777 3.431 0.067 488 2HZ LYS 62 1HZ LYS 62 15.007 4.565 -0.320 489 3HZ LYS 62 3HZ LYS 62 13.384 4.954 0.030 490 H GLN 63 H GLN 63 9.716 4.902 -6.637 491 HA GLN 63 HA GLN 63 11.790 6.079 -8.463 492 1HB GLN 63 2HB GLN 63 10.186 4.374 -9.454 493 2HB GLN 63 1HB GLN 63 8.854 5.427 -9.032 494 1HG GLN 63 2HG GLN 63 10.001 7.221 -10.604 495 2HG GLN 63 1HG GLN 63 10.955 5.882 -11.221 496 1HE2 GLN 63 2HE2 GLN 63 8.169 4.310 -12.729 497 2HE2 GLN 63 1HE2 GLN 63 9.758 4.100 -12.193 498 H LEU 64 H LEU 64 11.029 7.101 -6.022 499 HA LEU 64 HA LEU 64 9.889 8.907 -4.929 500 1HB LEU 64 2HB LEU 64 12.023 9.934 -6.838 501 2HB LEU 64 1HB LEU 64 11.312 10.965 -5.633 502 HG LEU 64 HG LEU 64 12.063 9.203 -3.883 503 1HD1 LEU 64 2HD1 LEU 64 13.850 8.429 -6.244 504 2HD1 LEU 64 1HD1 LEU 64 14.069 7.868 -4.603 505 3HD1 LEU 64 3HD1 LEU 64 12.681 7.351 -5.523 506 1HD2 LEU 64 1HD2 LEU 64 14.123 10.744 -5.508 507 2HD2 LEU 64 3HD2 LEU 64 13.148 11.409 -4.213 508 3HD2 LEU 64 2HD2 LEU 64 14.356 10.186 -3.862 509 H LEU 65 H LEU 65 7.812 8.459 -6.264 510 HA LEU 65 HA LEU 65 6.958 10.113 -8.386 511 1HB LEU 65 2HB LEU 65 5.678 8.527 -6.190 512 2HB LEU 65 1HB LEU 65 4.619 9.684 -6.952 513 HG LEU 65 HG LEU 65 5.296 8.610 -9.201 514 1HD1 LEU 65 2HD1 LEU 65 6.559 6.554 -7.332 515 2HD1 LEU 65 1HD1 LEU 65 6.371 6.395 -9.073 516 3HD1 LEU 65 3HD1 LEU 65 7.438 7.614 -8.425 517 1HD2 LEU 65 1HD2 LEU 65 4.105 6.754 -7.095 518 2HD2 LEU 65 3HD2 LEU 65 3.219 7.967 -8.011 519 3HD2 LEU 65 2HD2 LEU 65 3.926 6.597 -8.837 520 H MET 66 H MET 66 7.810 12.015 -8.168 521 HA MET 66 HA MET 66 6.755 13.940 -6.126 522 1HB MET 66 2HB MET 66 9.115 13.434 -5.977 523 2HB MET 66 1HB MET 66 9.365 13.911 -7.628 524 1HG MET 66 2HG MET 66 8.754 16.236 -7.119 525 2HG MET 66 1HG MET 66 8.297 15.813 -5.501 526 1HE MET 66 3HE MET 66 11.272 15.513 -7.991 527 2HE MET 66 2HE MET 66 10.938 17.243 -7.737 528 3HE MET 66 1HE MET 66 12.443 16.529 -7.179 529 H SER 67 H SER 67 7.014 13.629 -9.614 530 HA SER 67 HA SER 67 6.236 16.495 -9.945 531 1HB SER 67 2HB SER 67 7.941 15.529 -11.471 532 2HB SER 67 1HB SER 67 6.682 14.482 -12.158 533 HG SER 67 HG SER 67 5.819 16.220 -13.111 534 HA PRO 68 HA PRO 68 1.874 15.662 -9.996 535 1HB PRO 68 2HB PRO 68 0.987 17.952 -11.235 536 2HB PRO 68 1HB PRO 68 1.599 17.941 -9.578 537 1HG PRO 68 2HG PRO 68 3.195 18.466 -12.160 538 2HG PRO 68 1HG PRO 68 3.060 19.553 -10.771 539 1HD PRO 68 2HD PRO 68 5.166 17.962 -10.902 540 2HD PRO 68 1HD PRO 68 4.304 17.980 -9.340 541 H GLY 69 H GLY 69 2.119 13.799 -11.362 542 1HA GLY 69 2HA GLY 69 0.511 12.988 -13.233 543 2HA GLY 69 1HA GLY 69 1.263 14.222 -14.243 544 H GLN 70 H GLN 70 2.571 12.036 -11.978 545 HA GLN 70 HA GLN 70 4.438 10.817 -13.950 546 1HB GLN 70 2HB GLN 70 5.317 12.216 -11.986 547 2HB GLN 70 1HB GLN 70 4.633 11.030 -10.908 548 1HG GLN 70 2HG GLN 70 6.079 9.245 -12.166 549 2HG GLN 70 1HG GLN 70 6.908 10.590 -12.925 550 1HE2 GLN 70 2HE2 GLN 70 8.483 9.293 -9.714 551 2HE2 GLN 70 1HE2 GLN 70 7.672 8.463 -10.934 552 H SER 71 H SER 71 3.249 9.152 -14.667 553 HA SER 71 HA SER 71 2.134 7.078 -12.799 554 1HB SER 71 2HB SER 71 0.749 6.417 -14.810 555 2HB SER 71 1HB SER 71 0.479 8.086 -14.299 556 HG SER 71 HG SER 71 2.434 7.271 -16.216 557 H THR 72 H THR 72 3.286 5.340 -12.606 558 HA THR 72 HA THR 72 5.140 4.462 -14.838 559 HB THR 72 HB THR 72 6.333 5.229 -12.960 560 HG1 THR 72 HG1 THR 72 6.394 2.372 -12.976 561 1HG2 THR 72 3HG2 THR 72 4.756 4.596 -11.099 562 2HG2 THR 72 2HG2 THR 72 5.126 2.900 -11.370 563 3HG2 THR 72 1HG2 THR 72 6.392 4.002 -10.869 564 H SER 73 H SER 73 3.200 3.202 -15.718 565 HA SER 73 HA SER 73 2.081 0.887 -14.529 566 1HB SER 73 2HB SER 73 1.701 0.102 -16.916 567 2HB SER 73 1HB SER 73 1.365 1.826 -16.779 568 HG SER 73 HG SER 73 4.027 0.992 -17.296 569 H THR 74 H THR 74 3.060 -0.585 -13.483 570 HA THR 74 HA THR 74 5.527 -1.912 -14.585 571 HB THR 74 HB THR 74 4.797 -1.632 -11.605 572 HG1 THR 74 HG1 THR 74 5.331 0.336 -12.830 573 1HG2 THR 74 2HG2 THR 74 7.436 -2.117 -13.069 574 2HG2 THR 74 1HG2 THR 74 7.166 -2.091 -11.341 575 3HG2 THR 74 3HG2 THR 74 6.560 -3.437 -12.290 576 H THR 75 H THR 75 5.789 -4.157 -14.315 577 HA THR 75 HA THR 75 3.260 -5.750 -13.891 578 HB THR 75 HB THR 75 5.615 -6.479 -15.671 579 HG1 THR 75 HG1 THR 75 3.735 -6.281 -17.125 580 1HG2 THR 75 2HG2 THR 75 2.781 -7.667 -15.415 581 2HG2 THR 75 1HG2 THR 75 4.034 -8.208 -16.514 582 3HG2 THR 75 3HG2 THR 75 4.200 -8.491 -14.807 583 H PHE 76 H PHE 76 3.295 -7.745 -12.915 584 HA PHE 76 HA PHE 76 5.639 -8.321 -11.122 585 1HB PHE 76 2HB PHE 76 2.659 -8.922 -10.885 586 2HB PHE 76 1HB PHE 76 3.815 -9.491 -9.699 587 HD1 PHE 76 HD1 PHE 76 5.468 -7.538 -8.814 588 HD2 PHE 76 HD2 PHE 76 1.602 -6.913 -10.471 589 HE1 PHE 76 HE1 PHE 76 5.344 -5.369 -7.672 590 HE2 PHE 76 HE2 PHE 76 1.477 -4.740 -9.324 591 HZ PHE 76 HZ PHE 76 3.332 -3.974 -7.930 592 HA PRO 77 HA PRO 77 5.929 -12.391 -13.007 593 1HB PRO 77 2HB PRO 77 6.882 -13.979 -11.014 594 2HB PRO 77 1HB PRO 77 7.852 -12.636 -11.610 595 1HG PRO 77 2HG PRO 77 5.907 -12.610 -9.240 596 2HG PRO 77 1HG PRO 77 7.627 -12.233 -9.198 597 1HD PRO 77 2HD PRO 77 5.823 -10.202 -9.495 598 2HD PRO 77 1HD PRO 77 7.319 -10.163 -10.455 599 H ALA 78 H ALA 78 5.109 -14.773 -12.611 600 HA ALA 78 HA ALA 78 2.226 -14.535 -11.866 601 1HB ALA 78 2HB ALA 78 3.697 -16.492 -13.681 602 2HB ALA 78 1HB ALA 78 1.960 -16.465 -13.413 603 3HB ALA 78 3HB ALA 78 2.737 -15.100 -14.185 604 H ASP 79 H ASP 79 4.480 -15.338 -9.983 605 HA ASP 79 HA ASP 79 3.261 -17.830 -8.867 606 1HB ASP 79 2HB ASP 79 5.572 -18.192 -7.957 607 2HB ASP 79 1HB ASP 79 5.723 -17.788 -9.655 608 H ALA 80 H ALA 80 4.835 -14.909 -7.905 609 HA ALA 80 HA ALA 80 4.867 -13.914 -5.682 610 1HB ALA 80 1HB ALA 80 4.237 -12.491 -7.580 611 2HB ALA 80 3HB ALA 80 2.568 -13.015 -7.415 612 3HB ALA 80 2HB ALA 80 3.291 -12.008 -6.164 613 HA PRO 81 HA PRO 81 2.219 -17.425 -4.222 614 1HB PRO 81 2HB PRO 81 3.201 -15.913 -1.777 615 2HB PRO 81 1HB PRO 81 2.766 -17.627 -1.847 616 1HG PRO 81 2HG PRO 81 5.362 -16.961 -2.360 617 2HG PRO 81 1HG PRO 81 4.581 -18.110 -3.447 618 1HD PRO 81 2HD PRO 81 5.339 -15.272 -4.013 619 2HD PRO 81 1HD PRO 81 5.004 -16.570 -5.177 620 H ALA 82 H ALA 82 0.723 -16.127 -5.338 621 HA ALA 82 HA ALA 82 -1.198 -14.580 -5.376 622 1HB ALA 82 2HB ALA 82 -1.896 -17.455 -4.645 623 2HB ALA 82 1HB ALA 82 -3.016 -16.349 -5.426 624 3HB ALA 82 3HB ALA 82 -1.551 -16.843 -6.263 625 H GLY 83 H GLY 83 -0.403 -13.751 -3.040 626 1HA GLY 83 2HA GLY 83 -2.918 -13.688 -1.339 627 2HA GLY 83 1HA GLY 83 -1.329 -13.664 -0.619 628 H GLU 84 H GLU 84 -2.899 -11.965 0.308 629 HA GLU 84 HA GLU 84 -3.065 -9.376 -0.988 630 1HB GLU 84 2HB GLU 84 -3.450 -10.227 1.919 631 2HB GLU 84 1HB GLU 84 -3.846 -8.643 1.285 632 1HG GLU 84 2HG GLU 84 -5.128 -11.181 0.179 633 2HG GLU 84 1HG GLU 84 -5.843 -10.215 1.437 634 H TYR 85 H TYR 85 -0.900 -8.859 -1.550 635 HA TYR 85 HA TYR 85 1.217 -8.577 0.461 636 1HB TYR 85 2HB TYR 85 0.884 -7.629 -2.417 637 2HB TYR 85 1HB TYR 85 2.372 -7.352 -1.504 638 HD1 TYR 85 HD1 TYR 85 3.596 -9.285 -0.530 639 HD2 TYR 85 HD2 TYR 85 0.360 -9.832 -3.235 640 HE1 TYR 85 HE1 TYR 85 4.279 -11.640 -0.905 641 HE2 TYR 85 HE2 TYR 85 1.062 -12.164 -3.591 642 HH TYR 85 HH TYR 85 2.444 -13.725 -3.031 643 H THR 86 H THR 86 2.360 -6.237 0.441 644 HA THR 86 HA THR 86 0.412 -4.037 0.803 645 HB THR 86 HB THR 86 2.053 -5.024 3.217 646 HG1 THR 86 HG1 THR 86 -0.391 -5.223 2.036 647 1HG2 THR 86 1HG2 THR 86 -0.202 -2.944 2.907 648 2HG2 THR 86 3HG2 THR 86 0.690 -3.313 4.371 649 3HG2 THR 86 2HG2 THR 86 1.460 -2.417 3.073 650 H PHE 87 H PHE 87 1.162 -2.455 -0.250 651 HA PHE 87 HA PHE 87 4.015 -1.820 -0.089 652 1HB PHE 87 2HB PHE 87 2.972 -0.205 -2.137 653 2HB PHE 87 1HB PHE 87 3.873 -1.671 -2.363 654 HD1 PHE 87 HD2 PHE 87 2.617 -3.849 -2.484 655 HD2 PHE 87 HD1 PHE 87 0.691 -0.076 -2.649 656 HE1 PHE 87 HE2 PHE 87 0.680 -4.916 -3.463 657 HE2 PHE 87 HE1 PHE 87 -1.283 -1.119 -3.646 658 HZ PHE 87 HZ PHE 87 -1.324 -3.536 -4.069 659 H TYR 88 H TYR 88 4.593 -0.087 1.015 660 HA TYR 88 HA TYR 88 2.606 2.007 1.642 661 1HB TYR 88 2HB TYR 88 4.094 2.321 3.730 662 2HB TYR 88 1HB TYR 88 3.069 0.903 3.620 663 HD1 TYR 88 HD2 TYR 88 3.970 -1.265 3.185 664 HD2 TYR 88 HD1 TYR 88 6.563 2.093 3.444 665 HE1 TYR 88 HE2 TYR 88 5.894 -2.761 3.359 666 HE2 TYR 88 HE1 TYR 88 8.487 0.567 3.628 667 HH TYR 88 HH TYR 88 8.227 -2.764 3.015 668 H CYS 89 H CYS 89 3.094 4.140 1.502 669 HA CYS 89 HA CYS 89 5.257 4.983 -0.247 670 1HB CYS 89 2HB CYS 89 2.943 5.811 -0.314 671 2HB CYS 89 1HB CYS 89 3.219 6.550 1.248 672 H GLU 90 H GLU 90 7.085 4.434 1.139 673 HA GLU 90 HA GLU 90 8.293 4.861 3.315 674 1HB GLU 90 2HB GLU 90 9.117 6.271 0.814 675 2HB GLU 90 1HB GLU 90 10.166 6.310 2.227 676 1HG GLU 90 2HG GLU 90 9.948 3.671 2.041 677 2HG GLU 90 1HG GLU 90 9.300 4.010 0.446 678 HA PRO 91 HA PRO 91 8.628 9.347 4.617 679 1HB PRO 91 2HB PRO 91 8.485 11.452 3.018 680 2HB PRO 91 1HB PRO 91 9.753 10.251 2.710 681 1HG PRO 91 2HG PRO 91 6.956 10.336 1.405 682 2HG PRO 91 1HG PRO 91 8.514 10.400 0.590 683 1HD PRO 91 2HD PRO 91 7.255 7.988 0.959 684 2HD PRO 91 1HD PRO 91 9.026 8.176 1.061 685 H HIS 92 HN HIP 92 5.798 8.456 3.172 686 HA HIS 92 HA HIP 92 4.164 10.506 4.619 687 1HB HIS 92 2HB HIP 92 3.548 8.796 2.207 688 2HB HIS 92 1HB HIP 92 2.438 9.960 2.910 689 HD2 HIS 92 HD2 HIP 92 5.056 12.306 3.274 690 HE1 HIS 92 HE1 HIP 92 4.699 12.141 -0.884 691 HE2 HIS 92 HE2 HIP 92 5.547 13.399 0.998 692 H ARG 93 H ARG 93 4.549 9.197 6.503 693 HA ARG 93 HA ARG 93 2.794 6.777 6.730 694 1HB ARG 93 2HB ARG 93 4.921 8.012 8.546 695 2HB ARG 93 1HB ARG 93 3.989 6.603 9.016 696 1HG ARG 93 2HG ARG 93 4.808 5.387 6.938 697 2HG ARG 93 1HG ARG 93 5.783 6.772 6.521 698 1HD ARG 93 2HD ARG 93 6.069 5.366 9.211 699 2HD ARG 93 1HD ARG 93 6.967 4.855 7.781 700 HE ARG 93 HE ARG 93 7.093 7.752 8.683 701 1HH1 ARG 93 2HH1 ARG 93 8.514 6.840 6.398 702 2HH1 ARG 93 1HH1 ARG 93 10.122 6.657 6.969 703 1HH2 ARG 93 1HH2 ARG 93 8.864 6.597 10.207 704 2HH2 ARG 93 2HH2 ARG 93 10.349 6.503 9.317 705 H GLY 94 H GLY 94 1.247 6.712 8.569 706 1HA GLY 94 2HA GLY 94 -0.327 7.782 10.119 707 2HA GLY 94 1HA GLY 94 0.440 9.339 9.775 708 H ALA 95 H ALA 95 0.314 9.734 7.312 709 HA ALA 95 HA ALA 95 -2.528 10.102 6.643 710 1HB ALA 95 3HB ALA 95 0.066 10.920 5.239 711 2HB ALA 95 2HB ALA 95 -1.528 11.500 4.803 712 3HB ALA 95 1HB ALA 95 -0.837 11.924 6.365 713 H GLY 96 H GLY 96 -2.628 7.812 6.641 714 1HA GLY 96 2HA GLY 96 -2.396 5.574 5.608 715 2HA GLY 96 1HA GLY 96 -3.808 6.335 4.953 716 H MET 97 H MET 97 -0.446 6.730 3.973 717 HA MET 97 HA MET 97 -1.298 6.192 1.182 718 1HB MET 97 2HB MET 97 1.433 6.893 2.341 719 2HB MET 97 1HB MET 97 1.097 6.747 0.619 720 1HG MET 97 2HG MET 97 -0.869 8.516 1.441 721 2HG MET 97 1HG MET 97 0.429 8.920 2.500 722 1HE MET 97 2HE MET 97 -1.316 9.451 -0.539 723 2HE MET 97 1HE MET 97 -0.230 10.074 -1.750 724 3HE MET 97 3HE MET 97 -0.267 8.338 -1.438 725 H VAL 98 H VAL 98 -1.784 4.009 2.386 726 HA VAL 98 HA VAL 98 0.357 1.994 1.699 727 HB VAL 98 HB VAL 98 -1.743 1.733 3.776 728 1HG1 VAL 98 1HG1 VAL 98 0.644 -0.020 2.991 729 2HG1 VAL 98 3HG1 VAL 98 -0.380 -0.280 4.395 730 3HG1 VAL 98 2HG1 VAL 98 -1.042 -0.455 2.784 731 1HG2 VAL 98 2HG2 VAL 98 1.280 2.216 3.912 732 2HG2 VAL 98 1HG2 VAL 98 0.051 3.385 4.347 733 3HG2 VAL 98 3HG2 VAL 98 0.242 1.924 5.299 734 H GLY 99 H GLY 99 -0.167 0.360 0.274 735 1HA GLY 99 2HA GLY 99 -3.048 -0.232 -0.427 736 2HA GLY 99 1HA GLY 99 -1.854 -0.054 -1.687 737 H LYS 100 H LYS 100 -3.504 -2.270 -1.323 738 HA LYS 100 HA LYS 100 -1.529 -4.458 -0.850 739 1HB LYS 100 2HB LYS 100 -4.463 -4.409 -0.081 740 2HB LYS 100 1HB LYS 100 -3.544 -5.886 -0.146 741 1HG LYS 100 2HG LYS 100 -1.938 -4.633 1.591 742 2HG LYS 100 1HG LYS 100 -3.287 -3.560 1.769 743 1HD LYS 100 2HD LYS 100 -4.607 -5.071 2.879 744 2HD LYS 100 1HD LYS 100 -4.275 -6.364 1.771 745 1HE LYS 100 2HE LYS 100 -2.581 -5.581 4.177 746 2HE LYS 100 1HE LYS 100 -3.592 -7.022 4.007 747 1HZ LYS 100 2HZ LYS 100 -1.881 -6.827 1.753 748 2HZ LYS 100 1HZ LYS 100 -0.928 -6.700 3.112 749 3HZ LYS 100 3HZ LYS 100 -1.877 -8.057 2.872 750 H ILE 101 H ILE 101 -1.206 -5.784 -2.498 751 HA ILE 101 HA ILE 101 -3.270 -6.003 -4.667 752 HB ILE 101 HB ILE 101 -0.624 -5.274 -5.124 753 1HG1 ILE 101 2HG1 ILE 101 -2.565 -6.882 -6.809 754 2HG1 ILE 101 1HG1 ILE 101 -2.233 -5.168 -6.869 755 1HG2 ILE 101 3HG2 ILE 101 0.227 -7.597 -4.337 756 2HG2 ILE 101 2HG2 ILE 101 -0.692 -8.294 -5.658 757 3HG2 ILE 101 1HG2 ILE 101 0.647 -7.219 -5.987 758 1HD1 ILE 101 3HD1 ILE 101 0.123 -5.689 -7.743 759 2HD1 ILE 101 2HD1 ILE 101 -0.302 -7.381 -7.797 760 3HD1 ILE 101 1HD1 ILE 101 -1.112 -6.261 -8.832 761 H THR 102 H THR 102 -4.037 -7.978 -5.113 762 HA THR 102 HA THR 102 -3.081 -10.381 -3.549 763 HB THR 102 HB THR 102 -5.696 -10.601 -5.023 764 HG1 THR 102 HG1 THR 102 -5.389 -9.305 -2.546 765 1HG2 THR 102 3HG2 THR 102 -4.907 -11.105 -2.118 766 2HG2 THR 102 2HG2 THR 102 -6.376 -11.625 -2.901 767 3HG2 THR 102 1HG2 THR 102 -4.836 -12.338 -3.357 768 H VAL 103 H VAL 103 -1.626 -11.431 -4.970 769 HA VAL 103 HA VAL 103 -2.203 -11.247 -7.898 770 HB VAL 103 HB VAL 103 0.024 -12.763 -6.486 771 1HG1 VAL 103 1HG1 VAL 103 -0.214 -11.510 -9.271 772 2HG1 VAL 103 3HG1 VAL 103 1.237 -12.285 -8.692 773 3HG1 VAL 103 2HG1 VAL 103 -0.221 -13.220 -8.906 774 1HG2 VAL 103 1HG2 VAL 103 0.087 -9.815 -7.286 775 2HG2 VAL 103 3HG2 VAL 103 0.138 -10.444 -5.659 776 3HG2 VAL 103 2HG2 VAL 103 1.463 -10.747 -6.750 777 H ALA 104 H ALA 104 -4.263 -12.314 -7.199 778 HA ALA 104 HA ALA 104 -4.112 -15.294 -7.294 779 1HB ALA 104 3HB ALA 104 -6.297 -13.443 -6.304 780 2HB ALA 104 2HB ALA 104 -6.385 -15.194 -6.271 781 3HB ALA 104 1HB ALA 104 -5.174 -14.364 -5.302 782 H GLY 105 HN GLY 105 -6.077 -16.391 -8.217 783 1HA GLY 105 2HA GLY 105 -7.334 -15.245 -10.594 784 2HA GLY 105 1HA GLY 105 -6.215 -16.581 -10.895 No H/Q in entry = 784 Start of MODEL 2 1 1H GLU 1 1H GLU 1 -4.625 -6.205 -13.968 2 2H GLU 1 3H GLU 1 -5.747 -7.031 -14.943 3 3H GLU 1 2H GLU 1 -4.291 -7.752 -14.509 4 HA GLU 1 HA GLU 1 -3.232 -6.862 -16.276 5 1HB GLU 1 2HB GLU 1 -6.016 -5.833 -16.974 6 2HB GLU 1 1HB GLU 1 -4.672 -5.955 -18.085 7 1HG GLU 1 2HG GLU 1 -6.424 -8.182 -17.051 8 2HG GLU 1 1HG GLU 1 -5.550 -8.070 -18.560 9 H THR 2 H THR 2 -2.843 -4.716 -17.548 10 HA THR 2 HA THR 2 -1.729 -2.760 -15.991 11 HB THR 2 HB THR 2 -2.954 -2.240 -18.786 12 HG1 THR 2 HG1 THR 2 -0.622 -3.261 -19.058 13 1HG2 THR 2 3HG2 THR 2 -0.159 -1.673 -17.625 14 2HG2 THR 2 2HG2 THR 2 -0.786 -1.114 -19.168 15 3HG2 THR 2 1HG2 THR 2 -1.422 -0.469 -17.671 16 H TYR 3 H TYR 3 -3.172 -2.414 -14.365 17 HA TYR 3 HA TYR 3 -5.325 -0.396 -15.000 18 1HB TYR 3 2HB TYR 3 -4.829 -1.712 -12.272 19 2HB TYR 3 1HB TYR 3 -6.292 -0.915 -12.811 20 HD1 TYR 3 HD1 TYR 3 -6.849 -2.138 -15.414 21 HD2 TYR 3 HD2 TYR 3 -5.381 -3.956 -11.855 22 HE1 TYR 3 HE1 TYR 3 -7.781 -4.317 -16.114 23 HE2 TYR 3 HE2 TYR 3 -6.330 -6.103 -12.569 24 HH TYR 3 HH TYR 3 -8.545 -6.486 -14.806 25 H THR 4 H THR 4 -4.912 1.704 -14.609 26 HA THR 4 HA THR 4 -2.391 2.453 -13.216 27 HB THR 4 HB THR 4 -4.309 4.311 -14.700 28 HG1 THR 4 HG1 THR 4 -1.845 3.382 -15.648 29 1HG2 THR 4 2HG2 THR 4 -1.278 4.393 -14.113 30 2HG2 THR 4 1HG2 THR 4 -2.226 5.639 -14.917 31 3HG2 THR 4 3HG2 THR 4 -2.432 5.334 -13.197 32 H VAL 5 H VAL 5 -2.868 2.006 -11.247 33 HA VAL 5 HA VAL 5 -4.939 3.127 -9.563 34 HB VAL 5 HB VAL 5 -2.223 1.891 -8.923 35 1HG1 VAL 5 2HG1 VAL 5 -3.287 2.956 -6.920 36 2HG1 VAL 5 1HG1 VAL 5 -4.735 1.992 -7.203 37 3HG1 VAL 5 3HG1 VAL 5 -3.237 1.213 -6.778 38 1HG2 VAL 5 3HG2 VAL 5 -3.615 0.366 -10.315 39 2HG2 VAL 5 2HG2 VAL 5 -3.462 -0.257 -8.685 40 3HG2 VAL 5 1HG2 VAL 5 -4.951 0.531 -9.188 41 H LYS 6 H LYS 6 -4.506 4.733 -7.799 42 HA LYS 6 HA LYS 6 -2.223 6.595 -8.487 43 1HB LYS 6 2HB LYS 6 -5.104 7.275 -7.815 44 2HB LYS 6 1HB LYS 6 -3.838 8.474 -7.894 45 1HG LYS 6 2HG LYS 6 -3.380 8.129 -10.180 46 2HG LYS 6 1HG LYS 6 -4.151 6.582 -10.275 47 1HD LYS 6 2HD LYS 6 -6.217 8.384 -9.386 48 2HD LYS 6 1HD LYS 6 -5.346 9.273 -10.618 49 1HE LYS 6 2HE LYS 6 -7.312 7.909 -11.498 50 2HE LYS 6 1HE LYS 6 -5.785 7.500 -12.282 51 1HZ LYS 6 2HZ LYS 6 -5.960 6.071 -9.896 52 2HZ LYS 6 1HZ LYS 6 -7.376 5.740 -10.564 53 3HZ LYS 6 3HZ LYS 6 -5.964 5.366 -11.360 54 H LEU 7 H LEU 7 -1.648 8.132 -7.051 55 HA LEU 7 HA LEU 7 -1.558 7.361 -4.157 56 1HB LEU 7 2HB LEU 7 0.652 9.025 -5.460 57 2HB LEU 7 1HB LEU 7 0.772 7.934 -4.125 58 HG LEU 7 HG LEU 7 0.251 6.828 -6.919 59 1HD1 LEU 7 1HD1 LEU 7 2.302 8.255 -6.988 60 2HD1 LEU 7 3HD1 LEU 7 2.978 7.351 -5.639 61 3HD1 LEU 7 2HD1 LEU 7 2.673 6.567 -7.166 62 1HD2 LEU 7 2HD2 LEU 7 1.633 5.819 -4.411 63 2HD2 LEU 7 1HD2 LEU 7 0.001 5.398 -4.929 64 3HD2 LEU 7 3HD2 LEU 7 1.388 4.900 -5.881 65 H GLY 8 H GLY 8 -3.325 8.817 -3.529 66 1HA GLY 8 2HA GLY 8 -3.272 11.172 -2.474 67 2HA GLY 8 1HA GLY 8 -2.733 11.748 -4.018 68 H SER 9 H SER 9 -5.378 11.380 -2.048 69 HA SER 9 HA SER 9 -7.394 11.459 -4.249 70 1HB SER 9 2HB SER 9 -9.060 11.628 -2.309 71 2HB SER 9 1HB SER 9 -8.064 10.177 -2.226 72 HG SER 9 HG SER 9 -6.749 12.252 -1.053 73 H ASP 10 H ASP 10 -6.331 13.260 -5.032 74 HA ASP 10 HA ASP 10 -5.680 15.562 -5.065 75 1HB ASP 10 2HB ASP 10 -7.146 15.574 -6.907 76 2HB ASP 10 1HB ASP 10 -8.229 14.512 -6.060 77 H LYS 11 H LYS 11 -8.734 15.720 -3.261 78 HA LYS 11 HA LYS 11 -7.721 18.193 -1.859 79 1HB LYS 11 2HB LYS 11 -10.436 17.310 -2.751 80 2HB LYS 11 1HB LYS 11 -10.287 18.523 -1.494 81 1HG LYS 11 2HG LYS 11 -9.044 20.036 -2.897 82 2HG LYS 11 1HG LYS 11 -8.766 18.815 -4.115 83 1HD LYS 11 2HD LYS 11 -11.577 19.798 -3.379 84 2HD LYS 11 1HD LYS 11 -10.627 20.550 -4.659 85 1HE LYS 11 2HE LYS 11 -10.449 18.392 -5.819 86 2HE LYS 11 1HE LYS 11 -11.383 17.590 -4.556 87 1HZ LYS 11 2HZ LYS 11 -12.767 19.893 -5.458 88 2HZ LYS 11 1HZ LYS 11 -12.282 18.956 -6.797 89 3HZ LYS 11 3HZ LYS 11 -13.227 18.253 -5.583 90 H GLY 12 H GLY 12 -8.136 15.049 -0.970 91 1HA GLY 12 2HA GLY 12 -8.780 15.820 1.882 92 2HA GLY 12 1HA GLY 12 -9.312 14.310 1.207 93 H LEU 13 H LEU 13 -7.454 12.735 0.681 94 HA LEU 13 HA LEU 13 -5.170 13.117 2.566 95 1HB LEU 13 2HB LEU 13 -7.428 11.419 2.977 96 2HB LEU 13 1HB LEU 13 -6.150 10.326 2.541 97 HG LEU 13 HG LEU 13 -6.265 10.550 4.968 98 1HD1 LEU 13 2HD1 LEU 13 -3.963 10.314 4.063 99 2HD1 LEU 13 1HD1 LEU 13 -3.818 12.073 3.965 100 3HD1 LEU 13 3HD1 LEU 13 -3.987 11.286 5.510 101 1HD2 LEU 13 2HD2 LEU 13 -7.305 12.793 5.058 102 2HD2 LEU 13 1HD2 LEU 13 -5.880 12.726 6.076 103 3HD2 LEU 13 3HD2 LEU 13 -5.815 13.536 4.528 104 H LEU 14 H LEU 14 -3.668 11.094 2.388 105 HA LEU 14 HA LEU 14 -2.782 10.966 -0.465 106 1HB LEU 14 2HB LEU 14 -1.340 9.969 2.029 107 2HB LEU 14 1HB LEU 14 -0.637 10.289 0.465 108 HG LEU 14 HG LEU 14 -1.752 12.377 2.391 109 1HD1 LEU 14 3HD1 LEU 14 1.064 11.760 1.391 110 2HD1 LEU 14 2HD1 LEU 14 0.632 13.063 2.478 111 3HD1 LEU 14 1HD1 LEU 14 0.445 11.397 2.994 112 1HD2 LEU 14 3HD2 LEU 14 -0.423 12.725 -0.340 113 2HD2 LEU 14 2HD2 LEU 14 -2.120 13.028 -0.011 114 3HD2 LEU 14 1HD2 LEU 14 -0.894 14.011 0.753 115 H VAL 15 H VAL 15 -5.033 9.582 -0.131 116 HA VAL 15 HA VAL 15 -4.329 6.757 0.468 117 HB VAL 15 HB VAL 15 -6.402 7.804 1.380 118 1HG1 VAL 15 1HG1 VAL 15 -7.277 7.968 -1.536 119 2HG1 VAL 15 3HG1 VAL 15 -8.304 8.300 -0.159 120 3HG1 VAL 15 2HG1 VAL 15 -6.940 9.338 -0.490 121 1HG2 VAL 15 3HG2 VAL 15 -6.470 5.331 0.969 122 2HG2 VAL 15 2HG2 VAL 15 -8.041 6.082 0.778 123 3HG2 VAL 15 1HG2 VAL 15 -7.134 5.632 -0.636 124 H PHE 16 H PHE 16 -5.256 5.134 -0.879 125 HA PHE 16 HA PHE 16 -4.655 5.484 -3.804 126 1HB PHE 16 2HB PHE 16 -4.527 2.841 -2.292 127 2HB PHE 16 1HB PHE 16 -3.830 3.210 -3.851 128 HD1 PHE 16 HD1 PHE 16 -1.835 4.783 -3.941 129 HD2 PHE 16 HD2 PHE 16 -3.289 3.106 -0.327 130 HE1 PHE 16 HE1 PHE 16 0.330 5.232 -2.848 131 HE2 PHE 16 HE2 PHE 16 -1.159 3.559 0.742 132 HZ PHE 16 HZ PHE 16 0.672 4.614 -0.501 133 H GLU 17 H GLU 17 -5.777 3.864 -5.156 134 HA GLU 17 HA GLU 17 -8.613 3.541 -4.265 135 1HB GLU 17 2HB GLU 17 -9.104 3.642 -6.694 136 2HB GLU 17 1HB GLU 17 -8.045 4.961 -6.260 137 1HG GLU 17 2HG GLU 17 -6.076 3.365 -6.969 138 2HG GLU 17 1HG GLU 17 -7.288 2.419 -7.790 139 HA PRO 18 HA PRO 18 -10.290 1.289 -3.691 140 1HB PRO 18 2HB PRO 18 -10.670 -1.430 -4.400 141 2HB PRO 18 1HB PRO 18 -11.564 -0.056 -5.035 142 1HG PRO 18 2HG PRO 18 -8.996 -1.327 -6.176 143 2HG PRO 18 1HG PRO 18 -10.484 -0.953 -7.060 144 1HD PRO 18 2HD PRO 18 -8.479 0.770 -7.245 145 2HD PRO 18 1HD PRO 18 -10.058 1.479 -6.823 146 H ALA 19 H ALA 19 -7.721 1.352 -2.724 147 HA ALA 19 HA ALA 19 -6.439 0.854 -0.836 148 1HB ALA 19 1HB ALA 19 -8.670 0.824 0.283 149 2HB ALA 19 3HB ALA 19 -8.904 -0.859 -0.135 150 3HB ALA 19 2HB ALA 19 -7.648 -0.403 1.000 151 H LYS 20 H LYS 20 -8.009 -2.075 -1.647 152 HA LYS 20 HA LYS 20 -5.435 -3.625 -1.778 153 1HB LYS 20 2HB LYS 20 -8.177 -4.641 -1.560 154 2HB LYS 20 1HB LYS 20 -6.672 -5.598 -1.580 155 1HG LYS 20 2HG LYS 20 -6.336 -4.853 0.755 156 2HG LYS 20 1HG LYS 20 -7.930 -4.100 0.691 157 1HD LYS 20 2HD LYS 20 -7.229 -7.112 0.297 158 2HD LYS 20 1HD LYS 20 -8.419 -6.455 1.391 159 1HE LYS 20 2HE LYS 20 -9.745 -7.456 -0.352 160 2HE LYS 20 1HE LYS 20 -9.788 -5.753 -0.752 161 1HZ LYS 20 1HZ LYS 20 -7.475 -7.132 -1.860 162 2HZ LYS 20 3HZ LYS 20 -8.866 -7.732 -2.543 163 3HZ LYS 20 2HZ LYS 20 -8.503 -6.130 -2.673 164 H LEU 21 H LEU 21 -5.656 -2.593 -4.358 165 HA LEU 21 HA LEU 21 -7.769 -3.618 -5.990 166 1HB LEU 21 2HB LEU 21 -5.735 -2.054 -6.690 167 2HB LEU 21 1HB LEU 21 -4.909 -3.553 -7.031 168 HG LEU 21 HG LEU 21 -7.454 -2.472 -8.339 169 1HD1 LEU 21 1HD1 LEU 21 -4.799 -3.420 -9.441 170 2HD1 LEU 21 3HD1 LEU 21 -6.159 -2.830 -10.381 171 3HD1 LEU 21 2HD1 LEU 21 -5.323 -1.762 -9.275 172 1HD2 LEU 21 2HD2 LEU 21 -6.414 -5.341 -8.708 173 2HD2 LEU 21 1HD2 LEU 21 -7.973 -4.905 -8.064 174 3HD2 LEU 21 3HD2 LEU 21 -7.599 -4.581 -9.719 175 H THR 22 H THR 22 -8.421 -5.639 -6.166 176 HA THR 22 HA THR 22 -6.556 -7.867 -5.686 177 HB THR 22 HB THR 22 -9.607 -7.754 -6.157 178 HG1 THR 22 HG1 THR 22 -8.612 -9.202 -4.139 179 1HG2 THR 22 2HG2 THR 22 -7.937 -10.281 -5.605 180 2HG2 THR 22 1HG2 THR 22 -9.693 -10.173 -5.657 181 3HG2 THR 22 3HG2 THR 22 -8.754 -9.939 -7.108 182 H ILE 23 H ILE 23 -5.252 -7.303 -7.437 183 HA ILE 23 HA ILE 23 -5.974 -7.453 -10.224 184 HB ILE 23 HB ILE 23 -3.506 -7.310 -10.577 185 1HG1 ILE 23 2HG1 ILE 23 -2.056 -7.259 -8.455 186 2HG1 ILE 23 1HG1 ILE 23 -3.285 -8.292 -7.758 187 1HG2 ILE 23 1HG2 ILE 23 -4.718 -5.365 -9.947 188 2HG2 ILE 23 3HG2 ILE 23 -4.422 -5.673 -8.233 189 3HG2 ILE 23 2HG2 ILE 23 -3.096 -5.314 -9.318 190 1HD1 ILE 23 1HD1 ILE 23 -1.843 -8.739 -10.409 191 2HD1 ILE 23 3HD1 ILE 23 -1.337 -9.497 -8.938 192 3HD1 ILE 23 2HD1 ILE 23 -2.895 -9.897 -9.613 193 H LYS 24 H LYS 24 -4.652 -9.375 -11.781 194 HA LYS 24 HA LYS 24 -5.397 -11.745 -10.262 195 1HB LYS 24 2HB LYS 24 -5.889 -12.646 -12.600 196 2HB LYS 24 1HB LYS 24 -6.786 -11.202 -12.210 197 1HG LYS 24 2HG LYS 24 -5.925 -10.832 -14.436 198 2HG LYS 24 1HG LYS 24 -4.939 -9.825 -13.422 199 1HD LYS 24 2HD LYS 24 -3.748 -12.416 -13.383 200 2HD LYS 24 1HD LYS 24 -4.246 -12.070 -15.025 201 1HE LYS 24 2HE LYS 24 -2.706 -9.908 -13.760 202 2HE LYS 24 1HE LYS 24 -1.849 -11.419 -13.890 203 1HZ LYS 24 2HZ LYS 24 -3.214 -10.969 -16.353 204 2HZ LYS 24 1HZ LYS 24 -2.518 -9.605 -15.973 205 3HZ LYS 24 3HZ LYS 24 -1.502 -10.938 -16.063 206 HA PRO 25 HA PRO 25 -1.205 -13.142 -9.955 207 1HB PRO 25 2HB PRO 25 -1.099 -15.480 -11.534 208 2HB PRO 25 1HB PRO 25 -1.593 -15.359 -9.849 209 1HG PRO 25 2HG PRO 25 -3.414 -15.200 -12.321 210 2HG PRO 25 1HG PRO 25 -3.607 -16.214 -10.881 211 1HD PRO 25 2HD PRO 25 -4.999 -13.975 -10.885 212 2HD PRO 25 1HD PRO 25 -3.989 -14.293 -9.458 213 H GLY 26 H GLY 26 -0.664 -11.039 -11.256 214 1HA GLY 26 2HA GLY 26 1.492 -10.637 -12.440 215 2HA GLY 26 1HA GLY 26 1.145 -11.919 -13.526 216 H ASP 27 H ASP 27 0.193 -8.572 -12.767 217 HA ASP 27 HA ASP 27 -0.133 -8.145 -15.700 218 1HB ASP 27 2HB ASP 27 -1.954 -6.428 -14.780 219 2HB ASP 27 1HB ASP 27 -2.394 -8.131 -14.986 220 H THR 28 H THR 28 -0.456 -5.558 -15.979 221 HA THR 28 HA THR 28 1.977 -4.325 -14.863 222 HB THR 28 HB THR 28 0.549 -3.857 -17.466 223 HG1 THR 28 HG1 THR 28 3.159 -4.557 -16.636 224 1HG2 THR 28 3HG2 THR 28 3.193 -2.626 -16.443 225 2HG2 THR 28 2HG2 THR 28 2.525 -2.451 -18.041 226 3HG2 THR 28 1HG2 THR 28 1.786 -1.662 -16.678 227 H VAL 29 H VAL 29 0.066 -4.169 -13.327 228 HA VAL 29 HA VAL 29 -1.611 -1.822 -13.352 229 HB VAL 29 HB VAL 29 -0.461 -3.386 -10.980 230 1HG1 VAL 29 2HG1 VAL 29 -1.409 -1.096 -10.327 231 2HG1 VAL 29 1HG1 VAL 29 -2.900 -1.536 -11.122 232 3HG1 VAL 29 3HG1 VAL 29 -2.370 -2.427 -9.708 233 1HG2 VAL 29 1HG2 VAL 29 -1.866 -4.677 -12.623 234 2HG2 VAL 29 3HG2 VAL 29 -2.675 -4.520 -11.098 235 3HG2 VAL 29 2HG2 VAL 29 -3.157 -3.509 -12.443 236 H GLU 30 H GLU 30 -1.075 0.216 -13.320 237 HA GLU 30 HA GLU 30 1.593 1.148 -12.568 238 1HB GLU 30 2HB GLU 30 -0.592 2.185 -14.367 239 2HB GLU 30 1HB GLU 30 0.787 3.185 -13.944 240 1HG GLU 30 2HG GLU 30 1.048 0.392 -15.190 241 2HG GLU 30 1HG GLU 30 1.115 1.864 -16.126 242 H PHE 31 H PHE 31 2.004 2.665 -11.087 243 HA PHE 31 HA PHE 31 -0.283 3.751 -9.448 244 1HB PHE 31 2HB PHE 31 2.473 2.864 -8.717 245 2HB PHE 31 1HB PHE 31 1.551 3.875 -7.629 246 HD1 PHE 31 HD1 PHE 31 1.352 0.719 -9.604 247 HD2 PHE 31 HD2 PHE 31 0.003 2.824 -6.181 248 HE1 PHE 31 HE1 PHE 31 0.206 -1.302 -8.830 249 HE2 PHE 31 HE2 PHE 31 -1.153 0.802 -5.396 250 HZ PHE 31 HZ PHE 31 -1.060 -1.264 -6.721 251 H LEU 32 H LEU 32 -0.635 5.757 -10.244 252 HA LEU 32 HA LEU 32 1.556 7.651 -10.733 253 1HB LEU 32 2HB LEU 32 -0.174 7.180 -12.461 254 2HB LEU 32 1HB LEU 32 -1.392 7.811 -11.393 255 HG LEU 32 HG LEU 32 0.915 9.648 -12.154 256 1HD1 LEU 32 2HD1 LEU 32 -1.639 9.118 -13.755 257 2HD1 LEU 32 1HD1 LEU 32 -0.436 10.348 -14.099 258 3HD1 LEU 32 3HD1 LEU 32 -0.029 8.653 -14.278 259 1HD2 LEU 32 2HD2 LEU 32 -2.070 10.105 -11.662 260 2HD2 LEU 32 1HD2 LEU 32 -0.836 10.386 -10.452 261 3HD2 LEU 32 3HD2 LEU 32 -0.851 11.336 -11.911 262 H ASN 33 H ASN 33 1.900 9.562 -9.758 263 HA ASN 33 HA ASN 33 0.499 10.034 -7.152 264 1HB ASN 33 2HB ASN 33 2.315 11.680 -6.749 265 2HB ASN 33 1HB ASN 33 2.980 10.088 -7.070 266 1HD2 ASN 33 2HD2 ASN 33 4.440 11.270 -10.044 267 2HD2 ASN 33 1HD2 ASN 33 3.890 9.809 -9.361 268 H ASN 34 H ASN 34 -0.738 11.605 -6.539 269 HA ASN 34 HA ASN 34 -1.237 13.910 -8.380 270 1HB ASN 34 2HB ASN 34 -3.006 12.310 -8.681 271 2HB ASN 34 1HB ASN 34 -3.190 12.061 -6.954 272 1HD2 ASN 34 2HD2 ASN 34 -5.824 14.280 -7.026 273 2HD2 ASN 34 1HD2 ASN 34 -5.183 12.784 -6.508 274 H LYS 35 H LYS 35 0.308 14.868 -6.920 275 HA LYS 35 HA LYS 35 0.590 16.921 -5.707 276 1HB LYS 35 2HB LYS 35 -1.940 16.159 -4.143 277 2HB LYS 35 1HB LYS 35 -1.119 17.691 -4.052 278 1HG LYS 35 2HG LYS 35 -1.644 18.323 -6.298 279 2HG LYS 35 1HG LYS 35 -2.186 16.716 -6.731 280 1HD LYS 35 2HD LYS 35 -3.890 17.016 -4.721 281 2HD LYS 35 1HD LYS 35 -3.550 18.727 -4.900 282 1HE LYS 35 2HE LYS 35 -4.265 18.619 -7.275 283 2HE LYS 35 1HE LYS 35 -4.521 16.880 -7.116 284 1HZ LYS 35 3HZ LYS 35 -5.804 18.151 -4.928 285 2HZ LYS 35 2HZ LYS 35 -6.385 18.873 -6.335 286 3HZ LYS 35 1HZ LYS 35 -6.494 17.268 -6.144 287 H VAL 36 H VAL 36 0.477 17.414 -3.105 288 HA VAL 36 HA VAL 36 2.174 17.185 -1.390 289 HB VAL 36 HB VAL 36 0.142 15.008 -0.891 290 1HG1 VAL 36 1HG1 VAL 36 1.754 16.769 1.037 291 2HG1 VAL 36 3HG1 VAL 36 0.522 15.625 1.520 292 3HG1 VAL 36 2HG1 VAL 36 2.001 15.052 0.787 293 1HG2 VAL 36 3HG2 VAL 36 0.014 18.009 -0.276 294 2HG2 VAL 36 2HG2 VAL 36 -0.974 17.173 -1.467 295 3HG2 VAL 36 1HG2 VAL 36 -1.171 16.823 0.232 296 HA PRO 37 HA PRO 37 4.466 13.583 -3.039 297 1HB PRO 37 2HB PRO 37 6.599 14.835 -4.161 298 2HB PRO 37 1HB PRO 37 4.980 15.071 -4.832 299 1HG PRO 37 2HG PRO 37 6.435 16.798 -2.738 300 2HG PRO 37 1HG PRO 37 5.796 17.339 -4.292 301 1HD PRO 37 2HD PRO 37 4.341 17.526 -1.945 302 2HD PRO 37 1HD PRO 37 3.539 17.257 -3.512 303 HA PRO 38 HA PRO 38 6.433 12.816 -3.918 304 1HB PRO 38 2HB PRO 38 8.774 11.656 -4.044 305 2HB PRO 38 1HB PRO 38 8.731 13.402 -3.843 306 1HG PRO 38 2HG PRO 38 9.110 11.301 -1.619 307 2HG PRO 38 1HG PRO 38 10.097 12.730 -1.932 308 1HD PRO 38 2HD PRO 38 7.923 12.673 -0.122 309 2HD PRO 38 1HD PRO 38 8.561 14.160 -0.852 310 H HIS 39 HN HIP 39 5.749 10.762 -4.618 311 HA HIS 39 HA HIP 39 5.249 8.853 -2.356 312 1HB HIS 39 2HB HIP 39 3.651 9.122 -4.898 313 2HB HIS 39 1HB HIP 39 3.232 8.103 -3.529 314 HD2 HIS 39 HD2 HIP 39 2.863 11.546 -4.916 315 HE1 HIS 39 HE1 HIP 39 1.506 11.892 -1.008 316 HE2 HIS 39 HE2 HIP 39 1.692 12.953 -3.204 317 H ASN 40 H ASN 40 7.337 7.976 -2.719 318 HA ASN 40 HA ASN 40 7.608 6.053 -4.997 319 1HB ASN 40 2HB ASN 40 9.633 7.366 -4.246 320 2HB ASN 40 1HB ASN 40 9.387 6.753 -2.616 321 1HD2 ASN 40 2HD2 ASN 40 11.327 3.928 -3.348 322 2HD2 ASN 40 1HD2 ASN 40 10.760 5.005 -2.158 323 H VAL 41 H VAL 41 6.778 3.994 -4.697 324 HA VAL 41 HA VAL 41 6.149 3.268 -1.856 325 HB VAL 41 HB VAL 41 4.730 1.521 -2.726 326 1HG1 VAL 41 3HG1 VAL 41 3.776 3.751 -2.174 327 2HG1 VAL 41 2HG1 VAL 41 4.134 4.338 -3.790 328 3HG1 VAL 41 1HG1 VAL 41 2.916 3.097 -3.557 329 1HG2 VAL 41 3HG2 VAL 41 5.717 1.196 -5.023 330 2HG2 VAL 41 2HG2 VAL 41 4.018 1.593 -5.156 331 3HG2 VAL 41 1HG2 VAL 41 5.225 2.820 -5.472 332 H VAL 42 H VAL 42 7.065 1.894 -0.856 333 HA VAL 42 HA VAL 42 8.946 -0.017 -2.127 334 HB VAL 42 HB VAL 42 9.915 0.059 0.398 335 1HG1 VAL 42 1HG1 VAL 42 10.053 2.525 -1.458 336 2HG1 VAL 42 3HG1 VAL 42 11.225 2.113 -0.232 337 3HG1 VAL 42 2HG1 VAL 42 11.077 1.137 -1.666 338 1HG2 VAL 42 2HG2 VAL 42 7.894 1.427 1.138 339 2HG2 VAL 42 1HG2 VAL 42 9.448 2.202 1.480 340 3HG2 VAL 42 3HG2 VAL 42 8.460 2.733 0.137 341 H PHE 43 H PHE 43 8.659 -2.265 -1.554 342 HA PHE 43 HA PHE 43 6.003 -2.886 -0.492 343 1HB PHE 43 2HB PHE 43 8.132 -4.362 -2.010 344 2HB PHE 43 1HB PHE 43 6.992 -5.323 -1.106 345 HD1 PHE 43 HD2 PHE 43 6.904 -2.303 -3.399 346 HD2 PHE 43 HD1 PHE 43 5.128 -6.003 -2.298 347 HE1 PHE 43 HE2 PHE 43 5.274 -2.054 -5.209 348 HE2 PHE 43 HE1 PHE 43 3.489 -5.749 -4.120 349 HZ PHE 43 HZ PHE 43 3.566 -3.767 -5.574 350 H ASP 44 H ASP 44 5.686 -4.495 1.050 351 HA ASP 44 HA ASP 44 7.547 -4.205 3.346 352 1HB ASP 44 2HB ASP 44 4.914 -3.712 3.206 353 2HB ASP 44 1HB ASP 44 4.792 -5.432 3.543 354 H ALA 45 H ALA 45 7.950 -5.747 4.750 355 HA ALA 45 HA ALA 45 8.636 -8.384 3.652 356 1HB ALA 45 1HB ALA 45 10.468 -6.930 4.327 357 2HB ALA 45 3HB ALA 45 9.786 -6.788 5.942 358 3HB ALA 45 2HB ALA 45 10.411 -8.337 5.383 359 H ALA 46 H ALA 46 6.745 -6.989 6.120 360 HA ALA 46 HA ALA 46 6.297 -9.625 7.465 361 1HB ALA 46 3HB ALA 46 5.720 -6.744 8.334 362 2HB ALA 46 2HB ALA 46 5.414 -8.169 9.320 363 3HB ALA 46 1HB ALA 46 7.062 -7.731 8.892 364 H LEU 47 H LEU 47 4.774 -7.020 5.775 365 HA LEU 47 HA LEU 47 2.101 -8.382 5.925 366 1HB LEU 47 2HB LEU 47 2.758 -5.651 4.762 367 2HB LEU 47 1HB LEU 47 1.205 -6.227 5.346 368 HG LEU 47 HG LEU 47 3.671 -5.728 7.089 369 1HD1 LEU 47 3HD1 LEU 47 2.708 -3.700 6.116 370 2HD1 LEU 47 2HD1 LEU 47 1.113 -4.144 6.722 371 3HD1 LEU 47 1HD1 LEU 47 2.421 -3.784 7.848 372 1HD2 LEU 47 2HD2 LEU 47 0.751 -6.311 7.814 373 2HD2 LEU 47 1HD2 LEU 47 2.071 -7.452 8.012 374 3HD2 LEU 47 3HD2 LEU 47 2.043 -5.970 8.948 375 H ASN 48 H ASN 48 4.000 -9.706 4.319 376 HA ASN 48 HA ASN 48 2.875 -9.285 1.558 377 1HB ASN 48 2HB ASN 48 5.151 -9.806 0.657 378 2HB ASN 48 1HB ASN 48 5.326 -8.671 1.960 379 1HD2 ASN 48 2HD2 ASN 48 7.707 -10.629 3.388 380 2HD2 ASN 48 1HD2 ASN 48 7.148 -9.105 2.860 381 HA PRO 49 HA PRO 49 1.234 -13.356 1.434 382 1HB PRO 49 2HB PRO 49 2.679 -14.930 -0.373 383 2HB PRO 49 1HB PRO 49 1.476 -13.729 -0.836 384 1HG PRO 49 2HG PRO 49 4.514 -13.242 -0.538 385 2HG PRO 49 1HG PRO 49 3.501 -12.929 -1.957 386 1HD PRO 49 2HD PRO 49 3.912 -10.879 -0.350 387 2HD PRO 49 1HD PRO 49 2.228 -11.235 -0.741 388 H ALA 50 H ALA 50 4.420 -14.574 0.955 389 HA ALA 50 HA ALA 50 4.282 -16.271 3.402 390 1HB ALA 50 1HB ALA 50 4.727 -17.308 1.212 391 2HB ALA 50 3HB ALA 50 6.154 -16.295 0.997 392 3HB ALA 50 2HB ALA 50 6.122 -17.494 2.274 393 H LYS 51 H LYS 51 4.587 -13.888 4.146 394 HA LYS 51 HA LYS 51 6.145 -12.103 4.929 395 1HB LYS 51 2HB LYS 51 5.727 -14.528 6.691 396 2HB LYS 51 1HB LYS 51 6.664 -13.204 7.308 397 1HG LYS 51 2HG LYS 51 4.274 -12.978 7.995 398 2HG LYS 51 1HG LYS 51 4.808 -11.638 7.015 399 1HD LYS 51 2HD LYS 51 3.791 -12.706 5.013 400 2HD LYS 51 1HD LYS 51 3.185 -14.049 5.959 401 1HE LYS 51 2HE LYS 51 1.685 -12.426 7.131 402 2HE LYS 51 1HE LYS 51 2.398 -11.103 6.221 403 1HZ LYS 51 1HZ LYS 51 1.663 -13.087 4.350 404 2HZ LYS 51 3HZ LYS 51 0.287 -12.664 5.310 405 3HZ LYS 51 2HZ LYS 51 1.133 -11.531 4.516 406 H SER 52 H SER 52 7.690 -12.909 3.097 407 HA SER 52 HA SER 52 10.377 -13.528 4.319 408 1HB SER 52 2HB SER 52 9.479 -15.166 2.665 409 2HB SER 52 1HB SER 52 9.717 -13.952 1.387 410 HG SER 52 HG SER 52 11.717 -14.557 1.457 411 H ALA 53 H ALA 53 12.059 -12.836 2.421 412 HA ALA 53 HA ALA 53 11.953 -9.843 2.206 413 1HB ALA 53 1HB ALA 53 14.318 -11.721 2.550 414 2HB ALA 53 3HB ALA 53 14.449 -9.970 2.438 415 3HB ALA 53 2HB ALA 53 13.600 -10.698 3.791 416 H ASP 54 H ASP 54 13.426 -12.511 0.337 417 HA ASP 54 HA ASP 54 14.563 -11.436 -1.816 418 1HB ASP 54 2HB ASP 54 13.496 -13.478 -3.052 419 2HB ASP 54 1HB ASP 54 14.266 -13.843 -1.523 420 H LEU 55 H LEU 55 11.264 -12.255 -2.513 421 HA LEU 55 HA LEU 55 11.046 -10.267 -4.608 422 1HB LEU 55 2HB LEU 55 9.667 -12.318 -4.668 423 2HB LEU 55 1HB LEU 55 8.866 -11.876 -3.180 424 HG LEU 55 HG LEU 55 8.016 -9.760 -4.338 425 1HD1 LEU 55 1HD1 LEU 55 9.167 -11.091 -6.834 426 2HD1 LEU 55 3HD1 LEU 55 8.158 -9.672 -6.821 427 3HD1 LEU 55 2HD1 LEU 55 9.758 -9.596 -6.133 428 1HD2 LEU 55 3HD2 LEU 55 6.586 -11.762 -4.261 429 2HD2 LEU 55 2HD2 LEU 55 6.362 -10.874 -5.761 430 3HD2 LEU 55 1HD2 LEU 55 7.320 -12.337 -5.757 431 H ALA 56 H ALA 56 9.633 -10.459 -1.399 432 HA ALA 56 HA ALA 56 8.146 -8.181 -1.040 433 1HB ALA 56 1HB ALA 56 10.361 -9.203 0.823 434 2HB ALA 56 3HB ALA 56 9.038 -8.187 1.332 435 3HB ALA 56 2HB ALA 56 8.732 -9.824 0.782 436 H LYS 57 H LYS 57 11.644 -8.123 -0.792 437 HA LYS 57 HA LYS 57 11.711 -5.171 -0.903 438 1HB LYS 57 2HB LYS 57 13.407 -6.924 0.307 439 2HB LYS 57 1HB LYS 57 14.119 -7.115 -1.264 440 1HG LYS 57 2HG LYS 57 14.176 -4.751 0.631 441 2HG LYS 57 1HG LYS 57 15.521 -5.464 -0.211 442 1HD LYS 57 2HD LYS 57 13.333 -3.754 -1.421 443 2HD LYS 57 1HD LYS 57 14.902 -3.147 -1.038 444 1HE LYS 57 2HE LYS 57 15.961 -4.187 -2.849 445 2HE LYS 57 1HE LYS 57 14.709 -5.399 -3.056 446 1HZ LYS 57 2HZ LYS 57 13.488 -2.871 -3.205 447 2HZ LYS 57 1HZ LYS 57 14.759 -2.788 -4.296 448 3HZ LYS 57 3HZ LYS 57 13.544 -3.968 -4.415 449 H SER 58 H SER 58 12.717 -7.820 -3.078 450 HA SER 58 HA SER 58 13.645 -6.471 -5.314 451 1HB SER 58 2HB SER 58 12.925 -8.961 -5.192 452 2HB SER 58 1HB SER 58 11.307 -8.375 -5.623 453 HG SER 58 HG SER 58 13.345 -8.649 -7.321 454 H LEU 59 H LEU 59 10.285 -6.833 -4.595 455 HA LEU 59 HA LEU 59 9.083 -5.198 -6.507 456 1HB LEU 59 2HB LEU 59 8.183 -5.966 -3.722 457 2HB LEU 59 1HB LEU 59 7.138 -5.175 -4.894 458 HG LEU 59 HG LEU 59 8.513 -7.846 -5.309 459 1HD1 LEU 59 3HD1 LEU 59 6.645 -7.863 -3.642 460 2HD1 LEU 59 2HD1 LEU 59 5.600 -7.078 -4.816 461 3HD1 LEU 59 1HD1 LEU 59 6.172 -8.706 -5.109 462 1HD2 LEU 59 2HD2 LEU 59 6.449 -6.327 -6.989 463 2HD2 LEU 59 1HD2 LEU 59 8.104 -6.615 -7.466 464 3HD2 LEU 59 3HD2 LEU 59 7.011 -7.953 -7.326 465 H SER 60 H SER 60 10.088 -4.176 -3.171 466 HA SER 60 HA SER 60 8.983 -1.562 -3.303 467 1HB SER 60 2HB SER 60 10.932 -0.873 -1.667 468 2HB SER 60 1HB SER 60 10.350 -2.481 -1.190 469 HG SER 60 HG SER 60 11.765 -2.974 -3.202 470 H HIS 61 H HIS 61 9.358 0.356 -4.276 471 HA HIS 61 HA HIS 61 11.474 0.387 -6.337 472 1HB HIS 61 2HB HIS 61 9.003 0.979 -6.782 473 2HB HIS 61 1HB HIS 61 9.254 2.423 -5.809 474 HD1 HIS 61 HD1 HIS 61 10.927 0.810 -8.703 475 HD2 HIS 61 HD2 HIS 61 10.084 4.541 -7.349 476 HE1 HIS 61 HE1 HIS 61 11.784 2.406 -10.444 477 H LYS 62 H LYS 62 12.465 2.505 -6.720 478 HA LYS 62 HA LYS 62 14.555 3.282 -5.516 479 1HB LYS 62 2HB LYS 62 12.318 5.170 -6.268 480 2HB LYS 62 1HB LYS 62 13.918 5.773 -5.855 481 1HG LYS 62 2HG LYS 62 14.902 4.332 -7.697 482 2HG LYS 62 1HG LYS 62 13.283 3.844 -8.106 483 1HD LYS 62 2HD LYS 62 14.089 5.826 -9.539 484 2HD LYS 62 1HD LYS 62 12.560 6.042 -8.736 485 1HE LYS 62 2HE LYS 62 14.032 8.067 -8.588 486 2HE LYS 62 1HE LYS 62 13.544 7.478 -7.009 487 1HZ LYS 62 2HZ LYS 62 15.850 6.074 -7.916 488 2HZ LYS 62 1HZ LYS 62 16.204 7.727 -7.955 489 3HZ LYS 62 3HZ LYS 62 15.729 6.961 -6.517 490 H GLN 63 H GLN 63 13.045 5.945 -4.356 491 HA GLN 63 HA GLN 63 13.358 5.413 -1.486 492 1HB GLN 63 2HB GLN 63 14.950 7.758 -2.767 493 2HB GLN 63 1HB GLN 63 14.965 7.216 -1.116 494 1HG GLN 63 2HG GLN 63 17.049 6.516 -2.200 495 2HG GLN 63 1HG GLN 63 16.091 5.089 -1.869 496 1HE2 GLN 63 2HE2 GLN 63 16.720 4.071 -5.110 497 2HE2 GLN 63 1HE2 GLN 63 16.734 3.727 -3.445 498 H LEU 64 H LEU 64 13.390 7.945 -3.278 499 HA LEU 64 HA LEU 64 10.721 9.093 -2.468 500 1HB LEU 64 2HB LEU 64 13.235 10.668 -3.230 501 2HB LEU 64 1HB LEU 64 11.741 11.373 -2.663 502 HG LEU 64 HG LEU 64 13.515 9.503 -1.010 503 1HD1 LEU 64 1HD1 LEU 64 14.469 11.792 -1.412 504 2HD1 LEU 64 3HD1 LEU 64 12.970 12.506 -0.838 505 3HD1 LEU 64 2HD1 LEU 64 13.972 11.570 0.257 506 1HD2 LEU 64 2HD2 LEU 64 11.039 11.101 -0.208 507 2HD2 LEU 64 1HD2 LEU 64 11.121 9.346 -0.373 508 3HD2 LEU 64 3HD2 LEU 64 12.064 10.135 0.839 509 H LEU 65 H LEU 65 9.409 9.911 -3.989 510 HA LEU 65 HA LEU 65 10.117 9.517 -6.886 511 1HB LEU 65 2HB LEU 65 8.416 7.979 -6.027 512 2HB LEU 65 1HB LEU 65 7.419 9.332 -5.526 513 HG LEU 65 HG LEU 65 7.265 10.061 -7.947 514 1HD1 LEU 65 2HD1 LEU 65 8.705 7.405 -8.423 515 2HD1 LEU 65 1HD1 LEU 65 8.002 8.432 -9.655 516 3HD1 LEU 65 3HD1 LEU 65 9.381 8.993 -8.761 517 1HD2 LEU 65 3HD2 LEU 65 6.490 7.167 -7.397 518 2HD2 LEU 65 2HD2 LEU 65 5.530 8.561 -6.950 519 3HD2 LEU 65 1HD2 LEU 65 5.804 8.190 -8.642 520 H MET 66 H MET 66 10.924 11.669 -7.154 521 HA MET 66 HA MET 66 9.055 13.981 -6.849 522 1HB MET 66 2HB MET 66 11.883 13.750 -7.802 523 2HB MET 66 1HB MET 66 10.998 15.255 -7.563 524 1HG MET 66 2HG MET 66 11.621 13.238 -5.348 525 2HG MET 66 1HG MET 66 12.506 14.712 -5.592 526 1HE MET 66 2HE MET 66 11.133 17.081 -5.748 527 2HE MET 66 1HE MET 66 10.523 17.459 -4.153 528 3HE MET 66 3HE MET 66 12.127 16.769 -4.307 529 H SER 67 H SER 67 8.158 12.369 -8.389 530 HA SER 67 HA SER 67 8.476 13.137 -11.290 531 1HB SER 67 2HB SER 67 7.102 10.671 -10.186 532 2HB SER 67 1HB SER 67 7.500 11.010 -11.877 533 HG SER 67 HG SER 67 9.570 10.655 -11.474 534 HA PRO 68 HA PRO 68 4.647 15.179 -9.476 535 1HB PRO 68 2HB PRO 68 4.797 17.505 -10.992 536 2HB PRO 68 1HB PRO 68 5.722 17.247 -9.506 537 1HG PRO 68 2HG PRO 68 6.607 16.619 -12.388 538 2HG PRO 68 1HG PRO 68 7.443 17.661 -11.231 539 1HD PRO 68 2HD PRO 68 8.264 15.160 -11.398 540 2HD PRO 68 1HD PRO 68 7.929 15.754 -9.758 541 H GLY 69 H GLY 69 3.360 13.538 -10.376 542 1HA GLY 69 2HA GLY 69 1.154 13.394 -11.508 543 2HA GLY 69 1HA GLY 69 1.782 14.390 -12.802 544 H GLN 70 H GLN 70 3.964 11.975 -11.913 545 HA GLN 70 HA GLN 70 3.060 10.335 -14.271 546 1HB GLN 70 2HB GLN 70 5.830 10.483 -13.013 547 2HB GLN 70 1HB GLN 70 5.446 9.625 -14.484 548 1HG GLN 70 2HG GLN 70 6.143 11.616 -15.515 549 2HG GLN 70 1HG GLN 70 4.521 12.176 -15.150 550 1HE2 GLN 70 2HE2 GLN 70 5.793 14.622 -13.011 551 2HE2 GLN 70 1HE2 GLN 70 4.451 14.097 -13.896 552 H SER 71 H SER 71 3.852 8.059 -14.211 553 HA SER 71 HA SER 71 3.054 6.759 -11.625 554 1HB SER 71 2HB SER 71 1.456 6.372 -13.461 555 2HB SER 71 1HB SER 71 2.737 5.569 -14.380 556 HG SER 71 HG SER 71 2.577 3.882 -13.108 557 H THR 72 H THR 72 3.738 4.856 -11.055 558 HA THR 72 HA THR 72 6.533 4.017 -11.875 559 HB THR 72 HB THR 72 6.529 4.684 -9.515 560 HG1 THR 72 HG1 THR 72 6.408 1.938 -9.270 561 1HG2 THR 72 2HG2 THR 72 4.502 2.422 -9.117 562 2HG2 THR 72 1HG2 THR 72 5.257 3.401 -7.866 563 3HG2 THR 72 3HG2 THR 72 4.104 4.130 -8.970 564 H SER 73 H SER 73 6.696 1.788 -12.414 565 HA SER 73 HA SER 73 4.111 0.411 -12.950 566 1HB SER 73 2HB SER 73 5.774 0.562 -14.761 567 2HB SER 73 1HB SER 73 6.878 -0.465 -13.826 568 HG SER 73 HG SER 73 4.395 -0.930 -14.916 569 H THR 74 H THR 74 3.326 -1.309 -12.087 570 HA THR 74 HA THR 74 4.974 -2.832 -10.063 571 HB THR 74 HB THR 74 1.929 -3.098 -10.130 572 HG1 THR 74 HG1 THR 74 2.235 -0.982 -10.265 573 1HG2 THR 74 3HG2 THR 74 3.527 -4.129 -8.330 574 2HG2 THR 74 2HG2 THR 74 3.947 -2.471 -7.914 575 3HG2 THR 74 1HG2 THR 74 2.296 -3.027 -7.702 576 H THR 75 H THR 75 5.032 -3.195 -12.894 577 HA THR 75 HA THR 75 3.479 -5.350 -13.843 578 HB THR 75 HB THR 75 6.351 -4.570 -14.583 579 HG1 THR 75 HG1 THR 75 4.804 -3.063 -15.127 580 1HG2 THR 75 3HG2 THR 75 4.222 -6.168 -16.136 581 2HG2 THR 75 2HG2 THR 75 5.832 -5.757 -16.689 582 3HG2 THR 75 1HG2 THR 75 5.614 -6.961 -15.427 583 H PHE 76 H PHE 76 3.097 -7.081 -12.979 584 HA PHE 76 HA PHE 76 5.094 -8.725 -11.514 585 1HB PHE 76 2HB PHE 76 2.099 -8.659 -11.719 586 2HB PHE 76 1HB PHE 76 2.937 -10.013 -10.997 587 HD1 PHE 76 HD1 PHE 76 4.774 -9.302 -9.179 588 HD2 PHE 76 HD2 PHE 76 1.466 -6.887 -10.316 589 HE1 PHE 76 HE1 PHE 76 4.938 -8.094 -7.063 590 HE2 PHE 76 HE2 PHE 76 1.641 -5.665 -8.206 591 HZ PHE 76 HZ PHE 76 3.384 -6.256 -6.565 592 HA PRO 77 HA PRO 77 5.772 -10.095 -15.895 593 1HB PRO 77 2HB PRO 77 7.290 -12.340 -14.755 594 2HB PRO 77 1HB PRO 77 7.879 -10.992 -15.729 595 1HG PRO 77 2HG PRO 77 7.735 -11.300 -12.736 596 2HG PRO 77 1HG PRO 77 8.788 -10.241 -13.660 597 1HD PRO 77 2HD PRO 77 6.778 -9.261 -12.229 598 2HD PRO 77 1HD PRO 77 7.086 -8.537 -13.822 599 H ALA 78 H ALA 78 4.882 -12.449 -13.655 600 HA ALA 78 HA ALA 78 2.572 -13.664 -14.253 601 1HB ALA 78 1HB ALA 78 4.568 -14.810 -16.298 602 2HB ALA 78 3HB ALA 78 2.954 -15.443 -16.019 603 3HB ALA 78 2HB ALA 78 3.158 -13.845 -16.712 604 H ASP 79 H ASP 79 4.438 -13.448 -12.469 605 HA ASP 79 HA ASP 79 5.229 -16.109 -11.422 606 1HB ASP 79 2HB ASP 79 6.992 -14.704 -10.238 607 2HB ASP 79 1HB ASP 79 7.062 -14.503 -11.976 608 H ALA 80 H ALA 80 4.446 -12.995 -10.280 609 HA ALA 80 HA ALA 80 3.641 -12.958 -7.759 610 1HB ALA 80 2HB ALA 80 3.772 -11.123 -9.280 611 2HB ALA 80 1HB ALA 80 2.305 -11.658 -10.098 612 3HB ALA 80 3HB ALA 80 2.217 -11.042 -8.449 613 HA PRO 81 HA PRO 81 -0.260 -15.291 -7.461 614 1HB PRO 81 2HB PRO 81 0.512 -17.576 -6.469 615 2HB PRO 81 1HB PRO 81 1.099 -17.098 -8.066 616 1HG PRO 81 2HG PRO 81 2.635 -16.949 -5.410 617 2HG PRO 81 1HG PRO 81 3.256 -17.367 -7.015 618 1HD PRO 81 2HD PRO 81 3.188 -14.690 -5.780 619 2HD PRO 81 1HD PRO 81 3.859 -15.138 -7.361 620 H ALA 82 H ALA 82 -1.047 -16.601 -5.420 621 HA ALA 82 HA ALA 82 -2.340 -16.084 -3.504 622 1HB ALA 82 1HB ALA 82 0.542 -16.442 -2.634 623 2HB ALA 82 3HB ALA 82 -0.843 -16.693 -1.567 624 3HB ALA 82 2HB ALA 82 -0.620 -17.725 -2.984 625 H GLY 83 H GLY 83 -2.484 -13.827 -4.340 626 1HA GLY 83 2HA GLY 83 -1.841 -11.510 -4.003 627 2HA GLY 83 1HA GLY 83 -3.419 -11.872 -3.369 628 H GLU 84 H GLU 84 -1.579 -12.682 -0.751 629 HA GLU 84 HA GLU 84 -2.133 -10.101 0.365 630 1HB GLU 84 2HB GLU 84 -1.592 -12.601 1.447 631 2HB GLU 84 1HB GLU 84 -0.049 -11.817 1.714 632 1HG GLU 84 2HG GLU 84 -2.152 -9.977 2.535 633 2HG GLU 84 1HG GLU 84 -2.474 -11.498 3.262 634 H TYR 85 H TYR 85 -0.839 -8.744 -1.439 635 HA TYR 85 HA TYR 85 2.054 -8.483 -0.676 636 1HB TYR 85 2HB TYR 85 0.415 -7.409 -2.921 637 2HB TYR 85 1HB TYR 85 2.127 -7.068 -2.809 638 HD1 TYR 85 HD2 TYR 85 0.937 -10.510 -2.081 639 HD2 TYR 85 HD1 TYR 85 2.300 -7.849 -5.111 640 HE1 TYR 85 HE2 TYR 85 1.315 -12.386 -3.568 641 HE2 TYR 85 HE1 TYR 85 2.669 -9.782 -6.592 642 HH TYR 85 HH TYR 85 1.461 -12.845 -5.744 643 H THR 86 H THR 86 2.943 -6.297 -0.160 644 HA THR 86 HA THR 86 0.875 -4.176 0.305 645 HB THR 86 HB THR 86 2.849 -4.813 2.575 646 HG1 THR 86 HG1 THR 86 1.337 -6.102 3.122 647 1HG2 THR 86 2HG2 THR 86 0.179 -3.295 2.380 648 2HG2 THR 86 1HG2 THR 86 1.232 -3.376 3.782 649 3HG2 THR 86 3HG2 THR 86 1.709 -2.442 2.373 650 H PHE 87 H PHE 87 1.465 -2.318 -0.342 651 HA PHE 87 HA PHE 87 4.316 -1.650 -0.626 652 1HB PHE 87 2HB PHE 87 3.258 0.080 -2.316 653 2HB PHE 87 1HB PHE 87 3.849 -1.511 -2.749 654 HD1 PHE 87 HD2 PHE 87 2.316 -3.326 -2.983 655 HD2 PHE 87 HD1 PHE 87 0.939 0.632 -2.413 656 HE1 PHE 87 HE2 PHE 87 0.174 -3.995 -3.809 657 HE2 PHE 87 HE1 PHE 87 -1.258 0.010 -3.259 658 HZ PHE 87 HZ PHE 87 -1.704 -2.309 -3.979 659 H TYR 88 H TYR 88 4.975 0.040 0.758 660 HA TYR 88 HA TYR 88 2.938 2.026 1.548 661 1HB TYR 88 2HB TYR 88 4.499 2.501 3.464 662 2HB TYR 88 1HB TYR 88 3.698 0.936 3.508 663 HD1 TYR 88 HD1 TYR 88 4.914 -1.079 2.655 664 HD2 TYR 88 HD2 TYR 88 6.910 2.571 3.499 665 HE1 TYR 88 HE1 TYR 88 7.007 -2.260 2.774 666 HE2 TYR 88 HE2 TYR 88 9.060 1.345 3.616 667 HH TYR 88 HH TYR 88 9.246 -2.014 2.674 668 H CYS 89 H CYS 89 3.361 4.142 1.339 669 HA CYS 89 HA CYS 89 5.441 4.924 -0.614 670 1HB CYS 89 2HB CYS 89 3.117 5.738 -0.608 671 2HB CYS 89 1HB CYS 89 3.404 6.396 0.991 672 H GLU 90 H GLU 90 7.187 4.242 0.743 673 HA GLU 90 HA GLU 90 8.375 4.542 3.002 674 1HB GLU 90 2HB GLU 90 9.570 4.270 0.858 675 2HB GLU 90 1HB GLU 90 9.521 5.952 0.516 676 1HG GLU 90 2HG GLU 90 10.826 4.902 3.088 677 2HG GLU 90 1HG GLU 90 11.699 4.943 1.578 678 HA PRO 91 HA PRO 91 9.222 9.000 4.083 679 1HB PRO 91 2HB PRO 91 8.699 11.129 2.493 680 2HB PRO 91 1HB PRO 91 10.020 9.995 2.136 681 1HG PRO 91 2HG PRO 91 7.134 9.751 1.039 682 2HG PRO 91 1HG PRO 91 8.604 9.996 0.085 683 1HD PRO 91 2HD PRO 91 7.851 7.464 0.509 684 2HD PRO 91 1HD PRO 91 9.548 7.908 0.786 685 H HIS 92 HN HIP 92 6.314 8.134 2.972 686 HA HIS 92 HA HIP 92 4.685 9.878 4.799 687 1HB HIS 92 2HB HIP 92 3.742 8.326 2.325 688 2HB HIS 92 1HB HIP 92 2.778 9.441 3.271 689 HD2 HIS 92 HD2 HIP 92 5.532 11.662 3.175 690 HE1 HIS 92 HE1 HIP 92 4.095 12.059 -0.728 691 HE2 HIS 92 HE2 HIP 92 5.484 13.038 1.006 692 H ARG 93 H ARG 93 5.161 6.634 3.725 693 HA ARG 93 HA ARG 93 3.739 4.671 4.431 694 1HB ARG 93 2HB ARG 93 6.259 4.577 4.579 695 2HB ARG 93 1HB ARG 93 6.217 5.181 6.192 696 1HG ARG 93 2HG ARG 93 4.888 2.919 6.845 697 2HG ARG 93 1HG ARG 93 5.268 2.347 5.250 698 1HD ARG 93 2HD ARG 93 7.716 2.864 5.691 699 2HD ARG 93 1HD ARG 93 7.290 3.223 7.340 700 HE ARG 93 HE ARG 93 7.871 0.855 7.464 701 1HH1 ARG 93 2HH1 ARG 93 4.827 0.560 7.335 702 2HH1 ARG 93 1HH1 ARG 93 4.917 -0.949 6.447 703 1HH2 ARG 93 1HH2 ARG 93 8.000 -0.594 5.391 704 2HH2 ARG 93 2HH2 ARG 93 6.589 -1.554 5.483 705 H GLY 94 H GLY 94 4.811 4.744 7.530 706 1HA GLY 94 2HA GLY 94 2.695 3.967 9.020 707 2HA GLY 94 1HA GLY 94 3.812 5.128 9.686 708 H ALA 95 H ALA 95 3.159 7.395 8.607 709 HA ALA 95 HA ALA 95 0.340 7.844 9.511 710 1HB ALA 95 1HB ALA 95 2.090 8.758 10.950 711 2HB ALA 95 3HB ALA 95 2.769 9.625 9.573 712 3HB ALA 95 2HB ALA 95 1.184 10.071 10.183 713 H GLY 96 H GLY 96 1.279 7.316 6.810 714 1HA GLY 96 2HA GLY 96 -0.140 9.619 5.511 715 2HA GLY 96 1HA GLY 96 1.419 9.182 4.889 716 H MET 97 H MET 97 1.327 6.593 4.434 717 HA MET 97 HA MET 97 -1.197 5.704 3.310 718 1HB MET 97 2HB MET 97 -0.889 6.212 0.933 719 2HB MET 97 1HB MET 97 -0.821 7.656 1.888 720 1HG MET 97 2HG MET 97 1.735 7.273 1.961 721 2HG MET 97 1HG MET 97 1.402 6.242 0.588 722 1HE MET 97 3HE MET 97 -0.705 7.387 -0.953 723 2HE MET 97 2HE MET 97 -0.131 8.677 -1.972 724 3HE MET 97 1HE MET 97 0.766 7.159 -1.913 725 H VAL 98 H VAL 98 -1.206 3.620 3.405 726 HA VAL 98 HA VAL 98 0.961 1.917 2.286 727 HB VAL 98 HB VAL 98 0.177 0.282 3.877 728 1HG1 VAL 98 2HG1 VAL 98 2.065 1.868 4.452 729 2HG1 VAL 98 1HG1 VAL 98 0.893 3.002 5.091 730 3HG1 VAL 98 3HG1 VAL 98 1.132 1.460 5.882 731 1HG2 VAL 98 2HG2 VAL 98 -2.140 1.065 4.255 732 2HG2 VAL 98 1HG2 VAL 98 -1.265 0.990 5.765 733 3HG2 VAL 98 3HG2 VAL 98 -1.542 2.535 4.998 734 H GLY 99 H GLY 99 0.288 0.479 0.533 735 1HA GLY 99 2HA GLY 99 -2.678 0.061 0.115 736 2HA GLY 99 1HA GLY 99 -1.548 0.235 -1.208 737 H LYS 100 H LYS 100 -3.368 -1.979 -0.639 738 HA LYS 100 HA LYS 100 -1.342 -4.184 -0.420 739 1HB LYS 100 2HB LYS 100 -2.593 -3.772 1.694 740 2HB LYS 100 1HB LYS 100 -4.094 -4.120 0.868 741 1HG LYS 100 2HG LYS 100 -3.805 -6.360 1.044 742 2HG LYS 100 1HG LYS 100 -2.197 -6.322 0.419 743 1HD LYS 100 2HD LYS 100 -1.517 -5.411 2.867 744 2HD LYS 100 1HD LYS 100 -3.117 -5.965 3.332 745 1HE LYS 100 2HE LYS 100 -1.663 -7.862 3.766 746 2HE LYS 100 1HE LYS 100 -2.537 -8.156 2.262 747 1HZ LYS 100 1HZ LYS 100 -0.225 -6.616 1.706 748 2HZ LYS 100 3HZ LYS 100 0.264 -7.990 2.587 749 3HZ LYS 100 2HZ LYS 100 -0.576 -8.154 1.151 750 H ILE 101 H ILE 101 -1.534 -4.001 -2.865 751 HA ILE 101 HA ILE 101 -3.743 -4.949 -4.393 752 HB ILE 101 HB ILE 101 -1.258 -4.131 -5.198 753 1HG1 ILE 101 2HG1 ILE 101 -2.717 -6.287 -6.690 754 2HG1 ILE 101 1HG1 ILE 101 -2.887 -4.561 -6.892 755 1HG2 ILE 101 2HG2 ILE 101 -0.139 -6.014 -4.024 756 2HG2 ILE 101 1HG2 ILE 101 -0.888 -7.164 -5.124 757 3HG2 ILE 101 3HG2 ILE 101 0.292 -6.011 -5.712 758 1HD1 ILE 101 1HD1 ILE 101 -0.385 -4.441 -7.610 759 2HD1 ILE 101 3HD1 ILE 101 -0.349 -6.198 -7.553 760 3HD1 ILE 101 2HD1 ILE 101 -1.305 -5.401 -8.729 761 H THR 102 H THR 102 -4.787 -6.733 -4.376 762 HA THR 102 HA THR 102 -3.762 -9.151 -2.876 763 HB THR 102 HB THR 102 -6.680 -8.631 -3.433 764 HG1 THR 102 HG1 THR 102 -4.998 -7.204 -1.805 765 1HG2 THR 102 2HG2 THR 102 -5.122 -9.939 -1.141 766 2HG2 THR 102 1HG2 THR 102 -6.860 -9.960 -1.323 767 3HG2 THR 102 3HG2 THR 102 -5.852 -10.864 -2.443 768 H VAL 103 H VAL 103 -2.717 -10.208 -4.656 769 HA VAL 103 HA VAL 103 -3.918 -10.540 -7.187 770 HB VAL 103 HB VAL 103 -2.264 -12.666 -5.760 771 1HG1 VAL 103 3HG1 VAL 103 -2.497 -11.969 -8.657 772 2HG1 VAL 103 2HG1 VAL 103 -1.449 -13.181 -7.914 773 3HG1 VAL 103 1HG1 VAL 103 -3.164 -13.377 -7.822 774 1HG2 VAL 103 3HG2 VAL 103 -1.201 -10.204 -7.210 775 2HG2 VAL 103 2HG2 VAL 103 -1.013 -10.481 -5.511 776 3HG2 VAL 103 1HG2 VAL 103 -0.250 -11.556 -6.655 777 H ALA 104 H ALA 104 -5.271 -11.837 -8.096 778 HA ALA 104 HA ALA 104 -7.167 -13.435 -6.453 779 1HB ALA 104 3HB ALA 104 -7.963 -11.691 -8.125 780 2HB ALA 104 2HB ALA 104 -7.173 -12.586 -9.403 781 3HB ALA 104 1HB ALA 104 -8.541 -13.295 -8.571 782 H GLY 105 HN GLY 105 -5.107 -14.590 -6.155 783 1HA GLY 105 2HA GLY 105 -4.908 -17.132 -6.350 784 2HA GLY 105 1HA GLY 105 -4.481 -16.783 -8.042 No H/Q in entry = 784 Start of MODEL 3 1 1H GLU 1 1H GLU 1 -0.632 -1.799 -17.617 2 2H GLU 1 3H GLU 1 -0.435 -1.487 -19.236 3 3H GLU 1 2H GLU 1 -0.315 -0.222 -18.109 4 HA GLU 1 HA GLU 1 -2.475 0.203 -18.410 5 1HB GLU 1 2HB GLU 1 -3.880 -1.264 -19.908 6 2HB GLU 1 1HB GLU 1 -2.350 -0.886 -20.697 7 1HG GLU 1 2HG GLU 1 -3.306 -3.538 -19.462 8 2HG GLU 1 1HG GLU 1 -2.572 -3.293 -21.032 9 H THR 2 H THR 2 -1.772 -1.254 -16.024 10 HA THR 2 HA THR 2 -3.970 -3.099 -15.482 11 HB THR 2 HB THR 2 -1.595 -2.822 -14.243 12 HG1 THR 2 HG1 THR 2 -2.654 -4.332 -13.196 13 1HG2 THR 2 3HG2 THR 2 -2.484 -0.629 -12.840 14 2HG2 THR 2 2HG2 THR 2 -3.585 -1.758 -12.119 15 3HG2 THR 2 1HG2 THR 2 -1.905 -2.039 -11.956 16 H TYR 3 H TYR 3 -4.814 -2.603 -13.307 17 HA TYR 3 HA TYR 3 -7.051 -0.643 -13.494 18 1HB TYR 3 2HB TYR 3 -6.531 -2.492 -11.080 19 2HB TYR 3 1HB TYR 3 -8.077 -2.226 -11.889 20 HD1 TYR 3 HD1 TYR 3 -8.371 -3.366 -14.277 21 HD2 TYR 3 HD2 TYR 3 -5.082 -4.174 -11.721 22 HE1 TYR 3 HE1 TYR 3 -7.742 -5.335 -15.659 23 HE2 TYR 3 HE2 TYR 3 -4.490 -6.045 -13.064 24 HH TYR 3 HH TYR 3 -4.734 -6.914 -15.160 25 H THR 4 H THR 4 -5.390 0.961 -13.616 26 HA THR 4 HA THR 4 -3.375 1.628 -11.871 27 HB THR 4 HB THR 4 -3.594 3.983 -12.820 28 HG1 THR 4 HG1 THR 4 -6.149 3.364 -12.401 29 1HG2 THR 4 3HG2 THR 4 -3.323 2.275 -14.751 30 2HG2 THR 4 2HG2 THR 4 -5.074 2.248 -14.851 31 3HG2 THR 4 1HG2 THR 4 -4.210 3.730 -15.148 32 H VAL 5 H VAL 5 -2.891 2.592 -10.161 33 HA VAL 5 HA VAL 5 -5.176 3.378 -8.364 34 HB VAL 5 HB VAL 5 -3.907 1.387 -7.687 35 1HG1 VAL 5 2HG1 VAL 5 -1.533 3.282 -7.523 36 2HG1 VAL 5 1HG1 VAL 5 -1.549 1.623 -6.950 37 3HG1 VAL 5 3HG1 VAL 5 -1.694 1.957 -8.661 38 1HG2 VAL 5 1HG2 VAL 5 -4.836 2.866 -5.895 39 2HG2 VAL 5 3HG2 VAL 5 -3.341 2.128 -5.366 40 3HG2 VAL 5 2HG2 VAL 5 -3.358 3.802 -5.880 41 H LYS 6 H LYS 6 -4.984 5.242 -7.154 42 HA LYS 6 HA LYS 6 -2.978 7.264 -8.131 43 1HB LYS 6 2HB LYS 6 -5.748 7.646 -6.949 44 2HB LYS 6 1HB LYS 6 -4.699 8.938 -7.490 45 1HG LYS 6 2HG LYS 6 -4.878 8.199 -9.835 46 2HG LYS 6 1HG LYS 6 -5.613 6.692 -9.343 47 1HD LYS 6 2HD LYS 6 -7.452 8.210 -10.108 48 2HD LYS 6 1HD LYS 6 -7.595 7.818 -8.420 49 1HE LYS 6 2HE LYS 6 -8.104 10.146 -8.658 50 2HE LYS 6 1HE LYS 6 -6.610 9.972 -7.755 51 1HZ LYS 6 2HZ LYS 6 -5.922 10.025 -10.478 52 2HZ LYS 6 1HZ LYS 6 -6.970 11.350 -10.162 53 3HZ LYS 6 3HZ LYS 6 -5.608 11.192 -9.259 54 H LEU 7 H LEU 7 -1.462 7.864 -6.778 55 HA LEU 7 HA LEU 7 -1.958 7.569 -3.833 56 1HB LEU 7 2HB LEU 7 0.676 7.929 -3.821 57 2HB LEU 7 1HB LEU 7 0.020 6.363 -4.250 58 HG LEU 7 HG LEU 7 0.351 8.249 -6.458 59 1HD1 LEU 7 3HD1 LEU 7 2.681 6.926 -5.032 60 2HD1 LEU 7 2HD1 LEU 7 2.782 7.703 -6.609 61 3HD1 LEU 7 1HD1 LEU 7 2.318 8.652 -5.206 62 1HD2 LEU 7 1HD2 LEU 7 1.103 5.318 -5.990 63 2HD2 LEU 7 3HD2 LEU 7 -0.391 5.866 -6.742 64 3HD2 LEU 7 2HD2 LEU 7 1.144 6.132 -7.551 65 H GLY 8 H GLY 8 -3.040 9.182 -3.505 66 1HA GLY 8 2HA GLY 8 -2.699 11.447 -2.316 67 2HA GLY 8 1HA GLY 8 -2.099 12.012 -3.872 68 H SER 9 H SER 9 -4.731 9.855 -3.197 69 HA SER 9 HA SER 9 -6.685 10.089 -4.809 70 1HB SER 9 2HB SER 9 -6.980 10.528 -1.859 71 2HB SER 9 1HB SER 9 -8.370 10.238 -2.900 72 HG SER 9 HG SER 9 -7.620 8.369 -3.476 73 H ASP 10 H ASP 10 -6.134 12.004 -5.932 74 HA ASP 10 HA ASP 10 -6.368 14.444 -6.176 75 1HB ASP 10 2HB ASP 10 -8.315 12.523 -7.467 76 2HB ASP 10 1HB ASP 10 -8.287 14.175 -8.028 77 H LYS 11 H LYS 11 -9.522 13.291 -5.189 78 HA LYS 11 HA LYS 11 -10.185 16.138 -4.512 79 1HB LYS 11 2HB LYS 11 -11.423 15.197 -6.341 80 2HB LYS 11 1HB LYS 11 -11.956 13.865 -5.367 81 1HG LYS 11 2HG LYS 11 -13.776 15.430 -5.647 82 2HG LYS 11 1HG LYS 11 -13.341 15.392 -3.968 83 1HD LYS 11 2HD LYS 11 -12.175 17.492 -5.895 84 2HD LYS 11 1HD LYS 11 -13.766 17.754 -5.246 85 1HE LYS 11 2HE LYS 11 -11.164 17.587 -3.628 86 2HE LYS 11 1HE LYS 11 -12.116 19.015 -3.966 87 1HZ LYS 11 2HZ LYS 11 -13.846 17.031 -2.978 88 2HZ LYS 11 1HZ LYS 11 -12.511 17.026 -1.984 89 3HZ LYS 11 3HZ LYS 11 -13.416 18.463 -2.157 90 H GLY 12 H GLY 12 -9.457 13.409 -2.792 91 1HA GLY 12 2HA GLY 12 -11.216 14.178 -0.449 92 2HA GLY 12 1HA GLY 12 -10.714 12.535 -0.748 93 H LEU 13 H LEU 13 -8.299 12.192 -0.583 94 HA LEU 13 HA LEU 13 -6.918 14.077 1.227 95 1HB LEU 13 2HB LEU 13 -8.380 12.720 2.679 96 2HB LEU 13 1HB LEU 13 -7.734 11.234 2.032 97 HG LEU 13 HG LEU 13 -5.516 11.715 3.097 98 1HD1 LEU 13 2HD1 LEU 13 -6.981 14.182 4.188 99 2HD1 LEU 13 1HD1 LEU 13 -5.351 13.696 4.605 100 3HD1 LEU 13 3HD1 LEU 13 -5.706 14.288 2.997 101 1HD2 LEU 13 1HD2 LEU 13 -7.303 10.560 4.377 102 2HD2 LEU 13 3HD2 LEU 13 -6.298 11.540 5.423 103 3HD2 LEU 13 2HD2 LEU 13 -7.890 12.106 4.957 104 H LEU 14 H LEU 14 -4.656 12.981 1.917 105 HA LEU 14 HA LEU 14 -3.394 12.254 -0.665 106 1HB LEU 14 2HB LEU 14 -2.210 12.744 2.098 107 2HB LEU 14 1HB LEU 14 -1.265 12.498 0.654 108 HG LEU 14 HG LEU 14 -3.212 14.815 1.116 109 1HD1 LEU 14 1HD1 LEU 14 -1.046 14.922 2.365 110 2HD1 LEU 14 3HD1 LEU 14 -0.172 14.655 0.871 111 3HD1 LEU 14 2HD1 LEU 14 -1.093 16.129 1.095 112 1HD2 LEU 14 3HD2 LEU 14 -1.346 14.210 -1.236 113 2HD2 LEU 14 2HD2 LEU 14 -3.101 14.165 -1.317 114 3HD2 LEU 14 1HD2 LEU 14 -2.284 15.678 -1.028 115 H VAL 15 H VAL 15 -4.932 10.292 -0.323 116 HA VAL 15 HA VAL 15 -3.422 7.996 0.894 117 HB VAL 15 HB VAL 15 -5.588 6.852 1.103 118 1HG1 VAL 15 1HG1 VAL 15 -4.846 8.370 2.909 119 2HG1 VAL 15 3HG1 VAL 15 -5.664 9.711 2.130 120 3HG1 VAL 15 2HG1 VAL 15 -6.597 8.371 2.771 121 1HG2 VAL 15 3HG2 VAL 15 -6.794 9.393 -0.082 122 2HG2 VAL 15 2HG2 VAL 15 -6.753 7.833 -0.872 123 3HG2 VAL 15 1HG2 VAL 15 -7.696 8.047 0.580 124 H PHE 16 H PHE 16 -4.444 5.880 -0.242 125 HA PHE 16 HA PHE 16 -3.582 5.980 -3.105 126 1HB PHE 16 2HB PHE 16 -3.570 3.787 -1.006 127 2HB PHE 16 1HB PHE 16 -3.367 3.409 -2.691 128 HD1 PHE 16 HD2 PHE 16 -1.642 6.477 -2.200 129 HD2 PHE 16 HD1 PHE 16 -1.477 2.324 -1.443 130 HE1 PHE 16 HE2 PHE 16 0.822 6.594 -2.041 131 HE2 PHE 16 HE1 PHE 16 0.961 2.421 -1.267 132 HZ PHE 16 HZ PHE 16 2.117 4.544 -1.584 133 H GLU 17 H GLU 17 -6.321 6.708 -3.256 134 HA GLU 17 HA GLU 17 -8.079 4.507 -3.247 135 1HB GLU 17 2HB GLU 17 -9.481 5.953 -4.742 136 2HB GLU 17 1HB GLU 17 -8.813 6.836 -3.405 137 1HG GLU 17 2HG GLU 17 -6.885 7.539 -5.126 138 2HG GLU 17 1HG GLU 17 -7.964 6.913 -6.344 139 HA PRO 18 HA PRO 18 -9.540 3.274 -3.953 140 1HB PRO 18 2HB PRO 18 -10.532 1.061 -4.914 141 2HB PRO 18 1HB PRO 18 -10.537 2.523 -5.918 142 1HG PRO 18 2HG PRO 18 -8.509 0.209 -5.960 143 2HG PRO 18 1HG PRO 18 -9.351 0.918 -7.337 144 1HD PRO 18 2HD PRO 18 -6.771 1.713 -6.501 145 2HD PRO 18 1HD PRO 18 -7.845 2.741 -7.463 146 H ALA 19 H ALA 19 -6.744 2.382 -3.283 147 HA ALA 19 HA ALA 19 -5.618 1.341 -1.569 148 1HB ALA 19 1HB ALA 19 -7.515 2.134 -0.203 149 2HB ALA 19 3HB ALA 19 -8.463 0.715 -0.607 150 3HB ALA 19 2HB ALA 19 -7.018 0.554 0.369 151 H LYS 20 H LYS 20 -8.180 -0.839 -2.506 152 HA LYS 20 HA LYS 20 -6.226 -3.138 -2.370 153 1HB LYS 20 2HB LYS 20 -8.082 -3.224 -0.766 154 2HB LYS 20 1HB LYS 20 -9.233 -3.202 -2.091 155 1HG LYS 20 2HG LYS 20 -8.381 -5.323 -2.984 156 2HG LYS 20 1HG LYS 20 -7.050 -5.327 -1.850 157 1HD LYS 20 2HD LYS 20 -8.732 -5.519 0.066 158 2HD LYS 20 1HD LYS 20 -10.038 -5.470 -1.100 159 1HE LYS 20 2HE LYS 20 -9.585 -7.807 -0.409 160 2HE LYS 20 1HE LYS 20 -9.223 -7.585 -2.121 161 1HZ LYS 20 1HZ LYS 20 -6.912 -6.851 -0.652 162 2HZ LYS 20 3HZ LYS 20 -7.299 -8.352 -0.112 163 3HZ LYS 20 2HZ LYS 20 -7.071 -8.005 -1.752 164 H LEU 21 H LEU 21 -5.537 -3.858 -4.212 165 HA LEU 21 HA LEU 21 -7.269 -3.854 -6.664 166 1HB LEU 21 2HB LEU 21 -5.083 -2.530 -6.639 167 2HB LEU 21 1HB LEU 21 -4.271 -4.061 -6.591 168 HG LEU 21 HG LEU 21 -5.792 -2.803 -8.886 169 1HD1 LEU 21 1HD1 LEU 21 -3.329 -4.540 -8.630 170 2HD1 LEU 21 3HD1 LEU 21 -3.886 -3.895 -10.147 171 3HD1 LEU 21 2HD1 LEU 21 -3.359 -2.817 -8.871 172 1HD2 LEU 21 2HD2 LEU 21 -5.612 -5.872 -8.724 173 2HD2 LEU 21 1HD2 LEU 21 -7.102 -4.977 -8.732 174 3HD2 LEU 21 3HD2 LEU 21 -6.078 -4.988 -10.124 175 H THR 22 H THR 22 -8.177 -5.969 -6.816 176 HA THR 22 HA THR 22 -6.391 -8.279 -6.236 177 HB THR 22 HB THR 22 -9.337 -8.190 -7.116 178 HG1 THR 22 HG1 THR 22 -7.834 -8.368 -4.724 179 1HG2 THR 22 3HG2 THR 22 -7.625 -10.589 -6.213 180 2HG2 THR 22 2HG2 THR 22 -9.327 -10.598 -6.605 181 3HG2 THR 22 1HG2 THR 22 -8.136 -10.355 -7.868 182 H ILE 23 H ILE 23 -4.916 -8.566 -7.723 183 HA ILE 23 HA ILE 23 -5.464 -8.245 -10.583 184 HB ILE 23 HB ILE 23 -3.021 -8.310 -10.907 185 1HG1 ILE 23 2HG1 ILE 23 -2.466 -8.311 -7.978 186 2HG1 ILE 23 1HG1 ILE 23 -2.842 -9.840 -8.717 187 1HG2 ILE 23 1HG2 ILE 23 -4.110 -6.215 -10.404 188 2HG2 ILE 23 3HG2 ILE 23 -3.775 -6.490 -8.688 189 3HG2 ILE 23 2HG2 ILE 23 -2.469 -6.277 -9.839 190 1HD1 ILE 23 1HD1 ILE 23 -0.733 -7.978 -9.835 191 2HD1 ILE 23 3HD1 ILE 23 -0.400 -9.409 -8.866 192 3HD1 ILE 23 2HD1 ILE 23 -1.163 -9.566 -10.426 193 H LYS 24 H LYS 24 -3.897 -9.687 -11.951 194 HA LYS 24 HA LYS 24 -4.853 -12.337 -11.347 195 1HB LYS 24 2HB LYS 24 -3.193 -11.787 -13.886 196 2HB LYS 24 1HB LYS 24 -4.491 -12.933 -13.695 197 1HG LYS 24 2HG LYS 24 -4.738 -9.982 -14.266 198 2HG LYS 24 1HG LYS 24 -5.331 -11.357 -15.124 199 1HD LYS 24 2HD LYS 24 -7.076 -11.872 -13.707 200 2HD LYS 24 1HD LYS 24 -6.384 -11.085 -12.327 201 1HE LYS 24 2HE LYS 24 -7.514 -9.679 -14.723 202 2HE LYS 24 1HE LYS 24 -8.326 -9.923 -13.166 203 1HZ LYS 24 1HZ LYS 24 -5.682 -9.054 -12.736 204 2HZ LYS 24 3HZ LYS 24 -6.263 -8.001 -13.810 205 3HZ LYS 24 2HZ LYS 24 -7.047 -8.179 -12.295 206 HA PRO 25 HA PRO 25 -0.745 -14.116 -10.262 207 1HB PRO 25 2HB PRO 25 -0.697 -16.397 -11.821 208 2HB PRO 25 1HB PRO 25 -1.649 -16.256 -10.338 209 1HG PRO 25 2HG PRO 25 -2.599 -15.625 -13.204 210 2HG PRO 25 1HG PRO 25 -3.344 -16.768 -12.076 211 1HD PRO 25 2HD PRO 25 -4.374 -14.356 -12.170 212 2HD PRO 25 1HD PRO 25 -3.968 -14.951 -10.552 213 H GLY 26 H GLY 26 0.019 -12.063 -11.409 214 1HA GLY 26 2HA GLY 26 2.240 -11.650 -12.520 215 2HA GLY 26 1HA GLY 26 1.822 -12.850 -13.728 216 H ASP 27 H ASP 27 0.006 -10.262 -12.378 217 HA ASP 27 HA ASP 27 -0.738 -9.182 -15.030 218 1HB ASP 27 2HB ASP 27 -2.286 -9.942 -13.109 219 2HB ASP 27 1HB ASP 27 -1.666 -8.570 -12.222 220 H THR 28 H THR 28 -1.081 -6.732 -14.927 221 HA THR 28 HA THR 28 1.545 -5.498 -14.528 222 HB THR 28 HB THR 28 -0.885 -4.311 -15.915 223 HG1 THR 28 HG1 THR 28 0.058 -5.089 -17.616 224 1HG2 THR 28 1HG2 THR 28 1.098 -2.656 -15.290 225 2HG2 THR 28 3HG2 THR 28 2.119 -3.759 -16.199 226 3HG2 THR 28 2HG2 THR 28 0.840 -2.907 -17.002 227 H VAL 29 H VAL 29 1.897 -3.596 -13.484 228 HA VAL 29 HA VAL 29 -0.133 -2.774 -11.478 229 HB VAL 29 HB VAL 29 2.783 -2.810 -11.105 230 1HG1 VAL 29 1HG1 VAL 29 0.467 -2.036 -9.242 231 2HG1 VAL 29 3HG1 VAL 29 2.138 -2.196 -8.753 232 3HG1 VAL 29 2HG1 VAL 29 1.670 -0.914 -9.843 233 1HG2 VAL 29 2HG2 VAL 29 1.591 -5.036 -11.052 234 2HG2 VAL 29 1HG2 VAL 29 2.159 -4.540 -9.472 235 3HG2 VAL 29 3HG2 VAL 29 0.454 -4.383 -9.891 236 H GLU 30 H GLU 30 -0.810 -0.524 -11.953 237 HA GLU 30 HA GLU 30 1.133 1.320 -13.178 238 1HB GLU 30 2HB GLU 30 -1.824 1.874 -13.162 239 2HB GLU 30 1HB GLU 30 -0.614 2.441 -14.276 240 1HG GLU 30 2HG GLU 30 -1.086 -0.519 -14.234 241 2HG GLU 30 1HG GLU 30 -2.329 0.473 -14.948 242 H PHE 31 H PHE 31 1.987 2.629 -11.635 243 HA PHE 31 HA PHE 31 0.319 3.676 -9.373 244 1HB PHE 31 2HB PHE 31 3.316 3.210 -9.656 245 2HB PHE 31 1HB PHE 31 2.682 4.216 -8.380 246 HD1 PHE 31 HD1 PHE 31 0.519 2.910 -7.175 247 HD2 PHE 31 HD2 PHE 31 3.954 1.120 -8.897 248 HE1 PHE 31 HE1 PHE 31 0.224 0.937 -5.725 249 HE2 PHE 31 HE2 PHE 31 3.669 -0.835 -7.441 250 HZ PHE 31 HZ PHE 31 1.793 -0.926 -5.850 251 H LEU 32 H LEU 32 -0.450 5.712 -9.803 252 HA LEU 32 HA LEU 32 1.321 7.595 -11.215 253 1HB LEU 32 2HB LEU 32 -1.013 6.858 -12.119 254 2HB LEU 32 1HB LEU 32 -1.679 7.814 -10.818 255 HG LEU 32 HG LEU 32 0.234 8.988 -12.908 256 1HD1 LEU 32 3HD1 LEU 32 -2.825 9.027 -12.788 257 2HD1 LEU 32 2HD1 LEU 32 -1.838 9.882 -13.963 258 3HD1 LEU 32 1HD1 LEU 32 -1.879 8.133 -13.958 259 1HD2 LEU 32 2HD2 LEU 32 -1.754 10.267 -10.982 260 2HD2 LEU 32 1HD2 LEU 32 -0.009 10.325 -10.815 261 3HD2 LEU 32 3HD2 LEU 32 -0.772 11.123 -12.162 262 H ASN 33 H ASN 33 2.115 9.263 -10.098 263 HA ASN 33 HA ASN 33 1.206 9.738 -7.252 264 1HB ASN 33 2HB ASN 33 3.399 10.593 -6.860 265 2HB ASN 33 1HB ASN 33 3.668 9.246 -7.945 266 1HD2 ASN 33 2HD2 ASN 33 5.275 12.504 -9.045 267 2HD2 ASN 33 1HD2 ASN 33 5.065 12.015 -7.429 268 H ASN 34 H ASN 34 -0.636 10.539 -8.370 269 HA ASN 34 HA ASN 34 -0.989 12.945 -9.698 270 1HB ASN 34 2HB ASN 34 -3.283 12.857 -8.421 271 2HB ASN 34 1HB ASN 34 -2.858 11.561 -9.513 272 1HD2 ASN 34 2HD2 ASN 34 -3.661 10.543 -5.828 273 2HD2 ASN 34 1HD2 ASN 34 -4.111 12.069 -6.446 274 H LYS 35 H LYS 35 -0.854 12.988 -6.121 275 HA LYS 35 HA LYS 35 -0.578 15.973 -6.348 276 1HB LYS 35 2HB LYS 35 -2.606 14.388 -4.811 277 2HB LYS 35 1HB LYS 35 -1.974 15.742 -3.938 278 1HG LYS 35 2HG LYS 35 -3.862 16.671 -4.949 279 2HG LYS 35 1HG LYS 35 -2.614 17.164 -6.079 280 1HD LYS 35 2HD LYS 35 -3.167 15.219 -7.557 281 2HD LYS 35 1HD LYS 35 -4.325 14.631 -6.378 282 1HE LYS 35 2HE LYS 35 -5.699 16.692 -6.760 283 2HE LYS 35 1HE LYS 35 -4.509 17.242 -7.947 284 1HZ LYS 35 3HZ LYS 35 -5.125 14.539 -8.517 285 2HZ LYS 35 2HZ LYS 35 -6.577 15.298 -8.355 286 3HZ LYS 35 1HZ LYS 35 -5.477 15.858 -9.496 287 H VAL 36 H VAL 36 -0.217 16.880 -4.033 288 HA VAL 36 HA VAL 36 1.995 17.390 -3.018 289 HB VAL 36 HB VAL 36 0.207 15.754 -1.234 290 1HG1 VAL 36 3HG1 VAL 36 2.193 17.978 -0.545 291 2HG1 VAL 36 2HG1 VAL 36 1.081 17.222 0.576 292 3HG1 VAL 36 1HG1 VAL 36 2.371 16.280 -0.136 293 1HG2 VAL 36 1HG2 VAL 36 0.213 18.755 -1.884 294 2HG2 VAL 36 3HG2 VAL 36 -1.018 17.616 -2.412 295 3HG2 VAL 36 2HG2 VAL 36 -0.830 17.974 -0.713 296 HA PRO 37 HA PRO 37 4.648 13.741 -3.328 297 1HB PRO 37 2HB PRO 37 7.023 15.024 -3.690 298 2HB PRO 37 1HB PRO 37 5.770 15.032 -4.937 299 1HG PRO 37 2HG PRO 37 6.277 17.091 -2.707 300 2HG PRO 37 1HG PRO 37 6.252 17.398 -4.445 301 1HD PRO 37 2HD PRO 37 4.035 17.789 -2.937 302 2HD PRO 37 1HD PRO 37 3.864 17.091 -4.570 303 HA PRO 38 HA PRO 38 6.707 12.937 -3.579 304 1HB PRO 38 2HB PRO 38 9.084 11.899 -3.075 305 2HB PRO 38 1HB PRO 38 8.880 13.649 -2.989 306 1HG PRO 38 2HG PRO 38 8.984 11.679 -0.660 307 2HG PRO 38 1HG PRO 38 9.720 13.275 -0.782 308 1HD PRO 38 2HD PRO 38 7.124 12.671 0.374 309 2HD PRO 38 1HD PRO 38 7.776 14.297 0.082 310 H HIS 39 HN HIP 39 6.294 10.894 -4.368 311 HA HIS 39 HA HIP 39 5.522 8.883 -2.241 312 1HB HIS 39 2HB HIP 39 4.255 9.117 -4.875 313 2HB HIS 39 1HB HIP 39 3.729 8.151 -3.515 314 HD2 HIS 39 HD2 HIP 39 3.388 11.547 -5.077 315 HE1 HIS 39 HE1 HIP 39 1.575 11.962 -1.368 316 HE2 HIS 39 HE2 HIP 39 1.971 12.933 -3.562 317 H ASN 40 H ASN 40 7.706 7.606 -2.419 318 HA ASN 40 HA ASN 40 7.727 5.884 -4.893 319 1HB ASN 40 2HB ASN 40 10.043 5.209 -3.932 320 2HB ASN 40 1HB ASN 40 9.946 6.909 -4.317 321 1HD2 ASN 40 2HD2 ASN 40 10.882 5.897 -0.639 322 2HD2 ASN 40 1HD2 ASN 40 10.932 4.819 -1.927 323 H VAL 41 H VAL 41 7.527 3.555 -4.570 324 HA VAL 41 HA VAL 41 6.286 2.921 -1.911 325 HB VAL 41 HB VAL 41 5.134 1.054 -3.026 326 1HG1 VAL 41 3HG1 VAL 41 4.662 3.835 -4.219 327 2HG1 VAL 41 2HG1 VAL 41 3.493 2.530 -4.211 328 3HG1 VAL 41 1HG1 VAL 41 4.010 3.249 -2.699 329 1HG2 VAL 41 3HG2 VAL 41 6.629 0.796 -5.056 330 2HG2 VAL 41 2HG2 VAL 41 4.970 1.087 -5.533 331 3HG2 VAL 41 1HG2 VAL 41 6.134 2.386 -5.615 332 H VAL 42 H VAL 42 7.000 1.651 -0.635 333 HA VAL 42 HA VAL 42 9.132 -0.304 -1.375 334 HB VAL 42 HB VAL 42 8.461 1.157 1.212 335 1HG1 VAL 42 3HG1 VAL 42 9.565 -1.158 1.586 336 2HG1 VAL 42 2HG1 VAL 42 10.922 -0.587 0.613 337 3HG1 VAL 42 1HG1 VAL 42 10.538 0.200 2.114 338 1HG2 VAL 42 1HG2 VAL 42 10.826 1.413 -0.704 339 2HG2 VAL 42 3HG2 VAL 42 9.537 2.574 -0.511 340 3HG2 VAL 42 2HG2 VAL 42 10.643 2.280 0.807 341 H PHE 43 H PHE 43 8.628 -2.337 -1.101 342 HA PHE 43 HA PHE 43 5.946 -3.202 -0.323 343 1HB PHE 43 2HB PHE 43 8.112 -4.356 -2.010 344 2HB PHE 43 1HB PHE 43 6.940 -5.443 -1.302 345 HD1 PHE 43 HD1 PHE 43 6.829 -1.983 -2.868 346 HD2 PHE 43 HD2 PHE 43 5.136 -5.886 -2.664 347 HE1 PHE 43 HE1 PHE 43 5.161 -1.349 -4.555 348 HE2 PHE 43 HE2 PHE 43 3.467 -5.243 -4.352 349 HZ PHE 43 HZ PHE 43 3.484 -2.973 -5.298 350 H ASP 44 H ASP 44 5.407 -4.344 1.343 351 HA ASP 44 HA ASP 44 6.970 -4.607 3.660 352 1HB ASP 44 2HB ASP 44 4.598 -4.223 3.703 353 2HB ASP 44 1HB ASP 44 4.286 -5.604 2.666 354 H ALA 45 H ALA 45 7.166 -6.391 4.964 355 HA ALA 45 HA ALA 45 8.384 -8.758 3.712 356 1HB ALA 45 3HB ALA 45 9.041 -7.327 6.290 357 2HB ALA 45 2HB ALA 45 9.862 -8.775 5.720 358 3HB ALA 45 1HB ALA 45 9.963 -7.283 4.794 359 H ALA 46 H ALA 46 5.627 -7.972 5.249 360 HA ALA 46 HA ALA 46 5.409 -10.394 6.981 361 1HB ALA 46 3HB ALA 46 3.687 -7.896 6.724 362 2HB ALA 46 2HB ALA 46 3.420 -9.180 7.891 363 3HB ALA 46 1HB ALA 46 4.877 -8.200 7.957 364 H LEU 47 H LEU 47 3.466 -8.740 4.545 365 HA LEU 47 HA LEU 47 1.958 -11.215 3.885 366 1HB LEU 47 2HB LEU 47 1.628 -8.306 3.074 367 2HB LEU 47 1HB LEU 47 0.562 -9.570 2.517 368 HG LEU 47 HG LEU 47 -0.575 -8.372 4.285 369 1HD1 LEU 47 1HD1 LEU 47 -0.852 -10.844 4.316 370 2HD1 LEU 47 3HD1 LEU 47 0.505 -10.978 5.418 371 3HD1 LEU 47 2HD1 LEU 47 -0.955 -10.174 5.936 372 1HD2 LEU 47 2HD2 LEU 47 1.460 -7.413 5.402 373 2HD2 LEU 47 1HD2 LEU 47 0.337 -8.130 6.546 374 3HD2 LEU 47 3HD2 LEU 47 1.780 -8.986 6.088 375 H ASN 48 H ASN 48 4.253 -11.833 2.991 376 HA ASN 48 HA ASN 48 4.190 -11.285 0.030 377 1HB ASN 48 2HB ASN 48 6.577 -11.055 -0.021 378 2HB ASN 48 1HB ASN 48 6.117 -10.234 1.452 379 1HD2 ASN 48 2HD2 ASN 48 8.675 -13.142 1.705 380 2HD2 ASN 48 1HD2 ASN 48 8.263 -12.502 0.202 381 HA PRO 49 HA PRO 49 2.215 -14.974 0.267 382 1HB PRO 49 2HB PRO 49 3.169 -16.354 -2.079 383 2HB PRO 49 1HB PRO 49 1.765 -15.308 -1.945 384 1HG PRO 49 2HG PRO 49 4.615 -14.483 -2.719 385 2HG PRO 49 1HG PRO 49 3.098 -13.992 -3.479 386 1HD PRO 49 2HD PRO 49 4.189 -12.274 -1.821 387 2HD PRO 49 1HD PRO 49 2.476 -12.648 -1.496 388 H ALA 50 H ALA 50 5.420 -16.059 -0.740 389 HA ALA 50 HA ALA 50 5.257 -18.336 1.195 390 1HB ALA 50 1HB ALA 50 6.015 -18.742 -1.186 391 2HB ALA 50 3HB ALA 50 7.336 -17.603 -0.941 392 3HB ALA 50 2HB ALA 50 7.306 -19.103 -0.045 393 H LYS 51 H LYS 51 5.212 -16.179 2.493 394 HA LYS 51 HA LYS 51 6.342 -14.488 3.698 395 1HB LYS 51 2HB LYS 51 5.240 -16.336 4.943 396 2HB LYS 51 1HB LYS 51 6.734 -17.230 4.936 397 1HG LYS 51 2HG LYS 51 6.381 -16.313 7.112 398 2HG LYS 51 1HG LYS 51 7.785 -15.544 6.490 399 1HD LYS 51 2HD LYS 51 4.933 -14.438 6.563 400 2HD LYS 51 1HD LYS 51 6.193 -13.977 7.674 401 1HE LYS 51 2HE LYS 51 5.691 -13.059 4.845 402 2HE LYS 51 1HE LYS 51 5.988 -12.166 6.297 403 1HZ LYS 51 3HZ LYS 51 8.314 -13.738 5.781 404 2HZ LYS 51 2HZ LYS 51 7.876 -12.844 4.415 405 3HZ LYS 51 1HZ LYS 51 8.111 -12.029 5.820 406 H SER 52 H SER 52 8.259 -14.966 1.816 407 HA SER 52 HA SER 52 10.916 -15.154 3.169 408 1HB SER 52 2HB SER 52 10.431 -16.456 1.121 409 2HB SER 52 1HB SER 52 10.131 -14.974 0.247 410 HG SER 52 HG SER 52 12.161 -15.395 -0.153 411 H ALA 53 H ALA 53 12.295 -13.622 1.402 412 HA ALA 53 HA ALA 53 11.692 -10.735 2.035 413 1HB ALA 53 1HB ALA 53 14.402 -12.180 2.003 414 2HB ALA 53 3HB ALA 53 14.194 -10.475 2.354 415 3HB ALA 53 2HB ALA 53 13.547 -11.682 3.451 416 H ASP 54 H ASP 54 13.031 -13.023 -0.068 417 HA ASP 54 HA ASP 54 14.268 -12.153 -2.188 418 1HB ASP 54 2HB ASP 54 12.735 -13.878 -3.413 419 2HB ASP 54 1HB ASP 54 13.476 -14.417 -1.929 420 H LEU 55 H LEU 55 10.950 -12.264 -2.869 421 HA LEU 55 HA LEU 55 11.025 -10.185 -4.898 422 1HB LEU 55 2HB LEU 55 9.516 -12.394 -4.553 423 2HB LEU 55 1HB LEU 55 8.447 -11.291 -3.717 424 HG LEU 55 HG LEU 55 9.388 -11.140 -6.612 425 1HD1 LEU 55 2HD1 LEU 55 7.531 -12.674 -6.122 426 2HD1 LEU 55 1HD1 LEU 55 6.641 -11.376 -5.340 427 3HD1 LEU 55 3HD1 LEU 55 6.971 -11.304 -7.060 428 1HD2 LEU 55 1HD2 LEU 55 7.711 -9.121 -5.059 429 2HD2 LEU 55 3HD2 LEU 55 9.323 -8.855 -5.712 430 3HD2 LEU 55 2HD2 LEU 55 7.980 -9.109 -6.795 431 H ALA 56 H ALA 56 9.682 -10.525 -1.687 432 HA ALA 56 HA ALA 56 8.322 -8.179 -1.111 433 1HB ALA 56 3HB ALA 56 8.846 -9.977 0.569 434 2HB ALA 56 2HB ALA 56 10.508 -9.449 0.639 435 3HB ALA 56 1HB ALA 56 9.236 -8.403 1.227 436 H LYS 57 H LYS 57 11.794 -8.453 -1.273 437 HA LYS 57 HA LYS 57 12.152 -5.484 -1.202 438 1HB LYS 57 2HB LYS 57 13.817 -7.955 -0.704 439 2HB LYS 57 1HB LYS 57 14.675 -6.690 -1.541 440 1HG LYS 57 2HG LYS 57 15.032 -6.501 0.870 441 2HG LYS 57 1HG LYS 57 14.234 -5.088 0.249 442 1HD LYS 57 2HD LYS 57 12.266 -7.131 1.214 443 2HD LYS 57 1HD LYS 57 13.408 -6.724 2.464 444 1HE LYS 57 2HE LYS 57 11.733 -5.088 2.802 445 2HE LYS 57 1HE LYS 57 12.918 -4.215 1.835 446 1HZ LYS 57 2HZ LYS 57 11.141 -5.763 0.207 447 2HZ LYS 57 1HZ LYS 57 10.245 -4.683 1.086 448 3HZ LYS 57 3HZ LYS 57 11.495 -4.162 0.053 449 H SER 58 H SER 58 13.069 -8.046 -3.508 450 HA SER 58 HA SER 58 14.063 -6.424 -5.551 451 1HB SER 58 2HB SER 58 12.108 -8.735 -5.911 452 2HB SER 58 1HB SER 58 13.178 -8.072 -7.166 453 HG SER 58 HG SER 58 13.870 -9.412 -4.772 454 H LEU 59 H LEU 59 10.810 -6.640 -4.524 455 HA LEU 59 HA LEU 59 9.718 -5.015 -6.718 456 1HB LEU 59 2HB LEU 59 8.654 -7.015 -5.280 457 2HB LEU 59 1HB LEU 59 8.187 -5.732 -4.207 458 HG LEU 59 HG LEU 59 6.348 -6.178 -5.739 459 1HD1 LEU 59 1HD1 LEU 59 6.823 -3.826 -5.163 460 2HD1 LEU 59 3HD1 LEU 59 7.772 -3.654 -6.616 461 3HD1 LEU 59 2HD1 LEU 59 6.054 -3.993 -6.725 462 1HD2 LEU 59 1HD2 LEU 59 7.704 -7.148 -7.645 463 2HD2 LEU 59 3HD2 LEU 59 6.609 -5.898 -8.186 464 3HD2 LEU 59 2HD2 LEU 59 8.306 -5.552 -8.021 465 H SER 60 H SER 60 10.076 -4.598 -3.068 466 HA SER 60 HA SER 60 9.251 -1.910 -2.997 467 1HB SER 60 2HB SER 60 10.665 -1.760 -0.910 468 2HB SER 60 1HB SER 60 9.926 -3.371 -0.962 469 HG SER 60 HG SER 60 12.242 -3.369 -2.365 470 H HIS 61 H HIS 61 9.899 -0.120 -3.973 471 HA HIS 61 HA HIS 61 12.721 -0.021 -4.964 472 1HB HIS 61 2HB HIS 61 10.856 -0.100 -6.654 473 2HB HIS 61 1HB HIS 61 10.252 1.434 -6.036 474 HD1 HIS 61 HD1 HIS 61 13.596 0.187 -7.021 475 HD2 HIS 61 HD2 HIS 61 11.269 3.474 -7.627 476 HE1 HIS 61 HE1 HIS 61 14.945 1.770 -8.446 477 H LYS 62 H LYS 62 13.284 2.458 -5.513 478 HA LYS 62 HA LYS 62 12.877 4.013 -2.978 479 1HB LYS 62 2HB LYS 62 15.451 3.487 -4.538 480 2HB LYS 62 1HB LYS 62 15.340 4.734 -3.312 481 1HG LYS 62 2HG LYS 62 14.736 1.756 -2.822 482 2HG LYS 62 1HG LYS 62 16.267 2.529 -2.445 483 1HD LYS 62 2HD LYS 62 14.887 4.208 -0.976 484 2HD LYS 62 1HD LYS 62 13.497 3.207 -1.287 485 1HE LYS 62 2HE LYS 62 14.390 1.305 -0.202 486 2HE LYS 62 1HE LYS 62 15.934 2.107 0.089 487 1HZ LYS 62 2HZ LYS 62 13.741 3.800 0.849 488 2HZ LYS 62 1HZ LYS 62 13.488 2.425 1.592 489 3HZ LYS 62 3HZ LYS 62 14.901 3.260 1.891 490 H GLN 63 H GLN 63 14.180 4.793 -6.175 491 HA GLN 63 HA GLN 63 14.371 7.334 -6.551 492 1HB GLN 63 2HB GLN 63 13.975 5.561 -8.312 493 2HB GLN 63 1HB GLN 63 12.257 5.855 -8.147 494 1HG GLN 63 2HG GLN 63 12.466 8.173 -8.917 495 2HG GLN 63 1HG GLN 63 14.215 8.113 -8.885 496 1HE2 GLN 63 2HE2 GLN 63 14.214 6.962 -12.168 497 2HE2 GLN 63 1HE2 GLN 63 15.105 7.730 -10.926 498 H LEU 64 H LEU 64 13.199 8.100 -4.398 499 HA LEU 64 HA LEU 64 10.809 8.848 -3.775 500 1HB LEU 64 2HB LEU 64 11.891 11.127 -3.155 501 2HB LEU 64 1HB LEU 64 12.514 9.652 -2.484 502 HG LEU 64 HG LEU 64 14.235 11.330 -3.135 503 1HD1 LEU 64 2HD1 LEU 64 14.942 8.958 -3.007 504 2HD1 LEU 64 1HD1 LEU 64 14.691 8.788 -4.743 505 3HD1 LEU 64 3HD1 LEU 64 15.865 9.910 -4.147 506 1HD2 LEU 64 1HD2 LEU 64 13.410 10.640 -5.974 507 2HD2 LEU 64 3HD2 LEU 64 13.223 12.194 -5.189 508 3HD2 LEU 64 2HD2 LEU 64 14.826 11.586 -5.544 509 H LEU 65 H LEU 65 9.217 8.944 -5.405 510 HA LEU 65 HA LEU 65 9.050 10.733 -7.565 511 1HB LEU 65 2HB LEU 65 7.035 9.255 -5.859 512 2HB LEU 65 1HB LEU 65 6.387 10.422 -6.976 513 HG LEU 65 HG LEU 65 6.330 8.152 -7.912 514 1HD1 LEU 65 3HD1 LEU 65 6.647 10.090 -9.465 515 2HD1 LEU 65 2HD1 LEU 65 8.389 9.928 -9.321 516 3HD1 LEU 65 1HD1 LEU 65 7.455 8.652 -10.050 517 1HD2 LEU 65 2HD2 LEU 65 8.343 7.248 -6.756 518 2HD2 LEU 65 1HD2 LEU 65 8.425 7.008 -8.492 519 3HD2 LEU 65 3HD2 LEU 65 9.356 8.282 -7.751 520 H MET 66 H MET 66 10.005 12.637 -6.626 521 HA MET 66 HA MET 66 8.613 14.513 -4.923 522 1HB MET 66 2HB MET 66 10.974 14.766 -6.818 523 2HB MET 66 1HB MET 66 10.399 16.109 -5.852 524 1HG MET 66 2HG MET 66 11.247 13.447 -4.670 525 2HG MET 66 1HG MET 66 12.309 14.808 -4.824 526 1HE MET 66 3HE MET 66 11.502 17.205 -3.942 527 2HE MET 66 2HE MET 66 11.272 17.266 -2.214 528 3HE MET 66 1HE MET 66 12.712 16.482 -2.855 529 H SER 67 H SER 67 8.669 14.219 -8.406 530 HA SER 67 HA SER 67 7.132 16.730 -8.783 531 1HB SER 67 2HB SER 67 7.346 16.122 -11.247 532 2HB SER 67 1HB SER 67 8.907 16.238 -10.422 533 HG SER 67 HG SER 67 7.393 13.827 -10.569 534 HA PRO 68 HA PRO 68 3.465 13.952 -8.483 535 1HB PRO 68 2HB PRO 68 1.605 15.943 -8.164 536 2HB PRO 68 1HB PRO 68 2.562 15.324 -6.815 537 1HG PRO 68 2HG PRO 68 3.251 17.705 -8.656 538 2HG PRO 68 1HG PRO 68 3.081 17.770 -6.896 539 1HD PRO 68 2HD PRO 68 5.523 17.468 -7.895 540 2HD PRO 68 1HD PRO 68 5.071 16.330 -6.604 541 H GLY 69 H GLY 69 2.176 13.342 -10.065 542 1HA GLY 69 2HA GLY 69 0.778 13.834 -12.138 543 2HA GLY 69 1HA GLY 69 2.007 14.972 -12.611 544 H GLN 70 H GLN 70 3.222 11.937 -11.547 545 HA GLN 70 HA GLN 70 3.643 11.120 -14.391 546 1HB GLN 70 2HB GLN 70 5.420 10.743 -11.947 547 2HB GLN 70 1HB GLN 70 5.777 10.049 -13.516 548 1HG GLN 70 2HG GLN 70 5.596 12.605 -14.360 549 2HG GLN 70 1HG GLN 70 5.889 12.982 -12.671 550 1HE2 GLN 70 2HE2 GLN 70 9.326 12.344 -13.215 551 2HE2 GLN 70 1HE2 GLN 70 8.232 13.197 -12.239 552 H SER 71 H SER 71 3.456 9.039 -14.961 553 HA SER 71 HA SER 71 2.093 7.124 -13.102 554 1HB SER 71 2HB SER 71 1.071 6.195 -15.222 555 2HB SER 71 1HB SER 71 0.665 7.894 -14.926 556 HG SER 71 HG SER 71 2.857 6.942 -16.499 557 H THR 72 H THR 72 3.671 5.687 -12.376 558 HA THR 72 HA THR 72 5.463 4.438 -14.489 559 HB THR 72 HB THR 72 6.727 5.610 -12.694 560 HG1 THR 72 HG1 THR 72 7.509 3.145 -12.185 561 1HG2 THR 72 1HG2 THR 72 5.228 4.824 -10.690 562 2HG2 THR 72 3HG2 THR 72 5.808 3.196 -10.997 563 3HG2 THR 72 2HG2 THR 72 6.935 4.456 -10.523 564 H SER 73 H SER 73 6.146 2.202 -14.039 565 HA SER 73 HA SER 73 3.788 0.550 -13.118 566 1HB SER 73 2HB SER 73 4.223 0.288 -15.519 567 2HB SER 73 1HB SER 73 5.845 -0.330 -15.149 568 HG SER 73 HG SER 73 3.390 -1.276 -14.069 569 H THR 74 H THR 74 4.029 -1.280 -12.014 570 HA THR 74 HA THR 74 6.733 -2.186 -11.011 571 HB THR 74 HB THR 74 4.487 -1.911 -8.934 572 HG1 THR 74 HG1 THR 74 6.247 -0.071 -10.185 573 1HG2 THR 74 3HG2 THR 74 6.763 -3.066 -8.512 574 2HG2 THR 74 2HG2 THR 74 7.532 -1.532 -8.873 575 3HG2 THR 74 1HG2 THR 74 6.452 -1.661 -7.500 576 H THR 75 H THR 75 5.196 -3.184 -12.855 577 HA THR 75 HA THR 75 3.362 -5.232 -12.359 578 HB THR 75 HB THR 75 5.456 -4.729 -14.521 579 HG1 THR 75 HG1 THR 75 3.851 -3.288 -14.643 580 1HG2 THR 75 3HG2 THR 75 3.063 -6.655 -14.701 581 2HG2 THR 75 2HG2 THR 75 4.117 -6.183 -15.999 582 3HG2 THR 75 1HG2 THR 75 4.718 -7.189 -14.697 583 H PHE 76 H PHE 76 3.401 -7.473 -12.624 584 HA PHE 76 HA PHE 76 5.723 -8.729 -11.202 585 1HB PHE 76 2HB PHE 76 2.728 -9.258 -11.119 586 2HB PHE 76 1HB PHE 76 3.898 -10.361 -10.410 587 HD1 PHE 76 HD1 PHE 76 5.526 -9.450 -8.696 588 HD2 PHE 76 HD2 PHE 76 2.111 -7.247 -9.930 589 HE1 PHE 76 HE1 PHE 76 5.724 -8.040 -6.703 590 HE2 PHE 76 HE2 PHE 76 2.327 -5.830 -7.924 591 HZ PHE 76 HZ PHE 76 4.114 -6.203 -6.334 592 HA PRO 77 HA PRO 77 5.880 -11.541 -14.735 593 1HB PRO 77 2HB PRO 77 8.661 -10.820 -15.081 594 2HB PRO 77 1HB PRO 77 7.334 -10.767 -16.243 595 1HG PRO 77 2HG PRO 77 8.472 -8.365 -15.193 596 2HG PRO 77 1HG PRO 77 6.757 -8.451 -15.607 597 1HD PRO 77 2HD PRO 77 7.968 -9.013 -12.805 598 2HD PRO 77 1HD PRO 77 6.681 -7.871 -13.237 599 H ALA 78 H ALA 78 8.452 -12.855 -14.783 600 HA ALA 78 HA ALA 78 9.509 -14.598 -13.493 601 1HB ALA 78 3HB ALA 78 10.681 -12.447 -12.559 602 2HB ALA 78 2HB ALA 78 9.383 -12.314 -11.379 603 3HB ALA 78 1HB ALA 78 10.484 -13.672 -11.314 604 H ASP 79 H ASP 79 7.448 -15.127 -14.017 605 HA ASP 79 HA ASP 79 5.010 -15.021 -13.066 606 1HB ASP 79 2HB ASP 79 6.718 -17.643 -13.702 607 2HB ASP 79 1HB ASP 79 5.036 -17.498 -14.200 608 H ALA 80 H ALA 80 5.253 -14.188 -11.490 609 HA ALA 80 HA ALA 80 5.583 -15.327 -8.913 610 1HB ALA 80 2HB ALA 80 6.156 -13.003 -9.571 611 2HB ALA 80 1HB ALA 80 4.504 -12.666 -10.002 612 3HB ALA 80 3HB ALA 80 4.936 -12.864 -8.314 613 HA PRO 81 HA PRO 81 1.804 -17.010 -8.041 614 1HB PRO 81 2HB PRO 81 2.237 -17.760 -5.532 615 2HB PRO 81 1HB PRO 81 3.532 -17.990 -6.720 616 1HG PRO 81 2HG PRO 81 3.151 -15.616 -4.808 617 2HG PRO 81 1HG PRO 81 4.604 -16.607 -4.975 618 1HD PRO 81 2HD PRO 81 4.157 -14.179 -6.391 619 2HD PRO 81 1HD PRO 81 5.275 -15.452 -6.926 620 H ALA 82 H ALA 82 0.161 -17.327 -6.084 621 HA ALA 82 HA ALA 82 -1.420 -14.832 -6.058 622 1HB ALA 82 1HB ALA 82 -2.438 -16.918 -6.872 623 2HB ALA 82 3HB ALA 82 -2.124 -17.717 -5.338 624 3HB ALA 82 2HB ALA 82 -3.279 -16.397 -5.428 625 H GLY 83 H GLY 83 -2.740 -14.388 -4.239 626 1HA GLY 83 2HA GLY 83 -3.097 -14.468 -1.697 627 2HA GLY 83 1HA GLY 83 -1.332 -14.487 -1.553 628 H GLU 84 H GLU 84 -2.130 -12.409 -0.179 629 HA GLU 84 HA GLU 84 -2.267 -10.108 -2.128 630 1HB GLU 84 2HB GLU 84 -4.195 -10.422 -0.519 631 2HB GLU 84 1HB GLU 84 -3.088 -9.990 0.772 632 1HG GLU 84 2HG GLU 84 -2.594 -7.743 -0.309 633 2HG GLU 84 1HG GLU 84 -3.282 -8.310 -1.755 634 H TYR 85 H TYR 85 -0.805 -8.641 -2.208 635 HA TYR 85 HA TYR 85 1.488 -8.656 -0.244 636 1HB TYR 85 2HB TYR 85 1.601 -7.257 -2.945 637 2HB TYR 85 1HB TYR 85 2.919 -7.820 -1.962 638 HD1 TYR 85 HD2 TYR 85 0.996 -10.719 -1.981 639 HD2 TYR 85 HD1 TYR 85 3.202 -8.238 -4.645 640 HE1 TYR 85 HE2 TYR 85 1.312 -12.612 -3.518 641 HE2 TYR 85 HE1 TYR 85 3.508 -10.164 -6.146 642 HH TYR 85 HH TYR 85 1.786 -12.945 -6.008 643 H THR 86 H THR 86 2.236 -6.678 0.613 644 HA THR 86 HA THR 86 0.356 -4.330 0.277 645 HB THR 86 HB THR 86 1.805 -5.063 2.877 646 HG1 THR 86 HG1 THR 86 0.242 -6.352 2.996 647 1HG2 THR 86 2HG2 THR 86 -0.589 -3.229 2.224 648 2HG2 THR 86 1HG2 THR 86 0.115 -3.495 3.805 649 3HG2 THR 86 3HG2 THR 86 1.004 -2.629 2.571 650 H PHE 87 H PHE 87 1.125 -2.484 -0.311 651 HA PHE 87 HA PHE 87 4.002 -1.933 -0.194 652 1HB PHE 87 2HB PHE 87 3.677 -0.576 -2.151 653 2HB PHE 87 1HB PHE 87 3.532 -2.337 -2.261 654 HD1 PHE 87 HD1 PHE 87 1.781 0.826 -2.401 655 HD2 PHE 87 HD2 PHE 87 1.487 -3.374 -2.766 656 HE1 PHE 87 HE1 PHE 87 -0.370 1.106 -3.435 657 HE2 PHE 87 HE2 PHE 87 -0.677 -3.171 -3.807 658 HZ PHE 87 HZ PHE 87 -1.675 -0.907 -4.188 659 H TYR 88 H TYR 88 4.701 -0.114 0.891 660 HA TYR 88 HA TYR 88 2.730 2.006 1.473 661 1HB TYR 88 2HB TYR 88 4.273 2.435 3.481 662 2HB TYR 88 1HB TYR 88 3.248 1.014 3.480 663 HD1 TYR 88 HD1 TYR 88 6.757 2.163 3.056 664 HD2 TYR 88 HD2 TYR 88 4.123 -1.173 3.197 665 HE1 TYR 88 HE1 TYR 88 8.673 0.624 3.279 666 HE2 TYR 88 HE2 TYR 88 6.035 -2.667 3.384 667 HH TYR 88 HH TYR 88 8.158 -2.739 3.895 668 H CYS 89 H CYS 89 3.202 4.079 1.262 669 HA CYS 89 HA CYS 89 5.240 4.971 -0.630 670 1HB CYS 89 2HB CYS 89 2.796 5.783 -0.213 671 2HB CYS 89 1HB CYS 89 3.516 6.632 1.121 672 H GLU 90 H GLU 90 6.971 4.142 0.863 673 HA GLU 90 HA GLU 90 8.126 4.574 3.083 674 1HB GLU 90 2HB GLU 90 9.341 3.932 1.194 675 2HB GLU 90 1HB GLU 90 9.331 5.519 0.488 676 1HG GLU 90 2HG GLU 90 10.918 6.340 2.146 677 2HG GLU 90 1HG GLU 90 10.563 5.070 3.288 678 HA PRO 91 HA PRO 91 8.895 9.343 3.696 679 1HB PRO 91 2HB PRO 91 7.598 10.990 1.866 680 2HB PRO 91 1HB PRO 91 9.277 10.470 1.705 681 1HG PRO 91 2HG PRO 91 6.793 9.115 0.483 682 2HG PRO 91 1HG PRO 91 8.264 9.615 -0.357 683 1HD PRO 91 2HD PRO 91 8.053 7.098 0.370 684 2HD PRO 91 1HD PRO 91 9.604 7.908 0.692 685 H HIS 92 HN HIP 92 5.804 8.632 2.209 686 HA HIS 92 HA HIP 92 4.372 9.581 4.695 687 1HB HIS 92 2HB HIP 92 2.887 8.766 2.191 688 2HB HIS 92 1HB HIP 92 2.444 9.931 3.409 689 HD2 HIS 92 HD2 HIP 92 4.078 12.443 3.242 690 HE1 HIS 92 HE1 HIP 92 4.451 11.990 -0.898 691 HE2 HIS 92 HE2 HIP 92 4.670 13.525 0.975 692 H ARG 93 H ARG 93 5.784 7.249 4.496 693 HA ARG 93 HA ARG 93 4.944 4.746 4.063 694 1HB ARG 93 2HB ARG 93 6.832 6.001 5.722 695 2HB ARG 93 1HB ARG 93 5.927 5.077 6.863 696 1HG ARG 93 2HG ARG 93 6.555 2.959 5.963 697 2HG ARG 93 1HG ARG 93 6.774 3.632 4.364 698 1HD ARG 93 2HD ARG 93 8.919 2.872 5.464 699 2HD ARG 93 1HD ARG 93 8.947 4.517 4.894 700 HE ARG 93 HE ARG 93 8.268 3.991 7.788 701 1HH1 ARG 93 2HH1 ARG 93 8.826 6.455 5.982 702 2HH1 ARG 93 1HH1 ARG 93 10.185 7.077 6.823 703 1HH2 ARG 93 1HH2 ARG 93 10.545 4.046 8.451 704 2HH2 ARG 93 2HH2 ARG 93 11.270 5.606 8.253 705 H GLY 94 H GLY 94 4.618 3.162 6.056 706 1HA GLY 94 2HA GLY 94 2.253 2.076 6.373 707 2HA GLY 94 1HA GLY 94 3.174 2.307 7.818 708 H ALA 95 H ALA 95 2.499 5.230 7.723 709 HA ALA 95 HA ALA 95 -0.092 4.980 9.050 710 1HB ALA 95 3HB ALA 95 1.880 5.939 10.328 711 2HB ALA 95 2HB ALA 95 2.062 7.154 9.067 712 3HB ALA 95 1HB ALA 95 0.661 7.202 10.118 713 H GLY 96 H GLY 96 0.854 6.130 6.375 714 1HA GLY 96 2HA GLY 96 -1.739 7.661 5.947 715 2HA GLY 96 1HA GLY 96 -0.260 8.370 5.373 716 H MET 97 H MET 97 0.909 6.671 3.876 717 HA MET 97 HA MET 97 -1.107 6.038 1.753 718 1HB MET 97 2HB MET 97 1.738 6.925 1.718 719 2HB MET 97 1HB MET 97 0.899 6.477 0.242 720 1HG MET 97 2HG MET 97 -0.851 8.224 0.941 721 2HG MET 97 1HG MET 97 0.260 8.742 2.159 722 1HE MET 97 1HE MET 97 -0.757 8.469 -1.370 723 2HE MET 97 3HE MET 97 -1.079 10.179 -1.063 724 3HE MET 97 2HE MET 97 0.145 9.691 -2.231 725 H VAL 98 H VAL 98 -1.451 3.936 2.643 726 HA VAL 98 HA VAL 98 0.614 1.893 1.828 727 HB VAL 98 HB VAL 98 -1.592 1.536 3.824 728 1HG1 VAL 98 2HG1 VAL 98 0.878 -0.136 3.131 729 2HG1 VAL 98 1HG1 VAL 98 -0.244 -0.477 4.441 730 3HG1 VAL 98 3HG1 VAL 98 -0.784 -0.576 2.777 731 1HG2 VAL 98 2HG2 VAL 98 1.379 2.079 4.260 732 2HG2 VAL 98 1HG2 VAL 98 0.072 3.188 4.636 733 3HG2 VAL 98 3HG2 VAL 98 0.206 1.685 5.516 734 H GLY 99 H GLY 99 0.007 0.369 0.186 735 1HA GLY 99 2HA GLY 99 -2.941 0.043 -0.392 736 2HA GLY 99 1HA GLY 99 -1.800 0.260 -1.702 737 H LYS 100 H LYS 100 -3.523 -1.893 -1.430 738 HA LYS 100 HA LYS 100 -1.569 -4.134 -1.125 739 1HB LYS 100 2HB LYS 100 -4.414 -3.888 -0.093 740 2HB LYS 100 1HB LYS 100 -3.593 -5.437 -0.238 741 1HG LYS 100 2HG LYS 100 -1.701 -4.588 1.141 742 2HG LYS 100 1HG LYS 100 -2.455 -3.022 1.243 743 1HD LYS 100 2HD LYS 100 -2.736 -4.425 3.342 744 2HD LYS 100 1HD LYS 100 -4.209 -3.755 2.676 745 1HE LYS 100 2HE LYS 100 -4.495 -6.114 3.366 746 2HE LYS 100 1HE LYS 100 -4.773 -5.843 1.653 747 1HZ LYS 100 3HZ LYS 100 -1.988 -6.330 2.032 748 2HZ LYS 100 2HZ LYS 100 -2.847 -7.570 2.813 749 3HZ LYS 100 1HZ LYS 100 -3.175 -7.275 1.206 750 H ILE 101 H ILE 101 -1.438 -5.578 -2.562 751 HA ILE 101 HA ILE 101 -3.294 -5.596 -4.936 752 HB ILE 101 HB ILE 101 -0.628 -5.069 -5.088 753 1HG1 ILE 101 2HG1 ILE 101 -2.467 -6.614 -6.934 754 2HG1 ILE 101 1HG1 ILE 101 -2.006 -4.936 -7.013 755 1HG2 ILE 101 1HG2 ILE 101 0.010 -7.369 -4.143 756 2HG2 ILE 101 3HG2 ILE 101 -0.736 -8.095 -5.547 757 3HG2 ILE 101 2HG2 ILE 101 0.677 -7.084 -5.741 758 1HD1 ILE 101 3HD1 ILE 101 0.344 -5.600 -7.703 759 2HD1 ILE 101 2HD1 ILE 101 -0.130 -7.287 -7.692 760 3HD1 ILE 101 1HD1 ILE 101 -0.824 -6.197 -8.843 761 H THR 102 H THR 102 -4.612 -7.311 -4.886 762 HA THR 102 HA THR 102 -3.879 -9.828 -3.404 763 HB THR 102 HB THR 102 -6.621 -9.858 -4.621 764 HG1 THR 102 HG1 THR 102 -5.628 -7.704 -3.118 765 1HG2 THR 102 2HG2 THR 102 -5.804 -11.221 -2.610 766 2HG2 THR 102 1HG2 THR 102 -5.709 -9.710 -1.723 767 3HG2 THR 102 3HG2 THR 102 -7.261 -10.289 -2.329 768 H VAL 103 H VAL 103 -2.734 -11.154 -4.745 769 HA VAL 103 HA VAL 103 -3.490 -11.252 -7.620 770 HB VAL 103 HB VAL 103 -1.224 -12.774 -6.243 771 1HG1 VAL 103 3HG1 VAL 103 -1.726 -13.292 -8.583 772 2HG1 VAL 103 2HG1 VAL 103 -1.469 -11.597 -8.981 773 3HG1 VAL 103 1HG1 VAL 103 -0.133 -12.572 -8.387 774 1HG2 VAL 103 1HG2 VAL 103 -1.052 -9.886 -7.060 775 2HG2 VAL 103 3HG2 VAL 103 -0.897 -10.522 -5.444 776 3HG2 VAL 103 2HG2 VAL 103 0.307 -10.914 -6.649 777 H ALA 104 H ALA 104 -5.062 -12.538 -8.117 778 HA ALA 104 HA ALA 104 -5.263 -15.205 -6.731 779 1HB ALA 104 3HB ALA 104 -7.520 -13.287 -7.480 780 2HB ALA 104 2HB ALA 104 -7.756 -14.881 -6.777 781 3HB ALA 104 1HB ALA 104 -6.943 -13.621 -5.857 782 H GLY 105 HN GLY 105 -7.050 -13.794 -9.388 783 1HA GLY 105 2HA GLY 105 -6.118 -15.777 -11.378 784 2HA GLY 105 1HA GLY 105 -7.850 -15.637 -11.055 No H/Q in entry = 784 Start of MODEL 4 1 1H GLU 1 1H GLU 1 -4.458 -6.291 -14.782 2 2H GLU 1 3H GLU 1 -5.689 -6.925 -15.763 3 3H GLU 1 2H GLU 1 -4.184 -7.655 -15.694 4 HA GLU 1 HA GLU 1 -3.331 -6.365 -17.267 5 1HB GLU 1 2HB GLU 1 -6.112 -5.018 -17.340 6 2HB GLU 1 1HB GLU 1 -4.960 -5.032 -18.649 7 1HG GLU 1 2HG GLU 1 -6.817 -6.653 -19.103 8 2HG GLU 1 1HG GLU 1 -5.331 -7.536 -18.943 9 H THR 2 H THR 2 -2.660 -3.923 -17.695 10 HA THR 2 HA THR 2 -1.853 -2.609 -15.395 11 HB THR 2 HB THR 2 -2.494 -1.358 -18.151 12 HG1 THR 2 HG1 THR 2 -0.013 -2.184 -17.175 13 1HG2 THR 2 1HG2 THR 2 -0.308 -0.640 -16.110 14 2HG2 THR 2 3HG2 THR 2 -0.632 0.147 -17.640 15 3HG2 THR 2 2HG2 THR 2 -1.757 0.323 -16.311 16 H TYR 3 H TYR 3 -3.597 -2.741 -14.026 17 HA TYR 3 HA TYR 3 -5.877 -0.879 -14.395 18 1HB TYR 3 2HB TYR 3 -5.206 -2.171 -11.721 19 2HB TYR 3 1HB TYR 3 -6.768 -1.732 -12.338 20 HD1 TYR 3 HD1 TYR 3 -7.267 -3.233 -14.769 21 HD2 TYR 3 HD2 TYR 3 -4.928 -4.331 -11.406 22 HE1 TYR 3 HE1 TYR 3 -7.574 -5.646 -15.309 23 HE2 TYR 3 HE2 TYR 3 -5.242 -6.691 -11.962 24 HH TYR 3 HH TYR 3 -5.629 -7.976 -13.684 25 H THR 4 H THR 4 -4.757 1.153 -14.593 26 HA THR 4 HA THR 4 -2.934 2.327 -12.789 27 HB THR 4 HB THR 4 -5.120 3.609 -14.515 28 HG1 THR 4 HG1 THR 4 -2.395 3.937 -14.904 29 1HG2 THR 4 2HG2 THR 4 -2.694 4.946 -13.215 30 2HG2 THR 4 1HG2 THR 4 -3.803 5.694 -14.337 31 3HG2 THR 4 3HG2 THR 4 -4.338 5.260 -12.719 32 H VAL 5 H VAL 5 -3.030 2.361 -10.802 33 HA VAL 5 HA VAL 5 -5.437 3.272 -9.259 34 HB VAL 5 HB VAL 5 -3.049 1.475 -8.608 35 1HG1 VAL 5 1HG1 VAL 5 -3.489 2.935 -6.588 36 2HG1 VAL 5 3HG1 VAL 5 -5.173 2.453 -6.627 37 3HG1 VAL 5 2HG1 VAL 5 -3.929 1.267 -6.288 38 1HG2 VAL 5 1HG2 VAL 5 -6.075 1.059 -8.440 39 2HG2 VAL 5 3HG2 VAL 5 -5.028 0.437 -9.690 40 3HG2 VAL 5 2HG2 VAL 5 -4.867 -0.158 -8.051 41 H LYS 6 H LYS 6 -5.035 4.878 -7.590 42 HA LYS 6 HA LYS 6 -2.472 6.408 -8.047 43 1HB LYS 6 2HB LYS 6 -5.276 7.427 -7.655 44 2HB LYS 6 1HB LYS 6 -3.855 8.391 -7.291 45 1HG LYS 6 2HG LYS 6 -3.038 8.090 -9.591 46 2HG LYS 6 1HG LYS 6 -4.482 7.181 -9.997 47 1HD LYS 6 2HD LYS 6 -4.801 9.565 -10.682 48 2HD LYS 6 1HD LYS 6 -5.886 9.217 -9.363 49 1HE LYS 6 2HE LYS 6 -3.169 10.480 -8.854 50 2HE LYS 6 1HE LYS 6 -4.562 11.467 -9.269 51 1HZ LYS 6 3HZ LYS 6 -5.344 9.595 -7.243 52 2HZ LYS 6 2HZ LYS 6 -4.009 10.339 -6.690 53 3HZ LYS 6 1HZ LYS 6 -5.331 11.193 -7.054 54 H LEU 7 H LEU 7 -1.812 7.845 -6.625 55 HA LEU 7 HA LEU 7 -2.140 7.145 -3.733 56 1HB LEU 7 2HB LEU 7 0.461 7.957 -3.781 57 2HB LEU 7 1HB LEU 7 0.008 6.304 -4.063 58 HG LEU 7 HG LEU 7 0.114 8.160 -6.424 59 1HD1 LEU 7 1HD1 LEU 7 2.535 6.892 -5.075 60 2HD1 LEU 7 3HD1 LEU 7 2.554 7.688 -6.640 61 3HD1 LEU 7 2HD1 LEU 7 2.178 8.613 -5.201 62 1HD2 LEU 7 3HD2 LEU 7 -0.542 5.709 -6.650 63 2HD2 LEU 7 2HD2 LEU 7 0.943 6.061 -7.509 64 3HD2 LEU 7 1HD2 LEU 7 0.999 5.263 -5.947 65 H GLY 8 H GLY 8 -3.733 8.951 -4.009 66 1HA GLY 8 2HA GLY 8 -3.798 10.978 -2.442 67 2HA GLY 8 1HA GLY 8 -2.518 11.649 -3.422 68 H SER 9 H SER 9 -5.486 12.158 -2.687 69 HA SER 9 HA SER 9 -6.489 12.934 -5.397 70 1HB SER 9 2HB SER 9 -8.762 12.898 -4.278 71 2HB SER 9 1HB SER 9 -7.964 11.322 -4.229 72 HG SER 9 HG SER 9 -7.820 11.505 -2.142 73 H ASP 10 H ASP 10 -4.691 14.472 -4.398 74 HA ASP 10 HA ASP 10 -4.237 16.505 -3.105 75 1HB ASP 10 2HB ASP 10 -5.122 16.601 -5.992 76 2HB ASP 10 1HB ASP 10 -4.458 18.047 -5.242 77 H LYS 11 H LYS 11 -7.523 16.934 -4.332 78 HA LYS 11 HA LYS 11 -7.795 19.257 -2.419 79 1HB LYS 11 2HB LYS 11 -8.326 19.467 -4.950 80 2HB LYS 11 1HB LYS 11 -9.715 18.448 -4.669 81 1HG LYS 11 2HG LYS 11 -9.759 20.516 -2.618 82 2HG LYS 11 1HG LYS 11 -9.303 21.322 -4.091 83 1HD LYS 11 2HD LYS 11 -11.712 21.433 -3.990 84 2HD LYS 11 1HD LYS 11 -11.323 20.260 -5.241 85 1HE LYS 11 2HE LYS 11 -11.671 18.401 -3.610 86 2HE LYS 11 1HE LYS 11 -12.014 19.579 -2.346 87 1HZ LYS 11 1HZ LYS 11 -13.593 20.229 -4.596 88 2HZ LYS 11 3HZ LYS 11 -13.796 18.570 -4.306 89 3HZ LYS 11 2HZ LYS 11 -14.126 19.692 -3.080 90 H GLY 12 H GLY 12 -7.900 16.326 -2.074 91 1HA GLY 12 2HA GLY 12 -10.281 16.079 -0.261 92 2HA GLY 12 1HA GLY 12 -9.869 14.755 -1.355 93 H LEU 13 H LEU 13 -7.938 13.559 -0.928 94 HA LEU 13 HA LEU 13 -6.497 14.156 1.589 95 1HB LEU 13 2HB LEU 13 -8.353 11.841 1.110 96 2HB LEU 13 1HB LEU 13 -6.938 11.500 2.072 97 HG LEU 13 HG LEU 13 -8.913 13.744 2.712 98 1HD1 LEU 13 2HD1 LEU 13 -8.550 10.952 3.916 99 2HD1 LEU 13 1HD1 LEU 13 -9.665 12.180 4.486 100 3HD1 LEU 13 3HD1 LEU 13 -9.903 11.448 2.914 101 1HD2 LEU 13 1HD2 LEU 13 -6.675 12.407 4.335 102 2HD2 LEU 13 3HD2 LEU 13 -6.578 14.025 3.653 103 3HD2 LEU 13 2HD2 LEU 13 -7.743 13.676 4.902 104 H LEU 14 H LEU 14 -4.542 13.016 1.958 105 HA LEU 14 HA LEU 14 -3.132 12.231 -0.578 106 1HB LEU 14 2HB LEU 14 -2.004 12.689 2.222 107 2HB LEU 14 1HB LEU 14 -1.094 12.616 0.733 108 HG LEU 14 HG LEU 14 -3.123 14.793 1.460 109 1HD1 LEU 14 3HD1 LEU 14 -0.927 14.892 2.642 110 2HD1 LEU 14 2HD1 LEU 14 -0.097 14.804 1.101 111 3HD1 LEU 14 1HD1 LEU 14 -1.092 16.197 1.486 112 1HD2 LEU 14 2HD2 LEU 14 -1.328 14.481 -0.994 113 2HD2 LEU 14 1HD2 LEU 14 -3.077 14.323 -1.015 114 3HD2 LEU 14 3HD2 LEU 14 -2.352 15.861 -0.633 115 H VAL 15 H VAL 15 -4.740 10.442 -0.273 116 HA VAL 15 HA VAL 15 -3.595 8.072 1.167 117 HB VAL 15 HB VAL 15 -5.958 7.223 1.145 118 1HG1 VAL 15 2HG1 VAL 15 -5.555 10.041 2.225 119 2HG1 VAL 15 1HG1 VAL 15 -6.793 8.916 2.756 120 3HG1 VAL 15 3HG1 VAL 15 -5.094 8.568 3.038 121 1HG2 VAL 15 1HG2 VAL 15 -6.705 8.478 -0.946 122 2HG2 VAL 15 3HG2 VAL 15 -7.751 8.794 0.421 123 3HG2 VAL 15 2HG2 VAL 15 -6.574 9.987 -0.070 124 H PHE 16 H PHE 16 -5.055 6.098 -0.084 125 HA PHE 16 HA PHE 16 -3.841 5.930 -2.826 126 1HB PHE 16 2HB PHE 16 -4.205 3.900 -0.609 127 2HB PHE 16 1HB PHE 16 -4.343 3.342 -2.266 128 HD1 PHE 16 HD1 PHE 16 -2.413 4.323 -3.862 129 HD2 PHE 16 HD2 PHE 16 -2.054 3.574 0.304 130 HE1 PHE 16 HE1 PHE 16 0.005 4.063 -4.128 131 HE2 PHE 16 HE2 PHE 16 0.390 3.314 0.023 132 HZ PHE 16 HZ PHE 16 1.405 3.560 -2.172 133 H GLU 17 H GLU 17 -5.210 6.000 -4.417 134 HA GLU 17 HA GLU 17 -8.115 5.443 -4.088 135 1HB GLU 17 2HB GLU 17 -6.648 6.766 -6.363 136 2HB GLU 17 1HB GLU 17 -8.369 6.798 -6.104 137 1HG GLU 17 2HG GLU 17 -8.231 8.598 -4.628 138 2HG GLU 17 1HG GLU 17 -6.866 7.925 -3.763 139 HA PRO 18 HA PRO 18 -9.123 3.773 -3.750 140 1HB PRO 18 2HB PRO 18 -10.633 1.727 -4.218 141 2HB PRO 18 1HB PRO 18 -10.594 3.057 -5.395 142 1HG PRO 18 2HG PRO 18 -9.162 0.342 -5.589 143 2HG PRO 18 1HG PRO 18 -9.987 1.236 -6.868 144 1HD PRO 18 2HD PRO 18 -7.170 1.364 -6.234 145 2HD PRO 18 1HD PRO 18 -8.047 2.388 -7.394 146 H ALA 19 H ALA 19 -6.613 2.962 -3.094 147 HA ALA 19 HA ALA 19 -5.365 1.884 -1.434 148 1HB ALA 19 3HB ALA 19 -7.246 2.663 -0.086 149 2HB ALA 19 2HB ALA 19 -8.175 1.226 -0.442 150 3HB ALA 19 1HB ALA 19 -6.715 1.105 0.520 151 H LYS 20 H LYS 20 -7.873 -0.316 -2.196 152 HA LYS 20 HA LYS 20 -5.922 -2.631 -2.235 153 1HB LYS 20 2HB LYS 20 -7.922 -4.053 -1.614 154 2HB LYS 20 1HB LYS 20 -7.246 -2.979 -0.426 155 1HG LYS 20 2HG LYS 20 -9.473 -2.566 -0.092 156 2HG LYS 20 1HG LYS 20 -9.138 -1.280 -1.204 157 1HD LYS 20 2HD LYS 20 -9.887 -3.454 -2.918 158 2HD LYS 20 1HD LYS 20 -10.844 -3.726 -1.493 159 1HE LYS 20 2HE LYS 20 -12.202 -2.308 -2.840 160 2HE LYS 20 1HE LYS 20 -11.552 -1.260 -1.575 161 1HZ LYS 20 1HZ LYS 20 -9.704 -1.573 -3.722 162 2HZ LYS 20 3HZ LYS 20 -11.130 -0.961 -4.346 163 3HZ LYS 20 2HZ LYS 20 -10.274 -0.138 -3.109 164 H LEU 21 H LEU 21 -5.519 -3.539 -4.061 165 HA LEU 21 HA LEU 21 -7.438 -3.669 -6.370 166 1HB LEU 21 2HB LEU 21 -5.465 -2.243 -6.640 167 2HB LEU 21 1HB LEU 21 -4.493 -3.645 -6.411 168 HG LEU 21 HG LEU 21 -4.999 -2.907 -8.919 169 1HD1 LEU 21 1HD1 LEU 21 -5.132 -5.852 -8.051 170 2HD1 LEU 21 3HD1 LEU 21 -4.882 -5.304 -9.651 171 3HD1 LEU 21 2HD1 LEU 21 -3.732 -4.901 -8.409 172 1HD2 LEU 21 1HD2 LEU 21 -7.521 -3.030 -8.881 173 2HD2 LEU 21 3HD2 LEU 21 -6.795 -4.127 -10.025 174 3HD2 LEU 21 2HD2 LEU 21 -7.419 -4.749 -8.559 175 H THR 22 H THR 22 -7.857 -5.768 -7.293 176 HA THR 22 HA THR 22 -6.179 -8.098 -6.328 177 HB THR 22 HB THR 22 -9.043 -8.159 -7.448 178 HG1 THR 22 HG1 THR 22 -7.738 -8.295 -4.908 179 1HG2 THR 22 2HG2 THR 22 -7.318 -10.206 -5.933 180 2HG2 THR 22 1HG2 THR 22 -8.930 -10.456 -6.575 181 3HG2 THR 22 3HG2 THR 22 -7.564 -10.314 -7.671 182 H ILE 23 H ILE 23 -4.774 -8.654 -7.824 183 HA ILE 23 HA ILE 23 -5.243 -8.265 -10.698 184 HB ILE 23 HB ILE 23 -2.681 -8.908 -10.901 185 1HG1 ILE 23 2HG1 ILE 23 -2.469 -7.989 -8.063 186 2HG1 ILE 23 1HG1 ILE 23 -2.763 -9.664 -8.468 187 1HG2 ILE 23 2HG2 ILE 23 -3.370 -6.630 -11.313 188 2HG2 ILE 23 1HG2 ILE 23 -3.175 -6.329 -9.583 189 3HG2 ILE 23 3HG2 ILE 23 -1.813 -6.777 -10.552 190 1HD1 ILE 23 2HD1 ILE 23 -0.450 -8.038 -9.693 191 2HD1 ILE 23 1HD1 ILE 23 -0.220 -9.135 -8.371 192 3HD1 ILE 23 3HD1 ILE 23 -0.762 -9.737 -9.919 193 H LYS 24 H LYS 24 -4.160 -9.745 -12.162 194 HA LYS 24 HA LYS 24 -4.994 -12.341 -11.316 195 1HB LYS 24 2HB LYS 24 -3.695 -11.300 -13.880 196 2HB LYS 24 1HB LYS 24 -4.492 -12.856 -13.755 197 1HG LYS 24 2HG LYS 24 -6.650 -11.888 -13.398 198 2HG LYS 24 1HG LYS 24 -6.007 -10.294 -13.101 199 1HD LYS 24 2HD LYS 24 -5.310 -10.048 -15.255 200 2HD LYS 24 1HD LYS 24 -5.306 -11.756 -15.621 201 1HE LYS 24 2HE LYS 24 -7.249 -10.904 -16.767 202 2HE LYS 24 1HE LYS 24 -7.822 -11.807 -15.359 203 1HZ LYS 24 2HZ LYS 24 -7.243 -9.081 -14.695 204 2HZ LYS 24 1HZ LYS 24 -8.234 -9.088 -15.977 205 3HZ LYS 24 3HZ LYS 24 -8.721 -9.874 -14.530 206 HA PRO 25 HA PRO 25 -0.760 -14.121 -10.416 207 1HB PRO 25 2HB PRO 25 -0.154 -15.492 -12.846 208 2HB PRO 25 1HB PRO 25 -0.876 -16.157 -11.386 209 1HG PRO 25 2HG PRO 25 -2.326 -14.966 -13.824 210 2HG PRO 25 1HG PRO 25 -2.697 -16.474 -12.984 211 1HD PRO 25 2HD PRO 25 -4.202 -14.391 -12.384 212 2HD PRO 25 1HD PRO 25 -3.496 -15.243 -11.002 213 H GLY 26 H GLY 26 -0.202 -11.660 -10.602 214 1HA GLY 26 2HA GLY 26 2.051 -10.638 -10.849 215 2HA GLY 26 1HA GLY 26 2.162 -11.341 -12.456 216 H ASP 27 H ASP 27 0.293 -10.586 -13.834 217 HA ASP 27 HA ASP 27 -0.576 -8.812 -15.112 218 1HB ASP 27 2HB ASP 27 -1.842 -9.165 -12.792 219 2HB ASP 27 1HB ASP 27 -1.206 -7.590 -12.407 220 H THR 28 H THR 28 -0.707 -6.361 -15.288 221 HA THR 28 HA THR 28 1.951 -5.095 -15.098 222 HB THR 28 HB THR 28 -0.091 -4.546 -17.207 223 HG1 THR 28 HG1 THR 28 2.264 -6.084 -16.799 224 1HG2 THR 28 1HG2 THR 28 1.924 -2.803 -16.754 225 2HG2 THR 28 3HG2 THR 28 2.965 -4.177 -16.965 226 3HG2 THR 28 2HG2 THR 28 1.964 -3.620 -18.296 227 H VAL 29 H VAL 29 -0.187 -4.750 -13.281 228 HA VAL 29 HA VAL 29 -1.638 -2.294 -13.390 229 HB VAL 29 HB VAL 29 -0.315 -3.588 -10.951 230 1HG1 VAL 29 2HG1 VAL 29 -2.711 -1.644 -11.052 231 2HG1 VAL 29 1HG1 VAL 29 -2.087 -2.407 -9.606 232 3HG1 VAL 29 3HG1 VAL 29 -1.128 -1.215 -10.457 233 1HG2 VAL 29 1HG2 VAL 29 -3.116 -3.757 -12.151 234 2HG2 VAL 29 3HG2 VAL 29 -1.937 -5.051 -12.176 235 3HG2 VAL 29 2HG2 VAL 29 -2.637 -4.522 -10.651 236 H GLU 30 H GLU 30 -1.463 -0.280 -12.994 237 HA GLU 30 HA GLU 30 1.253 0.775 -12.748 238 1HB GLU 30 2HB GLU 30 0.209 0.997 -14.917 239 2HB GLU 30 1HB GLU 30 -1.185 1.780 -14.212 240 1HG GLU 30 2HG GLU 30 1.495 3.109 -13.765 241 2HG GLU 30 1HG GLU 30 0.794 3.210 -15.361 242 H PHE 31 H PHE 31 1.696 2.335 -11.369 243 HA PHE 31 HA PHE 31 -0.406 3.239 -9.377 244 1HB PHE 31 2HB PHE 31 2.573 3.234 -8.841 245 2HB PHE 31 1HB PHE 31 1.281 3.472 -7.707 246 HD1 PHE 31 HD2 PHE 31 -0.327 0.954 -9.087 247 HD2 PHE 31 HD1 PHE 31 3.478 1.610 -7.310 248 HE1 PHE 31 HE2 PHE 31 -0.214 -1.411 -8.443 249 HE2 PHE 31 HE1 PHE 31 3.592 -0.750 -6.667 250 HZ PHE 31 HZ PHE 31 1.743 -2.269 -7.231 251 H LEU 32 H LEU 32 -0.974 5.335 -9.836 252 HA LEU 32 HA LEU 32 1.004 7.250 -10.854 253 1HB LEU 32 2HB LEU 32 -0.939 6.598 -12.258 254 2HB LEU 32 1HB LEU 32 -2.014 7.248 -11.090 255 HG LEU 32 HG LEU 32 0.155 9.091 -12.206 256 1HD1 LEU 32 1HD1 LEU 32 -2.481 8.334 -13.555 257 2HD1 LEU 32 3HD1 LEU 32 -1.369 9.581 -14.103 258 3HD1 LEU 32 2HD1 LEU 32 -0.896 7.892 -14.141 259 1HD2 LEU 32 2HD2 LEU 32 -1.506 9.832 -10.420 260 2HD2 LEU 32 1HD2 LEU 32 -1.641 10.741 -11.913 261 3HD2 LEU 32 3HD2 LEU 32 -2.800 9.472 -11.550 262 H ASN 33 H ASN 33 1.632 8.943 -9.913 263 HA ASN 33 HA ASN 33 1.123 9.665 -7.204 264 1HB ASN 33 2HB ASN 33 2.672 10.812 -9.495 265 2HB ASN 33 1HB ASN 33 2.545 11.760 -8.029 266 1HD2 ASN 33 2HD2 ASN 33 4.922 8.592 -8.068 267 2HD2 ASN 33 1HD2 ASN 33 3.934 8.938 -9.429 268 H ASN 34 H ASN 34 1.053 11.938 -6.584 269 HA ASN 34 HA ASN 34 -1.411 13.341 -7.573 270 1HB ASN 34 2HB ASN 34 -2.279 13.188 -5.400 271 2HB ASN 34 1HB ASN 34 -1.082 11.941 -5.146 272 1HD2 ASN 34 2HD2 ASN 34 -0.772 15.240 -3.066 273 2HD2 ASN 34 1HD2 ASN 34 -2.136 14.914 -4.026 274 H LYS 35 H LYS 35 -1.086 15.610 -6.028 275 HA LYS 35 HA LYS 35 1.465 16.757 -7.146 276 1HB LYS 35 2HB LYS 35 -0.488 17.590 -8.176 277 2HB LYS 35 1HB LYS 35 -1.355 17.810 -6.719 278 1HG LYS 35 2HG LYS 35 1.000 19.563 -6.527 279 2HG LYS 35 1HG LYS 35 0.534 19.548 -8.183 280 1HD LYS 35 2HD LYS 35 -0.596 21.382 -6.748 281 2HD LYS 35 1HD LYS 35 -1.596 20.467 -7.847 282 1HE LYS 35 2HE LYS 35 -2.571 20.883 -5.506 283 2HE LYS 35 1HE LYS 35 -2.646 19.234 -6.087 284 1HZ LYS 35 2HZ LYS 35 -0.133 19.554 -4.845 285 2HZ LYS 35 1HZ LYS 35 -1.313 20.116 -3.744 286 3HZ LYS 35 3HZ LYS 35 -1.412 18.587 -4.437 287 H VAL 36 H VAL 36 1.363 15.368 -4.699 288 HA VAL 36 HA VAL 36 2.611 17.339 -2.842 289 HB VAL 36 HB VAL 36 0.526 15.348 -1.822 290 1HG1 VAL 36 2HG1 VAL 36 1.957 17.714 -0.521 291 2HG1 VAL 36 1HG1 VAL 36 0.749 16.718 0.262 292 3HG1 VAL 36 3HG1 VAL 36 2.280 16.019 -0.214 293 1HG2 VAL 36 1HG2 VAL 36 0.282 18.384 -2.169 294 2HG2 VAL 36 3HG2 VAL 36 -0.600 17.201 -3.123 295 3HG2 VAL 36 2HG2 VAL 36 -0.928 17.363 -1.409 296 HA PRO 37 HA PRO 37 4.724 13.253 -3.134 297 1HB PRO 37 2HB PRO 37 6.396 13.649 -5.180 298 2HB PRO 37 1HB PRO 37 4.670 13.854 -5.470 299 1HG PRO 37 2HG PRO 37 6.725 16.044 -4.776 300 2HG PRO 37 1HG PRO 37 5.626 16.026 -6.152 301 1HD PRO 37 2HD PRO 37 5.096 17.204 -3.594 302 2HD PRO 37 1HD PRO 37 3.850 16.832 -4.810 303 HA PRO 38 HA PRO 38 7.013 12.265 -3.955 304 1HB PRO 38 2HB PRO 38 9.280 11.098 -3.341 305 2HB PRO 38 1HB PRO 38 9.292 12.826 -3.728 306 1HG PRO 38 2HG PRO 38 9.312 11.553 -0.937 307 2HG PRO 38 1HG PRO 38 10.302 12.890 -1.523 308 1HD PRO 38 2HD PRO 38 7.749 13.107 -0.161 309 2HD PRO 38 1HD PRO 38 8.614 14.444 -0.944 310 H HIS 39 HN HIP 39 6.131 10.343 -4.205 311 HA HIS 39 HA HIP 39 5.402 8.804 -1.735 312 1HB HIS 39 2HB HIP 39 4.068 8.850 -4.452 313 2HB HIS 39 1HB HIP 39 3.455 7.932 -3.082 314 HD2 HIS 39 HD2 HIP 39 3.027 11.213 -4.749 315 HE1 HIS 39 HE1 HIP 39 1.868 11.928 -0.815 316 HE2 HIS 39 HE2 HIP 39 1.893 12.764 -3.107 317 H ASN 40 H ASN 40 7.557 7.915 -1.913 318 HA ASN 40 HA ASN 40 8.032 5.894 -3.998 319 1HB ASN 40 2HB ASN 40 9.960 7.126 -3.025 320 2HB ASN 40 1HB ASN 40 9.487 6.631 -1.404 321 1HD2 ASN 40 2HD2 ASN 40 10.593 3.247 -2.054 322 2HD2 ASN 40 1HD2 ASN 40 9.246 3.999 -1.379 323 H VAL 41 H VAL 41 6.793 4.046 -3.929 324 HA VAL 41 HA VAL 41 5.946 3.100 -1.251 325 HB VAL 41 HB VAL 41 4.793 1.302 -2.382 326 1HG1 VAL 41 3HG1 VAL 41 3.633 3.474 -1.965 327 2HG1 VAL 41 2HG1 VAL 41 4.214 4.123 -3.490 328 3HG1 VAL 41 1HG1 VAL 41 3.049 2.810 -3.483 329 1HG2 VAL 41 2HG2 VAL 41 6.162 1.132 -4.518 330 2HG2 VAL 41 1HG2 VAL 41 4.482 1.423 -4.911 331 3HG2 VAL 41 3HG2 VAL 41 5.638 2.734 -4.992 332 H VAL 42 H VAL 42 6.765 1.676 -0.198 333 HA VAL 42 HA VAL 42 9.010 -0.040 -1.129 334 HB VAL 42 HB VAL 42 8.057 0.841 1.615 335 1HG1 VAL 42 1HG1 VAL 42 10.630 -0.424 0.634 336 2HG1 VAL 42 3HG1 VAL 42 10.297 0.101 2.298 337 3HG1 VAL 42 2HG1 VAL 42 9.325 -1.200 1.592 338 1HG2 VAL 42 3HG2 VAL 42 10.352 1.907 -0.113 339 2HG2 VAL 42 2HG2 VAL 42 8.874 2.769 0.277 340 3HG2 VAL 42 1HG2 VAL 42 10.014 2.394 1.536 341 H PHE 43 H PHE 43 8.597 -2.321 -1.130 342 HA PHE 43 HA PHE 43 5.852 -3.222 -0.595 343 1HB PHE 43 2HB PHE 43 8.039 -4.265 -2.276 344 2HB PHE 43 1HB PHE 43 7.115 -5.464 -1.432 345 HD1 PHE 43 HD1 PHE 43 6.025 -2.157 -2.948 346 HD2 PHE 43 HD2 PHE 43 5.555 -6.381 -2.816 347 HE1 PHE 43 HE1 PHE 43 4.164 -1.997 -4.525 348 HE2 PHE 43 HE2 PHE 43 3.683 -6.216 -4.396 349 HZ PHE 43 HZ PHE 43 2.985 -4.019 -5.252 350 H ASP 44 H ASP 44 5.428 -4.876 1.091 351 HA ASP 44 HA ASP 44 7.670 -4.949 3.013 352 1HB ASP 44 2HB ASP 44 5.115 -4.334 3.521 353 2HB ASP 44 1HB ASP 44 4.931 -6.062 3.602 354 H ALA 45 H ALA 45 7.916 -6.512 4.544 355 HA ALA 45 HA ALA 45 8.541 -9.160 3.425 356 1HB ALA 45 2HB ALA 45 9.778 -7.584 5.724 357 2HB ALA 45 1HB ALA 45 10.329 -9.169 5.196 358 3HB ALA 45 3HB ALA 45 10.466 -7.795 4.116 359 H ALA 46 H ALA 46 6.573 -7.696 5.682 360 HA ALA 46 HA ALA 46 5.977 -10.238 7.163 361 1HB ALA 46 1HB ALA 46 5.436 -7.290 7.862 362 2HB ALA 46 3HB ALA 46 5.044 -8.652 8.902 363 3HB ALA 46 2HB ALA 46 6.721 -8.266 8.538 364 H LEU 47 H LEU 47 4.467 -7.431 5.659 365 HA LEU 47 HA LEU 47 1.855 -8.831 5.399 366 1HB LEU 47 2HB LEU 47 2.780 -6.005 4.753 367 2HB LEU 47 1HB LEU 47 1.169 -6.589 4.366 368 HG LEU 47 HG LEU 47 0.830 -7.086 6.829 369 1HD1 LEU 47 2HD1 LEU 47 3.396 -5.438 7.058 370 2HD1 LEU 47 1HD1 LEU 47 2.355 -5.871 8.403 371 3HD1 LEU 47 3HD1 LEU 47 3.223 -7.111 7.538 372 1HD2 LEU 47 3HD2 LEU 47 -0.025 -5.043 5.704 373 2HD2 LEU 47 2HD2 LEU 47 0.455 -4.686 7.360 374 3HD2 LEU 47 1HD2 LEU 47 1.503 -4.226 6.025 375 H ASN 48 H ASN 48 3.361 -10.330 3.961 376 HA ASN 48 HA ASN 48 2.309 -10.123 1.283 377 1HB ASN 48 2HB ASN 48 4.014 -8.718 0.602 378 2HB ASN 48 1HB ASN 48 5.006 -9.115 1.981 379 1HD2 ASN 48 2HD2 ASN 48 7.167 -10.686 -0.079 380 2HD2 ASN 48 1HD2 ASN 48 6.854 -9.428 1.034 381 HA PRO 49 HA PRO 49 2.436 -14.576 1.693 382 1HB PRO 49 2HB PRO 49 2.715 -15.310 -1.014 383 2HB PRO 49 1HB PRO 49 1.183 -14.813 -0.307 384 1HG PRO 49 2HG PRO 49 3.246 -13.059 -1.711 385 2HG PRO 49 1HG PRO 49 1.525 -13.185 -2.082 386 1HD PRO 49 2HD PRO 49 2.291 -11.152 -0.553 387 2HD PRO 49 1HD PRO 49 0.921 -12.110 0.057 388 H ALA 50 H ALA 50 4.880 -13.063 -0.259 389 HA ALA 50 HA ALA 50 6.903 -15.106 0.627 390 1HB ALA 50 1HB ALA 50 7.267 -12.818 -1.363 391 2HB ALA 50 3HB ALA 50 8.439 -14.056 -0.977 392 3HB ALA 50 2HB ALA 50 6.971 -14.499 -1.851 393 H LYS 51 H LYS 51 6.386 -14.113 2.645 394 HA LYS 51 HA LYS 51 7.117 -11.523 3.546 395 1HB LYS 51 2HB LYS 51 7.106 -12.798 5.827 396 2HB LYS 51 1HB LYS 51 5.663 -12.822 4.855 397 1HG LYS 51 2HG LYS 51 6.283 -15.119 5.810 398 2HG LYS 51 1HG LYS 51 5.984 -15.102 4.105 399 1HD LYS 51 2HD LYS 51 8.004 -16.432 4.460 400 2HD LYS 51 1HD LYS 51 8.531 -14.956 3.706 401 1HE LYS 51 2HE LYS 51 8.678 -14.260 6.374 402 2HE LYS 51 1HE LYS 51 8.986 -15.985 6.468 403 1HZ LYS 51 2HZ LYS 51 10.462 -14.880 4.242 404 2HZ LYS 51 1HZ LYS 51 10.663 -13.925 5.555 405 3HZ LYS 51 3HZ LYS 51 11.117 -15.566 5.655 406 H SER 52 H SER 52 9.294 -12.302 1.971 407 HA SER 52 HA SER 52 11.581 -12.584 3.786 408 1HB SER 52 2HB SER 52 11.440 -13.409 0.931 409 2HB SER 52 1HB SER 52 12.720 -13.726 2.114 410 HG SER 52 HG SER 52 10.764 -15.198 1.745 411 H ALA 53 H ALA 53 13.418 -11.920 1.638 412 HA ALA 53 HA ALA 53 13.086 -8.909 1.504 413 1HB ALA 53 2HB ALA 53 15.645 -10.604 1.768 414 2HB ALA 53 1HB ALA 53 15.617 -8.849 1.686 415 3HB ALA 53 3HB ALA 53 14.910 -9.679 3.062 416 H ASP 54 H ASP 54 14.841 -11.472 0.074 417 HA ASP 54 HA ASP 54 15.816 -11.026 -2.250 418 1HB ASP 54 2HB ASP 54 14.437 -13.363 -2.810 419 2HB ASP 54 1HB ASP 54 15.602 -13.319 -1.497 420 H LEU 55 H LEU 55 12.467 -11.715 -2.444 421 HA LEU 55 HA LEU 55 12.158 -10.182 -4.995 422 1HB LEU 55 2HB LEU 55 11.426 -12.604 -4.747 423 2HB LEU 55 1HB LEU 55 10.309 -12.146 -3.502 424 HG LEU 55 HG LEU 55 9.201 -12.541 -5.728 425 1HD1 LEU 55 1HD1 LEU 55 8.131 -10.919 -4.152 426 2HD1 LEU 55 3HD1 LEU 55 9.022 -9.605 -4.913 427 3HD1 LEU 55 2HD1 LEU 55 7.870 -10.537 -5.842 428 1HD2 LEU 55 1HD2 LEU 55 11.043 -11.750 -7.158 429 2HD2 LEU 55 3HD2 LEU 55 9.537 -10.947 -7.532 430 3HD2 LEU 55 2HD2 LEU 55 10.769 -10.093 -6.626 431 H ALA 56 H ALA 56 10.494 -10.631 -1.962 432 HA ALA 56 HA ALA 56 8.609 -8.723 -1.690 433 1HB ALA 56 1HB ALA 56 9.399 -10.225 0.140 434 2HB ALA 56 3HB ALA 56 10.852 -9.267 0.305 435 3HB ALA 56 2HB ALA 56 9.298 -8.585 0.746 436 H LYS 57 H LYS 57 11.996 -7.826 -1.530 437 HA LYS 57 HA LYS 57 11.191 -4.930 -1.579 438 1HB LYS 57 2HB LYS 57 13.975 -6.277 -1.178 439 2HB LYS 57 1HB LYS 57 13.661 -4.600 -0.834 440 1HG LYS 57 2HG LYS 57 12.175 -6.804 0.689 441 2HG LYS 57 1HG LYS 57 13.806 -6.385 1.135 442 1HD LYS 57 2HD LYS 57 12.143 -5.155 2.521 443 2HD LYS 57 1HD LYS 57 13.163 -4.057 1.611 444 1HE LYS 57 2HE LYS 57 11.382 -3.687 -0.025 445 2HE LYS 57 1HE LYS 57 10.403 -4.936 0.738 446 1HZ LYS 57 3HZ LYS 57 11.176 -3.146 2.791 447 2HZ LYS 57 2HZ LYS 57 10.715 -2.200 1.468 448 3HZ LYS 57 1HZ LYS 57 9.655 -3.295 2.143 449 H SER 58 H SER 58 13.161 -7.133 -3.434 450 HA SER 58 HA SER 58 13.996 -5.190 -5.393 451 1HB SER 58 2HB SER 58 13.516 -8.157 -5.883 452 2HB SER 58 1HB SER 58 14.562 -7.071 -6.819 453 HG SER 58 HG SER 58 15.051 -8.307 -4.504 454 H LEU 59 H LEU 59 11.067 -5.567 -4.708 455 HA LEU 59 HA LEU 59 9.824 -5.439 -7.407 456 1HB LEU 59 2HB LEU 59 9.218 -7.238 -5.582 457 2HB LEU 59 1HB LEU 59 8.512 -5.934 -4.664 458 HG LEU 59 HG LEU 59 7.684 -6.716 -7.497 459 1HD1 LEU 59 3HD1 LEU 59 6.390 -7.183 -4.777 460 2HD1 LEU 59 2HD1 LEU 59 5.706 -7.604 -6.336 461 3HD1 LEU 59 1HD1 LEU 59 7.145 -8.411 -5.779 462 1HD2 LEU 59 2HD2 LEU 59 6.419 -4.807 -5.469 463 2HD2 LEU 59 1HD2 LEU 59 7.213 -4.313 -6.952 464 3HD2 LEU 59 3HD2 LEU 59 5.737 -5.245 -7.023 465 H SER 60 H SER 60 9.712 -4.010 -4.003 466 HA SER 60 HA SER 60 8.618 -1.546 -5.148 467 1HB SER 60 2HB SER 60 8.645 -0.890 -2.819 468 2HB SER 60 1HB SER 60 7.985 -2.487 -3.089 469 HG SER 60 HG SER 60 10.675 -2.751 -2.904 470 H HIS 61 H HIS 61 9.543 0.453 -3.720 471 HA HIS 61 HA HIS 61 12.337 0.897 -4.691 472 1HB HIS 61 2HB HIS 61 10.217 3.042 -4.175 473 2HB HIS 61 1HB HIS 61 11.608 3.165 -5.244 474 HD1 HIS 61 HD1 HIS 61 10.968 0.401 -6.648 475 HD2 HIS 61 HD2 HIS 61 8.333 3.464 -6.144 476 HE1 HIS 61 HE1 HIS 61 9.216 0.130 -8.405 477 H LYS 62 H LYS 62 12.600 3.365 -3.218 478 HA LYS 62 HA LYS 62 12.733 2.362 -0.371 479 1HB LYS 62 2HB LYS 62 14.821 3.870 -1.971 480 2HB LYS 62 1HB LYS 62 14.916 3.624 -0.228 481 1HG LYS 62 2HG LYS 62 14.749 1.124 -0.568 482 2HG LYS 62 1HG LYS 62 14.694 1.327 -2.290 483 1HD LYS 62 2HD LYS 62 17.045 2.181 -0.510 484 2HD LYS 62 1HD LYS 62 16.969 0.659 -1.372 485 1HE LYS 62 2HE LYS 62 16.815 1.910 -3.539 486 2HE LYS 62 1HE LYS 62 16.993 3.424 -2.653 487 1HZ LYS 62 2HZ LYS 62 18.981 1.623 -1.733 488 2HZ LYS 62 1HZ LYS 62 19.065 1.621 -3.417 489 3HZ LYS 62 3HZ LYS 62 19.237 3.070 -2.563 490 H GLN 63 H GLN 63 13.777 5.511 -1.521 491 HA GLN 63 HA GLN 63 11.456 6.759 -0.229 492 1HB GLN 63 2HB GLN 63 13.198 6.297 1.544 493 2HB GLN 63 1HB GLN 63 14.323 7.324 0.684 494 1HG GLN 63 2HG GLN 63 11.937 8.947 1.051 495 2HG GLN 63 1HG GLN 63 12.204 8.105 2.562 496 1HE2 GLN 63 2HE2 GLN 63 14.850 10.879 1.404 497 2HE2 GLN 63 1HE2 GLN 63 13.780 10.199 0.245 498 H LEU 64 H LEU 64 12.270 6.824 -2.983 499 HA LEU 64 HA LEU 64 12.602 9.795 -3.288 500 1HB LEU 64 2HB LEU 64 14.234 9.272 -5.189 501 2HB LEU 64 1HB LEU 64 14.765 9.023 -3.548 502 HG LEU 64 HG LEU 64 14.446 6.587 -3.747 503 1HD1 LEU 64 3HD1 LEU 64 13.525 7.216 -6.590 504 2HD1 LEU 64 2HD1 LEU 64 13.779 5.604 -5.952 505 3HD1 LEU 64 1HD1 LEU 64 12.477 6.594 -5.333 506 1HD2 LEU 64 1HD2 LEU 64 15.837 7.811 -6.161 507 2HD2 LEU 64 3HD2 LEU 64 16.560 7.618 -4.578 508 3HD2 LEU 64 2HD2 LEU 64 16.149 6.205 -5.540 509 H LEU 65 H LEU 65 9.947 8.751 -3.906 510 HA LEU 65 HA LEU 65 9.958 9.038 -6.907 511 1HB LEU 65 2HB LEU 65 8.809 7.027 -5.922 512 2HB LEU 65 1HB LEU 65 7.702 8.099 -5.079 513 HG LEU 65 HG LEU 65 6.889 9.007 -7.254 514 1HD1 LEU 65 3HD1 LEU 65 8.748 6.903 -8.472 515 2HD1 LEU 65 2HD1 LEU 65 7.583 7.869 -9.355 516 3HD1 LEU 65 1HD1 LEU 65 8.958 8.639 -8.631 517 1HD2 LEU 65 3HD2 LEU 65 6.906 5.966 -7.099 518 2HD2 LEU 65 2HD2 LEU 65 5.746 7.025 -6.317 519 3HD2 LEU 65 1HD2 LEU 65 5.794 6.908 -8.061 520 H MET 66 H MET 66 10.414 11.226 -6.712 521 HA MET 66 HA MET 66 8.257 13.084 -5.770 522 1HB MET 66 2HB MET 66 10.724 13.241 -5.259 523 2HB MET 66 1HB MET 66 10.913 13.653 -6.963 524 1HG MET 66 2HG MET 66 9.604 15.656 -6.757 525 2HG MET 66 1HG MET 66 9.049 15.248 -5.156 526 1HE MET 66 1HE MET 66 10.887 14.896 -3.144 527 2HE MET 66 3HE MET 66 11.577 16.467 -2.793 528 3HE MET 66 2HE MET 66 9.865 16.354 -3.146 529 H SER 67 H SER 67 7.460 11.751 -7.460 530 HA SER 67 HA SER 67 7.423 12.900 -10.231 531 1HB SER 67 2HB SER 67 6.450 10.274 -9.122 532 2HB SER 67 1HB SER 67 6.202 10.738 -10.802 533 HG SER 67 HG SER 67 8.224 10.493 -11.157 534 HA PRO 68 HA PRO 68 3.543 14.588 -8.065 535 1HB PRO 68 2HB PRO 68 3.605 17.109 -9.207 536 2HB PRO 68 1HB PRO 68 4.500 16.681 -7.754 537 1HG PRO 68 2HG PRO 68 5.451 16.527 -10.676 538 2HG PRO 68 1HG PRO 68 6.237 17.412 -9.364 539 1HD PRO 68 2HD PRO 68 7.159 15.003 -9.921 540 2HD PRO 68 1HD PRO 68 6.803 15.318 -8.206 541 H GLY 69 H GLY 69 2.663 12.911 -9.553 542 1HA GLY 69 2HA GLY 69 0.333 12.828 -10.615 543 2HA GLY 69 1HA GLY 69 0.863 14.123 -11.667 544 H GLN 70 H GLN 70 3.267 11.883 -11.226 545 HA GLN 70 HA GLN 70 2.701 10.619 -13.889 546 1HB GLN 70 2HB GLN 70 4.700 11.925 -13.924 547 2HB GLN 70 1HB GLN 70 5.222 11.373 -12.365 548 1HG GLN 70 2HG GLN 70 5.499 8.974 -13.501 549 2HG GLN 70 1HG GLN 70 5.301 9.810 -15.028 550 1HE2 GLN 70 2HE2 GLN 70 8.692 10.617 -14.942 551 2HE2 GLN 70 1HE2 GLN 70 7.332 10.267 -15.917 552 H SER 71 H SER 71 3.142 8.396 -14.205 553 HA SER 71 HA SER 71 2.922 6.767 -11.722 554 1HB SER 71 2HB SER 71 1.612 5.239 -12.949 555 2HB SER 71 1HB SER 71 0.916 6.859 -12.972 556 HG SER 71 HG SER 71 1.069 5.827 -15.029 557 H THR 72 H THR 72 3.275 4.628 -11.807 558 HA THR 72 HA THR 72 5.742 3.669 -13.277 559 HB THR 72 HB THR 72 6.419 3.664 -11.037 560 HG1 THR 72 HG1 THR 72 5.420 1.060 -10.994 561 1HG2 THR 72 3HG2 THR 72 3.874 2.123 -10.345 562 2HG2 THR 72 2HG2 THR 72 5.164 2.593 -9.248 563 3HG2 THR 72 1HG2 THR 72 4.129 3.824 -9.967 564 H SER 73 H SER 73 5.368 1.940 -14.646 565 HA SER 73 HA SER 73 2.789 0.425 -14.548 566 1HB SER 73 2HB SER 73 5.198 0.225 -16.443 567 2HB SER 73 1HB SER 73 3.713 -0.715 -16.630 568 HG SER 73 HG SER 73 3.091 1.922 -16.180 569 H THR 74 H THR 74 3.173 -0.347 -12.550 570 HA THR 74 HA THR 74 5.385 -2.020 -11.731 571 HB THR 74 HB THR 74 2.621 -1.919 -10.405 572 HG1 THR 74 HG1 THR 74 3.309 -0.079 -9.615 573 1HG2 THR 74 3HG2 THR 74 4.457 -3.540 -9.553 574 2HG2 THR 74 2HG2 THR 74 5.496 -2.131 -9.363 575 3HG2 THR 74 1HG2 THR 74 4.038 -2.282 -8.405 576 H THR 75 H THR 75 5.375 -3.332 -13.561 577 HA THR 75 HA THR 75 3.328 -5.509 -13.654 578 HB THR 75 HB THR 75 4.593 -4.268 -15.745 579 HG1 THR 75 HG1 THR 75 4.318 -7.061 -15.907 580 1HG2 THR 75 3HG2 THR 75 6.149 -6.893 -15.352 581 2HG2 THR 75 2HG2 THR 75 6.240 -5.798 -16.721 582 3HG2 THR 75 1HG2 THR 75 6.872 -5.311 -15.155 583 H PHE 76 H PHE 76 3.761 -7.580 -13.248 584 HA PHE 76 HA PHE 76 6.176 -8.046 -11.520 585 1HB PHE 76 2HB PHE 76 3.577 -9.526 -11.774 586 2HB PHE 76 1HB PHE 76 4.859 -10.067 -10.705 587 HD1 PHE 76 HD1 PHE 76 2.964 -6.853 -11.432 588 HD2 PHE 76 HD2 PHE 76 4.641 -9.417 -8.479 589 HE1 PHE 76 HE1 PHE 76 2.141 -5.371 -9.712 590 HE2 PHE 76 HE2 PHE 76 3.772 -7.924 -6.723 591 HZ PHE 76 HZ PHE 76 2.534 -5.880 -7.337 592 HA PRO 77 HA PRO 77 8.160 -10.805 -14.398 593 1HB PRO 77 2HB PRO 77 9.771 -12.133 -12.616 594 2HB PRO 77 1HB PRO 77 10.091 -10.483 -13.204 595 1HG PRO 77 2HG PRO 77 8.874 -11.461 -10.622 596 2HG PRO 77 1HG PRO 77 10.007 -10.152 -10.839 597 1HD PRO 77 2HD PRO 77 7.330 -9.707 -10.520 598 2HD PRO 77 1HD PRO 77 8.347 -8.618 -11.489 599 H ALA 78 H ALA 78 5.698 -11.789 -13.989 600 HA ALA 78 HA ALA 78 4.365 -13.774 -13.916 601 1HB ALA 78 2HB ALA 78 5.598 -13.902 -16.094 602 2HB ALA 78 1HB ALA 78 6.939 -14.695 -15.275 603 3HB ALA 78 3HB ALA 78 5.396 -15.518 -15.425 604 H ASP 79 H ASP 79 5.963 -13.282 -11.665 605 HA ASP 79 HA ASP 79 6.554 -15.905 -10.420 606 1HB ASP 79 2HB ASP 79 7.836 -14.422 -8.803 607 2HB ASP 79 1HB ASP 79 8.293 -14.043 -10.452 608 H ALA 80 H ALA 80 5.185 -12.955 -9.468 609 HA ALA 80 HA ALA 80 3.882 -12.816 -7.273 610 1HB ALA 80 2HB ALA 80 3.579 -11.322 -9.124 611 2HB ALA 80 1HB ALA 80 2.541 -12.492 -9.930 612 3HB ALA 80 3HB ALA 80 1.986 -11.689 -8.464 613 HA PRO 81 HA PRO 81 1.464 -16.778 -6.944 614 1HB PRO 81 2HB PRO 81 2.039 -17.146 -4.247 615 2HB PRO 81 1HB PRO 81 3.091 -17.746 -5.539 616 1HG PRO 81 2HG PRO 81 3.287 -15.039 -4.085 617 2HG PRO 81 1HG PRO 81 4.556 -16.256 -4.219 618 1HD PRO 81 2HD PRO 81 4.558 -14.249 -5.978 619 2HD PRO 81 1HD PRO 81 4.768 -15.888 -6.634 620 H ALA 82 H ALA 82 -0.461 -17.104 -5.489 621 HA ALA 82 HA ALA 82 -1.939 -14.613 -5.374 622 1HB ALA 82 1HB ALA 82 -2.715 -17.462 -4.544 623 2HB ALA 82 3HB ALA 82 -3.837 -16.121 -4.703 624 3HB ALA 82 2HB ALA 82 -2.990 -16.707 -6.109 625 H GLY 83 H GLY 83 -3.144 -13.879 -3.634 626 1HA GLY 83 2HA GLY 83 -3.492 -13.832 -1.069 627 2HA GLY 83 1HA GLY 83 -1.737 -14.006 -0.943 628 H GLU 84 H GLU 84 -1.862 -11.936 0.315 629 HA GLU 84 HA GLU 84 -2.246 -9.515 -1.419 630 1HB GLU 84 2HB GLU 84 -3.762 -9.718 0.566 631 2HB GLU 84 1HB GLU 84 -2.345 -9.702 1.586 632 1HG GLU 84 2HG GLU 84 -1.782 -7.390 0.214 633 2HG GLU 84 1HG GLU 84 -3.513 -7.418 0.002 634 H TYR 85 H TYR 85 -0.723 -8.097 -1.783 635 HA TYR 85 HA TYR 85 1.919 -8.252 -0.365 636 1HB TYR 85 2HB TYR 85 1.333 -7.162 -3.104 637 2HB TYR 85 1HB TYR 85 2.891 -7.198 -2.345 638 HD1 TYR 85 HD1 TYR 85 4.028 -9.394 -1.937 639 HD2 TYR 85 HD2 TYR 85 0.435 -9.081 -4.188 640 HE1 TYR 85 HE1 TYR 85 4.427 -11.628 -2.913 641 HE2 TYR 85 HE2 TYR 85 0.893 -11.341 -5.134 642 HH TYR 85 HH TYR 85 1.958 -13.130 -4.882 643 H THR 86 H THR 86 1.786 -6.519 1.195 644 HA THR 86 HA THR 86 0.387 -3.998 0.399 645 HB THR 86 HB THR 86 1.469 -4.929 3.098 646 HG1 THR 86 HG1 THR 86 -0.762 -5.286 2.582 647 1HG2 THR 86 1HG2 THR 86 0.312 -2.189 2.345 648 2HG2 THR 86 3HG2 THR 86 0.720 -2.746 3.972 649 3HG2 THR 86 2HG2 THR 86 1.989 -2.398 2.816 650 H PHE 87 H PHE 87 1.222 -2.140 0.037 651 HA PHE 87 HA PHE 87 4.119 -1.733 -0.062 652 1HB PHE 87 2HB PHE 87 3.076 0.231 -1.704 653 2HB PHE 87 1HB PHE 87 3.914 -1.221 -2.180 654 HD1 PHE 87 HD2 PHE 87 2.380 -3.358 -2.310 655 HD2 PHE 87 HD1 PHE 87 1.004 0.646 -2.559 656 HE1 PHE 87 HE2 PHE 87 0.432 -4.131 -3.486 657 HE2 PHE 87 HE1 PHE 87 -0.983 -0.098 -3.756 658 HZ PHE 87 HZ PHE 87 -1.310 -2.495 -4.244 659 H TYR 88 H TYR 88 4.867 -0.064 1.256 660 HA TYR 88 HA TYR 88 2.995 1.977 2.282 661 1HB TYR 88 2HB TYR 88 4.807 2.111 4.196 662 2HB TYR 88 1HB TYR 88 3.660 0.793 4.166 663 HD1 TYR 88 HD1 TYR 88 4.405 -1.356 2.885 664 HD2 TYR 88 HD2 TYR 88 7.100 1.598 4.297 665 HE1 TYR 88 HE1 TYR 88 6.216 -2.958 2.810 666 HE2 TYR 88 HE2 TYR 88 8.911 -0.042 4.238 667 HH TYR 88 HH TYR 88 8.221 -3.214 4.157 668 H CYS 89 H CYS 89 3.618 4.098 2.507 669 HA CYS 89 HA CYS 89 5.931 5.037 0.817 670 1HB CYS 89 2HB CYS 89 3.739 5.455 -0.058 671 2HB CYS 89 1HB CYS 89 3.219 6.162 1.442 672 H GLU 90 H GLU 90 6.633 4.479 3.424 673 HA GLU 90 HA GLU 90 6.762 5.738 5.601 674 1HB GLU 90 2HB GLU 90 9.222 5.636 3.805 675 2HB GLU 90 1HB GLU 90 9.279 5.803 5.547 676 1HG GLU 90 2HG GLU 90 8.210 3.410 3.928 677 2HG GLU 90 1HG GLU 90 9.571 3.424 5.006 678 HA PRO 91 HA PRO 91 8.623 10.197 4.972 679 1HB PRO 91 2HB PRO 91 8.126 11.213 2.403 680 2HB PRO 91 1HB PRO 91 9.679 10.555 2.924 681 1HG PRO 91 2HG PRO 91 7.369 9.033 1.550 682 2HG PRO 91 1HG PRO 91 9.057 9.100 1.026 683 1HD PRO 91 2HD PRO 91 8.308 6.996 2.455 684 2HD PRO 91 1HD PRO 91 9.775 7.830 3.028 685 H HIS 92 HN HIP 92 5.924 8.932 3.496 686 HA HIS 92 HA HIP 92 4.026 11.033 4.414 687 1HB HIS 92 2HB HIP 92 4.257 10.668 1.988 688 2HB HIS 92 1HB HIP 92 4.054 8.949 2.199 689 HD2 HIS 92 HD2 HIP 92 1.216 10.496 4.160 690 HE1 HIS 92 HE1 HIP 92 -0.143 10.010 0.263 691 HE2 HIS 92 HE2 HIP 92 -0.760 10.430 2.527 692 H ARG 93 H ARG 93 5.088 9.010 6.207 693 HA ARG 93 HA ARG 93 3.020 6.950 6.570 694 1HB ARG 93 2HB ARG 93 4.393 6.257 8.436 695 2HB ARG 93 1HB ARG 93 5.420 6.579 7.045 696 1HG ARG 93 2HG ARG 93 5.664 8.997 8.170 697 2HG ARG 93 1HG ARG 93 5.083 8.197 9.611 698 1HD ARG 93 2HD ARG 93 7.532 7.444 7.968 699 2HD ARG 93 1HD ARG 93 7.546 8.153 9.578 700 HE ARG 93 HE ARG 93 6.439 5.971 10.398 701 1HH1 ARG 93 2HH1 ARG 93 5.422 4.627 8.403 702 2HH1 ARG 93 1HH1 ARG 93 6.652 3.577 7.791 703 1HH2 ARG 93 1HH2 ARG 93 9.085 5.436 9.289 704 2HH2 ARG 93 2HH2 ARG 93 8.736 4.038 8.307 705 H GLY 94 H GLY 94 1.809 9.289 6.636 706 1HA GLY 94 2HA GLY 94 0.668 9.530 9.437 707 2HA GLY 94 1HA GLY 94 0.883 10.964 8.439 708 H ALA 95 H ALA 95 -0.082 10.457 6.136 709 HA ALA 95 HA ALA 95 -2.973 9.918 6.577 710 1HB ALA 95 3HB ALA 95 -1.397 11.002 4.178 711 2HB ALA 95 2HB ALA 95 -3.143 10.964 4.285 712 3HB ALA 95 1HB ALA 95 -2.218 11.995 5.371 713 H GLY 96 H GLY 96 -2.162 7.813 7.047 714 1HA GLY 96 2HA GLY 96 -1.439 5.535 6.470 715 2HA GLY 96 1HA GLY 96 -3.126 5.628 6.057 716 H MET 97 H MET 97 -0.197 6.609 4.309 717 HA MET 97 HA MET 97 -1.343 5.415 1.874 718 1HB MET 97 2HB MET 97 -0.118 7.590 1.888 719 2HB MET 97 1HB MET 97 1.364 6.766 2.328 720 1HG MET 97 2HG MET 97 1.388 5.516 0.234 721 2HG MET 97 1HG MET 97 -0.265 5.921 -0.092 722 1HE MET 97 1HE MET 97 -1.094 8.239 -0.380 723 2HE MET 97 3HE MET 97 -0.467 9.058 -1.794 724 3HE MET 97 2HE MET 97 -0.956 7.368 -1.906 725 H VAL 98 H VAL 98 -1.377 3.432 3.112 726 HA VAL 98 HA VAL 98 0.958 1.569 2.659 727 HB VAL 98 HB VAL 98 -1.325 1.390 4.639 728 1HG1 VAL 98 2HG1 VAL 98 1.222 -0.272 4.307 729 2HG1 VAL 98 1HG1 VAL 98 0.054 -0.455 5.605 730 3HG1 VAL 98 3HG1 VAL 98 -0.403 -0.836 3.954 731 1HG2 VAL 98 2HG2 VAL 98 1.650 2.029 5.001 732 2HG2 VAL 98 1HG2 VAL 98 0.343 3.185 5.172 733 3HG2 VAL 98 3HG2 VAL 98 0.488 1.854 6.303 734 H GLY 99 H GLY 99 0.059 1.529 0.351 735 1HA GLY 99 2HA GLY 99 -2.564 0.519 -0.337 736 2HA GLY 99 1HA GLY 99 -1.209 0.608 -1.425 737 H LYS 100 H LYS 100 -3.131 -1.298 -1.501 738 HA LYS 100 HA LYS 100 -1.543 -3.759 -1.046 739 1HB LYS 100 2HB LYS 100 -4.233 -3.034 0.017 740 2HB LYS 100 1HB LYS 100 -4.022 -4.707 -0.465 741 1HG LYS 100 2HG LYS 100 -2.173 -5.058 0.879 742 2HG LYS 100 1HG LYS 100 -1.898 -3.371 1.164 743 1HD LYS 100 2HD LYS 100 -4.508 -4.707 2.056 744 2HD LYS 100 1HD LYS 100 -3.096 -4.863 3.045 745 1HE LYS 100 2HE LYS 100 -4.258 -2.223 2.203 746 2HE LYS 100 1HE LYS 100 -4.434 -2.989 3.792 747 1HZ LYS 100 2HZ LYS 100 -1.734 -3.146 3.000 748 2HZ LYS 100 1HZ LYS 100 -2.199 -1.528 2.794 749 3HZ LYS 100 3HZ LYS 100 -2.325 -2.280 4.314 750 H ILE 101 H ILE 101 -1.162 -4.882 -2.729 751 HA ILE 101 HA ILE 101 -3.251 -5.166 -4.877 752 HB ILE 101 HB ILE 101 -0.658 -4.345 -5.363 753 1HG1 ILE 101 2HG1 ILE 101 -2.497 -6.132 -6.999 754 2HG1 ILE 101 1HG1 ILE 101 -2.312 -4.388 -7.056 755 1HG2 ILE 101 1HG2 ILE 101 0.285 -6.489 -4.480 756 2HG2 ILE 101 3HG2 ILE 101 -0.558 -7.385 -5.731 757 3HG2 ILE 101 2HG2 ILE 101 0.706 -6.250 -6.159 758 1HD1 ILE 101 1HD1 ILE 101 0.013 -4.674 -8.045 759 2HD1 ILE 101 3HD1 ILE 101 -0.212 -6.411 -8.035 760 3HD1 ILE 101 2HD1 ILE 101 -1.202 -5.422 -9.054 761 H THR 102 H THR 102 -4.148 -7.063 -4.839 762 HA THR 102 HA THR 102 -3.042 -9.422 -3.362 763 HB THR 102 HB THR 102 -5.556 -10.253 -3.504 764 HG1 THR 102 HG1 THR 102 -5.632 -7.671 -4.485 765 1HG2 THR 102 2HG2 THR 102 -4.968 -7.712 -1.921 766 2HG2 THR 102 1HG2 THR 102 -6.211 -8.906 -1.579 767 3HG2 THR 102 3HG2 THR 102 -4.520 -9.320 -1.385 768 H VAL 103 H VAL 103 -2.800 -11.376 -4.472 769 HA VAL 103 HA VAL 103 -3.654 -11.249 -7.375 770 HB VAL 103 HB VAL 103 -1.420 -12.984 -6.266 771 1HG1 VAL 103 1HG1 VAL 103 -2.074 -11.918 -9.001 772 2HG1 VAL 103 3HG1 VAL 103 -0.722 -12.965 -8.587 773 3HG1 VAL 103 2HG1 VAL 103 -2.363 -13.576 -8.504 774 1HG2 VAL 103 1HG2 VAL 103 -1.318 -10.212 -7.265 775 2HG2 VAL 103 3HG2 VAL 103 -0.908 -10.742 -5.681 776 3HG2 VAL 103 2HG2 VAL 103 0.077 -11.252 -7.057 777 H ALA 104 H ALA 104 -4.988 -12.661 -8.143 778 HA ALA 104 HA ALA 104 -5.530 -15.229 -6.678 779 1HB ALA 104 1HB ALA 104 -7.644 -13.172 -7.552 780 2HB ALA 104 3HB ALA 104 -8.013 -14.747 -6.867 781 3HB ALA 104 2HB ALA 104 -7.173 -13.544 -5.903 782 H GLY 105 HN GLY 105 -7.088 -13.799 -9.449 783 1HA GLY 105 2HA GLY 105 -6.183 -15.877 -11.353 784 2HA GLY 105 1HA GLY 105 -7.917 -15.689 -11.101 No H/Q in entry = 784 Start of MODEL 5 1 1H GLU 1 1H GLU 1 -0.425 -6.284 -16.637 2 2H GLU 1 3H GLU 1 -1.706 -7.402 -16.648 3 3H GLU 1 2H GLU 1 -0.920 -7.022 -18.055 4 HA GLU 1 HA GLU 1 -2.246 -5.316 -18.490 5 1HB GLU 1 2HB GLU 1 -3.822 -6.580 -16.224 6 2HB GLU 1 1HB GLU 1 -4.488 -5.477 -17.394 7 1HG GLU 1 2HG GLU 1 -4.938 -7.861 -18.136 8 2HG GLU 1 1HG GLU 1 -3.891 -7.082 -19.289 9 H THR 2 H THR 2 -0.622 -3.515 -17.551 10 HA THR 2 HA THR 2 -0.770 -2.275 -15.179 11 HB THR 2 HB THR 2 -0.723 -0.562 -17.768 12 HG1 THR 2 HG1 THR 2 1.561 -1.617 -17.686 13 1HG2 THR 2 1HG2 THR 2 0.221 0.146 -15.422 14 2HG2 THR 2 3HG2 THR 2 1.413 -1.109 -15.609 15 3HG2 THR 2 2HG2 THR 2 1.362 0.249 -16.740 16 H TYR 3 H TYR 3 -2.559 -2.388 -14.168 17 HA TYR 3 HA TYR 3 -4.800 -0.636 -14.995 18 1HB TYR 3 2HB TYR 3 -4.358 -2.230 -12.415 19 2HB TYR 3 1HB TYR 3 -5.873 -1.473 -12.852 20 HD1 TYR 3 HD1 TYR 3 -6.715 -2.183 -15.319 21 HD2 TYR 3 HD2 TYR 3 -4.168 -4.505 -12.853 22 HE1 TYR 3 HE1 TYR 3 -7.391 -4.215 -16.539 23 HE2 TYR 3 HE2 TYR 3 -4.842 -6.494 -14.057 24 HH TYR 3 HH TYR 3 -6.826 -6.320 -16.923 25 H THR 4 H THR 4 -5.192 1.369 -14.302 26 HA THR 4 HA THR 4 -3.255 3.039 -13.047 27 HB THR 4 HB THR 4 -6.172 3.751 -13.479 28 HG1 THR 4 HG1 THR 4 -3.921 3.954 -15.215 29 1HG2 THR 4 3HG2 THR 4 -3.537 5.295 -13.782 30 2HG2 THR 4 2HG2 THR 4 -5.152 5.925 -14.027 31 3HG2 THR 4 1HG2 THR 4 -4.608 5.494 -12.409 32 H VAL 5 H VAL 5 -2.733 2.591 -10.858 33 HA VAL 5 HA VAL 5 -4.985 3.008 -8.899 34 HB VAL 5 HB VAL 5 -3.788 0.830 -8.690 35 1HG1 VAL 5 1HG1 VAL 5 -1.335 2.510 -8.042 36 2HG1 VAL 5 3HG1 VAL 5 -1.464 0.773 -7.815 37 3HG1 VAL 5 2HG1 VAL 5 -1.554 1.448 -9.422 38 1HG2 VAL 5 3HG2 VAL 5 -3.237 2.744 -6.366 39 2HG2 VAL 5 2HG2 VAL 5 -4.720 1.851 -6.630 40 3HG2 VAL 5 1HG2 VAL 5 -3.241 0.996 -6.251 41 H LYS 6 H LYS 6 -4.742 4.620 -7.402 42 HA LYS 6 HA LYS 6 -2.351 6.459 -7.664 43 1HB LYS 6 2HB LYS 6 -4.570 6.980 -8.874 44 2HB LYS 6 1HB LYS 6 -5.213 7.341 -7.293 45 1HG LYS 6 2HG LYS 6 -3.536 9.090 -6.950 46 2HG LYS 6 1HG LYS 6 -2.752 8.703 -8.463 47 1HD LYS 6 2HD LYS 6 -4.236 10.557 -9.049 48 2HD LYS 6 1HD LYS 6 -5.026 9.127 -9.642 49 1HE LYS 6 2HE LYS 6 -6.641 10.600 -8.480 50 2HE LYS 6 1HE LYS 6 -6.481 9.051 -7.668 51 1HZ LYS 6 3HZ LYS 6 -4.446 10.686 -6.678 52 2HZ LYS 6 2HZ LYS 6 -5.853 11.619 -6.614 53 3HZ LYS 6 1HZ LYS 6 -5.833 10.110 -5.893 54 H LEU 7 H LEU 7 -1.909 7.957 -5.907 55 HA LEU 7 HA LEU 7 -2.594 6.861 -3.231 56 1HB LEU 7 2HB LEU 7 -0.347 7.397 -2.668 57 2HB LEU 7 1HB LEU 7 -0.379 6.464 -4.151 58 HG LEU 7 HG LEU 7 0.715 9.039 -3.565 59 1HD1 LEU 7 1HD1 LEU 7 1.895 7.153 -4.686 60 2HD1 LEU 7 3HD1 LEU 7 0.792 7.275 -6.042 61 3HD1 LEU 7 2HD1 LEU 7 1.945 8.557 -5.741 62 1HD2 LEU 7 1HD2 LEU 7 -1.143 10.184 -4.659 63 2HD2 LEU 7 3HD2 LEU 7 0.371 10.299 -5.473 64 3HD2 LEU 7 2HD2 LEU 7 -0.870 9.254 -6.116 65 H GLY 8 H GLY 8 -4.392 8.721 -3.839 66 1HA GLY 8 2HA GLY 8 -4.928 10.403 -1.872 67 2HA GLY 8 1HA GLY 8 -3.507 11.234 -2.433 68 H SER 9 H SER 9 -6.789 10.623 -3.007 69 HA SER 9 HA SER 9 -8.034 11.393 -5.073 70 1HB SER 9 2HB SER 9 -9.331 13.236 -3.895 71 2HB SER 9 1HB SER 9 -9.127 11.744 -2.969 72 HG SER 9 HG SER 9 -8.201 14.223 -2.439 73 H ASP 10 H ASP 10 -7.277 14.421 -3.821 74 HA ASP 10 HA ASP 10 -6.427 15.512 -6.477 75 1HB ASP 10 2HB ASP 10 -7.925 17.464 -5.837 76 2HB ASP 10 1HB ASP 10 -8.828 15.981 -5.668 77 H LYS 11 H LYS 11 -6.518 17.523 -3.830 78 HA LYS 11 HA LYS 11 -3.592 17.728 -3.488 79 1HB LYS 11 2HB LYS 11 -3.947 20.044 -3.150 80 2HB LYS 11 1HB LYS 11 -5.152 19.666 -4.348 81 1HG LYS 11 2HG LYS 11 -6.679 19.240 -2.097 82 2HG LYS 11 1HG LYS 11 -5.488 20.306 -1.395 83 1HD LYS 11 2HD LYS 11 -7.080 21.865 -2.149 84 2HD LYS 11 1HD LYS 11 -6.004 21.824 -3.542 85 1HE LYS 11 2HE LYS 11 -7.471 19.952 -4.494 86 2HE LYS 11 1HE LYS 11 -8.552 20.241 -3.129 87 1HZ LYS 11 3HZ LYS 11 -8.013 22.741 -4.278 88 2HZ LYS 11 2HZ LYS 11 -8.424 21.679 -5.544 89 3HZ LYS 11 1HZ LYS 11 -9.483 21.885 -4.246 90 H GLY 12 H GLY 12 -6.689 17.144 -1.958 91 1HA GLY 12 2HA GLY 12 -5.677 17.281 0.798 92 2HA GLY 12 1HA GLY 12 -7.268 16.799 0.320 93 H LEU 13 H LEU 13 -7.691 14.516 0.047 94 HA LEU 13 HA LEU 13 -6.571 12.895 1.994 95 1HB LEU 13 2HB LEU 13 -7.798 11.989 -0.638 96 2HB LEU 13 1HB LEU 13 -7.603 10.970 0.759 97 HG LEU 13 HG LEU 13 -9.280 13.522 0.771 98 1HD1 LEU 13 3HD1 LEU 13 -10.056 10.571 0.654 99 2HD1 LEU 13 2HD1 LEU 13 -11.163 11.923 0.776 100 3HD1 LEU 13 1HD1 LEU 13 -10.202 11.713 -0.673 101 1HD2 LEU 13 2HD2 LEU 13 -9.022 11.197 2.756 102 2HD2 LEU 13 1HD2 LEU 13 -8.376 12.807 3.033 103 3HD2 LEU 13 3HD2 LEU 13 -10.100 12.567 2.912 104 H LEU 14 H LEU 14 -5.273 11.334 2.291 105 HA LEU 14 HA LEU 14 -2.969 10.764 0.407 106 1HB LEU 14 2HB LEU 14 -3.033 10.844 3.394 107 2HB LEU 14 1HB LEU 14 -1.670 10.425 2.390 108 HG LEU 14 HG LEU 14 -3.106 13.137 2.269 109 1HD1 LEU 14 3HD1 LEU 14 -0.427 12.295 3.466 110 2HD1 LEU 14 2HD1 LEU 14 -1.042 13.938 3.406 111 3HD1 LEU 14 1HD1 LEU 14 -1.849 12.734 4.390 112 1HD2 LEU 14 3HD2 LEU 14 -0.458 12.146 1.079 113 2HD2 LEU 14 2HD2 LEU 14 -1.883 12.445 0.112 114 3HD2 LEU 14 1HD2 LEU 14 -1.074 13.774 0.935 115 H VAL 15 H VAL 15 -5.127 9.222 -0.078 116 HA VAL 15 HA VAL 15 -4.841 6.643 1.440 117 HB VAL 15 HB VAL 15 -7.147 6.132 0.749 118 1HG1 VAL 15 3HG1 VAL 15 -6.704 7.312 2.901 119 2HG1 VAL 15 2HG1 VAL 15 -6.812 8.858 2.085 120 3HG1 VAL 15 1HG1 VAL 15 -8.225 7.826 2.198 121 1HG2 VAL 15 1HG2 VAL 15 -7.222 7.499 -1.356 122 2HG2 VAL 15 3HG2 VAL 15 -8.529 7.920 -0.275 123 3HG2 VAL 15 2HG2 VAL 15 -7.131 8.964 -0.407 124 H PHE 16 H PHE 16 -5.755 4.773 -0.044 125 HA PHE 16 HA PHE 16 -4.210 4.786 -2.621 126 1HB PHE 16 2HB PHE 16 -4.814 2.641 -0.575 127 2HB PHE 16 1HB PHE 16 -4.693 2.137 -2.245 128 HD1 PHE 16 HD1 PHE 16 -2.780 3.945 0.430 129 HD2 PHE 16 HD2 PHE 16 -2.608 1.838 -3.258 130 HE1 PHE 16 HE1 PHE 16 -0.299 3.854 0.553 131 HE2 PHE 16 HE2 PHE 16 -0.147 1.773 -3.108 132 HZ PHE 16 HZ PHE 16 0.985 2.793 -1.196 133 H GLU 17 H GLU 17 -5.273 4.922 -4.307 134 HA GLU 17 HA GLU 17 -8.182 4.398 -4.595 135 1HB GLU 17 2HB GLU 17 -6.191 6.005 -6.152 136 2HB GLU 17 1HB GLU 17 -7.887 5.905 -6.571 137 1HG GLU 17 2HG GLU 17 -8.555 7.186 -4.626 138 2HG GLU 17 1HG GLU 17 -7.075 6.824 -3.757 139 HA PRO 18 HA PRO 18 -8.753 2.588 -4.165 140 1HB PRO 18 2HB PRO 18 -10.087 0.414 -4.724 141 2HB PRO 18 1HB PRO 18 -10.212 1.808 -5.824 142 1HG PRO 18 2HG PRO 18 -8.519 -0.721 -6.147 143 2HG PRO 18 1HG PRO 18 -9.465 0.118 -7.379 144 1HD PRO 18 2HD PRO 18 -6.654 0.511 -6.796 145 2HD PRO 18 1HD PRO 18 -7.643 1.503 -7.900 146 H ALA 19 H ALA 19 -8.513 1.843 -2.249 147 HA ALA 19 HA ALA 19 -6.580 0.974 -0.795 148 1HB ALA 19 3HB ALA 19 -9.331 -0.349 -0.704 149 2HB ALA 19 2HB ALA 19 -8.194 -0.332 0.636 150 3HB ALA 19 1HB ALA 19 -8.880 1.171 0.050 151 H LYS 20 H LYS 20 -8.330 -1.735 -2.170 152 HA LYS 20 HA LYS 20 -5.824 -3.408 -1.958 153 1HB LYS 20 2HB LYS 20 -7.176 -5.315 -1.722 154 2HB LYS 20 1HB LYS 20 -7.419 -4.150 -0.432 155 1HG LYS 20 2HG LYS 20 -9.563 -3.418 -1.463 156 2HG LYS 20 1HG LYS 20 -9.346 -4.513 -2.803 157 1HD LYS 20 2HD LYS 20 -9.665 -5.356 0.134 158 2HD LYS 20 1HD LYS 20 -10.916 -5.445 -1.077 159 1HE LYS 20 2HE LYS 20 -10.096 -7.676 -0.928 160 2HE LYS 20 1HE LYS 20 -9.344 -7.033 -2.387 161 1HZ LYS 20 2HZ LYS 20 -7.700 -6.303 -0.225 162 2HZ LYS 20 1HZ LYS 20 -7.967 -7.907 0.001 163 3HZ LYS 20 3HZ LYS 20 -7.328 -7.343 -1.444 164 H LEU 21 H LEU 21 -5.271 -2.641 -4.173 165 HA LEU 21 HA LEU 21 -6.698 -3.192 -6.553 166 1HB LEU 21 2HB LEU 21 -4.555 -1.857 -6.328 167 2HB LEU 21 1HB LEU 21 -3.712 -3.334 -5.977 168 HG LEU 21 HG LEU 21 -3.781 -2.201 -8.511 169 1HD1 LEU 21 3HD1 LEU 21 -2.344 -4.084 -7.669 170 2HD1 LEU 21 2HD1 LEU 21 -3.689 -5.176 -7.871 171 3HD1 LEU 21 1HD1 LEU 21 -2.966 -4.420 -9.259 172 1HD2 LEU 21 3HD2 LEU 21 -6.266 -2.848 -8.844 173 2HD2 LEU 21 2HD2 LEU 21 -5.177 -3.607 -9.977 174 3HD2 LEU 21 1HD2 LEU 21 -5.804 -4.527 -8.649 175 H THR 22 H THR 22 -7.722 -5.022 -6.870 176 HA THR 22 HA THR 22 -6.380 -7.627 -6.347 177 HB THR 22 HB THR 22 -9.284 -7.096 -7.182 178 HG1 THR 22 HG1 THR 22 -8.234 -6.375 -5.027 179 1HG2 THR 22 3HG2 THR 22 -7.907 -9.466 -5.787 180 2HG2 THR 22 2HG2 THR 22 -9.594 -9.351 -6.243 181 3HG2 THR 22 1HG2 THR 22 -8.359 -9.510 -7.482 182 H ILE 23 H ILE 23 -4.966 -7.863 -7.807 183 HA ILE 23 HA ILE 23 -5.634 -7.994 -10.666 184 HB ILE 23 HB ILE 23 -2.980 -7.895 -10.829 185 1HG1 ILE 23 2HG1 ILE 23 -2.051 -6.451 -9.106 186 2HG1 ILE 23 1HG1 ILE 23 -3.295 -7.091 -8.033 187 1HG2 ILE 23 1HG2 ILE 23 -4.526 -6.264 -11.694 188 2HG2 ILE 23 3HG2 ILE 23 -4.687 -5.558 -10.108 189 3HG2 ILE 23 2HG2 ILE 23 -3.140 -5.492 -10.965 190 1HD1 ILE 23 2HD1 ILE 23 -1.335 -8.761 -9.656 191 2HD1 ILE 23 1HD1 ILE 23 -1.237 -8.459 -7.933 192 3HD1 ILE 23 3HD1 ILE 23 -2.563 -9.410 -8.585 193 H LYS 24 H LYS 24 -3.575 -9.368 -11.705 194 HA LYS 24 HA LYS 24 -4.142 -11.993 -10.571 195 1HB LYS 24 2HB LYS 24 -3.266 -11.244 -13.425 196 2HB LYS 24 1HB LYS 24 -3.584 -12.889 -12.952 197 1HG LYS 24 2HG LYS 24 -5.664 -12.465 -13.759 198 2HG LYS 24 1HG LYS 24 -5.927 -11.890 -12.146 199 1HD LYS 24 2HD LYS 24 -6.761 -10.158 -13.539 200 2HD LYS 24 1HD LYS 24 -5.249 -9.549 -12.947 201 1HE LYS 24 2HE LYS 24 -4.382 -10.766 -15.266 202 2HE LYS 24 1HE LYS 24 -6.040 -10.420 -15.729 203 1HZ LYS 24 1HZ LYS 24 -4.857 -8.255 -14.292 204 2HZ LYS 24 3HZ LYS 24 -3.901 -8.645 -15.569 205 3HZ LYS 24 2HZ LYS 24 -5.485 -8.128 -15.833 206 HA PRO 25 HA PRO 25 -0.080 -13.545 -9.535 207 1HB PRO 25 2HB PRO 25 0.053 -15.822 -11.180 208 2HB PRO 25 1HB PRO 25 -0.715 -15.737 -9.599 209 1HG PRO 25 2HG PRO 25 -2.043 -15.258 -12.349 210 2HG PRO 25 1HG PRO 25 -2.600 -16.339 -11.072 211 1HD PRO 25 2HD PRO 25 -3.739 -14.006 -11.197 212 2HD PRO 25 1HD PRO 25 -3.110 -14.465 -9.609 213 H GLY 26 H GLY 26 0.780 -11.522 -10.623 214 1HA GLY 26 2HA GLY 26 3.179 -11.384 -11.656 215 2HA GLY 26 1HA GLY 26 2.537 -12.274 -13.002 216 H ASP 27 H ASP 27 0.071 -10.739 -12.568 217 HA ASP 27 HA ASP 27 -0.117 -9.114 -14.699 218 1HB ASP 27 2HB ASP 27 -1.766 -9.917 -12.922 219 2HB ASP 27 1HB ASP 27 -1.335 -8.496 -12.003 220 H THR 28 H THR 28 -0.544 -6.780 -14.805 221 HA THR 28 HA THR 28 1.759 -5.267 -13.748 222 HB THR 28 HB THR 28 0.502 -4.140 -16.185 223 HG1 THR 28 HG1 THR 28 2.161 -6.393 -15.942 224 1HG2 THR 28 2HG2 THR 28 3.334 -4.763 -15.429 225 2HG2 THR 28 1HG2 THR 28 2.775 -3.827 -16.793 226 3HG2 THR 28 3HG2 THR 28 2.586 -3.205 -15.158 227 H VAL 29 H VAL 29 1.570 -3.391 -12.885 228 HA VAL 29 HA VAL 29 -1.068 -2.091 -12.565 229 HB VAL 29 HB VAL 29 1.046 -2.188 -10.526 230 1HG1 VAL 29 2HG1 VAL 29 -1.859 -1.177 -10.561 231 2HG1 VAL 29 1HG1 VAL 29 -0.877 -1.309 -9.121 232 3HG1 VAL 29 3HG1 VAL 29 -0.442 -0.166 -10.370 233 1HG2 VAL 29 1HG2 VAL 29 -1.632 -3.627 -10.853 234 2HG2 VAL 29 3HG2 VAL 29 -0.065 -4.401 -10.947 235 3HG2 VAL 29 2HG2 VAL 29 -0.609 -3.709 -9.429 236 H GLU 30 H GLU 30 -1.101 0.255 -12.539 237 HA GLU 30 HA GLU 30 1.302 1.718 -13.404 238 1HB GLU 30 2HB GLU 30 -0.486 1.878 -15.088 239 2HB GLU 30 1HB GLU 30 -1.631 2.283 -13.852 240 1HG GLU 30 2HG GLU 30 -0.421 4.421 -13.417 241 2HG GLU 30 1HG GLU 30 0.890 3.936 -14.484 242 H PHE 31 H PHE 31 2.036 3.053 -11.794 243 HA PHE 31 HA PHE 31 0.315 3.715 -9.424 244 1HB PHE 31 2HB PHE 31 3.352 3.954 -9.703 245 2HB PHE 31 1HB PHE 31 2.452 4.071 -8.216 246 HD1 PHE 31 HD2 PHE 31 0.667 1.501 -9.022 247 HD2 PHE 31 HD1 PHE 31 4.821 2.321 -8.761 248 HE1 PHE 31 HE2 PHE 31 1.115 -0.874 -8.570 249 HE2 PHE 31 HE1 PHE 31 5.266 -0.061 -8.321 250 HZ PHE 31 HZ PHE 31 3.414 -1.656 -8.221 251 H LEU 32 H LEU 32 -0.652 5.656 -9.682 252 HA LEU 32 HA LEU 32 0.796 7.817 -11.062 253 1HB LEU 32 2HB LEU 32 -1.522 6.916 -11.733 254 2HB LEU 32 1HB LEU 32 -2.147 7.739 -10.327 255 HG LEU 32 HG LEU 32 -0.502 9.201 -12.468 256 1HD1 LEU 32 3HD1 LEU 32 -3.533 8.868 -12.255 257 2HD1 LEU 32 2HD1 LEU 32 -2.692 9.882 -13.417 258 3HD1 LEU 32 1HD1 LEU 32 -2.517 8.140 -13.485 259 1HD2 LEU 32 3HD2 LEU 32 -2.572 10.174 -10.442 260 2HD2 LEU 32 2HD2 LEU 32 -0.846 10.413 -10.274 261 3HD2 LEU 32 1HD2 LEU 32 -1.699 11.173 -11.588 262 H ASN 33 H ASN 33 1.473 9.522 -10.121 263 HA ASN 33 HA ASN 33 1.154 9.968 -7.208 264 1HB ASN 33 2HB ASN 33 3.360 9.501 -8.232 265 2HB ASN 33 1HB ASN 33 3.233 10.962 -9.178 266 1HD2 ASN 33 2HD2 ASN 33 4.308 12.962 -6.539 267 2HD2 ASN 33 1HD2 ASN 33 3.554 13.004 -8.063 268 H ASN 34 H ASN 34 0.169 11.748 -6.343 269 HA ASN 34 HA ASN 34 -0.562 14.021 -8.202 270 1HB ASN 34 2HB ASN 34 -1.998 13.039 -5.674 271 2HB ASN 34 1HB ASN 34 -2.433 14.524 -6.495 272 1HD2 ASN 34 2HD2 ASN 34 -4.213 12.847 -8.940 273 2HD2 ASN 34 1HD2 ASN 34 -3.586 14.349 -8.457 274 H LYS 35 H LYS 35 -0.615 14.112 -4.732 275 HA LYS 35 HA LYS 35 1.291 16.419 -4.731 276 1HB LYS 35 2HB LYS 35 -0.204 17.709 -3.395 277 2HB LYS 35 1HB LYS 35 -1.223 16.969 -4.598 278 1HG LYS 35 2HG LYS 35 -0.842 15.912 -1.763 279 2HG LYS 35 1HG LYS 35 -2.192 16.855 -2.301 280 1HD LYS 35 2HD LYS 35 -2.382 14.837 -4.131 281 2HD LYS 35 1HD LYS 35 -1.492 13.942 -2.909 282 1HE LYS 35 2HE LYS 35 -4.224 15.254 -2.647 283 2HE LYS 35 1HE LYS 35 -3.841 13.555 -2.558 284 1HZ LYS 35 1HZ LYS 35 -2.174 14.811 -0.691 285 2HZ LYS 35 3HZ LYS 35 -3.684 15.494 -0.471 286 3HZ LYS 35 2HZ LYS 35 -3.529 13.842 -0.353 287 H VAL 36 H VAL 36 1.718 17.022 -2.279 288 HA VAL 36 HA VAL 36 3.156 16.392 -0.458 289 HB VAL 36 HB VAL 36 0.884 14.336 -0.262 290 1HG1 VAL 36 2HG1 VAL 36 2.720 15.441 1.928 291 2HG1 VAL 36 1HG1 VAL 36 1.363 14.365 2.189 292 3HG1 VAL 36 3HG1 VAL 36 2.771 13.799 1.328 293 1HG2 VAL 36 3HG2 VAL 36 0.145 16.818 -0.271 294 2HG2 VAL 36 2HG2 VAL 36 -0.133 16.059 1.287 295 3HG2 VAL 36 1HG2 VAL 36 1.251 17.095 1.046 296 HA PRO 37 HA PRO 37 4.989 12.770 -2.669 297 1HB PRO 37 2HB PRO 37 6.015 14.033 -4.941 298 2HB PRO 37 1HB PRO 37 4.319 13.589 -4.735 299 1HG PRO 37 2HG PRO 37 5.469 16.309 -4.814 300 2HG PRO 37 1HG PRO 37 3.773 15.862 -4.726 301 1HD PRO 37 2HD PRO 37 5.687 16.450 -2.443 302 2HD PRO 37 1HD PRO 37 3.960 16.813 -2.545 303 HA PRO 38 HA PRO 38 6.704 12.214 -4.481 304 1HB PRO 38 2HB PRO 38 8.926 10.938 -5.032 305 2HB PRO 38 1HB PRO 38 8.927 12.702 -5.113 306 1HG PRO 38 2HG PRO 38 9.877 10.938 -2.774 307 2HG PRO 38 1HG PRO 38 10.747 12.281 -3.520 308 1HD PRO 38 2HD PRO 38 9.094 12.518 -1.222 309 2HD PRO 38 1HD PRO 38 9.529 13.884 -2.262 310 H HIS 39 HN HIP 39 5.587 10.309 -4.661 311 HA HIS 39 HA HIP 39 5.717 8.536 -2.289 312 1HB HIS 39 2HB HIP 39 3.787 8.635 -4.632 313 2HB HIS 39 1HB HIP 39 3.572 7.593 -3.243 314 HD2 HIS 39 HD2 HIP 39 2.610 11.012 -4.493 315 HE1 HIS 39 HE1 HIP 39 1.974 11.198 -0.400 316 HE2 HIS 39 HE2 HIP 39 1.637 12.262 -2.554 317 H ASN 40 H ASN 40 7.801 7.647 -2.872 318 HA ASN 40 HA ASN 40 7.837 5.676 -5.113 319 1HB ASN 40 2HB ASN 40 9.921 7.045 -4.650 320 2HB ASN 40 1HB ASN 40 9.985 6.357 -3.036 321 1HD2 ASN 40 2HD2 ASN 40 12.038 3.939 -4.539 322 2HD2 ASN 40 1HD2 ASN 40 12.007 5.233 -3.434 323 H VAL 41 H VAL 41 6.754 3.858 -4.621 324 HA VAL 41 HA VAL 41 7.111 2.842 -1.835 325 HB VAL 41 HB VAL 41 5.085 1.920 -1.772 326 1HG1 VAL 41 3HG1 VAL 41 4.983 4.452 -1.884 327 2HG1 VAL 41 2HG1 VAL 41 4.713 4.381 -3.598 328 3HG1 VAL 41 1HG1 VAL 41 3.486 3.765 -2.509 329 1HG2 VAL 41 3HG2 VAL 41 4.869 2.304 -4.842 330 2HG2 VAL 41 2HG2 VAL 41 4.979 0.754 -4.041 331 3HG2 VAL 41 1HG2 VAL 41 3.534 1.732 -3.872 332 H VAL 42 H VAL 42 7.722 1.044 -1.347 333 HA VAL 42 HA VAL 42 8.553 -0.970 -3.424 334 HB VAL 42 HB VAL 42 10.216 -1.705 -1.650 335 1HG1 VAL 42 2HG1 VAL 42 10.807 -0.022 -3.443 336 2HG1 VAL 42 1HG1 VAL 42 10.252 1.267 -2.410 337 3HG1 VAL 42 3HG1 VAL 42 11.670 0.348 -1.957 338 1HG2 VAL 42 3HG2 VAL 42 8.953 -0.754 0.349 339 2HG2 VAL 42 2HG2 VAL 42 10.602 -0.149 0.270 340 3HG2 VAL 42 1HG2 VAL 42 9.282 0.861 -0.257 341 H PHE 43 H PHE 43 8.145 -3.411 -2.275 342 HA PHE 43 HA PHE 43 5.435 -3.178 -0.984 343 1HB PHE 43 2HB PHE 43 7.023 -5.378 -2.328 344 2HB PHE 43 1HB PHE 43 5.973 -5.883 -1.030 345 HD1 PHE 43 HD2 PHE 43 4.078 -3.288 -2.395 346 HD2 PHE 43 HD1 PHE 43 5.538 -7.166 -3.347 347 HE1 PHE 43 HE2 PHE 43 2.232 -3.594 -3.970 348 HE2 PHE 43 HE1 PHE 43 3.694 -7.467 -4.927 349 HZ PHE 43 HZ PHE 43 2.048 -5.694 -5.244 350 H ASP 44 H ASP 44 5.098 -3.876 1.132 351 HA ASP 44 HA ASP 44 7.611 -3.761 2.721 352 1HB ASP 44 2HB ASP 44 5.732 -2.568 3.687 353 2HB ASP 44 1HB ASP 44 4.757 -4.039 3.740 354 H ALA 45 H ALA 45 7.485 -5.595 4.794 355 HA ALA 45 HA ALA 45 7.478 -8.294 3.668 356 1HB ALA 45 2HB ALA 45 9.038 -7.075 6.004 357 2HB ALA 45 1HB ALA 45 9.144 -8.743 5.475 358 3HB ALA 45 3HB ALA 45 9.701 -7.471 4.414 359 H ALA 46 H ALA 46 6.770 -6.463 6.683 360 HA ALA 46 HA ALA 46 5.458 -8.518 8.128 361 1HB ALA 46 3HB ALA 46 4.812 -5.498 7.964 362 2HB ALA 46 2HB ALA 46 4.338 -6.532 9.303 363 3HB ALA 46 1HB ALA 46 6.031 -6.185 9.013 364 H LEU 47 H LEU 47 4.357 -6.317 5.722 365 HA LEU 47 HA LEU 47 1.717 -7.672 5.477 366 1HB LEU 47 2HB LEU 47 2.925 -5.189 4.282 367 2HB LEU 47 1HB LEU 47 1.380 -5.822 3.740 368 HG LEU 47 HG LEU 47 1.034 -3.997 5.325 369 1HD1 LEU 47 1HD1 LEU 47 -0.595 -5.854 5.285 370 2HD1 LEU 47 3HD1 LEU 47 0.292 -6.684 6.557 371 3HD1 LEU 47 2HD1 LEU 47 -0.467 -5.144 6.886 372 1HD2 LEU 47 2HD2 LEU 47 3.113 -4.267 6.659 373 2HD2 LEU 47 1HD2 LEU 47 1.686 -4.203 7.676 374 3HD2 LEU 47 3HD2 LEU 47 2.466 -5.734 7.369 375 H ASN 48 H ASN 48 3.895 -9.284 4.626 376 HA ASN 48 HA ASN 48 3.370 -9.656 1.685 377 1HB ASN 48 2HB ASN 48 5.845 -9.783 3.285 378 2HB ASN 48 1HB ASN 48 5.562 -11.359 2.595 379 1HD2 ASN 48 2HD2 ASN 48 7.338 -9.038 0.282 380 2HD2 ASN 48 1HD2 ASN 48 7.629 -9.387 1.931 381 HA PRO 49 HA PRO 49 1.692 -13.681 3.036 382 1HB PRO 49 2HB PRO 49 2.597 -15.570 1.285 383 2HB PRO 49 1HB PRO 49 1.489 -14.317 0.770 384 1HG PRO 49 2HG PRO 49 4.499 -14.433 0.360 385 2HG PRO 49 1HG PRO 49 3.248 -13.901 -0.747 386 1HD PRO 49 2HD PRO 49 4.774 -12.151 0.781 387 2HD PRO 49 1HD PRO 49 3.213 -11.718 0.107 388 H ALA 50 H ALA 50 5.160 -14.408 2.314 389 HA ALA 50 HA ALA 50 5.341 -15.905 4.889 390 1HB ALA 50 2HB ALA 50 6.121 -16.977 2.758 391 2HB ALA 50 1HB ALA 50 7.230 -15.641 2.510 392 3HB ALA 50 3HB ALA 50 7.477 -16.726 3.858 393 H LYS 51 H LYS 51 5.061 -13.268 5.037 394 HA LYS 51 HA LYS 51 5.997 -11.156 5.665 395 1HB LYS 51 2HB LYS 51 6.944 -13.010 7.881 396 2HB LYS 51 1HB LYS 51 6.413 -11.361 8.085 397 1HG LYS 51 2HG LYS 51 4.642 -13.703 7.176 398 2HG LYS 51 1HG LYS 51 4.662 -13.027 8.787 399 1HD LYS 51 2HD LYS 51 3.633 -11.014 8.161 400 2HD LYS 51 1HD LYS 51 4.162 -11.094 6.500 401 1HE LYS 51 2HE LYS 51 2.593 -12.983 6.089 402 2HE LYS 51 1HE LYS 51 2.010 -12.826 7.748 403 1HZ LYS 51 2HZ LYS 51 2.148 -10.253 6.685 404 2HZ LYS 51 1HZ LYS 51 1.475 -11.191 5.469 405 3HZ LYS 51 3HZ LYS 51 0.709 -11.077 6.991 406 H SER 52 H SER 52 7.886 -12.309 3.971 407 HA SER 52 HA SER 52 10.530 -11.375 4.998 408 1HB SER 52 2HB SER 52 9.689 -13.513 3.067 409 2HB SER 52 1HB SER 52 11.382 -13.062 3.177 410 HG SER 52 HG SER 52 9.680 -14.060 5.133 411 H ALA 53 H ALA 53 11.605 -11.619 2.448 412 HA ALA 53 HA ALA 53 10.770 -9.210 0.836 413 1HB ALA 53 3HB ALA 53 13.117 -9.180 2.027 414 2HB ALA 53 2HB ALA 53 13.491 -10.648 1.142 415 3HB ALA 53 1HB ALA 53 13.229 -9.154 0.271 416 H ASP 54 H ASP 54 9.419 -11.498 1.005 417 HA ASP 54 HA ASP 54 9.604 -13.784 -0.160 418 1HB ASP 54 2HB ASP 54 7.498 -11.582 -0.607 419 2HB ASP 54 1HB ASP 54 7.180 -13.263 -1.010 420 H LEU 55 H LEU 55 8.464 -11.528 -2.333 421 HA LEU 55 HA LEU 55 9.904 -12.720 -4.682 422 1HB LEU 55 2HB LEU 55 8.192 -11.044 -5.840 423 2HB LEU 55 1HB LEU 55 7.551 -12.520 -5.180 424 HG LEU 55 HG LEU 55 6.651 -11.391 -3.201 425 1HD1 LEU 55 3HD1 LEU 55 8.027 -8.831 -4.178 426 2HD1 LEU 55 2HD1 LEU 55 6.976 -8.956 -2.778 427 3HD1 LEU 55 1HD1 LEU 55 8.538 -9.718 -2.770 428 1HD2 LEU 55 2HD2 LEU 55 5.399 -11.113 -5.300 429 2HD2 LEU 55 1HD2 LEU 55 5.192 -9.705 -4.263 430 3HD2 LEU 55 3HD2 LEU 55 6.273 -9.630 -5.646 431 H ALA 56 H ALA 56 11.340 -11.572 -2.820 432 HA ALA 56 HA ALA 56 12.835 -9.845 -2.196 433 1HB ALA 56 3HB ALA 56 13.729 -10.770 -4.268 434 2HB ALA 56 2HB ALA 56 12.754 -9.637 -5.209 435 3HB ALA 56 1HB ALA 56 14.056 -9.038 -4.180 436 H LYS 57 H LYS 57 10.429 -8.978 -1.655 437 HA LYS 57 HA LYS 57 8.876 -6.886 -2.465 438 1HB LYS 57 2HB LYS 57 8.961 -5.959 -0.128 439 2HB LYS 57 1HB LYS 57 9.391 -7.612 0.098 440 1HG LYS 57 2HG LYS 57 11.816 -7.047 0.242 441 2HG LYS 57 1HG LYS 57 11.478 -5.362 -0.065 442 1HD LYS 57 2HD LYS 57 10.468 -6.941 2.398 443 2HD LYS 57 1HD LYS 57 11.825 -5.826 2.436 444 1HE LYS 57 2HE LYS 57 10.113 -4.003 1.639 445 2HE LYS 57 1HE LYS 57 8.945 -5.282 1.946 446 1HZ LYS 57 2HZ LYS 57 10.377 -5.163 4.315 447 2HZ LYS 57 1HZ LYS 57 10.114 -3.542 3.895 448 3HZ LYS 57 3HZ LYS 57 8.842 -4.528 4.075 449 H SER 58 H SER 58 12.215 -5.868 -2.553 450 HA SER 58 HA SER 58 11.599 -3.074 -2.998 451 1HB SER 58 2HB SER 58 14.004 -3.735 -3.481 452 2HB SER 58 1HB SER 58 13.451 -4.855 -4.739 453 HG SER 58 HG SER 58 13.726 -2.122 -4.864 454 H LEU 59 H LEU 59 11.260 -5.975 -4.731 455 HA LEU 59 HA LEU 59 10.371 -6.152 -7.121 456 1HB LEU 59 2HB LEU 59 9.798 -7.590 -5.089 457 2HB LEU 59 1HB LEU 59 8.259 -6.778 -5.094 458 HG LEU 59 HG LEU 59 8.103 -8.908 -6.358 459 1HD1 LEU 59 1HD1 LEU 59 6.748 -6.911 -7.159 460 2HD1 LEU 59 3HD1 LEU 59 8.028 -6.540 -8.293 461 3HD1 LEU 59 2HD1 LEU 59 7.150 -8.024 -8.454 462 1HD2 LEU 59 3HD2 LEU 59 10.478 -8.996 -7.111 463 2HD2 LEU 59 2HD2 LEU 59 9.356 -9.261 -8.413 464 3HD2 LEU 59 1HD2 LEU 59 10.163 -7.725 -8.276 465 H SER 60 H SER 60 8.297 -4.730 -4.758 466 HA SER 60 HA SER 60 6.337 -3.480 -6.633 467 1HB SER 60 2HB SER 60 6.291 -3.581 -4.002 468 2HB SER 60 1HB SER 60 7.154 -2.050 -4.154 469 HG SER 60 HG SER 60 4.542 -2.595 -4.776 470 H HIS 61 H HIS 61 6.582 -0.635 -5.855 471 HA HIS 61 HA HIS 61 8.125 0.056 -8.265 472 1HB HIS 61 2HB HIS 61 6.187 1.530 -7.207 473 2HB HIS 61 1HB HIS 61 7.462 2.202 -6.195 474 HD1 HIS 61 HD1 HIS 61 7.347 1.281 -9.845 475 HD2 HIS 61 HD2 HIS 61 8.571 4.358 -7.428 476 HE1 HIS 61 HE1 HIS 61 8.430 2.996 -11.325 477 H LYS 62 H LYS 62 9.758 2.130 -7.996 478 HA LYS 62 HA LYS 62 11.858 1.600 -5.994 479 1HB LYS 62 2HB LYS 62 12.052 0.974 -8.909 480 2HB LYS 62 1HB LYS 62 13.455 1.728 -8.208 481 1HG LYS 62 2HG LYS 62 14.112 -0.099 -7.058 482 2HG LYS 62 1HG LYS 62 12.514 -0.429 -6.436 483 1HD LYS 62 2HD LYS 62 13.327 -1.055 -9.341 484 2HD LYS 62 1HD LYS 62 13.504 -2.231 -8.054 485 1HE LYS 62 2HE LYS 62 10.852 -0.861 -8.680 486 2HE LYS 62 1HE LYS 62 11.320 -2.423 -9.342 487 1HZ LYS 62 3HZ LYS 62 11.863 -2.533 -6.543 488 2HZ LYS 62 2HZ LYS 62 10.405 -1.800 -6.718 489 3HZ LYS 62 1HZ LYS 62 10.551 -3.254 -7.386 490 H GLN 63 H GLN 63 10.835 4.017 -8.372 491 HA GLN 63 HA GLN 63 13.012 5.757 -7.312 492 1HB GLN 63 2HB GLN 63 12.995 5.253 -9.722 493 2HB GLN 63 1HB GLN 63 11.400 5.949 -9.875 494 1HG GLN 63 2HG GLN 63 12.308 8.231 -9.292 495 2HG GLN 63 1HG GLN 63 13.897 7.531 -8.977 496 1HE2 GLN 63 2HE2 GLN 63 13.165 8.644 -12.620 497 2HE2 GLN 63 1HE2 GLN 63 12.237 9.211 -11.302 498 H LEU 64 H LEU 64 12.654 8.065 -7.245 499 HA LEU 64 HA LEU 64 10.421 8.741 -5.508 500 1HB LEU 64 2HB LEU 64 11.574 10.995 -5.443 501 2HB LEU 64 1HB LEU 64 12.543 9.648 -4.915 502 HG LEU 64 HG LEU 64 12.772 10.373 -7.848 503 1HD1 LEU 64 1HD1 LEU 64 14.003 11.995 -5.557 504 2HD1 LEU 64 3HD1 LEU 64 14.348 12.200 -7.262 505 3HD1 LEU 64 2HD1 LEU 64 12.757 12.582 -6.643 506 1HD2 LEU 64 2HD2 LEU 64 14.217 8.552 -6.658 507 2HD2 LEU 64 1HD2 LEU 64 15.157 9.865 -7.328 508 3HD2 LEU 64 3HD2 LEU 64 14.812 9.815 -5.616 509 H LEU 65 H LEU 65 8.490 8.806 -6.484 510 HA LEU 65 HA LEU 65 7.950 10.214 -8.971 511 1HB LEU 65 2HB LEU 65 6.177 9.101 -6.729 512 2HB LEU 65 1HB LEU 65 5.526 9.913 -8.125 513 HG LEU 65 HG LEU 65 6.398 8.230 -9.652 514 1HD1 LEU 65 2HD1 LEU 65 7.527 6.866 -7.174 515 2HD1 LEU 65 1HD1 LEU 65 7.509 6.213 -8.798 516 3HD1 LEU 65 3HD1 LEU 65 8.487 7.607 -8.451 517 1HD2 LEU 65 3HD2 LEU 65 5.086 6.987 -7.188 518 2HD2 LEU 65 2HD2 LEU 65 4.230 7.730 -8.530 519 3HD2 LEU 65 1HD2 LEU 65 5.135 6.262 -8.781 520 H MET 66 H MET 66 9.094 12.155 -8.383 521 HA MET 66 HA MET 66 7.783 14.112 -6.528 522 1HB MET 66 2HB MET 66 10.375 13.438 -7.165 523 2HB MET 66 1HB MET 66 10.106 14.857 -8.155 524 1HG MET 66 2HG MET 66 9.951 14.688 -5.129 525 2HG MET 66 1HG MET 66 11.044 15.635 -6.088 526 1HE MET 66 2HE MET 66 7.681 15.395 -4.342 527 2HE MET 66 1HE MET 66 8.995 16.251 -3.507 528 3HE MET 66 3HE MET 66 7.554 17.109 -3.992 529 H SER 67 H SER 67 6.582 13.292 -8.865 530 HA SER 67 HA SER 67 6.346 15.816 -10.502 531 1HB SER 67 2HB SER 67 7.139 13.874 -11.734 532 2HB SER 67 1HB SER 67 5.633 13.037 -11.350 533 HG SER 67 HG SER 67 5.990 14.848 -13.283 534 HA PRO 68 HA PRO 68 2.261 16.149 -8.767 535 1HB PRO 68 2HB PRO 68 1.590 18.572 -9.652 536 2HB PRO 68 1HB PRO 68 3.077 18.394 -8.706 537 1HG PRO 68 2HG PRO 68 2.795 18.328 -11.775 538 2HG PRO 68 1HG PRO 68 3.815 19.431 -10.846 539 1HD PRO 68 2HD PRO 68 4.810 17.063 -11.865 540 2HD PRO 68 1HD PRO 68 5.378 17.696 -10.296 541 H GLY 69 H GLY 69 1.926 14.267 -10.338 542 1HA GLY 69 2HA GLY 69 -0.396 13.492 -11.176 543 2HA GLY 69 1HA GLY 69 -0.346 14.881 -12.255 544 H GLN 70 H GLN 70 1.873 12.392 -11.413 545 HA GLN 70 HA GLN 70 2.179 11.623 -14.317 546 1HB GLN 70 2HB GLN 70 4.099 12.936 -13.514 547 2HB GLN 70 1HB GLN 70 4.267 11.848 -12.153 548 1HG GLN 70 2HG GLN 70 4.840 9.926 -13.727 549 2HG GLN 70 1HG GLN 70 4.722 11.028 -15.087 550 1HE2 GLN 70 2HE2 GLN 70 8.094 11.767 -14.645 551 2HE2 GLN 70 1HE2 GLN 70 6.823 11.467 -15.745 552 H SER 71 H SER 71 2.419 9.462 -14.867 553 HA SER 71 HA SER 71 1.955 7.480 -12.674 554 1HB SER 71 2HB SER 71 0.781 6.165 -14.341 555 2HB SER 71 1HB SER 71 0.039 7.734 -14.065 556 HG SER 71 HG SER 71 0.796 6.810 -16.279 557 H THR 72 H THR 72 3.237 5.847 -12.420 558 HA THR 72 HA THR 72 5.381 5.165 -14.463 559 HB THR 72 HB THR 72 6.425 5.966 -12.449 560 HG1 THR 72 HG1 THR 72 6.764 3.287 -12.088 561 1HG2 THR 72 2HG2 THR 72 5.075 3.559 -11.092 562 2HG2 THR 72 1HG2 THR 72 6.210 4.690 -10.360 563 3HG2 THR 72 3HG2 THR 72 4.599 5.225 -10.801 564 H SER 73 H SER 73 5.763 2.790 -14.829 565 HA SER 73 HA SER 73 3.442 1.091 -13.876 566 1HB SER 73 2HB SER 73 3.572 -0.174 -15.893 567 2HB SER 73 1HB SER 73 3.528 1.553 -16.292 568 HG SER 73 HG SER 73 5.547 1.354 -17.070 569 H THR 74 H THR 74 3.659 -0.927 -13.170 570 HA THR 74 HA THR 74 6.321 -2.278 -13.025 571 HB THR 74 HB THR 74 4.741 -1.591 -10.465 572 HG1 THR 74 HG1 THR 74 6.661 -0.393 -11.938 573 1HG2 THR 74 3HG2 THR 74 7.532 -2.800 -10.883 574 2HG2 THR 74 2HG2 THR 74 6.758 -2.480 -9.351 575 3HG2 THR 74 1HG2 THR 74 6.160 -3.771 -10.372 576 H THR 75 H THR 75 6.205 -4.473 -13.182 577 HA THR 75 HA THR 75 3.515 -5.854 -12.946 578 HB THR 75 HB THR 75 5.088 -5.807 -15.239 579 HG1 THR 75 HG1 THR 75 3.311 -7.884 -14.377 580 1HG2 THR 75 1HG2 THR 75 6.555 -7.712 -14.277 581 2HG2 THR 75 3HG2 THR 75 5.089 -8.658 -14.105 582 3HG2 THR 75 2HG2 THR 75 5.596 -8.128 -15.685 583 H PHE 76 H PHE 76 3.710 -8.221 -12.286 584 HA PHE 76 HA PHE 76 5.990 -8.574 -10.339 585 1HB PHE 76 2HB PHE 76 3.237 -9.920 -10.308 586 2HB PHE 76 1HB PHE 76 4.440 -10.047 -9.033 587 HD1 PHE 76 HD2 PHE 76 4.988 -8.018 -7.692 588 HD2 PHE 76 HD1 PHE 76 1.917 -7.968 -10.618 589 HE1 PHE 76 HE2 PHE 76 4.132 -5.916 -6.755 590 HE2 PHE 76 HE1 PHE 76 1.046 -5.893 -9.692 591 HZ PHE 76 HZ PHE 76 2.146 -4.854 -7.744 592 HA PRO 77 HA PRO 77 7.979 -11.603 -12.752 593 1HB PRO 77 2HB PRO 77 8.674 -13.515 -10.827 594 2HB PRO 77 1HB PRO 77 9.539 -12.014 -11.114 595 1HG PRO 77 2HG PRO 77 7.266 -12.510 -9.111 596 2HG PRO 77 1HG PRO 77 8.847 -11.829 -8.772 597 1HD PRO 77 2HD PRO 77 6.846 -10.142 -9.136 598 2HD PRO 77 1HD PRO 77 8.308 -9.804 -10.103 599 H ALA 78 H ALA 78 5.576 -12.984 -10.800 600 HA ALA 78 HA ALA 78 3.668 -14.155 -12.245 601 1HB ALA 78 3HB ALA 78 6.045 -16.087 -12.486 602 2HB ALA 78 2HB ALA 78 4.396 -16.462 -12.974 603 3HB ALA 78 1HB ALA 78 5.298 -15.230 -13.825 604 H ASP 79 H ASP 79 6.120 -15.413 -10.079 605 HA ASP 79 HA ASP 79 4.672 -17.311 -8.629 606 1HB ASP 79 2HB ASP 79 6.569 -16.608 -6.865 607 2HB ASP 79 1HB ASP 79 7.138 -17.071 -8.459 608 H ALA 80 H ALA 80 5.164 -14.097 -7.568 609 HA ALA 80 HA ALA 80 4.109 -13.331 -5.391 610 1HB ALA 80 1HB ALA 80 4.437 -11.806 -7.275 611 2HB ALA 80 3HB ALA 80 2.949 -12.377 -8.023 612 3HB ALA 80 2HB ALA 80 2.872 -11.445 -6.533 613 HA PRO 81 HA PRO 81 0.739 -16.394 -5.913 614 1HB PRO 81 2HB PRO 81 0.599 -17.489 -3.371 615 2HB PRO 81 1HB PRO 81 1.891 -17.868 -4.524 616 1HG PRO 81 2HG PRO 81 1.923 -15.630 -2.397 617 2HG PRO 81 1HG PRO 81 3.073 -16.968 -2.534 618 1HD PRO 81 2HD PRO 81 3.715 -14.650 -3.705 619 2HD PRO 81 1HD PRO 81 3.912 -16.119 -4.694 620 H ALA 82 H ALA 82 -1.427 -16.737 -5.330 621 HA ALA 82 HA ALA 82 -3.062 -14.538 -5.125 622 1HB ALA 82 1HB ALA 82 -3.645 -17.442 -4.420 623 2HB ALA 82 3HB ALA 82 -4.871 -16.232 -4.747 624 3HB ALA 82 2HB ALA 82 -3.759 -16.699 -6.018 625 H GLY 83 H GLY 83 -1.928 -13.457 -3.246 626 1HA GLY 83 2HA GLY 83 -3.620 -13.640 -0.780 627 2HA GLY 83 1HA GLY 83 -1.866 -13.506 -0.634 628 H GLU 84 H GLU 84 -2.963 -11.632 0.633 629 HA GLU 84 HA GLU 84 -3.164 -9.205 -1.136 630 1HB GLU 84 2HB GLU 84 -5.163 -9.892 0.256 631 2HB GLU 84 1HB GLU 84 -4.230 -9.426 1.666 632 1HG GLU 84 2HG GLU 84 -3.807 -7.150 0.607 633 2HG GLU 84 1HG GLU 84 -4.704 -7.624 -0.782 634 H TYR 85 H TYR 85 -1.206 -8.271 -1.170 635 HA TYR 85 HA TYR 85 0.395 -7.943 1.359 636 1HB TYR 85 2HB TYR 85 1.533 -7.703 -1.448 637 2HB TYR 85 1HB TYR 85 2.386 -8.093 0.041 638 HD1 TYR 85 HD1 TYR 85 0.848 -10.121 1.319 639 HD2 TYR 85 HD2 TYR 85 1.531 -9.596 -2.842 640 HE1 TYR 85 HE1 TYR 85 0.432 -12.521 0.931 641 HE2 TYR 85 HE2 TYR 85 1.107 -12.013 -3.202 642 HH TYR 85 HH TYR 85 0.239 -13.795 -2.263 643 H THR 86 H THR 86 1.729 -5.966 1.542 644 HA THR 86 HA THR 86 0.157 -3.588 0.541 645 HB THR 86 HB THR 86 1.626 -3.931 3.141 646 HG1 THR 86 HG1 THR 86 -0.634 -2.548 2.215 647 1HG2 THR 86 1HG2 THR 86 0.812 -1.188 2.069 648 2HG2 THR 86 3HG2 THR 86 1.359 -1.603 3.679 649 3HG2 THR 86 2HG2 THR 86 2.477 -1.677 2.341 650 H PHE 87 H PHE 87 0.766 -1.793 -0.178 651 HA PHE 87 HA PHE 87 3.472 -1.670 -1.317 652 1HB PHE 87 2HB PHE 87 1.451 0.632 -1.563 653 2HB PHE 87 1HB PHE 87 2.681 0.235 -2.722 654 HD1 PHE 87 HD1 PHE 87 -0.617 -0.452 -1.495 655 HD2 PHE 87 HD2 PHE 87 2.117 -1.260 -4.615 656 HE1 PHE 87 HE1 PHE 87 -2.465 -1.364 -2.844 657 HE2 PHE 87 HE2 PHE 87 0.284 -2.179 -5.986 658 HZ PHE 87 HZ PHE 87 -2.023 -2.223 -5.069 659 H TYR 88 H TYR 88 4.912 -0.540 -0.371 660 HA TYR 88 HA TYR 88 4.137 1.139 1.868 661 1HB TYR 88 2HB TYR 88 5.094 -0.984 2.384 662 2HB TYR 88 1HB TYR 88 6.399 -0.784 1.231 663 HD1 TYR 88 HD2 TYR 88 8.152 0.835 1.616 664 HD2 TYR 88 HD1 TYR 88 5.171 -0.002 4.500 665 HE1 TYR 88 HE2 TYR 88 9.524 1.882 3.275 666 HE2 TYR 88 HE1 TYR 88 6.507 1.032 6.188 667 HH TYR 88 HH TYR 88 9.547 2.666 5.413 668 H CYS 89 H CYS 89 4.290 3.191 1.523 669 HA CYS 89 HA CYS 89 6.362 4.404 -0.267 670 1HB CYS 89 2HB CYS 89 3.825 4.907 -0.275 671 2HB CYS 89 1HB CYS 89 4.141 5.753 1.216 672 H GLU 90 H GLU 90 8.037 3.888 1.201 673 HA GLU 90 HA GLU 90 8.774 4.401 3.657 674 1HB GLU 90 2HB GLU 90 10.374 3.751 2.034 675 2HB GLU 90 1HB GLU 90 10.242 5.231 1.117 676 1HG GLU 90 2HG GLU 90 12.343 5.141 2.596 677 2HG GLU 90 1HG GLU 90 11.331 6.489 3.043 678 HA PRO 91 HA PRO 91 9.530 9.089 4.020 679 1HB PRO 91 2HB PRO 91 8.718 10.823 2.076 680 2HB PRO 91 1HB PRO 91 10.244 9.938 1.953 681 1HG PRO 91 2HG PRO 91 7.504 9.051 0.831 682 2HG PRO 91 1HG PRO 91 8.982 9.318 -0.098 683 1HD PRO 91 2HD PRO 91 8.465 6.813 0.747 684 2HD PRO 91 1HD PRO 91 10.112 7.435 0.994 685 H HIS 92 HN HIP 92 6.663 7.699 3.252 686 HA HIS 92 HA HIP 92 5.047 9.671 4.849 687 1HB HIS 92 2HB HIP 92 4.173 7.925 2.488 688 2HB HIS 92 1HB HIP 92 3.126 9.044 3.357 689 HD2 HIS 92 HD2 HIP 92 5.302 11.570 3.524 690 HE1 HIS 92 HE1 HIP 92 5.128 11.383 -0.639 691 HE2 HIS 92 HE2 HIP 92 5.730 12.720 1.295 692 H ARG 93 H ARG 93 5.338 6.279 4.080 693 HA ARG 93 HA ARG 93 4.551 4.335 5.234 694 1HB ARG 93 2HB ARG 93 5.577 6.222 7.406 695 2HB ARG 93 1HB ARG 93 5.280 4.531 7.751 696 1HG ARG 93 2HG ARG 93 7.050 3.771 6.344 697 2HG ARG 93 1HG ARG 93 7.053 5.240 5.409 698 1HD ARG 93 2HD ARG 93 7.992 6.515 7.241 699 2HD ARG 93 1HD ARG 93 7.891 5.151 8.356 700 HE ARG 93 HE ARG 93 9.626 5.133 5.832 701 1HH1 ARG 93 2HH1 ARG 93 8.921 2.923 7.610 702 2HH1 ARG 93 1HH1 ARG 93 10.415 2.620 8.457 703 1HH2 ARG 93 1HH2 ARG 93 11.459 5.615 7.064 704 2HH2 ARG 93 2HH2 ARG 93 12.047 4.355 8.095 705 H GLY 94 H GLY 94 3.528 4.198 7.858 706 1HA GLY 94 2HA GLY 94 0.863 3.751 7.780 707 2HA GLY 94 1HA GLY 94 1.564 4.429 9.221 708 H ALA 95 H ALA 95 2.005 7.022 8.288 709 HA ALA 95 HA ALA 95 -0.803 8.035 8.271 710 1HB ALA 95 2HB ALA 95 0.709 8.712 10.143 711 2HB ALA 95 1HB ALA 95 1.860 9.359 8.980 712 3HB ALA 95 3HB ALA 95 0.290 10.112 9.167 713 H GLY 96 H GLY 96 -0.710 7.313 6.042 714 1HA GLY 96 2HA GLY 96 -1.222 9.141 4.121 715 2HA GLY 96 1HA GLY 96 0.527 9.217 4.081 716 H MET 97 H MET 97 0.958 6.332 4.321 717 HA MET 97 HA MET 97 -0.413 5.442 1.819 718 1HB MET 97 2HB MET 97 2.474 5.828 2.314 719 2HB MET 97 1HB MET 97 2.072 4.436 1.323 720 1HG MET 97 2HG MET 97 2.069 5.971 -0.420 721 2HG MET 97 1HG MET 97 0.472 6.267 0.129 722 1HE MET 97 1HE MET 97 -0.464 8.072 0.095 723 2HE MET 97 3HE MET 97 0.052 9.628 0.642 724 3HE MET 97 2HE MET 97 0.418 9.104 -1.011 725 H VAL 98 H VAL 98 -1.646 4.186 3.224 726 HA VAL 98 HA VAL 98 -0.437 1.500 3.862 727 HB VAL 98 HB VAL 98 -2.928 2.805 5.022 728 1HG1 VAL 98 3HG1 VAL 98 -1.384 0.281 5.817 729 2HG1 VAL 98 2HG1 VAL 98 -2.761 0.948 6.676 730 3HG1 VAL 98 1HG1 VAL 98 -2.970 0.297 5.064 731 1HG2 VAL 98 1HG2 VAL 98 -0.137 2.365 6.194 732 2HG2 VAL 98 3HG2 VAL 98 -0.792 3.927 5.739 733 3HG2 VAL 98 2HG2 VAL 98 -1.507 3.039 7.066 734 H GLY 99 H GLY 99 -0.751 0.996 1.453 735 1HA GLY 99 2HA GLY 99 -3.601 0.135 0.852 736 2HA GLY 99 1HA GLY 99 -2.515 0.733 -0.385 737 H LYS 100 H LYS 100 -3.799 -1.606 -0.742 738 HA LYS 100 HA LYS 100 -1.522 -3.494 -0.723 739 1HB LYS 100 2HB LYS 100 -4.345 -4.030 0.256 740 2HB LYS 100 1HB LYS 100 -3.242 -5.330 -0.150 741 1HG LYS 100 2HG LYS 100 -1.549 -4.374 1.412 742 2HG LYS 100 1HG LYS 100 -2.704 -3.195 1.989 743 1HD LYS 100 2HD LYS 100 -2.975 -6.246 2.100 744 2HD LYS 100 1HD LYS 100 -2.441 -5.250 3.417 745 1HE LYS 100 2HE LYS 100 -4.507 -4.375 3.883 746 2HE LYS 100 1HE LYS 100 -5.088 -4.520 2.235 747 1HZ LYS 100 2HZ LYS 100 -4.462 -7.116 3.033 748 2HZ LYS 100 1HZ LYS 100 -5.361 -6.483 4.333 749 3HZ LYS 100 3HZ LYS 100 -5.961 -6.501 2.752 750 H ILE 101 H ILE 101 -1.505 -5.180 -1.891 751 HA ILE 101 HA ILE 101 -2.773 -5.166 -4.602 752 HB ILE 101 HB ILE 101 0.022 -5.461 -3.679 753 1HG1 ILE 101 2HG1 ILE 101 -1.203 -4.161 -5.743 754 2HG1 ILE 101 1HG1 ILE 101 0.507 -4.455 -5.698 755 1HG2 ILE 101 3HG2 ILE 101 -0.980 -7.728 -5.500 756 2HG2 ILE 101 2HG2 ILE 101 0.705 -7.374 -5.228 757 3HG2 ILE 101 1HG2 ILE 101 -0.285 -7.944 -3.912 758 1HD1 ILE 101 2HD1 ILE 101 -1.563 -6.255 -7.055 759 2HD1 ILE 101 1HD1 ILE 101 -0.488 -5.180 -7.931 760 3HD1 ILE 101 3HD1 ILE 101 0.150 -6.566 -7.109 761 H THR 102 H THR 102 -4.199 -6.762 -4.776 762 HA THR 102 HA THR 102 -4.024 -9.231 -3.063 763 HB THR 102 HB THR 102 -6.594 -8.320 -4.474 764 HG1 THR 102 HG1 THR 102 -5.173 -7.214 -2.504 765 1HG2 THR 102 1HG2 THR 102 -6.318 -10.654 -3.337 766 2HG2 THR 102 3HG2 THR 102 -5.959 -9.784 -1.856 767 3HG2 THR 102 2HG2 THR 102 -7.535 -9.619 -2.615 768 H VAL 103 H VAL 103 -3.425 -10.972 -4.191 769 HA VAL 103 HA VAL 103 -3.674 -10.903 -7.186 770 HB VAL 103 HB VAL 103 -1.996 -12.657 -5.334 771 1HG1 VAL 103 1HG1 VAL 103 -1.980 -12.391 -8.373 772 2HG1 VAL 103 3HG1 VAL 103 -0.880 -13.370 -7.419 773 3HG1 VAL 103 2HG1 VAL 103 -2.573 -13.802 -7.506 774 1HG2 VAL 103 1HG2 VAL 103 -1.239 -10.280 -5.465 775 2HG2 VAL 103 3HG2 VAL 103 -0.107 -11.383 -6.218 776 3HG2 VAL 103 2HG2 VAL 103 -1.171 -10.420 -7.216 777 H ALA 104 H ALA 104 -5.099 -12.072 -8.193 778 HA ALA 104 HA ALA 104 -6.512 -14.308 -6.762 779 1HB ALA 104 1HB ALA 104 -7.462 -12.364 -8.933 780 2HB ALA 104 3HB ALA 104 -8.469 -13.616 -8.219 781 3HB ALA 104 2HB ALA 104 -7.881 -12.284 -7.231 782 H GLY 105 HN GLY 105 -7.177 -14.014 -10.073 783 1HA GLY 105 2HA GLY 105 -5.319 -16.169 -10.953 784 2HA GLY 105 1HA GLY 105 -7.060 -16.296 -11.257 No H/Q in entry = 784 Start of MODEL 6 1 1H GLU 1 2H GLU 1 -4.744 -5.752 -14.098 2 2H GLU 1 1H GLU 1 -6.145 -6.080 -15.002 3 3H GLU 1 3H GLU 1 -4.796 -7.076 -15.122 4 HA GLU 1 HA GLU 1 -3.708 -5.844 -16.564 5 1HB GLU 1 2HB GLU 1 -6.467 -4.438 -16.630 6 2HB GLU 1 1HB GLU 1 -5.288 -4.339 -17.920 7 1HG GLU 1 2HG GLU 1 -7.092 -6.158 -18.340 8 2HG GLU 1 1HG GLU 1 -5.477 -6.817 -18.367 9 H THR 2 H THR 2 -2.310 -3.677 -16.542 10 HA THR 2 HA THR 2 -2.083 -2.403 -14.016 11 HB THR 2 HB THR 2 -0.516 -2.269 -16.230 12 HG1 THR 2 HG1 THR 2 -0.362 0.025 -14.897 13 1HG2 THR 2 3HG2 THR 2 -2.045 -0.722 -17.448 14 2HG2 THR 2 2HG2 THR 2 -1.765 0.443 -16.151 15 3HG2 THR 2 1HG2 THR 2 -0.408 -0.161 -17.103 16 H TYR 3 H TYR 3 -3.746 -2.096 -13.041 17 HA TYR 3 HA TYR 3 -5.815 -0.184 -13.864 18 1HB TYR 3 2HB TYR 3 -5.256 -1.355 -11.074 19 2HB TYR 3 1HB TYR 3 -6.761 -0.625 -11.580 20 HD1 TYR 3 HD2 TYR 3 -8.068 -1.749 -13.450 21 HD2 TYR 3 HD1 TYR 3 -4.860 -3.694 -11.442 22 HE1 TYR 3 HE2 TYR 3 -8.896 -3.940 -14.228 23 HE2 TYR 3 HE1 TYR 3 -5.719 -5.874 -12.226 24 HH TYR 3 HH TYR 3 -8.259 -6.099 -14.544 25 H THR 4 H THR 4 -6.034 1.911 -13.148 26 HA THR 4 HA THR 4 -3.568 3.293 -12.460 27 HB THR 4 HB THR 4 -5.025 4.394 -14.026 28 HG1 THR 4 HG1 THR 4 -4.060 5.676 -12.643 29 1HG2 THR 4 2HG2 THR 4 -7.123 4.388 -11.813 30 2HG2 THR 4 1HG2 THR 4 -7.276 5.213 -13.358 31 3HG2 THR 4 3HG2 THR 4 -7.255 3.463 -13.279 32 H VAL 5 H VAL 5 -3.291 2.094 -10.461 33 HA VAL 5 HA VAL 5 -4.785 3.022 -8.089 34 HB VAL 5 HB VAL 5 -2.186 1.405 -8.267 35 1HG1 VAL 5 1HG1 VAL 5 -4.259 1.675 -6.023 36 2HG1 VAL 5 3HG1 VAL 5 -2.842 0.640 -5.965 37 3HG1 VAL 5 2HG1 VAL 5 -2.648 2.378 -6.001 38 1HG2 VAL 5 2HG2 VAL 5 -5.100 0.477 -8.004 39 2HG2 VAL 5 1HG2 VAL 5 -4.099 0.260 -9.428 40 3HG2 VAL 5 3HG2 VAL 5 -3.699 -0.586 -7.940 41 H LYS 6 H LYS 6 -4.293 5.156 -8.945 42 HA LYS 6 HA LYS 6 -1.964 6.649 -9.004 43 1HB LYS 6 2HB LYS 6 -4.712 7.393 -7.898 44 2HB LYS 6 1HB LYS 6 -3.490 8.585 -8.279 45 1HG LYS 6 2HG LYS 6 -3.452 8.064 -10.609 46 2HG LYS 6 1HG LYS 6 -4.277 6.549 -10.408 47 1HD LYS 6 2HD LYS 6 -5.522 9.306 -9.889 48 2HD LYS 6 1HD LYS 6 -5.726 8.423 -11.390 49 1HE LYS 6 2HE LYS 6 -6.653 7.561 -8.628 50 2HE LYS 6 1HE LYS 6 -7.669 8.146 -9.927 51 1HZ LYS 6 2HZ LYS 6 -6.086 6.058 -11.040 52 2HZ LYS 6 1HZ LYS 6 -6.684 5.497 -9.614 53 3HZ LYS 6 3HZ LYS 6 -7.752 6.008 -10.701 54 H LEU 7 H LEU 7 -0.933 8.094 -7.481 55 HA LEU 7 HA LEU 7 -0.564 6.763 -4.862 56 1HB LEU 7 2HB LEU 7 0.939 9.023 -6.275 57 2HB LEU 7 1HB LEU 7 1.504 8.194 -4.838 58 HG LEU 7 HG LEU 7 0.879 6.735 -7.479 59 1HD1 LEU 7 2HD1 LEU 7 3.586 7.557 -6.368 60 2HD1 LEU 7 1HD1 LEU 7 3.303 6.577 -7.784 61 3HD1 LEU 7 3HD1 LEU 7 2.820 8.246 -7.777 62 1HD2 LEU 7 1HD2 LEU 7 2.389 5.912 -4.967 63 2HD2 LEU 7 3HD2 LEU 7 0.786 5.357 -5.426 64 3HD2 LEU 7 2HD2 LEU 7 2.167 4.918 -6.396 65 H GLY 8 H GLY 8 -2.781 8.435 -5.633 66 1HA GLY 8 2HA GLY 8 -4.421 9.444 -4.259 67 2HA GLY 8 1HA GLY 8 -3.213 9.767 -3.055 68 H SER 9 H SER 9 -5.052 11.143 -3.284 69 HA SER 9 HA SER 9 -5.743 13.337 -2.980 70 1HB SER 9 2HB SER 9 -3.382 13.746 -2.592 71 2HB SER 9 1HB SER 9 -3.107 14.025 -4.307 72 HG SER 9 HG SER 9 -4.258 15.658 -2.416 73 H ASP 10 H ASP 10 -6.279 11.812 -5.415 74 HA ASP 10 HA ASP 10 -7.118 14.029 -7.249 75 1HB ASP 10 2HB ASP 10 -6.877 12.252 -8.972 76 2HB ASP 10 1HB ASP 10 -5.464 12.144 -7.915 77 H LYS 11 H LYS 11 -8.279 10.832 -6.312 78 HA LYS 11 HA LYS 11 -11.033 11.919 -5.858 79 1HB LYS 11 2HB LYS 11 -10.442 10.182 -7.731 80 2HB LYS 11 1HB LYS 11 -10.321 9.009 -6.457 81 1HG LYS 11 2HG LYS 11 -12.811 10.503 -7.438 82 2HG LYS 11 1HG LYS 11 -12.596 8.768 -7.249 83 1HD LYS 11 2HD LYS 11 -12.303 9.149 -4.755 84 2HD LYS 11 1HD LYS 11 -12.716 10.847 -5.063 85 1HE LYS 11 2HE LYS 11 -14.951 10.264 -5.678 86 2HE LYS 11 1HE LYS 11 -14.604 8.565 -5.277 87 1HZ LYS 11 3HZ LYS 11 -13.414 10.218 -3.322 88 2HZ LYS 11 2HZ LYS 11 -15.017 10.740 -3.433 89 3HZ LYS 11 1HZ LYS 11 -14.668 9.117 -3.044 90 H GLY 12 H GLY 12 -8.441 9.997 -4.592 91 1HA GLY 12 2HA GLY 12 -9.733 9.638 -1.888 92 2HA GLY 12 1HA GLY 12 -8.644 8.477 -2.596 93 H LEU 13 H LEU 13 -8.676 11.808 -1.517 94 HA LEU 13 HA LEU 13 -6.539 13.090 -1.041 95 1HB LEU 13 2HB LEU 13 -8.450 12.509 0.706 96 2HB LEU 13 1HB LEU 13 -7.224 11.580 1.511 97 HG LEU 13 HG LEU 13 -7.235 14.580 0.932 98 1HD1 LEU 13 2HD1 LEU 13 -7.215 12.917 3.487 99 2HD1 LEU 13 1HD1 LEU 13 -7.229 14.668 3.413 100 3HD1 LEU 13 3HD1 LEU 13 -8.608 13.760 2.831 101 1HD2 LEU 13 3HD2 LEU 13 -5.062 12.923 2.285 102 2HD2 LEU 13 2HD2 LEU 13 -4.899 13.715 0.718 103 3HD2 LEU 13 1HD2 LEU 13 -5.106 14.669 2.167 104 H LEU 14 H LEU 14 -5.542 10.708 1.369 105 HA LEU 14 HA LEU 14 -3.107 10.169 -0.331 106 1HB LEU 14 2HB LEU 14 -3.429 10.469 2.664 107 2HB LEU 14 1HB LEU 14 -1.966 9.858 1.934 108 HG LEU 14 HG LEU 14 -3.250 12.474 1.131 109 1HD1 LEU 14 1HD1 LEU 14 -2.399 12.525 3.502 110 2HD1 LEU 14 3HD1 LEU 14 -0.846 11.923 2.946 111 3HD1 LEU 14 2HD1 LEU 14 -1.394 13.516 2.459 112 1HD2 LEU 14 2HD2 LEU 14 -0.424 11.338 0.659 113 2HD2 LEU 14 1HD2 LEU 14 -1.641 11.484 -0.590 114 3HD2 LEU 14 3HD2 LEU 14 -0.967 12.914 0.131 115 H VAL 15 H VAL 15 -5.509 8.605 -0.389 116 HA VAL 15 HA VAL 15 -4.623 5.926 0.670 117 HB VAL 15 HB VAL 15 -6.967 5.296 0.714 118 1HG1 VAL 15 2HG1 VAL 15 -5.984 6.597 2.656 119 2HG1 VAL 15 1HG1 VAL 15 -6.484 8.089 1.888 120 3HG1 VAL 15 3HG1 VAL 15 -7.694 6.955 2.449 121 1HG2 VAL 15 3HG2 VAL 15 -7.729 6.770 -1.258 122 2HG2 VAL 15 2HG2 VAL 15 -8.747 6.890 0.163 123 3HG2 VAL 15 1HG2 VAL 15 -7.587 8.143 -0.174 124 H PHE 16 H PHE 16 -3.725 7.134 -1.737 125 HA PHE 16 HA PHE 16 -3.277 6.600 -4.023 126 1HB PHE 16 2HB PHE 16 -4.397 3.925 -3.065 127 2HB PHE 16 1HB PHE 16 -3.562 4.159 -4.598 128 HD1 PHE 16 HD1 PHE 16 -3.149 4.357 -0.907 129 HD2 PHE 16 HD2 PHE 16 -1.205 4.344 -4.687 130 HE1 PHE 16 HE1 PHE 16 -0.991 4.142 0.213 131 HE2 PHE 16 HE2 PHE 16 0.968 4.128 -3.565 132 HZ PHE 16 HZ PHE 16 1.074 4.032 -1.091 133 H GLU 17 H GLU 17 -5.601 4.596 -4.395 134 HA GLU 17 HA GLU 17 -7.353 6.540 -5.936 135 1HB GLU 17 2HB GLU 17 -6.006 4.812 -7.167 136 2HB GLU 17 1HB GLU 17 -7.018 3.567 -6.504 137 1HG GLU 17 2HG GLU 17 -9.056 4.990 -7.507 138 2HG GLU 17 1HG GLU 17 -7.878 5.942 -8.261 139 HA PRO 18 HA PRO 18 -9.148 3.824 -2.610 140 1HB PRO 18 2HB PRO 18 -10.758 1.779 -2.992 141 2HB PRO 18 1HB PRO 18 -11.288 3.403 -3.491 142 1HG PRO 18 2HG PRO 18 -10.158 1.152 -5.237 143 2HG PRO 18 1HG PRO 18 -11.496 2.239 -5.603 144 1HD PRO 18 2HD PRO 18 -8.737 2.603 -6.370 145 2HD PRO 18 1HD PRO 18 -10.086 3.755 -6.534 146 H ALA 19 H ALA 19 -6.894 3.334 -2.338 147 HA ALA 19 HA ALA 19 -4.927 1.938 -2.721 148 1HB ALA 19 3HB ALA 19 -6.449 1.731 -0.110 149 2HB ALA 19 2HB ALA 19 -4.746 1.336 -0.253 150 3HB ALA 19 1HB ALA 19 -5.300 2.964 -0.587 151 H LYS 20 H LYS 20 -7.538 -0.282 -2.427 152 HA LYS 20 HA LYS 20 -5.508 -2.533 -2.494 153 1HB LYS 20 2HB LYS 20 -7.119 -4.036 -1.564 154 2HB LYS 20 1HB LYS 20 -7.115 -2.567 -0.647 155 1HG LYS 20 2HG LYS 20 -9.267 -2.080 -1.018 156 2HG LYS 20 1HG LYS 20 -9.161 -2.280 -2.731 157 1HD LYS 20 2HD LYS 20 -9.114 -4.833 -1.035 158 2HD LYS 20 1HD LYS 20 -10.611 -3.946 -1.061 159 1HE LYS 20 2HE LYS 20 -10.664 -5.693 -2.778 160 2HE LYS 20 1HE LYS 20 -10.715 -4.101 -3.528 161 1HZ LYS 20 1HZ LYS 20 -8.014 -4.822 -3.173 162 2HZ LYS 20 3HZ LYS 20 -8.733 -6.109 -4.027 163 3HZ LYS 20 2HZ LYS 20 -8.819 -4.504 -4.576 164 H LEU 21 H LEU 21 -5.005 -3.399 -4.311 165 HA LEU 21 HA LEU 21 -7.059 -3.770 -6.463 166 1HB LEU 21 2HB LEU 21 -4.920 -2.367 -6.824 167 2HB LEU 21 1HB LEU 21 -4.079 -3.881 -6.774 168 HG LEU 21 HG LEU 21 -4.540 -3.302 -9.179 169 1HD1 LEU 21 1HD1 LEU 21 -4.826 -5.764 -8.474 170 2HD1 LEU 21 3HD1 LEU 21 -6.551 -5.514 -8.518 171 3HD1 LEU 21 2HD1 LEU 21 -5.639 -5.328 -9.955 172 1HD2 LEU 21 3HD2 LEU 21 -7.485 -3.383 -8.363 173 2HD2 LEU 21 2HD2 LEU 21 -6.586 -1.937 -8.789 174 3HD2 LEU 21 1HD2 LEU 21 -6.889 -3.194 -9.969 175 H THR 22 H THR 22 -7.794 -5.827 -6.722 176 HA THR 22 HA THR 22 -6.037 -8.118 -5.844 177 HB THR 22 HB THR 22 -9.001 -8.182 -6.720 178 HG1 THR 22 HG1 THR 22 -8.310 -8.488 -4.112 179 1HG2 THR 22 2HG2 THR 22 -7.316 -9.987 -4.866 180 2HG2 THR 22 1HG2 THR 22 -8.990 -10.237 -5.339 181 3HG2 THR 22 3HG2 THR 22 -7.709 -10.385 -6.520 182 H ILE 23 H ILE 23 -4.617 -7.571 -7.668 183 HA ILE 23 HA ILE 23 -5.516 -7.783 -10.397 184 HB ILE 23 HB ILE 23 -3.071 -8.237 -11.010 185 1HG1 ILE 23 2HG1 ILE 23 -2.180 -7.716 -8.271 186 2HG1 ILE 23 1HG1 ILE 23 -2.577 -9.320 -8.810 187 1HG2 ILE 23 3HG2 ILE 23 -3.835 -5.956 -11.126 188 2HG2 ILE 23 2HG2 ILE 23 -3.252 -5.672 -9.487 189 3HG2 ILE 23 1HG2 ILE 23 -2.154 -6.118 -10.751 190 1HD1 ILE 23 3HD1 ILE 23 -0.645 -7.496 -10.365 191 2HD1 ILE 23 2HD1 ILE 23 -0.102 -8.793 -9.353 192 3HD1 ILE 23 1HD1 ILE 23 -1.052 -9.143 -10.768 193 H LYS 24 H LYS 24 -4.468 -9.378 -11.921 194 HA LYS 24 HA LYS 24 -5.227 -11.971 -10.835 195 1HB LYS 24 2HB LYS 24 -5.097 -10.778 -13.612 196 2HB LYS 24 1HB LYS 24 -4.990 -12.512 -13.520 197 1HG LYS 24 2HG LYS 24 -7.334 -12.079 -13.767 198 2HG LYS 24 1HG LYS 24 -7.112 -12.535 -12.103 199 1HD LYS 24 2HD LYS 24 -8.406 -10.677 -11.677 200 2HD LYS 24 1HD LYS 24 -6.897 -9.826 -11.769 201 1HE LYS 24 2HE LYS 24 -8.658 -10.211 -14.202 202 2HE LYS 24 1HE LYS 24 -8.829 -8.852 -13.108 203 1HZ LYS 24 2HZ LYS 24 -6.058 -9.017 -13.769 204 2HZ LYS 24 1HZ LYS 24 -6.940 -9.092 -15.198 205 3HZ LYS 24 3HZ LYS 24 -7.199 -7.876 -14.145 206 HA PRO 25 HA PRO 25 -1.406 -14.332 -10.583 207 1HB PRO 25 2HB PRO 25 -1.642 -15.721 -13.129 208 2HB PRO 25 1HB PRO 25 -1.864 -16.335 -11.502 209 1HG PRO 25 2HG PRO 25 -3.933 -15.150 -13.401 210 2HG PRO 25 1HG PRO 25 -4.155 -16.417 -12.189 211 1HD PRO 25 2HD PRO 25 -5.122 -14.015 -11.616 212 2HD PRO 25 1HD PRO 25 -4.145 -14.814 -10.371 213 H GLY 26 H GLY 26 -0.388 -11.886 -11.127 214 1HA GLY 26 2HA GLY 26 2.040 -11.645 -11.816 215 2HA GLY 26 1HA GLY 26 1.646 -12.415 -13.330 216 H ASP 27 H ASP 27 -0.876 -10.800 -13.023 217 HA ASP 27 HA ASP 27 -0.700 -8.936 -14.985 218 1HB ASP 27 2HB ASP 27 -2.654 -9.982 -13.967 219 2HB ASP 27 1HB ASP 27 -2.354 -9.219 -12.443 220 H THR 28 H THR 28 -1.135 -6.641 -14.812 221 HA THR 28 HA THR 28 1.015 -5.103 -13.520 222 HB THR 28 HB THR 28 -0.620 -4.185 -15.816 223 HG1 THR 28 HG1 THR 28 1.426 -6.094 -15.630 224 1HG2 THR 28 2HG2 THR 28 2.337 -3.941 -15.010 225 2HG2 THR 28 1HG2 THR 28 1.567 -3.079 -16.317 226 3HG2 THR 28 3HG2 THR 28 1.202 -2.650 -14.652 227 H VAL 29 H VAL 29 0.817 -3.417 -12.508 228 HA VAL 29 HA VAL 29 -1.720 -2.264 -11.514 229 HB VAL 29 HB VAL 29 -0.711 -3.639 -10.000 230 1HG1 VAL 29 1HG1 VAL 29 1.676 -3.202 -10.418 231 2HG1 VAL 29 3HG1 VAL 29 1.495 -1.549 -9.865 232 3HG1 VAL 29 2HG1 VAL 29 1.270 -2.875 -8.746 233 1HG2 VAL 29 1HG2 VAL 29 -2.179 -1.721 -9.281 234 2HG2 VAL 29 3HG2 VAL 29 -0.910 -1.995 -8.105 235 3HG2 VAL 29 2HG2 VAL 29 -0.783 -0.661 -9.229 236 H GLU 30 H GLU 30 -1.673 0.364 -11.584 237 HA GLU 30 HA GLU 30 0.908 1.489 -12.401 238 1HB GLU 30 2HB GLU 30 -0.796 2.010 -14.035 239 2HB GLU 30 1HB GLU 30 -1.916 2.432 -12.780 240 1HG GLU 30 2HG GLU 30 -0.225 4.414 -12.145 241 2HG GLU 30 1HG GLU 30 0.587 4.020 -13.643 242 H PHE 31 H PHE 31 1.900 2.999 -11.381 243 HA PHE 31 HA PHE 31 0.872 4.032 -8.751 244 1HB PHE 31 2HB PHE 31 3.733 3.642 -9.713 245 2HB PHE 31 1HB PHE 31 3.269 4.160 -8.116 246 HD1 PHE 31 HD2 PHE 31 0.833 2.155 -7.878 247 HD2 PHE 31 HD1 PHE 31 4.906 1.710 -9.029 248 HE1 PHE 31 HE2 PHE 31 0.778 -0.178 -7.165 249 HE2 PHE 31 HE1 PHE 31 4.853 -0.640 -8.310 250 HZ PHE 31 HZ PHE 31 2.791 -1.590 -7.376 251 H LEU 32 H LEU 32 -0.227 5.624 -10.302 252 HA LEU 32 HA LEU 32 1.392 7.619 -11.627 253 1HB LEU 32 2HB LEU 32 -1.115 6.765 -11.996 254 2HB LEU 32 1HB LEU 32 -1.472 8.109 -10.944 255 HG LEU 32 HG LEU 32 0.002 8.262 -13.606 256 1HD1 LEU 32 3HD1 LEU 32 -2.741 9.191 -12.689 257 2HD1 LEU 32 2HD1 LEU 32 -2.051 9.450 -14.285 258 3HD1 LEU 32 1HD1 LEU 32 -2.389 7.822 -13.738 259 1HD2 LEU 32 3HD2 LEU 32 -0.855 10.509 -11.703 260 2HD2 LEU 32 2HD2 LEU 32 0.816 10.056 -12.029 261 3HD2 LEU 32 1HD2 LEU 32 -0.174 10.718 -13.310 262 H ASN 33 H ASN 33 2.424 9.162 -10.690 263 HA ASN 33 HA ASN 33 1.957 10.053 -7.919 264 1HB ASN 33 2HB ASN 33 4.227 9.881 -9.082 265 2HB ASN 33 1HB ASN 33 3.784 11.333 -9.977 266 1HD2 ASN 33 2HD2 ASN 33 4.527 13.406 -7.304 267 2HD2 ASN 33 1HD2 ASN 33 3.986 13.307 -8.925 268 H ASN 34 H ASN 34 -0.371 10.726 -8.577 269 HA ASN 34 HA ASN 34 -1.043 13.135 -9.850 270 1HB ASN 34 2HB ASN 34 -2.195 11.761 -7.366 271 2HB ASN 34 1HB ASN 34 -3.047 13.064 -8.176 272 1HD2 ASN 34 2HD2 ASN 34 -4.339 10.717 -10.391 273 2HD2 ASN 34 1HD2 ASN 34 -4.634 12.134 -9.500 274 H LYS 35 H LYS 35 -0.972 13.333 -6.269 275 HA LYS 35 HA LYS 35 0.621 15.857 -6.500 276 1HB LYS 35 2HB LYS 35 -2.104 15.511 -5.227 277 2HB LYS 35 1HB LYS 35 -1.088 16.847 -4.768 278 1HG LYS 35 2HG LYS 35 -0.982 17.690 -7.093 279 2HG LYS 35 1HG LYS 35 -1.877 16.317 -7.686 280 1HD LYS 35 2HD LYS 35 -2.974 18.235 -5.560 281 2HD LYS 35 1HD LYS 35 -3.277 18.460 -7.273 282 1HE LYS 35 2HE LYS 35 -4.700 16.657 -7.417 283 2HE LYS 35 1HE LYS 35 -3.864 15.708 -6.208 284 1HZ LYS 35 1HZ LYS 35 -4.967 18.103 -5.005 285 2HZ LYS 35 3HZ LYS 35 -6.167 17.139 -5.764 286 3HZ LYS 35 2HZ LYS 35 -5.127 16.453 -4.662 287 H VAL 36 H VAL 36 0.892 16.801 -4.142 288 HA VAL 36 HA VAL 36 2.410 16.580 -2.293 289 HB VAL 36 HB VAL 36 0.284 14.520 -1.613 290 1HG1 VAL 36 1HG1 VAL 36 1.999 16.323 0.183 291 2HG1 VAL 36 3HG1 VAL 36 0.725 15.255 0.737 292 3HG1 VAL 36 2HG1 VAL 36 2.176 14.589 0.031 293 1HG2 VAL 36 3HG2 VAL 36 0.335 17.562 -1.176 294 2HG2 VAL 36 2HG2 VAL 36 -0.719 16.724 -2.310 295 3HG2 VAL 36 1HG2 VAL 36 -0.908 16.475 -0.586 296 HA PRO 37 HA PRO 37 4.828 12.783 -3.445 297 1HB PRO 37 2HB PRO 37 7.052 14.097 -4.347 298 2HB PRO 37 1HB PRO 37 5.629 13.818 -5.366 299 1HG PRO 37 2HG PRO 37 6.216 16.290 -3.620 300 2HG PRO 37 1HG PRO 37 6.000 16.275 -5.378 301 1HD PRO 37 2HD PRO 37 3.887 16.785 -3.811 302 2HD PRO 37 1HD PRO 37 3.657 15.657 -5.172 303 HA PRO 38 HA PRO 38 7.084 12.138 -3.729 304 1HB PRO 38 2HB PRO 38 9.368 11.037 -3.002 305 2HB PRO 38 1HB PRO 38 9.286 12.798 -3.153 306 1HG PRO 38 2HG PRO 38 9.024 11.125 -0.588 307 2HG PRO 38 1HG PRO 38 10.039 12.544 -0.846 308 1HD PRO 38 2HD PRO 38 7.414 12.607 0.269 309 2HD PRO 38 1HD PRO 38 8.219 14.021 -0.434 310 H HIS 39 HN HIP 39 6.016 10.306 -4.224 311 HA HIS 39 HA HIP 39 5.351 8.491 -1.957 312 1HB HIS 39 2HB HIP 39 4.178 8.598 -4.752 313 2HB HIS 39 1HB HIP 39 3.578 7.539 -3.505 314 HD2 HIS 39 HD2 HIP 39 3.098 10.955 -4.980 315 HE1 HIS 39 HE1 HIP 39 0.951 11.057 -1.455 316 HE2 HIS 39 HE2 HIP 39 1.433 12.151 -3.577 317 H ASN 40 H ASN 40 7.640 7.690 -2.077 318 HA ASN 40 HA ASN 40 8.177 5.595 -4.060 319 1HB ASN 40 2HB ASN 40 9.592 6.647 -1.559 320 2HB ASN 40 1HB ASN 40 10.230 5.300 -2.483 321 1HD2 ASN 40 2HD2 ASN 40 11.908 7.503 -4.471 322 2HD2 ASN 40 1HD2 ASN 40 11.935 6.115 -3.513 323 H VAL 41 H VAL 41 5.982 4.568 -3.358 324 HA VAL 41 HA VAL 41 5.826 3.260 -0.838 325 HB VAL 41 HB VAL 41 4.452 1.466 -1.902 326 1HG1 VAL 41 3HG1 VAL 41 3.663 4.361 -2.477 327 2HG1 VAL 41 2HG1 VAL 41 2.538 3.004 -2.482 328 3HG1 VAL 41 1HG1 VAL 41 3.370 3.430 -1.004 329 1HG2 VAL 41 2HG2 VAL 41 4.841 3.135 -4.451 330 2HG2 VAL 41 1HG2 VAL 41 5.340 1.473 -4.179 331 3HG2 VAL 41 3HG2 VAL 41 3.643 1.865 -4.269 332 H VAL 42 H VAL 42 6.663 1.766 0.094 333 HA VAL 42 HA VAL 42 8.652 0.051 -1.231 334 HB VAL 42 HB VAL 42 8.014 0.620 1.700 335 1HG1 VAL 42 2HG1 VAL 42 9.300 -1.522 1.390 336 2HG1 VAL 42 1HG1 VAL 42 10.527 -0.633 0.481 337 3HG1 VAL 42 3HG1 VAL 42 10.255 -0.282 2.170 338 1HG2 VAL 42 1HG2 VAL 42 10.198 1.823 -0.076 339 2HG2 VAL 42 3HG2 VAL 42 8.789 2.655 0.543 340 3HG2 VAL 42 2HG2 VAL 42 10.019 2.104 1.648 341 H PHE 43 H PHE 43 8.468 -2.269 -0.811 342 HA PHE 43 HA PHE 43 5.645 -3.171 -0.509 343 1HB PHE 43 2HB PHE 43 7.921 -4.042 -2.209 344 2HB PHE 43 1HB PHE 43 6.864 -5.318 -1.622 345 HD1 PHE 43 HD1 PHE 43 6.499 -1.796 -2.933 346 HD2 PHE 43 HD2 PHE 43 5.044 -5.789 -2.962 347 HE1 PHE 43 HE1 PHE 43 4.795 -1.153 -4.569 348 HE2 PHE 43 HE2 PHE 43 3.329 -5.150 -4.593 349 HZ PHE 43 HZ PHE 43 3.199 -2.826 -5.396 350 H ASP 44 H ASP 44 5.283 -5.247 0.528 351 HA ASP 44 HA ASP 44 6.913 -5.441 2.974 352 1HB ASP 44 2HB ASP 44 4.804 -6.214 3.954 353 2HB ASP 44 1HB ASP 44 4.506 -4.811 2.952 354 H ALA 45 H ALA 45 7.145 -7.060 4.122 355 HA ALA 45 HA ALA 45 7.823 -9.680 2.943 356 1HB ALA 45 1HB ALA 45 9.753 -8.362 3.607 357 2HB ALA 45 3HB ALA 45 9.158 -8.183 5.250 358 3HB ALA 45 2HB ALA 45 9.635 -9.761 4.643 359 H ALA 46 H ALA 46 7.196 -8.277 6.093 360 HA ALA 46 HA ALA 46 6.295 -10.500 7.548 361 1HB ALA 46 2HB ALA 46 5.567 -7.519 7.824 362 2HB ALA 46 1HB ALA 46 5.369 -8.704 9.100 363 3HB ALA 46 3HB ALA 46 6.973 -8.291 8.541 364 H LEU 47 H LEU 47 4.349 -8.360 5.606 365 HA LEU 47 HA LEU 47 1.966 -10.117 6.081 366 1HB LEU 47 2HB LEU 47 2.127 -7.240 5.109 367 2HB LEU 47 1HB LEU 47 0.651 -8.107 5.429 368 HG LEU 47 HG LEU 47 2.791 -7.496 7.543 369 1HD1 LEU 47 2HD1 LEU 47 0.048 -6.276 7.030 370 2HD1 LEU 47 1HD1 LEU 47 1.115 -5.865 8.362 371 3HD1 LEU 47 3HD1 LEU 47 1.583 -5.486 6.712 372 1HD2 LEU 47 1HD2 LEU 47 -0.061 -8.578 7.773 373 2HD2 LEU 47 3HD2 LEU 47 1.386 -9.539 8.029 374 3HD2 LEU 47 2HD2 LEU 47 1.006 -8.226 9.119 375 H ASN 48 H ASN 48 4.077 -10.545 4.150 376 HA ASN 48 HA ASN 48 2.481 -10.566 1.634 377 1HB ASN 48 2HB ASN 48 4.415 -9.491 0.967 378 2HB ASN 48 1HB ASN 48 5.310 -10.047 2.335 379 1HD2 ASN 48 2HD2 ASN 48 7.277 -11.418 -0.200 380 2HD2 ASN 48 1HD2 ASN 48 6.907 -9.962 0.621 381 HA PRO 49 HA PRO 49 1.485 -14.754 1.690 382 1HB PRO 49 2HB PRO 49 2.174 -15.547 -0.907 383 2HB PRO 49 1HB PRO 49 0.685 -14.696 -0.483 384 1HG PRO 49 2HG PRO 49 3.389 -13.527 -1.370 385 2HG PRO 49 1HG PRO 49 1.806 -13.153 -2.047 386 1HD PRO 49 2HD PRO 49 2.738 -11.452 -0.283 387 2HD PRO 49 1HD PRO 49 1.099 -12.064 0.028 388 H ALA 50 H ALA 50 4.603 -14.431 0.188 389 HA ALA 50 HA ALA 50 5.488 -16.990 1.492 390 1HB ALA 50 1HB ALA 50 5.419 -17.008 -0.957 391 2HB ALA 50 3HB ALA 50 6.452 -15.590 -1.025 392 3HB ALA 50 2HB ALA 50 7.093 -17.107 -0.415 393 H LYS 51 H LYS 51 5.540 -14.525 2.882 394 HA LYS 51 HA LYS 51 7.147 -12.850 3.744 395 1HB LYS 51 2HB LYS 51 7.773 -15.534 5.053 396 2HB LYS 51 1HB LYS 51 7.873 -13.974 5.829 397 1HG LYS 51 2HG LYS 51 5.327 -15.398 4.879 398 2HG LYS 51 1HG LYS 51 5.796 -15.117 6.545 399 1HD LYS 51 2HD LYS 51 5.654 -12.624 6.163 400 2HD LYS 51 1HD LYS 51 5.303 -12.892 4.488 401 1HE LYS 51 2HE LYS 51 3.230 -12.385 5.377 402 2HE LYS 51 1HE LYS 51 3.220 -14.133 5.169 403 1HZ LYS 51 2HZ LYS 51 4.458 -13.597 7.613 404 2HZ LYS 51 1HZ LYS 51 3.119 -12.597 7.567 405 3HZ LYS 51 3HZ LYS 51 2.920 -14.302 7.426 406 H SER 52 H SER 52 8.395 -12.865 1.628 407 HA SER 52 HA SER 52 11.228 -13.697 2.094 408 1HB SER 52 2HB SER 52 11.394 -14.002 -0.270 409 2HB SER 52 1HB SER 52 9.785 -14.554 0.135 410 HG SER 52 HG SER 52 10.452 -12.678 -1.495 411 H ALA 53 H ALA 53 12.719 -12.305 0.586 412 HA ALA 53 HA ALA 53 12.366 -9.388 1.317 413 1HB ALA 53 1HB ALA 53 14.925 -11.092 1.176 414 2HB ALA 53 3HB ALA 53 14.879 -9.388 1.612 415 3HB ALA 53 2HB ALA 53 14.133 -10.587 2.658 416 H ASP 54 H ASP 54 14.052 -11.536 -0.744 417 HA ASP 54 HA ASP 54 15.066 -10.322 -2.872 418 1HB ASP 54 2HB ASP 54 13.982 -12.576 -3.998 419 2HB ASP 54 1HB ASP 54 15.132 -12.730 -2.681 420 H LEU 55 H LEU 55 11.798 -11.441 -3.397 421 HA LEU 55 HA LEU 55 11.267 -9.557 -5.522 422 1HB LEU 55 2HB LEU 55 10.089 -11.884 -4.903 423 2HB LEU 55 1HB LEU 55 9.008 -10.884 -3.962 424 HG LEU 55 HG LEU 55 9.546 -10.736 -6.975 425 1HD1 LEU 55 3HD1 LEU 55 7.009 -11.243 -5.387 426 2HD1 LEU 55 2HD1 LEU 55 7.148 -11.167 -7.141 427 3HD1 LEU 55 1HD1 LEU 55 7.962 -12.437 -6.269 428 1HD2 LEU 55 1HD2 LEU 55 7.802 -8.834 -5.329 429 2HD2 LEU 55 3HD2 LEU 55 9.280 -8.391 -6.171 430 3HD2 LEU 55 2HD2 LEU 55 7.896 -8.912 -7.083 431 H ALA 56 H ALA 56 10.080 -9.743 -2.153 432 HA ALA 56 HA ALA 56 8.533 -7.504 -1.829 433 1HB ALA 56 1HB ALA 56 9.280 -9.018 0.036 434 2HB ALA 56 3HB ALA 56 10.874 -8.305 -0.007 435 3HB ALA 56 2HB ALA 56 9.499 -7.344 0.491 436 H LYS 57 H LYS 57 12.095 -7.228 -1.802 437 HA LYS 57 HA LYS 57 11.852 -4.311 -2.018 438 1HB LYS 57 2HB LYS 57 13.885 -5.803 -1.008 439 2HB LYS 57 1HB LYS 57 14.518 -5.670 -2.629 440 1HG LYS 57 2HG LYS 57 13.490 -3.102 -1.331 441 2HG LYS 57 1HG LYS 57 14.903 -3.803 -0.629 442 1HD LYS 57 2HD LYS 57 15.712 -2.125 -2.129 443 2HD LYS 57 1HD LYS 57 16.118 -3.664 -2.815 444 1HE LYS 57 2HE LYS 57 15.471 -1.956 -4.502 445 2HE LYS 57 1HE LYS 57 14.477 -3.392 -4.591 446 1HZ LYS 57 2HZ LYS 57 13.165 -1.712 -2.780 447 2HZ LYS 57 1HZ LYS 57 13.511 -0.686 -4.057 448 3HZ LYS 57 3HZ LYS 57 12.718 -2.100 -4.310 449 H SER 58 H SER 58 12.743 -6.949 -4.242 450 HA SER 58 HA SER 58 13.441 -5.492 -6.556 451 1HB SER 58 2HB SER 58 13.306 -8.019 -6.492 452 2HB SER 58 1HB SER 58 11.542 -7.866 -6.546 453 HG SER 58 HG SER 58 12.286 -6.248 -8.441 454 H LEU 59 H LEU 59 10.337 -5.978 -5.185 455 HA LEU 59 HA LEU 59 8.852 -4.540 -7.274 456 1HB LEU 59 2HB LEU 59 8.122 -6.575 -5.667 457 2HB LEU 59 1HB LEU 59 7.622 -5.284 -4.610 458 HG LEU 59 HG LEU 59 5.676 -5.774 -5.886 459 1HD1 LEU 59 3HD1 LEU 59 6.184 -3.323 -5.936 460 2HD1 LEU 59 2HD1 LEU 59 6.994 -3.523 -7.465 461 3HD1 LEU 59 1HD1 LEU 59 5.282 -3.846 -7.347 462 1HD2 LEU 59 2HD2 LEU 59 7.450 -5.810 -8.365 463 2HD2 LEU 59 1HD2 LEU 59 6.756 -7.216 -7.578 464 3HD2 LEU 59 3HD2 LEU 59 5.714 -6.050 -8.361 465 H SER 60 H SER 60 9.530 -4.007 -3.709 466 HA SER 60 HA SER 60 8.437 -1.420 -3.470 467 1HB SER 60 2HB SER 60 10.138 -1.129 -1.540 468 2HB SER 60 1HB SER 60 9.779 -2.877 -1.606 469 HG SER 60 HG SER 60 11.364 -2.744 -3.397 470 H HIS 61 H HIS 61 8.954 0.639 -3.983 471 HA HIS 61 HA HIS 61 10.465 1.102 -6.304 472 1HB HIS 61 2HB HIS 61 9.491 2.925 -4.070 473 2HB HIS 61 1HB HIS 61 10.284 3.599 -5.488 474 HD1 HIS 61 HD1 HIS 61 7.358 1.483 -4.661 475 HD2 HIS 61 HD2 HIS 61 8.714 3.768 -7.712 476 HE1 HIS 61 HE1 HIS 61 5.504 1.574 -6.369 477 H LYS 62 H LYS 62 11.970 2.900 -6.484 478 HA LYS 62 HA LYS 62 14.346 2.970 -4.746 479 1HB LYS 62 2HB LYS 62 14.421 1.096 -6.801 480 2HB LYS 62 1HB LYS 62 14.888 2.516 -7.699 481 1HG LYS 62 2HG LYS 62 16.399 1.339 -5.307 482 2HG LYS 62 1HG LYS 62 16.980 1.473 -6.960 483 1HD LYS 62 2HD LYS 62 16.703 4.022 -6.755 484 2HD LYS 62 1HD LYS 62 16.326 3.766 -5.056 485 1HE LYS 62 2HE LYS 62 18.552 2.844 -4.661 486 2HE LYS 62 1HE LYS 62 18.984 3.252 -6.332 487 1HZ LYS 62 1HZ LYS 62 17.519 5.402 -5.220 488 2HZ LYS 62 3HZ LYS 62 18.745 5.041 -4.116 489 3HZ LYS 62 2HZ LYS 62 19.138 5.451 -5.716 490 H GLN 63 H GLN 63 12.819 3.863 -7.643 491 HA GLN 63 HA GLN 63 14.215 6.376 -7.953 492 1HB GLN 63 2HB GLN 63 12.934 6.595 -10.039 493 2HB GLN 63 1HB GLN 63 13.274 4.893 -9.884 494 1HG GLN 63 2HG GLN 63 10.576 6.067 -8.923 495 2HG GLN 63 1HG GLN 63 10.812 5.515 -10.557 496 1HE2 GLN 63 2HE2 GLN 63 9.687 2.394 -9.478 497 2HE2 GLN 63 1HE2 GLN 63 9.454 3.625 -10.618 498 H LEU 64 H LEU 64 12.688 8.498 -8.085 499 HA LEU 64 HA LEU 64 10.885 8.372 -5.718 500 1HB LEU 64 2HB LEU 64 12.257 10.759 -6.989 501 2HB LEU 64 1HB LEU 64 11.256 10.825 -5.560 502 HG LEU 64 HG LEU 64 12.945 9.099 -4.556 503 1HD1 LEU 64 3HD1 LEU 64 14.633 10.335 -6.768 504 2HD1 LEU 64 2HD1 LEU 64 15.239 9.378 -5.434 505 3HD1 LEU 64 1HD1 LEU 64 14.236 8.628 -6.648 506 1HD2 LEU 64 3HD2 LEU 64 13.736 11.987 -5.164 507 2HD2 LEU 64 2HD2 LEU 64 12.694 11.482 -3.849 508 3HD2 LEU 64 1HD2 LEU 64 14.384 11.022 -3.852 509 H LEU 65 H LEU 65 8.847 9.035 -5.609 510 HA LEU 65 HA LEU 65 7.468 9.607 -8.223 511 1HB LEU 65 2HB LEU 65 6.577 8.721 -5.455 512 2HB LEU 65 1HB LEU 65 5.404 9.219 -6.645 513 HG LEU 65 HG LEU 65 5.629 6.752 -6.533 514 1HD1 LEU 65 3HD1 LEU 65 5.023 7.828 -8.703 515 2HD1 LEU 65 2HD1 LEU 65 6.724 7.885 -9.141 516 3HD1 LEU 65 1HD1 LEU 65 5.926 6.345 -8.877 517 1HD2 LEU 65 3HD2 LEU 65 8.043 6.654 -5.935 518 2HD2 LEU 65 2HD2 LEU 65 7.630 5.661 -7.318 519 3HD2 LEU 65 1HD2 LEU 65 8.457 7.181 -7.561 520 H MET 66 H MET 66 8.147 11.613 -8.494 521 HA MET 66 HA MET 66 7.339 13.746 -6.549 522 1HB MET 66 2HB MET 66 9.535 13.845 -8.599 523 2HB MET 66 1HB MET 66 9.156 15.091 -7.433 524 1HG MET 66 2HG MET 66 9.597 13.489 -5.583 525 2HG MET 66 1HG MET 66 10.007 12.257 -6.744 526 1HE MET 66 1HE MET 66 11.592 12.429 -8.444 527 2HE MET 66 3HE MET 66 12.319 13.983 -8.842 528 3HE MET 66 2HE MET 66 13.253 12.739 -7.997 529 H SER 67 H SER 67 6.968 13.003 -9.942 530 HA SER 67 HA SER 67 5.676 15.672 -10.418 531 1HB SER 67 2HB SER 67 5.979 15.077 -12.872 532 2HB SER 67 1HB SER 67 7.449 15.332 -11.931 533 HG SER 67 HG SER 67 6.628 12.742 -11.656 534 HA PRO 68 HA PRO 68 1.278 14.495 -10.819 535 1HB PRO 68 2HB PRO 68 1.818 17.165 -11.969 536 2HB PRO 68 1HB PRO 68 0.704 16.694 -10.688 537 1HG PRO 68 2HG PRO 68 3.562 17.602 -10.434 538 2HG PRO 68 1HG PRO 68 2.291 17.630 -9.211 539 1HD PRO 68 2HD PRO 68 4.271 15.838 -8.937 540 2HD PRO 68 1HD PRO 68 2.602 15.285 -8.680 541 H GLY 69 H GLY 69 1.485 12.861 -12.217 542 1HA GLY 69 2HA GLY 69 0.528 12.593 -14.667 543 2HA GLY 69 1HA GLY 69 1.982 13.457 -15.145 544 H GLN 70 H GLN 70 3.637 12.200 -13.261 545 HA GLN 70 HA GLN 70 4.900 10.189 -14.637 546 1HB GLN 70 2HB GLN 70 5.733 11.545 -12.834 547 2HB GLN 70 1HB GLN 70 4.652 10.810 -11.684 548 1HG GLN 70 2HG GLN 70 5.896 8.655 -11.844 549 2HG GLN 70 1HG GLN 70 6.952 9.344 -13.070 550 1HE2 GLN 70 2HE2 GLN 70 8.899 9.649 -10.081 551 2HE2 GLN 70 1HE2 GLN 70 8.451 8.509 -11.260 552 H SER 71 H SER 71 3.191 8.846 -15.509 553 HA SER 71 HA SER 71 1.753 6.878 -13.888 554 1HB SER 71 2HB SER 71 1.027 6.062 -16.160 555 2HB SER 71 1HB SER 71 0.862 7.822 -16.032 556 HG SER 71 HG SER 71 2.902 6.283 -17.225 557 H THR 72 H THR 72 3.851 6.253 -12.905 558 HA THR 72 HA THR 72 5.486 4.292 -14.471 559 HB THR 72 HB THR 72 6.757 5.818 -13.078 560 HG1 THR 72 HG1 THR 72 6.544 3.320 -11.752 561 1HG2 THR 72 3HG2 THR 72 5.053 6.192 -11.195 562 2HG2 THR 72 2HG2 THR 72 5.395 4.568 -10.638 563 3HG2 THR 72 1HG2 THR 72 6.674 5.747 -10.682 564 H SER 73 H SER 73 3.978 2.679 -14.816 565 HA SER 73 HA SER 73 2.906 1.147 -12.499 566 1HB SER 73 2HB SER 73 1.691 -0.168 -14.249 567 2HB SER 73 1HB SER 73 1.492 1.568 -14.553 568 HG SER 73 HG SER 73 3.852 0.524 -15.609 569 H THR 74 H THR 74 2.928 -1.125 -12.405 570 HA THR 74 HA THR 74 5.356 -2.497 -13.497 571 HB THR 74 HB THR 74 4.824 -2.125 -10.499 572 HG1 THR 74 HG1 THR 74 6.189 -0.856 -12.416 573 1HG2 THR 74 1HG2 THR 74 7.167 -3.515 -11.907 574 2HG2 THR 74 3HG2 THR 74 6.914 -3.309 -10.193 575 3HG2 THR 74 2HG2 THR 74 5.918 -4.447 -11.076 576 H THR 75 H THR 75 5.378 -4.764 -13.354 577 HA THR 75 HA THR 75 2.655 -6.029 -12.962 578 HB THR 75 HB THR 75 4.030 -5.972 -15.326 579 HG1 THR 75 HG1 THR 75 2.427 -8.150 -14.402 580 1HG2 THR 75 3HG2 THR 75 5.668 -7.818 -14.455 581 2HG2 THR 75 2HG2 THR 75 4.248 -8.818 -14.186 582 3HG2 THR 75 1HG2 THR 75 4.639 -8.276 -15.801 583 H PHE 76 H PHE 76 2.784 -8.363 -12.327 584 HA PHE 76 HA PHE 76 4.994 -8.834 -10.326 585 1HB PHE 76 2HB PHE 76 2.058 -9.583 -10.389 586 2HB PHE 76 1HB PHE 76 3.176 -10.345 -9.251 587 HD1 PHE 76 HD1 PHE 76 2.054 -7.014 -10.522 588 HD2 PHE 76 HD2 PHE 76 3.891 -9.133 -7.331 589 HE1 PHE 76 HE1 PHE 76 2.098 -4.965 -9.198 590 HE2 PHE 76 HE2 PHE 76 3.925 -7.081 -5.984 591 HZ PHE 76 HZ PHE 76 3.031 -4.976 -6.928 592 HA PRO 77 HA PRO 77 5.655 -10.512 -14.383 593 1HB PRO 77 2HB PRO 77 8.016 -12.087 -13.631 594 2HB PRO 77 1HB PRO 77 7.952 -10.555 -14.492 595 1HG PRO 77 2HG PRO 77 8.185 -11.076 -11.495 596 2HG PRO 77 1HG PRO 77 8.942 -9.798 -12.431 597 1HD PRO 77 2HD PRO 77 6.872 -9.226 -10.903 598 2HD PRO 77 1HD PRO 77 6.821 -8.577 -12.562 599 H ALA 78 H ALA 78 6.776 -13.363 -12.732 600 HA ALA 78 HA ALA 78 4.387 -14.912 -13.643 601 1HB ALA 78 2HB ALA 78 7.230 -15.474 -14.598 602 2HB ALA 78 1HB ALA 78 5.834 -16.490 -14.962 603 3HB ALA 78 3HB ALA 78 5.911 -14.846 -15.587 604 H ASP 79 H ASP 79 6.864 -14.524 -11.646 605 HA ASP 79 HA ASP 79 7.068 -17.063 -10.255 606 1HB ASP 79 2HB ASP 79 8.801 -15.530 -8.998 607 2HB ASP 79 1HB ASP 79 9.060 -15.652 -10.731 608 H ALA 80 H ALA 80 6.123 -13.862 -9.318 609 HA ALA 80 HA ALA 80 5.240 -13.382 -7.014 610 1HB ALA 80 1HB ALA 80 3.231 -13.701 -9.247 611 2HB ALA 80 3HB ALA 80 2.960 -12.728 -7.805 612 3HB ALA 80 2HB ALA 80 4.253 -12.306 -8.937 613 HA PRO 81 HA PRO 81 3.891 -17.756 -5.818 614 1HB PRO 81 2HB PRO 81 5.188 -17.819 -3.382 615 2HB PRO 81 1HB PRO 81 6.056 -18.062 -4.909 616 1HG PRO 81 2HG PRO 81 5.539 -15.353 -3.508 617 2HG PRO 81 1HG PRO 81 7.143 -16.052 -3.792 618 1HD PRO 81 2HD PRO 81 6.231 -14.364 -5.574 619 2HD PRO 81 1HD PRO 81 6.763 -15.915 -6.262 620 H ALA 82 H ALA 82 1.936 -16.518 -5.898 621 HA ALA 82 HA ALA 82 -0.269 -16.343 -5.131 622 1HB ALA 82 2HB ALA 82 0.365 -17.820 -3.089 623 2HB ALA 82 1HB ALA 82 0.954 -16.393 -2.266 624 3HB ALA 82 3HB ALA 82 -0.750 -16.541 -2.648 625 H GLY 83 H GLY 83 -1.272 -14.029 -4.695 626 1HA GLY 83 2HA GLY 83 1.022 -12.062 -4.485 627 2HA GLY 83 1HA GLY 83 -0.451 -11.808 -5.277 628 H GLU 84 H GLU 84 -0.294 -12.609 -1.863 629 HA GLU 84 HA GLU 84 -1.845 -10.129 -1.434 630 1HB GLU 84 2HB GLU 84 -2.527 -12.131 -0.302 631 2HB GLU 84 1HB GLU 84 -0.931 -12.464 0.329 632 1HG GLU 84 2HG GLU 84 -2.461 -11.599 2.086 633 2HG GLU 84 1HG GLU 84 -1.143 -10.494 1.886 634 H TYR 85 H TYR 85 -0.216 -8.549 -2.116 635 HA TYR 85 HA TYR 85 1.977 -8.072 -0.083 636 1HB TYR 85 2HB TYR 85 1.881 -6.767 -2.817 637 2HB TYR 85 1HB TYR 85 3.249 -6.999 -1.748 638 HD1 TYR 85 HD1 TYR 85 3.700 -9.633 -1.185 639 HD2 TYR 85 HD2 TYR 85 1.796 -8.148 -4.675 640 HE1 TYR 85 HE1 TYR 85 4.264 -11.722 -2.427 641 HE2 TYR 85 HE2 TYR 85 2.361 -10.212 -5.868 642 HH TYR 85 HH TYR 85 2.902 -12.834 -4.702 643 H THR 86 H THR 86 1.870 -6.442 1.207 644 HA THR 86 HA THR 86 -0.022 -4.147 0.770 645 HB THR 86 HB THR 86 1.177 -5.160 3.396 646 HG1 THR 86 HG1 THR 86 -1.282 -5.286 3.512 647 1HG2 THR 86 1HG2 THR 86 -1.115 -3.193 2.689 648 2HG2 THR 86 3HG2 THR 86 -0.567 -3.568 4.325 649 3HG2 THR 86 2HG2 THR 86 0.450 -2.641 3.241 650 H PHE 87 H PHE 87 1.267 -2.869 -0.444 651 HA PHE 87 HA PHE 87 3.908 -2.076 0.379 652 1HB PHE 87 2HB PHE 87 3.243 -0.210 -1.542 653 2HB PHE 87 1HB PHE 87 3.974 -1.772 -1.833 654 HD1 PHE 87 HD1 PHE 87 2.412 -3.735 -2.167 655 HD2 PHE 87 HD2 PHE 87 1.150 0.295 -2.446 656 HE1 PHE 87 HE1 PHE 87 0.487 -4.466 -3.416 657 HE2 PHE 87 HE2 PHE 87 -0.812 -0.389 -3.719 658 HZ PHE 87 HZ PHE 87 -1.188 -2.782 -4.229 659 H TYR 88 H TYR 88 4.624 -0.299 1.366 660 HA TYR 88 HA TYR 88 2.645 1.698 2.302 661 1HB TYR 88 2HB TYR 88 4.295 1.863 4.250 662 2HB TYR 88 1HB TYR 88 3.158 0.536 4.106 663 HD1 TYR 88 HD1 TYR 88 6.762 1.436 3.761 664 HD2 TYR 88 HD2 TYR 88 3.880 -1.713 3.655 665 HE1 TYR 88 HE1 TYR 88 8.538 -0.229 3.845 666 HE2 TYR 88 HE2 TYR 88 5.692 -3.340 3.737 667 HH TYR 88 HH TYR 88 8.230 -3.242 3.004 668 H CYS 89 H CYS 89 3.022 3.959 2.250 669 HA CYS 89 HA CYS 89 5.504 4.898 0.858 670 1HB CYS 89 2HB CYS 89 3.271 5.260 -0.212 671 2HB CYS 89 1HB CYS 89 2.780 6.171 1.173 672 H GLU 90 H GLU 90 6.324 4.605 3.195 673 HA GLU 90 HA GLU 90 6.271 5.835 5.450 674 1HB GLU 90 2HB GLU 90 8.786 6.060 3.732 675 2HB GLU 90 1HB GLU 90 8.689 5.947 5.475 676 1HG GLU 90 2HG GLU 90 8.071 3.740 3.435 677 2HG GLU 90 1HG GLU 90 9.135 3.683 4.817 678 HA PRO 91 HA PRO 91 7.881 10.372 4.614 679 1HB PRO 91 2HB PRO 91 7.265 11.286 2.036 680 2HB PRO 91 1HB PRO 91 8.855 10.680 2.509 681 1HG PRO 91 2HG PRO 91 6.522 9.082 1.285 682 2HG PRO 91 1HG PRO 91 8.179 9.159 0.691 683 1HD PRO 91 2HD PRO 91 7.575 7.086 2.222 684 2HD PRO 91 1HD PRO 91 9.020 8.001 2.714 685 H HIS 92 HN HIP 92 5.130 8.940 3.385 686 HA HIS 92 HA HIP 92 3.318 11.107 4.355 687 1HB HIS 92 2HB HIP 92 2.759 8.975 2.258 688 2HB HIS 92 1HB HIP 92 1.759 10.362 2.715 689 HD2 HIS 92 HD2 HIP 92 4.281 12.601 2.636 690 HE1 HIS 92 HE1 HIP 92 4.154 11.588 -1.408 691 HE2 HIS 92 HE2 HIP 92 4.888 13.221 0.240 692 H ARG 93 H ARG 93 3.976 7.694 4.573 693 HA ARG 93 HA ARG 93 1.928 6.271 5.506 694 1HB ARG 93 2HB ARG 93 4.240 5.525 5.923 695 2HB ARG 93 1HB ARG 93 4.451 6.695 7.213 696 1HG ARG 93 2HG ARG 93 2.604 5.571 8.525 697 2HG ARG 93 1HG ARG 93 2.263 4.520 7.178 698 1HD ARG 93 2HD ARG 93 4.835 4.554 8.831 699 2HD ARG 93 1HD ARG 93 3.571 3.344 8.991 700 HE ARG 93 HE ARG 93 5.361 3.697 6.561 701 1HH1 ARG 93 2HH1 ARG 93 2.564 2.598 6.751 702 2HH1 ARG 93 1HH1 ARG 93 2.890 0.935 6.324 703 1HH2 ARG 93 1HH2 ARG 93 6.228 1.695 6.789 704 2HH2 ARG 93 2HH2 ARG 93 5.237 0.374 6.314 705 H GLY 94 H GLY 94 3.119 8.794 7.586 706 1HA GLY 94 2HA GLY 94 1.671 8.754 9.920 707 2HA GLY 94 1HA GLY 94 1.848 10.273 9.058 708 H ALA 95 H ALA 95 0.244 9.594 6.887 709 HA ALA 95 HA ALA 95 -2.493 9.692 8.142 710 1HB ALA 95 1HB ALA 95 -1.441 10.825 5.500 711 2HB ALA 95 3HB ALA 95 -3.081 11.028 6.094 712 3HB ALA 95 2HB ALA 95 -1.735 11.750 6.965 713 H GLY 96 H GLY 96 -1.301 7.249 7.674 714 1HA GLY 96 2HA GLY 96 -2.281 5.108 7.110 715 2HA GLY 96 1HA GLY 96 -3.350 5.904 5.973 716 H MET 97 H MET 97 -1.978 7.021 4.286 717 HA MET 97 HA MET 97 -1.299 6.194 2.091 718 1HB MET 97 2HB MET 97 0.447 7.621 3.926 719 2HB MET 97 1HB MET 97 1.454 6.688 2.845 720 1HG MET 97 2HG MET 97 -0.850 8.145 1.625 721 2HG MET 97 1HG MET 97 0.407 9.153 2.165 722 1HE MET 97 1HE MET 97 -1.138 6.980 -0.325 723 2HE MET 97 3HE MET 97 -0.866 8.568 -1.080 724 3HE MET 97 2HE MET 97 -0.112 7.119 -1.726 725 H VAL 98 H VAL 98 -1.811 3.893 3.002 726 HA VAL 98 HA VAL 98 0.438 2.048 2.250 727 HB VAL 98 HB VAL 98 -0.256 1.917 4.535 728 1HG1 VAL 98 1HG1 VAL 98 -2.949 1.001 3.439 729 2HG1 VAL 98 3HG1 VAL 98 -2.461 0.929 5.122 730 3HG1 VAL 98 2HG1 VAL 98 -2.649 2.479 4.334 731 1HG2 VAL 98 3HG2 VAL 98 0.615 -0.119 3.341 732 2HG2 VAL 98 2HG2 VAL 98 -0.577 -0.567 4.553 733 3HG2 VAL 98 1HG2 VAL 98 -1.020 -0.529 2.860 734 H GLY 99 H GLY 99 -0.045 0.412 0.738 735 1HA GLY 99 2HA GLY 99 -2.702 0.308 -0.661 736 2HA GLY 99 1HA GLY 99 -1.186 0.264 -1.533 737 H LYS 100 H LYS 100 -3.229 -1.631 -1.607 738 HA LYS 100 HA LYS 100 -1.758 -4.089 -0.754 739 1HB LYS 100 2HB LYS 100 -3.483 -3.716 0.916 740 2HB LYS 100 1HB LYS 100 -4.682 -3.401 -0.301 741 1HG LYS 100 2HG LYS 100 -5.320 -5.565 0.289 742 2HG LYS 100 1HG LYS 100 -4.254 -5.980 -1.010 743 1HD LYS 100 2HD LYS 100 -3.410 -5.959 1.939 744 2HD LYS 100 1HD LYS 100 -4.026 -7.347 1.095 745 1HE LYS 100 2HE LYS 100 -2.102 -7.249 -0.484 746 2HE LYS 100 1HE LYS 100 -1.521 -5.834 0.405 747 1HZ LYS 100 3HZ LYS 100 -2.128 -7.897 2.222 748 2HZ LYS 100 2HZ LYS 100 -1.122 -8.571 1.127 749 3HZ LYS 100 1HZ LYS 100 -0.616 -7.182 1.979 750 H ILE 101 H ILE 101 -1.130 -5.021 -2.619 751 HA ILE 101 HA ILE 101 -3.169 -5.366 -4.797 752 HB ILE 101 HB ILE 101 -0.516 -4.520 -5.324 753 1HG1 ILE 101 2HG1 ILE 101 -2.476 -6.212 -6.912 754 2HG1 ILE 101 1HG1 ILE 101 -2.103 -4.515 -7.080 755 1HG2 ILE 101 1HG2 ILE 101 0.400 -6.733 -4.464 756 2HG2 ILE 101 3HG2 ILE 101 -0.498 -7.549 -5.739 757 3HG2 ILE 101 2HG2 ILE 101 0.795 -6.447 -6.153 758 1HD1 ILE 101 3HD1 ILE 101 0.164 -5.083 -8.069 759 2HD1 ILE 101 2HD1 ILE 101 -0.207 -6.783 -7.947 760 3HD1 ILE 101 1HD1 ILE 101 -1.117 -5.789 -9.018 761 H THR 102 H THR 102 -4.008 -7.258 -4.773 762 HA THR 102 HA THR 102 -2.837 -9.568 -3.247 763 HB THR 102 HB THR 102 -5.772 -9.139 -3.821 764 HG1 THR 102 HG1 THR 102 -4.427 -8.825 -1.359 765 1HG2 THR 102 3HG2 THR 102 -4.232 -10.757 -1.714 766 2HG2 THR 102 2HG2 THR 102 -5.967 -10.695 -1.906 767 3HG2 THR 102 1HG2 THR 102 -4.978 -11.495 -3.121 768 H VAL 103 H VAL 103 -1.653 -10.500 -5.218 769 HA VAL 103 HA VAL 103 -3.239 -10.831 -7.652 770 HB VAL 103 HB VAL 103 -0.773 -12.538 -7.047 771 1HG1 VAL 103 2HG1 VAL 103 -1.915 -12.846 -9.126 772 2HG1 VAL 103 1HG1 VAL 103 -1.677 -11.147 -9.531 773 3HG1 VAL 103 3HG1 VAL 103 -0.288 -12.217 -9.332 774 1HG2 VAL 103 3HG2 VAL 103 -0.714 -9.577 -7.739 775 2HG2 VAL 103 2HG2 VAL 103 -0.087 -10.194 -6.271 776 3HG2 VAL 103 1HG2 VAL 103 0.692 -10.625 -7.773 777 H ALA 104 H ALA 104 -4.789 -12.129 -7.857 778 HA ALA 104 HA ALA 104 -5.183 -14.462 -6.034 779 1HB ALA 104 1HB ALA 104 -7.001 -12.776 -6.335 780 2HB ALA 104 3HB ALA 104 -7.020 -13.090 -8.065 781 3HB ALA 104 2HB ALA 104 -7.531 -14.340 -6.945 782 H GLY 105 HN GLY 105 -3.277 -15.239 -7.199 783 1HA GLY 105 2HA GLY 105 -3.899 -17.534 -8.850 784 2HA GLY 105 1HA GLY 105 -2.888 -16.334 -9.668 No H/Q in entry = 784 Start of MODEL 7 1 1H GLU 1 2H GLU 1 -3.841 -5.678 -14.138 2 2H GLU 1 1H GLU 1 -4.886 -6.316 -15.264 3 3H GLU 1 3H GLU 1 -3.503 -7.155 -14.897 4 HA GLU 1 HA GLU 1 -2.251 -6.068 -16.381 5 1HB GLU 1 2HB GLU 1 -4.996 -4.912 -17.210 6 2HB GLU 1 1HB GLU 1 -3.570 -4.876 -18.216 7 1HG GLU 1 2HG GLU 1 -5.114 -6.852 -18.740 8 2HG GLU 1 1HG GLU 1 -3.506 -7.380 -18.324 9 H THR 2 H THR 2 -1.898 -3.584 -17.414 10 HA THR 2 HA THR 2 -1.042 -1.953 -15.236 11 HB THR 2 HB THR 2 -1.463 -1.133 -18.157 12 HG1 THR 2 HG1 THR 2 0.931 -1.473 -16.845 13 1HG2 THR 2 3HG2 THR 2 0.314 0.068 -15.923 14 2HG2 THR 2 2HG2 THR 2 0.198 0.608 -17.586 15 3HG2 THR 2 1HG2 THR 2 -1.138 0.849 -16.491 16 H TYR 3 H TYR 3 -2.655 -1.668 -13.878 17 HA TYR 3 HA TYR 3 -4.932 0.168 -14.661 18 1HB TYR 3 2HB TYR 3 -4.465 -1.232 -11.971 19 2HB TYR 3 1HB TYR 3 -5.961 -0.515 -12.508 20 HD1 TYR 3 HD2 TYR 3 -5.774 -1.831 -15.434 21 HD2 TYR 3 HD1 TYR 3 -5.450 -3.305 -11.460 22 HE1 TYR 3 HE2 TYR 3 -6.528 -4.066 -16.172 23 HE2 TYR 3 HE1 TYR 3 -6.181 -5.522 -12.228 24 HH TYR 3 HH TYR 3 -7.060 -6.194 -15.538 25 H THR 4 H THR 4 -5.309 2.091 -13.127 26 HA THR 4 HA THR 4 -2.649 3.200 -12.280 27 HB THR 4 HB THR 4 -3.571 4.582 -14.033 28 HG1 THR 4 HG1 THR 4 -2.680 5.801 -12.616 29 1HG2 THR 4 2HG2 THR 4 -6.086 4.121 -13.571 30 2HG2 THR 4 1HG2 THR 4 -5.909 5.100 -12.121 31 3HG2 THR 4 3HG2 THR 4 -5.656 5.819 -13.699 32 H VAL 5 H VAL 5 -2.137 3.434 -10.297 33 HA VAL 5 HA VAL 5 -4.237 3.661 -8.181 34 HB VAL 5 HB VAL 5 -1.232 3.038 -8.029 35 1HG1 VAL 5 1HG1 VAL 5 -3.404 2.959 -5.858 36 2HG1 VAL 5 3HG1 VAL 5 -1.726 2.496 -5.632 37 3HG1 VAL 5 2HG1 VAL 5 -2.139 4.170 -5.949 38 1HG2 VAL 5 2HG2 VAL 5 -3.687 1.262 -7.597 39 2HG2 VAL 5 1HG2 VAL 5 -2.616 1.209 -8.987 40 3HG2 VAL 5 3HG2 VAL 5 -2.013 0.760 -7.405 41 H LYS 6 H LYS 6 -4.772 5.641 -8.285 42 HA LYS 6 HA LYS 6 -3.154 7.989 -8.696 43 1HB LYS 6 2HB LYS 6 -5.971 7.626 -7.558 44 2HB LYS 6 1HB LYS 6 -5.336 9.139 -8.157 45 1HG LYS 6 2HG LYS 6 -5.401 6.627 -9.943 46 2HG LYS 6 1HG LYS 6 -6.797 7.659 -9.822 47 1HD LYS 6 2HD LYS 6 -4.063 8.863 -10.401 48 2HD LYS 6 1HD LYS 6 -4.904 8.046 -11.699 49 1HE LYS 6 2HE LYS 6 -6.674 9.614 -11.687 50 2HE LYS 6 1HE LYS 6 -6.358 10.149 -10.059 51 1HZ LYS 6 2HZ LYS 6 -4.009 10.490 -11.651 52 2HZ LYS 6 1HZ LYS 6 -5.305 11.264 -12.442 53 3HZ LYS 6 3HZ LYS 6 -4.900 11.668 -10.847 54 H LEU 7 H LEU 7 -1.598 7.232 -7.044 55 HA LEU 7 HA LEU 7 -1.421 7.185 -4.373 56 1HB LEU 7 2HB LEU 7 0.395 9.072 -5.916 57 2HB LEU 7 1HB LEU 7 0.818 8.103 -4.534 58 HG LEU 7 HG LEU 7 0.136 7.017 -7.305 59 1HD1 LEU 7 3HD1 LEU 7 2.371 8.175 -7.078 60 2HD1 LEU 7 2HD1 LEU 7 2.776 7.031 -5.803 61 3HD1 LEU 7 1HD1 LEU 7 2.533 6.477 -7.416 62 1HD2 LEU 7 2HD2 LEU 7 -0.460 5.463 -5.418 63 2HD2 LEU 7 1HD2 LEU 7 0.884 4.857 -6.358 64 3HD2 LEU 7 3HD2 LEU 7 1.176 5.613 -4.806 65 H GLY 8 H GLY 8 -3.439 8.433 -3.826 66 1HA GLY 8 2HA GLY 8 -3.837 10.091 -2.000 67 2HA GLY 8 1HA GLY 8 -2.795 11.230 -2.882 68 H SER 9 H SER 9 -5.441 9.140 -3.556 69 HA SER 9 HA SER 9 -6.920 9.565 -5.569 70 1HB SER 9 2HB SER 9 -9.076 10.121 -4.233 71 2HB SER 9 1HB SER 9 -8.137 8.736 -3.722 72 HG SER 9 HG SER 9 -8.473 9.725 -2.011 73 H ASP 10 H ASP 10 -5.512 11.507 -6.188 74 HA ASP 10 HA ASP 10 -5.266 13.764 -6.802 75 1HB ASP 10 2HB ASP 10 -7.339 12.207 -8.326 76 2HB ASP 10 1HB ASP 10 -7.156 13.878 -8.816 77 H LYS 11 H LYS 11 -8.808 13.619 -6.461 78 HA LYS 11 HA LYS 11 -8.675 16.496 -5.503 79 1HB LYS 11 2HB LYS 11 -10.050 15.582 -7.640 80 2HB LYS 11 1HB LYS 11 -11.293 15.328 -6.451 81 1HG LYS 11 2HG LYS 11 -9.848 17.959 -7.140 82 2HG LYS 11 1HG LYS 11 -11.520 17.614 -7.476 83 1HD LYS 11 2HD LYS 11 -10.301 17.880 -4.673 84 2HD LYS 11 1HD LYS 11 -11.194 19.143 -5.482 85 1HE LYS 11 2HE LYS 11 -13.254 18.132 -5.211 86 2HE LYS 11 1HE LYS 11 -12.593 16.503 -5.187 87 1HZ LYS 11 1HZ LYS 11 -11.418 17.935 -3.065 88 2HZ LYS 11 3HZ LYS 11 -13.109 18.114 -2.894 89 3HZ LYS 11 2HZ LYS 11 -12.340 16.582 -3.015 90 H GLY 12 H GLY 12 -8.398 13.842 -4.086 91 1HA GLY 12 2HA GLY 12 -10.547 14.064 -1.978 92 2HA GLY 12 1HA GLY 12 -9.732 12.571 -2.391 93 H LEU 13 H LEU 13 -7.808 12.087 -1.460 94 HA LEU 13 HA LEU 13 -6.482 14.075 0.301 95 1HB LEU 13 2HB LEU 13 -8.380 13.205 1.607 96 2HB LEU 13 1HB LEU 13 -7.897 11.559 1.307 97 HG LEU 13 HG LEU 13 -5.904 11.822 2.765 98 1HD1 LEU 13 2HD1 LEU 13 -6.975 14.679 3.158 99 2HD1 LEU 13 1HD1 LEU 13 -5.584 13.995 3.974 100 3HD1 LEU 13 3HD1 LEU 13 -5.516 14.343 2.258 101 1HD2 LEU 13 2HD2 LEU 13 -8.438 12.979 3.981 102 2HD2 LEU 13 1HD2 LEU 13 -8.090 11.273 3.777 103 3HD2 LEU 13 3HD2 LEU 13 -7.118 12.240 4.868 104 H LEU 14 H LEU 14 -4.662 12.727 1.671 105 HA LEU 14 HA LEU 14 -2.892 11.646 -0.380 106 1HB LEU 14 2HB LEU 14 -2.702 12.153 2.613 107 2HB LEU 14 1HB LEU 14 -1.463 11.204 1.857 108 HG LEU 14 HG LEU 14 -2.215 13.938 0.782 109 1HD1 LEU 14 1HD1 LEU 14 -0.015 13.148 2.772 110 2HD1 LEU 14 3HD1 LEU 14 -0.233 14.748 2.085 111 3HD1 LEU 14 2HD1 LEU 14 -1.432 14.094 3.185 112 1HD2 LEU 14 3HD2 LEU 14 0.269 12.121 0.649 113 2HD2 LEU 14 2HD2 LEU 14 -0.853 12.374 -0.676 114 3HD2 LEU 14 1HD2 LEU 14 0.166 13.681 -0.115 115 H VAL 15 H VAL 15 -5.090 9.981 -0.353 116 HA VAL 15 HA VAL 15 -4.148 7.505 1.008 117 HB VAL 15 HB VAL 15 -6.213 8.403 1.838 118 1HG1 VAL 15 2HG1 VAL 15 -7.233 8.112 -1.021 119 2HG1 VAL 15 1HG1 VAL 15 -8.224 8.539 0.343 120 3HG1 VAL 15 3HG1 VAL 15 -6.980 9.635 -0.207 121 1HG2 VAL 15 1HG2 VAL 15 -6.109 5.901 1.750 122 2HG2 VAL 15 3HG2 VAL 15 -7.739 6.502 1.521 123 3HG2 VAL 15 2HG2 VAL 15 -6.835 5.934 0.149 124 H PHE 16 H PHE 16 -4.729 5.576 0.195 125 HA PHE 16 HA PHE 16 -4.234 5.144 -2.732 126 1HB PHE 16 2HB PHE 16 -3.664 3.586 -0.217 127 2HB PHE 16 1HB PHE 16 -3.806 2.711 -1.712 128 HD1 PHE 16 HD1 PHE 16 -2.254 6.045 -2.136 129 HD2 PHE 16 HD2 PHE 16 -1.669 1.984 -1.152 130 HE1 PHE 16 HE1 PHE 16 0.179 6.277 -2.560 131 HE2 PHE 16 HE2 PHE 16 0.737 2.193 -1.524 132 HZ PHE 16 HZ PHE 16 1.670 4.299 -2.231 133 H GLU 17 H GLU 17 -6.554 5.610 -3.135 134 HA GLU 17 HA GLU 17 -8.439 3.448 -2.418 135 1HB GLU 17 2HB GLU 17 -8.731 6.144 -3.773 136 2HB GLU 17 1HB GLU 17 -10.079 5.047 -3.562 137 1HG GLU 17 2HG GLU 17 -9.770 5.072 -1.085 138 2HG GLU 17 1HG GLU 17 -8.333 6.054 -1.247 139 HA PRO 18 HA PRO 18 -9.929 2.154 -2.922 140 1HB PRO 18 2HB PRO 18 -11.067 0.035 -3.959 141 2HB PRO 18 1HB PRO 18 -11.452 1.641 -4.607 142 1HG PRO 18 2HG PRO 18 -9.381 -0.388 -5.665 143 2HG PRO 18 1HG PRO 18 -10.662 0.392 -6.596 144 1HD PRO 18 2HD PRO 18 -8.052 1.397 -6.487 145 2HD PRO 18 1HD PRO 18 -9.456 2.447 -6.740 146 H ALA 19 H ALA 19 -7.794 1.814 -1.885 147 HA ALA 19 HA ALA 19 -5.897 0.520 -1.237 148 1HB ALA 19 1HB ALA 19 -8.393 -0.021 0.398 149 2HB ALA 19 3HB ALA 19 -6.754 -0.212 1.005 150 3HB ALA 19 2HB ALA 19 -7.324 1.368 0.504 151 H LYS 20 H LYS 20 -8.502 -1.734 -1.648 152 HA LYS 20 HA LYS 20 -6.508 -4.006 -1.571 153 1HB LYS 20 2HB LYS 20 -8.387 -5.520 -1.063 154 2HB LYS 20 1HB LYS 20 -8.370 -4.185 0.054 155 1HG LYS 20 2HG LYS 20 -10.352 -3.281 -0.634 156 2HG LYS 20 1HG LYS 20 -10.160 -3.694 -2.310 157 1HD LYS 20 2HD LYS 20 -10.465 -6.104 -0.474 158 2HD LYS 20 1HD LYS 20 -11.825 -5.024 -0.425 159 1HE LYS 20 2HE LYS 20 -12.066 -6.882 -2.130 160 2HE LYS 20 1HE LYS 20 -12.250 -5.261 -2.803 161 1HZ LYS 20 2HZ LYS 20 -9.512 -5.898 -2.725 162 2HZ LYS 20 1HZ LYS 20 -10.186 -7.139 -3.608 163 3HZ LYS 20 3HZ LYS 20 -10.360 -5.542 -4.044 164 H LEU 21 H LEU 21 -5.921 -3.277 -3.821 165 HA LEU 21 HA LEU 21 -7.815 -3.858 -5.984 166 1HB LEU 21 2HB LEU 21 -5.773 -2.329 -6.130 167 2HB LEU 21 1HB LEU 21 -4.782 -3.769 -6.138 168 HG LEU 21 HG LEU 21 -6.566 -2.638 -8.275 169 1HD1 LEU 21 1HD1 LEU 21 -3.850 -3.976 -8.191 170 2HD1 LEU 21 3HD1 LEU 21 -4.612 -3.432 -9.657 171 3HD1 LEU 21 2HD1 LEU 21 -4.182 -2.285 -8.406 172 1HD2 LEU 21 2HD2 LEU 21 -6.063 -5.662 -8.202 173 2HD2 LEU 21 1HD2 LEU 21 -7.616 -4.887 -8.162 174 3HD2 LEU 21 3HD2 LEU 21 -6.623 -4.778 -9.581 175 H THR 22 H THR 22 -8.539 -5.890 -6.259 176 HA THR 22 HA THR 22 -6.839 -8.261 -5.634 177 HB THR 22 HB THR 22 -9.741 -8.229 -6.710 178 HG1 THR 22 HG1 THR 22 -9.292 -9.193 -4.252 179 1HG2 THR 22 3HG2 THR 22 -8.077 -10.382 -5.256 180 2HG2 THR 22 2HG2 THR 22 -9.743 -10.556 -5.813 181 3HG2 THR 22 1HG2 THR 22 -8.437 -10.403 -6.966 182 H ILE 23 H ILE 23 -5.285 -7.796 -7.225 183 HA ILE 23 HA ILE 23 -5.955 -7.846 -10.047 184 HB ILE 23 HB ILE 23 -3.439 -7.957 -10.418 185 1HG1 ILE 23 2HG1 ILE 23 -3.015 -7.475 -7.500 186 2HG1 ILE 23 1HG1 ILE 23 -3.237 -9.121 -8.023 187 1HG2 ILE 23 3HG2 ILE 23 -4.526 -5.757 -10.212 188 2HG2 ILE 23 2HG2 ILE 23 -4.199 -5.847 -8.474 189 3HG2 ILE 23 1HG2 ILE 23 -2.876 -5.778 -9.615 190 1HD1 ILE 23 1HD1 ILE 23 -1.210 -7.200 -9.309 191 2HD1 ILE 23 3HD1 ILE 23 -0.764 -8.430 -8.148 192 3HD1 ILE 23 2HD1 ILE 23 -1.408 -8.883 -9.705 193 H LYS 24 H LYS 24 -4.323 -9.238 -11.374 194 HA LYS 24 HA LYS 24 -4.835 -11.990 -10.497 195 1HB LYS 24 2HB LYS 24 -4.595 -10.758 -13.287 196 2HB LYS 24 1HB LYS 24 -4.597 -12.470 -13.101 197 1HG LYS 24 2HG LYS 24 -6.896 -12.102 -13.434 198 2HG LYS 24 1HG LYS 24 -6.816 -12.099 -11.694 199 1HD LYS 24 2HD LYS 24 -8.130 -10.185 -12.124 200 2HD LYS 24 1HD LYS 24 -6.565 -9.485 -11.863 201 1HE LYS 24 2HE LYS 24 -7.472 -10.169 -14.660 202 2HE LYS 24 1HE LYS 24 -7.942 -8.668 -13.884 203 1HZ LYS 24 2HZ LYS 24 -5.130 -8.943 -13.512 204 2HZ LYS 24 1HZ LYS 24 -5.478 -9.201 -15.136 205 3HZ LYS 24 3HZ LYS 24 -6.030 -7.847 -14.382 206 HA PRO 25 HA PRO 25 -0.422 -12.884 -10.437 207 1HB PRO 25 2HB PRO 25 -0.062 -15.048 -12.148 208 2HB PRO 25 1HB PRO 25 -0.763 -15.190 -10.534 209 1HG PRO 25 2HG PRO 25 -2.256 -14.738 -13.179 210 2HG PRO 25 1HG PRO 25 -2.502 -16.062 -12.025 211 1HD PRO 25 2HD PRO 25 -4.120 -13.976 -11.787 212 2HD PRO 25 1HD PRO 25 -3.300 -14.514 -10.303 213 H GLY 26 H GLY 26 -0.030 -10.697 -11.459 214 1HA GLY 26 2HA GLY 26 2.095 -10.583 -13.240 215 2HA GLY 26 1HA GLY 26 0.756 -10.774 -14.332 216 H ASP 27 H ASP 27 -1.107 -9.211 -13.402 217 HA ASP 27 HA ASP 27 -1.372 -6.969 -14.438 218 1HB ASP 27 2HB ASP 27 -1.702 -7.654 -11.545 219 2HB ASP 27 1HB ASP 27 -2.307 -6.101 -12.043 220 H THR 28 H THR 28 0.271 -5.820 -15.287 221 HA THR 28 HA THR 28 2.399 -4.392 -14.037 222 HB THR 28 HB THR 28 0.994 -3.858 -16.642 223 HG1 THR 28 HG1 THR 28 3.155 -5.452 -15.779 224 1HG2 THR 28 2HG2 THR 28 3.916 -3.549 -15.707 225 2HG2 THR 28 1HG2 THR 28 3.327 -3.289 -17.349 226 3HG2 THR 28 3HG2 THR 28 2.889 -2.193 -16.069 227 H VAL 29 H VAL 29 0.136 -3.713 -12.782 228 HA VAL 29 HA VAL 29 -1.018 -1.133 -13.129 229 HB VAL 29 HB VAL 29 -0.311 -2.599 -10.530 230 1HG1 VAL 29 1HG1 VAL 29 -2.451 -0.458 -11.021 231 2HG1 VAL 29 3HG1 VAL 29 -2.195 -1.320 -9.517 232 3HG1 VAL 29 2HG1 VAL 29 -0.975 -0.215 -10.109 233 1HG2 VAL 29 1HG2 VAL 29 -2.897 -2.654 -12.171 234 2HG2 VAL 29 3HG2 VAL 29 -1.742 -3.961 -12.048 235 3HG2 VAL 29 2HG2 VAL 29 -2.637 -3.464 -10.639 236 H GLU 30 H GLU 30 -0.622 0.847 -12.470 237 HA GLU 30 HA GLU 30 2.169 1.470 -11.843 238 1HB GLU 30 2HB GLU 30 1.859 3.533 -13.134 239 2HB GLU 30 1HB GLU 30 1.435 2.138 -14.076 240 1HG GLU 30 2HG GLU 30 -0.892 2.547 -13.985 241 2HG GLU 30 1HG GLU 30 -0.779 3.367 -12.446 242 H PHE 31 H PHE 31 2.650 3.170 -10.664 243 HA PHE 31 HA PHE 31 0.717 4.093 -8.537 244 1HB PHE 31 2HB PHE 31 3.799 3.885 -8.542 245 2HB PHE 31 1HB PHE 31 2.873 4.405 -7.150 246 HD1 PHE 31 HD1 PHE 31 0.782 2.631 -6.670 247 HD2 PHE 31 HD2 PHE 31 4.552 1.656 -8.392 248 HE1 PHE 31 HE1 PHE 31 0.519 0.293 -5.946 249 HE2 PHE 31 HE2 PHE 31 4.282 -0.660 -7.662 250 HZ PHE 31 HZ PHE 31 2.264 -1.346 -6.438 251 H LEU 32 H LEU 32 -0.053 6.034 -9.067 252 HA LEU 32 HA LEU 32 1.424 7.907 -10.750 253 1HB LEU 32 2HB LEU 32 -0.801 6.961 -11.371 254 2HB LEU 32 1HB LEU 32 -1.510 7.852 -10.059 255 HG LEU 32 HG LEU 32 0.120 9.317 -12.183 256 1HD1 LEU 32 3HD1 LEU 32 -2.831 8.551 -12.307 257 2HD1 LEU 32 2HD1 LEU 32 -2.001 9.643 -13.428 258 3HD1 LEU 32 1HD1 LEU 32 -1.556 7.959 -13.336 259 1HD2 LEU 32 3HD2 LEU 32 -2.269 10.158 -10.456 260 2HD2 LEU 32 2HD2 LEU 32 -0.614 10.631 -10.175 261 3HD2 LEU 32 1HD2 LEU 32 -1.413 11.180 -11.617 262 H ASN 33 H ASN 33 2.478 9.465 -9.934 263 HA ASN 33 HA ASN 33 1.931 10.745 -7.353 264 1HB ASN 33 2HB ASN 33 3.864 11.451 -9.628 265 2HB ASN 33 1HB ASN 33 3.939 12.167 -8.026 266 1HD2 ASN 33 2HD2 ASN 33 5.342 8.483 -8.626 267 2HD2 ASN 33 1HD2 ASN 33 4.475 9.286 -9.867 268 H ASN 34 H ASN 34 -0.168 11.463 -7.649 269 HA ASN 34 HA ASN 34 -0.847 13.465 -9.673 270 1HB ASN 34 2HB ASN 34 -3.092 13.394 -8.455 271 2HB ASN 34 1HB ASN 34 -2.529 11.844 -9.027 272 1HD2 ASN 34 2HD2 ASN 34 -3.394 10.856 -5.771 273 2HD2 ASN 34 1HD2 ASN 34 -3.933 10.871 -7.398 274 H LYS 35 H LYS 35 -0.520 13.803 -6.175 275 HA LYS 35 HA LYS 35 0.061 16.686 -6.414 276 1HB LYS 35 2HB LYS 35 -2.296 15.553 -4.810 277 2HB LYS 35 1HB LYS 35 -1.711 17.172 -4.542 278 1HG LYS 35 2HG LYS 35 -3.205 17.829 -6.120 279 2HG LYS 35 1HG LYS 35 -2.088 17.195 -7.309 280 1HD LYS 35 2HD LYS 35 -3.248 14.875 -6.910 281 2HD LYS 35 1HD LYS 35 -4.368 15.725 -5.908 282 1HE LYS 35 2HE LYS 35 -5.442 15.479 -8.067 283 2HE LYS 35 1HE LYS 35 -4.976 17.161 -7.909 284 1HZ LYS 35 1HZ LYS 35 -2.735 15.803 -8.880 285 2HZ LYS 35 3HZ LYS 35 -4.070 15.161 -9.716 286 3HZ LYS 35 2HZ LYS 35 -3.710 16.829 -9.794 287 H VAL 36 H VAL 36 0.076 17.353 -3.791 288 HA VAL 36 HA VAL 36 2.051 17.304 -2.308 289 HB VAL 36 HB VAL 36 1.025 15.753 -0.397 290 1HG1 VAL 36 3HG1 VAL 36 -0.509 18.128 -1.594 291 2HG1 VAL 36 2HG1 VAL 36 -0.641 17.547 0.054 292 3HG1 VAL 36 1HG1 VAL 36 0.858 18.260 -0.500 293 1HG2 VAL 36 2HG2 VAL 36 -0.501 14.496 -1.999 294 2HG2 VAL 36 1HG2 VAL 36 -1.395 15.337 -0.745 295 3HG2 VAL 36 3HG2 VAL 36 -1.333 15.988 -2.363 296 HA PRO 37 HA PRO 37 4.035 13.387 -3.568 297 1HB PRO 37 2HB PRO 37 5.459 14.221 -5.687 298 2HB PRO 37 1HB PRO 37 3.693 14.392 -5.716 299 1HG PRO 37 2HG PRO 37 5.816 16.486 -5.002 300 2HG PRO 37 1HG PRO 37 4.441 16.682 -6.086 301 1HD PRO 37 2HD PRO 37 4.494 17.325 -3.281 302 2HD PRO 37 1HD PRO 37 3.035 17.232 -4.300 303 HA PRO 38 HA PRO 38 5.779 12.422 -4.879 304 1HB PRO 38 2HB PRO 38 7.961 11.073 -5.187 305 2HB PRO 38 1HB PRO 38 8.025 12.818 -5.471 306 1HG PRO 38 2HG PRO 38 8.784 11.324 -2.884 307 2HG PRO 38 1HG PRO 38 9.765 12.505 -3.770 308 1HD PRO 38 2HD PRO 38 8.072 13.155 -1.598 309 2HD PRO 38 1HD PRO 38 8.568 14.322 -2.840 310 H HIS 39 HN HIP 39 5.446 10.131 -5.160 311 HA HIS 39 HA HIP 39 4.936 8.730 -2.569 312 1HB HIS 39 2HB HIP 39 3.464 8.688 -5.127 313 2HB HIS 39 1HB HIP 39 2.914 7.886 -3.660 314 HD2 HIS 39 HD2 HIP 39 2.962 11.194 -5.531 315 HE1 HIS 39 HE1 HIP 39 1.279 12.103 -1.845 316 HE2 HIS 39 HE2 HIP 39 1.732 12.887 -4.086 317 H ASN 40 H ASN 40 7.102 7.281 -2.680 318 HA ASN 40 HA ASN 40 7.031 5.351 -4.964 319 1HB ASN 40 2HB ASN 40 9.208 5.637 -2.871 320 2HB ASN 40 1HB ASN 40 9.336 4.924 -4.476 321 1HD2 ASN 40 2HD2 ASN 40 10.631 7.851 -5.652 322 2HD2 ASN 40 1HD2 ASN 40 10.594 6.159 -5.716 323 H VAL 41 H VAL 41 6.719 3.117 -4.565 324 HA VAL 41 HA VAL 41 6.211 2.433 -1.685 325 HB VAL 41 HB VAL 41 4.600 0.969 -2.187 326 1HG1 VAL 41 1HG1 VAL 41 3.915 3.359 -2.067 327 2HG1 VAL 41 3HG1 VAL 41 4.198 3.561 -3.777 328 3HG1 VAL 41 2HG1 VAL 41 2.900 2.528 -3.224 329 1HG2 VAL 41 1HG2 VAL 41 5.040 1.711 -5.174 330 2HG2 VAL 41 3HG2 VAL 41 5.326 0.122 -4.506 331 3HG2 VAL 41 2HG2 VAL 41 3.705 0.749 -4.613 332 H VAL 42 H VAL 42 7.580 1.263 -0.703 333 HA VAL 42 HA VAL 42 9.153 -0.795 -2.130 334 HB VAL 42 HB VAL 42 9.913 -1.446 0.268 335 1HG1 VAL 42 2HG1 VAL 42 9.978 1.545 -0.317 336 2HG1 VAL 42 1HG1 VAL 42 11.079 0.718 0.756 337 3HG1 VAL 42 3HG1 VAL 42 11.102 0.363 -0.959 338 1HG2 VAL 42 1HG2 VAL 42 7.785 -0.704 1.467 339 2HG2 VAL 42 3HG2 VAL 42 9.246 -0.012 2.150 340 3HG2 VAL 42 2HG2 VAL 42 8.260 0.958 1.101 341 H PHE 43 H PHE 43 8.799 -3.134 -1.438 342 HA PHE 43 HA PHE 43 5.891 -3.657 -1.295 343 1HB PHE 43 2HB PHE 43 7.932 -4.817 -2.727 344 2HB PHE 43 1HB PHE 43 6.771 -5.960 -2.087 345 HD1 PHE 43 HD2 PHE 43 6.155 -2.401 -3.238 346 HD2 PHE 43 HD1 PHE 43 5.492 -6.546 -3.895 347 HE1 PHE 43 HE2 PHE 43 4.554 -1.860 -4.977 348 HE2 PHE 43 HE1 PHE 43 3.887 -6.003 -5.636 349 HZ PHE 43 HZ PHE 43 3.391 -3.659 -6.196 350 H ASP 44 H ASP 44 5.064 -4.685 0.376 351 HA ASP 44 HA ASP 44 6.465 -5.374 2.644 352 1HB ASP 44 2HB ASP 44 3.783 -5.806 1.537 353 2HB ASP 44 1HB ASP 44 4.141 -6.703 3.006 354 H ALA 45 H ALA 45 8.098 -6.514 2.555 355 HA ALA 45 HA ALA 45 8.063 -9.378 1.945 356 1HB ALA 45 3HB ALA 45 9.994 -7.910 1.275 357 2HB ALA 45 2HB ALA 45 10.281 -7.499 2.955 358 3HB ALA 45 1HB ALA 45 10.539 -9.147 2.396 359 H ALA 46 H ALA 46 6.889 -7.421 4.096 360 HA ALA 46 HA ALA 46 7.283 -8.830 6.672 361 1HB ALA 46 3HB ALA 46 6.576 -5.970 6.022 362 2HB ALA 46 2HB ALA 46 6.704 -6.632 7.639 363 3HB ALA 46 1HB ALA 46 8.120 -6.557 6.605 364 H LEU 47 H LEU 47 4.708 -6.777 5.185 365 HA LEU 47 HA LEU 47 2.567 -8.275 6.522 366 1HB LEU 47 2HB LEU 47 2.665 -5.774 4.832 367 2HB LEU 47 1HB LEU 47 1.169 -6.406 5.401 368 HG LEU 47 HG LEU 47 1.735 -5.957 7.730 369 1HD1 LEU 47 1HD1 LEU 47 4.431 -5.000 6.661 370 2HD1 LEU 47 3HD1 LEU 47 3.888 -4.872 8.322 371 3HD1 LEU 47 2HD1 LEU 47 4.212 -6.446 7.635 372 1HD2 LEU 47 3HD2 LEU 47 2.605 -3.742 5.813 373 2HD2 LEU 47 2HD2 LEU 47 0.944 -4.094 6.239 374 3HD2 LEU 47 1HD2 LEU 47 2.044 -3.465 7.457 375 H ASN 48 H ASN 48 3.038 -10.289 5.014 376 HA ASN 48 HA ASN 48 0.737 -10.638 3.381 377 1HB ASN 48 2HB ASN 48 1.332 -9.573 1.526 378 2HB ASN 48 1HB ASN 48 2.923 -9.203 2.106 379 1HD2 ASN 48 2HD2 ASN 48 4.394 -11.131 -0.284 380 2HD2 ASN 48 1HD2 ASN 48 4.524 -9.862 0.854 381 HA PRO 49 HA PRO 49 1.482 -15.086 3.432 382 1HB PRO 49 2HB PRO 49 0.589 -15.634 0.777 383 2HB PRO 49 1HB PRO 49 -0.456 -15.521 2.192 384 1HG PRO 49 2HG PRO 49 0.343 -13.291 0.284 385 2HG PRO 49 1HG PRO 49 -1.297 -13.760 0.766 386 1HD PRO 49 2HD PRO 49 -0.245 -11.723 2.032 387 2HD PRO 49 1HD PRO 49 -0.871 -13.004 3.085 388 H ALA 50 H ALA 50 2.497 -13.721 0.318 389 HA ALA 50 HA ALA 50 5.010 -15.371 0.553 390 1HB ALA 50 3HB ALA 50 3.692 -15.755 -1.561 391 2HB ALA 50 2HB ALA 50 3.867 -14.031 -1.938 392 3HB ALA 50 1HB ALA 50 5.280 -15.056 -1.857 393 H LYS 51 H LYS 51 5.309 -13.686 2.127 394 HA LYS 51 HA LYS 51 6.132 -11.025 1.314 395 1HB LYS 51 2HB LYS 51 6.810 -10.973 3.780 396 2HB LYS 51 1HB LYS 51 5.152 -11.386 3.475 397 1HG LYS 51 2HG LYS 51 5.343 -13.603 4.144 398 2HG LYS 51 1HG LYS 51 6.993 -13.773 3.589 399 1HD LYS 51 2HD LYS 51 6.251 -11.956 5.914 400 2HD LYS 51 1HD LYS 51 6.541 -13.668 6.176 401 1HE LYS 51 2HE LYS 51 8.798 -13.545 5.503 402 2HE LYS 51 1HE LYS 51 8.562 -12.091 4.560 403 1HZ LYS 51 3HZ LYS 51 7.804 -11.541 7.213 404 2HZ LYS 51 2HZ LYS 51 9.385 -12.197 7.248 405 3HZ LYS 51 1HZ LYS 51 9.005 -10.867 6.239 406 H SER 52 H SER 52 7.339 -12.552 -0.313 407 HA SER 52 HA SER 52 10.167 -12.947 0.490 408 1HB SER 52 2HB SER 52 9.001 -14.980 -0.077 409 2HB SER 52 1HB SER 52 8.738 -14.374 -1.722 410 HG SER 52 HG SER 52 10.993 -14.173 -1.967 411 H ALA 53 H ALA 53 9.933 -10.341 -0.289 412 HA ALA 53 HA ALA 53 9.906 -9.275 -2.761 413 1HB ALA 53 2HB ALA 53 12.269 -9.025 -0.797 414 2HB ALA 53 1HB ALA 53 11.908 -7.846 -2.057 415 3HB ALA 53 3HB ALA 53 10.786 -8.087 -0.737 416 H ASP 54 H ASP 54 12.772 -11.301 -2.029 417 HA ASP 54 HA ASP 54 14.244 -10.954 -4.358 418 1HB ASP 54 2HB ASP 54 13.595 -13.325 -2.490 419 2HB ASP 54 1HB ASP 54 14.890 -13.409 -3.687 420 H LEU 55 H LEU 55 11.176 -12.534 -4.167 421 HA LEU 55 HA LEU 55 10.940 -13.960 -6.506 422 1HB LEU 55 2HB LEU 55 8.476 -13.577 -6.321 423 2HB LEU 55 1HB LEU 55 9.071 -13.450 -4.683 424 HG LEU 55 HG LEU 55 9.361 -10.908 -5.309 425 1HD1 LEU 55 1HD1 LEU 55 8.474 -11.159 -7.714 426 2HD1 LEU 55 3HD1 LEU 55 6.948 -11.674 -7.075 427 3HD1 LEU 55 2HD1 LEU 55 7.492 -10.045 -6.799 428 1HD2 LEU 55 2HD2 LEU 55 6.619 -12.077 -4.692 429 2HD2 LEU 55 1HD2 LEU 55 7.842 -11.617 -3.508 430 3HD2 LEU 55 3HD2 LEU 55 7.022 -10.406 -4.462 431 H ALA 56 H ALA 56 11.246 -10.682 -6.269 432 HA ALA 56 HA ALA 56 11.885 -10.357 -9.072 433 1HB ALA 56 3HB ALA 56 9.270 -9.219 -8.040 434 2HB ALA 56 2HB ALA 56 9.975 -8.812 -9.582 435 3HB ALA 56 1HB ALA 56 9.484 -10.472 -9.240 436 H LYS 57 H LYS 57 11.411 -8.856 -6.102 437 HA LYS 57 HA LYS 57 12.121 -6.761 -5.080 438 1HB LYS 57 2HB LYS 57 14.336 -7.783 -6.886 439 2HB LYS 57 1HB LYS 57 14.267 -6.048 -7.037 440 1HG LYS 57 2HG LYS 57 15.832 -6.398 -5.283 441 2HG LYS 57 1HG LYS 57 14.360 -5.927 -4.454 442 1HD LYS 57 2HD LYS 57 13.809 -8.374 -4.063 443 2HD LYS 57 1HD LYS 57 15.279 -8.836 -4.893 444 1HE LYS 57 2HE LYS 57 16.603 -7.567 -3.134 445 2HE LYS 57 1HE LYS 57 15.090 -7.303 -2.263 446 1HZ LYS 57 3HZ LYS 57 15.245 -10.045 -3.028 447 2HZ LYS 57 2HZ LYS 57 16.632 -9.780 -2.309 448 3HZ LYS 57 1HZ LYS 57 15.223 -9.548 -1.491 449 H SER 58 H SER 58 12.236 -6.327 -8.606 450 HA SER 58 HA SER 58 11.579 -3.673 -8.879 451 1HB SER 58 2HB SER 58 10.144 -5.923 -10.413 452 2HB SER 58 1HB SER 58 10.537 -4.297 -11.002 453 HG SER 58 HG SER 58 12.346 -6.436 -10.400 454 H LEU 59 H LEU 59 9.727 -6.240 -7.675 455 HA LEU 59 HA LEU 59 7.002 -5.463 -7.482 456 1HB LEU 59 2HB LEU 59 6.861 -7.099 -5.881 457 2HB LEU 59 1HB LEU 59 7.934 -7.604 -7.146 458 HG LEU 59 HG LEU 59 9.825 -6.637 -5.476 459 1HD1 LEU 59 3HD1 LEU 59 7.868 -6.038 -4.058 460 2HD1 LEU 59 2HD1 LEU 59 7.569 -7.699 -3.706 461 3HD1 LEU 59 1HD1 LEU 59 9.088 -6.963 -3.176 462 1HD2 LEU 59 1HD2 LEU 59 8.347 -9.137 -5.070 463 2HD2 LEU 59 3HD2 LEU 59 9.624 -8.907 -6.246 464 3HD2 LEU 59 2HD2 LEU 59 9.950 -8.684 -4.552 465 H SER 60 H SER 60 9.543 -5.153 -4.819 466 HA SER 60 HA SER 60 8.426 -2.894 -3.537 467 1HB SER 60 2HB SER 60 10.776 -3.141 -2.250 468 2HB SER 60 1HB SER 60 9.741 -4.564 -2.119 469 HG SER 60 HG SER 60 11.372 -4.280 -4.380 470 H HIS 61 H HIS 61 8.399 -1.061 -4.664 471 HA HIS 61 HA HIS 61 10.838 -0.071 -6.023 472 1HB HIS 61 2HB HIS 61 8.658 0.131 -7.200 473 2HB HIS 61 1HB HIS 61 7.934 0.938 -5.822 474 HD1 HIS 61 HD1 HIS 61 10.891 1.535 -8.019 475 HD2 HIS 61 HD2 HIS 61 7.984 3.665 -6.136 476 HE1 HIS 61 HE1 HIS 61 11.287 3.952 -8.601 477 H LYS 62 H LYS 62 10.839 2.619 -5.544 478 HA LYS 62 HA LYS 62 10.442 3.916 -3.174 479 1HB LYS 62 2HB LYS 62 12.382 3.510 -1.704 480 2HB LYS 62 1HB LYS 62 11.223 2.266 -1.748 481 1HG LYS 62 2HG LYS 62 12.762 0.717 -2.498 482 2HG LYS 62 1HG LYS 62 13.245 1.729 -3.831 483 1HD LYS 62 2HD LYS 62 14.191 2.077 -0.914 484 2HD LYS 62 1HD LYS 62 15.157 1.249 -2.115 485 1HE LYS 62 2HE LYS 62 14.228 4.164 -2.307 486 2HE LYS 62 1HE LYS 62 15.820 3.649 -1.797 487 1HZ LYS 62 1HZ LYS 62 15.346 2.196 -4.111 488 2HZ LYS 62 3HZ LYS 62 14.732 3.697 -4.480 489 3HZ LYS 62 2HZ LYS 62 16.343 3.598 -4.015 490 H GLN 63 H GLN 63 11.721 5.636 -2.676 491 HA GLN 63 HA GLN 63 13.583 7.036 -2.689 492 1HB GLN 63 2HB GLN 63 14.760 5.321 -4.023 493 2HB GLN 63 1HB GLN 63 14.196 6.074 -5.509 494 1HG GLN 63 2HG GLN 63 15.614 8.010 -5.060 495 2HG GLN 63 1HG GLN 63 15.915 7.515 -3.398 496 1HE2 GLN 63 2HE2 GLN 63 18.478 6.225 -6.004 497 2HE2 GLN 63 1HE2 GLN 63 17.601 7.681 -6.124 498 H LEU 64 H LEU 64 11.543 8.286 -2.796 499 HA LEU 64 HA LEU 64 10.230 10.044 -3.588 500 1HB LEU 64 2HB LEU 64 13.121 10.800 -3.914 501 2HB LEU 64 1HB LEU 64 11.904 12.002 -4.208 502 HG LEU 64 HG LEU 64 11.029 11.695 -1.873 503 1HD1 LEU 64 3HD1 LEU 64 13.411 9.823 -1.523 504 2HD1 LEU 64 2HD1 LEU 64 12.407 10.444 -0.230 505 3HD1 LEU 64 1HD1 LEU 64 11.724 9.359 -1.393 506 1HD2 LEU 64 2HD2 LEU 64 12.812 13.385 -2.366 507 2HD2 LEU 64 1HD2 LEU 64 13.023 12.721 -0.757 508 3HD2 LEU 64 3HD2 LEU 64 14.042 12.170 -2.074 509 H LEU 65 H LEU 65 9.068 9.194 -5.355 510 HA LEU 65 HA LEU 65 9.915 9.470 -8.114 511 1HB LEU 65 2HB LEU 65 7.189 8.951 -6.823 512 2HB LEU 65 1HB LEU 65 7.348 9.134 -8.549 513 HG LEU 65 HG LEU 65 8.711 6.957 -6.917 514 1HD1 LEU 65 1HD1 LEU 65 6.226 6.740 -7.162 515 2HD1 LEU 65 3HD1 LEU 65 6.406 6.879 -8.904 516 3HD1 LEU 65 2HD1 LEU 65 7.090 5.509 -8.056 517 1HD2 LEU 65 1HD2 LEU 65 8.514 7.435 -9.930 518 2HD2 LEU 65 3HD2 LEU 65 9.985 7.611 -8.997 519 3HD2 LEU 65 2HD2 LEU 65 9.253 6.040 -9.172 520 H MET 66 H MET 66 10.599 11.625 -8.144 521 HA MET 66 HA MET 66 8.688 13.864 -7.881 522 1HB MET 66 2HB MET 66 11.408 13.722 -9.100 523 2HB MET 66 1HB MET 66 10.528 15.192 -8.673 524 1HG MET 66 2HG MET 66 11.500 13.042 -6.716 525 2HG MET 66 1HG MET 66 12.178 14.627 -6.862 526 1HE MET 66 1HE MET 66 10.755 16.798 -6.525 527 2HE MET 66 3HE MET 66 10.055 16.933 -4.929 528 3HE MET 66 2HE MET 66 11.719 16.393 -5.086 529 H SER 67 H SER 67 7.507 12.527 -9.282 530 HA SER 67 HA SER 67 7.534 13.165 -12.227 531 1HB SER 67 2HB SER 67 6.291 10.834 -10.729 532 2HB SER 67 1HB SER 67 6.085 11.093 -12.453 533 HG SER 67 HG SER 67 8.705 11.408 -11.725 534 HA PRO 68 HA PRO 68 3.935 15.524 -10.181 535 1HB PRO 68 2HB PRO 68 4.282 17.820 -11.708 536 2HB PRO 68 1HB PRO 68 5.116 17.540 -10.176 537 1HG PRO 68 2HG PRO 68 6.097 16.832 -13.004 538 2HG PRO 68 1HG PRO 68 6.941 17.841 -11.822 539 1HD PRO 68 2HD PRO 68 7.632 15.292 -11.944 540 2HD PRO 68 1HD PRO 68 7.256 15.907 -10.315 541 H GLY 69 H GLY 69 2.654 13.861 -11.170 542 1HA GLY 69 2HA GLY 69 0.511 13.844 -12.437 543 2HA GLY 69 1HA GLY 69 1.307 14.734 -13.722 544 H GLN 70 H GLN 70 3.315 12.372 -12.583 545 HA GLN 70 HA GLN 70 2.424 10.428 -14.680 546 1HB GLN 70 2HB GLN 70 4.236 11.648 -15.572 547 2HB GLN 70 1HB GLN 70 5.166 11.607 -14.113 548 1HG GLN 70 2HG GLN 70 5.424 9.011 -14.494 549 2HG GLN 70 1HG GLN 70 4.590 9.241 -16.020 550 1HE2 GLN 70 2HE2 GLN 70 8.429 9.885 -15.956 551 2HE2 GLN 70 1HE2 GLN 70 7.650 9.102 -14.656 552 H SER 71 H SER 71 3.002 8.362 -14.598 553 HA SER 71 HA SER 71 3.322 7.207 -11.871 554 1HB SER 71 2HB SER 71 1.871 5.907 -14.155 555 2HB SER 71 1HB SER 71 1.840 5.453 -12.442 556 HG SER 71 HG SER 71 0.157 6.869 -13.146 557 H THR 72 H THR 72 4.195 5.301 -11.505 558 HA THR 72 HA THR 72 6.282 4.255 -13.469 559 HB THR 72 HB THR 72 7.344 5.131 -11.399 560 HG1 THR 72 HG1 THR 72 7.672 2.421 -11.173 561 1HG2 THR 72 2HG2 THR 72 6.036 2.657 -10.098 562 2HG2 THR 72 1HG2 THR 72 7.187 3.762 -9.365 563 3HG2 THR 72 3HG2 THR 72 5.547 4.298 -9.712 564 H SER 73 H SER 73 6.261 1.857 -13.717 565 HA SER 73 HA SER 73 3.821 0.515 -12.549 566 1HB SER 73 2HB SER 73 5.135 0.165 -15.209 567 2HB SER 73 1HB SER 73 4.251 -1.200 -14.520 568 HG SER 73 HG SER 73 2.427 -0.132 -14.788 569 H THR 74 H THR 74 3.735 -1.358 -11.694 570 HA THR 74 HA THR 74 6.296 -2.848 -11.120 571 HB THR 74 HB THR 74 3.924 -2.396 -9.253 572 HG1 THR 74 HG1 THR 74 6.522 -1.871 -8.557 573 1HG2 THR 74 1HG2 THR 74 6.640 -3.769 -8.824 574 2HG2 THR 74 3HG2 THR 74 5.403 -3.520 -7.606 575 3HG2 THR 74 2HG2 THR 74 5.128 -4.671 -8.907 576 H THR 75 H THR 75 6.242 -4.513 -12.495 577 HA THR 75 HA THR 75 3.778 -6.179 -12.820 578 HB THR 75 HB THR 75 6.470 -6.442 -14.286 579 HG1 THR 75 HG1 THR 75 4.987 -5.733 -15.964 580 1HG2 THR 75 2HG2 THR 75 3.676 -7.555 -14.927 581 2HG2 THR 75 1HG2 THR 75 5.117 -7.781 -15.903 582 3HG2 THR 75 3HG2 THR 75 4.992 -8.559 -14.356 583 H PHE 76 H PHE 76 3.674 -8.301 -12.584 584 HA PHE 76 HA PHE 76 5.542 -9.543 -10.592 585 1HB PHE 76 2HB PHE 76 2.603 -10.072 -11.248 586 2HB PHE 76 1HB PHE 76 3.474 -10.975 -10.035 587 HD1 PHE 76 HD1 PHE 76 4.218 -9.815 -7.944 588 HD2 PHE 76 HD2 PHE 76 1.932 -7.774 -10.905 589 HE1 PHE 76 HE1 PHE 76 3.724 -8.034 -6.342 590 HE2 PHE 76 HE2 PHE 76 1.448 -6.005 -9.330 591 HZ PHE 76 HZ PHE 76 2.325 -6.107 -7.032 592 HA PRO 77 HA PRO 77 6.026 -13.001 -13.523 593 1HB PRO 77 2HB PRO 77 6.443 -15.127 -11.855 594 2HB PRO 77 1HB PRO 77 7.637 -13.833 -11.948 595 1HG PRO 77 2HG PRO 77 5.289 -14.048 -9.964 596 2HG PRO 77 1HG PRO 77 7.005 -13.946 -9.562 597 1HD PRO 77 2HD PRO 77 5.521 -11.672 -9.632 598 2HD PRO 77 1HD PRO 77 7.162 -11.647 -10.322 599 H ALA 78 H ALA 78 4.935 -15.416 -13.569 600 HA ALA 78 HA ALA 78 1.980 -14.895 -13.470 601 1HB ALA 78 1HB ALA 78 3.069 -15.601 -15.645 602 2HB ALA 78 3HB ALA 78 3.670 -17.054 -14.852 603 3HB ALA 78 2HB ALA 78 1.941 -16.832 -15.088 604 H ASP 79 H ASP 79 4.487 -16.491 -12.115 605 HA ASP 79 HA ASP 79 3.298 -18.696 -10.688 606 1HB ASP 79 2HB ASP 79 6.080 -17.448 -10.327 607 2HB ASP 79 1HB ASP 79 5.656 -19.141 -10.302 608 H ALA 80 H ALA 80 1.975 -16.406 -10.197 609 HA ALA 80 HA ALA 80 2.589 -15.563 -7.379 610 1HB ALA 80 3HB ALA 80 1.161 -14.120 -9.623 611 2HB ALA 80 2HB ALA 80 1.393 -13.482 -8.000 612 3HB ALA 80 1HB ALA 80 2.782 -13.782 -9.043 613 HA PRO 81 HA PRO 81 -1.475 -17.634 -6.749 614 1HB PRO 81 2HB PRO 81 -0.815 -19.332 -4.798 615 2HB PRO 81 1HB PRO 81 -0.245 -19.646 -6.442 616 1HG PRO 81 2HG PRO 81 1.262 -18.004 -4.273 617 2HG PRO 81 1HG PRO 81 1.858 -19.506 -4.997 618 1HD PRO 81 2HD PRO 81 2.568 -17.105 -6.015 619 2HD PRO 81 1HD PRO 81 2.178 -18.414 -7.154 620 H ALA 82 H ALA 82 -2.602 -17.812 -4.527 621 HA ALA 82 HA ALA 82 -3.621 -15.699 -3.390 622 1HB ALA 82 2HB ALA 82 -2.365 -17.961 -1.750 623 2HB ALA 82 1HB ALA 82 -3.652 -16.916 -1.170 624 3HB ALA 82 3HB ALA 82 -3.945 -17.996 -2.527 625 H GLY 83 H GLY 83 -2.189 -14.013 -3.871 626 1HA GLY 83 2HA GLY 83 -0.206 -13.380 -1.675 627 2HA GLY 83 1HA GLY 83 0.013 -12.926 -3.321 628 H GLU 84 H GLU 84 -0.523 -11.733 -0.447 629 HA GLU 84 HA GLU 84 -2.165 -9.406 -1.348 630 1HB GLU 84 2HB GLU 84 -1.092 -10.085 1.398 631 2HB GLU 84 1HB GLU 84 -2.214 -8.842 1.042 632 1HG GLU 84 2HG GLU 84 -3.885 -10.746 0.218 633 2HG GLU 84 1HG GLU 84 -2.660 -11.874 0.690 634 H TYR 85 H TYR 85 -0.041 -9.259 -2.723 635 HA TYR 85 HA TYR 85 2.412 -8.283 -1.553 636 1HB TYR 85 2HB TYR 85 1.438 -7.636 -4.379 637 2HB TYR 85 1HB TYR 85 3.068 -7.879 -3.840 638 HD1 TYR 85 HD2 TYR 85 2.550 -10.473 -2.155 639 HD2 TYR 85 HD1 TYR 85 1.414 -9.335 -6.096 640 HE1 TYR 85 HE2 TYR 85 2.433 -12.841 -2.837 641 HE2 TYR 85 HE1 TYR 85 1.314 -11.722 -6.723 642 HH TYR 85 HH TYR 85 0.986 -14.198 -4.915 643 H THR 86 H THR 86 1.552 -6.863 0.011 644 HA THR 86 HA THR 86 0.302 -4.360 -0.420 645 HB THR 86 HB THR 86 2.058 -5.133 1.958 646 HG1 THR 86 HG1 THR 86 0.477 -6.444 2.265 647 1HG2 THR 86 2HG2 THR 86 1.133 -2.728 1.878 648 2HG2 THR 86 1HG2 THR 86 -0.470 -3.460 1.786 649 3HG2 THR 86 3HG2 THR 86 0.557 -3.745 3.181 650 H PHE 87 H PHE 87 0.908 -2.434 -0.849 651 HA PHE 87 HA PHE 87 3.724 -1.843 -1.346 652 1HB PHE 87 2HB PHE 87 2.759 0.004 -2.875 653 2HB PHE 87 1HB PHE 87 3.007 -1.647 -3.389 654 HD1 PHE 87 HD1 PHE 87 1.042 -3.223 -3.225 655 HD2 PHE 87 HD2 PHE 87 0.732 0.988 -3.136 656 HE1 PHE 87 HE1 PHE 87 -1.254 -3.397 -3.930 657 HE2 PHE 87 HE2 PHE 87 -1.566 0.882 -3.815 658 HZ PHE 87 HZ PHE 87 -2.643 -1.341 -4.245 659 H TYR 88 H TYR 88 4.638 -0.255 -0.599 660 HA TYR 88 HA TYR 88 3.693 1.510 1.450 661 1HB TYR 88 2HB TYR 88 6.116 0.219 0.511 662 2HB TYR 88 1HB TYR 88 6.478 1.788 1.147 663 HD1 TYR 88 HD1 TYR 88 4.232 -1.039 1.987 664 HD2 TYR 88 HD2 TYR 88 7.050 1.888 3.188 665 HE1 TYR 88 HE1 TYR 88 4.103 -1.861 4.155 666 HE2 TYR 88 HE2 TYR 88 6.988 1.107 5.394 667 HH TYR 88 HH TYR 88 5.092 -1.838 6.126 668 H CYS 89 H CYS 89 2.669 3.809 0.500 669 HA CYS 89 HA CYS 89 4.636 5.262 -1.066 670 1HB CYS 89 2HB CYS 89 2.176 5.683 -0.726 671 2HB CYS 89 1HB CYS 89 2.600 6.502 0.759 672 H GLU 90 H GLU 90 6.570 4.885 -0.003 673 HA GLU 90 HA GLU 90 7.844 5.083 2.261 674 1HB GLU 90 2HB GLU 90 8.843 4.621 0.301 675 2HB GLU 90 1HB GLU 90 8.354 6.048 -0.540 676 1HG GLU 90 2HG GLU 90 10.230 7.261 1.031 677 2HG GLU 90 1HG GLU 90 10.737 5.632 1.377 678 HA PRO 91 HA PRO 91 8.358 9.640 3.378 679 1HB PRO 91 2HB PRO 91 7.606 11.674 1.743 680 2HB PRO 91 1HB PRO 91 9.111 10.781 1.462 681 1HG PRO 91 2HG PRO 91 6.357 10.163 0.213 682 2HG PRO 91 1HG PRO 91 7.845 10.542 -0.649 683 1HD PRO 91 2HD PRO 91 7.231 7.952 -0.228 684 2HD PRO 91 1HD PRO 91 8.904 8.476 0.037 685 H HIS 92 HN HIP 92 5.562 8.333 2.431 686 HA HIS 92 HA HIP 92 3.839 10.042 4.210 687 1HB HIS 92 2HB HIP 92 2.995 8.476 1.715 688 2HB HIS 92 1HB HIP 92 1.968 9.576 2.627 689 HD2 HIS 92 HD2 HIP 92 4.248 12.052 2.881 690 HE1 HIS 92 HE1 HIP 92 4.010 12.003 -1.283 691 HE2 HIS 92 HE2 HIP 92 4.691 13.258 0.682 692 H ARG 93 H ARG 93 5.026 6.981 3.719 693 HA ARG 93 HA ARG 93 3.530 4.910 4.426 694 1HB ARG 93 2HB ARG 93 6.057 5.190 4.296 695 2HB ARG 93 1HB ARG 93 6.038 5.601 5.983 696 1HG ARG 93 2HG ARG 93 5.057 2.931 4.817 697 2HG ARG 93 1HG ARG 93 6.632 3.199 5.536 698 1HD ARG 93 2HD ARG 93 5.349 3.948 7.639 699 2HD ARG 93 1HD ARG 93 3.937 3.201 6.926 700 HE ARG 93 HE ARG 93 5.235 0.978 6.820 701 1HH1 ARG 93 1HH2 ARG 93 6.119 3.279 9.044 702 2HH1 ARG 93 2HH2 ARG 93 7.142 2.204 9.931 703 1HH2 ARG 93 2HH1 ARG 93 6.424 -0.252 7.623 704 2HH2 ARG 93 1HH1 ARG 93 7.350 0.056 9.059 705 H GLY 94 H GLY 94 1.606 5.705 5.461 706 1HA GLY 94 2HA GLY 94 0.790 4.777 7.875 707 2HA GLY 94 1HA GLY 94 1.700 6.174 8.430 708 H ALA 95 H ALA 95 0.927 7.839 6.236 709 HA ALA 95 HA ALA 95 -1.685 8.747 7.286 710 1HB ALA 95 3HB ALA 95 0.212 10.342 6.770 711 2HB ALA 95 2HB ALA 95 0.164 9.832 5.088 712 3HB ALA 95 1HB ALA 95 -1.192 10.705 5.770 713 H GLY 96 H GLY 96 -2.440 6.648 6.591 714 1HA GLY 96 2HA GLY 96 -3.654 5.114 5.164 715 2HA GLY 96 1HA GLY 96 -4.482 6.586 4.718 716 H MET 97 H MET 97 -1.227 6.160 3.868 717 HA MET 97 HA MET 97 -1.976 5.881 0.979 718 1HB MET 97 2HB MET 97 -0.831 7.968 2.061 719 2HB MET 97 1HB MET 97 0.624 6.996 2.106 720 1HG MET 97 2HG MET 97 0.566 6.734 -0.310 721 2HG MET 97 1HG MET 97 -1.033 7.383 -0.366 722 1HE MET 97 3HE MET 97 -1.144 8.844 -1.880 723 2HE MET 97 2HE MET 97 -1.587 10.051 -0.679 724 3HE MET 97 1HE MET 97 -0.451 10.436 -1.960 725 H VAL 98 H VAL 98 -1.931 3.664 2.456 726 HA VAL 98 HA VAL 98 0.382 2.001 1.570 727 HB VAL 98 HB VAL 98 -0.359 0.528 3.404 728 1HG1 VAL 98 3HG1 VAL 98 0.475 3.393 4.113 729 2HG1 VAL 98 2HG1 VAL 98 0.725 1.991 5.145 730 3HG1 VAL 98 1HG1 VAL 98 1.576 2.119 3.615 731 1HG2 VAL 98 1HG2 VAL 98 -2.644 1.425 3.769 732 2HG2 VAL 98 3HG2 VAL 98 -1.696 1.534 5.235 733 3HG2 VAL 98 2HG2 VAL 98 -1.979 2.967 4.267 734 H GLY 99 H GLY 99 -0.208 0.269 0.113 735 1HA GLY 99 2HA GLY 99 -3.184 -0.381 -0.148 736 2HA GLY 99 1HA GLY 99 -2.171 -0.245 -1.563 737 H LYS 100 H LYS 100 -3.770 -2.524 -0.816 738 HA LYS 100 HA LYS 100 -1.600 -4.571 -0.325 739 1HB LYS 100 2HB LYS 100 -3.273 -4.289 1.496 740 2HB LYS 100 1HB LYS 100 -4.531 -4.832 0.392 741 1HG LYS 100 2HG LYS 100 -3.119 -6.989 0.037 742 2HG LYS 100 1HG LYS 100 -1.997 -6.386 1.227 743 1HD LYS 100 2HD LYS 100 -3.371 -7.818 2.555 744 2HD LYS 100 1HD LYS 100 -4.036 -6.239 2.865 745 1HE LYS 100 2HE LYS 100 -5.883 -7.693 2.455 746 2HE LYS 100 1HE LYS 100 -5.728 -6.695 1.005 747 1HZ LYS 100 2HZ LYS 100 -4.022 -8.991 0.909 748 2HZ LYS 100 1HZ LYS 100 -5.512 -9.500 1.213 749 3HZ LYS 100 3HZ LYS 100 -5.240 -8.580 -0.212 750 H ILE 101 H ILE 101 -1.187 -4.721 -2.696 751 HA ILE 101 HA ILE 101 -3.244 -5.514 -4.547 752 HB ILE 101 HB ILE 101 -0.264 -5.447 -4.636 753 1HG1 ILE 101 2HG1 ILE 101 -2.512 -5.522 -6.731 754 2HG1 ILE 101 1HG1 ILE 101 -1.740 -4.087 -6.097 755 1HG2 ILE 101 3HG2 ILE 101 -0.480 -7.996 -4.737 756 2HG2 ILE 101 2HG2 ILE 101 -1.548 -7.822 -6.101 757 3HG2 ILE 101 1HG2 ILE 101 0.129 -7.331 -6.228 758 1HD1 ILE 101 1HD1 ILE 101 -0.333 -6.203 -7.823 759 2HD1 ILE 101 3HD1 ILE 101 -0.866 -4.661 -8.403 760 3HD1 ILE 101 2HD1 ILE 101 0.427 -4.760 -7.221 761 H THR 102 H THR 102 -4.438 -7.186 -4.566 762 HA THR 102 HA THR 102 -3.676 -9.648 -3.010 763 HB THR 102 HB THR 102 -6.521 -8.733 -3.649 764 HG1 THR 102 HG1 THR 102 -4.962 -7.451 -2.153 765 1HG2 THR 102 3HG2 THR 102 -5.285 -10.555 -1.514 766 2HG2 THR 102 2HG2 THR 102 -6.995 -10.241 -1.751 767 3HG2 THR 102 1HG2 THR 102 -6.099 -11.175 -2.935 768 H VAL 103 H VAL 103 -2.597 -10.656 -4.757 769 HA VAL 103 HA VAL 103 -3.950 -11.132 -7.301 770 HB VAL 103 HB VAL 103 -1.404 -12.258 -5.996 771 1HG1 VAL 103 2HG1 VAL 103 -2.528 -12.881 -8.783 772 2HG1 VAL 103 1HG1 VAL 103 -0.969 -13.393 -8.175 773 3HG1 VAL 103 3HG1 VAL 103 -2.423 -14.049 -7.476 774 1HG2 VAL 103 2HG2 VAL 103 -1.304 -10.000 -6.924 775 2HG2 VAL 103 1HG2 VAL 103 -0.307 -11.103 -7.853 776 3HG2 VAL 103 3HG2 VAL 103 -1.859 -10.622 -8.484 777 H ALA 104 H ALA 104 -5.696 -12.167 -7.147 778 HA ALA 104 HA ALA 104 -7.193 -13.659 -5.605 779 1HB ALA 104 3HB ALA 104 -6.330 -14.646 -8.369 780 2HB ALA 104 2HB ALA 104 -7.800 -15.147 -7.560 781 3HB ALA 104 1HB ALA 104 -7.593 -13.467 -8.046 782 H GLY 105 HN GLY 105 -4.987 -15.733 -7.314 783 1HA GLY 105 2HA GLY 105 -3.370 -17.114 -6.074 784 2HA GLY 105 1HA GLY 105 -4.692 -17.570 -4.987 No H/Q in entry = 784 Start of MODEL 8 1 1H GLU 1 2H GLU 1 -5.264 -5.327 -14.853 2 2H GLU 1 1H GLU 1 -5.538 -6.399 -16.129 3 3H GLU 1 3H GLU 1 -4.614 -6.889 -14.822 4 HA GLU 1 HA GLU 1 -2.769 -6.091 -15.719 5 1HB GLU 1 2HB GLU 1 -4.018 -6.816 -17.806 6 2HB GLU 1 1HB GLU 1 -4.750 -5.226 -17.944 7 1HG GLU 1 2HG GLU 1 -2.560 -5.921 -19.384 8 2HG GLU 1 1HG GLU 1 -2.798 -4.280 -18.861 9 H THR 2 H THR 2 -1.845 -3.610 -16.757 10 HA THR 2 HA THR 2 -1.744 -1.898 -14.709 11 HB THR 2 HB THR 2 -2.091 -1.138 -17.773 12 HG1 THR 2 HG1 THR 2 -0.315 -2.534 -17.538 13 1HG2 THR 2 3HG2 THR 2 -0.293 0.158 -15.650 14 2HG2 THR 2 2HG2 THR 2 -0.538 0.692 -17.302 15 3HG2 THR 2 1HG2 THR 2 -1.822 0.891 -16.121 16 H TYR 3 H TYR 3 -3.270 -2.072 -13.492 17 HA TYR 3 HA TYR 3 -5.732 -0.499 -13.926 18 1HB TYR 3 2HB TYR 3 -4.652 -1.572 -11.252 19 2HB TYR 3 1HB TYR 3 -6.295 -1.066 -11.566 20 HD1 TYR 3 HD2 TYR 3 -7.790 -2.485 -12.966 21 HD2 TYR 3 HD1 TYR 3 -3.857 -3.734 -11.941 22 HE1 TYR 3 HE2 TYR 3 -8.333 -4.817 -13.618 23 HE2 TYR 3 HE1 TYR 3 -4.428 -6.029 -12.583 24 HH TYR 3 HH TYR 3 -6.038 -7.426 -13.185 25 H THR 4 H THR 4 -5.895 1.634 -13.619 26 HA THR 4 HA THR 4 -3.726 3.324 -12.921 27 HB THR 4 HB THR 4 -5.659 5.135 -13.007 28 HG1 THR 4 HG1 THR 4 -7.313 3.692 -14.295 29 1HG2 THR 4 2HG2 THR 4 -5.458 3.119 -15.306 30 2HG2 THR 4 1HG2 THR 4 -5.951 4.808 -15.426 31 3HG2 THR 4 3HG2 THR 4 -4.291 4.398 -15.055 32 H VAL 5 H VAL 5 -3.218 2.415 -10.688 33 HA VAL 5 HA VAL 5 -4.907 3.430 -8.494 34 HB VAL 5 HB VAL 5 -2.071 2.260 -8.406 35 1HG1 VAL 5 1HG1 VAL 5 -4.213 2.525 -6.220 36 2HG1 VAL 5 3HG1 VAL 5 -2.668 1.733 -6.022 37 3HG1 VAL 5 2HG1 VAL 5 -2.733 3.457 -6.280 38 1HG2 VAL 5 2HG2 VAL 5 -4.779 0.891 -7.991 39 2HG2 VAL 5 1HG2 VAL 5 -3.733 0.667 -9.386 40 3HG2 VAL 5 3HG2 VAL 5 -3.204 0.134 -7.803 41 H LYS 6 H LYS 6 -4.409 4.976 -6.987 42 HA LYS 6 HA LYS 6 -2.451 7.061 -7.872 43 1HB LYS 6 2HB LYS 6 -5.361 7.152 -7.517 44 2HB LYS 6 1HB LYS 6 -4.635 8.238 -6.378 45 1HG LYS 6 2HG LYS 6 -5.201 9.351 -8.594 46 2HG LYS 6 1HG LYS 6 -3.555 9.545 -8.050 47 1HD LYS 6 2HD LYS 6 -3.674 9.005 -10.499 48 2HD LYS 6 1HD LYS 6 -2.726 7.847 -9.601 49 1HE LYS 6 2HE LYS 6 -4.953 6.433 -9.547 50 2HE LYS 6 1HE LYS 6 -5.428 7.490 -10.859 51 1HZ LYS 6 1HZ LYS 6 -2.706 6.685 -11.349 52 2HZ LYS 6 3HZ LYS 6 -3.457 5.379 -10.920 53 3HZ LYS 6 2HZ LYS 6 -4.004 6.224 -12.235 54 H LEU 7 H LEU 7 -1.499 8.360 -6.629 55 HA LEU 7 HA LEU 7 -1.047 7.484 -3.801 56 1HB LEU 7 2HB LEU 7 0.930 9.191 -5.373 57 2HB LEU 7 1HB LEU 7 1.245 8.037 -4.116 58 HG LEU 7 HG LEU 7 0.232 7.075 -6.826 59 1HD1 LEU 7 1HD1 LEU 7 3.096 7.467 -5.888 60 2HD1 LEU 7 3HD1 LEU 7 2.588 6.686 -7.368 61 3HD1 LEU 7 2HD1 LEU 7 2.294 8.390 -7.146 62 1HD2 LEU 7 2HD2 LEU 7 0.131 5.558 -4.833 63 2HD2 LEU 7 1HD2 LEU 7 1.278 4.998 -6.025 64 3HD2 LEU 7 3HD2 LEU 7 1.850 5.803 -4.578 65 H GLY 8 H GLY 8 -3.066 8.783 -3.679 66 1HA GLY 8 2HA GLY 8 -3.885 10.677 -2.387 67 2HA GLY 8 1HA GLY 8 -2.436 11.577 -2.814 68 H SER 9 H SER 9 -4.738 12.773 -2.852 69 HA SER 9 HA SER 9 -5.426 13.151 -5.759 70 1HB SER 9 2HB SER 9 -7.683 13.952 -4.957 71 2HB SER 9 1HB SER 9 -7.342 12.295 -4.423 72 HG SER 9 HG SER 9 -7.803 14.394 -2.842 73 H ASP 10 H ASP 10 -5.806 15.132 -2.898 74 HA ASP 10 HA ASP 10 -4.439 17.392 -4.310 75 1HB ASP 10 2HB ASP 10 -7.000 17.330 -4.368 76 2HB ASP 10 1HB ASP 10 -6.994 17.650 -2.650 77 H LYS 11 H LYS 11 -4.864 19.300 -2.246 78 HA LYS 11 HA LYS 11 -2.480 19.222 -0.763 79 1HB LYS 11 2HB LYS 11 -5.004 20.674 0.174 80 2HB LYS 11 1HB LYS 11 -3.376 21.100 0.605 81 1HG LYS 11 2HG LYS 11 -3.431 22.585 -1.089 82 2HG LYS 11 1HG LYS 11 -3.217 21.194 -2.148 83 1HD LYS 11 2HD LYS 11 -5.821 20.894 -1.975 84 2HD LYS 11 1HD LYS 11 -5.846 22.502 -1.294 85 1HE LYS 11 2HE LYS 11 -5.026 23.492 -3.275 86 2HE LYS 11 1HE LYS 11 -4.463 21.940 -3.907 87 1HZ LYS 11 1HZ LYS 11 -7.174 21.650 -3.249 88 2HZ LYS 11 3HZ LYS 11 -7.108 22.978 -4.307 89 3HZ LYS 11 2HZ LYS 11 -6.479 21.404 -4.636 90 H GLY 12 H GLY 12 -2.588 16.951 0.088 91 1HA GLY 12 2HA GLY 12 -2.092 16.192 2.489 92 2HA GLY 12 1HA GLY 12 -3.553 17.026 2.981 93 H LEU 13 H LEU 13 -4.765 15.950 0.478 94 HA LEU 13 HA LEU 13 -5.985 13.572 1.675 95 1HB LEU 13 2HB LEU 13 -6.215 14.920 -1.046 96 2HB LEU 13 1HB LEU 13 -7.179 13.533 -0.611 97 HG LEU 13 HG LEU 13 -8.201 14.880 1.270 98 1HD1 LEU 13 1HD1 LEU 13 -6.682 17.186 -0.051 99 2HD1 LEU 13 3HD1 LEU 13 -7.908 17.352 1.185 100 3HD1 LEU 13 2HD1 LEU 13 -6.393 16.600 1.582 101 1HD2 LEU 13 1HD2 LEU 13 -9.257 14.729 -0.995 102 2HD2 LEU 13 3HD2 LEU 13 -9.555 16.293 -0.262 103 3HD2 LEU 13 2HD2 LEU 13 -8.337 16.139 -1.510 104 H LEU 14 H LEU 14 -3.822 12.559 1.886 105 HA LEU 14 HA LEU 14 -2.693 11.369 -0.577 106 1HB LEU 14 2HB LEU 14 -1.796 11.336 2.322 107 2HB LEU 14 1HB LEU 14 -0.876 10.634 1.028 108 HG LEU 14 HG LEU 14 -1.638 13.589 1.220 109 1HD1 LEU 14 3HD1 LEU 14 1.035 12.139 1.510 110 2HD1 LEU 14 2HD1 LEU 14 0.812 13.877 1.566 111 3HD1 LEU 14 1HD1 LEU 14 0.129 12.867 2.824 112 1HD2 LEU 14 3HD2 LEU 14 0.154 12.089 -0.753 113 2HD2 LEU 14 2HD2 LEU 14 -1.408 12.789 -1.162 114 3HD2 LEU 14 1HD2 LEU 14 -0.090 13.819 -0.704 115 H VAL 15 H VAL 15 -4.817 10.148 -0.762 116 HA VAL 15 HA VAL 15 -4.747 7.578 0.769 117 HB VAL 15 HB VAL 15 -6.950 7.108 -0.361 118 1HG1 VAL 15 3HG1 VAL 15 -6.917 8.446 1.743 119 2HG1 VAL 15 2HG1 VAL 15 -6.771 9.922 0.811 120 3HG1 VAL 15 1HG1 VAL 15 -8.224 8.949 0.690 121 1HG2 VAL 15 3HG2 VAL 15 -6.493 8.314 -2.524 122 2HG2 VAL 15 2HG2 VAL 15 -7.988 8.835 -1.780 123 3HG2 VAL 15 1HG2 VAL 15 -6.565 9.852 -1.677 124 H PHE 16 H PHE 16 -5.026 5.567 -0.395 125 HA PHE 16 HA PHE 16 -3.338 5.418 -2.879 126 1HB PHE 16 2HB PHE 16 -3.284 4.067 -0.271 127 2HB PHE 16 1HB PHE 16 -3.345 2.903 -1.560 128 HD1 PHE 16 HD1 PHE 16 -1.597 6.244 -1.506 129 HD2 PHE 16 HD2 PHE 16 -1.280 2.034 -1.644 130 HE1 PHE 16 HE1 PHE 16 0.839 6.426 -1.829 131 HE2 PHE 16 HE2 PHE 16 1.143 2.189 -1.946 132 HZ PHE 16 HZ PHE 16 2.209 4.377 -2.039 133 H GLU 17 H GLU 17 -6.164 5.773 -3.103 134 HA GLU 17 HA GLU 17 -7.477 3.322 -3.613 135 1HB GLU 17 2HB GLU 17 -8.030 6.159 -4.370 136 2HB GLU 17 1HB GLU 17 -9.018 4.908 -5.083 137 1HG GLU 17 2HG GLU 17 -8.706 5.381 -2.053 138 2HG GLU 17 1HG GLU 17 -10.128 5.713 -3.011 139 HA PRO 18 HA PRO 18 -9.306 2.433 -5.048 140 1HB PRO 18 2HB PRO 18 -9.117 -0.132 -6.102 141 2HB PRO 18 1HB PRO 18 -9.897 1.230 -6.912 142 1HG PRO 18 2HG PRO 18 -6.957 0.351 -7.167 143 2HG PRO 18 1HG PRO 18 -8.128 0.529 -8.483 144 1HD PRO 18 2HD PRO 18 -6.530 2.580 -8.000 145 2HD PRO 18 1HD PRO 18 -8.257 2.964 -8.112 146 H ALA 19 H ALA 19 -6.140 1.755 -4.309 147 HA ALA 19 HA ALA 19 -5.024 0.836 -2.513 148 1HB ALA 19 2HB ALA 19 -6.632 2.222 -1.295 149 2HB ALA 19 1HB ALA 19 -7.808 0.935 -1.285 150 3HB ALA 19 3HB ALA 19 -6.314 0.758 -0.382 151 H LYS 20 H LYS 20 -7.921 -1.056 -2.974 152 HA LYS 20 HA LYS 20 -6.440 -3.565 -2.286 153 1HB LYS 20 2HB LYS 20 -8.795 -4.513 -1.943 154 2HB LYS 20 1HB LYS 20 -8.410 -3.233 -0.828 155 1HG LYS 20 2HG LYS 20 -9.901 -2.563 -3.389 156 2HG LYS 20 1HG LYS 20 -10.774 -3.298 -2.070 157 1HD LYS 20 2HD LYS 20 -10.356 -1.428 -0.585 158 2HD LYS 20 1HD LYS 20 -9.066 -0.793 -1.562 159 1HE LYS 20 2HE LYS 20 -11.004 -0.583 -3.410 160 2HE LYS 20 1HE LYS 20 -12.064 -0.647 -2.011 161 1HZ LYS 20 3HZ LYS 20 -9.877 1.187 -1.483 162 2HZ LYS 20 2HZ LYS 20 -10.416 1.504 -2.910 163 3HZ LYS 20 1HZ LYS 20 -11.471 1.664 -1.710 164 H LEU 21 H LEU 21 -5.527 -4.166 -4.124 165 HA LEU 21 HA LEU 21 -7.155 -4.246 -6.649 166 1HB LEU 21 2HB LEU 21 -4.973 -2.895 -6.452 167 2HB LEU 21 1HB LEU 21 -4.171 -4.432 -6.446 168 HG LEU 21 HG LEU 21 -5.666 -3.089 -8.716 169 1HD1 LEU 21 3HD1 LEU 21 -3.089 -4.661 -8.475 170 2HD1 LEU 21 2HD1 LEU 21 -3.670 -3.964 -9.956 171 3HD1 LEU 21 1HD1 LEU 21 -3.242 -2.933 -8.600 172 1HD2 LEU 21 1HD2 LEU 21 -5.317 -6.129 -8.676 173 2HD2 LEU 21 3HD2 LEU 21 -6.843 -5.299 -8.726 174 3HD2 LEU 21 2HD2 LEU 21 -5.754 -5.197 -10.069 175 H THR 22 H THR 22 -8.102 -6.264 -6.756 176 HA THR 22 HA THR 22 -6.515 -8.674 -6.196 177 HB THR 22 HB THR 22 -9.315 -8.492 -7.462 178 HG1 THR 22 HG1 THR 22 -9.215 -9.290 -4.939 179 1HG2 THR 22 3HG2 THR 22 -7.925 -10.668 -5.777 180 2HG2 THR 22 2HG2 THR 22 -9.530 -10.766 -6.501 181 3HG2 THR 22 1HG2 THR 22 -8.102 -10.788 -7.518 182 H ILE 23 H ILE 23 -4.822 -8.148 -7.770 183 HA ILE 23 HA ILE 23 -5.407 -8.392 -10.608 184 HB ILE 23 HB ILE 23 -2.928 -8.641 -10.960 185 1HG1 ILE 23 2HG1 ILE 23 -2.264 -8.162 -8.120 186 2HG1 ILE 23 1HG1 ILE 23 -2.690 -9.764 -8.585 187 1HG2 ILE 23 2HG2 ILE 23 -3.893 -6.342 -10.693 188 2HG2 ILE 23 1HG2 ILE 23 -3.439 -6.464 -9.002 189 3HG2 ILE 23 3HG2 ILE 23 -2.204 -6.464 -10.249 190 1HD1 ILE 23 2HD1 ILE 23 -0.516 -8.120 -9.964 191 2HD1 ILE 23 1HD1 ILE 23 -0.215 -9.424 -8.840 192 3HD1 ILE 23 3HD1 ILE 23 -0.977 -9.768 -10.365 193 H LYS 24 H LYS 24 -3.919 -10.048 -11.866 194 HA LYS 24 HA LYS 24 -4.540 -12.616 -10.580 195 1HB LYS 24 2HB LYS 24 -4.683 -13.554 -12.957 196 2HB LYS 24 1HB LYS 24 -5.760 -12.209 -12.704 197 1HG LYS 24 2HG LYS 24 -4.781 -11.942 -14.887 198 2HG LYS 24 1HG LYS 24 -4.158 -10.685 -13.858 199 1HD LYS 24 2HD LYS 24 -1.986 -11.717 -13.698 200 2HD LYS 24 1HD LYS 24 -2.572 -13.287 -14.177 201 1HE LYS 24 2HE LYS 24 -1.341 -12.457 -16.045 202 2HE LYS 24 1HE LYS 24 -3.010 -12.122 -16.504 203 1HZ LYS 24 1HZ LYS 24 -2.004 -10.023 -14.874 204 2HZ LYS 24 3HZ LYS 24 -0.925 -10.249 -16.107 205 3HZ LYS 24 2HZ LYS 24 -2.533 -9.820 -16.404 206 HA PRO 25 HA PRO 25 -0.202 -14.090 -10.419 207 1HB PRO 25 2HB PRO 25 -0.405 -16.130 -12.424 208 2HB PRO 25 1HB PRO 25 -0.565 -16.316 -10.679 209 1HG PRO 25 2HG PRO 25 -2.780 -15.802 -12.726 210 2HG PRO 25 1HG PRO 25 -2.781 -16.947 -11.381 211 1HD PRO 25 2HD PRO 25 -4.082 -14.686 -10.994 212 2HD PRO 25 1HD PRO 25 -2.913 -15.136 -9.729 213 H GLY 26 H GLY 26 0.282 -11.881 -11.360 214 1HA GLY 26 2HA GLY 26 2.209 -11.060 -12.692 215 2HA GLY 26 1HA GLY 26 1.871 -12.265 -13.912 216 H ASP 27 H ASP 27 0.229 -9.603 -12.342 217 HA ASP 27 HA ASP 27 -0.685 -8.518 -14.989 218 1HB ASP 27 2HB ASP 27 -2.213 -9.647 -12.843 219 2HB ASP 27 1HB ASP 27 -2.126 -7.947 -12.494 220 H THR 28 H THR 28 -0.853 -6.221 -15.126 221 HA THR 28 HA THR 28 1.156 -4.906 -13.446 222 HB THR 28 HB THR 28 -0.060 -3.717 -15.925 223 HG1 THR 28 HG1 THR 28 0.948 -5.357 -16.752 224 1HG2 THR 28 2HG2 THR 28 1.559 -2.262 -14.504 225 2HG2 THR 28 1HG2 THR 28 2.736 -3.560 -14.740 226 3HG2 THR 28 3HG2 THR 28 2.112 -2.676 -16.117 227 H VAL 29 H VAL 29 1.013 -3.076 -12.540 228 HA VAL 29 HA VAL 29 -1.569 -1.807 -11.873 229 HB VAL 29 HB VAL 29 -0.566 -3.163 -10.185 230 1HG1 VAL 29 2HG1 VAL 29 1.801 -2.605 -10.389 231 2HG1 VAL 29 1HG1 VAL 29 1.475 -0.938 -9.941 232 3HG1 VAL 29 3HG1 VAL 29 1.217 -2.228 -8.784 233 1HG2 VAL 29 2HG2 VAL 29 -2.227 -1.342 -9.683 234 2HG2 VAL 29 1HG2 VAL 29 -1.067 -1.499 -8.376 235 3HG2 VAL 29 3HG2 VAL 29 -0.915 -0.188 -9.524 236 H GLU 30 H GLU 30 -1.621 0.596 -11.894 237 HA GLU 30 HA GLU 30 0.796 2.034 -12.736 238 1HB GLU 30 2HB GLU 30 -0.885 2.019 -14.395 239 2HB GLU 30 1HB GLU 30 -2.139 2.358 -13.258 240 1HG GLU 30 2HG GLU 30 0.086 4.419 -13.762 241 2HG GLU 30 1HG GLU 30 -1.228 4.299 -14.895 242 H PHE 31 H PHE 31 1.601 3.335 -11.285 243 HA PHE 31 HA PHE 31 -0.012 4.264 -8.904 244 1HB PHE 31 2HB PHE 31 2.931 3.684 -9.180 245 2HB PHE 31 1HB PHE 31 2.280 4.450 -7.764 246 HD1 PHE 31 HD2 PHE 31 -0.108 2.933 -7.081 247 HD2 PHE 31 HD1 PHE 31 3.561 1.541 -8.701 248 HE1 PHE 31 HE2 PHE 31 -0.503 0.726 -6.077 249 HE2 PHE 31 HE1 PHE 31 3.176 -0.666 -7.702 250 HZ PHE 31 HZ PHE 31 1.139 -1.082 -6.381 251 H LEU 32 H LEU 32 -0.719 6.214 -10.084 252 HA LEU 32 HA LEU 32 1.343 8.232 -10.657 253 1HB LEU 32 2HB LEU 32 -0.685 7.690 -12.207 254 2HB LEU 32 1HB LEU 32 -1.654 8.563 -11.088 255 HG LEU 32 HG LEU 32 0.710 9.892 -12.457 256 1HD1 LEU 32 1HD1 LEU 32 -0.972 9.049 -14.108 257 2HD1 LEU 32 3HD1 LEU 32 -2.252 9.856 -13.219 258 3HD1 LEU 32 2HD1 LEU 32 -0.995 10.793 -14.004 259 1HD2 LEU 32 1HD2 LEU 32 -1.807 10.913 -11.058 260 2HD2 LEU 32 3HD2 LEU 32 -0.153 11.076 -10.471 261 3HD2 LEU 32 2HD2 LEU 32 -0.659 11.932 -11.877 262 H ASN 33 H ASN 33 1.750 10.038 -9.534 263 HA ASN 33 HA ASN 33 0.667 10.447 -6.828 264 1HB ASN 33 2HB ASN 33 2.552 11.935 -6.634 265 2HB ASN 33 1HB ASN 33 3.113 10.555 -7.603 266 1HD2 ASN 33 2HD2 ASN 33 3.698 14.044 -9.014 267 2HD2 ASN 33 1HD2 ASN 33 3.515 13.667 -7.364 268 H ASN 34 H ASN 34 -1.215 11.000 -8.819 269 HA ASN 34 HA ASN 34 -2.411 12.853 -9.900 270 1HB ASN 34 2HB ASN 34 -3.534 11.634 -7.871 271 2HB ASN 34 1HB ASN 34 -3.232 13.101 -6.969 272 1HD2 ASN 34 2HD2 ASN 34 -5.808 14.783 -8.649 273 2HD2 ASN 34 1HD2 ASN 34 -4.643 14.896 -7.415 274 H LYS 35 H LYS 35 -1.851 14.440 -6.753 275 HA LYS 35 HA LYS 35 -0.653 16.710 -8.249 276 1HB LYS 35 2HB LYS 35 -3.267 16.673 -7.998 277 2HB LYS 35 1HB LYS 35 -2.997 17.101 -6.335 278 1HG LYS 35 2HG LYS 35 -1.725 18.728 -8.543 279 2HG LYS 35 1HG LYS 35 -3.434 18.920 -8.206 280 1HD LYS 35 2HD LYS 35 -3.034 20.219 -6.357 281 2HD LYS 35 1HD LYS 35 -2.085 18.970 -5.637 282 1HE LYS 35 2HE LYS 35 -0.739 21.003 -5.841 283 2HE LYS 35 1HE LYS 35 -0.058 19.739 -6.856 284 1HZ LYS 35 2HZ LYS 35 -2.096 20.996 -8.306 285 2HZ LYS 35 1HZ LYS 35 -1.099 22.246 -7.725 286 3HZ LYS 35 3HZ LYS 35 -0.452 21.000 -8.679 287 H VAL 36 H VAL 36 0.331 14.849 -6.242 288 HA VAL 36 HA VAL 36 1.682 16.831 -4.493 289 HB VAL 36 HB VAL 36 0.292 14.361 -3.378 290 1HG1 VAL 36 1HG1 VAL 36 1.934 16.558 -2.008 291 2HG1 VAL 36 3HG1 VAL 36 1.056 15.327 -1.156 292 3HG1 VAL 36 2HG1 VAL 36 2.405 14.877 -2.161 293 1HG2 VAL 36 1HG2 VAL 36 -0.236 17.341 -2.927 294 2HG2 VAL 36 3HG2 VAL 36 -1.278 16.263 -3.832 295 3HG2 VAL 36 2HG2 VAL 36 -1.072 16.028 -2.118 296 HA PRO 37 HA PRO 37 5.036 13.766 -4.558 297 1HB PRO 37 2HB PRO 37 7.107 15.400 -4.276 298 2HB PRO 37 1HB PRO 37 6.054 15.591 -5.691 299 1HG PRO 37 2HG PRO 37 5.916 17.172 -3.055 300 2HG PRO 37 1HG PRO 37 5.952 17.815 -4.696 301 1HD PRO 37 2HD PRO 37 3.551 17.251 -3.234 302 2HD PRO 37 1HD PRO 37 3.640 17.445 -4.999 303 HA PRO 38 HA PRO 38 6.766 12.708 -4.121 304 1HB PRO 38 2HB PRO 38 9.193 12.233 -3.246 305 2HB PRO 38 1HB PRO 38 8.724 13.920 -3.483 306 1HG PRO 38 2HG PRO 38 8.864 12.379 -0.850 307 2HG PRO 38 1HG PRO 38 9.349 14.044 -1.168 308 1HD PRO 38 2HD PRO 38 6.776 13.129 -0.181 309 2HD PRO 38 1HD PRO 38 7.176 14.800 -0.630 310 H HIS 39 HN HIP 39 6.342 10.595 -4.483 311 HA HIS 39 HA HIP 39 5.798 8.819 -2.107 312 1HB HIS 39 2HB HIP 39 4.885 8.351 -4.962 313 2HB HIS 39 1HB HIP 39 4.249 7.585 -3.534 314 HD2 HIS 39 HD2 HIP 39 4.028 10.811 -5.596 315 HE1 HIS 39 HE1 HIP 39 1.127 11.147 -2.633 316 HE2 HIS 39 HE2 HIP 39 2.072 12.108 -4.680 317 H ASN 40 H ASN 40 7.497 7.464 -1.576 318 HA ASN 40 HA ASN 40 9.041 6.071 -3.745 319 1HB ASN 40 2HB ASN 40 10.018 7.591 -1.590 320 2HB ASN 40 1HB ASN 40 9.954 5.996 -0.858 321 1HD2 ASN 40 2HD2 ASN 40 13.020 5.340 -2.385 322 2HD2 ASN 40 1HD2 ASN 40 12.101 5.167 -0.945 323 H VAL 41 H VAL 41 7.819 4.084 -4.018 324 HA VAL 41 HA VAL 41 6.512 3.023 -1.545 325 HB VAL 41 HB VAL 41 5.179 1.591 -2.930 326 1HG1 VAL 41 2HG1 VAL 41 4.350 3.839 -2.334 327 2HG1 VAL 41 1HG1 VAL 41 5.137 4.544 -3.738 328 3HG1 VAL 41 3HG1 VAL 41 3.792 3.437 -3.947 329 1HG2 VAL 41 1HG2 VAL 41 6.672 1.380 -4.972 330 2HG2 VAL 41 3HG2 VAL 41 5.102 2.007 -5.436 331 3HG2 VAL 41 2HG2 VAL 41 6.471 3.089 -5.301 332 H VAL 42 H VAL 42 7.115 1.555 -0.497 333 HA VAL 42 HA VAL 42 8.987 -0.573 -1.478 334 HB VAL 42 HB VAL 42 8.585 0.534 1.291 335 1HG1 VAL 42 2HG1 VAL 42 10.776 -1.176 0.060 336 2HG1 VAL 42 1HG1 VAL 42 10.747 -0.557 1.716 337 3HG1 VAL 42 3HG1 VAL 42 9.565 -1.746 1.201 338 1HG2 VAL 42 2HG2 VAL 42 10.708 1.183 -0.814 339 2HG2 VAL 42 1HG2 VAL 42 9.484 2.291 -0.242 340 3HG2 VAL 42 3HG2 VAL 42 10.730 1.762 0.857 341 H PHE 43 H PHE 43 8.574 -2.768 -0.701 342 HA PHE 43 HA PHE 43 5.710 -3.357 -0.215 343 1HB PHE 43 2HB PHE 43 7.948 -4.777 -1.492 344 2HB PHE 43 1HB PHE 43 6.958 -5.796 -0.478 345 HD1 PHE 43 HD1 PHE 43 5.866 -2.841 -2.545 346 HD2 PHE 43 HD2 PHE 43 5.742 -7.044 -1.965 347 HE1 PHE 43 HE1 PHE 43 4.215 -3.031 -4.340 348 HE2 PHE 43 HE2 PHE 43 4.084 -7.239 -3.750 349 HZ PHE 43 HZ PHE 43 3.306 -5.227 -4.943 350 H ASP 44 H ASP 44 5.078 -4.936 1.424 351 HA ASP 44 HA ASP 44 6.741 -4.640 3.881 352 1HB ASP 44 2HB ASP 44 4.691 -4.562 4.987 353 2HB ASP 44 1HB ASP 44 4.161 -4.085 3.387 354 H ALA 45 H ALA 45 6.655 -6.233 5.516 355 HA ALA 45 HA ALA 45 7.309 -8.962 4.608 356 1HB ALA 45 3HB ALA 45 9.213 -7.688 5.295 357 2HB ALA 45 2HB ALA 45 8.480 -7.334 6.850 358 3HB ALA 45 1HB ALA 45 8.945 -8.981 6.449 359 H ALA 46 H ALA 46 4.762 -7.757 5.944 360 HA ALA 46 HA ALA 46 4.278 -9.760 8.119 361 1HB ALA 46 3HB ALA 46 3.092 -7.019 7.558 362 2HB ALA 46 2HB ALA 46 2.605 -8.059 8.894 363 3HB ALA 46 1HB ALA 46 4.240 -7.420 8.815 364 H LEU 47 H LEU 47 2.671 -8.093 5.496 365 HA LEU 47 HA LEU 47 0.509 -10.111 5.107 366 1HB LEU 47 2HB LEU 47 1.234 -7.502 3.779 367 2HB LEU 47 1HB LEU 47 -0.203 -8.384 3.380 368 HG LEU 47 HG LEU 47 -0.891 -6.502 4.775 369 1HD1 LEU 47 1HD1 LEU 47 -0.683 -8.904 6.620 370 2HD1 LEU 47 3HD1 LEU 47 -1.733 -7.526 6.876 371 3HD1 LEU 47 2HD1 LEU 47 -2.003 -8.597 5.524 372 1HD2 LEU 47 2HD2 LEU 47 1.353 -5.956 5.670 373 2HD2 LEU 47 1HD2 LEU 47 0.122 -5.955 6.923 374 3HD2 LEU 47 3HD2 LEU 47 1.209 -7.310 6.776 375 H ASN 48 H ASN 48 3.170 -10.762 4.787 376 HA ASN 48 HA ASN 48 3.721 -11.186 1.924 377 1HB ASN 48 2HB ASN 48 5.161 -9.889 3.491 378 2HB ASN 48 1HB ASN 48 5.441 -11.346 4.402 379 1HD2 ASN 48 2HD2 ASN 48 7.734 -10.549 1.428 380 2HD2 ASN 48 1HD2 ASN 48 6.730 -9.402 2.218 381 HA PRO 49 HA PRO 49 1.806 -15.320 3.014 382 1HB PRO 49 2HB PRO 49 2.372 -16.358 0.444 383 2HB PRO 49 1HB PRO 49 0.903 -15.505 0.895 384 1HG PRO 49 2HG PRO 49 3.469 -14.228 -0.206 385 2HG PRO 49 1HG PRO 49 1.843 -14.087 -0.863 386 1HD PRO 49 2HD PRO 49 2.579 -12.129 0.724 387 2HD PRO 49 1HD PRO 49 1.094 -12.939 1.253 388 H ALA 50 H ALA 50 4.884 -15.065 1.403 389 HA ALA 50 HA ALA 50 5.946 -17.417 2.966 390 1HB ALA 50 1HB ALA 50 6.050 -17.588 0.434 391 2HB ALA 50 3HB ALA 50 6.980 -16.087 0.400 392 3HB ALA 50 2HB ALA 50 7.661 -17.517 1.144 393 H LYS 51 H LYS 51 5.483 -15.037 4.149 394 HA LYS 51 HA LYS 51 6.607 -12.927 4.636 395 1HB LYS 51 2HB LYS 51 5.448 -14.719 6.125 396 2HB LYS 51 1HB LYS 51 7.047 -14.994 6.767 397 1HG LYS 51 2HG LYS 51 6.807 -12.155 6.670 398 2HG LYS 51 1HG LYS 51 5.166 -12.659 6.975 399 1HD LYS 51 2HD LYS 51 6.113 -12.429 9.076 400 2HD LYS 51 1HD LYS 51 6.073 -14.173 8.755 401 1HE LYS 51 2HE LYS 51 8.431 -14.215 8.124 402 2HE LYS 51 1HE LYS 51 8.537 -12.462 8.132 403 1HZ LYS 51 1HZ LYS 51 7.490 -13.310 10.614 404 2HZ LYS 51 3HZ LYS 51 8.883 -14.239 10.311 405 3HZ LYS 51 2HZ LYS 51 8.974 -12.542 10.333 406 H SER 52 H SER 52 8.346 -13.179 3.108 407 HA SER 52 HA SER 52 11.049 -13.588 4.291 408 1HB SER 52 2HB SER 52 10.687 -14.686 2.201 409 2HB SER 52 1HB SER 52 10.174 -13.190 1.416 410 HG SER 52 HG SER 52 12.318 -13.261 0.973 411 H ALA 53 H ALA 53 12.766 -12.245 3.706 412 HA ALA 53 HA ALA 53 12.144 -9.324 4.067 413 1HB ALA 53 2HB ALA 53 14.722 -10.972 4.568 414 2HB ALA 53 1HB ALA 53 14.540 -9.277 4.984 415 3HB ALA 53 3HB ALA 53 13.582 -10.490 5.810 416 H ASP 54 H ASP 54 12.976 -11.378 1.613 417 HA ASP 54 HA ASP 54 14.562 -9.373 0.193 418 1HB ASP 54 2HB ASP 54 15.144 -11.341 -1.066 419 2HB ASP 54 1HB ASP 54 14.400 -12.202 0.251 420 H LEU 55 H LEU 55 11.515 -11.112 -0.682 421 HA LEU 55 HA LEU 55 10.104 -9.604 -2.301 422 1HB LEU 55 2HB LEU 55 9.315 -11.051 0.192 423 2HB LEU 55 1HB LEU 55 8.087 -9.942 -0.388 424 HG LEU 55 HG LEU 55 7.720 -12.229 -1.234 425 1HD1 LEU 55 2HD1 LEU 55 7.058 -10.271 -2.680 426 2HD1 LEU 55 1HD1 LEU 55 8.629 -10.345 -3.459 427 3HD1 LEU 55 3HD1 LEU 55 7.515 -11.673 -3.629 428 1HD2 LEU 55 2HD2 LEU 55 10.423 -11.870 -2.611 429 2HD2 LEU 55 1HD2 LEU 55 10.073 -12.974 -1.309 430 3HD2 LEU 55 3HD2 LEU 55 9.320 -13.199 -2.867 431 H ALA 56 H ALA 56 9.863 -8.714 1.060 432 HA ALA 56 HA ALA 56 8.450 -6.401 1.159 433 1HB ALA 56 3HB ALA 56 11.196 -6.895 2.462 434 2HB ALA 56 2HB ALA 56 10.014 -5.699 3.016 435 3HB ALA 56 1HB ALA 56 9.640 -7.411 3.083 436 H LYS 57 H LYS 57 11.631 -6.576 -0.179 437 HA LYS 57 HA LYS 57 11.270 -3.819 -1.329 438 1HB LYS 57 2HB LYS 57 13.661 -3.495 -1.241 439 2HB LYS 57 1HB LYS 57 13.046 -3.928 0.330 440 1HG LYS 57 2HG LYS 57 13.804 -6.452 -0.520 441 2HG LYS 57 1HG LYS 57 14.701 -5.549 -1.691 442 1HD LYS 57 2HD LYS 57 16.091 -6.090 0.329 443 2HD LYS 57 1HD LYS 57 15.990 -4.379 -0.012 444 1HE LYS 57 2HE LYS 57 15.665 -4.945 2.421 445 2HE LYS 57 1HE LYS 57 14.336 -4.036 1.730 446 1HZ LYS 57 3HZ LYS 57 13.889 -6.804 1.229 447 2HZ LYS 57 2HZ LYS 57 14.222 -6.699 2.820 448 3HZ LYS 57 1HZ LYS 57 12.952 -5.778 2.165 449 H SER 58 H SER 58 12.783 -6.946 -1.908 450 HA SER 58 HA SER 58 13.615 -6.855 -4.513 451 1HB SER 58 2HB SER 58 12.042 -9.173 -3.299 452 2HB SER 58 1HB SER 58 13.273 -9.268 -4.560 453 HG SER 58 HG SER 58 14.090 -9.665 -2.513 454 H LEU 59 H LEU 59 10.384 -6.827 -3.440 455 HA LEU 59 HA LEU 59 9.284 -7.108 -6.188 456 1HB LEU 59 2HB LEU 59 8.506 -8.251 -3.840 457 2HB LEU 59 1HB LEU 59 7.602 -6.772 -3.695 458 HG LEU 59 HG LEU 59 6.136 -8.429 -4.697 459 1HD1 LEU 59 2HD1 LEU 59 6.001 -6.133 -5.679 460 2HD1 LEU 59 1HD1 LEU 59 7.161 -6.596 -6.900 461 3HD1 LEU 59 3HD1 LEU 59 5.606 -7.370 -6.860 462 1HD2 LEU 59 2HD2 LEU 59 7.917 -9.952 -5.564 463 2HD2 LEU 59 1HD2 LEU 59 6.734 -9.576 -6.805 464 3HD2 LEU 59 3HD2 LEU 59 8.298 -8.792 -6.821 465 H SER 60 H SER 60 9.419 -4.732 -3.458 466 HA SER 60 HA SER 60 7.960 -2.762 -5.097 467 1HB SER 60 2HB SER 60 8.264 -1.353 -3.140 468 2HB SER 60 1HB SER 60 7.803 -2.984 -2.659 469 HG SER 60 HG SER 60 10.443 -3.019 -2.998 470 H HIS 61 H HIS 61 9.328 -0.339 -4.482 471 HA HIS 61 HA HIS 61 11.910 -0.716 -5.958 472 1HB HIS 61 2HB HIS 61 9.873 1.511 -6.476 473 2HB HIS 61 1HB HIS 61 11.304 1.175 -7.438 474 HD1 HIS 61 HD1 HIS 61 10.541 -2.011 -7.407 475 HD2 HIS 61 HD2 HIS 61 8.239 1.084 -8.725 476 HE1 HIS 61 HE1 HIS 61 8.936 -2.976 -9.016 477 H LYS 62 H LYS 62 13.106 1.487 -5.982 478 HA LYS 62 HA LYS 62 12.966 2.653 -3.230 479 1HB LYS 62 2HB LYS 62 15.380 1.737 -4.831 480 2HB LYS 62 1HB LYS 62 15.581 2.894 -3.548 481 1HG LYS 62 2HG LYS 62 14.099 0.275 -2.993 482 2HG LYS 62 1HG LYS 62 15.844 0.297 -3.001 483 1HD LYS 62 2HD LYS 62 15.067 0.626 -0.679 484 2HD LYS 62 1HD LYS 62 15.847 2.093 -1.225 485 1HE LYS 62 2HE LYS 62 13.711 3.215 -1.504 486 2HE LYS 62 1HE LYS 62 12.820 1.722 -1.198 487 1HZ LYS 62 1HZ LYS 62 14.668 2.215 0.979 488 2HZ LYS 62 3HZ LYS 62 13.725 3.572 0.693 489 3HZ LYS 62 2HZ LYS 62 12.992 2.219 1.010 490 H GLN 63 H GLN 63 12.574 3.539 -6.245 491 HA GLN 63 HA GLN 63 13.695 6.258 -5.783 492 1HB GLN 63 2HB GLN 63 14.411 5.107 -7.902 493 2HB GLN 63 1HB GLN 63 12.732 4.856 -8.344 494 1HG GLN 63 2HG GLN 63 12.367 7.349 -8.476 495 2HG GLN 63 1HG GLN 63 14.053 7.625 -8.056 496 1HE2 GLN 63 2HE2 GLN 63 14.851 7.364 -11.438 497 2HE2 GLN 63 1HE2 GLN 63 15.226 8.096 -9.940 498 H LEU 64 H LEU 64 12.266 8.041 -6.094 499 HA LEU 64 HA LEU 64 9.405 7.326 -5.729 500 1HB LEU 64 2HB LEU 64 9.455 9.726 -4.537 501 2HB LEU 64 1HB LEU 64 9.951 8.273 -3.722 502 HG LEU 64 HG LEU 64 12.341 8.773 -4.220 503 1HD1 LEU 64 2HD1 LEU 64 11.206 11.398 -5.282 504 2HD1 LEU 64 1HD1 LEU 64 12.906 11.029 -5.087 505 3HD1 LEU 64 3HD1 LEU 64 11.957 10.171 -6.284 506 1HD2 LEU 64 2HD2 LEU 64 11.316 9.534 -2.119 507 2HD2 LEU 64 1HD2 LEU 64 12.521 10.676 -2.678 508 3HD2 LEU 64 3HD2 LEU 64 10.821 11.036 -2.881 509 H LEU 65 H LEU 65 7.810 8.466 -6.277 510 HA LEU 65 HA LEU 65 7.996 9.928 -8.870 511 1HB LEU 65 2HB LEU 65 5.580 8.788 -7.352 512 2HB LEU 65 1HB LEU 65 5.509 9.520 -8.939 513 HG LEU 65 HG LEU 65 7.087 7.712 -9.785 514 1HD1 LEU 65 1HD1 LEU 65 6.388 6.423 -7.094 515 2HD1 LEU 65 3HD1 LEU 65 7.151 5.606 -8.446 516 3HD1 LEU 65 2HD1 LEU 65 8.008 6.857 -7.611 517 1HD2 LEU 65 2HD2 LEU 65 4.643 7.661 -10.117 518 2HD2 LEU 65 1HD2 LEU 65 5.265 6.042 -9.882 519 3HD2 LEU 65 3HD2 LEU 65 4.433 6.858 -8.572 520 H MET 66 H MET 66 8.104 11.988 -8.772 521 HA MET 66 HA MET 66 6.964 13.573 -6.491 522 1HB MET 66 2HB MET 66 9.280 14.275 -8.341 523 2HB MET 66 1HB MET 66 8.759 15.197 -6.953 524 1HG MET 66 2HG MET 66 9.265 13.267 -5.478 525 2HG MET 66 1HG MET 66 9.778 12.329 -6.846 526 1HE MET 66 3HE MET 66 11.890 12.092 -7.707 527 2HE MET 66 2HE MET 66 11.811 13.640 -8.578 528 3HE MET 66 1HE MET 66 13.216 13.225 -7.607 529 H SER 67 H SER 67 7.639 14.020 -9.916 530 HA SER 67 HA SER 67 6.197 16.338 -10.486 531 1HB SER 67 2HB SER 67 6.566 14.157 -12.531 532 2HB SER 67 1HB SER 67 6.733 15.906 -12.711 533 HG SER 67 HG SER 67 8.566 14.121 -11.963 534 HA PRO 68 HA PRO 68 1.863 14.615 -9.793 535 1HB PRO 68 2HB PRO 68 0.938 17.125 -10.797 536 2HB PRO 68 1HB PRO 68 1.075 16.591 -9.119 537 1HG PRO 68 2HG PRO 68 3.188 18.068 -10.764 538 2HG PRO 68 1HG PRO 68 2.657 18.456 -9.120 539 1HD PRO 68 2HD PRO 68 4.880 17.085 -9.276 540 2HD PRO 68 1HD PRO 68 3.619 16.333 -8.280 541 H GLY 69 H GLY 69 2.011 13.011 -11.309 542 1HA GLY 69 2HA GLY 69 0.340 12.623 -13.406 543 2HA GLY 69 1HA GLY 69 1.427 13.743 -14.184 544 H GLN 70 H GLN 70 3.720 12.739 -12.870 545 HA GLN 70 HA GLN 70 4.530 10.737 -14.799 546 1HB GLN 70 2HB GLN 70 5.978 12.552 -14.014 547 2HB GLN 70 1HB GLN 70 5.813 12.012 -12.355 548 1HG GLN 70 2HG GLN 70 7.162 10.024 -12.741 549 2HG GLN 70 1HG GLN 70 7.121 10.225 -14.484 550 1HE2 GLN 70 2HE2 GLN 70 10.151 11.944 -14.210 551 2HE2 GLN 70 1HE2 GLN 70 9.267 10.735 -15.030 552 H SER 71 H SER 71 3.051 9.096 -14.386 553 HA SER 71 HA SER 71 3.238 7.507 -11.864 554 1HB SER 71 2HB SER 71 1.032 7.795 -13.127 555 2HB SER 71 1HB SER 71 1.680 6.690 -14.330 556 HG SER 71 HG SER 71 0.588 5.788 -12.204 557 H THR 72 H THR 72 3.563 5.322 -11.817 558 HA THR 72 HA THR 72 5.591 4.279 -13.829 559 HB THR 72 HB THR 72 6.649 4.479 -11.636 560 HG1 THR 72 HG1 THR 72 6.333 1.728 -11.815 561 1HG2 THR 72 3HG2 THR 72 4.683 2.274 -10.785 562 2HG2 THR 72 2HG2 THR 72 6.012 2.936 -9.836 563 3HG2 THR 72 1HG2 THR 72 4.607 3.929 -10.198 564 H SER 73 H SER 73 5.339 2.224 -14.593 565 HA SER 73 HA SER 73 2.745 0.789 -14.075 566 1HB SER 73 2HB SER 73 3.152 -0.199 -16.408 567 2HB SER 73 1HB SER 73 3.024 1.561 -16.435 568 HG SER 73 HG SER 73 5.541 0.312 -15.995 569 H THR 74 H THR 74 3.145 -0.724 -12.579 570 HA THR 74 HA THR 74 5.661 -2.386 -12.893 571 HB THR 74 HB THR 74 4.188 -1.825 -10.266 572 HG1 THR 74 HG1 THR 74 6.644 -0.890 -10.408 573 1HG2 THR 74 3HG2 THR 74 7.011 -2.870 -10.920 574 2HG2 THR 74 2HG2 THR 74 6.308 -2.708 -9.319 575 3HG2 THR 74 1HG2 THR 74 5.721 -3.946 -10.406 576 H THR 75 H THR 75 5.512 -4.527 -13.095 577 HA THR 75 HA THR 75 2.805 -5.841 -12.779 578 HB THR 75 HB THR 75 3.536 -5.904 -15.136 579 HG1 THR 75 HG1 THR 75 3.846 -8.543 -14.339 580 1HG2 THR 75 3HG2 THR 75 5.675 -7.847 -14.047 581 2HG2 THR 75 2HG2 THR 75 5.348 -7.458 -15.728 582 3HG2 THR 75 1HG2 THR 75 6.079 -6.259 -14.675 583 H PHE 76 H PHE 76 2.947 -8.100 -12.465 584 HA PHE 76 HA PHE 76 4.984 -8.990 -10.424 585 1HB PHE 76 2HB PHE 76 1.975 -9.533 -10.720 586 2HB PHE 76 1HB PHE 76 2.956 -10.369 -9.527 587 HD1 PHE 76 HD2 PHE 76 1.869 -7.016 -10.686 588 HD2 PHE 76 HD1 PHE 76 3.598 -9.223 -7.500 589 HE1 PHE 76 HE2 PHE 76 1.711 -5.045 -9.265 590 HE2 PHE 76 HE1 PHE 76 3.440 -7.245 -6.054 591 HZ PHE 76 HZ PHE 76 2.494 -5.145 -6.936 592 HA PRO 77 HA PRO 77 4.869 -12.678 -13.184 593 1HB PRO 77 2HB PRO 77 6.427 -14.398 -11.904 594 2HB PRO 77 1HB PRO 77 7.081 -12.808 -12.292 595 1HG PRO 77 2HG PRO 77 5.910 -13.781 -9.634 596 2HG PRO 77 1HG PRO 77 7.385 -12.857 -9.882 597 1HD PRO 77 2HD PRO 77 4.781 -11.733 -9.297 598 2HD PRO 77 1HD PRO 77 6.201 -10.807 -9.851 599 H ALA 78 H ALA 78 4.531 -15.217 -12.746 600 HA ALA 78 HA ALA 78 1.848 -15.489 -11.411 601 1HB ALA 78 1HB ALA 78 3.279 -17.140 -13.565 602 2HB ALA 78 3HB ALA 78 1.628 -17.424 -13.033 603 3HB ALA 78 2HB ALA 78 2.033 -15.946 -13.898 604 H ASP 79 H ASP 79 4.978 -16.401 -11.592 605 HA ASP 79 HA ASP 79 5.251 -18.734 -9.944 606 1HB ASP 79 2HB ASP 79 7.449 -16.815 -10.895 607 2HB ASP 79 1HB ASP 79 7.461 -18.564 -10.918 608 H ALA 80 H ALA 80 3.837 -17.105 -8.482 609 HA ALA 80 HA ALA 80 5.670 -16.006 -6.384 610 1HB ALA 80 3HB ALA 80 2.991 -14.915 -7.374 611 2HB ALA 80 2HB ALA 80 3.894 -14.187 -6.066 612 3HB ALA 80 1HB ALA 80 4.565 -14.213 -7.689 613 HA PRO 81 HA PRO 81 2.802 -17.977 -3.463 614 1HB PRO 81 2HB PRO 81 3.542 -16.890 -1.133 615 2HB PRO 81 1HB PRO 81 4.737 -17.794 -2.065 616 1HG PRO 81 2HG PRO 81 4.281 -14.738 -2.143 617 2HG PRO 81 1HG PRO 81 5.797 -15.569 -1.774 618 1HD PRO 81 2HD PRO 81 5.118 -14.702 -4.327 619 2HD PRO 81 1HD PRO 81 6.146 -16.132 -4.071 620 H ALA 82 H ALA 82 0.812 -17.546 -2.603 621 HA ALA 82 HA ALA 82 -1.127 -16.187 -3.531 622 1HB ALA 82 2HB ALA 82 -0.583 -16.380 -0.538 623 2HB ALA 82 1HB ALA 82 -2.163 -16.090 -1.272 624 3HB ALA 82 3HB ALA 82 -1.330 -17.580 -1.601 625 H GLY 83 H GLY 83 -2.379 -14.513 -3.565 626 1HA GLY 83 2HA GLY 83 -1.325 -11.910 -3.839 627 2HA GLY 83 1HA GLY 83 -3.028 -12.376 -3.801 628 H GLU 84 H GLU 84 -0.523 -12.006 -1.399 629 HA GLU 84 HA GLU 84 -2.540 -10.370 0.085 630 1HB GLU 84 2HB GLU 84 -1.290 -12.709 0.873 631 2HB GLU 84 1HB GLU 84 -0.501 -11.466 1.843 632 1HG GLU 84 2HG GLU 84 -3.553 -11.742 1.602 633 2HG GLU 84 1HG GLU 84 -2.610 -12.307 2.966 634 H TYR 85 H TYR 85 0.641 -10.097 -1.150 635 HA TYR 85 HA TYR 85 1.913 -8.353 0.683 636 1HB TYR 85 2HB TYR 85 2.640 -7.392 -1.965 637 2HB TYR 85 1HB TYR 85 3.584 -8.430 -0.929 638 HD1 TYR 85 HD2 TYR 85 2.800 -10.971 -0.952 639 HD2 TYR 85 HD1 TYR 85 2.052 -8.175 -4.042 640 HE1 TYR 85 HE2 TYR 85 2.487 -12.822 -2.569 641 HE2 TYR 85 HE1 TYR 85 1.757 -10.025 -5.637 642 HH TYR 85 HH TYR 85 1.874 -13.360 -4.552 643 H THR 86 H THR 86 2.202 -6.430 1.173 644 HA THR 86 HA THR 86 0.332 -4.328 0.212 645 HB THR 86 HB THR 86 1.688 -4.381 2.954 646 HG1 THR 86 HG1 THR 86 0.576 -6.084 3.017 647 1HG2 THR 86 3HG2 THR 86 0.379 -2.311 2.162 648 2HG2 THR 86 2HG2 THR 86 -1.016 -3.358 1.974 649 3HG2 THR 86 1HG2 THR 86 -0.307 -3.113 3.566 650 H PHE 87 H PHE 87 1.106 -2.458 -0.340 651 HA PHE 87 HA PHE 87 3.991 -1.962 -0.339 652 1HB PHE 87 2HB PHE 87 3.100 -0.326 -2.331 653 2HB PHE 87 1HB PHE 87 3.795 -1.916 -2.521 654 HD1 PHE 87 HD2 PHE 87 2.184 -3.895 -2.363 655 HD2 PHE 87 HD1 PHE 87 0.919 0.085 -3.099 656 HE1 PHE 87 HE2 PHE 87 0.132 -4.752 -3.266 657 HE2 PHE 87 HE1 PHE 87 -1.177 -0.750 -4.041 658 HZ PHE 87 HZ PHE 87 -1.607 -3.184 -4.146 659 H TYR 88 H TYR 88 4.633 -0.108 0.787 660 HA TYR 88 HA TYR 88 2.656 2.028 1.335 661 1HB TYR 88 2HB TYR 88 4.047 2.478 3.401 662 2HB TYR 88 1HB TYR 88 3.108 0.994 3.343 663 HD1 TYR 88 HD1 TYR 88 4.164 -1.152 2.849 664 HD2 TYR 88 HD2 TYR 88 6.495 2.371 3.370 665 HE1 TYR 88 HE1 TYR 88 6.157 -2.509 3.119 666 HE2 TYR 88 HE2 TYR 88 8.505 0.965 3.634 667 HH TYR 88 HH TYR 88 8.428 -2.429 3.034 668 H CYS 89 H CYS 89 3.258 4.199 1.062 669 HA CYS 89 HA CYS 89 5.535 4.860 -0.669 670 1HB CYS 89 2HB CYS 89 3.643 6.537 0.935 671 2HB CYS 89 1HB CYS 89 4.977 7.264 0.088 672 H GLU 90 H GLU 90 6.887 3.681 1.388 673 HA GLU 90 HA GLU 90 7.998 4.193 3.566 674 1HB GLU 90 2HB GLU 90 9.284 3.340 1.807 675 2HB GLU 90 1HB GLU 90 9.408 4.841 0.957 676 1HG GLU 90 2HG GLU 90 10.899 5.720 2.867 677 2HG GLU 90 1HG GLU 90 10.688 4.191 3.684 678 HA PRO 91 HA PRO 91 9.227 8.755 4.219 679 1HB PRO 91 2HB PRO 91 9.085 10.614 2.228 680 2HB PRO 91 1HB PRO 91 10.459 9.511 2.389 681 1HG PRO 91 2HG PRO 91 7.932 9.056 0.684 682 2HG PRO 91 1HG PRO 91 9.603 9.108 0.106 683 1HD PRO 91 2HD PRO 91 8.535 6.708 0.720 684 2HD PRO 91 1HD PRO 91 10.177 7.045 1.313 685 H HIS 92 HN HIP 92 6.390 8.291 2.363 686 HA HIS 92 HA HIP 92 4.845 10.501 3.617 687 1HB HIS 92 2HB HIP 92 4.258 8.400 1.517 688 2HB HIS 92 1HB HIP 92 2.913 9.242 2.232 689 HD2 HIS 92 HD2 HIP 92 4.790 12.178 2.135 690 HE1 HIS 92 HE1 HIP 92 3.952 11.741 -1.911 691 HE2 HIS 92 HE2 HIP 92 4.656 13.250 -0.184 692 H ARG 93 H ARG 93 5.491 9.407 5.679 693 HA ARG 93 HA ARG 93 3.769 7.122 6.487 694 1HB ARG 93 2HB ARG 93 6.164 7.301 7.139 695 2HB ARG 93 1HB ARG 93 5.836 8.789 7.992 696 1HG ARG 93 2HG ARG 93 4.388 7.594 9.633 697 2HG ARG 93 1HG ARG 93 4.551 6.095 8.723 698 1HD ARG 93 2HD ARG 93 7.013 6.129 9.086 699 2HD ARG 93 1HD ARG 93 6.869 7.623 10.004 700 HE ARG 93 HE ARG 93 5.419 5.084 10.880 701 1HH1 ARG 93 1HH2 ARG 93 4.914 7.452 12.271 702 2HH1 ARG 93 2HH2 ARG 93 5.925 7.349 13.674 703 1HH2 ARG 93 2HH1 ARG 93 7.803 4.966 11.991 704 2HH2 ARG 93 1HH1 ARG 93 7.710 5.815 13.498 705 H GLY 94 H GLY 94 2.282 7.228 8.259 706 1HA GLY 94 2HA GLY 94 0.688 8.333 9.756 707 2HA GLY 94 1HA GLY 94 1.361 9.886 9.269 708 H ALA 95 H ALA 95 1.052 10.099 6.776 709 HA ALA 95 HA ALA 95 -1.849 10.334 6.349 710 1HB ALA 95 3HB ALA 95 -0.266 12.177 5.826 711 2HB ALA 95 2HB ALA 95 0.568 11.147 4.669 712 3HB ALA 95 1HB ALA 95 -1.083 11.652 4.362 713 H GLY 96 H GLY 96 -1.899 8.074 6.488 714 1HA GLY 96 2HA GLY 96 -1.747 5.772 5.579 715 2HA GLY 96 1HA GLY 96 -3.227 6.479 5.024 716 H MET 97 H MET 97 0.001 6.811 3.702 717 HA MET 97 HA MET 97 -1.040 6.131 1.013 718 1HB MET 97 2HB MET 97 1.744 6.839 2.028 719 2HB MET 97 1HB MET 97 1.355 6.607 0.332 720 1HG MET 97 2HG MET 97 -0.603 8.402 1.318 721 2HG MET 97 1HG MET 97 0.845 8.918 2.075 722 1HE MET 97 2HE MET 97 -1.296 8.462 -0.610 723 2HE MET 97 1HE MET 97 -1.013 9.909 -1.543 724 3HE MET 97 3HE MET 97 -0.321 8.353 -2.054 725 H VAL 98 H VAL 98 -1.592 4.041 2.205 726 HA VAL 98 HA VAL 98 0.397 1.892 1.695 727 HB VAL 98 HB VAL 98 -0.915 0.650 3.357 728 1HG1 VAL 98 2HG1 VAL 98 1.255 1.821 3.895 729 2HG1 VAL 98 1HG1 VAL 98 0.364 3.290 4.227 730 3HG1 VAL 98 3HG1 VAL 98 0.162 1.886 5.264 731 1HG2 VAL 98 3HG2 VAL 98 -2.990 1.992 3.369 732 2HG2 VAL 98 2HG2 VAL 98 -2.270 1.950 4.966 733 3HG2 VAL 98 1HG2 VAL 98 -2.109 3.381 3.968 734 H GLY 99 H GLY 99 -0.099 0.432 0.071 735 1HA GLY 99 2HA GLY 99 -3.011 -0.118 -0.606 736 2HA GLY 99 1HA GLY 99 -1.789 0.005 -1.859 737 H LYS 100 H LYS 100 -3.487 -2.225 -1.494 738 HA LYS 100 HA LYS 100 -1.465 -4.357 -0.966 739 1HB LYS 100 2HB LYS 100 -2.936 -4.208 0.993 740 2HB LYS 100 1HB LYS 100 -4.367 -4.265 -0.026 741 1HG LYS 100 2HG LYS 100 -3.720 -6.581 -0.816 742 2HG LYS 100 1HG LYS 100 -2.289 -6.532 0.183 743 1HD LYS 100 2HD LYS 100 -5.139 -6.237 1.284 744 2HD LYS 100 1HD LYS 100 -4.365 -7.778 1.110 745 1HE LYS 100 2HE LYS 100 -3.292 -5.494 2.840 746 2HE LYS 100 1HE LYS 100 -4.172 -6.913 3.425 747 1HZ LYS 100 1HZ LYS 100 -2.269 -7.938 1.798 748 2HZ LYS 100 3HZ LYS 100 -1.389 -6.777 2.644 749 3HZ LYS 100 2HZ LYS 100 -2.251 -8.096 3.364 750 H ILE 101 H ILE 101 -1.374 -5.937 -2.373 751 HA ILE 101 HA ILE 101 -3.332 -5.949 -4.660 752 HB ILE 101 HB ILE 101 -0.702 -5.413 -4.924 753 1HG1 ILE 101 2HG1 ILE 101 -2.626 -6.848 -6.742 754 2HG1 ILE 101 1HG1 ILE 101 -2.223 -5.156 -6.652 755 1HG2 ILE 101 3HG2 ILE 101 -0.045 -7.735 -4.094 756 2HG2 ILE 101 2HG2 ILE 101 -0.888 -8.412 -5.477 757 3HG2 ILE 101 1HG2 ILE 101 0.523 -7.408 -5.725 758 1HD1 ILE 101 3HD1 ILE 101 0.077 -5.547 -7.459 759 2HD1 ILE 101 2HD1 ILE 101 -0.212 -7.265 -7.604 760 3HD1 ILE 101 1HD1 ILE 101 -1.050 -6.163 -8.638 761 H THR 102 H THR 102 -4.551 -7.688 -4.884 762 HA THR 102 HA THR 102 -3.757 -10.247 -3.607 763 HB THR 102 HB THR 102 -6.593 -9.178 -4.215 764 HG1 THR 102 HG1 THR 102 -4.972 -9.954 -2.014 765 1HG2 THR 102 1HG2 THR 102 -5.701 -11.760 -2.791 766 2HG2 THR 102 3HG2 THR 102 -7.341 -11.223 -3.086 767 3HG2 THR 102 2HG2 THR 102 -6.358 -11.811 -4.422 768 H VAL 103 H VAL 103 -2.597 -11.155 -4.972 769 HA VAL 103 HA VAL 103 -3.256 -11.357 -7.833 770 HB VAL 103 HB VAL 103 -1.133 -12.988 -6.410 771 1HG1 VAL 103 1HG1 VAL 103 -1.219 -11.724 -9.142 772 2HG1 VAL 103 3HG1 VAL 103 0.106 -12.674 -8.484 773 3HG1 VAL 103 2HG1 VAL 103 -1.455 -13.428 -8.757 774 1HG2 VAL 103 1HG2 VAL 103 -0.870 -10.064 -7.131 775 2HG2 VAL 103 3HG2 VAL 103 -0.771 -10.738 -5.528 776 3HG2 VAL 103 2HG2 VAL 103 0.442 -11.154 -6.711 777 H ALA 104 H ALA 104 -5.320 -12.193 -7.337 778 HA ALA 104 HA ALA 104 -6.779 -14.102 -6.719 779 1HB ALA 104 2HB ALA 104 -7.028 -13.098 -8.954 780 2HB ALA 104 1HB ALA 104 -5.765 -14.142 -9.578 781 3HB ALA 104 3HB ALA 104 -7.291 -14.837 -9.072 782 H GLY 105 HN GLY 105 -5.185 -15.177 -5.292 783 1HA GLY 105 2HA GLY 105 -5.388 -17.803 -4.955 784 2HA GLY 105 1HA GLY 105 -4.042 -17.746 -6.100 No H/Q in entry = 784 Start of MODEL 9 1 1H GLU 1 3H GLU 1 -5.559 -6.364 -15.011 2 2H GLU 1 2H GLU 1 -6.732 -6.854 -16.078 3 3H GLU 1 1H GLU 1 -5.196 -7.601 -16.053 4 HA GLU 1 HA GLU 1 -4.389 -6.130 -17.510 5 1HB GLU 1 2HB GLU 1 -6.164 -4.323 -18.355 6 2HB GLU 1 1HB GLU 1 -6.492 -6.004 -18.693 7 1HG GLU 1 2HG GLU 1 -7.734 -4.592 -16.254 8 2HG GLU 1 1HG GLU 1 -8.490 -4.579 -17.814 9 H THR 2 H THR 2 -3.313 -3.717 -17.293 10 HA THR 2 HA THR 2 -2.823 -3.157 -14.599 11 HB THR 2 HB THR 2 -1.420 -1.876 -16.330 12 HG1 THR 2 HG1 THR 2 -2.151 0.271 -15.290 13 1HG2 THR 2 2HG2 THR 2 -3.344 -1.270 -17.876 14 2HG2 THR 2 1HG2 THR 2 -3.848 -0.133 -16.629 15 3HG2 THR 2 3HG2 THR 2 -2.276 0.036 -17.385 16 H TYR 3 H TYR 3 -3.448 -2.208 -13.173 17 HA TYR 3 HA TYR 3 -6.114 -0.812 -13.107 18 1HB TYR 3 2HB TYR 3 -4.670 -2.446 -10.999 19 2HB TYR 3 1HB TYR 3 -6.224 -1.666 -10.722 20 HD1 TYR 3 HD2 TYR 3 -7.876 -2.069 -12.916 21 HD2 TYR 3 HD1 TYR 3 -4.862 -4.740 -11.549 22 HE1 TYR 3 HE2 TYR 3 -9.008 -3.930 -14.032 23 HE2 TYR 3 HE1 TYR 3 -6.030 -6.598 -12.669 24 HH TYR 3 HH TYR 3 -8.802 -5.877 -14.660 25 H THR 4 H THR 4 -5.012 1.062 -13.743 26 HA THR 4 HA THR 4 -2.863 2.435 -12.711 27 HB THR 4 HB THR 4 -5.468 3.881 -13.546 28 HG1 THR 4 HG1 THR 4 -3.734 2.512 -15.340 29 1HG2 THR 4 3HG2 THR 4 -2.630 4.032 -14.663 30 2HG2 THR 4 2HG2 THR 4 -3.982 5.044 -15.101 31 3HG2 THR 4 1HG2 THR 4 -3.292 5.164 -13.492 32 H VAL 5 H VAL 5 -2.939 1.884 -10.514 33 HA VAL 5 HA VAL 5 -4.593 2.974 -8.487 34 HB VAL 5 HB VAL 5 -1.659 2.109 -8.607 35 1HG1 VAL 5 2HG1 VAL 5 -1.824 3.782 -6.733 36 2HG1 VAL 5 1HG1 VAL 5 -3.160 2.877 -6.052 37 3HG1 VAL 5 3HG1 VAL 5 -1.568 2.155 -6.135 38 1HG2 VAL 5 2HG2 VAL 5 -3.436 0.357 -8.712 39 2HG2 VAL 5 1HG2 VAL 5 -2.488 0.225 -7.244 40 3HG2 VAL 5 3HG2 VAL 5 -4.090 0.944 -7.189 41 H LYS 6 H LYS 6 -4.490 4.781 -7.184 42 HA LYS 6 HA LYS 6 -2.753 7.063 -8.170 43 1HB LYS 6 2HB LYS 6 -5.656 7.146 -7.295 44 2HB LYS 6 1HB LYS 6 -4.730 8.570 -7.744 45 1HG LYS 6 2HG LYS 6 -4.545 7.858 -10.036 46 2HG LYS 6 1HG LYS 6 -4.990 6.212 -9.658 47 1HD LYS 6 2HD LYS 6 -7.277 7.327 -8.777 48 2HD LYS 6 1HD LYS 6 -6.794 8.691 -9.761 49 1HE LYS 6 2HE LYS 6 -8.323 7.155 -10.982 50 2HE LYS 6 1HE LYS 6 -6.737 7.183 -11.763 51 1HZ LYS 6 2HZ LYS 6 -6.642 5.382 -9.653 52 2HZ LYS 6 1HZ LYS 6 -8.001 4.946 -10.377 53 3HZ LYS 6 3HZ LYS 6 -6.484 4.929 -11.187 54 H LEU 7 H LEU 7 -1.545 8.070 -6.718 55 HA LEU 7 HA LEU 7 -2.172 7.784 -3.789 56 1HB LEU 7 2HB LEU 7 0.347 7.983 -3.493 57 2HB LEU 7 1HB LEU 7 -0.194 6.506 -4.248 58 HG LEU 7 HG LEU 7 0.462 8.762 -6.129 59 1HD1 LEU 7 3HD1 LEU 7 2.557 7.196 -4.556 60 2HD1 LEU 7 2HD1 LEU 7 2.881 8.274 -5.904 61 3HD1 LEU 7 1HD1 LEU 7 2.217 8.919 -4.417 62 1HD2 LEU 7 1HD2 LEU 7 1.253 5.807 -5.990 63 2HD2 LEU 7 3HD2 LEU 7 -0.134 6.421 -6.882 64 3HD2 LEU 7 2HD2 LEU 7 1.490 6.879 -7.360 65 H GLY 8 H GLY 8 -3.168 9.633 -3.347 66 1HA GLY 8 2HA GLY 8 -2.854 11.964 -2.411 67 2HA GLY 8 1HA GLY 8 -1.604 12.220 -3.615 68 H SER 9 H SER 9 -5.167 11.904 -3.300 69 HA SER 9 HA SER 9 -5.350 13.031 -6.085 70 1HB SER 9 2HB SER 9 -6.995 11.235 -5.365 71 2HB SER 9 1HB SER 9 -7.698 12.399 -4.226 72 HG SER 9 HG SER 9 -8.092 12.269 -6.850 73 H ASP 10 H ASP 10 -4.164 14.801 -5.149 74 HA ASP 10 HA ASP 10 -4.279 16.779 -3.618 75 1HB ASP 10 2HB ASP 10 -4.173 16.619 -6.617 76 2HB ASP 10 1HB ASP 10 -4.217 18.241 -5.959 77 H LYS 11 H LYS 11 -6.858 16.193 -3.182 78 HA LYS 11 HA LYS 11 -8.312 18.816 -3.463 79 1HB LYS 11 2HB LYS 11 -9.213 16.002 -3.595 80 2HB LYS 11 1HB LYS 11 -10.278 17.194 -2.900 81 1HG LYS 11 2HG LYS 11 -10.483 18.488 -4.783 82 2HG LYS 11 1HG LYS 11 -8.906 18.123 -5.421 83 1HD LYS 11 2HD LYS 11 -10.770 15.758 -5.262 84 2HD LYS 11 1HD LYS 11 -11.333 17.036 -6.305 85 1HE LYS 11 2HE LYS 11 -9.917 15.324 -7.490 86 2HE LYS 11 1HE LYS 11 -9.317 16.987 -7.617 87 1HZ LYS 11 2HZ LYS 11 -8.285 15.960 -5.254 88 2HZ LYS 11 1HZ LYS 11 -8.040 14.726 -6.311 89 3HZ LYS 11 3HZ LYS 11 -7.382 16.265 -6.619 90 H GLY 12 H GLY 12 -6.270 17.828 -1.498 91 1HA GLY 12 2HA GLY 12 -6.231 18.751 0.864 92 2HA GLY 12 1HA GLY 12 -7.808 18.047 1.093 93 H LEU 13 H LEU 13 -6.953 15.375 -0.065 94 HA LEU 13 HA LEU 13 -5.214 14.601 2.260 95 1HB LEU 13 2HB LEU 13 -7.541 13.054 1.079 96 2HB LEU 13 1HB LEU 13 -6.563 12.520 2.430 97 HG LEU 13 HG LEU 13 -8.244 15.068 2.435 98 1HD1 LEU 13 1HD1 LEU 13 -8.683 12.330 3.722 99 2HD1 LEU 13 3HD1 LEU 13 -9.710 13.737 3.925 100 3HD1 LEU 13 2HD1 LEU 13 -9.592 12.961 2.360 101 1HD2 LEU 13 2HD2 LEU 13 -6.792 13.552 4.665 102 2HD2 LEU 13 1HD2 LEU 13 -6.280 15.101 4.008 103 3HD2 LEU 13 3HD2 LEU 13 -7.792 14.977 4.868 104 H LEU 14 H LEU 14 -3.968 12.868 2.292 105 HA LEU 14 HA LEU 14 -2.655 12.106 -0.272 106 1HB LEU 14 2HB LEU 14 -1.912 11.836 2.679 107 2HB LEU 14 1HB LEU 14 -0.957 11.095 1.431 108 HG LEU 14 HG LEU 14 -1.542 14.097 1.453 109 1HD1 LEU 14 1HD1 LEU 14 0.893 12.526 2.457 110 2HD1 LEU 14 3HD1 LEU 14 0.751 14.271 2.406 111 3HD1 LEU 14 2HD1 LEU 14 -0.258 13.344 3.499 112 1HD2 LEU 14 2HD2 LEU 14 0.599 12.345 0.136 113 2HD2 LEU 14 1HD2 LEU 14 -0.769 13.027 -0.734 114 3HD2 LEU 14 3HD2 LEU 14 0.453 14.071 -0.051 115 H VAL 15 H VAL 15 -4.885 11.011 -0.456 116 HA VAL 15 HA VAL 15 -5.027 8.343 0.820 117 HB VAL 15 HB VAL 15 -7.227 8.160 -0.391 118 1HG1 VAL 15 2HG1 VAL 15 -6.785 10.825 1.023 119 2HG1 VAL 15 1HG1 VAL 15 -8.336 10.038 0.799 120 3HG1 VAL 15 3HG1 VAL 15 -7.116 9.301 1.820 121 1HG2 VAL 15 1HG2 VAL 15 -6.604 9.493 -2.428 122 2HG2 VAL 15 3HG2 VAL 15 -8.055 10.114 -1.666 123 3HG2 VAL 15 2HG2 VAL 15 -6.534 10.956 -1.452 124 H PHE 16 H PHE 16 -5.373 6.456 -0.229 125 HA PHE 16 HA PHE 16 -3.894 6.067 -2.795 126 1HB PHE 16 2HB PHE 16 -3.353 5.075 -0.242 127 2HB PHE 16 1HB PHE 16 -4.213 3.745 -0.962 128 HD1 PHE 16 HD2 PHE 16 -2.706 4.788 -3.881 129 HD2 PHE 16 HD1 PHE 16 -1.678 3.389 -0.013 130 HE1 PHE 16 HE2 PHE 16 -0.576 3.939 -4.745 131 HE2 PHE 16 HE1 PHE 16 0.456 2.546 -0.858 132 HZ PHE 16 HZ PHE 16 1.018 2.802 -3.216 133 H GLU 17 H GLU 17 -5.194 5.640 -4.406 134 HA GLU 17 HA GLU 17 -7.678 4.013 -3.984 135 1HB GLU 17 2HB GLU 17 -8.233 6.205 -4.671 136 2HB GLU 17 1HB GLU 17 -6.908 6.281 -5.805 137 1HG GLU 17 2HG GLU 17 -9.269 4.372 -6.290 138 2HG GLU 17 1HG GLU 17 -9.291 6.013 -6.858 139 HA PRO 18 HA PRO 18 -9.133 2.814 -4.910 140 1HB PRO 18 2HB PRO 18 -9.996 0.418 -5.718 141 2HB PRO 18 1HB PRO 18 -9.869 1.773 -6.855 142 1HG PRO 18 2HG PRO 18 -7.702 -0.364 -6.324 143 2HG PRO 18 1HG PRO 18 -8.498 -0.032 -7.867 144 1HD PRO 18 2HD PRO 18 -6.156 1.232 -7.313 145 2HD PRO 18 1HD PRO 18 -7.470 2.162 -8.048 146 H ALA 19 H ALA 19 -6.485 1.968 -3.778 147 HA ALA 19 HA ALA 19 -5.612 1.185 -1.760 148 1HB ALA 19 1HB ALA 19 -7.585 2.286 -0.819 149 2HB ALA 19 3HB ALA 19 -8.579 0.869 -1.079 150 3HB ALA 19 2HB ALA 19 -7.267 0.815 0.083 151 H LYS 20 H LYS 20 -8.218 -0.965 -2.624 152 HA LYS 20 HA LYS 20 -6.589 -3.413 -1.988 153 1HB LYS 20 2HB LYS 20 -8.836 -4.520 -1.713 154 2HB LYS 20 1HB LYS 20 -8.506 -3.236 -0.563 155 1HG LYS 20 2HG LYS 20 -9.876 -1.644 -1.808 156 2HG LYS 20 1HG LYS 20 -10.068 -2.741 -3.154 157 1HD LYS 20 2HD LYS 20 -11.252 -4.361 -1.624 158 2HD LYS 20 1HD LYS 20 -11.138 -3.174 -0.326 159 1HE LYS 20 2HE LYS 20 -12.406 -1.540 -1.706 160 2HE LYS 20 1HE LYS 20 -12.492 -2.711 -3.020 161 1HZ LYS 20 1HZ LYS 20 -13.299 -4.006 -0.639 162 2HZ LYS 20 3HZ LYS 20 -14.176 -2.561 -0.727 163 3HZ LYS 20 2HZ LYS 20 -14.256 -3.686 -1.995 164 H LEU 21 H LEU 21 -5.668 -4.144 -3.798 165 HA LEU 21 HA LEU 21 -7.269 -4.443 -6.282 166 1HB LEU 21 2HB LEU 21 -5.563 -2.827 -6.488 167 2HB LEU 21 1HB LEU 21 -4.389 -3.964 -5.882 168 HG LEU 21 HG LEU 21 -4.482 -5.376 -7.765 169 1HD1 LEU 21 3HD1 LEU 21 -6.930 -5.456 -8.305 170 2HD1 LEU 21 2HD1 LEU 21 -6.847 -3.838 -8.963 171 3HD1 LEU 21 1HD1 LEU 21 -5.990 -5.168 -9.702 172 1HD2 LEU 21 2HD2 LEU 21 -4.612 -2.505 -8.707 173 2HD2 LEU 21 1HD2 LEU 21 -3.191 -3.358 -8.112 174 3HD2 LEU 21 3HD2 LEU 21 -3.905 -3.797 -9.639 175 H THR 22 H THR 22 -7.944 -6.554 -6.600 176 HA THR 22 HA THR 22 -5.955 -8.776 -6.223 177 HB THR 22 HB THR 22 -8.910 -8.952 -7.136 178 HG1 THR 22 HG1 THR 22 -8.263 -10.015 -4.749 179 1HG2 THR 22 2HG2 THR 22 -6.982 -11.055 -5.945 180 2HG2 THR 22 1HG2 THR 22 -8.625 -11.335 -6.498 181 3HG2 THR 22 3HG2 THR 22 -7.358 -10.969 -7.655 182 H ILE 23 H ILE 23 -4.512 -8.150 -7.960 183 HA ILE 23 HA ILE 23 -5.673 -7.654 -10.596 184 HB ILE 23 HB ILE 23 -3.562 -7.205 -11.498 185 1HG1 ILE 23 2HG1 ILE 23 -2.350 -9.314 -11.037 186 2HG1 ILE 23 1HG1 ILE 23 -1.364 -7.921 -10.724 187 1HG2 ILE 23 3HG2 ILE 23 -4.005 -5.655 -9.843 188 2HG2 ILE 23 2HG2 ILE 23 -3.150 -6.566 -8.605 189 3HG2 ILE 23 1HG2 ILE 23 -2.263 -5.864 -9.959 190 1HD1 ILE 23 3HD1 ILE 23 -2.875 -9.440 -8.575 191 2HD1 ILE 23 2HD1 ILE 23 -1.157 -9.631 -8.929 192 3HD1 ILE 23 1HD1 ILE 23 -1.762 -8.112 -8.311 193 H LYS 24 H LYS 24 -4.584 -8.813 -12.511 194 HA LYS 24 HA LYS 24 -5.066 -11.576 -11.858 195 1HB LYS 24 2HB LYS 24 -4.924 -10.012 -14.468 196 2HB LYS 24 1HB LYS 24 -4.853 -11.741 -14.573 197 1HG LYS 24 2HG LYS 24 -7.124 -11.824 -14.563 198 2HG LYS 24 1HG LYS 24 -7.101 -11.259 -12.907 199 1HD LYS 24 2HD LYS 24 -7.557 -9.010 -13.465 200 2HD LYS 24 1HD LYS 24 -6.840 -9.137 -15.054 201 1HE LYS 24 2HE LYS 24 -8.716 -10.433 -15.905 202 2HE LYS 24 1HE LYS 24 -9.439 -10.532 -14.298 203 1HZ LYS 24 1HZ LYS 24 -8.896 -7.823 -14.837 204 2HZ LYS 24 3HZ LYS 24 -9.569 -8.341 -16.197 205 3HZ LYS 24 2HZ LYS 24 -10.415 -8.459 -14.744 206 HA PRO 25 HA PRO 25 -0.948 -12.655 -11.032 207 1HB PRO 25 2HB PRO 25 -0.587 -14.803 -12.923 208 2HB PRO 25 1HB PRO 25 -1.004 -14.911 -11.217 209 1HG PRO 25 2HG PRO 25 -2.877 -14.729 -13.623 210 2HG PRO 25 1HG PRO 25 -3.056 -15.738 -12.182 211 1HD PRO 25 2HD PRO 25 -4.530 -13.540 -12.315 212 2HD PRO 25 1HD PRO 25 -3.604 -13.753 -10.802 213 H GLY 26 H GLY 26 -0.102 -10.566 -11.780 214 1HA GLY 26 2HA GLY 26 2.295 -10.312 -12.918 215 2HA GLY 26 1HA GLY 26 1.473 -10.814 -14.350 216 H ASP 27 H ASP 27 -0.873 -9.385 -13.886 217 HA ASP 27 HA ASP 27 -0.979 -7.393 -15.438 218 1HB ASP 27 2HB ASP 27 -2.267 -8.126 -12.968 219 2HB ASP 27 1HB ASP 27 -2.292 -6.377 -13.039 220 H THR 28 H THR 28 -0.634 -5.526 -16.001 221 HA THR 28 HA THR 28 1.591 -3.987 -15.040 222 HB THR 28 HB THR 28 -0.492 -3.404 -17.141 223 HG1 THR 28 HG1 THR 28 2.067 -4.566 -16.831 224 1HG2 THR 28 1HG2 THR 28 2.458 -2.538 -16.893 225 2HG2 THR 28 3HG2 THR 28 1.380 -2.189 -18.235 226 3HG2 THR 28 2HG2 THR 28 1.157 -1.389 -16.708 227 H VAL 29 H VAL 29 -0.315 -3.980 -13.168 228 HA VAL 29 HA VAL 29 -1.738 -1.555 -12.714 229 HB VAL 29 HB VAL 29 -1.772 -3.435 -10.954 230 1HG1 VAL 29 2HG1 VAL 29 0.609 -4.178 -11.248 231 2HG1 VAL 29 1HG1 VAL 29 1.150 -2.711 -10.462 232 3HG1 VAL 29 3HG1 VAL 29 0.241 -3.887 -9.566 233 1HG2 VAL 29 2HG2 VAL 29 -2.209 -1.157 -10.039 234 2HG2 VAL 29 1HG2 VAL 29 -1.380 -2.161 -8.866 235 3HG2 VAL 29 3HG2 VAL 29 -0.497 -0.943 -9.746 236 H GLU 30 H GLU 30 -1.292 0.357 -13.048 237 HA GLU 30 HA GLU 30 1.405 1.407 -12.702 238 1HB GLU 30 2HB GLU 30 -1.061 2.797 -13.698 239 2HB GLU 30 1HB GLU 30 0.565 3.387 -13.841 240 1HG GLU 30 2HG GLU 30 1.120 1.912 -15.594 241 2HG GLU 30 1HG GLU 30 -0.112 0.733 -15.161 242 H PHE 31 H PHE 31 1.940 3.058 -11.409 243 HA PHE 31 HA PHE 31 0.036 3.848 -9.208 244 1HB PHE 31 2HB PHE 31 3.067 3.586 -9.241 245 2HB PHE 31 1HB PHE 31 2.179 4.240 -7.879 246 HD1 PHE 31 HD1 PHE 31 2.477 1.170 -10.031 247 HD2 PHE 31 HD2 PHE 31 1.138 2.771 -6.322 248 HE1 PHE 31 HE1 PHE 31 2.050 -1.081 -9.204 249 HE2 PHE 31 HE2 PHE 31 0.706 0.500 -5.496 250 HZ PHE 31 HZ PHE 31 1.160 -1.429 -6.939 251 H LEU 32 H LEU 32 -0.862 5.686 -10.055 252 HA LEU 32 HA LEU 32 0.659 7.770 -11.337 253 1HB LEU 32 2HB LEU 32 -2.218 7.337 -10.541 254 2HB LEU 32 1HB LEU 32 -1.733 8.916 -11.101 255 HG LEU 32 HG LEU 32 -2.699 7.383 -12.906 256 1HD1 LEU 32 2HD1 LEU 32 -1.209 9.313 -13.477 257 2HD1 LEU 32 1HD1 LEU 32 0.198 8.270 -13.320 258 3HD1 LEU 32 3HD1 LEU 32 -0.986 7.956 -14.565 259 1HD2 LEU 32 2HD2 LEU 32 -1.564 5.263 -12.138 260 2HD2 LEU 32 1HD2 LEU 32 -1.212 5.642 -13.813 261 3HD2 LEU 32 3HD2 LEU 32 -0.018 5.947 -12.598 262 H ASN 33 H ASN 33 1.708 9.201 -10.475 263 HA ASN 33 HA ASN 33 1.588 9.914 -7.613 264 1HB ASN 33 2HB ASN 33 3.705 9.481 -9.156 265 2HB ASN 33 1HB ASN 33 3.517 11.180 -9.573 266 1HD2 ASN 33 2HD2 ASN 33 4.868 12.128 -6.476 267 2HD2 ASN 33 1HD2 ASN 33 4.327 12.731 -7.955 268 H ASN 34 H ASN 34 1.435 11.888 -6.733 269 HA ASN 34 HA ASN 34 0.080 14.059 -8.324 270 1HB ASN 34 2HB ASN 34 -1.478 14.172 -6.596 271 2HB ASN 34 1HB ASN 34 -0.904 12.582 -6.166 272 1HD2 ASN 34 2HD2 ASN 34 -0.707 15.168 -3.373 273 2HD2 ASN 34 1HD2 ASN 34 -1.834 15.115 -4.649 274 H LYS 35 H LYS 35 0.411 16.164 -6.582 275 HA LYS 35 HA LYS 35 3.450 16.274 -6.331 276 1HB LYS 35 2HB LYS 35 3.339 18.713 -6.960 277 2HB LYS 35 1HB LYS 35 2.996 17.578 -8.218 278 1HG LYS 35 2HG LYS 35 1.611 19.485 -8.542 279 2HG LYS 35 1HG LYS 35 0.580 18.151 -8.109 280 1HD LYS 35 2HD LYS 35 1.576 19.978 -5.875 281 2HD LYS 35 1HD LYS 35 0.343 20.607 -6.952 282 1HE LYS 35 2HE LYS 35 -1.068 18.760 -6.587 283 2HE LYS 35 1HE LYS 35 0.130 17.913 -5.620 284 1HZ LYS 35 1HZ LYS 35 -0.300 20.489 -4.467 285 2HZ LYS 35 3HZ LYS 35 -1.793 19.643 -4.746 286 3HZ LYS 35 2HZ LYS 35 -0.651 18.901 -3.884 287 H VAL 36 H VAL 36 2.406 15.438 -4.277 288 HA VAL 36 HA VAL 36 2.726 17.539 -2.149 289 HB VAL 36 HB VAL 36 0.771 15.186 -2.066 290 1HG1 VAL 36 2HG1 VAL 36 1.221 17.553 -0.151 291 2HG1 VAL 36 1HG1 VAL 36 0.005 16.308 0.047 292 3HG1 VAL 36 3HG1 VAL 36 1.704 15.900 0.170 293 1HG2 VAL 36 3HG2 VAL 36 0.297 18.198 -2.255 294 2HG2 VAL 36 2HG2 VAL 36 0.039 17.046 -3.568 295 3HG2 VAL 36 1HG2 VAL 36 -0.971 16.983 -2.136 296 HA PRO 37 HA PRO 37 5.600 14.112 -2.591 297 1HB PRO 37 2HB PRO 37 7.961 15.387 -2.501 298 2HB PRO 37 1HB PRO 37 6.788 15.786 -3.766 299 1HG PRO 37 2HG PRO 37 7.136 17.174 -1.030 300 2HG PRO 37 1HG PRO 37 7.241 17.941 -2.617 301 1HD PRO 37 2HD PRO 37 4.888 17.909 -1.196 302 2HD PRO 37 1HD PRO 37 4.873 17.778 -2.972 303 HA PRO 38 HA PRO 38 7.465 13.102 -2.798 304 1HB PRO 38 2HB PRO 38 9.715 11.836 -2.306 305 2HB PRO 38 1HB PRO 38 9.649 13.567 -1.964 306 1HG PRO 38 2HG PRO 38 9.397 11.294 0.051 307 2HG PRO 38 1HG PRO 38 10.311 12.793 0.194 308 1HD PRO 38 2HD PRO 38 7.606 12.379 1.140 309 2HD PRO 38 1HD PRO 38 8.437 13.943 1.041 310 H HIS 39 HN HIP 39 7.083 11.031 -3.863 311 HA HIS 39 HA HIP 39 5.855 9.034 -1.972 312 1HB HIS 39 2HB HIP 39 5.085 9.476 -4.789 313 2HB HIS 39 1HB HIP 39 4.308 8.387 -3.676 314 HD2 HIS 39 HD2 HIP 39 3.575 11.547 -5.149 315 HE1 HIS 39 HE1 HIP 39 2.243 12.195 -1.284 316 HE2 HIS 39 HE2 HIP 39 2.204 12.942 -3.599 317 H ASN 40 H ASN 40 7.565 7.632 -1.618 318 HA ASN 40 HA ASN 40 8.271 5.821 -3.929 319 1HB ASN 40 2HB ASN 40 10.281 6.821 -2.684 320 2HB ASN 40 1HB ASN 40 9.662 6.122 -1.196 321 1HD2 ASN 40 2HD2 ASN 40 11.914 3.857 -3.463 322 2HD2 ASN 40 1HD2 ASN 40 11.717 5.524 -3.793 323 H VAL 41 H VAL 41 6.514 4.308 -3.879 324 HA VAL 41 HA VAL 41 5.730 3.367 -1.151 325 HB VAL 41 HB VAL 41 3.999 2.009 -2.257 326 1HG1 VAL 41 1HG1 VAL 41 4.087 4.978 -2.974 327 2HG1 VAL 41 3HG1 VAL 41 2.620 4.028 -2.995 328 3HG1 VAL 41 2HG1 VAL 41 3.483 4.244 -1.491 329 1HG2 VAL 41 2HG2 VAL 41 4.821 3.447 -4.821 330 2HG2 VAL 41 1HG2 VAL 41 4.969 1.709 -4.547 331 3HG2 VAL 41 3HG2 VAL 41 3.396 2.454 -4.635 332 H VAL 42 H VAL 42 6.699 1.924 -0.293 333 HA VAL 42 HA VAL 42 8.490 0.015 -1.609 334 HB VAL 42 HB VAL 42 7.876 0.545 1.280 335 1HG1 VAL 42 3HG1 VAL 42 10.135 -1.145 0.110 336 2HG1 VAL 42 2HG1 VAL 42 10.047 -0.576 1.777 337 3HG1 VAL 42 1HG1 VAL 42 8.827 -1.640 1.135 338 1HG2 VAL 42 3HG2 VAL 42 10.092 1.858 -0.345 339 2HG2 VAL 42 2HG2 VAL 42 8.728 2.547 0.441 340 3HG2 VAL 42 1HG2 VAL 42 9.972 1.804 1.402 341 H PHE 43 H PHE 43 8.247 -2.241 -1.405 342 HA PHE 43 HA PHE 43 5.471 -3.113 -0.937 343 1HB PHE 43 2HB PHE 43 7.630 -4.360 -2.518 344 2HB PHE 43 1HB PHE 43 6.439 -5.385 -1.785 345 HD1 PHE 43 HD2 PHE 43 5.807 -1.907 -3.181 346 HD2 PHE 43 HD1 PHE 43 5.195 -6.100 -3.516 347 HE1 PHE 43 HE2 PHE 43 4.207 -1.523 -5.001 348 HE2 PHE 43 HE1 PHE 43 3.589 -5.716 -5.315 349 HZ PHE 43 HZ PHE 43 3.091 -3.411 -6.071 350 H ASP 44 H ASP 44 4.945 -4.814 0.160 351 HA ASP 44 HA ASP 44 5.031 -5.302 2.644 352 1HB ASP 44 2HB ASP 44 4.595 -7.820 1.725 353 2HB ASP 44 1HB ASP 44 3.546 -6.485 1.361 354 H ALA 45 H ALA 45 7.787 -4.838 2.713 355 HA ALA 45 HA ALA 45 9.478 -7.102 3.093 356 1HB ALA 45 1HB ALA 45 9.413 -4.396 4.571 357 2HB ALA 45 3HB ALA 45 10.807 -5.469 4.520 358 3HB ALA 45 2HB ALA 45 10.231 -4.701 3.050 359 H ALA 46 H ALA 46 7.153 -5.676 5.003 360 HA ALA 46 HA ALA 46 7.491 -7.400 7.382 361 1HB ALA 46 1HB ALA 46 5.553 -5.128 6.737 362 2HB ALA 46 3HB ALA 46 5.686 -5.902 8.309 363 3HB ALA 46 2HB ALA 46 7.039 -5.004 7.648 364 H LEU 47 H LEU 47 4.972 -6.996 4.884 365 HA LEU 47 HA LEU 47 3.702 -9.563 5.788 366 1HB LEU 47 2HB LEU 47 2.341 -7.236 4.376 367 2HB LEU 47 1HB LEU 47 1.560 -8.692 4.893 368 HG LEU 47 HG LEU 47 0.897 -7.149 6.469 369 1HD1 LEU 47 2HD1 LEU 47 1.661 -9.196 7.524 370 2HD1 LEU 47 1HD1 LEU 47 3.277 -8.534 7.722 371 3HD1 LEU 47 3HD1 LEU 47 1.927 -7.820 8.581 372 1HD2 LEU 47 2HD2 LEU 47 2.423 -5.334 5.906 373 2HD2 LEU 47 1HD2 LEU 47 2.380 -5.582 7.641 374 3HD2 LEU 47 3HD2 LEU 47 3.743 -6.160 6.712 375 H ASN 48 H ASN 48 5.680 -10.006 3.765 376 HA ASN 48 HA ASN 48 3.934 -10.533 1.373 377 1HB ASN 48 2HB ASN 48 5.914 -10.296 0.008 378 2HB ASN 48 1HB ASN 48 6.055 -9.111 1.256 379 1HD2 ASN 48 2HD2 ASN 48 9.066 -10.197 2.380 380 2HD2 ASN 48 1HD2 ASN 48 7.820 -9.052 2.418 381 HA PRO 49 HA PRO 49 3.515 -14.809 1.758 382 1HB PRO 49 2HB PRO 49 4.136 -15.739 -0.813 383 2HB PRO 49 1HB PRO 49 2.618 -14.970 -0.379 384 1HG PRO 49 2HG PRO 49 5.131 -13.612 -1.527 385 2HG PRO 49 1HG PRO 49 3.470 -13.503 -2.112 386 1HD PRO 49 2HD PRO 49 4.343 -11.548 -0.556 387 2HD PRO 49 1HD PRO 49 2.759 -12.239 -0.144 388 H ALA 50 H ALA 50 6.492 -14.235 0.055 389 HA ALA 50 HA ALA 50 7.808 -16.505 1.534 390 1HB ALA 50 2HB ALA 50 7.844 -16.573 -0.999 391 2HB ALA 50 1HB ALA 50 8.624 -14.993 -1.014 392 3HB ALA 50 3HB ALA 50 9.470 -16.378 -0.353 393 H LYS 51 H LYS 51 7.189 -14.411 2.867 394 HA LYS 51 HA LYS 51 8.015 -12.235 3.651 395 1HB LYS 51 2HB LYS 51 7.344 -14.060 5.193 396 2HB LYS 51 1HB LYS 51 8.984 -14.667 5.191 397 1HG LYS 51 2HG LYS 51 8.353 -13.222 7.233 398 2HG LYS 51 1HG LYS 51 9.843 -12.822 6.417 399 1HD LYS 51 2HD LYS 51 8.944 -10.903 5.302 400 2HD LYS 51 1HD LYS 51 7.281 -11.380 5.541 401 1HE LYS 51 2HE LYS 51 9.194 -10.579 7.755 402 2HE LYS 51 1HE LYS 51 8.085 -9.465 6.960 403 1HZ LYS 51 2HZ LYS 51 6.693 -11.829 7.535 404 2HZ LYS 51 1HZ LYS 51 7.402 -11.317 8.998 405 3HZ LYS 51 3HZ LYS 51 6.380 -10.282 8.093 406 H SER 52 H SER 52 9.470 -11.897 1.887 407 HA SER 52 HA SER 52 12.372 -11.805 2.549 408 1HB SER 52 2HB SER 52 12.156 -12.689 0.421 409 2HB SER 52 1HB SER 52 10.729 -11.725 0.040 410 HG SER 52 HG SER 52 13.399 -11.120 -0.246 411 H ALA 53 H ALA 53 13.543 -9.929 1.757 412 HA ALA 53 HA ALA 53 12.261 -7.263 2.380 413 1HB ALA 53 2HB ALA 53 15.078 -8.304 3.104 414 2HB ALA 53 1HB ALA 53 14.475 -6.702 3.507 415 3HB ALA 53 3HB ALA 53 13.758 -8.128 4.246 416 H ASP 54 H ASP 54 14.985 -8.873 1.088 417 HA ASP 54 HA ASP 54 16.115 -7.210 -0.792 418 1HB ASP 54 2HB ASP 54 16.798 -9.606 -1.705 419 2HB ASP 54 1HB ASP 54 17.076 -9.378 0.015 420 H LEU 55 H LEU 55 13.592 -9.615 -1.449 421 HA LEU 55 HA LEU 55 12.998 -8.727 -4.124 422 1HB LEU 55 2HB LEU 55 12.500 -10.994 -3.132 423 2HB LEU 55 1HB LEU 55 11.343 -10.282 -2.059 424 HG LEU 55 HG LEU 55 10.274 -11.471 -3.980 425 1HD1 LEU 55 2HD1 LEU 55 9.038 -9.563 -2.919 426 2HD1 LEU 55 1HD1 LEU 55 9.729 -8.459 -4.095 427 3HD1 LEU 55 3HD1 LEU 55 8.667 -9.738 -4.617 428 1HD2 LEU 55 3HD2 LEU 55 11.980 -10.946 -5.689 429 2HD2 LEU 55 2HD2 LEU 55 10.381 -10.468 -6.227 430 3HD2 LEU 55 1HD2 LEU 55 11.511 -9.252 -5.659 431 H ALA 56 H ALA 56 11.141 -8.412 -1.177 432 HA ALA 56 HA ALA 56 9.102 -6.667 -1.685 433 1HB ALA 56 1HB ALA 56 9.715 -7.515 0.561 434 2HB ALA 56 3HB ALA 56 11.077 -6.418 0.652 435 3HB ALA 56 2HB ALA 56 9.442 -5.795 0.650 436 H LYS 57 H LYS 57 12.378 -5.403 -1.156 437 HA LYS 57 HA LYS 57 11.525 -2.787 -2.320 438 1HB LYS 57 2HB LYS 57 13.902 -3.854 -0.728 439 2HB LYS 57 1HB LYS 57 14.273 -2.483 -1.729 440 1HG LYS 57 2HG LYS 57 11.818 -2.259 0.027 441 2HG LYS 57 1HG LYS 57 13.349 -2.316 0.847 442 1HD LYS 57 2HD LYS 57 12.813 0.086 0.374 443 2HD LYS 57 1HD LYS 57 14.251 -0.409 -0.469 444 1HE LYS 57 2HE LYS 57 13.144 0.806 -2.097 445 2HE LYS 57 1HE LYS 57 12.679 -0.827 -2.531 446 1HZ LYS 57 1HZ LYS 57 10.889 0.276 -0.539 447 2HZ LYS 57 3HZ LYS 57 10.978 1.260 -1.906 448 3HZ LYS 57 2HZ LYS 57 10.543 -0.348 -2.083 449 H SER 58 H SER 58 13.745 -5.362 -3.264 450 HA SER 58 HA SER 58 14.943 -4.186 -5.553 451 1HB SER 58 2HB SER 58 15.428 -6.554 -4.851 452 2HB SER 58 1HB SER 58 13.800 -7.031 -5.366 453 HG SER 58 HG SER 58 14.615 -6.990 -7.397 454 H LEU 59 H LEU 59 11.834 -5.391 -4.939 455 HA LEU 59 HA LEU 59 10.672 -4.902 -7.577 456 1HB LEU 59 2HB LEU 59 10.126 -6.894 -6.225 457 2HB LEU 59 1HB LEU 59 9.576 -5.901 -4.905 458 HG LEU 59 HG LEU 59 7.712 -5.014 -6.368 459 1HD1 LEU 59 1HD1 LEU 59 8.730 -7.176 -8.279 460 2HD1 LEU 59 3HD1 LEU 59 7.264 -6.230 -8.474 461 3HD1 LEU 59 2HD1 LEU 59 8.822 -5.448 -8.591 462 1HD2 LEU 59 2HD2 LEU 59 7.943 -8.049 -6.137 463 2HD2 LEU 59 1HD2 LEU 59 7.413 -6.976 -4.853 464 3HD2 LEU 59 3HD2 LEU 59 6.454 -7.142 -6.303 465 H SER 60 H SER 60 9.425 -3.620 -4.266 466 HA SER 60 HA SER 60 7.939 -1.614 -5.568 467 1HB SER 60 2HB SER 60 7.736 -0.734 -3.331 468 2HB SER 60 1HB SER 60 7.745 -2.489 -3.359 469 HG SER 60 HG SER 60 9.728 -2.602 -2.686 470 H HIS 61 H HIS 61 8.202 0.839 -4.713 471 HA HIS 61 HA HIS 61 10.038 2.039 -6.468 472 1HB HIS 61 2HB HIS 61 8.660 3.086 -3.968 473 2HB HIS 61 1HB HIS 61 9.612 4.140 -5.015 474 HD1 HIS 61 HD1 HIS 61 6.742 1.845 -5.252 475 HD2 HIS 61 HD2 HIS 61 8.317 4.984 -7.293 476 HE1 HIS 61 HE1 HIS 61 5.116 2.393 -7.109 477 H LYS 62 H LYS 62 11.968 2.939 -6.352 478 HA LYS 62 HA LYS 62 13.727 2.281 -3.996 479 1HB LYS 62 2HB LYS 62 14.217 2.189 -6.987 480 2HB LYS 62 1HB LYS 62 15.512 2.119 -5.807 481 1HG LYS 62 2HG LYS 62 14.716 0.089 -4.781 482 2HG LYS 62 1HG LYS 62 13.106 0.232 -5.433 483 1HD LYS 62 2HD LYS 62 15.446 -0.192 -7.335 484 2HD LYS 62 1HD LYS 62 14.856 -1.552 -6.417 485 1HE LYS 62 2HE LYS 62 13.056 0.139 -8.193 486 2HE LYS 62 1HE LYS 62 13.853 -1.339 -8.720 487 1HZ LYS 62 2HZ LYS 62 12.588 -1.875 -6.217 488 2HZ LYS 62 1HZ LYS 62 11.435 -1.201 -7.192 489 3HZ LYS 62 3HZ LYS 62 12.264 -2.539 -7.695 490 H GLN 63 H GLN 63 13.187 4.786 -6.412 491 HA GLN 63 HA GLN 63 15.048 6.512 -4.859 492 1HB GLN 63 2HB GLN 63 14.007 6.696 -7.734 493 2HB GLN 63 1HB GLN 63 15.050 7.903 -7.016 494 1HG GLN 63 2HG GLN 63 16.850 6.196 -6.648 495 2HG GLN 63 1HG GLN 63 15.795 4.915 -7.200 496 1HE2 GLN 63 2HE2 GLN 63 17.893 6.707 -9.932 497 2HE2 GLN 63 1HE2 GLN 63 18.296 6.828 -8.277 498 H LEU 64 H LEU 64 14.225 9.053 -5.053 499 HA LEU 64 HA LEU 64 11.618 9.100 -3.726 500 1HB LEU 64 2HB LEU 64 13.805 11.104 -4.280 501 2HB LEU 64 1HB LEU 64 12.319 11.581 -3.519 502 HG LEU 64 HG LEU 64 14.308 11.038 -2.017 503 1HD1 LEU 64 1HD1 LEU 64 11.946 11.229 -1.180 504 2HD1 LEU 64 3HD1 LEU 64 11.657 9.541 -1.572 505 3HD1 LEU 64 2HD1 LEU 64 12.788 9.968 -0.305 506 1HD2 LEU 64 1HD2 LEU 64 15.041 8.909 -2.982 507 2HD2 LEU 64 3HD2 LEU 64 14.604 8.719 -1.301 508 3HD2 LEU 64 2HD2 LEU 64 13.513 8.156 -2.539 509 H LEU 65 H LEU 65 9.852 8.975 -5.007 510 HA LEU 65 HA LEU 65 9.662 10.172 -7.628 511 1HB LEU 65 2HB LEU 65 8.248 8.239 -6.440 512 2HB LEU 65 1HB LEU 65 7.234 9.554 -5.920 513 HG LEU 65 HG LEU 65 6.202 8.793 -7.871 514 1HD1 LEU 65 1HD1 LEU 65 6.557 11.277 -7.968 515 2HD1 LEU 65 3HD1 LEU 65 8.010 11.017 -8.924 516 3HD1 LEU 65 2HD1 LEU 65 6.445 10.544 -9.555 517 1HD2 LEU 65 1HD2 LEU 65 8.960 8.705 -9.185 518 2HD2 LEU 65 3HD2 LEU 65 8.024 7.332 -8.626 519 3HD2 LEU 65 2HD2 LEU 65 7.451 8.285 -9.970 520 H MET 66 H MET 66 10.225 12.220 -7.516 521 HA MET 66 HA MET 66 8.588 14.272 -6.048 522 1HB MET 66 2HB MET 66 11.326 14.258 -7.259 523 2HB MET 66 1HB MET 66 10.552 15.724 -6.670 524 1HG MET 66 2HG MET 66 11.090 13.238 -4.992 525 2HG MET 66 1HG MET 66 12.072 14.675 -4.946 526 1HE MET 66 2HE MET 66 10.730 17.106 -4.685 527 2HE MET 66 1HE MET 66 10.149 17.246 -3.043 528 3HE MET 66 3HE MET 66 11.750 16.582 -3.322 529 H SER 67 H SER 67 7.799 13.072 -8.407 530 HA SER 67 HA SER 67 7.637 15.348 -10.397 531 1HB SER 67 2HB SER 67 7.174 12.440 -10.838 532 2HB SER 67 1HB SER 67 7.044 13.647 -12.121 533 HG SER 67 HG SER 67 9.364 13.979 -10.719 534 HA PRO 68 HA PRO 68 3.061 14.909 -10.302 535 1HB PRO 68 2HB PRO 68 2.434 15.734 -12.836 536 2HB PRO 68 1HB PRO 68 2.970 16.892 -11.611 537 1HG PRO 68 2HG PRO 68 4.751 15.402 -13.647 538 2HG PRO 68 1HG PRO 68 4.585 17.155 -13.486 539 1HD PRO 68 2HD PRO 68 6.601 15.919 -12.209 540 2HD PRO 68 1HD PRO 68 5.683 17.147 -11.303 541 H GLY 69 H GLY 69 1.502 13.674 -11.682 542 1HA GLY 69 2HA GLY 69 1.202 11.170 -11.761 543 2HA GLY 69 1HA GLY 69 1.001 11.906 -13.306 544 H GLN 70 H GLN 70 3.970 10.735 -11.704 545 HA GLN 70 HA GLN 70 5.022 9.587 -14.136 546 1HB GLN 70 2HB GLN 70 5.662 8.993 -11.204 547 2HB GLN 70 1HB GLN 70 6.590 8.358 -12.543 548 1HG GLN 70 2HG GLN 70 6.148 11.352 -12.240 549 2HG GLN 70 1HG GLN 70 7.522 10.530 -11.501 550 1HE2 GLN 70 2HE2 GLN 70 9.027 11.607 -14.479 551 2HE2 GLN 70 1HE2 GLN 70 8.739 12.111 -12.870 552 H SER 71 H SER 71 3.029 8.493 -14.825 553 HA SER 71 HA SER 71 2.002 6.142 -13.534 554 1HB SER 71 2HB SER 71 0.958 7.466 -15.534 555 2HB SER 71 1HB SER 71 1.904 6.359 -16.558 556 HG SER 71 HG SER 71 0.439 4.795 -15.933 557 H THR 72 H THR 72 3.808 5.103 -12.868 558 HA THR 72 HA THR 72 5.201 3.318 -14.874 559 HB THR 72 HB THR 72 6.798 4.654 -13.461 560 HG1 THR 72 HG1 THR 72 7.099 2.246 -12.270 561 1HG2 THR 72 2HG2 THR 72 5.606 3.012 -11.136 562 2HG2 THR 72 1HG2 THR 72 6.955 4.136 -11.047 563 3HG2 THR 72 3HG2 THR 72 5.332 4.733 -11.329 564 H SER 73 H SER 73 5.106 1.055 -14.496 565 HA SER 73 HA SER 73 3.005 0.259 -12.501 566 1HB SER 73 2HB SER 73 2.269 -1.464 -13.896 567 2HB SER 73 1HB SER 73 2.508 -0.088 -14.978 568 HG SER 73 HG SER 73 3.736 -2.448 -15.214 569 H THR 74 H THR 74 2.929 -1.850 -11.758 570 HA THR 74 HA THR 74 5.677 -3.005 -11.124 571 HB THR 74 HB THR 74 3.163 -3.382 -9.359 572 HG1 THR 74 HG1 THR 74 4.857 -1.282 -9.800 573 1HG2 THR 74 1HG2 THR 74 6.179 -3.383 -8.789 574 2HG2 THR 74 3HG2 THR 74 4.896 -3.815 -7.678 575 3HG2 THR 74 2HG2 THR 74 5.265 -4.869 -9.033 576 H THR 75 H THR 75 4.568 -3.652 -13.463 577 HA THR 75 HA THR 75 2.848 -5.900 -13.655 578 HB THR 75 HB THR 75 5.283 -5.575 -15.509 579 HG1 THR 75 HG1 THR 75 4.266 -3.990 -16.438 580 1HG2 THR 75 3HG2 THR 75 2.343 -6.315 -15.965 581 2HG2 THR 75 2HG2 THR 75 3.603 -6.326 -17.191 582 3HG2 THR 75 1HG2 THR 75 3.637 -7.482 -15.869 583 H PHE 76 H PHE 76 3.403 -7.118 -11.820 584 HA PHE 76 HA PHE 76 5.641 -8.445 -11.058 585 1HB PHE 76 2HB PHE 76 2.853 -9.672 -11.209 586 2HB PHE 76 1HB PHE 76 4.126 -10.195 -10.124 587 HD1 PHE 76 HD1 PHE 76 5.107 -8.422 -8.542 588 HD2 PHE 76 HD2 PHE 76 1.492 -7.839 -10.694 589 HE1 PHE 76 HE1 PHE 76 4.487 -6.613 -6.995 590 HE2 PHE 76 HE2 PHE 76 0.868 -6.051 -9.173 591 HZ PHE 76 HZ PHE 76 2.357 -5.418 -7.305 592 HA PRO 77 HA PRO 77 7.025 -10.515 -14.628 593 1HB PRO 77 2HB PRO 77 9.308 -11.692 -13.642 594 2HB PRO 77 1HB PRO 77 9.141 -9.926 -13.738 595 1HG PRO 77 2HG PRO 77 8.407 -11.763 -11.369 596 2HG PRO 77 1HG PRO 77 9.588 -10.459 -11.340 597 1HD PRO 77 2HD PRO 77 7.061 -10.043 -10.546 598 2HD PRO 77 1HD PRO 77 7.815 -8.797 -11.585 599 H ALA 78 H ALA 78 7.930 -12.614 -15.353 600 HA ALA 78 HA ALA 78 6.241 -14.588 -15.894 601 1HB ALA 78 3HB ALA 78 8.560 -14.471 -16.723 602 2HB ALA 78 2HB ALA 78 9.163 -14.963 -15.142 603 3HB ALA 78 1HB ALA 78 8.249 -16.095 -16.125 604 H ASP 79 H ASP 79 7.503 -14.489 -12.735 605 HA ASP 79 HA ASP 79 6.535 -17.125 -11.895 606 1HB ASP 79 2HB ASP 79 7.833 -16.296 -9.787 607 2HB ASP 79 1HB ASP 79 8.796 -16.364 -11.257 608 H ALA 80 H ALA 80 5.739 -13.853 -11.397 609 HA ALA 80 HA ALA 80 4.248 -12.829 -9.786 610 1HB ALA 80 3HB ALA 80 3.539 -12.680 -12.138 611 2HB ALA 80 2HB ALA 80 2.721 -14.224 -12.010 612 3HB ALA 80 1HB ALA 80 2.101 -12.841 -11.126 613 HA PRO 81 HA PRO 81 2.849 -16.624 -7.409 614 1HB PRO 81 2HB PRO 81 4.237 -16.090 -5.074 615 2HB PRO 81 1HB PRO 81 4.981 -16.919 -6.454 616 1HG PRO 81 2HG PRO 81 4.994 -13.869 -5.932 617 2HG PRO 81 1HG PRO 81 6.415 -14.918 -6.098 618 1HD PRO 81 2HD PRO 81 5.560 -13.649 -8.268 619 2HD PRO 81 1HD PRO 81 5.909 -15.374 -8.431 620 H ALA 82 H ALA 82 1.643 -16.665 -5.322 621 HA ALA 82 HA ALA 82 -0.061 -14.222 -5.129 622 1HB ALA 82 2HB ALA 82 -0.577 -17.115 -4.301 623 2HB ALA 82 1HB ALA 82 -1.747 -15.807 -4.209 624 3HB ALA 82 3HB ALA 82 -1.155 -16.332 -5.772 625 H GLY 83 H GLY 83 -1.194 -13.935 -3.134 626 1HA GLY 83 2HA GLY 83 -1.106 -14.075 -0.638 627 2HA GLY 83 1HA GLY 83 0.638 -13.830 -0.760 628 H GLU 84 H GLU 84 -1.172 -12.370 0.688 629 HA GLU 84 HA GLU 84 -2.148 -9.976 -0.244 630 1HB GLU 84 2HB GLU 84 -1.196 -11.233 2.345 631 2HB GLU 84 1HB GLU 84 -1.461 -9.519 2.450 632 1HG GLU 84 2HG GLU 84 -3.619 -11.234 1.111 633 2HG GLU 84 1HG GLU 84 -3.544 -11.178 2.864 634 H TYR 85 H TYR 85 -0.188 -9.455 -1.822 635 HA TYR 85 HA TYR 85 2.090 -8.052 -0.847 636 1HB TYR 85 2HB TYR 85 0.392 -7.300 -3.285 637 2HB TYR 85 1HB TYR 85 2.014 -6.713 -2.973 638 HD1 TYR 85 HD2 TYR 85 1.881 -10.216 -2.148 639 HD2 TYR 85 HD1 TYR 85 2.133 -7.476 -5.386 640 HE1 TYR 85 HE2 TYR 85 2.842 -11.974 -3.601 641 HE2 TYR 85 HE1 TYR 85 3.091 -9.257 -6.795 642 HH TYR 85 HH TYR 85 2.845 -12.313 -6.197 643 H THR 86 H THR 86 2.459 -6.218 0.043 644 HA THR 86 HA THR 86 0.282 -4.162 0.344 645 HB THR 86 HB THR 86 2.011 -5.175 2.651 646 HG1 THR 86 HG1 THR 86 0.329 -6.591 1.867 647 1HG2 THR 86 1HG2 THR 86 -0.518 -3.414 2.469 648 2HG2 THR 86 3HG2 THR 86 0.324 -3.846 3.938 649 3HG2 THR 86 2HG2 THR 86 1.055 -2.741 2.782 650 H PHE 87 H PHE 87 0.942 -2.386 -0.557 651 HA PHE 87 HA PHE 87 3.734 -1.585 -0.401 652 1HB PHE 87 2HB PHE 87 2.935 -0.019 -2.349 653 2HB PHE 87 1HB PHE 87 3.399 -1.698 -2.579 654 HD1 PHE 87 HD2 PHE 87 1.754 -3.408 -2.876 655 HD2 PHE 87 HD1 PHE 87 0.673 0.669 -2.589 656 HE1 PHE 87 HE2 PHE 87 -0.419 -3.946 -3.782 657 HE2 PHE 87 HE1 PHE 87 -1.508 0.188 -3.512 658 HZ PHE 87 HZ PHE 87 -2.117 -2.151 -4.133 659 H TYR 88 H TYR 88 4.270 -0.059 0.905 660 HA TYR 88 HA TYR 88 2.418 2.124 1.572 661 1HB TYR 88 2HB TYR 88 3.975 2.161 3.730 662 2HB TYR 88 1HB TYR 88 2.703 0.968 3.548 663 HD1 TYR 88 HD2 TYR 88 3.207 -1.298 2.910 664 HD2 TYR 88 HD1 TYR 88 6.369 1.483 3.452 665 HE1 TYR 88 HE2 TYR 88 4.825 -3.136 2.921 666 HE2 TYR 88 HE1 TYR 88 7.978 -0.360 3.481 667 HH TYR 88 HH TYR 88 7.739 -2.971 2.326 668 H CYS 89 H CYS 89 3.006 4.208 1.497 669 HA CYS 89 HA CYS 89 5.540 4.966 0.104 670 1HB CYS 89 2HB CYS 89 3.245 5.926 -0.502 671 2HB CYS 89 1HB CYS 89 3.303 6.682 1.061 672 H GLU 90 H GLU 90 6.758 4.256 2.072 673 HA GLU 90 HA GLU 90 7.307 4.838 4.441 674 1HB GLU 90 2HB GLU 90 9.118 5.688 2.164 675 2HB GLU 90 1HB GLU 90 9.679 5.650 3.829 676 1HG GLU 90 2HG GLU 90 8.374 3.237 2.429 677 2HG GLU 90 1HG GLU 90 10.104 3.493 2.594 678 HA PRO 91 HA PRO 91 7.963 9.607 5.040 679 1HB PRO 91 2HB PRO 91 7.163 11.245 2.976 680 2HB PRO 91 1HB PRO 91 8.818 10.643 3.131 681 1HG PRO 91 2HG PRO 91 6.516 9.369 1.510 682 2HG PRO 91 1HG PRO 91 8.109 9.819 0.916 683 1HD PRO 91 2HD PRO 91 7.738 7.285 1.643 684 2HD PRO 91 1HD PRO 91 9.213 8.082 2.235 685 H HIS 92 HN HIP 92 5.362 8.650 3.070 686 HA HIS 92 HA HIP 92 3.250 9.906 4.811 687 1HB HIS 92 2HB HIP 92 2.925 8.703 2.017 688 2HB HIS 92 1HB HIP 92 1.835 9.817 2.825 689 HD2 HIS 92 HD2 HIP 92 4.215 12.066 3.673 690 HE1 HIS 92 HE1 HIP 92 4.613 12.323 -0.478 691 HE2 HIS 92 HE2 HIP 92 5.066 13.402 1.643 692 H ARG 93 H ARG 93 4.829 7.523 5.126 693 HA ARG 93 HA ARG 93 4.360 5.050 4.974 694 1HB ARG 93 2HB ARG 93 5.567 6.310 6.863 695 2HB ARG 93 1HB ARG 93 4.095 6.358 7.747 696 1HG ARG 93 2HG ARG 93 5.238 4.450 8.662 697 2HG ARG 93 1HG ARG 93 4.095 3.715 7.565 698 1HD ARG 93 2HD ARG 93 6.362 2.712 7.240 699 2HD ARG 93 1HD ARG 93 5.892 3.568 5.797 700 HE ARG 93 HE ARG 93 7.298 5.518 6.559 701 1HH1 ARG 93 2HH1 ARG 93 7.877 5.719 8.905 702 2HH1 ARG 93 1HH1 ARG 93 9.344 4.838 9.243 703 1HH2 ARG 93 1HH2 ARG 93 8.778 2.989 6.423 704 2HH2 ARG 93 2HH2 ARG 93 9.896 3.126 7.693 705 H GLY 94 H GLY 94 2.347 5.900 7.589 706 1HA GLY 94 2HA GLY 94 0.253 3.924 6.688 707 2HA GLY 94 1HA GLY 94 0.614 4.217 8.370 708 H ALA 95 H ALA 95 0.741 7.109 7.765 709 HA ALA 95 HA ALA 95 -2.130 7.651 8.200 710 1HB ALA 95 3HB ALA 95 0.347 9.465 8.188 711 2HB ALA 95 2HB ALA 95 -1.243 9.950 8.736 712 3HB ALA 95 1HB ALA 95 -0.358 8.720 9.618 713 H GLY 96 H GLY 96 -2.229 6.699 5.919 714 1HA GLY 96 2HA GLY 96 -3.599 7.911 4.068 715 2HA GLY 96 1HA GLY 96 -2.209 8.926 3.878 716 H MET 97 H MET 97 -0.098 6.956 3.526 717 HA MET 97 HA MET 97 -1.155 5.892 0.929 718 1HB MET 97 2HB MET 97 1.560 6.688 1.808 719 2HB MET 97 1HB MET 97 1.186 6.102 0.183 720 1HG MET 97 2HG MET 97 -0.637 8.057 0.315 721 2HG MET 97 1HG MET 97 0.439 8.721 1.495 722 1HE MET 97 1HE MET 97 -0.779 9.159 -1.748 723 2HE MET 97 3HE MET 97 -0.316 10.570 -0.783 724 3HE MET 97 2HE MET 97 0.409 10.288 -2.360 725 H VAL 98 H VAL 98 -1.810 4.004 2.459 726 HA VAL 98 HA VAL 98 0.229 1.789 2.209 727 HB VAL 98 HB VAL 98 -2.128 1.933 4.081 728 1HG1 VAL 98 2HG1 VAL 98 0.134 -0.120 3.782 729 2HG1 VAL 98 1HG1 VAL 98 -1.088 -0.126 5.042 730 3HG1 VAL 98 3HG1 VAL 98 -1.551 -0.411 3.379 731 1HG2 VAL 98 1HG2 VAL 98 0.884 2.100 4.546 732 2HG2 VAL 98 3HG2 VAL 98 -0.241 3.434 4.676 733 3HG2 VAL 98 2HG2 VAL 98 -0.352 2.081 5.792 734 H GLY 99 H GLY 99 -0.324 0.668 0.192 735 1HA GLY 99 2HA GLY 99 -3.247 -0.045 -0.166 736 2HA GLY 99 1HA GLY 99 -2.186 0.292 -1.513 737 H LYS 100 H LYS 100 -3.695 -2.014 -1.260 738 HA LYS 100 HA LYS 100 -1.563 -4.077 -1.049 739 1HB LYS 100 2HB LYS 100 -4.363 -4.168 0.059 740 2HB LYS 100 1HB LYS 100 -3.381 -5.611 -0.146 741 1HG LYS 100 2HG LYS 100 -1.618 -4.661 1.248 742 2HG LYS 100 1HG LYS 100 -2.479 -3.149 1.414 743 1HD LYS 100 2HD LYS 100 -2.755 -4.688 3.422 744 2HD LYS 100 1HD LYS 100 -4.262 -4.165 2.705 745 1HE LYS 100 2HE LYS 100 -4.291 -6.549 3.273 746 2HE LYS 100 1HE LYS 100 -4.496 -6.350 1.552 747 1HZ LYS 100 1HZ LYS 100 -1.667 -6.511 2.144 748 2HZ LYS 100 3HZ LYS 100 -2.583 -7.798 2.835 749 3HZ LYS 100 2HZ LYS 100 -2.705 -7.544 1.228 750 H ILE 101 H ILE 101 -1.342 -5.570 -2.387 751 HA ILE 101 HA ILE 101 -3.285 -6.012 -4.601 752 HB ILE 101 HB ILE 101 -0.348 -5.716 -4.713 753 1HG1 ILE 101 2HG1 ILE 101 -2.760 -5.509 -6.553 754 2HG1 ILE 101 1HG1 ILE 101 -1.798 -4.198 -5.915 755 1HG2 ILE 101 2HG2 ILE 101 -1.608 -7.994 -6.317 756 2HG2 ILE 101 1HG2 ILE 101 0.023 -7.381 -6.560 757 3HG2 ILE 101 3HG2 ILE 101 -0.389 -8.207 -5.091 758 1HD1 ILE 101 3HD1 ILE 101 0.136 -4.971 -7.390 759 2HD1 ILE 101 2HD1 ILE 101 -0.889 -6.241 -8.025 760 3HD1 ILE 101 1HD1 ILE 101 -1.290 -4.580 -8.338 761 H THR 102 H THR 102 -4.080 -7.915 -4.842 762 HA THR 102 HA THR 102 -3.072 -10.366 -3.384 763 HB THR 102 HB THR 102 -5.912 -9.949 -4.448 764 HG1 THR 102 HG1 THR 102 -5.024 -9.545 -1.786 765 1HG2 THR 102 3HG2 THR 102 -4.725 -11.484 -2.071 766 2HG2 THR 102 2HG2 THR 102 -6.403 -11.493 -2.582 767 3HG2 THR 102 1HG2 THR 102 -5.169 -12.239 -3.578 768 H VAL 103 H VAL 103 -2.019 -11.696 -4.957 769 HA VAL 103 HA VAL 103 -2.647 -11.235 -7.852 770 HB VAL 103 HB VAL 103 -0.659 -13.163 -6.593 771 1HG1 VAL 103 3HG1 VAL 103 -0.976 -13.447 -9.003 772 2HG1 VAL 103 2HG1 VAL 103 -0.598 -11.737 -9.263 773 3HG1 VAL 103 1HG1 VAL 103 0.626 -12.842 -8.653 774 1HG2 VAL 103 3HG2 VAL 103 -0.127 -10.223 -7.250 775 2HG2 VAL 103 2HG2 VAL 103 -0.146 -10.940 -5.652 776 3HG2 VAL 103 1HG2 VAL 103 1.076 -11.415 -6.807 777 H ALA 104 H ALA 104 -4.679 -11.993 -6.870 778 HA ALA 104 HA ALA 104 -6.554 -13.370 -7.547 779 1HB ALA 104 3HB ALA 104 -4.984 -14.951 -8.924 780 2HB ALA 104 2HB ALA 104 -4.537 -15.734 -7.421 781 3HB ALA 104 1HB ALA 104 -6.187 -15.831 -7.991 782 H GLY 105 HN GLY 105 -4.017 -14.501 -5.586 783 1HA GLY 105 2HA GLY 105 -5.522 -14.536 -3.016 784 2HA GLY 105 1HA GLY 105 -4.444 -15.870 -3.457 No H/Q in entry = 784 Start of MODEL 10 1 1H GLU 1 2H GLU 1 -1.415 -6.579 -16.947 2 2H GLU 1 1H GLU 1 -1.531 -7.076 -18.560 3 3H GLU 1 3H GLU 1 -0.370 -5.951 -18.146 4 HA GLU 1 HA GLU 1 -1.755 -4.261 -18.472 5 1HB GLU 1 2HB GLU 1 -3.736 -6.508 -19.211 6 2HB GLU 1 1HB GLU 1 -4.059 -4.808 -19.497 7 1HG GLU 1 2HG GLU 1 -2.986 -6.080 -21.500 8 2HG GLU 1 1HG GLU 1 -2.118 -4.625 -21.037 9 H THR 2 H THR 2 -2.098 -3.243 -16.407 10 HA THR 2 HA THR 2 -4.058 -4.547 -14.670 11 HB THR 2 HB THR 2 -1.702 -4.006 -13.887 12 HG1 THR 2 HG1 THR 2 -3.255 -4.696 -12.517 13 1HG2 THR 2 2HG2 THR 2 -2.012 -1.414 -14.431 14 2HG2 THR 2 1HG2 THR 2 -3.228 -1.415 -13.171 15 3HG2 THR 2 3HG2 THR 2 -1.610 -1.808 -12.787 16 H TYR 3 H TYR 3 -4.800 -2.995 -13.089 17 HA TYR 3 HA TYR 3 -6.682 -0.900 -14.139 18 1HB TYR 3 2HB TYR 3 -6.927 -2.571 -11.552 19 2HB TYR 3 1HB TYR 3 -8.244 -1.876 -12.495 20 HD1 TYR 3 HD1 TYR 3 -7.910 -2.580 -15.151 21 HD2 TYR 3 HD2 TYR 3 -6.802 -4.977 -11.824 22 HE1 TYR 3 HE1 TYR 3 -7.994 -4.582 -16.577 23 HE2 TYR 3 HE2 TYR 3 -6.907 -6.972 -13.268 24 HH TYR 3 HH TYR 3 -8.327 -6.952 -16.266 25 H THR 4 H THR 4 -4.866 0.408 -14.141 26 HA THR 4 HA THR 4 -2.966 0.959 -12.255 27 HB THR 4 HB THR 4 -2.664 3.158 -13.452 28 HG1 THR 4 HG1 THR 4 -4.783 3.147 -15.022 29 1HG2 THR 4 3HG2 THR 4 -3.993 1.276 -15.471 30 2HG2 THR 4 2HG2 THR 4 -2.909 2.615 -15.814 31 3HG2 THR 4 1HG2 THR 4 -2.298 1.209 -14.995 32 H VAL 5 H VAL 5 -3.277 0.983 -10.263 33 HA VAL 5 HA VAL 5 -5.147 2.550 -8.826 34 HB VAL 5 HB VAL 5 -2.362 1.517 -8.038 35 1HG1 VAL 5 2HG1 VAL 5 -4.712 2.331 -6.247 36 2HG1 VAL 5 1HG1 VAL 5 -3.209 1.622 -5.689 37 3HG1 VAL 5 3HG1 VAL 5 -3.214 3.230 -6.377 38 1HG2 VAL 5 1HG2 VAL 5 -5.169 0.360 -7.638 39 2HG2 VAL 5 3HG2 VAL 5 -3.988 -0.226 -8.782 40 3HG2 VAL 5 2HG2 VAL 5 -3.684 -0.380 -7.063 41 H LYS 6 H LYS 6 -4.830 4.445 -7.569 42 HA LYS 6 HA LYS 6 -2.759 6.353 -8.588 43 1HB LYS 6 2HB LYS 6 -5.707 6.943 -7.948 44 2HB LYS 6 1HB LYS 6 -4.595 8.068 -8.674 45 1HG LYS 6 2HG LYS 6 -5.209 5.412 -10.140 46 2HG LYS 6 1HG LYS 6 -6.386 6.678 -10.172 47 1HD LYS 6 2HD LYS 6 -5.029 8.173 -11.362 48 2HD LYS 6 1HD LYS 6 -3.555 7.431 -10.884 49 1HE LYS 6 2HE LYS 6 -5.483 6.152 -12.841 50 2HE LYS 6 1HE LYS 6 -4.118 7.135 -13.341 51 1HZ LYS 6 1HZ LYS 6 -3.304 5.053 -11.470 52 2HZ LYS 6 3HZ LYS 6 -4.104 4.448 -12.817 53 3HZ LYS 6 2HZ LYS 6 -2.733 5.387 -13.022 54 H LEU 7 H LEU 7 -1.893 7.754 -6.963 55 HA LEU 7 HA LEU 7 -2.903 7.264 -4.194 56 1HB LEU 7 2HB LEU 7 -0.503 7.254 -3.450 57 2HB LEU 7 1HB LEU 7 -0.976 5.885 -4.402 58 HG LEU 7 HG LEU 7 0.301 8.169 -5.886 59 1HD1 LEU 7 3HD1 LEU 7 1.739 6.067 -4.200 60 2HD1 LEU 7 2HD1 LEU 7 2.521 7.217 -5.275 61 3HD1 LEU 7 1HD1 LEU 7 1.652 7.784 -3.841 62 1HD2 LEU 7 3HD2 LEU 7 0.572 5.113 -5.964 63 2HD2 LEU 7 2HD2 LEU 7 -0.486 6.034 -7.020 64 3HD2 LEU 7 1HD2 LEU 7 1.262 6.236 -7.128 65 H GLY 8 H GLY 8 -3.745 8.940 -3.695 66 1HA GLY 8 2HA GLY 8 -3.536 11.142 -2.583 67 2HA GLY 8 1HA GLY 8 -2.420 11.638 -3.852 68 H SER 9 H SER 9 -5.729 10.327 -3.610 69 HA SER 9 HA SER 9 -7.326 10.696 -5.482 70 1HB SER 9 2HB SER 9 -8.532 10.900 -3.544 71 2HB SER 9 1HB SER 9 -7.510 12.170 -2.886 72 HG SER 9 HG SER 9 -9.753 12.358 -4.487 73 H ASP 10 H ASP 10 -6.153 13.607 -4.379 74 HA ASP 10 HA ASP 10 -5.252 15.481 -5.611 75 1HB ASP 10 2HB ASP 10 -5.667 14.259 -7.818 76 2HB ASP 10 1HB ASP 10 -7.297 14.802 -7.805 77 H LYS 11 H LYS 11 -8.521 14.661 -5.018 78 HA LYS 11 HA LYS 11 -9.298 17.540 -4.617 79 1HB LYS 11 2HB LYS 11 -11.163 15.172 -4.873 80 2HB LYS 11 1HB LYS 11 -11.553 16.857 -5.083 81 1HG LYS 11 2HG LYS 11 -9.799 15.178 -6.942 82 2HG LYS 11 1HG LYS 11 -11.451 15.651 -7.255 83 1HD LYS 11 2HD LYS 11 -10.766 18.097 -7.186 84 2HD LYS 11 1HD LYS 11 -9.103 17.629 -6.939 85 1HE LYS 11 2HE LYS 11 -10.730 16.816 -9.386 86 2HE LYS 11 1HE LYS 11 -9.609 18.183 -9.331 87 1HZ LYS 11 2HZ LYS 11 -8.294 16.075 -8.154 88 2HZ LYS 11 1HZ LYS 11 -8.878 15.384 -9.583 89 3HZ LYS 11 3HZ LYS 11 -7.868 16.761 -9.536 90 H GLY 12 H GLY 12 -7.901 16.864 -2.554 91 1HA GLY 12 2HA GLY 12 -8.775 17.444 -0.192 92 2HA GLY 12 1HA GLY 12 -9.876 16.121 -0.385 93 H LEU 13 H LEU 13 -8.134 13.991 -1.080 94 HA LEU 13 HA LEU 13 -6.418 13.998 1.393 95 1HB LEU 13 2HB LEU 13 -8.083 11.751 0.220 96 2HB LEU 13 1HB LEU 13 -6.884 11.471 1.451 97 HG LEU 13 HG LEU 13 -8.204 13.286 2.840 98 1HD1 LEU 13 1HD1 LEU 13 -10.324 12.369 0.844 99 2HD1 LEU 13 3HD1 LEU 13 -10.613 13.312 2.292 100 3HD1 LEU 13 2HD1 LEU 13 -9.721 14.008 0.968 101 1HD2 LEU 13 2HD2 LEU 13 -9.396 10.550 2.184 102 2HD2 LEU 13 1HD2 LEU 13 -8.106 10.832 3.341 103 3HD2 LEU 13 3HD2 LEU 13 -9.707 11.472 3.641 104 H LEU 14 H LEU 14 -4.759 12.640 1.609 105 HA LEU 14 HA LEU 14 -3.099 12.086 -0.832 106 1HB LEU 14 2HB LEU 14 -2.306 12.651 2.063 107 2HB LEU 14 1HB LEU 14 -1.177 12.232 0.804 108 HG LEU 14 HG LEU 14 -2.976 14.691 0.710 109 1HD1 LEU 14 3HD1 LEU 14 -1.205 14.759 2.502 110 2HD1 LEU 14 2HD1 LEU 14 0.009 14.348 1.304 111 3HD1 LEU 14 1HD1 LEU 14 -0.840 15.880 1.204 112 1HD2 LEU 14 2HD2 LEU 14 -0.558 13.782 -0.955 113 2HD2 LEU 14 1HD2 LEU 14 -2.206 13.816 -1.540 114 3HD2 LEU 14 3HD2 LEU 14 -1.391 15.309 -1.123 115 H VAL 15 H VAL 15 -4.757 10.222 -0.670 116 HA VAL 15 HA VAL 15 -3.734 8.002 1.076 117 HB VAL 15 HB VAL 15 -6.069 9.033 1.267 118 1HG1 VAL 15 1HG1 VAL 15 -6.718 9.074 -1.094 119 2HG1 VAL 15 3HG1 VAL 15 -6.612 7.346 -1.213 120 3HG1 VAL 15 2HG1 VAL 15 -7.824 8.068 -0.191 121 1HG2 VAL 15 1HG2 VAL 15 -5.856 5.988 1.107 122 2HG2 VAL 15 3HG2 VAL 15 -5.506 7.014 2.474 123 3HG2 VAL 15 2HG2 VAL 15 -7.135 6.905 1.840 124 H PHE 16 H PHE 16 -5.121 6.056 -0.378 125 HA PHE 16 HA PHE 16 -3.730 5.753 -2.993 126 1HB PHE 16 2HB PHE 16 -3.700 4.005 -0.529 127 2HB PHE 16 1HB PHE 16 -3.845 3.151 -2.046 128 HD1 PHE 16 HD1 PHE 16 -2.069 3.298 -3.740 129 HD2 PHE 16 HD2 PHE 16 -1.694 5.188 0.033 130 HE1 PHE 16 HE1 PHE 16 0.349 3.556 -4.122 131 HE2 PHE 16 HE2 PHE 16 0.740 5.454 -0.345 132 HZ PHE 16 HZ PHE 16 1.738 4.649 -2.406 133 H GLU 17 H GLU 17 -5.397 5.884 -4.410 134 HA GLU 17 HA GLU 17 -7.927 4.473 -3.745 135 1HB GLU 17 2HB GLU 17 -8.661 6.048 -5.836 136 2HB GLU 17 1HB GLU 17 -8.666 6.576 -4.171 137 1HG GLU 17 2HG GLU 17 -6.146 7.020 -5.819 138 2HG GLU 17 1HG GLU 17 -7.486 8.130 -5.965 139 HA PRO 18 HA PRO 18 -9.548 3.447 -4.340 140 1HB PRO 18 2HB PRO 18 -10.746 1.170 -4.900 141 2HB PRO 18 1HB PRO 18 -10.716 2.464 -6.109 142 1HG PRO 18 2HG PRO 18 -8.827 0.041 -5.875 143 2HG PRO 18 1HG PRO 18 -9.720 0.564 -7.300 144 1HD PRO 18 2HD PRO 18 -7.070 1.325 -6.842 145 2HD PRO 18 1HD PRO 18 -8.191 2.334 -7.771 146 H ALA 19 H ALA 19 -6.866 2.606 -3.526 147 HA ALA 19 HA ALA 19 -5.746 1.741 -1.700 148 1HB ALA 19 1HB ALA 19 -7.612 2.775 -0.486 149 2HB ALA 19 3HB ALA 19 -8.602 1.341 -0.680 150 3HB ALA 19 2HB ALA 19 -7.160 1.284 0.319 151 H LYS 20 H LYS 20 -8.399 -0.412 -2.243 152 HA LYS 20 HA LYS 20 -6.613 -2.799 -1.920 153 1HB LYS 20 2HB LYS 20 -9.139 -2.066 -0.767 154 2HB LYS 20 1HB LYS 20 -9.422 -3.500 -1.707 155 1HG LYS 20 2HG LYS 20 -7.002 -3.371 0.155 156 2HG LYS 20 1HG LYS 20 -8.584 -3.646 0.830 157 1HD LYS 20 2HD LYS 20 -7.394 -5.815 0.369 158 2HD LYS 20 1HD LYS 20 -8.909 -5.696 -0.491 159 1HE LYS 20 2HE LYS 20 -7.751 -5.217 -2.581 160 2HE LYS 20 1HE LYS 20 -6.203 -5.116 -1.736 161 1HZ LYS 20 2HZ LYS 20 -7.338 -7.537 -0.952 162 2HZ LYS 20 1HZ LYS 20 -7.473 -7.504 -2.660 163 3HZ LYS 20 3HZ LYS 20 -6.037 -7.332 -1.827 164 H LEU 21 H LEU 21 -5.968 -3.444 -3.824 165 HA LEU 21 HA LEU 21 -7.907 -3.771 -6.110 166 1HB LEU 21 2HB LEU 21 -5.784 -2.275 -6.270 167 2HB LEU 21 1HB LEU 21 -4.908 -3.762 -6.281 168 HG LEU 21 HG LEU 21 -6.711 -2.643 -8.451 169 1HD1 LEU 21 3HD1 LEU 21 -3.987 -3.963 -8.435 170 2HD1 LEU 21 2HD1 LEU 21 -4.790 -3.414 -9.886 171 3HD1 LEU 21 1HD1 LEU 21 -4.318 -2.278 -8.643 172 1HD2 LEU 21 3HD2 LEU 21 -6.077 -5.624 -8.300 173 2HD2 LEU 21 2HD2 LEU 21 -7.675 -4.916 -8.324 174 3HD2 LEU 21 1HD2 LEU 21 -6.661 -4.815 -9.714 175 H THR 22 H THR 22 -8.319 -5.822 -6.880 176 HA THR 22 HA THR 22 -6.563 -8.090 -5.939 177 HB THR 22 HB THR 22 -9.535 -8.075 -6.687 178 HG1 THR 22 HG1 THR 22 -9.079 -9.271 -4.545 179 1HG2 THR 22 1HG2 THR 22 -7.677 -10.389 -5.818 180 2HG2 THR 22 3HG2 THR 22 -9.395 -10.516 -6.179 181 3HG2 THR 22 2HG2 THR 22 -8.246 -10.210 -7.460 182 H ILE 23 H ILE 23 -5.084 -7.999 -7.558 183 HA ILE 23 HA ILE 23 -5.805 -7.859 -10.384 184 HB ILE 23 HB ILE 23 -3.274 -7.582 -10.770 185 1HG1 ILE 23 2HG1 ILE 23 -2.693 -7.605 -7.880 186 2HG1 ILE 23 1HG1 ILE 23 -2.936 -9.168 -8.584 187 1HG2 ILE 23 3HG2 ILE 23 -4.664 -5.679 -10.203 188 2HG2 ILE 23 2HG2 ILE 23 -4.171 -5.929 -8.524 189 3HG2 ILE 23 1HG2 ILE 23 -2.988 -5.553 -9.772 190 1HD1 ILE 23 2HD1 ILE 23 -1.078 -7.068 -9.761 191 2HD1 ILE 23 1HD1 ILE 23 -0.570 -8.483 -8.843 192 3HD1 ILE 23 3HD1 ILE 23 -1.350 -8.672 -10.401 193 H LYS 24 H LYS 24 -3.462 -9.221 -11.290 194 HA LYS 24 HA LYS 24 -4.461 -11.931 -10.875 195 1HB LYS 24 2HB LYS 24 -2.920 -10.797 -13.278 196 2HB LYS 24 1HB LYS 24 -3.538 -12.429 -13.212 197 1HG LYS 24 2HG LYS 24 -5.366 -11.442 -14.297 198 2HG LYS 24 1HG LYS 24 -5.864 -11.192 -12.648 199 1HD LYS 24 2HD LYS 24 -6.069 -8.979 -13.283 200 2HD LYS 24 1HD LYS 24 -4.351 -8.892 -12.969 201 1HE LYS 24 2HE LYS 24 -3.851 -9.363 -15.326 202 2HE LYS 24 1HE LYS 24 -5.580 -9.434 -15.683 203 1HZ LYS 24 1HZ LYS 24 -4.901 -7.095 -14.142 204 2HZ LYS 24 3HZ LYS 24 -4.011 -7.100 -15.498 205 3HZ LYS 24 2HZ LYS 24 -5.703 -7.170 -15.612 206 HA PRO 25 HA PRO 25 -0.254 -13.623 -9.686 207 1HB PRO 25 2HB PRO 25 0.043 -15.519 -11.735 208 2HB PRO 25 1HB PRO 25 -0.773 -15.780 -10.205 209 1HG PRO 25 2HG PRO 25 -2.035 -14.845 -12.845 210 2HG PRO 25 1HG PRO 25 -2.540 -16.188 -11.799 211 1HD PRO 25 2HD PRO 25 -3.869 -13.960 -11.428 212 2HD PRO 25 1HD PRO 25 -3.125 -14.702 -9.992 213 H GLY 26 H GLY 26 0.220 -11.189 -10.703 214 1HA GLY 26 2HA GLY 26 2.479 -10.387 -11.474 215 2HA GLY 26 1HA GLY 26 2.451 -11.638 -12.706 216 H ASP 27 H ASP 27 0.587 -8.798 -11.718 217 HA ASP 27 HA ASP 27 -0.103 -8.362 -14.584 218 1HB ASP 27 2HB ASP 27 -1.827 -8.520 -12.651 219 2HB ASP 27 1HB ASP 27 -1.242 -6.957 -12.121 220 H THR 28 H THR 28 -0.602 -5.813 -14.649 221 HA THR 28 HA THR 28 1.967 -4.387 -14.838 222 HB THR 28 HB THR 28 -0.685 -3.756 -15.921 223 HG1 THR 28 HG1 THR 28 1.560 -5.267 -16.767 224 1HG2 THR 28 2HG2 THR 28 2.199 -3.149 -16.859 225 2HG2 THR 28 1HG2 THR 28 0.758 -2.604 -17.707 226 3HG2 THR 28 3HG2 THR 28 1.164 -1.948 -16.134 227 H VAL 29 H VAL 29 0.969 -4.509 -12.476 228 HA VAL 29 HA VAL 29 -0.715 -2.571 -11.321 229 HB VAL 29 HB VAL 29 1.978 -3.276 -10.102 230 1HG1 VAL 29 3HG1 VAL 29 0.456 -1.661 -8.884 231 2HG1 VAL 29 2HG1 VAL 29 -0.802 -2.873 -8.864 232 3HG1 VAL 29 1HG1 VAL 29 0.689 -3.126 -7.966 233 1HG2 VAL 29 3HG2 VAL 29 -0.547 -4.999 -10.164 234 2HG2 VAL 29 2HG2 VAL 29 0.982 -5.426 -10.897 235 3HG2 VAL 29 1HG2 VAL 29 0.855 -5.354 -9.160 236 H GLU 30 H GLU 30 -0.904 -0.571 -11.794 237 HA GLU 30 HA GLU 30 1.533 1.019 -11.962 238 1HB GLU 30 2HB GLU 30 0.160 1.335 -13.951 239 2HB GLU 30 1HB GLU 30 -1.265 1.532 -12.994 240 1HG GLU 30 2HG GLU 30 -0.211 3.739 -12.028 241 2HG GLU 30 1HG GLU 30 1.121 3.468 -13.130 242 H PHE 31 H PHE 31 1.976 2.583 -10.872 243 HA PHE 31 HA PHE 31 0.365 3.395 -8.454 244 1HB PHE 31 2HB PHE 31 3.354 3.315 -8.830 245 2HB PHE 31 1HB PHE 31 2.555 3.950 -7.413 246 HD1 PHE 31 HD1 PHE 31 2.811 0.826 -9.487 247 HD2 PHE 31 HD2 PHE 31 1.945 2.520 -5.685 248 HE1 PHE 31 HE1 PHE 31 2.686 -1.413 -8.523 249 HE2 PHE 31 HE2 PHE 31 1.817 0.260 -4.709 250 HZ PHE 31 HZ PHE 31 2.181 -1.697 -6.113 251 H LEU 32 H LEU 32 -0.719 5.243 -9.539 252 HA LEU 32 HA LEU 32 0.990 7.268 -10.763 253 1HB LEU 32 2HB LEU 32 -1.350 6.690 -11.531 254 2HB LEU 32 1HB LEU 32 -1.897 7.461 -10.038 255 HG LEU 32 HG LEU 32 -0.029 9.114 -11.753 256 1HD1 LEU 32 3HD1 LEU 32 -1.605 8.142 -13.436 257 2HD1 LEU 32 2HD1 LEU 32 -2.967 8.787 -12.515 258 3HD1 LEU 32 1HD1 LEU 32 -1.794 9.868 -13.224 259 1HD2 LEU 32 3HD2 LEU 32 -2.672 9.771 -10.334 260 2HD2 LEU 32 2HD2 LEU 32 -1.075 10.027 -9.658 261 3HD2 LEU 32 1HD2 LEU 32 -1.570 10.919 -11.067 262 H ASN 33 H ASN 33 2.252 8.199 -9.514 263 HA ASN 33 HA ASN 33 1.913 9.168 -6.820 264 1HB ASN 33 2HB ASN 33 3.992 9.396 -9.021 265 2HB ASN 33 1HB ASN 33 4.197 10.378 -7.593 266 1HD2 ASN 33 2HD2 ASN 33 5.692 7.628 -6.054 267 2HD2 ASN 33 1HD2 ASN 33 5.833 9.287 -6.414 268 H ASN 34 H ASN 34 0.116 10.574 -6.705 269 HA ASN 34 HA ASN 34 0.276 13.105 -8.287 270 1HB ASN 34 2HB ASN 34 -1.754 11.523 -8.336 271 2HB ASN 34 1HB ASN 34 -2.069 11.989 -6.675 272 1HD2 ASN 34 2HD2 ASN 34 -3.775 14.733 -7.930 273 2HD2 ASN 34 1HD2 ASN 34 -3.748 13.477 -6.765 274 H LYS 35 H LYS 35 -1.520 14.484 -6.372 275 HA LYS 35 HA LYS 35 -0.237 16.361 -5.095 276 1HB LYS 35 2HB LYS 35 -2.249 14.544 -3.752 277 2HB LYS 35 1HB LYS 35 -1.767 16.050 -3.025 278 1HG LYS 35 2HG LYS 35 -3.130 15.763 -5.733 279 2HG LYS 35 1HG LYS 35 -3.919 16.220 -4.232 280 1HD LYS 35 2HD LYS 35 -2.127 18.193 -4.152 281 2HD LYS 35 1HD LYS 35 -1.914 17.862 -5.859 282 1HE LYS 35 2HE LYS 35 -4.502 18.751 -4.498 283 2HE LYS 35 1HE LYS 35 -3.517 19.704 -5.601 284 1HZ LYS 35 1HZ LYS 35 -4.106 17.192 -6.807 285 2HZ LYS 35 3HZ LYS 35 -5.547 17.843 -6.309 286 3HZ LYS 35 2HZ LYS 35 -4.589 18.628 -7.387 287 H VAL 36 H VAL 36 1.113 16.943 -3.532 288 HA VAL 36 HA VAL 36 3.114 16.713 -2.256 289 HB VAL 36 HB VAL 36 1.119 15.172 -0.565 290 1HG1 VAL 36 2HG1 VAL 36 3.471 16.975 0.205 291 2HG1 VAL 36 1HG1 VAL 36 2.360 16.221 1.333 292 3HG1 VAL 36 3HG1 VAL 36 3.433 15.232 0.370 293 1HG2 VAL 36 2HG2 VAL 36 1.557 18.199 -0.823 294 2HG2 VAL 36 1HG2 VAL 36 0.127 17.336 -1.377 295 3HG2 VAL 36 3HG2 VAL 36 0.487 17.431 0.331 296 HA PRO 37 HA PRO 37 4.922 12.582 -3.408 297 1HB PRO 37 2HB PRO 37 7.030 14.156 -4.522 298 2HB PRO 37 1HB PRO 37 5.757 13.344 -5.446 299 1HG PRO 37 2HG PRO 37 5.740 16.204 -4.330 300 2HG PRO 37 1HG PRO 37 5.414 15.697 -5.996 301 1HD PRO 37 2HD PRO 37 3.324 16.112 -4.459 302 2HD PRO 37 1HD PRO 37 3.345 14.542 -5.291 303 HA PRO 38 HA PRO 38 7.227 12.005 -3.988 304 1HB PRO 38 2HB PRO 38 9.578 11.187 -3.540 305 2HB PRO 38 1HB PRO 38 9.247 12.920 -3.755 306 1HG PRO 38 2HG PRO 38 9.757 11.367 -1.144 307 2HG PRO 38 1HG PRO 38 10.412 12.942 -1.576 308 1HD PRO 38 2HD PRO 38 7.986 12.470 -0.076 309 2HD PRO 38 1HD PRO 38 8.486 14.033 -0.743 310 H HIS 39 HN HIP 39 5.655 10.781 -3.522 311 HA HIS 39 HA HIP 39 5.379 8.645 -1.669 312 1HB HIS 39 2HB HIP 39 4.197 8.506 -4.495 313 2HB HIS 39 1HB HIP 39 3.535 7.833 -3.036 314 HD2 HIS 39 HD2 HIP 39 3.187 10.824 -5.279 315 HE1 HIS 39 HE1 HIP 39 1.426 11.984 -1.699 316 HE2 HIS 39 HE2 HIP 39 1.747 12.494 -4.040 317 H ASN 40 H ASN 40 7.565 7.557 -1.614 318 HA ASN 40 HA ASN 40 7.990 5.696 -3.894 319 1HB ASN 40 2HB ASN 40 9.997 6.944 -2.785 320 2HB ASN 40 1HB ASN 40 9.599 6.103 -1.311 321 1HD2 ASN 40 2HD2 ASN 40 11.709 4.169 -3.956 322 2HD2 ASN 40 1HD2 ASN 40 11.449 5.849 -4.084 323 H VAL 41 H VAL 41 6.759 3.781 -3.735 324 HA VAL 41 HA VAL 41 5.911 3.044 -0.985 325 HB VAL 41 HB VAL 41 4.539 1.343 -2.035 326 1HG1 VAL 41 2HG1 VAL 41 3.602 3.550 -1.439 327 2HG1 VAL 41 1HG1 VAL 41 4.109 4.213 -2.990 328 3HG1 VAL 41 3HG1 VAL 41 2.862 2.971 -2.923 329 1HG2 VAL 41 1HG2 VAL 41 5.727 1.180 -4.281 330 2HG2 VAL 41 3HG2 VAL 41 4.033 1.549 -4.493 331 3HG2 VAL 41 2HG2 VAL 41 5.219 2.820 -4.632 332 H VAL 42 H VAL 42 6.769 1.684 0.080 333 HA VAL 42 HA VAL 42 8.875 -0.025 -0.982 334 HB VAL 42 HB VAL 42 7.695 0.282 1.770 335 1HG1 VAL 42 1HG1 VAL 42 9.115 -1.745 1.601 336 2HG1 VAL 42 3HG1 VAL 42 10.433 -0.770 0.954 337 3HG1 VAL 42 2HG1 VAL 42 9.879 -0.532 2.602 338 1HG2 VAL 42 1HG2 VAL 42 10.096 1.699 0.467 339 2HG2 VAL 42 3HG2 VAL 42 8.588 2.463 0.894 340 3HG2 VAL 42 2HG2 VAL 42 9.652 1.879 2.149 341 H PHE 43 H PHE 43 8.777 -2.105 -1.235 342 HA PHE 43 HA PHE 43 6.140 -3.572 -1.083 343 1HB PHE 43 2HB PHE 43 8.492 -3.916 -2.893 344 2HB PHE 43 1HB PHE 43 7.456 -5.266 -2.603 345 HD1 PHE 43 HD1 PHE 43 6.770 -1.585 -3.278 346 HD2 PHE 43 HD2 PHE 43 6.055 -5.642 -4.382 347 HE1 PHE 43 HE1 PHE 43 5.276 -0.849 -5.065 348 HE2 PHE 43 HE2 PHE 43 4.565 -4.886 -6.161 349 HZ PHE 43 HZ PHE 43 4.174 -2.484 -6.503 350 H ASP 44 H ASP 44 6.690 -3.658 1.199 351 HA ASP 44 HA ASP 44 8.515 -4.700 2.726 352 1HB ASP 44 2HB ASP 44 5.998 -4.056 3.075 353 2HB ASP 44 1HB ASP 44 5.721 -5.791 2.998 354 H ALA 45 H ALA 45 9.292 -6.416 3.649 355 HA ALA 45 HA ALA 45 9.500 -8.872 2.060 356 1HB ALA 45 3HB ALA 45 11.557 -7.654 2.626 357 2HB ALA 45 2HB ALA 45 11.200 -7.775 4.342 358 3HB ALA 45 1HB ALA 45 11.583 -9.225 3.421 359 H ALA 46 H ALA 46 7.974 -7.909 4.854 360 HA ALA 46 HA ALA 46 7.685 -10.660 5.961 361 1HB ALA 46 1HB ALA 46 7.264 -7.887 7.175 362 2HB ALA 46 3HB ALA 46 7.071 -9.388 8.071 363 3HB ALA 46 2HB ALA 46 8.652 -8.920 7.459 364 H LEU 47 H LEU 47 5.871 -7.793 5.156 365 HA LEU 47 HA LEU 47 3.227 -8.983 5.487 366 1HB LEU 47 2HB LEU 47 4.330 -6.319 4.563 367 2HB LEU 47 1HB LEU 47 2.635 -6.650 4.336 368 HG LEU 47 HG LEU 47 3.117 -5.343 6.397 369 1HD1 LEU 47 1HD1 LEU 47 1.116 -6.825 6.286 370 2HD1 LEU 47 3HD1 LEU 47 2.043 -8.157 6.946 371 3HD1 LEU 47 2HD1 LEU 47 1.741 -6.736 7.922 372 1HD2 LEU 47 1HD2 LEU 47 5.299 -6.344 6.936 373 2HD2 LEU 47 3HD2 LEU 47 4.212 -6.431 8.310 374 3HD2 LEU 47 2HD2 LEU 47 4.523 -7.866 7.355 375 H ASN 48 H ASN 48 4.588 -10.500 3.742 376 HA ASN 48 HA ASN 48 2.848 -10.404 1.321 377 1HB ASN 48 2HB ASN 48 4.861 -10.807 -0.167 378 2HB ASN 48 1HB ASN 48 5.183 -9.404 0.823 379 1HD2 ASN 48 2HD2 ASN 48 8.142 -10.852 1.896 380 2HD2 ASN 48 1HD2 ASN 48 7.334 -9.434 1.426 381 HA PRO 49 HA PRO 49 1.988 -14.716 1.954 382 1HB PRO 49 2HB PRO 49 3.112 -15.998 -0.307 383 2HB PRO 49 1HB PRO 49 1.523 -15.256 -0.230 384 1HG PRO 49 2HG PRO 49 4.151 -13.906 -1.072 385 2HG PRO 49 1HG PRO 49 2.635 -13.966 -1.976 386 1HD PRO 49 2HD PRO 49 3.083 -11.788 -0.560 387 2HD PRO 49 1HD PRO 49 1.521 -12.577 -0.241 388 H ALA 50 H ALA 50 5.067 -15.236 0.435 389 HA ALA 50 HA ALA 50 6.008 -16.925 2.705 390 1HB ALA 50 3HB ALA 50 5.887 -17.957 0.461 391 2HB ALA 50 2HB ALA 50 6.928 -16.693 -0.187 392 3HB ALA 50 1HB ALA 50 7.563 -17.833 0.976 393 H LYS 51 H LYS 51 6.182 -14.377 3.310 394 HA LYS 51 HA LYS 51 7.698 -12.467 3.516 395 1HB LYS 51 2HB LYS 51 9.215 -13.682 5.549 396 2HB LYS 51 1HB LYS 51 7.718 -12.874 5.774 397 1HG LYS 51 2HG LYS 51 8.121 -15.864 5.219 398 2HG LYS 51 1HG LYS 51 7.873 -15.215 6.815 399 1HD LYS 51 2HD LYS 51 5.834 -15.624 4.588 400 2HD LYS 51 1HD LYS 51 5.715 -15.980 6.273 401 1HE LYS 51 2HE LYS 51 5.391 -13.658 6.899 402 2HE LYS 51 1HE LYS 51 5.698 -13.132 5.249 403 1HZ LYS 51 1HZ LYS 51 3.788 -15.127 5.000 404 2HZ LYS 51 3HZ LYS 51 3.206 -14.091 6.239 405 3HZ LYS 51 2HZ LYS 51 3.672 -13.518 4.706 406 H SER 52 H SER 52 8.658 -12.983 1.377 407 HA SER 52 HA SER 52 11.594 -13.616 1.545 408 1HB SER 52 2HB SER 52 11.601 -13.690 -0.917 409 2HB SER 52 1HB SER 52 10.162 -14.570 -0.400 410 HG SER 52 HG SER 52 9.519 -11.964 -0.453 411 H ALA 53 H ALA 53 13.144 -12.141 0.774 412 HA ALA 53 HA ALA 53 12.259 -9.268 1.000 413 1HB ALA 53 2HB ALA 53 14.001 -10.136 2.617 414 2HB ALA 53 1HB ALA 53 15.033 -10.566 1.268 415 3HB ALA 53 3HB ALA 53 14.671 -8.872 1.603 416 H ASP 54 H ASP 54 14.262 -11.381 -0.718 417 HA ASP 54 HA ASP 54 15.473 -10.177 -2.840 418 1HB ASP 54 2HB ASP 54 14.004 -12.843 -2.734 419 2HB ASP 54 1HB ASP 54 15.460 -12.486 -3.665 420 H LEU 55 H LEU 55 12.164 -11.415 -3.499 421 HA LEU 55 HA LEU 55 11.989 -9.792 -5.940 422 1HB LEU 55 2HB LEU 55 10.696 -11.928 -5.599 423 2HB LEU 55 1HB LEU 55 9.805 -11.209 -4.283 424 HG LEU 55 HG LEU 55 8.502 -11.359 -6.409 425 1HD1 LEU 55 3HD1 LEU 55 7.938 -9.483 -4.828 426 2HD1 LEU 55 2HD1 LEU 55 9.020 -8.421 -5.702 427 3HD1 LEU 55 1HD1 LEU 55 7.625 -9.077 -6.501 428 1HD2 LEU 55 3HD2 LEU 55 10.565 -9.402 -7.490 429 2HD2 LEU 55 2HD2 LEU 55 10.343 -11.066 -7.996 430 3HD2 LEU 55 1HD2 LEU 55 9.089 -9.878 -8.303 431 H ALA 56 H ALA 56 10.397 -9.679 -2.847 432 HA ALA 56 HA ALA 56 8.944 -7.392 -2.728 433 1HB ALA 56 3HB ALA 56 10.926 -8.447 -0.626 434 2HB ALA 56 2HB ALA 56 9.597 -7.394 -0.274 435 3HB ALA 56 1HB ALA 56 9.289 -9.000 -0.857 436 H LYS 57 H LYS 57 12.415 -7.256 -2.124 437 HA LYS 57 HA LYS 57 12.500 -4.379 -2.099 438 1HB LYS 57 2HB LYS 57 14.849 -6.282 -2.873 439 2HB LYS 57 1HB LYS 57 15.069 -4.697 -2.183 440 1HG LYS 57 2HG LYS 57 14.536 -5.368 0.013 441 2HG LYS 57 1HG LYS 57 13.747 -6.828 -0.480 442 1HD LYS 57 2HD LYS 57 16.787 -6.249 -0.600 443 2HD LYS 57 1HD LYS 57 16.001 -7.391 0.465 444 1HE LYS 57 2HE LYS 57 15.129 -8.466 -1.819 445 2HE LYS 57 1HE LYS 57 16.493 -7.638 -2.494 446 1HZ LYS 57 2HZ LYS 57 17.426 -8.944 -0.135 447 2HZ LYS 57 1HZ LYS 57 16.578 -10.089 -1.006 448 3HZ LYS 57 3HZ LYS 57 17.821 -9.351 -1.740 449 H SER 58 H SER 58 13.386 -6.584 -4.638 450 HA SER 58 HA SER 58 14.270 -4.813 -6.622 451 1HB SER 58 2HB SER 58 12.411 -7.225 -6.962 452 2HB SER 58 1HB SER 58 13.416 -6.487 -8.233 453 HG SER 58 HG SER 58 14.227 -7.943 -5.964 454 H LEU 59 H LEU 59 11.022 -5.780 -5.941 455 HA LEU 59 HA LEU 59 9.692 -3.863 -7.661 456 1HB LEU 59 2HB LEU 59 8.805 -5.774 -5.475 457 2HB LEU 59 1HB LEU 59 7.678 -4.636 -6.175 458 HG LEU 59 HG LEU 59 7.603 -6.937 -7.229 459 1HD1 LEU 59 3HD1 LEU 59 6.768 -4.912 -8.398 460 2HD1 LEU 59 2HD1 LEU 59 8.361 -4.616 -9.068 461 3HD1 LEU 59 1HD1 LEU 59 7.464 -6.044 -9.537 462 1HD2 LEU 59 1HD2 LEU 59 10.082 -7.329 -7.264 463 2HD2 LEU 59 3HD2 LEU 59 9.373 -7.490 -8.863 464 3HD2 LEU 59 2HD2 LEU 59 10.258 -6.039 -8.443 465 H SER 60 H SER 60 10.262 -3.906 -4.083 466 HA SER 60 HA SER 60 8.861 -1.655 -3.313 467 1HB SER 60 2HB SER 60 10.290 -3.301 -1.833 468 2HB SER 60 1HB SER 60 11.715 -2.501 -2.511 469 HG SER 60 HG SER 60 11.344 -0.876 -1.160 470 H HIS 61 H HIS 61 8.771 0.271 -4.295 471 HA HIS 61 HA HIS 61 10.401 1.379 -6.171 472 1HB HIS 61 2HB HIS 61 8.906 2.655 -3.851 473 2HB HIS 61 1HB HIS 61 9.640 3.661 -5.105 474 HD1 HIS 61 HD1 HIS 61 7.182 4.252 -5.835 475 HD2 HIS 61 HD2 HIS 61 8.048 0.296 -6.342 476 HE1 HIS 61 HE1 HIS 61 5.403 3.310 -7.281 477 H LYS 62 H LYS 62 11.045 1.931 -2.790 478 HA LYS 62 HA LYS 62 13.211 1.661 -1.696 479 1HB LYS 62 2HB LYS 62 14.375 2.837 -4.283 480 2HB LYS 62 1HB LYS 62 15.284 2.507 -2.833 481 1HG LYS 62 2HG LYS 62 15.271 0.229 -3.064 482 2HG LYS 62 1HG LYS 62 13.627 0.160 -3.617 483 1HD LYS 62 2HD LYS 62 14.625 1.122 -5.921 484 2HD LYS 62 1HD LYS 62 16.177 0.698 -5.258 485 1HE LYS 62 2HE LYS 62 15.429 -1.155 -6.662 486 2HE LYS 62 1HE LYS 62 15.333 -1.693 -4.983 487 1HZ LYS 62 3HZ LYS 62 12.927 -0.367 -5.618 488 2HZ LYS 62 2HZ LYS 62 13.139 -1.568 -6.811 489 3HZ LYS 62 1HZ LYS 62 13.092 -1.966 -5.214 490 H GLN 63 H GLN 63 13.789 4.712 -3.441 491 HA GLN 63 HA GLN 63 13.280 6.075 -0.844 492 1HB GLN 63 2HB GLN 63 15.805 5.477 -1.658 493 2HB GLN 63 1HB GLN 63 15.622 6.998 -2.506 494 1HG GLN 63 2HG GLN 63 16.570 7.596 -0.347 495 2HG GLN 63 1HG GLN 63 14.875 7.982 -0.147 496 1HE2 GLN 63 2HE2 GLN 63 14.561 5.698 2.456 497 2HE2 GLN 63 1HE2 GLN 63 13.879 7.007 1.603 498 H LEU 64 H LEU 64 13.228 8.418 -0.959 499 HA LEU 64 HA LEU 64 11.442 9.912 -1.753 500 1HB LEU 64 2HB LEU 64 13.133 11.682 -2.782 501 2HB LEU 64 1HB LEU 64 13.320 11.124 -1.137 502 HG LEU 64 HG LEU 64 15.105 9.532 -1.869 503 1HD1 LEU 64 1HD1 LEU 64 14.741 10.871 -4.583 504 2HD1 LEU 64 3HD1 LEU 64 16.013 9.732 -4.175 505 3HD1 LEU 64 2HD1 LEU 64 14.344 9.203 -4.234 506 1HD2 LEU 64 2HD2 LEU 64 15.676 11.849 -1.164 507 2HD2 LEU 64 1HD2 LEU 64 16.781 11.285 -2.407 508 3HD2 LEU 64 3HD2 LEU 64 15.489 12.400 -2.821 509 H LEU 65 H LEU 65 10.159 8.674 -3.255 510 HA LEU 65 HA LEU 65 10.806 8.897 -6.117 511 1HB LEU 65 2HB LEU 65 9.595 6.968 -5.122 512 2HB LEU 65 1HB LEU 65 8.215 8.003 -4.806 513 HG LEU 65 HG LEU 65 7.873 8.371 -7.245 514 1HD1 LEU 65 3HD1 LEU 65 10.314 6.547 -7.574 515 2HD1 LEU 65 2HD1 LEU 65 9.302 7.148 -8.870 516 3HD1 LEU 65 1HD1 LEU 65 10.304 8.254 -7.971 517 1HD2 LEU 65 2HD2 LEU 65 6.948 6.265 -6.215 518 2HD2 LEU 65 1HD2 LEU 65 7.387 6.047 -7.894 519 3HD2 LEU 65 3HD2 LEU 65 8.453 5.449 -6.637 520 H MET 66 H MET 66 11.062 11.091 -6.194 521 HA MET 66 HA MET 66 8.842 13.019 -6.154 522 1HB MET 66 2HB MET 66 11.593 13.155 -7.271 523 2HB MET 66 1HB MET 66 10.501 14.520 -7.097 524 1HG MET 66 2HG MET 66 10.542 14.242 -4.612 525 2HG MET 66 1HG MET 66 11.573 12.836 -4.771 526 1HE MET 66 3HE MET 66 11.342 16.534 -5.941 527 2HE MET 66 2HE MET 66 11.346 16.581 -4.159 528 3HE MET 66 1HE MET 66 12.695 17.226 -5.079 529 H SER 67 H SER 67 7.830 11.495 -7.551 530 HA SER 67 HA SER 67 8.062 12.071 -10.525 531 1HB SER 67 2HB SER 67 8.234 9.658 -9.743 532 2HB SER 67 1HB SER 67 6.492 9.742 -9.397 533 HG SER 67 HG SER 67 6.191 9.700 -11.521 534 HA PRO 68 HA PRO 68 4.321 14.250 -8.918 535 1HB PRO 68 2HB PRO 68 4.725 16.704 -9.931 536 2HB PRO 68 1HB PRO 68 5.842 16.088 -8.698 537 1HG PRO 68 2HG PRO 68 6.139 15.856 -11.760 538 2HG PRO 68 1HG PRO 68 7.275 16.650 -10.665 539 1HD PRO 68 2HD PRO 68 7.653 14.047 -11.367 540 2HD PRO 68 1HD PRO 68 7.946 14.556 -9.688 541 H GLY 69 H GLY 69 3.028 12.732 -10.230 542 1HA GLY 69 2HA GLY 69 0.966 12.927 -11.596 543 2HA GLY 69 1HA GLY 69 1.748 14.147 -12.578 544 H GLN 70 H GLN 70 3.933 11.824 -12.138 545 HA GLN 70 HA GLN 70 3.178 10.381 -14.667 546 1HB GLN 70 2HB GLN 70 5.148 11.915 -14.871 547 2HB GLN 70 1HB GLN 70 5.937 11.103 -13.538 548 1HG GLN 70 2HG GLN 70 6.277 9.067 -14.786 549 2HG GLN 70 1HG GLN 70 5.121 9.503 -16.030 550 1HE2 GLN 70 2HE2 GLN 70 7.753 10.766 -17.921 551 2HE2 GLN 70 1HE2 GLN 70 6.248 9.954 -17.926 552 H SER 71 H SER 71 2.648 8.355 -14.368 553 HA SER 71 HA SER 71 3.408 6.944 -11.877 554 1HB SER 71 2HB SER 71 1.630 5.639 -13.927 555 2HB SER 71 1HB SER 71 1.576 5.529 -12.172 556 HG SER 71 HG SER 71 0.009 6.841 -13.314 557 H THR 72 H THR 72 3.769 4.790 -11.838 558 HA THR 72 HA THR 72 5.620 3.704 -13.977 559 HB THR 72 HB THR 72 6.905 3.724 -11.872 560 HG1 THR 72 HG1 THR 72 6.023 1.113 -11.723 561 1HG2 THR 72 2HG2 THR 72 4.638 2.061 -10.630 562 2HG2 THR 72 1HG2 THR 72 6.146 2.532 -9.876 563 3HG2 THR 72 3HG2 THR 72 4.924 3.746 -10.211 564 H SER 73 H SER 73 4.692 1.890 -15.019 565 HA SER 73 HA SER 73 2.138 0.785 -13.921 566 1HB SER 73 2HB SER 73 2.035 -0.110 -16.388 567 2HB SER 73 1HB SER 73 1.852 1.634 -16.140 568 HG SER 73 HG SER 73 3.614 1.765 -17.349 569 H THR 74 H THR 74 4.376 0.190 -12.806 570 HA THR 74 HA THR 74 6.115 -1.710 -12.832 571 HB THR 74 HB THR 74 4.031 -1.961 -10.555 572 HG1 THR 74 HG1 THR 74 5.597 -0.254 -9.811 573 1HG2 THR 74 1HG2 THR 74 7.088 -1.893 -10.647 574 2HG2 THR 74 3HG2 THR 74 6.071 -2.237 -9.256 575 3HG2 THR 74 2HG2 THR 74 6.161 -3.386 -10.575 576 H THR 75 H THR 75 5.322 -2.949 -14.779 577 HA THR 75 HA THR 75 3.543 -5.196 -14.202 578 HB THR 75 HB THR 75 4.543 -4.095 -16.629 579 HG1 THR 75 HG1 THR 75 3.575 -6.640 -16.784 580 1HG2 THR 75 2HG2 THR 75 5.418 -7.044 -16.364 581 2HG2 THR 75 1HG2 THR 75 5.502 -6.043 -17.808 582 3HG2 THR 75 3HG2 THR 75 6.562 -5.726 -16.445 583 H PHE 76 H PHE 76 3.936 -7.020 -13.472 584 HA PHE 76 HA PHE 76 6.360 -7.527 -12.020 585 1HB PHE 76 2HB PHE 76 3.770 -8.976 -12.455 586 2HB PHE 76 1HB PHE 76 5.021 -9.766 -11.518 587 HD1 PHE 76 HD1 PHE 76 3.849 -6.170 -11.656 588 HD2 PHE 76 HD2 PHE 76 4.419 -9.616 -9.237 589 HE1 PHE 76 HE1 PHE 76 3.180 -4.900 -9.738 590 HE2 PHE 76 HE2 PHE 76 3.712 -8.316 -7.265 591 HZ PHE 76 HZ PHE 76 3.082 -5.918 -7.538 592 HA PRO 77 HA PRO 77 8.108 -11.007 -14.335 593 1HB PRO 77 2HB PRO 77 9.950 -11.812 -12.578 594 2HB PRO 77 1HB PRO 77 10.060 -10.171 -13.210 595 1HG PRO 77 2HG PRO 77 8.753 -11.108 -10.593 596 2HG PRO 77 1HG PRO 77 9.978 -9.856 -10.779 597 1HD PRO 77 2HD PRO 77 7.220 -9.304 -10.728 598 2HD PRO 77 1HD PRO 77 8.394 -8.259 -11.561 599 H ALA 78 H ALA 78 8.637 -13.445 -13.397 600 HA ALA 78 HA ALA 78 6.022 -14.425 -12.253 601 1HB ALA 78 2HB ALA 78 6.560 -15.089 -14.622 602 2HB ALA 78 1HB ALA 78 8.093 -15.761 -14.074 603 3HB ALA 78 3HB ALA 78 6.579 -16.499 -13.567 604 H ASP 79 H ASP 79 9.129 -13.886 -11.680 605 HA ASP 79 HA ASP 79 9.938 -15.978 -9.863 606 1HB ASP 79 2HB ASP 79 11.243 -13.269 -10.517 607 2HB ASP 79 1HB ASP 79 12.048 -14.770 -10.136 608 H ALA 80 H ALA 80 7.624 -15.001 -9.083 609 HA ALA 80 HA ALA 80 8.165 -13.611 -6.496 610 1HB ALA 80 3HB ALA 80 7.210 -12.012 -8.158 611 2HB ALA 80 2HB ALA 80 5.871 -13.104 -8.453 612 3HB ALA 80 1HB ALA 80 6.006 -12.294 -6.905 613 HA PRO 81 HA PRO 81 5.002 -16.527 -5.010 614 1HB PRO 81 2HB PRO 81 4.617 -15.746 -2.513 615 2HB PRO 81 1HB PRO 81 6.275 -16.108 -3.028 616 1HG PRO 81 2HG PRO 81 4.922 -13.324 -3.032 617 2HG PRO 81 1HG PRO 81 6.431 -13.753 -2.215 618 1HD PRO 81 2HD PRO 81 6.290 -12.673 -4.797 619 2HD PRO 81 1HD PRO 81 7.641 -13.705 -4.261 620 H ALA 82 H ALA 82 2.710 -16.660 -4.474 621 HA ALA 82 HA ALA 82 1.137 -14.386 -5.609 622 1HB ALA 82 3HB ALA 82 0.457 -17.338 -5.268 623 2HB ALA 82 2HB ALA 82 -0.563 -16.153 -6.036 624 3HB ALA 82 1HB ALA 82 0.964 -16.558 -6.751 625 H GLY 83 H GLY 83 -0.941 -13.946 -4.707 626 1HA GLY 83 2HA GLY 83 -2.532 -14.305 -2.689 627 2HA GLY 83 1HA GLY 83 -1.100 -14.233 -1.678 628 H GLU 84 H GLU 84 -1.657 -12.438 -0.442 629 HA GLU 84 HA GLU 84 -2.228 -9.890 -1.930 630 1HB GLU 84 2HB GLU 84 -4.014 -10.802 -0.374 631 2HB GLU 84 1HB GLU 84 -2.905 -10.498 0.938 632 1HG GLU 84 2HG GLU 84 -2.754 -8.120 0.456 633 2HG GLU 84 1HG GLU 84 -3.620 -8.255 -1.046 634 H TYR 85 H TYR 85 -0.966 -8.241 -1.742 635 HA TYR 85 HA TYR 85 1.368 -8.231 0.171 636 1HB TYR 85 2HB TYR 85 1.465 -6.681 -2.385 637 2HB TYR 85 1HB TYR 85 2.760 -7.466 -1.500 638 HD1 TYR 85 HD1 TYR 85 1.808 -10.201 -1.146 639 HD2 TYR 85 HD2 TYR 85 1.382 -7.663 -4.512 640 HE1 TYR 85 HE1 TYR 85 1.549 -12.179 -2.642 641 HE2 TYR 85 HE2 TYR 85 1.127 -9.648 -5.960 642 HH TYR 85 HH TYR 85 2.017 -12.570 -5.202 643 H THR 86 H THR 86 2.175 -6.040 0.786 644 HA THR 86 HA THR 86 0.169 -3.802 0.720 645 HB THR 86 HB THR 86 1.444 -4.873 3.300 646 HG1 THR 86 HG1 THR 86 -0.625 -5.463 1.815 647 1HG2 THR 86 3HG2 THR 86 -0.709 -2.735 2.794 648 2HG2 THR 86 2HG2 THR 86 -0.067 -3.241 4.344 649 3HG2 THR 86 1HG2 THR 86 0.935 -2.313 3.242 650 H PHE 87 H PHE 87 1.121 -2.075 -0.145 651 HA PHE 87 HA PHE 87 3.956 -1.610 0.498 652 1HB PHE 87 2HB PHE 87 3.147 0.055 -1.683 653 2HB PHE 87 1HB PHE 87 4.371 -1.191 -1.675 654 HD1 PHE 87 HD1 PHE 87 0.769 -0.531 -2.057 655 HD2 PHE 87 HD2 PHE 87 3.983 -3.165 -2.875 656 HE1 PHE 87 HE1 PHE 87 -0.666 -1.780 -3.615 657 HE2 PHE 87 HE2 PHE 87 2.581 -4.425 -4.425 658 HZ PHE 87 HZ PHE 87 0.259 -3.726 -4.809 659 H TYR 88 H TYR 88 4.602 0.222 1.489 660 HA TYR 88 HA TYR 88 2.640 2.389 1.921 661 1HB TYR 88 2HB TYR 88 3.917 2.733 4.084 662 2HB TYR 88 1HB TYR 88 2.921 1.300 3.914 663 HD1 TYR 88 HD1 TYR 88 6.446 2.492 3.652 664 HD2 TYR 88 HD2 TYR 88 3.842 -0.851 4.010 665 HE1 TYR 88 HE1 TYR 88 8.375 0.986 4.074 666 HE2 TYR 88 HE2 TYR 88 5.763 -2.308 4.422 667 HH TYR 88 HH TYR 88 7.911 -2.412 4.783 668 H CYS 89 H CYS 89 3.227 4.524 1.799 669 HA CYS 89 HA CYS 89 5.441 5.363 0.135 670 1HB CYS 89 2HB CYS 89 3.364 6.748 1.708 671 2HB CYS 89 1HB CYS 89 4.731 7.687 1.203 672 H GLU 90 H GLU 90 7.477 5.016 1.007 673 HA GLU 90 HA GLU 90 8.779 5.110 3.314 674 1HB GLU 90 2HB GLU 90 10.169 5.067 1.500 675 2HB GLU 90 1HB GLU 90 9.289 6.260 0.637 676 1HG GLU 90 2HG GLU 90 10.579 7.843 2.633 677 2HG GLU 90 1HG GLU 90 11.706 6.531 2.410 678 HA PRO 91 HA PRO 91 8.703 9.600 4.703 679 1HB PRO 91 2HB PRO 91 8.872 11.614 3.028 680 2HB PRO 91 1HB PRO 91 10.044 10.293 2.868 681 1HG PRO 91 2HG PRO 91 7.508 10.726 1.193 682 2HG PRO 91 1HG PRO 91 9.129 10.254 0.656 683 1HD PRO 91 2HD PRO 91 7.029 8.430 1.263 684 2HD PRO 91 1HD PRO 91 8.738 8.085 0.978 685 H HIS 92 HN HIP 92 5.973 8.594 3.362 686 HA HIS 92 HA HIP 92 4.252 10.851 4.442 687 1HB HIS 92 2HB HIP 92 3.529 8.761 2.313 688 2HB HIS 92 1HB HIP 92 2.495 10.040 2.873 689 HD2 HIS 92 HD2 HIP 92 4.960 12.386 2.778 690 HE1 HIS 92 HE1 HIP 92 4.585 11.680 -1.304 691 HE2 HIS 92 HE2 HIP 92 5.383 13.202 0.391 692 H ARG 93 H ARG 93 5.241 9.594 6.118 693 HA ARG 93 HA ARG 93 3.891 7.112 6.987 694 1HB ARG 93 2HB ARG 93 6.410 7.869 6.991 695 2HB ARG 93 1HB ARG 93 5.980 8.829 8.382 696 1HG ARG 93 2HG ARG 93 5.392 6.830 9.664 697 2HG ARG 93 1HG ARG 93 5.595 5.803 8.251 698 1HD ARG 93 2HD ARG 93 7.805 7.563 9.414 699 2HD ARG 93 1HD ARG 93 7.626 5.850 9.786 700 HE ARG 93 HE ARG 93 8.122 6.836 6.898 701 1HH1 ARG 93 2HH1 ARG 93 7.583 4.692 6.220 702 2HH1 ARG 93 1HH1 ARG 93 8.857 3.554 6.509 703 1HH2 ARG 93 1HH2 ARG 93 10.047 5.810 8.887 704 2HH2 ARG 93 2HH2 ARG 93 10.422 4.262 8.197 705 H GLY 94 H GLY 94 2.430 7.080 8.736 706 1HA GLY 94 2HA GLY 94 1.039 8.049 10.518 707 2HA GLY 94 1HA GLY 94 1.733 9.635 10.157 708 H ALA 95 H ALA 95 1.339 10.056 7.698 709 HA ALA 95 HA ALA 95 -1.557 10.450 7.371 710 1HB ALA 95 3HB ALA 95 0.108 12.251 6.888 711 2HB ALA 95 2HB ALA 95 0.852 11.240 5.656 712 3HB ALA 95 1HB ALA 95 -0.777 11.845 5.421 713 H GLY 96 H GLY 96 -1.681 8.167 7.380 714 1HA GLY 96 2HA GLY 96 -1.633 5.926 6.335 715 2HA GLY 96 1HA GLY 96 -3.105 6.712 5.868 716 H MET 97 H MET 97 0.088 7.096 4.429 717 HA MET 97 HA MET 97 -1.137 6.548 1.795 718 1HB MET 97 2HB MET 97 1.603 7.417 2.735 719 2HB MET 97 1HB MET 97 1.337 6.987 1.049 720 1HG MET 97 2HG MET 97 -0.812 8.659 1.669 721 2HG MET 97 1HG MET 97 0.473 9.393 2.535 722 1HE MET 97 1HE MET 97 -1.468 9.014 -0.453 723 2HE MET 97 3HE MET 97 -0.540 9.529 -1.826 724 3HE MET 97 2HE MET 97 -0.296 7.914 -1.176 725 H VAL 98 H VAL 98 -1.691 4.405 2.604 726 HA VAL 98 HA VAL 98 0.334 2.316 1.978 727 HB VAL 98 HB VAL 98 -1.143 0.880 3.345 728 1HG1 VAL 98 2HG1 VAL 98 0.938 1.949 4.275 729 2HG1 VAL 98 1HG1 VAL 98 0.008 3.373 4.692 730 3HG1 VAL 98 3HG1 VAL 98 -0.306 1.851 5.507 731 1HG2 VAL 98 1HG2 VAL 98 -3.218 2.225 3.283 732 2HG2 VAL 98 3HG2 VAL 98 -2.694 1.976 4.935 733 3HG2 VAL 98 2HG2 VAL 98 -2.427 3.520 4.159 734 H GLY 99 H GLY 99 -0.065 0.889 0.372 735 1HA GLY 99 2HA GLY 99 -2.782 0.735 -0.957 736 2HA GLY 99 1HA GLY 99 -1.283 0.654 -1.867 737 H LYS 100 H LYS 100 -3.663 -1.269 -1.284 738 HA LYS 100 HA LYS 100 -1.964 -3.663 -0.730 739 1HB LYS 100 2HB LYS 100 -4.631 -2.819 0.315 740 2HB LYS 100 1HB LYS 100 -4.382 -4.530 0.106 741 1HG LYS 100 2HG LYS 100 -2.011 -3.833 1.386 742 2HG LYS 100 1HG LYS 100 -3.019 -2.528 1.955 743 1HD LYS 100 2HD LYS 100 -3.145 -4.375 3.578 744 2HD LYS 100 1HD LYS 100 -4.710 -4.225 2.789 745 1HE LYS 100 2HE LYS 100 -3.745 -6.072 1.121 746 2HE LYS 100 1HE LYS 100 -2.544 -6.302 2.359 747 1HZ LYS 100 1HZ LYS 100 -4.976 -6.232 3.751 748 2HZ LYS 100 3HZ LYS 100 -5.248 -7.129 2.336 749 3HZ LYS 100 2HZ LYS 100 -4.076 -7.637 3.323 750 H ILE 101 H ILE 101 -1.719 -4.906 -2.326 751 HA ILE 101 HA ILE 101 -3.852 -5.299 -4.384 752 HB ILE 101 HB ILE 101 -1.561 -4.232 -4.848 753 1HG1 ILE 101 2HG1 ILE 101 -3.065 -6.199 -6.527 754 2HG1 ILE 101 1HG1 ILE 101 -2.978 -4.455 -6.644 755 1HG2 ILE 101 3HG2 ILE 101 -0.244 -6.265 -3.942 756 2HG2 ILE 101 2HG2 ILE 101 -0.944 -7.220 -5.241 757 3HG2 ILE 101 1HG2 ILE 101 0.168 -5.925 -5.612 758 1HD1 ILE 101 1HD1 ILE 101 -0.550 -4.618 -7.357 759 2HD1 ILE 101 3HD1 ILE 101 -0.689 -6.361 -7.401 760 3HD1 ILE 101 2HD1 ILE 101 -1.615 -5.395 -8.493 761 H THR 102 H THR 102 -4.651 -7.252 -4.647 762 HA THR 102 HA THR 102 -3.409 -9.740 -3.473 763 HB THR 102 HB THR 102 -6.351 -9.447 -4.107 764 HG1 THR 102 HG1 THR 102 -5.069 -9.450 -1.575 765 1HG2 THR 102 2HG2 THR 102 -4.704 -11.266 -2.258 766 2HG2 THR 102 1HG2 THR 102 -6.443 -11.324 -2.489 767 3HG2 THR 102 3HG2 THR 102 -5.364 -11.789 -3.791 768 H VAL 103 H VAL 103 -2.895 -11.350 -4.965 769 HA VAL 103 HA VAL 103 -3.668 -10.897 -7.796 770 HB VAL 103 HB VAL 103 -1.988 -12.839 -8.132 771 1HG1 VAL 103 3HG1 VAL 103 -1.076 -10.498 -7.694 772 2HG1 VAL 103 2HG1 VAL 103 -1.018 -10.930 -5.989 773 3HG1 VAL 103 1HG1 VAL 103 -0.057 -11.817 -7.152 774 1HG2 VAL 103 3HG2 VAL 103 -2.185 -13.049 -5.249 775 2HG2 VAL 103 2HG2 VAL 103 -2.797 -14.190 -6.431 776 3HG2 VAL 103 1HG2 VAL 103 -1.084 -13.898 -6.377 777 H ALA 104 H ALA 104 -4.469 -12.693 -9.033 778 HA ALA 104 HA ALA 104 -6.604 -14.306 -7.648 779 1HB ALA 104 2HB ALA 104 -7.441 -12.414 -9.120 780 2HB ALA 104 1HB ALA 104 -6.555 -13.088 -10.474 781 3HB ALA 104 3HB ALA 104 -7.906 -13.974 -9.792 782 H GLY 105 HN GLY 105 -4.510 -15.430 -7.417 783 1HA GLY 105 2HA GLY 105 -4.242 -17.949 -8.053 784 2HA GLY 105 1HA GLY 105 -3.716 -17.282 -9.606 No H/Q in entry = 784 Start of MODEL 11 1 1H GLU 1 2H GLU 1 -4.722 -5.101 -16.135 2 2H GLU 1 1H GLU 1 -4.569 -6.056 -17.488 3 3H GLU 1 3H GLU 1 -4.206 -6.702 -15.954 4 HA GLU 1 HA GLU 1 -2.075 -5.959 -16.145 5 1HB GLU 1 2HB GLU 1 -1.663 -4.655 -18.488 6 2HB GLU 1 1HB GLU 1 -2.043 -6.356 -18.541 7 1HG GLU 1 2HG GLU 1 -3.406 -4.587 -20.057 8 2HG GLU 1 1HG GLU 1 -4.304 -5.914 -19.385 9 H THR 2 H THR 2 -1.330 -3.347 -17.230 10 HA THR 2 HA THR 2 -1.193 -1.830 -15.076 11 HB THR 2 HB THR 2 -1.656 0.153 -17.257 12 HG1 THR 2 HG1 THR 2 -2.344 -1.855 -18.355 13 1HG2 THR 2 1HG2 THR 2 0.756 -1.707 -17.279 14 2HG2 THR 2 3HG2 THR 2 0.619 -0.109 -17.978 15 3HG2 THR 2 2HG2 THR 2 0.661 -0.291 -16.236 16 H TYR 3 H TYR 3 -2.899 -2.262 -13.884 17 HA TYR 3 HA TYR 3 -5.193 -0.436 -14.285 18 1HB TYR 3 2HB TYR 3 -4.466 -2.203 -11.872 19 2HB TYR 3 1HB TYR 3 -6.022 -1.416 -12.090 20 HD1 TYR 3 HD1 TYR 3 -6.538 -1.865 -14.971 21 HD2 TYR 3 HD2 TYR 3 -4.928 -4.539 -12.080 22 HE1 TYR 3 HE1 TYR 3 -7.324 -3.750 -16.290 23 HE2 TYR 3 HE2 TYR 3 -5.731 -6.396 -13.412 24 HH TYR 3 HH TYR 3 -7.026 -5.818 -16.590 25 H THR 4 H THR 4 -5.082 1.559 -13.917 26 HA THR 4 HA THR 4 -3.091 3.106 -12.706 27 HB THR 4 HB THR 4 -6.003 3.939 -13.113 28 HG1 THR 4 HG1 THR 4 -3.718 4.005 -14.802 29 1HG2 THR 4 3HG2 THR 4 -3.342 5.435 -13.437 30 2HG2 THR 4 2HG2 THR 4 -4.947 6.089 -13.679 31 3HG2 THR 4 1HG2 THR 4 -4.400 5.664 -12.061 32 H VAL 5 H VAL 5 -2.511 2.711 -10.578 33 HA VAL 5 HA VAL 5 -4.612 3.082 -8.488 34 HB VAL 5 HB VAL 5 -1.674 2.211 -8.258 35 1HG1 VAL 5 2HG1 VAL 5 -3.967 2.148 -6.217 36 2HG1 VAL 5 1HG1 VAL 5 -2.345 1.524 -5.948 37 3HG1 VAL 5 3HG1 VAL 5 -2.598 3.246 -6.157 38 1HG2 VAL 5 3HG2 VAL 5 -4.248 0.559 -8.103 39 2HG2 VAL 5 2HG2 VAL 5 -3.096 0.535 -9.427 40 3HG2 VAL 5 1HG2 VAL 5 -2.620 -0.055 -7.846 41 H LYS 6 H LYS 6 -4.665 4.854 -7.320 42 HA LYS 6 HA LYS 6 -2.652 7.014 -7.828 43 1HB LYS 6 2HB LYS 6 -5.060 7.079 -8.719 44 2HB LYS 6 1HB LYS 6 -5.555 7.235 -7.050 45 1HG LYS 6 2HG LYS 6 -4.212 9.341 -6.852 46 2HG LYS 6 1HG LYS 6 -3.699 9.164 -8.518 47 1HD LYS 6 2HD LYS 6 -5.651 10.722 -8.492 48 2HD LYS 6 1HD LYS 6 -6.087 9.234 -9.303 49 1HE LYS 6 2HE LYS 6 -7.886 10.000 -7.740 50 2HE LYS 6 1HE LYS 6 -7.291 8.418 -7.277 51 1HZ LYS 6 3HZ LYS 6 -5.641 10.457 -6.123 52 2HZ LYS 6 2HZ LYS 6 -7.284 10.686 -5.719 53 3HZ LYS 6 1HZ LYS 6 -6.542 9.295 -5.360 54 H LEU 7 H LEU 7 -1.479 7.611 -6.262 55 HA LEU 7 HA LEU 7 -2.037 6.883 -3.433 56 1HB LEU 7 2HB LEU 7 0.517 7.632 -3.348 57 2HB LEU 7 1HB LEU 7 0.061 6.078 -4.017 58 HG LEU 7 HG LEU 7 0.204 7.037 -6.331 59 1HD1 LEU 7 2HD1 LEU 7 1.147 9.533 -4.834 60 2HD1 LEU 7 1HD1 LEU 7 1.143 9.291 -6.566 61 3HD1 LEU 7 3HD1 LEU 7 -0.361 9.411 -5.719 62 1HD2 LEU 7 3HD2 LEU 7 2.188 6.028 -5.310 63 2HD2 LEU 7 2HD2 LEU 7 2.598 7.354 -6.381 64 3HD2 LEU 7 1HD2 LEU 7 2.625 7.593 -4.641 65 H GLY 8 H GLY 8 -3.625 8.465 -3.404 66 1HA GLY 8 2HA GLY 8 -4.065 10.352 -1.814 67 2HA GLY 8 1HA GLY 8 -2.707 11.215 -2.564 68 H SER 9 H SER 9 -5.307 12.283 -2.435 69 HA SER 9 HA SER 9 -6.133 12.104 -5.359 70 1HB SER 9 2HB SER 9 -7.849 11.660 -3.205 71 2HB SER 9 1HB SER 9 -8.146 13.373 -3.546 72 HG SER 9 HG SER 9 -8.927 11.324 -4.990 73 H ASP 10 H ASP 10 -5.929 14.479 -2.805 74 HA ASP 10 HA ASP 10 -5.204 16.438 -4.918 75 1HB ASP 10 2HB ASP 10 -7.639 16.553 -4.350 76 2HB ASP 10 1HB ASP 10 -7.240 16.841 -2.667 77 H LYS 11 H LYS 11 -4.893 18.706 -3.242 78 HA LYS 11 HA LYS 11 -2.268 17.962 -2.023 79 1HB LYS 11 2HB LYS 11 -1.653 20.223 -2.306 80 2HB LYS 11 1HB LYS 11 -2.690 19.999 -3.682 81 1HG LYS 11 2HG LYS 11 -3.418 21.348 -1.012 82 2HG LYS 11 1HG LYS 11 -3.068 22.185 -2.491 83 1HD LYS 11 2HD LYS 11 -5.404 20.250 -2.156 84 2HD LYS 11 1HD LYS 11 -5.553 21.960 -1.883 85 1HE LYS 11 2HE LYS 11 -4.885 22.437 -4.227 86 2HE LYS 11 1HE LYS 11 -4.744 20.706 -4.529 87 1HZ LYS 11 3HZ LYS 11 -7.179 21.053 -3.261 88 2HZ LYS 11 2HZ LYS 11 -7.203 22.215 -4.515 89 3HZ LYS 11 1HZ LYS 11 -6.929 20.542 -4.758 90 H GLY 12 H GLY 12 -4.912 17.471 -0.969 91 1HA GLY 12 2HA GLY 12 -4.604 18.445 1.863 92 2HA GLY 12 1HA GLY 12 -6.188 18.316 1.123 93 H LEU 13 H LEU 13 -5.973 15.837 -0.074 94 HA LEU 13 HA LEU 13 -5.756 14.059 2.326 95 1HB LEU 13 2HB LEU 13 -7.555 12.702 1.332 96 2HB LEU 13 1HB LEU 13 -8.031 14.357 1.576 97 HG LEU 13 HG LEU 13 -7.017 13.582 -1.188 98 1HD1 LEU 13 2HD1 LEU 13 -9.819 13.137 -0.043 99 2HD1 LEU 13 1HD1 LEU 13 -9.370 12.918 -1.718 100 3HD1 LEU 13 3HD1 LEU 13 -8.710 11.857 -0.496 101 1HD2 LEU 13 3HD2 LEU 13 -7.676 16.015 -0.590 102 2HD2 LEU 13 2HD2 LEU 13 -8.693 15.308 -1.820 103 3HD2 LEU 13 1HD2 LEU 13 -9.256 15.413 -0.171 104 H LEU 14 H LEU 14 -4.168 12.794 2.403 105 HA LEU 14 HA LEU 14 -2.834 11.614 0.027 106 1HB LEU 14 2HB LEU 14 -2.146 11.780 2.986 107 2HB LEU 14 1HB LEU 14 -1.154 10.902 1.860 108 HG LEU 14 HG LEU 14 -1.789 13.871 1.477 109 1HD1 LEU 14 1HD1 LEU 14 0.645 12.504 2.738 110 2HD1 LEU 14 3HD1 LEU 14 0.476 14.224 2.436 111 3HD1 LEU 14 2HD1 LEU 14 -0.548 13.441 3.625 112 1HD2 LEU 14 3HD2 LEU 14 0.415 12.017 0.426 113 2HD2 LEU 14 2HD2 LEU 14 -0.947 12.564 -0.534 114 3HD2 LEU 14 1HD2 LEU 14 0.243 13.712 0.042 115 H VAL 15 H VAL 15 -5.101 10.467 0.019 116 HA VAL 15 HA VAL 15 -4.997 7.879 1.525 117 HB VAL 15 HB VAL 15 -7.223 9.189 -0.124 118 1HG1 VAL 15 3HG1 VAL 15 -7.375 6.768 1.743 119 2HG1 VAL 15 2HG1 VAL 15 -8.731 7.562 0.971 120 3HG1 VAL 15 1HG1 VAL 15 -7.566 6.725 -0.010 121 1HG2 VAL 15 1HG2 VAL 15 -6.681 10.416 2.006 122 2HG2 VAL 15 3HG2 VAL 15 -8.247 9.638 2.119 123 3HG2 VAL 15 2HG2 VAL 15 -6.853 8.927 2.909 124 H PHE 16 H PHE 16 -5.737 5.934 0.251 125 HA PHE 16 HA PHE 16 -4.358 5.903 -2.427 126 1HB PHE 16 2HB PHE 16 -4.558 3.881 -0.196 127 2HB PHE 16 1HB PHE 16 -4.380 3.311 -1.843 128 HD1 PHE 16 HD2 PHE 16 -2.692 6.502 -0.943 129 HD2 PHE 16 HD1 PHE 16 -2.337 2.293 -1.253 130 HE1 PHE 16 HE2 PHE 16 -0.242 6.688 -0.839 131 HE2 PHE 16 HE1 PHE 16 0.118 2.482 -1.149 132 HZ PHE 16 HZ PHE 16 1.151 4.681 -0.939 133 H GLU 17 H GLU 17 -5.565 5.876 -4.021 134 HA GLU 17 HA GLU 17 -8.297 4.701 -3.973 135 1HB GLU 17 2HB GLU 17 -6.987 6.870 -5.613 136 2HB GLU 17 1HB GLU 17 -8.634 6.340 -5.898 137 1HG GLU 17 2HG GLU 17 -9.414 7.225 -3.789 138 2HG GLU 17 1HG GLU 17 -7.841 7.172 -3.043 139 HA PRO 18 HA PRO 18 -9.280 3.084 -4.262 140 1HB PRO 18 2HB PRO 18 -10.227 0.801 -5.097 141 2HB PRO 18 1HB PRO 18 -10.145 2.154 -6.234 142 1HG PRO 18 2HG PRO 18 -8.113 -0.144 -5.930 143 2HG PRO 18 1HG PRO 18 -8.894 0.418 -7.405 144 1HD PRO 18 2HD PRO 18 -6.367 1.347 -6.518 145 2HD PRO 18 1HD PRO 18 -7.406 2.224 -7.654 146 H ALA 19 H ALA 19 -6.449 2.335 -3.576 147 HA ALA 19 HA ALA 19 -5.247 1.437 -1.781 148 1HB ALA 19 3HB ALA 19 -7.084 2.422 -0.474 149 2HB ALA 19 2HB ALA 19 -8.068 0.994 -0.672 150 3HB ALA 19 1HB ALA 19 -6.601 0.918 0.282 151 H LYS 20 H LYS 20 -7.818 -0.773 -2.478 152 HA LYS 20 HA LYS 20 -6.039 -3.163 -2.094 153 1HB LYS 20 2HB LYS 20 -8.072 -4.344 -1.487 154 2HB LYS 20 1HB LYS 20 -7.813 -2.936 -0.481 155 1HG LYS 20 2HG LYS 20 -9.349 -1.987 -2.715 156 2HG LYS 20 1HG LYS 20 -10.002 -3.561 -2.355 157 1HD LYS 20 2HD LYS 20 -10.348 -2.938 0.032 158 2HD LYS 20 1HD LYS 20 -9.626 -1.365 -0.236 159 1HE LYS 20 2HE LYS 20 -12.144 -2.399 -1.595 160 2HE LYS 20 1HE LYS 20 -12.121 -1.291 -0.227 161 1HZ LYS 20 1HZ LYS 20 -10.325 -0.271 -2.194 162 2HZ LYS 20 3HZ LYS 20 -11.736 -0.662 -2.988 163 3HZ LYS 20 2HZ LYS 20 -11.752 0.425 -1.686 164 H LEU 21 H LEU 21 -5.413 -4.082 -3.977 165 HA LEU 21 HA LEU 21 -7.275 -4.108 -6.345 166 1HB LEU 21 2HB LEU 21 -5.049 -2.891 -6.471 167 2HB LEU 21 1HB LEU 21 -4.312 -4.461 -6.451 168 HG LEU 21 HG LEU 21 -6.009 -3.199 -8.628 169 1HD1 LEU 21 2HD1 LEU 21 -3.455 -4.823 -8.597 170 2HD1 LEU 21 1HD1 LEU 21 -4.206 -4.225 -10.048 171 3HD1 LEU 21 3HD1 LEU 21 -3.592 -3.107 -8.843 172 1HD2 LEU 21 1HD2 LEU 21 -5.742 -6.247 -8.438 173 2HD2 LEU 21 3HD2 LEU 21 -7.238 -5.364 -8.416 174 3HD2 LEU 21 2HD2 LEU 21 -6.261 -5.389 -9.850 175 H THR 22 H THR 22 -8.257 -6.184 -6.552 176 HA THR 22 HA THR 22 -6.612 -8.589 -5.904 177 HB THR 22 HB THR 22 -9.546 -8.461 -6.844 178 HG1 THR 22 HG1 THR 22 -9.046 -9.392 -4.388 179 1HG2 THR 22 1HG2 THR 22 -7.894 -10.672 -5.457 180 2HG2 THR 22 3HG2 THR 22 -9.573 -10.797 -5.978 181 3HG2 THR 22 2HG2 THR 22 -8.284 -10.724 -7.163 182 H ILE 23 H ILE 23 -5.116 -8.660 -7.458 183 HA ILE 23 HA ILE 23 -5.830 -8.546 -10.291 184 HB ILE 23 HB ILE 23 -3.445 -8.787 -10.753 185 1HG1 ILE 23 2HG1 ILE 23 -2.676 -8.547 -7.893 186 2HG1 ILE 23 1HG1 ILE 23 -3.089 -10.119 -8.510 187 1HG2 ILE 23 2HG2 ILE 23 -4.360 -6.551 -10.356 188 2HG2 ILE 23 1HG2 ILE 23 -3.901 -6.732 -8.652 189 3HG2 ILE 23 3HG2 ILE 23 -2.680 -6.694 -9.914 190 1HD1 ILE 23 1HD1 ILE 23 -1.064 -8.266 -9.836 191 2HD1 ILE 23 3HD1 ILE 23 -0.639 -9.674 -8.881 192 3HD1 ILE 23 2HD1 ILE 23 -1.504 -9.866 -10.388 193 H LYS 24 H LYS 24 -4.913 -10.049 -11.857 194 HA LYS 24 HA LYS 24 -5.017 -12.769 -10.694 195 1HB LYS 24 2HB LYS 24 -6.105 -13.657 -12.609 196 2HB LYS 24 1HB LYS 24 -6.884 -12.147 -12.301 197 1HG LYS 24 2HG LYS 24 -4.744 -12.628 -14.450 198 2HG LYS 24 1HG LYS 24 -6.453 -12.692 -14.781 199 1HD LYS 24 2HD LYS 24 -4.860 -10.338 -13.797 200 2HD LYS 24 1HD LYS 24 -5.423 -10.506 -15.429 201 1HE LYS 24 2HE LYS 24 -7.803 -10.338 -14.712 202 2HE LYS 24 1HE LYS 24 -7.294 -10.227 -13.027 203 1HZ LYS 24 2HZ LYS 24 -5.768 -8.426 -14.443 204 2HZ LYS 24 1HZ LYS 24 -7.303 -7.954 -14.880 205 3HZ LYS 24 3HZ LYS 24 -6.772 -8.083 -13.261 206 HA PRO 25 HA PRO 25 -0.927 -13.934 -11.045 207 1HB PRO 25 2HB PRO 25 -0.934 -15.854 -13.201 208 2HB PRO 25 1HB PRO 25 -0.978 -16.131 -11.458 209 1HG PRO 25 2HG PRO 25 -3.332 -15.798 -13.363 210 2HG PRO 25 1HG PRO 25 -3.147 -16.939 -12.023 211 1HD PRO 25 2HD PRO 25 -4.650 -14.832 -11.541 212 2HD PRO 25 1HD PRO 25 -3.342 -15.124 -10.373 213 H GLY 26 H GLY 26 -0.150 -11.832 -11.694 214 1HA GLY 26 2HA GLY 26 1.955 -11.343 -13.142 215 2HA GLY 26 1HA GLY 26 0.966 -11.743 -14.513 216 H ASP 27 H ASP 27 -1.281 -10.438 -13.596 217 HA ASP 27 HA ASP 27 -1.754 -8.303 -14.852 218 1HB ASP 27 2HB ASP 27 -2.602 -9.435 -12.437 219 2HB ASP 27 1HB ASP 27 -2.423 -7.736 -12.072 220 H THR 28 H THR 28 -0.266 -6.759 -15.590 221 HA THR 28 HA THR 28 1.499 -5.274 -13.974 222 HB THR 28 HB THR 28 0.121 -4.140 -16.486 223 HG1 THR 28 HG1 THR 28 2.472 -5.615 -16.550 224 1HG2 THR 28 2HG2 THR 28 3.013 -4.088 -15.493 225 2HG2 THR 28 1HG2 THR 28 2.353 -3.246 -16.881 226 3HG2 THR 28 3HG2 THR 28 1.924 -2.747 -15.263 227 H VAL 29 H VAL 29 1.399 -3.563 -12.869 228 HA VAL 29 HA VAL 29 -1.183 -2.270 -12.201 229 HB VAL 29 HB VAL 29 1.073 -2.952 -10.394 230 1HG1 VAL 29 2HG1 VAL 29 -1.450 -1.290 -9.798 231 2HG1 VAL 29 1HG1 VAL 29 -0.310 -1.866 -8.597 232 3HG1 VAL 29 3HG1 VAL 29 0.181 -0.650 -9.743 233 1HG2 VAL 29 3HG2 VAL 29 -0.696 -4.682 -10.955 234 2HG2 VAL 29 2HG2 VAL 29 -0.819 -4.167 -9.286 235 3HG2 VAL 29 1HG2 VAL 29 -1.932 -3.550 -10.486 236 H GLU 30 H GLU 30 -1.204 0.141 -11.960 237 HA GLU 30 HA GLU 30 1.312 1.457 -12.751 238 1HB GLU 30 2HB GLU 30 -0.265 1.686 -14.440 239 2HB GLU 30 1HB GLU 30 -1.526 2.112 -13.319 240 1HG GLU 30 2HG GLU 30 -0.330 4.251 -12.747 241 2HG GLU 30 1HG GLU 30 1.060 3.766 -13.700 242 H PHE 31 H PHE 31 2.128 2.941 -11.421 243 HA PHE 31 HA PHE 31 0.642 3.788 -8.964 244 1HB PHE 31 2HB PHE 31 3.634 3.552 -9.535 245 2HB PHE 31 1HB PHE 31 2.976 4.163 -8.032 246 HD1 PHE 31 HD1 PHE 31 3.191 1.171 -10.214 247 HD2 PHE 31 HD2 PHE 31 2.121 2.642 -6.379 248 HE1 PHE 31 HE1 PHE 31 2.989 -1.131 -9.397 249 HE2 PHE 31 HE2 PHE 31 1.918 0.329 -5.546 250 HZ PHE 31 HZ PHE 31 2.350 -1.556 -7.053 251 H LEU 32 H LEU 32 -0.358 5.644 -9.710 252 HA LEU 32 HA LEU 32 1.189 7.562 -11.296 253 1HB LEU 32 2HB LEU 32 -1.094 6.698 -11.930 254 2HB LEU 32 1HB LEU 32 -1.762 7.558 -10.564 255 HG LEU 32 HG LEU 32 -0.109 8.990 -12.713 256 1HD1 LEU 32 3HD1 LEU 32 -3.130 8.513 -12.605 257 2HD1 LEU 32 2HD1 LEU 32 -2.292 9.524 -13.773 258 3HD1 LEU 32 1HD1 LEU 32 -2.024 7.791 -13.758 259 1HD2 LEU 32 3HD2 LEU 32 -2.315 9.946 -10.812 260 2HD2 LEU 32 2HD2 LEU 32 -0.603 10.263 -10.583 261 3HD2 LEU 32 1HD2 LEU 32 -1.428 10.933 -11.959 262 H ASN 33 H ASN 33 2.070 9.153 -10.493 263 HA ASN 33 HA ASN 33 2.340 10.022 -7.784 264 1HB ASN 33 2HB ASN 33 4.009 9.977 -9.626 265 2HB ASN 33 1HB ASN 33 3.176 11.323 -10.352 266 1HD2 ASN 33 2HD2 ASN 33 5.375 13.319 -8.561 267 2HD2 ASN 33 1HD2 ASN 33 4.747 12.944 -10.103 268 H ASN 34 H ASN 34 -0.311 10.240 -8.130 269 HA ASN 34 HA ASN 34 -1.969 12.059 -8.888 270 1HB ASN 34 2HB ASN 34 -2.547 10.668 -6.993 271 2HB ASN 34 1HB ASN 34 -1.436 11.497 -5.923 272 1HD2 ASN 34 2HD2 ASN 34 -3.831 13.869 -5.108 273 2HD2 ASN 34 1HD2 ASN 34 -2.395 13.061 -4.680 274 H LYS 35 H LYS 35 -0.508 13.335 -6.045 275 HA LYS 35 HA LYS 35 0.224 15.952 -7.109 276 1HB LYS 35 2HB LYS 35 -2.005 15.836 -4.944 277 2HB LYS 35 1HB LYS 35 -1.396 17.289 -5.710 278 1HG LYS 35 2HG LYS 35 -2.212 16.207 -7.939 279 2HG LYS 35 1HG LYS 35 -3.130 15.135 -6.879 280 1HD LYS 35 2HD LYS 35 -3.905 17.629 -5.915 281 2HD LYS 35 1HD LYS 35 -3.431 18.090 -7.517 282 1HE LYS 35 2HE LYS 35 -5.934 16.802 -6.683 283 2HE LYS 35 1HE LYS 35 -5.540 17.635 -8.153 284 1HZ LYS 35 1HZ LYS 35 -4.136 15.190 -8.256 285 2HZ LYS 35 3HZ LYS 35 -5.627 14.853 -7.618 286 3HZ LYS 35 2HZ LYS 35 -5.505 15.576 -9.161 287 H VAL 36 H VAL 36 0.462 17.201 -4.573 288 HA VAL 36 HA VAL 36 2.491 17.208 -3.179 289 HB VAL 36 HB VAL 36 1.574 16.189 -0.995 290 1HG1 VAL 36 2HG1 VAL 36 -0.193 18.093 -2.617 291 2HG1 VAL 36 1HG1 VAL 36 -0.207 17.921 -0.867 292 3HG1 VAL 36 3HG1 VAL 36 1.206 18.567 -1.669 293 1HG2 VAL 36 2HG2 VAL 36 0.133 14.454 -2.068 294 2HG2 VAL 36 1HG2 VAL 36 -0.802 15.523 -1.040 295 3HG2 VAL 36 3HG2 VAL 36 -0.875 15.701 -2.778 296 HA PRO 37 HA PRO 37 4.967 13.338 -3.767 297 1HB PRO 37 2HB PRO 37 7.036 15.123 -4.554 298 2HB PRO 37 1HB PRO 37 6.047 14.155 -5.656 299 1HG PRO 37 2HG PRO 37 5.503 17.006 -4.648 300 2HG PRO 37 1HG PRO 37 5.569 16.461 -6.330 301 1HD PRO 37 2HD PRO 37 3.182 16.619 -5.252 302 2HD PRO 37 1HD PRO 37 3.561 15.047 -5.995 303 HA PRO 38 HA PRO 38 7.272 13.003 -3.929 304 1HB PRO 38 2HB PRO 38 9.585 12.201 -2.966 305 2HB PRO 38 1HB PRO 38 9.332 13.938 -3.194 306 1HG PRO 38 2HG PRO 38 9.019 12.334 -0.590 307 2HG PRO 38 1HG PRO 38 9.921 13.829 -0.826 308 1HD PRO 38 2HD PRO 38 7.240 13.695 0.079 309 2HD PRO 38 1HD PRO 38 7.951 15.147 -0.652 310 H HIS 39 HN HIP 39 6.536 10.986 -4.404 311 HA HIS 39 HA HIP 39 5.855 9.205 -2.088 312 1HB HIS 39 2HB HIP 39 4.763 9.036 -4.912 313 2HB HIS 39 1HB HIP 39 4.212 8.148 -3.514 314 HD2 HIS 39 HD2 HIP 39 3.794 11.466 -5.317 315 HE1 HIS 39 HE1 HIP 39 1.332 11.693 -1.987 316 HE2 HIS 39 HE2 HIP 39 1.976 12.714 -4.102 317 H ASN 40 H ASN 40 7.400 7.768 -1.660 318 HA ASN 40 HA ASN 40 8.575 6.108 -3.873 319 1HB ASN 40 2HB ASN 40 10.396 7.179 -2.700 320 2HB ASN 40 1HB ASN 40 9.626 6.947 -1.137 321 1HD2 ASN 40 2HD2 ASN 40 11.663 3.868 -2.658 322 2HD2 ASN 40 1HD2 ASN 40 11.283 5.132 -3.740 323 H VAL 41 H VAL 41 7.262 4.209 -3.912 324 HA VAL 41 HA VAL 41 6.122 3.295 -1.303 325 HB VAL 41 HB VAL 41 4.635 1.851 -2.589 326 1HG1 VAL 41 3HG1 VAL 41 4.550 4.820 -3.325 327 2HG1 VAL 41 2HG1 VAL 41 3.180 3.730 -3.458 328 3HG1 VAL 41 1HG1 VAL 41 3.870 4.075 -1.888 329 1HG2 VAL 41 3HG2 VAL 41 5.940 1.658 -4.756 330 2HG2 VAL 41 2HG2 VAL 41 4.344 2.289 -5.076 331 3HG2 VAL 41 1HG2 VAL 41 5.720 3.375 -5.046 332 H VAL 42 H VAL 42 6.942 1.801 -0.306 333 HA VAL 42 HA VAL 42 8.658 -0.221 -1.685 334 HB VAL 42 HB VAL 42 8.684 0.634 1.200 335 1HG1 VAL 42 3HG1 VAL 42 9.738 -1.593 0.604 336 2HG1 VAL 42 2HG1 VAL 42 10.720 -0.758 -0.601 337 3HG1 VAL 42 1HG1 VAL 42 10.951 -0.372 1.093 338 1HG2 VAL 42 2HG2 VAL 42 10.431 1.588 -1.125 339 2HG2 VAL 42 1HG2 VAL 42 9.268 2.556 -0.257 340 3HG2 VAL 42 3HG2 VAL 42 10.693 1.993 0.558 341 H PHE 43 H PHE 43 8.312 -2.436 -1.298 342 HA PHE 43 HA PHE 43 5.666 -3.278 -0.543 343 1HB PHE 43 2HB PHE 43 7.940 -4.550 -1.745 344 2HB PHE 43 1HB PHE 43 6.987 -5.646 -0.760 345 HD1 PHE 43 HD2 PHE 43 4.597 -6.021 -1.300 346 HD2 PHE 43 HD1 PHE 43 7.034 -3.604 -3.775 347 HE1 PHE 43 HE2 PHE 43 2.924 -6.148 -3.114 348 HE2 PHE 43 HE1 PHE 43 5.386 -3.718 -5.570 349 HZ PHE 43 HZ PHE 43 3.315 -5.003 -5.242 350 H ASP 44 H ASP 44 5.220 -4.818 1.331 351 HA ASP 44 HA ASP 44 6.927 -4.236 3.660 352 1HB ASP 44 2HB ASP 44 4.951 -4.816 4.866 353 2HB ASP 44 1HB ASP 44 4.288 -4.258 3.346 354 H ALA 45 H ALA 45 7.175 -6.129 5.226 355 HA ALA 45 HA ALA 45 8.554 -8.372 3.891 356 1HB ALA 45 2HB ALA 45 9.230 -6.966 6.451 357 2HB ALA 45 1HB ALA 45 10.096 -8.348 5.804 358 3HB ALA 45 3HB ALA 45 10.047 -6.847 4.897 359 H ALA 46 H ALA 46 5.837 -7.929 5.583 360 HA ALA 46 HA ALA 46 5.922 -10.468 7.169 361 1HB ALA 46 3HB ALA 46 4.206 -7.978 7.412 362 2HB ALA 46 2HB ALA 46 4.076 -9.372 8.469 363 3HB ALA 46 1HB ALA 46 5.541 -8.402 8.456 364 H LEU 47 H LEU 47 3.572 -8.560 5.394 365 HA LEU 47 HA LEU 47 1.899 -10.873 4.676 366 1HB LEU 47 2HB LEU 47 1.589 -7.943 3.941 367 2HB LEU 47 1HB LEU 47 0.341 -9.160 3.896 368 HG LEU 47 HG LEU 47 1.118 -9.307 6.573 369 1HD1 LEU 47 3HD1 LEU 47 2.654 -7.298 6.198 370 2HD1 LEU 47 2HD1 LEU 47 1.275 -6.383 5.692 371 3HD1 LEU 47 1HD1 LEU 47 1.379 -6.952 7.348 372 1HD2 LEU 47 1HD2 LEU 47 -1.206 -9.061 5.673 373 2HD2 LEU 47 3HD2 LEU 47 -0.916 -7.959 7.012 374 3HD2 LEU 47 2HD2 LEU 47 -0.889 -7.362 5.359 375 H ASN 48 H ASN 48 3.994 -11.513 3.521 376 HA ASN 48 HA ASN 48 3.768 -10.725 0.629 377 1HB ASN 48 2HB ASN 48 5.764 -9.774 1.574 378 2HB ASN 48 1HB ASN 48 6.214 -11.287 2.348 379 1HD2 ASN 48 2HD2 ASN 48 8.017 -12.251 -0.369 380 2HD2 ASN 48 1HD2 ASN 48 7.846 -12.158 1.310 381 HA PRO 49 HA PRO 49 1.678 -14.701 1.627 382 1HB PRO 49 2HB PRO 49 1.599 -15.424 -1.207 383 2HB PRO 49 1HB PRO 49 0.307 -14.818 -0.177 384 1HG PRO 49 2HG PRO 49 2.334 -13.295 -1.806 385 2HG PRO 49 1HG PRO 49 0.615 -12.925 -1.671 386 1HD PRO 49 2HD PRO 49 2.213 -11.384 -0.301 387 2HD PRO 49 1HD PRO 49 0.972 -12.185 0.692 388 H ALA 50 H ALA 50 4.278 -15.054 -0.735 389 HA ALA 50 HA ALA 50 4.876 -17.797 0.286 390 1HB ALA 50 1HB ALA 50 5.141 -17.200 -2.206 391 2HB ALA 50 3HB ALA 50 6.361 -16.022 -1.736 392 3HB ALA 50 2HB ALA 50 6.664 -17.728 -1.486 393 H LYS 51 H LYS 51 4.885 -16.279 2.229 394 HA LYS 51 HA LYS 51 6.126 -14.662 3.586 395 1HB LYS 51 2HB LYS 51 5.121 -16.757 4.479 396 2HB LYS 51 1HB LYS 51 6.629 -17.592 4.208 397 1HG LYS 51 2HG LYS 51 6.221 -16.876 6.620 398 2HG LYS 51 1HG LYS 51 7.758 -16.378 5.975 399 1HD LYS 51 2HD LYS 51 5.469 -14.410 5.584 400 2HD LYS 51 1HD LYS 51 5.941 -14.673 7.240 401 1HE LYS 51 2HE LYS 51 8.054 -13.789 7.001 402 2HE LYS 51 1HE LYS 51 8.205 -14.147 5.310 403 1HZ LYS 51 2HZ LYS 51 5.985 -12.359 5.681 404 2HZ LYS 51 1HZ LYS 51 7.379 -11.735 6.426 405 3HZ LYS 51 3HZ LYS 51 7.440 -12.108 4.821 406 H SER 52 H SER 52 7.633 -14.242 1.708 407 HA SER 52 HA SER 52 10.484 -14.715 2.478 408 1HB SER 52 2HB SER 52 10.826 -13.735 0.009 409 2HB SER 52 1HB SER 52 10.265 -15.389 0.208 410 HG SER 52 HG SER 52 8.308 -14.818 -0.257 411 H ALA 53 H ALA 53 11.745 -12.658 1.567 412 HA ALA 53 HA ALA 53 10.533 -10.070 2.530 413 1HB ALA 53 3HB ALA 53 12.070 -11.112 4.285 414 2HB ALA 53 2HB ALA 53 13.356 -11.191 3.095 415 3HB ALA 53 1HB ALA 53 12.772 -9.631 3.653 416 H ASP 54 H ASP 54 13.176 -11.585 1.026 417 HA ASP 54 HA ASP 54 14.434 -9.872 -0.646 418 1HB ASP 54 2HB ASP 54 14.769 -12.198 -1.907 419 2HB ASP 54 1HB ASP 54 15.151 -12.191 -0.196 420 H LEU 55 H LEU 55 11.942 -11.964 -1.982 421 HA LEU 55 HA LEU 55 11.477 -10.731 -4.438 422 1HB LEU 55 2HB LEU 55 10.500 -12.897 -3.542 423 2HB LEU 55 1HB LEU 55 9.398 -12.004 -2.550 424 HG LEU 55 HG LEU 55 8.311 -12.903 -4.608 425 1HD1 LEU 55 2HD1 LEU 55 7.408 -10.762 -3.668 426 2HD1 LEU 55 1HD1 LEU 55 8.457 -9.848 -4.745 427 3HD1 LEU 55 3HD1 LEU 55 7.216 -10.880 -5.403 428 1HD2 LEU 55 1HD2 LEU 55 10.279 -12.788 -6.101 429 2HD2 LEU 55 3HD2 LEU 55 8.889 -11.984 -6.795 430 3HD2 LEU 55 2HD2 LEU 55 10.188 -11.030 -6.111 431 H ALA 56 H ALA 56 9.353 -10.137 -1.703 432 HA ALA 56 HA ALA 56 7.913 -7.939 -2.456 433 1HB ALA 56 1HB ALA 56 9.242 -8.445 0.250 434 2HB ALA 56 3HB ALA 56 7.863 -7.394 0.018 435 3HB ALA 56 2HB ALA 56 7.714 -9.099 -0.294 436 H LYS 57 H LYS 57 11.026 -7.407 -0.823 437 HA LYS 57 HA LYS 57 10.933 -4.560 -1.647 438 1HB LYS 57 2HB LYS 57 13.322 -6.140 -0.452 439 2HB LYS 57 1HB LYS 57 13.098 -4.415 -0.302 440 1HG LYS 57 2HG LYS 57 11.316 -6.580 0.972 441 2HG LYS 57 1HG LYS 57 12.579 -5.746 1.804 442 1HD LYS 57 2HD LYS 57 10.289 -4.140 0.568 443 2HD LYS 57 1HD LYS 57 10.036 -4.994 2.059 444 1HE LYS 57 2HE LYS 57 12.018 -3.739 3.049 445 2HE LYS 57 1HE LYS 57 12.107 -2.801 1.559 446 1HZ LYS 57 3HZ LYS 57 9.416 -2.865 2.371 447 2HZ LYS 57 2HZ LYS 57 10.250 -2.400 3.736 448 3HZ LYS 57 1HZ LYS 57 10.333 -1.493 2.376 449 H SER 58 H SER 58 12.227 -7.403 -3.034 450 HA SER 58 HA SER 58 14.182 -6.144 -4.799 451 1HB SER 58 2HB SER 58 14.041 -8.665 -4.528 452 2HB SER 58 1HB SER 58 12.501 -8.636 -5.405 453 HG SER 58 HG SER 58 13.726 -8.421 -7.184 454 H LEU 59 H LEU 59 10.868 -6.922 -4.864 455 HA LEU 59 HA LEU 59 10.023 -5.937 -7.412 456 1HB LEU 59 2HB LEU 59 8.917 -7.740 -6.138 457 2HB LEU 59 1HB LEU 59 8.535 -6.637 -4.848 458 HG LEU 59 HG LEU 59 7.088 -5.314 -6.425 459 1HD1 LEU 59 2HD1 LEU 59 7.657 -7.671 -8.286 460 2HD1 LEU 59 1HD1 LEU 59 6.481 -6.402 -8.576 461 3HD1 LEU 59 3HD1 LEU 59 8.187 -6.015 -8.558 462 1HD2 LEU 59 1HD2 LEU 59 6.511 -8.304 -6.204 463 2HD2 LEU 59 3HD2 LEU 59 6.182 -7.108 -4.956 464 3HD2 LEU 59 2HD2 LEU 59 5.311 -7.055 -6.473 465 H SER 60 H SER 60 9.288 -4.389 -4.106 466 HA SER 60 HA SER 60 8.050 -2.170 -5.262 467 1HB SER 60 2HB SER 60 9.115 -2.938 -2.751 468 2HB SER 60 1HB SER 60 9.684 -1.281 -3.019 469 HG SER 60 HG SER 60 7.569 -0.599 -3.220 470 H HIS 61 H HIS 61 8.516 0.114 -4.865 471 HA HIS 61 HA HIS 61 10.502 0.855 -6.860 472 1HB HIS 61 2HB HIS 61 8.344 2.238 -5.288 473 2HB HIS 61 1HB HIS 61 9.703 3.277 -5.668 474 HD1 HIS 61 HD1 HIS 61 10.391 2.672 -8.398 475 HD2 HIS 61 HD2 HIS 61 6.479 2.508 -7.278 476 HE1 HIS 61 HE1 HIS 61 9.047 2.924 -10.483 477 H LYS 62 H LYS 62 12.112 2.469 -6.416 478 HA LYS 62 HA LYS 62 13.390 2.255 -3.693 479 1HB LYS 62 2HB LYS 62 14.864 1.953 -6.363 480 2HB LYS 62 1HB LYS 62 15.507 1.612 -4.757 481 1HG LYS 62 2HG LYS 62 13.448 0.000 -4.464 482 2HG LYS 62 1HG LYS 62 13.170 0.183 -6.183 483 1HD LYS 62 2HD LYS 62 15.281 -1.010 -6.663 484 2HD LYS 62 1HD LYS 62 15.480 -1.273 -4.924 485 1HE LYS 62 2HE LYS 62 12.980 -2.110 -4.956 486 2HE LYS 62 1HE LYS 62 13.128 -2.174 -6.700 487 1HZ LYS 62 3HZ LYS 62 15.389 -3.463 -5.566 488 2HZ LYS 62 2HZ LYS 62 13.936 -3.979 -4.807 489 3HZ LYS 62 1HZ LYS 62 14.094 -4.147 -6.458 490 H GLN 63 H GLN 63 13.034 3.899 -6.626 491 HA GLN 63 HA GLN 63 14.355 6.333 -5.624 492 1HB GLN 63 2HB GLN 63 14.509 6.928 -7.956 493 2HB GLN 63 1HB GLN 63 14.639 5.193 -7.991 494 1HG GLN 63 2HG GLN 63 12.233 6.891 -8.810 495 2HG GLN 63 1HG GLN 63 13.047 5.663 -9.738 496 1HE2 GLN 63 2HE2 GLN 63 9.696 4.626 -8.218 497 2HE2 GLN 63 1HE2 GLN 63 10.171 6.193 -8.665 498 H LEU 64 H LEU 64 12.711 8.376 -6.654 499 HA LEU 64 HA LEU 64 9.980 7.736 -5.561 500 1HB LEU 64 2HB LEU 64 10.046 9.964 -4.410 501 2HB LEU 64 1HB LEU 64 11.316 8.897 -3.879 502 HG LEU 64 HG LEU 64 12.863 10.134 -5.568 503 1HD1 LEU 64 2HD1 LEU 64 10.601 12.162 -5.286 504 2HD1 LEU 64 1HD1 LEU 64 12.167 12.460 -6.009 505 3HD1 LEU 64 3HD1 LEU 64 11.051 11.359 -6.776 506 1HD2 LEU 64 2HD2 LEU 64 11.719 11.593 -3.148 507 2HD2 LEU 64 1HD2 LEU 64 12.973 10.369 -3.101 508 3HD2 LEU 64 3HD2 LEU 64 13.275 11.901 -3.892 509 H LEU 65 H LEU 65 8.257 9.213 -6.196 510 HA LEU 65 HA LEU 65 8.414 9.745 -9.101 511 1HB LEU 65 2HB LEU 65 6.076 10.112 -7.181 512 2HB LEU 65 1HB LEU 65 6.011 9.994 -8.925 513 HG LEU 65 HG LEU 65 6.906 7.722 -7.078 514 1HD1 LEU 65 3HD1 LEU 65 4.463 8.268 -7.009 515 2HD1 LEU 65 2HD1 LEU 65 4.382 8.102 -8.751 516 3HD1 LEU 65 1HD1 LEU 65 4.764 6.710 -7.761 517 1HD2 LEU 65 2HD2 LEU 65 7.957 7.682 -9.374 518 2HD2 LEU 65 1HD2 LEU 65 6.815 6.379 -9.125 519 3HD2 LEU 65 3HD2 LEU 65 6.349 7.777 -10.080 520 H MET 66 H MET 66 10.015 11.282 -8.662 521 HA MET 66 HA MET 66 9.767 13.854 -7.509 522 1HB MET 66 2HB MET 66 11.894 12.725 -8.277 523 2HB MET 66 1HB MET 66 11.422 13.003 -9.932 524 1HG MET 66 2HG MET 66 11.521 15.421 -9.619 525 2HG MET 66 1HG MET 66 11.777 15.248 -7.909 526 1HE MET 66 2HE MET 66 13.905 15.452 -6.834 527 2HE MET 66 1HE MET 66 13.995 13.687 -7.065 528 3HE MET 66 3HE MET 66 15.377 14.706 -7.415 529 H SER 67 H SER 67 8.317 12.895 -10.499 530 HA SER 67 HA SER 67 7.854 15.767 -11.274 531 1HB SER 67 2HB SER 67 7.598 13.249 -12.911 532 2HB SER 67 1HB SER 67 7.315 14.894 -13.503 533 HG SER 67 HG SER 67 9.628 14.730 -12.035 534 HA PRO 68 HA PRO 68 3.726 15.056 -9.114 535 1HB PRO 68 2HB PRO 68 3.146 17.669 -10.293 536 2HB PRO 68 1HB PRO 68 3.367 17.268 -8.592 537 1HG PRO 68 2HG PRO 68 5.424 18.207 -10.621 538 2HG PRO 68 1HG PRO 68 5.393 18.534 -8.889 539 1HD PRO 68 2HD PRO 68 7.160 16.800 -9.795 540 2HD PRO 68 1HD PRO 68 6.231 16.265 -8.386 541 H GLY 69 H GLY 69 2.409 13.674 -10.022 542 1HA GLY 69 2HA GLY 69 0.464 13.330 -11.542 543 2HA GLY 69 1HA GLY 69 1.361 14.155 -12.816 544 H GLN 70 H GLN 70 3.768 13.012 -12.538 545 HA GLN 70 HA GLN 70 4.319 11.137 -14.193 546 1HB GLN 70 2HB GLN 70 5.951 11.935 -12.720 547 2HB GLN 70 1HB GLN 70 5.193 11.270 -11.308 548 1HG GLN 70 2HG GLN 70 5.917 8.999 -11.887 549 2HG GLN 70 1HG GLN 70 6.460 9.514 -13.479 550 1HE2 GLN 70 2HE2 GLN 70 9.587 9.685 -11.848 551 2HE2 GLN 70 1HE2 GLN 70 8.641 8.721 -12.891 552 H SER 71 H SER 71 3.560 9.433 -15.040 553 HA SER 71 HA SER 71 2.005 7.357 -13.618 554 1HB SER 71 2HB SER 71 1.499 6.714 -16.056 555 2HB SER 71 1HB SER 71 1.001 8.354 -15.613 556 HG SER 71 HG SER 71 3.335 7.454 -16.921 557 H THR 72 H THR 72 3.546 5.988 -12.628 558 HA THR 72 HA THR 72 5.546 4.679 -14.496 559 HB THR 72 HB THR 72 6.616 5.817 -12.567 560 HG1 THR 72 HG1 THR 72 7.074 3.335 -11.771 561 1HG2 THR 72 1HG2 THR 72 5.267 3.605 -10.928 562 2HG2 THR 72 3HG2 THR 72 6.424 4.784 -10.352 563 3HG2 THR 72 2HG2 THR 72 4.807 5.293 -10.796 564 H SER 73 H SER 73 5.363 2.548 -14.916 565 HA SER 73 HA SER 73 3.293 0.998 -13.364 566 1HB SER 73 2HB SER 73 2.650 1.434 -15.654 567 2HB SER 73 1HB SER 73 4.081 0.567 -16.232 568 HG SER 73 HG SER 73 2.283 -0.578 -14.323 569 H THR 74 H THR 74 3.463 -1.161 -13.009 570 HA THR 74 HA THR 74 6.126 -2.515 -13.276 571 HB THR 74 HB THR 74 4.481 -2.515 -10.677 572 HG1 THR 74 HG1 THR 74 6.374 -0.879 -11.813 573 1HG2 THR 74 3HG2 THR 74 7.371 -3.331 -11.301 574 2HG2 THR 74 2HG2 THR 74 6.546 -3.463 -9.767 575 3HG2 THR 74 1HG2 THR 74 6.096 -4.531 -11.087 576 H THR 75 H THR 75 6.073 -4.623 -13.721 577 HA THR 75 HA THR 75 3.395 -6.009 -14.015 578 HB THR 75 HB THR 75 6.007 -6.572 -15.535 579 HG1 THR 75 HG1 THR 75 4.947 -5.557 -17.078 580 1HG2 THR 75 2HG2 THR 75 3.179 -7.770 -15.901 581 2HG2 THR 75 1HG2 THR 75 4.600 -8.167 -16.838 582 3HG2 THR 75 3HG2 THR 75 4.479 -8.692 -15.181 583 H PHE 76 H PHE 76 3.316 -8.293 -13.389 584 HA PHE 76 HA PHE 76 5.399 -8.991 -11.340 585 1HB PHE 76 2HB PHE 76 2.478 -9.844 -11.515 586 2HB PHE 76 1HB PHE 76 3.575 -10.216 -10.199 587 HD1 PHE 76 HD1 PHE 76 1.816 -7.483 -11.956 588 HD2 PHE 76 HD2 PHE 76 4.092 -8.538 -8.530 589 HE1 PHE 76 HE1 PHE 76 1.282 -5.335 -10.963 590 HE2 PHE 76 HE2 PHE 76 3.548 -6.360 -7.508 591 HZ PHE 76 HZ PHE 76 2.140 -4.754 -8.723 592 HA PRO 77 HA PRO 77 5.958 -12.755 -13.656 593 1HB PRO 77 2HB PRO 77 8.809 -12.283 -13.848 594 2HB PRO 77 1HB PRO 77 7.661 -12.559 -15.121 595 1HG PRO 77 2HG PRO 77 8.852 -9.968 -14.736 596 2HG PRO 77 1HG PRO 77 7.266 -10.165 -15.480 597 1HD PRO 77 2HD PRO 77 7.806 -9.583 -12.480 598 2HD PRO 77 1HD PRO 77 6.673 -8.782 -13.584 599 H ALA 78 H ALA 78 8.880 -11.531 -12.294 600 HA ALA 78 HA ALA 78 10.021 -12.997 -10.506 601 1HB ALA 78 1HB ALA 78 10.237 -10.429 -10.455 602 2HB ALA 78 3HB ALA 78 8.709 -10.355 -9.584 603 3HB ALA 78 2HB ALA 78 10.112 -11.080 -8.827 604 H ASP 79 H ASP 79 8.819 -14.707 -10.405 605 HA ASP 79 HA ASP 79 6.386 -15.337 -9.812 606 1HB ASP 79 2HB ASP 79 9.080 -16.432 -8.506 607 2HB ASP 79 1HB ASP 79 7.720 -17.522 -8.705 608 H ALA 80 H ALA 80 5.674 -13.820 -9.214 609 HA ALA 80 HA ALA 80 4.884 -13.505 -6.342 610 1HB ALA 80 3HB ALA 80 4.807 -11.624 -8.760 611 2HB ALA 80 2HB ALA 80 4.239 -11.156 -7.166 612 3HB ALA 80 1HB ALA 80 5.934 -11.524 -7.431 613 HA PRO 81 HA PRO 81 0.998 -15.172 -8.397 614 1HB PRO 81 2HB PRO 81 0.911 -17.658 -7.485 615 2HB PRO 81 1HB PRO 81 2.168 -17.232 -8.644 616 1HG PRO 81 2HG PRO 81 2.353 -17.127 -5.554 617 2HG PRO 81 1HG PRO 81 3.357 -18.131 -6.611 618 1HD PRO 81 2HD PRO 81 4.217 -15.627 -5.841 619 2HD PRO 81 1HD PRO 81 4.506 -16.250 -7.485 620 H ALA 82 H ALA 82 -0.700 -16.623 -7.086 621 HA ALA 82 HA ALA 82 -2.438 -15.236 -5.748 622 1HB ALA 82 2HB ALA 82 -2.632 -17.607 -6.260 623 2HB ALA 82 1HB ALA 82 -1.524 -18.007 -4.971 624 3HB ALA 82 3HB ALA 82 -3.123 -17.381 -4.580 625 H GLY 83 H GLY 83 -3.042 -14.312 -3.933 626 1HA GLY 83 2HA GLY 83 -2.930 -14.219 -1.374 627 2HA GLY 83 1HA GLY 83 -1.196 -14.267 -1.533 628 H GLU 84 H GLU 84 -2.093 -12.550 0.037 629 HA GLU 84 HA GLU 84 -2.469 -9.891 -1.185 630 1HB GLU 84 2HB GLU 84 -2.539 -10.709 1.725 631 2HB GLU 84 1HB GLU 84 -3.150 -9.208 1.060 632 1HG GLU 84 2HG GLU 84 -5.016 -10.854 1.550 633 2HG GLU 84 1HG GLU 84 -4.960 -10.533 -0.162 634 H TYR 85 H TYR 85 -0.830 -8.670 -1.600 635 HA TYR 85 HA TYR 85 1.649 -8.573 0.128 636 1HB TYR 85 2HB TYR 85 1.430 -7.563 -2.694 637 2HB TYR 85 1HB TYR 85 2.871 -7.764 -1.726 638 HD1 TYR 85 HD2 TYR 85 0.146 -9.752 -3.348 639 HD2 TYR 85 HD1 TYR 85 4.173 -9.680 -1.915 640 HE1 TYR 85 HE2 TYR 85 0.584 -11.946 -4.396 641 HE2 TYR 85 HE1 TYR 85 4.561 -11.877 -2.981 642 HH TYR 85 HH TYR 85 1.969 -13.522 -4.673 643 H THR 86 H THR 86 2.242 -6.469 1.101 644 HA THR 86 HA THR 86 0.501 -4.145 0.318 645 HB THR 86 HB THR 86 1.741 -4.824 3.016 646 HG1 THR 86 HG1 THR 86 -0.190 -5.587 2.874 647 1HG2 THR 86 1HG2 THR 86 0.118 -2.357 2.176 648 2HG2 THR 86 3HG2 THR 86 0.686 -2.750 3.803 649 3HG2 THR 86 2HG2 THR 86 1.834 -2.270 2.568 650 H PHE 87 H PHE 87 1.279 -2.328 -0.291 651 HA PHE 87 HA PHE 87 4.153 -1.808 -0.320 652 1HB PHE 87 2HB PHE 87 3.179 -0.111 -2.226 653 2HB PHE 87 1HB PHE 87 3.935 -1.666 -2.505 654 HD1 PHE 87 HD2 PHE 87 2.423 -3.687 -2.461 655 HD2 PHE 87 HD1 PHE 87 0.986 0.256 -2.967 656 HE1 PHE 87 HE2 PHE 87 0.422 -4.590 -3.465 657 HE2 PHE 87 HE1 PHE 87 -1.054 -0.605 -3.999 658 HZ PHE 87 HZ PHE 87 -1.373 -3.045 -4.273 659 H TYR 88 H TYR 88 4.721 -0.019 0.992 660 HA TYR 88 HA TYR 88 2.656 2.000 1.635 661 1HB TYR 88 2HB TYR 88 3.955 2.346 3.761 662 2HB TYR 88 1HB TYR 88 3.384 0.699 3.564 663 HD1 TYR 88 HD1 TYR 88 4.969 -1.121 2.878 664 HD2 TYR 88 HD2 TYR 88 6.298 2.843 3.671 665 HE1 TYR 88 HE1 TYR 88 7.252 -1.917 3.021 666 HE2 TYR 88 HE2 TYR 88 8.570 2.049 3.807 667 HH TYR 88 HH TYR 88 9.762 0.432 3.971 668 H CYS 89 H CYS 89 3.021 4.156 1.341 669 HA CYS 89 HA CYS 89 5.363 4.974 -0.299 670 1HB CYS 89 2HB CYS 89 3.010 5.789 -0.762 671 2HB CYS 89 1HB CYS 89 3.071 6.611 0.776 672 H GLU 90 H GLU 90 6.613 4.292 1.745 673 HA GLU 90 HA GLU 90 7.137 5.234 4.126 674 1HB GLU 90 2HB GLU 90 8.678 3.953 2.722 675 2HB GLU 90 1HB GLU 90 9.225 5.362 1.878 676 1HG GLU 90 2HG GLU 90 10.790 4.753 3.782 677 2HG GLU 90 1HG GLU 90 10.077 6.318 4.103 678 HA PRO 91 HA PRO 91 8.862 9.772 3.435 679 1HB PRO 91 2HB PRO 91 7.986 10.940 1.044 680 2HB PRO 91 1HB PRO 91 9.582 10.215 1.282 681 1HG PRO 91 2HG PRO 91 7.029 8.862 0.240 682 2HG PRO 91 1HG PRO 91 8.618 8.914 -0.552 683 1HD PRO 91 2HD PRO 91 8.037 6.734 0.867 684 2HD PRO 91 1HD PRO 91 9.598 7.495 1.254 685 H HIS 92 HN HIP 92 5.779 8.755 2.505 686 HA HIS 92 HA HIP 92 4.431 11.007 3.970 687 1HB HIS 92 2HB HIP 92 3.437 9.313 1.668 688 2HB HIS 92 1HB HIP 92 2.454 10.495 2.503 689 HD2 HIS 92 HD2 HIP 92 4.535 13.093 2.442 690 HE1 HIS 92 HE1 HIP 92 4.371 12.364 -1.665 691 HE2 HIS 92 HE2 HIP 92 4.898 13.984 0.061 692 H ARG 93 H ARG 93 5.357 8.080 4.553 693 HA ARG 93 HA ARG 93 2.894 6.733 5.462 694 1HB ARG 93 2HB ARG 93 4.933 5.680 4.467 695 2HB ARG 93 1HB ARG 93 5.867 6.113 5.836 696 1HG ARG 93 2HG ARG 93 3.468 4.172 5.698 697 2HG ARG 93 1HG ARG 93 5.132 3.705 5.911 698 1HD ARG 93 2HD ARG 93 3.476 5.214 7.985 699 2HD ARG 93 1HD ARG 93 3.789 3.500 8.012 700 HE ARG 93 HE ARG 93 5.578 4.723 9.412 701 1HH1 ARG 93 2HH1 ARG 93 6.965 3.053 7.549 702 2HH1 ARG 93 1HH1 ARG 93 8.163 4.150 6.973 703 1HH2 ARG 93 1HH2 ARG 93 6.384 6.825 8.094 704 2HH2 ARG 93 2HH2 ARG 93 7.855 6.304 7.284 705 H GLY 94 H GLY 94 2.484 8.641 6.361 706 1HA GLY 94 2HA GLY 94 2.657 8.866 9.308 707 2HA GLY 94 1HA GLY 94 3.008 10.330 8.369 708 H ALA 95 H ALA 95 1.275 9.841 6.240 709 HA ALA 95 HA ALA 95 -1.397 10.287 7.521 710 1HB ALA 95 3HB ALA 95 -0.247 11.152 4.817 711 2HB ALA 95 2HB ALA 95 -1.842 11.570 5.413 712 3HB ALA 95 1HB ALA 95 -0.416 12.182 6.235 713 H GLY 96 H GLY 96 -0.597 7.752 7.289 714 1HA GLY 96 2HA GLY 96 -1.689 5.669 6.843 715 2HA GLY 96 1HA GLY 96 -2.762 6.501 5.749 716 H MET 97 H MET 97 -1.509 7.276 3.814 717 HA MET 97 HA MET 97 -1.167 6.120 1.664 718 1HB MET 97 2HB MET 97 1.543 6.819 2.874 719 2HB MET 97 1HB MET 97 1.151 6.687 1.169 720 1HG MET 97 2HG MET 97 -0.763 8.488 2.245 721 2HG MET 97 1HG MET 97 0.755 8.962 2.909 722 1HE MET 97 1HE MET 97 -1.525 8.450 0.194 723 2HE MET 97 3HE MET 97 -1.386 10.053 -0.508 724 3HE MET 97 2HE MET 97 -0.635 8.669 -1.300 725 H VAL 98 H VAL 98 -1.622 3.773 2.912 726 HA VAL 98 HA VAL 98 0.529 1.885 2.091 727 HB VAL 98 HB VAL 98 -0.716 0.302 3.593 728 1HG1 VAL 98 3HG1 VAL 98 0.668 2.725 4.782 729 2HG1 VAL 98 2HG1 VAL 98 0.444 1.206 5.621 730 3HG1 VAL 98 1HG1 VAL 98 1.459 1.282 4.197 731 1HG2 VAL 98 3HG2 VAL 98 -2.818 1.652 3.953 732 2HG2 VAL 98 2HG2 VAL 98 -1.989 1.325 5.472 733 3HG2 VAL 98 1HG2 VAL 98 -1.851 2.884 4.715 734 H GLY 99 H GLY 99 0.047 0.705 0.189 735 1HA GLY 99 2HA GLY 99 -2.864 0.075 -0.440 736 2HA GLY 99 1HA GLY 99 -1.626 0.335 -1.660 737 H LYS 100 H LYS 100 -3.279 -1.957 -1.470 738 HA LYS 100 HA LYS 100 -1.091 -3.972 -1.316 739 1HB LYS 100 2HB LYS 100 -3.042 -5.556 -0.268 740 2HB LYS 100 1HB LYS 100 -1.902 -4.680 0.703 741 1HG LYS 100 2HG LYS 100 -4.466 -3.282 -0.104 742 2HG LYS 100 1HG LYS 100 -4.556 -4.533 1.127 743 1HD LYS 100 2HD LYS 100 -2.992 -3.458 2.568 744 2HD LYS 100 1HD LYS 100 -2.341 -2.438 1.327 745 1HE LYS 100 2HE LYS 100 -4.533 -1.211 1.249 746 2HE LYS 100 1HE LYS 100 -5.082 -2.199 2.613 747 1HZ LYS 100 2HZ LYS 100 -2.461 -1.294 3.133 748 2HZ LYS 100 1HZ LYS 100 -3.346 0.054 2.661 749 3HZ LYS 100 3HZ LYS 100 -3.847 -0.859 4.003 750 H ILE 101 H ILE 101 -1.175 -5.658 -2.485 751 HA ILE 101 HA ILE 101 -3.248 -5.840 -4.668 752 HB ILE 101 HB ILE 101 -0.545 -5.437 -5.060 753 1HG1 ILE 101 2HG1 ILE 101 -2.593 -6.881 -6.772 754 2HG1 ILE 101 1HG1 ILE 101 -2.215 -5.178 -6.764 755 1HG2 ILE 101 3HG2 ILE 101 0.009 -7.773 -4.191 756 2HG2 ILE 101 2HG2 ILE 101 -0.983 -8.445 -5.468 757 3HG2 ILE 101 1HG2 ILE 101 0.477 -7.568 -5.860 758 1HD1 ILE 101 2HD1 ILE 101 0.101 -5.660 -7.657 759 2HD1 ILE 101 1HD1 ILE 101 -0.289 -7.364 -7.739 760 3HD1 ILE 101 3HD1 ILE 101 -1.129 -6.242 -8.749 761 H THR 102 H THR 102 -4.379 -7.636 -4.706 762 HA THR 102 HA THR 102 -3.736 -10.053 -3.041 763 HB THR 102 HB THR 102 -6.456 -8.970 -3.945 764 HG1 THR 102 HG1 THR 102 -5.616 -9.441 -1.354 765 1HG2 THR 102 2HG2 THR 102 -5.693 -11.241 -2.044 766 2HG2 THR 102 1HG2 THR 102 -7.315 -10.709 -2.418 767 3HG2 THR 102 3HG2 THR 102 -6.349 -11.533 -3.631 768 H VAL 103 H VAL 103 -2.661 -11.416 -4.594 769 HA VAL 103 HA VAL 103 -3.829 -11.443 -7.320 770 HB VAL 103 HB VAL 103 -1.506 -13.166 -6.376 771 1HG1 VAL 103 2HG1 VAL 103 -2.098 -11.914 -9.069 772 2HG1 VAL 103 1HG1 VAL 103 -0.714 -12.911 -8.645 773 3HG1 VAL 103 3HG1 VAL 103 -2.314 -13.605 -8.635 774 1HG2 VAL 103 2HG2 VAL 103 -1.291 -10.246 -7.101 775 2HG2 VAL 103 1HG2 VAL 103 -0.957 -10.956 -5.551 776 3HG2 VAL 103 3HG2 VAL 103 0.050 -11.366 -6.920 777 H ALA 104 H ALA 104 -4.928 -12.937 -8.193 778 HA ALA 104 HA ALA 104 -5.905 -15.287 -6.610 779 1HB ALA 104 3HB ALA 104 -7.590 -13.536 -7.236 780 2HB ALA 104 2HB ALA 104 -7.148 -13.715 -8.928 781 3HB ALA 104 1HB ALA 104 -7.943 -15.036 -8.088 782 H GLY 105 HN GLY 105 -3.825 -16.126 -7.271 783 1HA GLY 105 2HA GLY 105 -3.560 -18.383 -8.552 784 2HA GLY 105 1HA GLY 105 -3.631 -17.357 -9.980 No H/Q in entry = 784 Start of MODEL 12 1 1H GLU 1 3H GLU 1 -4.301 -5.527 -15.868 2 2H GLU 1 2H GLU 1 -4.831 -5.806 -17.479 3 3H GLU 1 1H GLU 1 -3.722 -6.852 -16.691 4 HA GLU 1 HA GLU 1 -2.003 -5.731 -17.267 5 1HB GLU 1 2HB GLU 1 -3.988 -5.046 -19.207 6 2HB GLU 1 1HB GLU 1 -3.448 -3.471 -18.655 7 1HG GLU 1 2HG GLU 1 -1.716 -5.645 -19.953 8 2HG GLU 1 1HG GLU 1 -1.967 -3.997 -20.482 9 H THR 2 H THR 2 -1.066 -3.192 -17.119 10 HA THR 2 HA THR 2 -1.080 -2.364 -14.453 11 HB THR 2 HB THR 2 0.500 -1.826 -16.537 12 HG1 THR 2 HG1 THR 2 0.932 -1.065 -14.426 13 1HG2 THR 2 2HG2 THR 2 -1.199 -0.467 -17.723 14 2HG2 THR 2 1HG2 THR 2 -1.122 0.687 -16.383 15 3HG2 THR 2 3HG2 THR 2 0.315 0.340 -17.323 16 H TYR 3 H TYR 3 -3.000 -2.700 -13.802 17 HA TYR 3 HA TYR 3 -5.291 -1.083 -14.217 18 1HB TYR 3 2HB TYR 3 -4.295 -2.394 -11.636 19 2HB TYR 3 1HB TYR 3 -5.909 -1.773 -11.822 20 HD1 TYR 3 HD2 TYR 3 -7.531 -2.941 -13.296 21 HD2 TYR 3 HD1 TYR 3 -3.674 -4.573 -12.583 22 HE1 TYR 3 HE2 TYR 3 -8.304 -5.150 -14.079 23 HE2 TYR 3 HE1 TYR 3 -4.464 -6.763 -13.354 24 HH TYR 3 HH TYR 3 -7.464 -7.532 -13.419 25 H THR 4 H THR 4 -5.414 1.041 -14.145 26 HA THR 4 HA THR 4 -3.668 2.869 -13.019 27 HB THR 4 HB THR 4 -6.674 3.306 -13.543 28 HG1 THR 4 HG1 THR 4 -4.346 3.573 -15.157 29 1HG2 THR 4 3HG2 THR 4 -4.273 5.174 -13.895 30 2HG2 THR 4 2HG2 THR 4 -5.949 5.553 -14.211 31 3HG2 THR 4 1HG2 THR 4 -5.395 5.314 -12.559 32 H VAL 5 H VAL 5 -3.053 2.768 -10.932 33 HA VAL 5 HA VAL 5 -5.153 3.265 -8.843 34 HB VAL 5 HB VAL 5 -2.294 2.170 -8.542 35 1HG1 VAL 5 2HG1 VAL 5 -3.054 3.481 -6.535 36 2HG1 VAL 5 1HG1 VAL 5 -4.509 2.501 -6.462 37 3HG1 VAL 5 3HG1 VAL 5 -2.936 1.767 -6.187 38 1HG2 VAL 5 3HG2 VAL 5 -3.926 0.555 -9.528 39 2HG2 VAL 5 2HG2 VAL 5 -3.452 0.067 -7.912 40 3HG2 VAL 5 1HG2 VAL 5 -5.017 0.825 -8.179 41 H LYS 6 H LYS 6 -4.989 4.927 -7.544 42 HA LYS 6 HA LYS 6 -3.155 7.166 -8.224 43 1HB LYS 6 2HB LYS 6 -5.525 7.556 -8.679 44 2HB LYS 6 1HB LYS 6 -5.982 6.988 -7.098 45 1HG LYS 6 2HG LYS 6 -5.679 8.934 -6.119 46 2HG LYS 6 1HG LYS 6 -4.097 9.201 -6.777 47 1HD LYS 6 2HD LYS 6 -5.189 10.953 -7.962 48 2HD LYS 6 1HD LYS 6 -5.712 9.682 -9.022 49 1HE LYS 6 2HE LYS 6 -7.589 11.142 -8.351 50 2HE LYS 6 1HE LYS 6 -7.842 9.501 -7.776 51 1HZ LYS 6 1HZ LYS 6 -6.367 10.840 -5.789 52 2HZ LYS 6 3HZ LYS 6 -7.594 11.903 -6.282 53 3HZ LYS 6 2HZ LYS 6 -7.976 10.344 -5.751 54 H LEU 7 H LEU 7 -1.725 7.817 -6.897 55 HA LEU 7 HA LEU 7 -1.567 6.854 -4.092 56 1HB LEU 7 2HB LEU 7 0.496 8.477 -5.575 57 2HB LEU 7 1HB LEU 7 0.773 7.370 -4.265 58 HG LEU 7 HG LEU 7 -0.154 6.376 -7.001 59 1HD1 LEU 7 2HD1 LEU 7 2.011 7.663 -7.179 60 2HD1 LEU 7 1HD1 LEU 7 2.691 6.681 -5.899 61 3HD1 LEU 7 3HD1 LEU 7 2.264 5.963 -7.437 62 1HD2 LEU 7 1HD2 LEU 7 -0.347 4.903 -4.989 63 2HD2 LEU 7 3HD2 LEU 7 0.833 4.304 -6.138 64 3HD2 LEU 7 2HD2 LEU 7 1.369 5.118 -4.678 65 H GLY 8 H GLY 8 -3.243 8.155 -3.504 66 1HA GLY 8 2HA GLY 8 -3.388 10.030 -1.820 67 2HA GLY 8 1HA GLY 8 -2.655 11.073 -3.018 68 H SER 9 H SER 9 -4.969 11.509 -1.657 69 HA SER 9 HA SER 9 -7.086 11.501 -3.813 70 1HB SER 9 2HB SER 9 -7.438 11.477 -0.791 71 2HB SER 9 1HB SER 9 -8.759 11.622 -1.967 72 HG SER 9 HG SER 9 -7.973 9.620 -2.926 73 H ASP 10 H ASP 10 -5.838 13.071 -4.464 74 HA ASP 10 HA ASP 10 -5.005 15.158 -4.928 75 1HB ASP 10 2HB ASP 10 -7.980 15.784 -4.899 76 2HB ASP 10 1HB ASP 10 -6.824 16.065 -6.183 77 H LYS 11 H LYS 11 -7.401 15.812 -2.454 78 HA LYS 11 HA LYS 11 -6.280 18.458 -1.788 79 1HB LYS 11 2HB LYS 11 -8.716 17.753 -1.758 80 2HB LYS 11 1HB LYS 11 -8.359 16.759 -0.353 81 1HG LYS 11 2HG LYS 11 -7.552 18.841 0.874 82 2HG LYS 11 1HG LYS 11 -8.078 19.818 -0.473 83 1HD LYS 11 2HD LYS 11 -9.837 17.981 1.246 84 2HD LYS 11 1HD LYS 11 -9.783 19.728 1.382 85 1HE LYS 11 2HE LYS 11 -10.644 19.917 -0.968 86 2HE LYS 11 1HE LYS 11 -10.755 18.159 -1.050 87 1HZ LYS 11 2HZ LYS 11 -12.715 18.253 0.075 88 2HZ LYS 11 1HZ LYS 11 -11.941 18.997 1.377 89 3HZ LYS 11 3HZ LYS 11 -12.620 19.943 0.155 90 H GLY 12 H GLY 12 -4.174 17.028 -1.487 91 1HA GLY 12 2HA GLY 12 -2.361 16.875 0.157 92 2HA GLY 12 1HA GLY 12 -3.543 17.101 1.438 93 H LEU 13 H LEU 13 -5.171 15.313 1.347 94 HA LEU 13 HA LEU 13 -4.667 13.096 2.637 95 1HB LEU 13 2HB LEU 13 -6.268 13.210 0.075 96 2HB LEU 13 1HB LEU 13 -6.431 11.893 1.215 97 HG LEU 13 HG LEU 13 -6.935 14.844 1.903 98 1HD1 LEU 13 1HD1 LEU 13 -8.845 12.539 1.308 99 2HD1 LEU 13 3HD1 LEU 13 -9.311 14.150 1.829 100 3HD1 LEU 13 2HD1 LEU 13 -8.549 13.917 0.262 101 1HD2 LEU 13 3HD2 LEU 13 -7.579 12.237 3.377 102 2HD2 LEU 13 2HD2 LEU 13 -6.324 13.366 3.862 103 3HD2 LEU 13 1HD2 LEU 13 -8.000 13.854 3.913 104 H LEU 14 H LEU 14 -2.611 12.133 2.580 105 HA LEU 14 HA LEU 14 -1.513 10.898 0.173 106 1HB LEU 14 2HB LEU 14 -0.773 10.622 3.125 107 2HB LEU 14 1HB LEU 14 0.215 10.063 1.807 108 HG LEU 14 HG LEU 14 -0.602 13.002 2.013 109 1HD1 LEU 14 3HD1 LEU 14 1.936 11.606 2.989 110 2HD1 LEU 14 2HD1 LEU 14 1.650 13.336 3.006 111 3HD1 LEU 14 1HD1 LEU 14 0.705 12.276 4.039 112 1HD2 LEU 14 2HD2 LEU 14 1.669 11.523 0.606 113 2HD2 LEU 14 1HD2 LEU 14 0.236 12.155 -0.185 114 3HD2 LEU 14 3HD2 LEU 14 1.382 13.250 0.549 115 H VAL 15 H VAL 15 -3.766 9.819 0.017 116 HA VAL 15 HA VAL 15 -3.853 7.143 1.338 117 HB VAL 15 HB VAL 15 -5.965 8.704 -0.232 118 1HG1 VAL 15 1HG1 VAL 15 -6.335 6.236 1.529 119 2HG1 VAL 15 3HG1 VAL 15 -7.609 7.206 0.813 120 3HG1 VAL 15 2HG1 VAL 15 -6.555 6.299 -0.222 121 1HG2 VAL 15 3HG2 VAL 15 -5.601 8.340 2.777 122 2HG2 VAL 15 2HG2 VAL 15 -5.334 9.827 1.888 123 3HG2 VAL 15 1HG2 VAL 15 -6.950 9.163 2.002 124 H PHE 16 H PHE 16 -4.866 5.419 -0.003 125 HA PHE 16 HA PHE 16 -3.585 5.208 -2.721 126 1HB PHE 16 2HB PHE 16 -3.713 3.343 -0.369 127 2HB PHE 16 1HB PHE 16 -4.037 2.578 -1.905 128 HD1 PHE 16 HD2 PHE 16 -2.339 2.519 -3.659 129 HD2 PHE 16 HD1 PHE 16 -1.487 4.194 0.148 130 HE1 PHE 16 HE2 PHE 16 0.064 2.353 -4.135 131 HE2 PHE 16 HE1 PHE 16 0.927 4.030 -0.318 132 HZ PHE 16 HZ PHE 16 1.705 3.105 -2.459 133 H GLU 17 H GLU 17 -5.122 5.526 -4.124 134 HA GLU 17 HA GLU 17 -7.913 4.511 -3.724 135 1HB GLU 17 2HB GLU 17 -7.617 6.845 -3.575 136 2HB GLU 17 1HB GLU 17 -6.689 6.896 -5.037 137 1HG GLU 17 2HG GLU 17 -8.782 6.348 -6.372 138 2HG GLU 17 1HG GLU 17 -9.700 6.373 -4.883 139 HA PRO 18 HA PRO 18 -9.377 3.142 -4.296 140 1HB PRO 18 2HB PRO 18 -10.417 0.934 -5.442 141 2HB PRO 18 1HB PRO 18 -10.801 2.547 -6.073 142 1HG PRO 18 2HG PRO 18 -8.538 0.654 -6.981 143 2HG PRO 18 1HG PRO 18 -9.820 1.306 -8.003 144 1HD PRO 18 2HD PRO 18 -7.431 2.575 -7.902 145 2HD PRO 18 1HD PRO 18 -8.907 3.564 -7.866 146 H ALA 19 H ALA 19 -7.717 2.737 -2.809 147 HA ALA 19 HA ALA 19 -5.830 1.463 -1.960 148 1HB ALA 19 3HB ALA 19 -8.550 0.763 -0.812 149 2HB ALA 19 2HB ALA 19 -7.033 0.577 0.057 150 3HB ALA 19 1HB ALA 19 -7.571 2.170 -0.435 151 H LYS 20 H LYS 20 -8.310 -0.847 -2.759 152 HA LYS 20 HA LYS 20 -6.199 -3.012 -2.696 153 1HB LYS 20 2HB LYS 20 -9.163 -3.321 -2.332 154 2HB LYS 20 1HB LYS 20 -7.977 -4.615 -2.337 155 1HG LYS 20 2HG LYS 20 -6.766 -3.163 -0.451 156 2HG LYS 20 1HG LYS 20 -8.285 -2.324 -0.349 157 1HD LYS 20 2HD LYS 20 -8.324 -4.055 1.355 158 2HD LYS 20 1HD LYS 20 -9.461 -4.529 0.121 159 1HE LYS 20 2HE LYS 20 -6.597 -5.530 0.015 160 2HE LYS 20 1HE LYS 20 -7.731 -6.311 1.088 161 1HZ LYS 20 3HZ LYS 20 -8.985 -6.041 -1.484 162 2HZ LYS 20 2HZ LYS 20 -7.446 -6.780 -1.633 163 3HZ LYS 20 1HZ LYS 20 -8.469 -7.435 -0.608 164 H LEU 21 H LEU 21 -5.481 -3.594 -4.512 165 HA LEU 21 HA LEU 21 -7.200 -3.894 -6.917 166 1HB LEU 21 2HB LEU 21 -5.198 -2.303 -6.865 167 2HB LEU 21 1HB LEU 21 -4.209 -3.704 -6.659 168 HG LEU 21 HG LEU 21 -4.659 -2.715 -9.177 169 1HD1 LEU 21 1HD1 LEU 21 -3.207 -4.637 -8.575 170 2HD1 LEU 21 3HD1 LEU 21 -4.591 -5.705 -8.526 171 3HD1 LEU 21 2HD1 LEU 21 -4.138 -4.960 -10.026 172 1HD2 LEU 21 1HD2 LEU 21 -7.171 -3.231 -9.157 173 2HD2 LEU 21 3HD2 LEU 21 -6.297 -4.127 -10.385 174 3HD2 LEU 21 2HD2 LEU 21 -6.788 -4.929 -8.932 175 H THR 22 H THR 22 -7.806 -5.955 -7.295 176 HA THR 22 HA THR 22 -6.028 -8.189 -6.402 177 HB THR 22 HB THR 22 -8.913 -8.171 -7.415 178 HG1 THR 22 HG1 THR 22 -7.583 -8.329 -4.858 179 1HG2 THR 22 1HG2 THR 22 -7.317 -10.533 -6.235 180 2HG2 THR 22 3HG2 THR 22 -9.002 -10.497 -6.665 181 3HG2 THR 22 2HG2 THR 22 -7.776 -10.393 -7.911 182 H ILE 23 H ILE 23 -4.368 -7.984 -7.925 183 HA ILE 23 HA ILE 23 -4.888 -8.159 -10.780 184 HB ILE 23 HB ILE 23 -2.367 -8.817 -11.027 185 1HG1 ILE 23 2HG1 ILE 23 -2.007 -8.406 -8.118 186 2HG1 ILE 23 1HG1 ILE 23 -2.394 -9.960 -8.781 187 1HG2 ILE 23 3HG2 ILE 23 -3.006 -6.434 -11.080 188 2HG2 ILE 23 2HG2 ILE 23 -2.608 -6.405 -9.353 189 3HG2 ILE 23 1HG2 ILE 23 -1.383 -6.784 -10.544 190 1HD1 ILE 23 3HD1 ILE 23 0.006 -8.351 -9.768 191 2HD1 ILE 23 2HD1 ILE 23 0.096 -9.734 -8.706 192 3HD1 ILE 23 1HD1 ILE 23 -0.492 -9.931 -10.329 193 H LYS 24 H LYS 24 -3.528 -10.015 -11.892 194 HA LYS 24 HA LYS 24 -4.563 -12.481 -10.646 195 1HB LYS 24 2HB LYS 24 -3.886 -11.834 -13.565 196 2HB LYS 24 1HB LYS 24 -4.437 -13.415 -13.062 197 1HG LYS 24 2HG LYS 24 -6.616 -12.664 -13.355 198 2HG LYS 24 1HG LYS 24 -6.376 -11.742 -11.899 199 1HD LYS 24 2HD LYS 24 -7.140 -10.159 -13.547 200 2HD LYS 24 1HD LYS 24 -5.439 -9.821 -13.293 201 1HE LYS 24 2HE LYS 24 -4.810 -11.001 -15.310 202 2HE LYS 24 1HE LYS 24 -6.451 -11.598 -15.543 203 1HZ LYS 24 2HZ LYS 24 -6.457 -8.752 -15.173 204 2HZ LYS 24 1HZ LYS 24 -5.326 -9.163 -16.297 205 3HZ LYS 24 3HZ LYS 24 -6.953 -9.606 -16.567 206 HA PRO 25 HA PRO 25 -0.175 -13.955 -10.344 207 1HB PRO 25 2HB PRO 25 -0.381 -16.438 -11.596 208 2HB PRO 25 1HB PRO 25 -0.775 -16.130 -9.906 209 1HG PRO 25 2HG PRO 25 -2.673 -16.047 -12.324 210 2HG PRO 25 1HG PRO 25 -2.893 -16.972 -10.830 211 1HD PRO 25 2HD PRO 25 -4.142 -14.631 -10.969 212 2HD PRO 25 1HD PRO 25 -3.161 -14.902 -9.509 213 H GLY 26 H GLY 26 0.190 -12.079 -11.872 214 1HA GLY 26 2HA GLY 26 2.114 -11.948 -13.590 215 2HA GLY 26 1HA GLY 26 1.237 -13.112 -14.535 216 H ASP 27 H ASP 27 0.323 -10.112 -13.012 217 HA ASP 27 HA ASP 27 -0.382 -8.944 -15.667 218 1HB ASP 27 2HB ASP 27 -2.385 -9.970 -14.268 219 2HB ASP 27 1HB ASP 27 -2.137 -8.630 -13.153 220 H THR 28 H THR 28 -0.845 -6.486 -15.226 221 HA THR 28 HA THR 28 1.391 -5.331 -13.682 222 HB THR 28 HB THR 28 0.200 -4.169 -16.168 223 HG1 THR 28 HG1 THR 28 1.339 -5.530 -17.048 224 1HG2 THR 28 2HG2 THR 28 1.753 -2.671 -14.678 225 2HG2 THR 28 1HG2 THR 28 2.947 -3.923 -14.917 226 3HG2 THR 28 3HG2 THR 28 2.331 -3.051 -16.297 227 H VAL 29 H VAL 29 1.225 -3.448 -12.614 228 HA VAL 29 HA VAL 29 -1.474 -2.460 -11.904 229 HB VAL 29 HB VAL 29 0.899 -2.604 -10.147 230 1HG1 VAL 29 2HG1 VAL 29 -1.986 -1.662 -9.664 231 2HG1 VAL 29 1HG1 VAL 29 -0.774 -1.867 -8.418 232 3HG1 VAL 29 3HG1 VAL 29 -0.577 -0.625 -9.625 233 1HG2 VAL 29 3HG2 VAL 29 -1.792 -4.054 -10.215 234 2HG2 VAL 29 2HG2 VAL 29 -0.253 -4.795 -10.607 235 3HG2 VAL 29 1HG2 VAL 29 -0.569 -4.250 -8.970 236 H GLU 30 H GLU 30 -1.683 0.040 -11.947 237 HA GLU 30 HA GLU 30 0.756 1.441 -12.773 238 1HB GLU 30 2HB GLU 30 -0.738 1.773 -14.499 239 2HB GLU 30 1HB GLU 30 -2.130 1.713 -13.467 240 1HG GLU 30 2HG GLU 30 -1.808 4.000 -12.722 241 2HG GLU 30 1HG GLU 30 -0.119 4.021 -13.086 242 H PHE 31 H PHE 31 1.604 2.784 -11.382 243 HA PHE 31 HA PHE 31 0.006 3.704 -9.000 244 1HB PHE 31 2HB PHE 31 3.012 3.403 -9.237 245 2HB PHE 31 1HB PHE 31 2.139 3.777 -7.775 246 HD1 PHE 31 HD1 PHE 31 3.041 1.161 -10.164 247 HD2 PHE 31 HD2 PHE 31 0.840 2.017 -6.629 248 HE1 PHE 31 HE1 PHE 31 2.846 -1.246 -9.701 249 HE2 PHE 31 HE2 PHE 31 0.649 -0.392 -6.162 250 HZ PHE 31 HZ PHE 31 1.652 -2.020 -7.694 251 H LEU 32 H LEU 32 -0.773 5.726 -9.749 252 HA LEU 32 HA LEU 32 1.128 7.670 -10.855 253 1HB LEU 32 2HB LEU 32 -0.996 7.021 -12.025 254 2HB LEU 32 1HB LEU 32 -1.905 7.697 -10.706 255 HG LEU 32 HG LEU 32 0.062 9.383 -12.344 256 1HD1 LEU 32 3HD1 LEU 32 -2.938 8.957 -12.731 257 2HD1 LEU 32 2HD1 LEU 32 -1.936 10.093 -13.623 258 3HD1 LEU 32 1HD1 LEU 32 -1.687 8.366 -13.804 259 1HD2 LEU 32 3HD2 LEU 32 -2.393 10.107 -10.661 260 2HD2 LEU 32 2HD2 LEU 32 -0.725 10.390 -10.176 261 3HD2 LEU 32 1HD2 LEU 32 -1.377 11.226 -11.555 262 H ASN 33 H ASN 33 1.929 9.280 -9.673 263 HA ASN 33 HA ASN 33 0.990 9.696 -6.901 264 1HB ASN 33 2HB ASN 33 3.003 11.208 -6.710 265 2HB ASN 33 1HB ASN 33 3.392 9.612 -7.322 266 1HD2 ASN 33 2HD2 ASN 33 3.975 12.705 -9.690 267 2HD2 ASN 33 1HD2 ASN 33 3.033 12.967 -8.265 268 H ASN 34 H ASN 34 -0.962 10.365 -7.949 269 HA ASN 34 HA ASN 34 -2.283 12.274 -8.897 270 1HB ASN 34 2HB ASN 34 -3.069 10.870 -7.063 271 2HB ASN 34 1HB ASN 34 -2.285 11.856 -5.874 272 1HD2 ASN 34 2HD2 ASN 34 -5.175 14.099 -7.307 273 2HD2 ASN 34 1HD2 ASN 34 -3.747 13.976 -8.222 274 H LYS 35 H LYS 35 -1.770 13.798 -5.863 275 HA LYS 35 HA LYS 35 -0.645 16.190 -7.198 276 1HB LYS 35 2HB LYS 35 -3.106 16.520 -7.009 277 2HB LYS 35 1HB LYS 35 -3.092 15.917 -5.375 278 1HG LYS 35 2HG LYS 35 -3.438 18.322 -5.374 279 2HG LYS 35 1HG LYS 35 -1.968 17.907 -4.534 280 1HD LYS 35 2HD LYS 35 -0.731 18.365 -6.819 281 2HD LYS 35 1HD LYS 35 -2.247 19.057 -7.368 282 1HE LYS 35 2HE LYS 35 -2.182 20.669 -5.474 283 2HE LYS 35 1HE LYS 35 -0.692 19.920 -4.894 284 1HZ LYS 35 3HZ LYS 35 -0.396 20.450 -7.655 285 2HZ LYS 35 2HZ LYS 35 -0.944 21.888 -6.941 286 3HZ LYS 35 1HZ LYS 35 0.476 21.144 -6.384 287 H VAL 36 H VAL 36 -0.237 14.228 -4.989 288 HA VAL 36 HA VAL 36 1.550 15.884 -3.231 289 HB VAL 36 HB VAL 36 0.938 14.258 -1.379 290 1HG1 VAL 36 1HG1 VAL 36 -0.018 16.551 -1.613 291 2HG1 VAL 36 3HG1 VAL 36 -1.279 15.931 -2.666 292 3HG1 VAL 36 2HG1 VAL 36 -1.204 15.431 -0.992 293 1HG2 VAL 36 1HG2 VAL 36 -0.098 12.441 -2.821 294 2HG2 VAL 36 3HG2 VAL 36 -1.220 13.067 -1.623 295 3HG2 VAL 36 2HG2 VAL 36 -1.366 13.564 -3.293 296 HA PRO 37 HA PRO 37 4.460 12.678 -4.612 297 1HB PRO 37 2HB PRO 37 6.338 14.234 -5.761 298 2HB PRO 37 1HB PRO 37 4.811 13.955 -6.605 299 1HG PRO 37 2HG PRO 37 5.468 16.282 -4.676 300 2HG PRO 37 1HG PRO 37 4.977 16.453 -6.359 301 1HD PRO 37 2HD PRO 37 3.157 16.575 -4.346 302 2HD PRO 37 1HD PRO 37 2.710 15.753 -5.860 303 HA PRO 38 HA PRO 38 6.379 11.896 -4.889 304 1HB PRO 38 2HB PRO 38 8.924 11.295 -4.746 305 2HB PRO 38 1HB PRO 38 8.448 12.950 -5.148 306 1HG PRO 38 2HG PRO 38 9.414 11.883 -2.440 307 2HG PRO 38 1HG PRO 38 9.821 13.417 -3.207 308 1HD PRO 38 2HD PRO 38 7.673 12.952 -1.291 309 2HD PRO 38 1HD PRO 38 7.966 14.460 -2.177 310 H HIS 39 HN HIP 39 5.487 9.969 -4.641 311 HA HIS 39 HA HIP 39 5.580 8.557 -2.062 312 1HB HIS 39 2HB HIP 39 4.296 7.646 -4.670 313 2HB HIS 39 1HB HIP 39 3.977 6.969 -3.085 314 HD2 HIS 39 HD2 HIP 39 2.460 9.329 -5.387 315 HE1 HIS 39 HE1 HIP 39 1.452 10.906 -1.682 316 HE2 HIS 39 HE2 HIP 39 1.009 10.958 -4.046 317 H ASN 40 H ASN 40 7.823 8.153 -1.992 318 HA ASN 40 HA ASN 40 9.061 6.107 -3.725 319 1HB ASN 40 2HB ASN 40 10.559 7.829 -2.718 320 2HB ASN 40 1HB ASN 40 9.882 7.567 -1.129 321 1HD2 ASN 40 2HD2 ASN 40 12.583 4.866 -2.329 322 2HD2 ASN 40 1HD2 ASN 40 11.735 5.619 -3.600 323 H VAL 41 H VAL 41 7.466 4.475 -3.526 324 HA VAL 41 HA VAL 41 7.125 3.394 -0.767 325 HB VAL 41 HB VAL 41 5.331 2.211 -1.358 326 1HG1 VAL 41 2HG1 VAL 41 4.882 4.792 -1.590 327 2HG1 VAL 41 1HG1 VAL 41 5.211 4.648 -3.284 328 3HG1 VAL 41 3HG1 VAL 41 3.785 3.895 -2.616 329 1HG2 VAL 41 2HG2 VAL 41 5.938 2.597 -4.335 330 2HG2 VAL 41 1HG2 VAL 41 5.945 1.078 -3.443 331 3HG2 VAL 41 3HG2 VAL 41 4.442 1.904 -3.745 332 H VAL 42 H VAL 42 7.437 1.575 -0.104 333 HA VAL 42 HA VAL 42 9.088 -0.273 -1.715 334 HB VAL 42 HB VAL 42 10.059 -0.932 0.601 335 1HG1 VAL 42 3HG1 VAL 42 11.119 0.965 -0.831 336 2HG1 VAL 42 2HG1 VAL 42 10.041 2.087 -0.051 337 3HG1 VAL 42 1HG1 VAL 42 11.262 1.279 0.887 338 1HG2 VAL 42 2HG2 VAL 42 8.034 -0.199 1.933 339 2HG2 VAL 42 1HG2 VAL 42 9.521 0.545 2.489 340 3HG2 VAL 42 3HG2 VAL 42 8.423 1.466 1.508 341 H PHE 43 H PHE 43 8.724 -2.778 -0.743 342 HA PHE 43 HA PHE 43 5.778 -3.052 -0.688 343 1HB PHE 43 2HB PHE 43 7.949 -4.650 -1.873 344 2HB PHE 43 1HB PHE 43 6.679 -5.586 -1.104 345 HD1 PHE 43 HD1 PHE 43 7.343 -3.021 -3.713 346 HD2 PHE 43 HD2 PHE 43 4.450 -5.579 -1.962 347 HE1 PHE 43 HE1 PHE 43 5.853 -2.570 -5.582 348 HE2 PHE 43 HE2 PHE 43 2.930 -5.139 -3.845 349 HZ PHE 43 HZ PHE 43 3.636 -3.626 -5.661 350 H ASP 44 H ASP 44 4.771 -3.745 0.922 351 HA ASP 44 HA ASP 44 5.731 -3.945 3.539 352 1HB ASP 44 2HB ASP 44 3.471 -3.582 3.594 353 2HB ASP 44 1HB ASP 44 3.246 -4.281 2.005 354 H ALA 45 H ALA 45 5.448 -5.674 4.954 355 HA ALA 45 HA ALA 45 6.572 -8.278 4.156 356 1HB ALA 45 3HB ALA 45 8.091 -6.908 5.404 357 2HB ALA 45 2HB ALA 45 6.929 -6.711 6.710 358 3HB ALA 45 1HB ALA 45 7.639 -8.292 6.385 359 H ALA 46 H ALA 46 4.448 -6.707 6.424 360 HA ALA 46 HA ALA 46 3.327 -8.830 7.889 361 1HB ALA 46 1HB ALA 46 2.098 -6.171 6.993 362 2HB ALA 46 3HB ALA 46 1.485 -7.127 8.332 363 3HB ALA 46 2HB ALA 46 3.076 -6.388 8.434 364 H LEU 47 H LEU 47 2.166 -7.451 4.876 365 HA LEU 47 HA LEU 47 0.275 -9.747 4.609 366 1HB LEU 47 2HB LEU 47 0.316 -6.873 3.847 367 2HB LEU 47 1HB LEU 47 -0.410 -7.902 2.670 368 HG LEU 47 HG LEU 47 -2.104 -6.927 4.282 369 1HD1 LEU 47 3HD1 LEU 47 -2.542 -9.330 3.444 370 2HD1 LEU 47 2HD1 LEU 47 -1.712 -9.912 4.862 371 3HD1 LEU 47 1HD1 LEU 47 -3.194 -9.014 5.039 372 1HD2 LEU 47 2HD2 LEU 47 -0.554 -6.670 6.173 373 2HD2 LEU 47 1HD2 LEU 47 -2.013 -7.516 6.660 374 3HD2 LEU 47 3HD2 LEU 47 -0.526 -8.402 6.410 375 H ASN 48 H ASN 48 3.084 -9.807 3.995 376 HA ASN 48 HA ASN 48 3.124 -10.407 1.074 377 1HB ASN 48 2HB ASN 48 5.057 -9.120 1.838 378 2HB ASN 48 1HB ASN 48 5.222 -10.082 3.280 379 1HD2 ASN 48 2HD2 ASN 48 7.839 -11.746 1.743 380 2HD2 ASN 48 1HD2 ASN 48 7.353 -10.737 3.003 381 HA PRO 49 HA PRO 49 1.269 -14.201 1.876 382 1HB PRO 49 2HB PRO 49 2.758 -15.962 0.166 383 2HB PRO 49 1HB PRO 49 1.357 -15.009 -0.293 384 1HG PRO 49 2HG PRO 49 4.304 -14.222 -0.554 385 2HG PRO 49 1HG PRO 49 3.000 -14.057 -1.730 386 1HD PRO 49 2HD PRO 49 3.702 -11.913 -0.331 387 2HD PRO 49 1HD PRO 49 1.957 -12.249 -0.454 388 H ALA 50 H ALA 50 4.629 -15.072 1.609 389 HA ALA 50 HA ALA 50 4.471 -16.655 4.158 390 1HB ALA 50 3HB ALA 50 5.112 -17.880 2.081 391 2HB ALA 50 2HB ALA 50 6.448 -16.762 1.826 392 3HB ALA 50 1HB ALA 50 6.461 -17.839 3.208 393 H LYS 51 H LYS 51 4.588 -13.983 4.331 394 HA LYS 51 HA LYS 51 5.918 -12.069 4.918 395 1HB LYS 51 2HB LYS 51 5.782 -14.084 7.193 396 2HB LYS 51 1HB LYS 51 6.214 -12.409 7.435 397 1HG LYS 51 2HG LYS 51 3.918 -12.280 7.802 398 2HG LYS 51 1HG LYS 51 3.995 -11.874 6.100 399 1HD LYS 51 2HD LYS 51 3.676 -14.576 5.756 400 2HD LYS 51 1HD LYS 51 3.064 -14.500 7.366 401 1HE LYS 51 2HE LYS 51 2.042 -12.811 5.047 402 2HE LYS 51 1HE LYS 51 1.290 -14.296 5.621 403 1HZ LYS 51 2HZ LYS 51 1.869 -12.705 7.857 404 2HZ LYS 51 1HZ LYS 51 1.187 -11.665 6.760 405 3HZ LYS 51 3HZ LYS 51 0.308 -13.030 7.265 406 H SER 52 H SER 52 7.608 -12.782 3.405 407 HA SER 52 HA SER 52 10.237 -13.325 4.682 408 1HB SER 52 2HB SER 52 10.910 -13.978 2.415 409 2HB SER 52 1HB SER 52 9.317 -14.646 2.705 410 HG SER 52 HG SER 52 10.010 -13.021 0.839 411 H ALA 53 H ALA 53 12.046 -12.103 3.297 412 HA ALA 53 HA ALA 53 11.414 -9.143 3.444 413 1HB ALA 53 1HB ALA 53 14.030 -10.674 3.976 414 2HB ALA 53 3HB ALA 53 13.849 -8.933 4.141 415 3HB ALA 53 2HB ALA 53 12.969 -10.015 5.210 416 H ASP 54 H ASP 54 13.427 -11.483 1.976 417 HA ASP 54 HA ASP 54 14.753 -10.494 -0.131 418 1HB ASP 54 2HB ASP 54 13.866 -12.903 -1.116 419 2HB ASP 54 1HB ASP 54 14.854 -12.873 0.335 420 H LEU 55 H LEU 55 11.392 -11.521 -0.535 421 HA LEU 55 HA LEU 55 11.088 -10.175 -3.080 422 1HB LEU 55 2HB LEU 55 9.589 -12.056 -2.443 423 2HB LEU 55 1HB LEU 55 8.970 -11.155 -1.084 424 HG LEU 55 HG LEU 55 8.072 -9.392 -2.672 425 1HD1 LEU 55 3HD1 LEU 55 8.973 -11.381 -4.821 426 2HD1 LEU 55 2HD1 LEU 55 8.019 -9.944 -5.108 427 3HD1 LEU 55 1HD1 LEU 55 9.678 -9.793 -4.586 428 1HD2 LEU 55 2HD2 LEU 55 7.219 -12.228 -3.302 429 2HD2 LEU 55 1HD2 LEU 55 6.651 -11.255 -1.950 430 3HD2 LEU 55 3HD2 LEU 55 6.284 -10.774 -3.604 431 H ALA 56 H ALA 56 9.540 -9.351 0.025 432 HA ALA 56 HA ALA 56 8.440 -6.894 -0.332 433 1HB ALA 56 1HB ALA 56 10.365 -7.639 1.922 434 2HB ALA 56 3HB ALA 56 9.164 -6.355 2.003 435 3HB ALA 56 2HB ALA 56 8.653 -8.018 1.850 436 H LYS 57 H LYS 57 11.897 -7.271 -0.055 437 HA LYS 57 HA LYS 57 12.350 -4.427 -0.747 438 1HB LYS 57 2HB LYS 57 13.707 -5.855 1.018 439 2HB LYS 57 1HB LYS 57 14.376 -6.706 -0.339 440 1HG LYS 57 2HG LYS 57 15.987 -4.939 0.366 441 2HG LYS 57 1HG LYS 57 15.423 -4.709 -1.259 442 1HD LYS 57 2HD LYS 57 15.404 -2.519 0.045 443 2HD LYS 57 1HD LYS 57 13.861 -2.933 -0.640 444 1HE LYS 57 2HE LYS 57 13.575 -2.104 1.646 445 2HE LYS 57 1HE LYS 57 13.079 -3.788 1.561 446 1HZ LYS 57 2HZ LYS 57 15.870 -3.706 1.985 447 2HZ LYS 57 1HZ LYS 57 15.178 -2.688 3.146 448 3HZ LYS 57 3HZ LYS 57 14.705 -4.316 3.042 449 H SER 58 H SER 58 12.791 -7.476 -2.471 450 HA SER 58 HA SER 58 14.146 -6.223 -4.743 451 1HB SER 58 2HB SER 58 12.450 -8.772 -4.626 452 2HB SER 58 1HB SER 58 13.517 -8.300 -5.970 453 HG SER 58 HG SER 58 14.160 -8.950 -3.308 454 H LEU 59 H LEU 59 10.951 -6.760 -3.746 455 HA LEU 59 HA LEU 59 9.500 -5.806 -6.071 456 1HB LEU 59 2HB LEU 59 8.895 -7.627 -4.283 457 2HB LEU 59 1HB LEU 59 8.450 -6.304 -3.243 458 HG LEU 59 HG LEU 59 6.775 -5.551 -5.000 459 1HD1 LEU 59 3HD1 LEU 59 7.593 -8.162 -6.349 460 2HD1 LEU 59 2HD1 LEU 59 6.255 -7.137 -6.819 461 3HD1 LEU 59 1HD1 LEU 59 7.885 -6.560 -6.995 462 1HD2 LEU 59 2HD2 LEU 59 6.137 -7.137 -3.135 463 2HD2 LEU 59 1HD2 LEU 59 5.222 -7.438 -4.599 464 3HD2 LEU 59 3HD2 LEU 59 6.560 -8.487 -4.168 465 H SER 60 H SER 60 10.234 -4.412 -2.773 466 HA SER 60 HA SER 60 8.854 -1.967 -3.007 467 1HB SER 60 2HB SER 60 10.863 -1.002 -1.576 468 2HB SER 60 1HB SER 60 10.468 -2.617 -0.962 469 HG SER 60 HG SER 60 11.911 -3.228 -2.876 470 H HIS 61 H HIS 61 9.305 0.235 -3.935 471 HA HIS 61 HA HIS 61 10.655 -0.142 -6.497 472 1HB HIS 61 2HB HIS 61 9.659 2.391 -5.088 473 2HB HIS 61 1HB HIS 61 10.210 2.357 -6.756 474 HD1 HIS 61 HD1 HIS 61 7.587 1.073 -4.637 475 HD2 HIS 61 HD2 HIS 61 8.388 1.243 -8.600 476 HE1 HIS 61 HE1 HIS 61 5.474 0.317 -5.834 477 H LYS 62 H LYS 62 12.201 1.880 -7.082 478 HA LYS 62 HA LYS 62 14.497 1.975 -5.149 479 1HB LYS 62 2HB LYS 62 14.836 1.804 -8.182 480 2HB LYS 62 1HB LYS 62 16.072 1.578 -6.972 481 1HG LYS 62 2HG LYS 62 13.736 -0.312 -7.572 482 2HG LYS 62 1HG LYS 62 15.413 -0.612 -7.967 483 1HD LYS 62 2HD LYS 62 16.023 -1.160 -5.781 484 2HD LYS 62 1HD LYS 62 14.904 -0.039 -5.052 485 1HE LYS 62 2HE LYS 62 13.112 -1.772 -6.140 486 2HE LYS 62 1HE LYS 62 14.457 -2.872 -5.926 487 1HZ LYS 62 3HZ LYS 62 14.362 -1.262 -3.612 488 2HZ LYS 62 2HZ LYS 62 12.811 -1.673 -3.949 489 3HZ LYS 62 1HZ LYS 62 13.861 -2.909 -3.711 490 H GLN 63 H GLN 63 12.520 3.627 -7.237 491 HA GLN 63 HA GLN 63 14.192 6.082 -7.089 492 1HB GLN 63 2HB GLN 63 11.913 6.254 -8.989 493 2HB GLN 63 1HB GLN 63 13.604 6.558 -9.268 494 1HG GLN 63 2HG GLN 63 13.070 4.760 -10.794 495 2HG GLN 63 1HG GLN 63 13.878 3.951 -9.476 496 1HE2 GLN 63 2HE2 GLN 63 10.081 2.987 -10.298 497 2HE2 GLN 63 1HE2 GLN 63 10.878 4.162 -11.221 498 H LEU 64 H LEU 64 12.475 8.036 -7.544 499 HA LEU 64 HA LEU 64 10.335 7.931 -5.460 500 1HB LEU 64 2HB LEU 64 12.370 10.175 -5.888 501 2HB LEU 64 1HB LEU 64 11.060 10.229 -4.732 502 HG LEU 64 HG LEU 64 12.240 7.859 -3.990 503 1HD1 LEU 64 3HD1 LEU 64 14.504 9.630 -4.959 504 2HD1 LEU 64 2HD1 LEU 64 14.665 8.159 -4.022 505 3HD1 LEU 64 1HD1 LEU 64 14.065 8.085 -5.658 506 1HD2 LEU 64 2HD2 LEU 64 11.749 9.854 -2.515 507 2HD2 LEU 64 1HD2 LEU 64 13.344 9.195 -2.213 508 3HD2 LEU 64 3HD2 LEU 64 13.167 10.655 -3.166 509 H LEU 65 H LEU 65 8.438 8.946 -6.012 510 HA LEU 65 HA LEU 65 8.134 9.800 -8.825 511 1HB LEU 65 2HB LEU 65 6.206 9.373 -6.503 512 2HB LEU 65 1HB LEU 65 5.702 10.042 -8.034 513 HG LEU 65 HG LEU 65 6.567 8.015 -9.217 514 1HD1 LEU 65 3HD1 LEU 65 6.923 6.903 -6.394 515 2HD1 LEU 65 2HD1 LEU 65 7.040 5.984 -7.873 516 3HD1 LEU 65 1HD1 LEU 65 8.229 7.202 -7.537 517 1HD2 LEU 65 3HD2 LEU 65 4.558 7.500 -7.000 518 2HD2 LEU 65 2HD2 LEU 65 4.215 8.162 -8.601 519 3HD2 LEU 65 1HD2 LEU 65 4.762 6.514 -8.433 520 H MET 66 H MET 66 9.579 11.521 -8.544 521 HA MET 66 HA MET 66 8.898 13.995 -7.113 522 1HB MET 66 2HB MET 66 11.208 13.088 -7.516 523 2HB MET 66 1HB MET 66 10.997 13.351 -9.228 524 1HG MET 66 2HG MET 66 10.787 15.792 -8.850 525 2HG MET 66 1HG MET 66 10.975 15.561 -7.136 526 1HE MET 66 3HE MET 66 13.182 13.961 -6.357 527 2HE MET 66 2HE MET 66 14.630 14.911 -6.602 528 3HE MET 66 1HE MET 66 13.206 15.694 -5.936 529 H SER 67 H SER 67 7.522 12.798 -9.774 530 HA SER 67 HA SER 67 7.078 15.374 -11.203 531 1HB SER 67 2HB SER 67 6.199 13.673 -12.983 532 2HB SER 67 1HB SER 67 7.946 13.779 -12.683 533 HG SER 67 HG SER 67 7.163 11.611 -12.511 534 HA PRO 68 HA PRO 68 3.151 14.892 -8.587 535 1HB PRO 68 2HB PRO 68 2.571 17.615 -9.194 536 2HB PRO 68 1HB PRO 68 3.265 16.996 -7.697 537 1HG PRO 68 2HG PRO 68 4.692 18.025 -10.196 538 2HG PRO 68 1HG PRO 68 5.087 18.383 -8.512 539 1HD PRO 68 2HD PRO 68 6.552 16.632 -9.766 540 2HD PRO 68 1HD PRO 68 5.976 16.095 -8.177 541 H GLY 69 H GLY 69 2.309 13.430 -10.106 542 1HA GLY 69 2HA GLY 69 -0.102 13.458 -11.127 543 2HA GLY 69 1HA GLY 69 0.583 14.563 -12.295 544 H GLN 70 H GLN 70 3.041 12.564 -11.920 545 HA GLN 70 HA GLN 70 2.251 10.936 -14.261 546 1HB GLN 70 2HB GLN 70 4.333 12.264 -14.261 547 2HB GLN 70 1HB GLN 70 4.884 11.426 -12.832 548 1HG GLN 70 2HG GLN 70 5.123 9.276 -14.085 549 2HG GLN 70 1HG GLN 70 4.450 10.000 -15.544 550 1HE2 GLN 70 2HE2 GLN 70 7.700 10.896 -16.437 551 2HE2 GLN 70 1HE2 GLN 70 6.180 10.339 -16.976 552 H SER 71 H SER 71 3.037 8.784 -14.488 553 HA SER 71 HA SER 71 2.481 7.042 -12.110 554 1HB SER 71 2HB SER 71 0.708 6.764 -13.603 555 2HB SER 71 1HB SER 71 1.781 6.598 -14.988 556 HG SER 71 HG SER 71 1.091 4.639 -14.184 557 H THR 72 H THR 72 3.581 5.383 -11.609 558 HA THR 72 HA THR 72 6.126 4.654 -13.106 559 HB THR 72 HB THR 72 6.599 5.560 -10.847 560 HG1 THR 72 HG1 THR 72 6.847 2.725 -11.000 561 1HG2 THR 72 3HG2 THR 72 5.184 3.055 -9.782 562 2HG2 THR 72 2HG2 THR 72 6.071 4.249 -8.874 563 3HG2 THR 72 1HG2 THR 72 4.549 4.691 -9.625 564 H SER 73 H SER 73 3.879 3.588 -14.110 565 HA SER 73 HA SER 73 2.715 1.254 -13.114 566 1HB SER 73 2HB SER 73 2.336 0.666 -15.617 567 2HB SER 73 1HB SER 73 2.189 2.411 -15.437 568 HG SER 73 HG SER 73 4.832 1.562 -15.660 569 H THR 74 H THR 74 3.211 -0.586 -12.522 570 HA THR 74 HA THR 74 5.794 -1.832 -13.442 571 HB THR 74 HB THR 74 4.913 -1.523 -10.514 572 HG1 THR 74 HG1 THR 74 5.990 0.263 -11.544 573 1HG2 THR 74 3HG2 THR 74 7.472 -2.664 -11.743 574 2HG2 THR 74 2HG2 THR 74 7.080 -2.527 -10.046 575 3HG2 THR 74 1HG2 THR 74 6.261 -3.730 -11.026 576 H THR 75 H THR 75 5.933 -4.113 -13.352 577 HA THR 75 HA THR 75 3.245 -5.476 -13.195 578 HB THR 75 HB THR 75 4.362 -5.328 -15.502 579 HG1 THR 75 HG1 THR 75 2.813 -6.691 -15.366 580 1HG2 THR 75 3HG2 THR 75 6.625 -6.448 -14.700 581 2HG2 THR 75 2HG2 THR 75 5.622 -7.875 -14.415 582 3HG2 THR 75 1HG2 THR 75 5.749 -7.217 -16.024 583 H PHE 76 H PHE 76 3.177 -7.702 -12.835 584 HA PHE 76 HA PHE 76 5.048 -8.697 -10.691 585 1HB PHE 76 2HB PHE 76 2.054 -8.991 -11.088 586 2HB PHE 76 1HB PHE 76 2.944 -9.859 -9.838 587 HD1 PHE 76 HD1 PHE 76 4.039 -8.607 -8.006 588 HD2 PHE 76 HD2 PHE 76 1.820 -6.588 -11.005 589 HE1 PHE 76 HE1 PHE 76 4.063 -6.559 -6.630 590 HE2 PHE 76 HE2 PHE 76 1.846 -4.532 -9.644 591 HZ PHE 76 HZ PHE 76 2.962 -4.530 -7.456 592 HA PRO 77 HA PRO 77 5.515 -10.381 -14.890 593 1HB PRO 77 2HB PRO 77 7.754 -12.088 -14.107 594 2HB PRO 77 1HB PRO 77 7.788 -10.591 -15.033 595 1HG PRO 77 2HG PRO 77 8.174 -11.007 -12.051 596 2HG PRO 77 1HG PRO 77 8.838 -9.752 -13.077 597 1HD PRO 77 2HD PRO 77 6.861 -9.275 -11.346 598 2HD PRO 77 1HD PRO 77 6.846 -8.442 -12.912 599 H ALA 78 H ALA 78 6.348 -13.198 -13.052 600 HA ALA 78 HA ALA 78 3.944 -14.638 -14.147 601 1HB ALA 78 3HB ALA 78 6.854 -15.546 -14.519 602 2HB ALA 78 2HB ALA 78 5.441 -16.473 -15.021 603 3HB ALA 78 1HB ALA 78 5.803 -14.933 -15.793 604 H ASP 79 H ASP 79 6.561 -14.536 -12.160 605 HA ASP 79 HA ASP 79 6.429 -16.733 -10.421 606 1HB ASP 79 2HB ASP 79 7.854 -14.972 -9.012 607 2HB ASP 79 1HB ASP 79 8.423 -15.319 -10.633 608 H ALA 80 H ALA 80 5.375 -13.563 -9.563 609 HA ALA 80 HA ALA 80 4.240 -13.255 -7.300 610 1HB ALA 80 2HB ALA 80 3.759 -11.866 -9.238 611 2HB ALA 80 1HB ALA 80 2.632 -13.049 -9.861 612 3HB ALA 80 3HB ALA 80 2.243 -12.164 -8.386 613 HA PRO 81 HA PRO 81 2.151 -17.379 -7.045 614 1HB PRO 81 2HB PRO 81 3.402 -18.465 -4.947 615 2HB PRO 81 1HB PRO 81 4.309 -18.108 -6.432 616 1HG PRO 81 2HG PRO 81 3.995 -16.255 -3.985 617 2HG PRO 81 1HG PRO 81 5.520 -16.886 -4.627 618 1HD PRO 81 2HD PRO 81 4.564 -14.449 -5.430 619 2HD PRO 81 1HD PRO 81 5.361 -15.520 -6.613 620 H ALA 82 H ALA 82 0.527 -15.531 -6.503 621 HA ALA 82 HA ALA 82 -1.474 -14.942 -5.386 622 1HB ALA 82 1HB ALA 82 -1.795 -17.429 -5.336 623 2HB ALA 82 3HB ALA 82 -0.894 -17.526 -3.832 624 3HB ALA 82 2HB ALA 82 -2.436 -16.693 -3.873 625 H GLY 83 H GLY 83 -2.365 -14.411 -3.103 626 1HA GLY 83 2HA GLY 83 -1.807 -13.860 -0.773 627 2HA GLY 83 1HA GLY 83 -0.150 -13.540 -1.269 628 H GLU 84 H GLU 84 -2.092 -11.903 0.102 629 HA GLU 84 HA GLU 84 -2.506 -9.703 -1.835 630 1HB GLU 84 2HB GLU 84 -4.283 -10.655 -0.197 631 2HB GLU 84 1HB GLU 84 -3.490 -9.721 1.051 632 1HG GLU 84 2HG GLU 84 -3.698 -7.681 -0.701 633 2HG GLU 84 1HG GLU 84 -4.637 -8.766 -1.607 634 H TYR 85 H TYR 85 -0.308 -9.323 -1.954 635 HA TYR 85 HA TYR 85 1.410 -8.270 0.153 636 1HB TYR 85 2HB TYR 85 1.843 -7.477 -2.747 637 2HB TYR 85 1HB TYR 85 3.039 -7.786 -1.521 638 HD1 TYR 85 HD1 TYR 85 0.374 -9.661 -3.432 639 HD2 TYR 85 HD2 TYR 85 4.290 -9.740 -1.737 640 HE1 TYR 85 HE1 TYR 85 0.753 -11.884 -4.356 641 HE2 TYR 85 HE2 TYR 85 4.609 -11.999 -2.729 642 HH TYR 85 HH TYR 85 2.017 -13.712 -3.990 643 H THR 86 H THR 86 1.921 -6.122 0.805 644 HA THR 86 HA THR 86 0.096 -4.031 -0.365 645 HB THR 86 HB THR 86 0.884 -4.672 2.421 646 HG1 THR 86 HG1 THR 86 -0.916 -2.880 1.234 647 1HG2 THR 86 1HG2 THR 86 0.585 -1.725 1.617 648 2HG2 THR 86 3HG2 THR 86 0.739 -2.414 3.229 649 3HG2 THR 86 2HG2 THR 86 2.110 -2.412 2.147 650 H PHE 87 H PHE 87 0.595 -2.045 -0.878 651 HA PHE 87 HA PHE 87 3.398 -1.543 -1.591 652 1HB PHE 87 2HB PHE 87 1.200 0.530 -2.142 653 2HB PHE 87 1HB PHE 87 2.559 0.135 -3.166 654 HD1 PHE 87 HD2 PHE 87 2.375 -2.500 -4.024 655 HD2 PHE 87 HD1 PHE 87 -0.794 0.105 -3.047 656 HE1 PHE 87 HE2 PHE 87 0.860 -3.807 -5.459 657 HE2 PHE 87 HE1 PHE 87 -2.342 -1.186 -4.450 658 HZ PHE 87 HZ PHE 87 -1.534 -3.126 -5.644 659 H TYR 88 H TYR 88 4.512 -0.418 -0.118 660 HA TYR 88 HA TYR 88 3.070 1.101 1.928 661 1HB TYR 88 2HB TYR 88 3.983 -1.045 2.517 662 2HB TYR 88 1HB TYR 88 5.520 -0.670 1.780 663 HD1 TYR 88 HD1 TYR 88 6.728 1.353 2.630 664 HD2 TYR 88 HD2 TYR 88 3.727 -0.677 4.797 665 HE1 TYR 88 HE1 TYR 88 7.617 2.268 4.577 666 HE2 TYR 88 HE2 TYR 88 4.610 0.236 6.842 667 HH TYR 88 HH TYR 88 7.326 2.535 6.718 668 H CYS 89 H CYS 89 3.246 3.378 1.644 669 HA CYS 89 HA CYS 89 5.600 4.413 0.208 670 1HB CYS 89 2HB CYS 89 3.175 4.964 -0.252 671 2HB CYS 89 1HB CYS 89 3.181 5.835 1.255 672 H GLU 90 H GLU 90 7.093 3.928 2.138 673 HA GLU 90 HA GLU 90 7.503 5.023 4.482 674 1HB GLU 90 2HB GLU 90 9.309 4.762 2.138 675 2HB GLU 90 1HB GLU 90 9.887 5.935 3.294 676 1HG GLU 90 2HG GLU 90 9.356 2.981 3.879 677 2HG GLU 90 1HG GLU 90 10.857 3.855 3.968 678 HA PRO 91 HA PRO 91 8.674 9.667 3.577 679 1HB PRO 91 2HB PRO 91 7.486 10.648 1.228 680 2HB PRO 91 1HB PRO 91 9.166 10.122 1.351 681 1HG PRO 91 2HG PRO 91 6.738 8.422 0.533 682 2HG PRO 91 1HG PRO 91 8.254 8.662 -0.351 683 1HD PRO 91 2HD PRO 91 8.057 6.462 1.152 684 2HD PRO 91 1HD PRO 91 9.529 7.426 1.386 685 H HIS 92 HN HIP 92 5.781 8.134 2.965 686 HA HIS 92 HA HIP 92 4.138 10.165 4.424 687 1HB HIS 92 2HB HIP 92 3.388 8.236 2.177 688 2HB HIS 92 1HB HIP 92 2.284 9.403 2.893 689 HD2 HIS 92 HD2 HIP 92 4.588 11.944 2.878 690 HE1 HIS 92 HE1 HIP 92 4.306 11.393 -1.255 691 HE2 HIS 92 HE2 HIP 92 4.999 12.885 0.552 692 H ARG 93 H ARG 93 5.664 8.056 5.573 693 HA ARG 93 HA ARG 93 3.779 5.977 6.508 694 1HB ARG 93 2HB ARG 93 5.988 5.207 6.038 695 2HB ARG 93 1HB ARG 93 6.718 6.580 6.816 696 1HG ARG 93 2HG ARG 93 5.104 5.029 8.774 697 2HG ARG 93 1HG ARG 93 6.288 4.028 7.966 698 1HD ARG 93 2HD ARG 93 7.002 6.764 9.075 699 2HD ARG 93 1HD ARG 93 7.184 5.280 10.024 700 HE ARG 93 HE ARG 93 8.487 5.497 7.250 701 1HH1 ARG 93 2HH1 ARG 93 8.836 3.215 8.032 702 2HH1 ARG 93 1HH1 ARG 93 10.329 3.095 8.913 703 1HH2 ARG 93 1HH2 ARG 93 9.915 6.554 9.299 704 2HH2 ARG 93 2HH2 ARG 93 11.057 5.291 9.700 705 H GLY 94 H GLY 94 2.546 6.311 8.054 706 1HA GLY 94 2HA GLY 94 2.269 6.761 10.592 707 2HA GLY 94 1HA GLY 94 2.997 8.351 10.258 708 H ALA 95 H ALA 95 1.992 8.970 7.947 709 HA ALA 95 HA ALA 95 -0.884 9.567 8.470 710 1HB ALA 95 2HB ALA 95 0.768 11.402 7.843 711 2HB ALA 95 1HB ALA 95 1.094 10.561 6.330 712 3HB ALA 95 3HB ALA 95 -0.492 11.243 6.627 713 H GLY 96 H GLY 96 -0.801 7.231 8.234 714 1HA GLY 96 2HA GLY 96 -0.965 5.121 7.035 715 2HA GLY 96 1HA GLY 96 -2.507 5.888 6.841 716 H MET 97 H MET 97 0.426 6.575 4.921 717 HA MET 97 HA MET 97 -1.245 6.105 2.547 718 1HB MET 97 2HB MET 97 0.346 7.979 2.766 719 2HB MET 97 1HB MET 97 1.692 6.849 2.770 720 1HG MET 97 2HG MET 97 1.186 6.117 0.507 721 2HG MET 97 1HG MET 97 -0.419 6.759 0.600 722 1HE MET 97 2HE MET 97 -1.106 8.083 -0.837 723 2HE MET 97 1HE MET 97 -0.411 9.511 -1.526 724 3HE MET 97 3HE MET 97 0.079 7.923 -2.134 725 H VAL 98 H VAL 98 -1.573 3.965 3.218 726 HA VAL 98 HA VAL 98 0.396 1.958 2.137 727 HB VAL 98 HB VAL 98 -1.789 1.568 4.182 728 1HG1 VAL 98 3HG1 VAL 98 -1.219 -0.501 2.876 729 2HG1 VAL 98 2HG1 VAL 98 0.482 -0.227 3.236 730 3HG1 VAL 98 1HG1 VAL 98 -0.642 -0.617 4.527 731 1HG2 VAL 98 3HG2 VAL 98 1.266 1.728 4.457 732 2HG2 VAL 98 2HG2 VAL 98 0.141 2.953 5.012 733 3HG2 VAL 98 1HG2 VAL 98 0.147 1.367 5.760 734 H GLY 99 H GLY 99 -0.231 0.724 0.452 735 1HA GLY 99 2HA GLY 99 -3.115 0.599 -0.472 736 2HA GLY 99 1HA GLY 99 -1.804 0.780 -1.609 737 H LYS 100 H LYS 100 -3.551 -1.334 -1.942 738 HA LYS 100 HA LYS 100 -1.722 -3.571 -1.331 739 1HB LYS 100 2HB LYS 100 -3.275 -3.303 0.536 740 2HB LYS 100 1HB LYS 100 -4.635 -3.327 -0.563 741 1HG LYS 100 2HG LYS 100 -4.490 -5.507 0.455 742 2HG LYS 100 1HG LYS 100 -3.994 -5.705 -1.212 743 1HD LYS 100 2HD LYS 100 -2.050 -6.631 -0.318 744 2HD LYS 100 1HD LYS 100 -1.588 -5.011 0.021 745 1HE LYS 100 2HE LYS 100 -1.285 -6.035 2.046 746 2HE LYS 100 1HE LYS 100 -2.789 -5.136 2.228 747 1HZ LYS 100 3HZ LYS 100 -3.332 -7.623 0.996 748 2HZ LYS 100 2HZ LYS 100 -2.402 -7.949 2.308 749 3HZ LYS 100 1HZ LYS 100 -3.947 -7.169 2.433 750 H ILE 101 H ILE 101 -1.511 -5.281 -2.591 751 HA ILE 101 HA ILE 101 -3.193 -5.540 -5.032 752 HB ILE 101 HB ILE 101 -0.465 -5.222 -5.020 753 1HG1 ILE 101 2HG1 ILE 101 -2.356 -6.682 -6.917 754 2HG1 ILE 101 1HG1 ILE 101 -1.708 -5.068 -7.069 755 1HG2 ILE 101 3HG2 ILE 101 -0.041 -7.479 -3.957 756 2HG2 ILE 101 2HG2 ILE 101 -0.852 -8.241 -5.318 757 3HG2 ILE 101 1HG2 ILE 101 0.649 -7.381 -5.564 758 1HD1 ILE 101 1HD1 ILE 101 0.607 -6.063 -7.551 759 2HD1 ILE 101 3HD1 ILE 101 -0.076 -7.661 -7.481 760 3HD1 ILE 101 2HD1 ILE 101 -0.551 -6.579 -8.736 761 H THR 102 H THR 102 -4.259 -7.465 -5.180 762 HA THR 102 HA THR 102 -3.761 -9.796 -3.285 763 HB THR 102 HB THR 102 -6.291 -9.606 -4.924 764 HG1 THR 102 HG1 THR 102 -6.289 -8.664 -2.344 765 1HG2 THR 102 2HG2 THR 102 -5.753 -10.522 -2.060 766 2HG2 THR 102 1HG2 THR 102 -7.261 -10.678 -2.941 767 3HG2 THR 102 3HG2 THR 102 -5.847 -11.574 -3.443 768 H VAL 103 H VAL 103 -2.534 -11.467 -4.583 769 HA VAL 103 HA VAL 103 -3.056 -11.252 -7.544 770 HB VAL 103 HB VAL 103 -1.006 -12.954 -6.072 771 1HG1 VAL 103 1HG1 VAL 103 -1.052 -11.819 -8.894 772 2HG1 VAL 103 3HG1 VAL 103 0.222 -12.804 -8.196 773 3HG1 VAL 103 2HG1 VAL 103 -1.362 -13.492 -8.461 774 1HG2 VAL 103 2HG2 VAL 103 -0.746 -10.073 -6.990 775 2HG2 VAL 103 1HG2 VAL 103 -0.686 -10.644 -5.355 776 3HG2 VAL 103 3HG2 VAL 103 0.597 -11.075 -6.470 777 H ALA 104 H ALA 104 -5.090 -11.875 -6.621 778 HA ALA 104 HA ALA 104 -6.945 -13.263 -7.356 779 1HB ALA 104 2HB ALA 104 -5.354 -15.007 -8.403 780 2HB ALA 104 1HB ALA 104 -5.036 -15.632 -6.790 781 3HB ALA 104 3HB ALA 104 -6.644 -15.759 -7.474 782 H GLY 105 HN GLY 105 -4.716 -14.248 -5.027 783 1HA GLY 105 2HA GLY 105 -6.479 -14.000 -2.647 784 2HA GLY 105 1HA GLY 105 -5.461 -15.441 -2.856 No H/Q in entry = 784 Start of MODEL 13 1 1H GLU 1 1H GLU 1 -3.151 -7.293 -13.638 2 2H GLU 1 3H GLU 1 -2.656 -7.809 -12.127 3 3H GLU 1 2H GLU 1 -4.314 -7.500 -12.486 4 HA GLU 1 HA GLU 1 -4.064 -5.428 -11.875 5 1HB GLU 1 2HB GLU 1 -2.093 -4.731 -10.706 6 2HB GLU 1 1HB GLU 1 -2.118 -6.435 -10.491 7 1HG GLU 1 2HG GLU 1 -0.502 -5.588 -12.880 8 2HG GLU 1 1HG GLU 1 0.158 -5.370 -11.274 9 H THR 2 H THR 2 -3.710 -6.010 -14.748 10 HA THR 2 HA THR 2 -1.995 -3.951 -15.937 11 HB THR 2 HB THR 2 -4.301 -5.454 -17.296 12 HG1 THR 2 HG1 THR 2 -2.932 -7.046 -16.777 13 1HG2 THR 2 3HG2 THR 2 -2.926 -3.607 -18.601 14 2HG2 THR 2 2HG2 THR 2 -1.529 -4.613 -18.253 15 3HG2 THR 2 1HG2 THR 2 -2.827 -5.253 -19.218 16 H TYR 3 H TYR 3 -3.728 -2.980 -14.118 17 HA TYR 3 HA TYR 3 -5.461 -0.966 -15.533 18 1HB TYR 3 2HB TYR 3 -6.294 -1.236 -12.823 19 2HB TYR 3 1HB TYR 3 -7.161 -1.512 -14.312 20 HD1 TYR 3 HD1 TYR 3 -6.211 -3.898 -15.539 21 HD2 TYR 3 HD2 TYR 3 -6.369 -3.010 -11.400 22 HE1 TYR 3 HE1 TYR 3 -6.168 -6.313 -15.024 23 HE2 TYR 3 HE2 TYR 3 -6.330 -5.447 -10.909 24 HH TYR 3 HH TYR 3 -7.073 -7.676 -12.728 25 H THR 4 H THR 4 -5.793 1.071 -13.878 26 HA THR 4 HA THR 4 -3.077 1.967 -12.887 27 HB THR 4 HB THR 4 -3.736 3.299 -14.772 28 HG1 THR 4 HG1 THR 4 -4.282 5.143 -12.870 29 1HG2 THR 4 2HG2 THR 4 -6.080 4.214 -12.988 30 2HG2 THR 4 1HG2 THR 4 -5.668 4.835 -14.583 31 3HG2 THR 4 3HG2 THR 4 -6.307 3.210 -14.409 32 H VAL 5 H VAL 5 -2.753 2.794 -11.028 33 HA VAL 5 HA VAL 5 -4.913 3.111 -8.969 34 HB VAL 5 HB VAL 5 -2.001 2.395 -8.577 35 1HG1 VAL 5 1HG1 VAL 5 -4.367 2.528 -6.616 36 2HG1 VAL 5 3HG1 VAL 5 -2.771 1.931 -6.212 37 3HG1 VAL 5 2HG1 VAL 5 -2.996 3.622 -6.603 38 1HG2 VAL 5 2HG2 VAL 5 -4.543 0.719 -8.336 39 2HG2 VAL 5 1HG2 VAL 5 -3.329 0.568 -9.595 40 3HG2 VAL 5 3HG2 VAL 5 -2.919 0.174 -7.937 41 H LYS 6 H LYS 6 -4.851 4.898 -7.606 42 HA LYS 6 HA LYS 6 -3.100 7.198 -8.378 43 1HB LYS 6 2HB LYS 6 -5.361 7.459 -9.065 44 2HB LYS 6 1HB LYS 6 -5.963 6.877 -7.540 45 1HG LYS 6 2HG LYS 6 -5.040 8.966 -6.421 46 2HG LYS 6 1HG LYS 6 -4.648 9.590 -8.020 47 1HD LYS 6 2HD LYS 6 -7.130 9.273 -8.669 48 2HD LYS 6 1HD LYS 6 -7.439 8.619 -7.086 49 1HE LYS 6 2HE LYS 6 -8.216 10.841 -7.047 50 2HE LYS 6 1HE LYS 6 -6.771 10.753 -6.048 51 1HZ LYS 6 2HZ LYS 6 -5.978 11.256 -8.746 52 2HZ LYS 6 1HZ LYS 6 -7.154 12.407 -8.293 53 3HZ LYS 6 3HZ LYS 6 -5.819 12.286 -7.406 54 H LEU 7 H LEU 7 -1.584 7.856 -6.925 55 HA LEU 7 HA LEU 7 -2.201 7.559 -3.997 56 1HB LEU 7 2HB LEU 7 0.361 7.740 -3.758 57 2HB LEU 7 1HB LEU 7 -0.239 6.243 -4.391 58 HG LEU 7 HG LEU 7 0.521 8.388 -6.345 59 1HD1 LEU 7 1HD1 LEU 7 2.478 6.555 -4.876 60 2HD1 LEU 7 3HD1 LEU 7 2.884 7.580 -6.245 61 3HD1 LEU 7 2HD1 LEU 7 2.378 8.306 -4.738 62 1HD2 LEU 7 2HD2 LEU 7 -0.406 6.134 -7.073 63 2HD2 LEU 7 1HD2 LEU 7 1.244 6.364 -7.622 64 3HD2 LEU 7 3HD2 LEU 7 0.916 5.346 -6.227 65 H GLY 8 H GLY 8 -2.768 9.318 -3.156 66 1HA GLY 8 2HA GLY 8 -2.274 11.616 -2.297 67 2HA GLY 8 1HA GLY 8 -1.511 11.985 -3.855 68 H SER 9 H SER 9 -4.382 12.448 -2.140 69 HA SER 9 HA SER 9 -5.929 12.556 -4.706 70 1HB SER 9 2HB SER 9 -6.742 10.921 -3.082 71 2HB SER 9 1HB SER 9 -7.133 12.276 -1.987 72 HG SER 9 HG SER 9 -8.313 11.483 -4.266 73 H ASP 10 H ASP 10 -6.257 14.244 -5.487 74 HA ASP 10 HA ASP 10 -5.993 16.860 -5.033 75 1HB ASP 10 2HB ASP 10 -8.383 15.579 -6.493 76 2HB ASP 10 1HB ASP 10 -7.533 17.039 -6.954 77 H LYS 11 H LYS 11 -8.679 15.048 -3.942 78 HA LYS 11 HA LYS 11 -10.471 17.003 -2.958 79 1HB LYS 11 2HB LYS 11 -9.807 14.142 -2.051 80 2HB LYS 11 1HB LYS 11 -11.195 15.020 -1.427 81 1HG LYS 11 2HG LYS 11 -12.234 15.208 -3.602 82 2HG LYS 11 1HG LYS 11 -10.799 14.720 -4.452 83 1HD LYS 11 2HD LYS 11 -12.400 12.848 -2.592 84 2HD LYS 11 1HD LYS 11 -12.636 12.914 -4.330 85 1HE LYS 11 2HE LYS 11 -10.160 12.428 -4.571 86 2HE LYS 11 1HE LYS 11 -10.128 12.062 -2.844 87 1HZ LYS 11 3HZ LYS 11 -12.308 10.622 -4.080 88 2HZ LYS 11 2HZ LYS 11 -10.871 10.339 -4.912 89 3HZ LYS 11 1HZ LYS 11 -10.916 9.967 -3.391 90 H GLY 12 H GLY 12 -7.536 16.059 -1.637 91 1HA GLY 12 2HA GLY 12 -6.387 17.757 -0.130 92 2HA GLY 12 1HA GLY 12 -7.863 17.787 0.807 93 H LEU 13 H LEU 13 -6.547 14.811 -0.359 94 HA LEU 13 HA LEU 13 -5.450 14.216 2.373 95 1HB LEU 13 2HB LEU 13 -7.460 12.456 0.901 96 2HB LEU 13 1HB LEU 13 -6.677 12.023 2.409 97 HG LEU 13 HG LEU 13 -8.468 14.471 2.118 98 1HD1 LEU 13 2HD1 LEU 13 -8.993 11.696 3.297 99 2HD1 LEU 13 1HD1 LEU 13 -10.100 13.056 3.326 100 3HD1 LEU 13 3HD1 LEU 13 -9.688 12.300 1.801 101 1HD2 LEU 13 3HD2 LEU 13 -7.358 12.967 4.546 102 2HD2 LEU 13 2HD2 LEU 13 -6.791 14.539 3.995 103 3HD2 LEU 13 1HD2 LEU 13 -8.422 14.360 4.585 104 H LEU 14 H LEU 14 -4.005 12.445 2.636 105 HA LEU 14 HA LEU 14 -2.424 11.863 0.158 106 1HB LEU 14 2HB LEU 14 -1.823 11.013 3.016 107 2HB LEU 14 1HB LEU 14 -0.702 11.011 1.701 108 HG LEU 14 HG LEU 14 -1.859 13.542 2.956 109 1HD1 LEU 14 2HD1 LEU 14 -0.106 12.299 4.318 110 2HD1 LEU 14 1HD1 LEU 14 0.939 12.300 2.917 111 3HD1 LEU 14 3HD1 LEU 14 0.513 13.813 3.688 112 1HD2 LEU 14 1HD2 LEU 14 0.273 13.116 0.807 113 2HD2 LEU 14 3HD2 LEU 14 -1.339 13.741 0.491 114 3HD2 LEU 14 2HD2 LEU 14 -0.229 14.645 1.501 115 H VAL 15 H VAL 15 -4.785 10.667 -0.052 116 HA VAL 15 HA VAL 15 -4.543 7.889 0.994 117 HB VAL 15 HB VAL 15 -6.884 7.592 0.096 118 1HG1 VAL 15 2HG1 VAL 15 -6.438 10.076 1.796 119 2HG1 VAL 15 1HG1 VAL 15 -7.942 9.178 1.685 120 3HG1 VAL 15 3HG1 VAL 15 -6.522 8.437 2.397 121 1HG2 VAL 15 2HG2 VAL 15 -6.732 9.185 -1.802 122 2HG2 VAL 15 1HG2 VAL 15 -8.082 9.555 -0.753 123 3HG2 VAL 15 3HG2 VAL 15 -6.627 10.531 -0.665 124 H PHE 16 H PHE 16 -5.379 6.218 -0.315 125 HA PHE 16 HA PHE 16 -4.010 5.970 -2.958 126 1HB PHE 16 2HB PHE 16 -3.901 4.444 -0.467 127 2HB PHE 16 1HB PHE 16 -4.480 3.400 -1.728 128 HD1 PHE 16 HD2 PHE 16 -2.766 4.566 -4.065 129 HD2 PHE 16 HD1 PHE 16 -1.907 3.483 -0.051 130 HE1 PHE 16 HE2 PHE 16 -0.442 4.074 -4.687 131 HE2 PHE 16 HE1 PHE 16 0.421 2.996 -0.661 132 HZ PHE 16 HZ PHE 16 1.155 3.290 -2.979 133 H GLU 17 H GLU 17 -5.559 6.111 -4.499 134 HA GLU 17 HA GLU 17 -8.206 4.768 -4.027 135 1HB GLU 17 2HB GLU 17 -7.508 6.781 -6.185 136 2HB GLU 17 1HB GLU 17 -9.111 6.221 -5.780 137 1HG GLU 17 2HG GLU 17 -8.667 7.189 -3.369 138 2HG GLU 17 1HG GLU 17 -7.332 8.056 -4.083 139 HA PRO 18 HA PRO 18 -9.042 3.029 -4.055 140 1HB PRO 18 2HB PRO 18 -10.284 0.929 -4.896 141 2HB PRO 18 1HB PRO 18 -10.504 2.463 -5.769 142 1HG PRO 18 2HG PRO 18 -8.633 0.115 -6.466 143 2HG PRO 18 1HG PRO 18 -9.729 0.956 -7.561 144 1HD PRO 18 2HD PRO 18 -6.976 1.586 -7.226 145 2HD PRO 18 1HD PRO 18 -8.178 2.691 -7.924 146 H ALA 19 H ALA 19 -6.894 2.689 -3.027 147 HA ALA 19 HA ALA 19 -5.080 1.252 -2.261 148 1HB ALA 19 3HB ALA 19 -6.303 2.582 -0.628 149 2HB ALA 19 2HB ALA 19 -7.522 1.336 -0.460 150 3HB ALA 19 1HB ALA 19 -5.886 1.047 0.111 151 H LYS 20 H LYS 20 -7.949 -0.654 -2.206 152 HA LYS 20 HA LYS 20 -6.351 -3.182 -1.765 153 1HB LYS 20 2HB LYS 20 -8.623 -4.145 -1.065 154 2HB LYS 20 1HB LYS 20 -7.975 -2.891 -0.042 155 1HG LYS 20 2HG LYS 20 -9.588 -1.359 -0.519 156 2HG LYS 20 1HG LYS 20 -9.625 -1.730 -2.219 157 1HD LYS 20 2HD LYS 20 -10.874 -3.510 -0.031 158 2HD LYS 20 1HD LYS 20 -11.806 -2.305 -0.879 159 1HE LYS 20 2HE LYS 20 -10.377 -4.687 -2.171 160 2HE LYS 20 1HE LYS 20 -12.112 -4.558 -1.893 161 1HZ LYS 20 2HZ LYS 20 -11.251 -2.173 -3.116 162 2HZ LYS 20 1HZ LYS 20 -10.519 -3.399 -3.949 163 3HZ LYS 20 3HZ LYS 20 -12.230 -3.352 -3.858 164 H LEU 21 H LEU 21 -5.738 -3.913 -3.690 165 HA LEU 21 HA LEU 21 -7.744 -4.329 -5.838 166 1HB LEU 21 2HB LEU 21 -5.558 -2.858 -5.959 167 2HB LEU 21 1HB LEU 21 -4.827 -4.378 -6.331 168 HG LEU 21 HG LEU 21 -7.034 -2.936 -7.859 169 1HD1 LEU 21 2HD1 LEU 21 -4.284 -3.981 -8.555 170 2HD1 LEU 21 1HD1 LEU 21 -5.388 -3.352 -9.747 171 3HD1 LEU 21 3HD1 LEU 21 -4.801 -2.338 -8.450 172 1HD2 LEU 21 2HD2 LEU 21 -6.355 -5.902 -8.380 173 2HD2 LEU 21 1HD2 LEU 21 -7.856 -5.296 -7.784 174 3HD2 LEU 21 3HD2 LEU 21 -7.365 -4.878 -9.373 175 H THR 22 H THR 22 -8.504 -6.409 -5.863 176 HA THR 22 HA THR 22 -6.699 -8.732 -5.467 177 HB THR 22 HB THR 22 -9.648 -8.673 -6.388 178 HG1 THR 22 HG1 THR 22 -9.325 -9.660 -4.030 179 1HG2 THR 22 3HG2 THR 22 -7.937 -10.866 -5.063 180 2HG2 THR 22 2HG2 THR 22 -9.604 -11.033 -5.604 181 3HG2 THR 22 1HG2 THR 22 -8.309 -10.870 -6.773 182 H ILE 23 H ILE 23 -5.304 -8.021 -7.001 183 HA ILE 23 HA ILE 23 -5.868 -8.010 -9.842 184 HB ILE 23 HB ILE 23 -3.375 -7.887 -10.099 185 1HG1 ILE 23 2HG1 ILE 23 -3.063 -7.703 -7.136 186 2HG1 ILE 23 1HG1 ILE 23 -3.219 -9.300 -7.801 187 1HG2 ILE 23 3HG2 ILE 23 -4.448 -6.112 -7.880 188 2HG2 ILE 23 2HG2 ILE 23 -3.050 -5.758 -8.843 189 3HG2 ILE 23 1HG2 ILE 23 -4.636 -5.772 -9.598 190 1HD1 ILE 23 2HD1 ILE 23 -1.200 -7.284 -8.864 191 2HD1 ILE 23 1HD1 ILE 23 -0.813 -8.613 -7.802 192 3HD1 ILE 23 3HD1 ILE 23 -1.394 -8.922 -9.397 193 H LYS 24 H LYS 24 -4.349 -9.220 -11.384 194 HA LYS 24 HA LYS 24 -4.755 -11.989 -10.744 195 1HB LYS 24 2HB LYS 24 -3.661 -10.670 -13.238 196 2HB LYS 24 1HB LYS 24 -4.451 -12.235 -13.079 197 1HG LYS 24 2HG LYS 24 -6.605 -11.182 -12.409 198 2HG LYS 24 1HG LYS 24 -5.896 -9.612 -12.419 199 1HD LYS 24 2HD LYS 24 -7.097 -9.872 -14.353 200 2HD LYS 24 1HD LYS 24 -5.390 -9.721 -14.716 201 1HE LYS 24 2HE LYS 24 -6.783 -12.463 -14.576 202 2HE LYS 24 1HE LYS 24 -6.690 -11.574 -16.077 203 1HZ LYS 24 2HZ LYS 24 -4.130 -11.466 -14.993 204 2HZ LYS 24 1HZ LYS 24 -4.694 -13.072 -14.760 205 3HZ LYS 24 3HZ LYS 24 -4.554 -12.363 -16.310 206 HA PRO 25 HA PRO 25 -0.352 -12.632 -9.970 207 1HB PRO 25 2HB PRO 25 0.199 -15.129 -10.722 208 2HB PRO 25 1HB PRO 25 -1.123 -14.866 -9.589 209 1HG PRO 25 2HG PRO 25 -1.303 -15.163 -12.637 210 2HG PRO 25 1HG PRO 25 -2.224 -16.058 -11.422 211 1HD PRO 25 2HD PRO 25 -3.175 -13.811 -12.672 212 2HD PRO 25 1HD PRO 25 -3.690 -14.227 -11.017 213 H GLY 26 H GLY 26 0.079 -10.784 -11.648 214 1HA GLY 26 2HA GLY 26 2.276 -10.459 -12.926 215 2HA GLY 26 1HA GLY 26 1.981 -11.965 -13.730 216 H ASP 27 H ASP 27 0.305 -8.982 -13.272 217 HA ASP 27 HA ASP 27 -0.241 -8.700 -16.216 218 1HB ASP 27 2HB ASP 27 -1.700 -8.368 -13.732 219 2HB ASP 27 1HB ASP 27 -1.888 -6.973 -14.763 220 H THR 28 H THR 28 -0.793 -5.938 -16.100 221 HA THR 28 HA THR 28 1.784 -4.745 -15.274 222 HB THR 28 HB THR 28 0.038 -3.780 -17.486 223 HG1 THR 28 HG1 THR 28 2.403 -5.380 -17.126 224 1HG2 THR 28 3HG2 THR 28 3.026 -3.291 -16.822 225 2HG2 THR 28 2HG2 THR 28 2.163 -2.649 -18.202 226 3HG2 THR 28 1HG2 THR 28 1.790 -2.056 -16.598 227 H VAL 29 H VAL 29 0.683 -4.105 -13.092 228 HA VAL 29 HA VAL 29 -1.209 -1.934 -13.265 229 HB VAL 29 HB VAL 29 -0.962 -3.380 -11.292 230 1HG1 VAL 29 3HG1 VAL 29 1.497 -3.613 -11.229 231 2HG1 VAL 29 2HG1 VAL 29 1.655 -1.924 -10.781 232 3HG1 VAL 29 1HG1 VAL 29 0.895 -3.065 -9.686 233 1HG2 VAL 29 3HG2 VAL 29 -2.020 -1.149 -10.965 234 2HG2 VAL 29 2HG2 VAL 29 -1.138 -1.621 -9.524 235 3HG2 VAL 29 1HG2 VAL 29 -0.458 -0.442 -10.619 236 H GLU 30 H GLU 30 -1.132 0.108 -13.205 237 HA GLU 30 HA GLU 30 1.446 1.522 -13.393 238 1HB GLU 30 2HB GLU 30 0.086 1.498 -15.430 239 2HB GLU 30 1HB GLU 30 -1.261 2.204 -14.552 240 1HG GLU 30 2HG GLU 30 -0.238 4.153 -15.472 241 2HG GLU 30 1HG GLU 30 0.555 4.093 -13.925 242 H PHE 31 H PHE 31 1.876 2.935 -11.744 243 HA PHE 31 HA PHE 31 -0.337 3.843 -9.929 244 1HB PHE 31 2HB PHE 31 2.593 3.312 -9.449 245 2HB PHE 31 1HB PHE 31 1.664 4.240 -8.297 246 HD1 PHE 31 HD1 PHE 31 2.129 0.915 -9.805 247 HD2 PHE 31 HD2 PHE 31 0.005 3.176 -6.905 248 HE1 PHE 31 HE1 PHE 31 1.367 -1.152 -8.746 249 HE2 PHE 31 HE2 PHE 31 -0.761 1.098 -5.837 250 HZ PHE 31 HZ PHE 31 -0.083 -1.077 -6.758 251 H LEU 32 H LEU 32 -0.863 5.985 -10.091 252 HA LEU 32 HA LEU 32 1.124 7.826 -11.244 253 1HB LEU 32 2HB LEU 32 -1.173 7.487 -12.234 254 2HB LEU 32 1HB LEU 32 -1.854 8.228 -10.805 255 HG LEU 32 HG LEU 32 0.255 9.716 -12.462 256 1HD1 LEU 32 2HD1 LEU 32 -2.779 9.699 -12.829 257 2HD1 LEU 32 1HD1 LEU 32 -1.644 10.735 -13.679 258 3HD1 LEU 32 3HD1 LEU 32 -1.630 9.006 -13.958 259 1HD2 LEU 32 2HD2 LEU 32 -2.102 10.632 -10.764 260 2HD2 LEU 32 1HD2 LEU 32 -0.438 10.648 -10.207 261 3HD2 LEU 32 3HD2 LEU 32 -0.919 11.668 -11.541 262 H ASN 33 H ASN 33 2.107 9.212 -10.152 263 HA ASN 33 HA ASN 33 1.750 9.725 -7.217 264 1HB ASN 33 2HB ASN 33 3.967 9.094 -8.401 265 2HB ASN 33 1HB ASN 33 3.925 10.633 -9.216 266 1HD2 ASN 33 2HD2 ASN 33 5.754 11.960 -6.544 267 2HD2 ASN 33 1HD2 ASN 33 5.465 11.982 -8.212 268 H ASN 34 H ASN 34 -0.019 10.992 -7.083 269 HA ASN 34 HA ASN 34 -0.306 13.360 -8.856 270 1HB ASN 34 2HB ASN 34 -2.047 11.755 -8.913 271 2HB ASN 34 1HB ASN 34 -2.219 11.756 -7.172 272 1HD2 ASN 34 2HD2 ASN 34 -4.676 14.128 -7.471 273 2HD2 ASN 34 1HD2 ASN 34 -4.035 12.775 -6.641 274 H LYS 35 H LYS 35 -0.422 12.964 -5.319 275 HA LYS 35 HA LYS 35 -0.002 15.931 -5.172 276 1HB LYS 35 2HB LYS 35 -2.189 14.388 -3.677 277 2HB LYS 35 1HB LYS 35 -1.794 16.049 -3.324 278 1HG LYS 35 2HG LYS 35 -2.784 15.035 -6.036 279 2HG LYS 35 1HG LYS 35 -3.786 15.816 -4.849 280 1HD LYS 35 2HD LYS 35 -2.473 17.920 -5.012 281 2HD LYS 35 1HD LYS 35 -1.338 17.193 -6.130 282 1HE LYS 35 2HE LYS 35 -4.304 17.496 -6.704 283 2HE LYS 35 1HE LYS 35 -3.074 18.623 -7.247 284 1HZ LYS 35 3HZ LYS 35 -2.167 16.000 -7.880 285 2HZ LYS 35 2HZ LYS 35 -3.772 16.118 -8.331 286 3HZ LYS 35 1HZ LYS 35 -2.652 17.162 -8.988 287 H VAL 36 H VAL 36 0.705 16.754 -3.148 288 HA VAL 36 HA VAL 36 2.713 16.673 -1.774 289 HB VAL 36 HB VAL 36 0.527 15.172 -0.350 290 1HG1 VAL 36 2HG1 VAL 36 2.785 16.951 0.732 291 2HG1 VAL 36 1HG1 VAL 36 1.510 16.256 1.712 292 3HG1 VAL 36 3HG1 VAL 36 2.681 15.214 0.937 293 1HG2 VAL 36 3HG2 VAL 36 1.043 18.184 -0.564 294 2HG2 VAL 36 2HG2 VAL 36 -0.309 17.332 -1.298 295 3HG2 VAL 36 1HG2 VAL 36 -0.186 17.444 0.442 296 HA PRO 37 HA PRO 37 4.583 12.536 -2.064 297 1HB PRO 37 2HB PRO 37 5.758 12.649 -4.509 298 2HB PRO 37 1HB PRO 37 4.023 12.870 -4.439 299 1HG PRO 37 2HG PRO 37 6.118 15.091 -4.455 300 2HG PRO 37 1HG PRO 37 4.762 14.867 -5.564 301 1HD PRO 37 2HD PRO 37 4.679 16.374 -3.137 302 2HD PRO 37 1HD PRO 37 3.252 15.814 -4.044 303 HA PRO 38 HA PRO 38 7.315 12.131 -3.624 304 1HB PRO 38 2HB PRO 38 9.653 11.394 -3.170 305 2HB PRO 38 1HB PRO 38 9.258 13.098 -3.465 306 1HG PRO 38 2HG PRO 38 9.810 11.744 -0.754 307 2HG PRO 38 1HG PRO 38 10.464 13.275 -1.335 308 1HD PRO 38 2HD PRO 38 8.046 13.015 0.217 309 2HD PRO 38 1HD PRO 38 8.561 14.459 -0.668 310 H HIS 39 HN HIP 39 5.754 10.794 -3.167 311 HA HIS 39 HA HIP 39 5.543 8.634 -1.325 312 1HB HIS 39 2HB HIP 39 4.382 8.846 -4.133 313 2HB HIS 39 1HB HIP 39 3.821 7.679 -2.952 314 HD2 HIS 39 HD2 HIP 39 3.044 11.069 -4.173 315 HE1 HIS 39 HE1 HIP 39 1.732 11.142 -0.230 316 HE2 HIS 39 HE2 HIP 39 1.738 12.265 -2.400 317 H ASN 40 H ASN 40 7.857 7.926 -1.462 318 HA ASN 40 HA ASN 40 8.586 6.013 -3.567 319 1HB ASN 40 2HB ASN 40 10.316 7.263 -2.527 320 2HB ASN 40 1HB ASN 40 9.824 6.862 -0.897 321 1HD2 ASN 40 2HD2 ASN 40 11.519 3.569 -2.058 322 2HD2 ASN 40 1HD2 ASN 40 9.848 3.803 -2.298 323 H VAL 41 H VAL 41 6.567 4.705 -3.337 324 HA VAL 41 HA VAL 41 6.027 3.218 -0.957 325 HB VAL 41 HB VAL 41 5.139 1.375 -2.427 326 1HG1 VAL 41 1HG1 VAL 41 4.175 4.250 -3.019 327 2HG1 VAL 41 3HG1 VAL 41 3.222 2.801 -3.292 328 3HG1 VAL 41 2HG1 VAL 41 3.657 3.270 -1.658 329 1HG2 VAL 41 2HG2 VAL 41 6.552 1.807 -4.459 330 2HG2 VAL 41 1HG2 VAL 41 4.856 1.923 -4.876 331 3HG2 VAL 41 3HG2 VAL 41 5.802 3.379 -4.663 332 H VAL 42 H VAL 42 6.765 1.603 -0.038 333 HA VAL 42 HA VAL 42 9.133 0.077 -0.958 334 HB VAL 42 HB VAL 42 8.100 0.739 1.798 335 1HG1 VAL 42 2HG1 VAL 42 10.725 -0.509 0.850 336 2HG1 VAL 42 1HG1 VAL 42 10.333 -0.124 2.523 337 3HG1 VAL 42 3HG1 VAL 42 9.426 -1.375 1.672 338 1HG2 VAL 42 2HG2 VAL 42 10.466 1.905 0.257 339 2HG2 VAL 42 1HG2 VAL 42 8.987 2.737 0.677 340 3HG2 VAL 42 3HG2 VAL 42 10.092 2.254 1.934 341 H PHE 43 H PHE 43 8.652 -2.127 -1.231 342 HA PHE 43 HA PHE 43 5.884 -3.048 -0.658 343 1HB PHE 43 2HB PHE 43 8.123 -4.002 -2.402 344 2HB PHE 43 1HB PHE 43 7.082 -5.246 -1.748 345 HD1 PHE 43 HD1 PHE 43 6.864 -1.952 -3.527 346 HD2 PHE 43 HD2 PHE 43 5.036 -5.679 -2.740 347 HE1 PHE 43 HE1 PHE 43 5.127 -1.428 -5.191 348 HE2 PHE 43 HE2 PHE 43 3.286 -5.171 -4.398 349 HZ PHE 43 HZ PHE 43 3.331 -3.043 -5.623 350 H ASP 44 H ASP 44 5.457 -4.662 0.873 351 HA ASP 44 HA ASP 44 7.295 -4.724 3.058 352 1HB ASP 44 2HB ASP 44 4.697 -4.778 3.032 353 2HB ASP 44 1HB ASP 44 4.884 -6.506 2.843 354 H ALA 45 H ALA 45 7.470 -6.699 4.442 355 HA ALA 45 HA ALA 45 9.065 -8.793 3.123 356 1HB ALA 45 2HB ALA 45 9.267 -7.588 5.906 357 2HB ALA 45 1HB ALA 45 10.302 -8.866 5.284 358 3HB ALA 45 3HB ALA 45 10.351 -7.271 4.553 359 H ALA 46 H ALA 46 6.360 -8.277 5.052 360 HA ALA 46 HA ALA 46 6.025 -11.129 5.833 361 1HB ALA 46 1HB ALA 46 4.789 -8.547 6.919 362 2HB ALA 46 3HB ALA 46 4.463 -10.146 7.572 363 3HB ALA 46 2HB ALA 46 6.077 -9.455 7.684 364 H LEU 47 H LEU 47 4.424 -8.346 4.495 365 HA LEU 47 HA LEU 47 2.183 -9.946 3.302 366 1HB LEU 47 2HB LEU 47 2.712 -6.943 3.574 367 2HB LEU 47 1HB LEU 47 1.334 -7.585 2.700 368 HG LEU 47 HG LEU 47 0.691 -6.779 4.949 369 1HD1 LEU 47 1HD1 LEU 47 -0.554 -8.711 3.984 370 2HD1 LEU 47 3HD1 LEU 47 0.584 -9.819 4.724 371 3HD1 LEU 47 2HD1 LEU 47 -0.464 -8.840 5.724 372 1HD2 LEU 47 1HD2 LEU 47 2.854 -7.240 6.094 373 2HD2 LEU 47 3HD2 LEU 47 1.483 -7.908 6.967 374 3HD2 LEU 47 2HD2 LEU 47 2.508 -8.960 6.023 375 H ASN 48 H ASN 48 4.217 -10.741 2.276 376 HA ASN 48 HA ASN 48 4.433 -9.761 -0.530 377 1HB ASN 48 2HB ASN 48 6.985 -10.086 -0.320 378 2HB ASN 48 1HB ASN 48 6.356 -8.803 0.711 379 1HD2 ASN 48 2HD2 ASN 48 8.419 -11.237 2.713 380 2HD2 ASN 48 1HD2 ASN 48 8.811 -10.624 1.187 381 HA PRO 49 HA PRO 49 2.591 -13.386 1.193 382 1HB PRO 49 2HB PRO 49 2.523 -15.186 -1.133 383 2HB PRO 49 1HB PRO 49 1.194 -14.362 -0.331 384 1HG PRO 49 2HG PRO 49 2.867 -13.400 -2.679 385 2HG PRO 49 1HG PRO 49 1.172 -13.081 -2.323 386 1HD PRO 49 2HD PRO 49 2.960 -11.119 -1.899 387 2HD PRO 49 1HD PRO 49 1.764 -11.434 -0.617 388 H ALA 50 H ALA 50 5.302 -14.368 -0.763 389 HA ALA 50 HA ALA 50 5.912 -16.708 0.927 390 1HB ALA 50 2HB ALA 50 6.281 -16.721 -1.543 391 2HB ALA 50 1HB ALA 50 7.407 -15.379 -1.379 392 3HB ALA 50 3HB ALA 50 7.811 -16.944 -0.702 393 H LYS 51 H LYS 51 5.860 -14.317 2.288 394 HA LYS 51 HA LYS 51 7.270 -12.677 3.458 395 1HB LYS 51 2HB LYS 51 7.247 -15.426 4.673 396 2HB LYS 51 1HB LYS 51 7.653 -13.973 5.571 397 1HG LYS 51 2HG LYS 51 5.517 -12.922 5.146 398 2HG LYS 51 1HG LYS 51 5.031 -14.078 3.960 399 1HD LYS 51 2HD LYS 51 5.470 -14.719 6.907 400 2HD LYS 51 1HD LYS 51 3.905 -14.344 6.189 401 1HE LYS 51 2HE LYS 51 4.245 -16.253 4.576 402 2HE LYS 51 1HE LYS 51 5.722 -16.677 5.440 403 1HZ LYS 51 3HZ LYS 51 3.681 -16.238 7.348 404 2HZ LYS 51 2HZ LYS 51 3.052 -17.292 6.190 405 3HZ LYS 51 1HZ LYS 51 4.471 -17.699 7.028 406 H SER 52 H SER 52 8.878 -12.820 1.609 407 HA SER 52 HA SER 52 11.607 -13.525 2.615 408 1HB SER 52 2HB SER 52 12.214 -13.969 0.355 409 2HB SER 52 1HB SER 52 10.564 -14.544 0.476 410 HG SER 52 HG SER 52 11.450 -12.749 -1.121 411 H ALA 53 H ALA 53 13.243 -12.098 1.132 412 HA ALA 53 HA ALA 53 12.610 -9.183 1.645 413 1HB ALA 53 3HB ALA 53 15.264 -10.710 1.992 414 2HB ALA 53 2HB ALA 53 15.066 -8.988 2.292 415 3HB ALA 53 1HB ALA 53 14.231 -10.163 3.299 416 H ASP 54 H ASP 54 14.826 -11.227 0.066 417 HA ASP 54 HA ASP 54 16.090 -10.159 -1.941 418 1HB ASP 54 2HB ASP 54 15.316 -12.551 -3.072 419 2HB ASP 54 1HB ASP 54 16.212 -12.553 -1.561 420 H LEU 55 H LEU 55 12.884 -11.256 -2.733 421 HA LEU 55 HA LEU 55 12.757 -9.408 -5.087 422 1HB LEU 55 2HB LEU 55 12.078 -11.902 -5.216 423 2HB LEU 55 1HB LEU 55 10.755 -11.565 -4.141 424 HG LEU 55 HG LEU 55 11.115 -10.280 -6.908 425 1HD1 LEU 55 1HD1 LEU 55 9.207 -12.453 -5.919 426 2HD1 LEU 55 3HD1 LEU 55 9.211 -11.761 -7.524 427 3HD1 LEU 55 2HD1 LEU 55 10.569 -12.714 -6.989 428 1HD2 LEU 55 3HD2 LEU 55 8.724 -10.262 -4.992 429 2HD2 LEU 55 2HD2 LEU 55 9.707 -8.852 -5.356 430 3HD2 LEU 55 1HD2 LEU 55 8.738 -9.583 -6.603 431 H ALA 56 H ALA 56 10.797 -10.393 -2.361 432 HA ALA 56 HA ALA 56 8.755 -8.777 -1.981 433 1HB ALA 56 3HB ALA 56 9.676 -10.383 -0.370 434 2HB ALA 56 2HB ALA 56 10.961 -9.279 0.045 435 3HB ALA 56 1HB ALA 56 9.310 -8.869 0.459 436 H LYS 57 H LYS 57 11.931 -7.432 -1.204 437 HA LYS 57 HA LYS 57 10.685 -4.673 -1.166 438 1HB LYS 57 2HB LYS 57 13.616 -5.423 -0.523 439 2HB LYS 57 1HB LYS 57 12.773 -4.008 0.050 440 1HG LYS 57 2HG LYS 57 12.318 -6.906 0.932 441 2HG LYS 57 1HG LYS 57 13.140 -5.701 1.877 442 1HD LYS 57 2HD LYS 57 10.189 -5.616 1.055 443 2HD LYS 57 1HD LYS 57 10.754 -6.111 2.627 444 1HE LYS 57 2HE LYS 57 11.772 -3.760 2.887 445 2HE LYS 57 1HE LYS 57 10.922 -3.338 1.393 446 1HZ LYS 57 2HZ LYS 57 9.105 -4.728 2.957 447 2HZ LYS 57 1HZ LYS 57 9.665 -3.513 4.003 448 3HZ LYS 57 3HZ LYS 57 8.986 -3.172 2.540 449 H SER 58 H SER 58 13.168 -6.449 -2.933 450 HA SER 58 HA SER 58 14.120 -4.314 -4.559 451 1HB SER 58 2HB SER 58 13.425 -7.165 -5.412 452 2HB SER 58 1HB SER 58 14.320 -6.015 -6.435 453 HG SER 58 HG SER 58 15.192 -7.402 -4.295 454 H LEU 59 H LEU 59 11.197 -6.057 -4.628 455 HA LEU 59 HA LEU 59 9.847 -5.238 -6.928 456 1HB LEU 59 2HB LEU 59 9.249 -6.783 -4.748 457 2HB LEU 59 1HB LEU 59 8.339 -5.375 -4.301 458 HG LEU 59 HG LEU 59 8.022 -6.861 -6.951 459 1HD1 LEU 59 2HD1 LEU 59 6.282 -6.735 -4.454 460 2HD1 LEU 59 1HD1 LEU 59 5.870 -7.575 -5.943 461 3HD1 LEU 59 3HD1 LEU 59 7.214 -8.133 -4.959 462 1HD2 LEU 59 1HD2 LEU 59 6.387 -4.623 -5.678 463 2HD2 LEU 59 3HD2 LEU 59 7.416 -4.439 -7.086 464 3HD2 LEU 59 2HD2 LEU 59 6.000 -5.458 -7.170 465 H SER 60 H SER 60 9.881 -3.461 -3.759 466 HA SER 60 HA SER 60 8.332 -1.285 -4.876 467 1HB SER 60 2HB SER 60 9.691 0.056 -2.967 468 2HB SER 60 1HB SER 60 8.289 -0.929 -2.650 469 HG SER 60 HG SER 60 10.777 -2.257 -2.791 470 H HIS 61 H HIS 61 8.616 0.318 -5.942 471 HA HIS 61 HA HIS 61 10.187 1.185 -7.814 472 1HB HIS 61 2HB HIS 61 9.165 3.003 -5.567 473 2HB HIS 61 1HB HIS 61 9.608 3.576 -7.173 474 HD1 HIS 61 HD1 HIS 61 6.822 4.025 -6.759 475 HD2 HIS 61 HD2 HIS 61 7.987 0.288 -7.901 476 HE1 HIS 61 HE1 HIS 61 4.809 2.903 -7.720 477 H LYS 62 H LYS 62 11.262 1.804 -4.671 478 HA LYS 62 HA LYS 62 13.469 1.564 -3.890 479 1HB LYS 62 2HB LYS 62 14.326 2.685 -6.607 480 2HB LYS 62 1HB LYS 62 15.451 2.587 -5.315 481 1HG LYS 62 2HG LYS 62 13.851 0.118 -6.004 482 2HG LYS 62 1HG LYS 62 15.203 0.572 -6.992 483 1HD LYS 62 2HD LYS 62 15.938 -1.031 -5.275 484 2HD LYS 62 1HD LYS 62 16.751 0.486 -5.022 485 1HE LYS 62 2HE LYS 62 14.248 -0.265 -3.472 486 2HE LYS 62 1HE LYS 62 15.831 -0.822 -2.967 487 1HZ LYS 62 2HZ LYS 62 16.054 1.960 -3.546 488 2HZ LYS 62 1HZ LYS 62 14.752 1.826 -2.539 489 3HZ LYS 62 3HZ LYS 62 16.253 1.252 -2.068 490 H GLN 63 H GLN 63 13.201 4.742 -5.495 491 HA GLN 63 HA GLN 63 14.050 5.878 -2.847 492 1HB GLN 63 2HB GLN 63 14.817 7.067 -5.544 493 2HB GLN 63 1HB GLN 63 15.523 7.443 -3.989 494 1HG GLN 63 2HG GLN 63 15.857 4.806 -5.541 495 2HG GLN 63 1HG GLN 63 17.105 5.974 -5.208 496 1HE2 GLN 63 2HE2 GLN 63 16.969 4.867 -1.651 497 2HE2 GLN 63 1HE2 GLN 63 16.554 6.343 -2.385 498 H LEU 64 H LEU 64 13.645 8.256 -2.659 499 HA LEU 64 HA LEU 64 11.047 9.014 -2.350 500 1HB LEU 64 2HB LEU 64 11.784 11.314 -2.313 501 2HB LEU 64 1HB LEU 64 12.995 10.300 -1.590 502 HG LEU 64 HG LEU 64 13.210 11.297 -4.472 503 1HD1 LEU 64 2HD1 LEU 64 14.402 12.404 -1.884 504 2HD1 LEU 64 1HD1 LEU 64 14.749 12.990 -3.498 505 3HD1 LEU 64 3HD1 LEU 64 13.146 13.186 -2.827 506 1HD2 LEU 64 1HD2 LEU 64 15.273 10.208 -2.504 507 2HD2 LEU 64 3HD2 LEU 64 14.653 9.359 -3.922 508 3HD2 LEU 64 2HD2 LEU 64 15.597 10.806 -4.122 509 H LEU 65 H LEU 65 9.254 9.249 -3.631 510 HA LEU 65 HA LEU 65 9.605 9.455 -6.570 511 1HB LEU 65 2HB LEU 65 7.710 8.222 -5.019 512 2HB LEU 65 1HB LEU 65 6.858 9.717 -5.332 513 HG LEU 65 HG LEU 65 6.144 8.303 -7.072 514 1HD1 LEU 65 1HD1 LEU 65 7.050 10.451 -8.074 515 2HD1 LEU 65 3HD1 LEU 65 8.578 9.653 -8.350 516 3HD1 LEU 65 2HD1 LEU 65 7.147 9.087 -9.166 517 1HD2 LEU 65 3HD2 LEU 65 7.759 6.492 -6.610 518 2HD2 LEU 65 2HD2 LEU 65 7.690 6.834 -8.330 519 3HD2 LEU 65 1HD2 LEU 65 9.043 7.411 -7.375 520 H MET 66 H MET 66 10.765 11.448 -5.977 521 HA MET 66 HA MET 66 9.568 13.959 -5.305 522 1HB MET 66 2HB MET 66 12.015 13.238 -5.270 523 2HB MET 66 1HB MET 66 12.050 13.470 -7.004 524 1HG MET 66 2HG MET 66 12.877 15.475 -5.886 525 2HG MET 66 1HG MET 66 11.371 15.864 -6.661 526 1HE MET 66 3HE MET 66 10.048 17.543 -5.671 527 2HE MET 66 2HE MET 66 9.008 16.164 -5.255 528 3HE MET 66 1HE MET 66 9.337 17.419 -4.078 529 H SER 67 H SER 67 9.387 12.307 -8.265 530 HA SER 67 HA SER 67 8.527 14.761 -9.757 531 1HB SER 67 2HB SER 67 8.937 13.344 -11.794 532 2HB SER 67 1HB SER 67 10.365 13.492 -10.757 533 HG SER 67 HG SER 67 8.423 11.384 -10.596 534 HA PRO 68 HA PRO 68 4.368 12.680 -9.427 535 1HB PRO 68 2HB PRO 68 2.964 14.819 -8.544 536 2HB PRO 68 1HB PRO 68 3.923 13.858 -7.414 537 1HG PRO 68 2HG PRO 68 4.866 16.353 -8.974 538 2HG PRO 68 1HG PRO 68 4.806 16.215 -7.220 539 1HD PRO 68 2HD PRO 68 7.080 15.670 -8.501 540 2HD PRO 68 1HD PRO 68 6.597 14.515 -7.235 541 H GLY 69 H GLY 69 2.417 13.395 -10.553 542 1HA GLY 69 2HA GLY 69 1.364 14.698 -12.420 543 2HA GLY 69 1HA GLY 69 2.974 15.088 -13.004 544 H GLN 70 H GLN 70 3.917 12.440 -12.690 545 HA GLN 70 HA GLN 70 2.669 11.180 -15.100 546 1HB GLN 70 2HB GLN 70 4.888 10.340 -15.620 547 2HB GLN 70 1HB GLN 70 5.092 12.001 -15.108 548 1HG GLN 70 2HG GLN 70 5.523 11.042 -12.687 549 2HG GLN 70 1HG GLN 70 5.620 9.469 -13.451 550 1HE2 GLN 70 2HE2 GLN 70 8.870 11.482 -13.273 551 2HE2 GLN 70 1HE2 GLN 70 7.516 11.689 -12.245 552 H SER 71 H SER 71 3.158 8.865 -15.342 553 HA SER 71 HA SER 71 2.192 7.297 -12.975 554 1HB SER 71 2HB SER 71 1.758 6.775 -15.941 555 2HB SER 71 1HB SER 71 1.031 5.908 -14.599 556 HG SER 71 HG SER 71 0.582 8.345 -13.921 557 H THR 72 H THR 72 3.286 5.683 -12.255 558 HA THR 72 HA THR 72 5.719 4.642 -13.678 559 HB THR 72 HB THR 72 5.259 4.508 -10.687 560 HG1 THR 72 HG1 THR 72 7.000 6.264 -12.034 561 1HG2 THR 72 1HG2 THR 72 7.761 4.516 -12.485 562 2HG2 THR 72 3HG2 THR 72 7.723 4.326 -10.734 563 3HG2 THR 72 2HG2 THR 72 7.088 3.061 -11.771 564 H SER 73 H SER 73 5.520 2.355 -14.274 565 HA SER 73 HA SER 73 3.301 0.868 -12.969 566 1HB SER 73 2HB SER 73 4.293 -0.819 -14.963 567 2HB SER 73 1HB SER 73 2.940 0.308 -15.109 568 HG SER 73 HG SER 73 4.188 1.824 -15.809 569 H THR 74 H THR 74 3.368 -0.981 -12.092 570 HA THR 74 HA THR 74 5.984 -2.171 -11.164 571 HB THR 74 HB THR 74 3.573 -2.586 -9.357 572 HG1 THR 74 HG1 THR 74 4.823 -0.123 -9.020 573 1HG2 THR 74 2HG2 THR 74 6.361 -1.403 -8.874 574 2HG2 THR 74 1HG2 THR 74 5.219 -1.964 -7.655 575 3HG2 THR 74 3HG2 THR 74 6.001 -3.114 -8.724 576 H THR 75 H THR 75 4.956 -3.058 -13.422 577 HA THR 75 HA THR 75 3.058 -5.202 -13.444 578 HB THR 75 HB THR 75 4.584 -3.998 -15.421 579 HG1 THR 75 HG1 THR 75 3.284 -6.492 -15.278 580 1HG2 THR 75 1HG2 THR 75 6.681 -5.342 -14.780 581 2HG2 THR 75 3HG2 THR 75 5.765 -6.794 -15.152 582 3HG2 THR 75 2HG2 THR 75 6.085 -5.624 -16.412 583 H PHE 76 H PHE 76 3.064 -7.385 -12.787 584 HA PHE 76 HA PHE 76 5.484 -8.160 -11.245 585 1HB PHE 76 2HB PHE 76 2.633 -9.143 -11.346 586 2HB PHE 76 1HB PHE 76 3.834 -10.144 -10.592 587 HD1 PHE 76 HD2 PHE 76 4.373 -6.540 -10.192 588 HD2 PHE 76 HD1 PHE 76 2.359 -9.929 -8.624 589 HE1 PHE 76 HE2 PHE 76 4.020 -5.348 -8.102 590 HE2 PHE 76 HE1 PHE 76 2.000 -8.751 -6.511 591 HZ PHE 76 HZ PHE 76 2.835 -6.434 -6.239 592 HA PRO 77 HA PRO 77 6.663 -11.414 -14.008 593 1HB PRO 77 2HB PRO 77 8.709 -12.412 -12.624 594 2HB PRO 77 1HB PRO 77 8.634 -10.660 -12.873 595 1HG PRO 77 2HG PRO 77 7.762 -12.292 -10.435 596 2HG PRO 77 1HG PRO 77 8.728 -10.828 -10.445 597 1HD PRO 77 2HD PRO 77 5.873 -10.953 -10.118 598 2HD PRO 77 1HD PRO 77 6.801 -9.472 -10.462 599 H ALA 78 H ALA 78 7.564 -13.920 -13.561 600 HA ALA 78 HA ALA 78 5.130 -15.482 -13.367 601 1HB ALA 78 3HB ALA 78 7.165 -16.131 -14.755 602 2HB ALA 78 2HB ALA 78 8.088 -16.309 -13.266 603 3HB ALA 78 1HB ALA 78 6.765 -17.408 -13.612 604 H ASP 79 H ASP 79 7.484 -14.459 -11.234 605 HA ASP 79 HA ASP 79 6.936 -16.152 -8.942 606 1HB ASP 79 2HB ASP 79 8.555 -13.563 -8.884 607 2HB ASP 79 1HB ASP 79 8.927 -15.092 -8.141 608 H ALA 80 H ALA 80 4.673 -14.993 -9.866 609 HA ALA 80 HA ALA 80 3.825 -12.985 -7.790 610 1HB ALA 80 2HB ALA 80 3.875 -12.148 -10.118 611 2HB ALA 80 1HB ALA 80 2.819 -13.441 -10.628 612 3HB ALA 80 3HB ALA 80 2.210 -12.205 -9.542 613 HA PRO 81 HA PRO 81 1.322 -16.919 -7.137 614 1HB PRO 81 2HB PRO 81 1.848 -17.239 -4.444 615 2HB PRO 81 1HB PRO 81 2.961 -17.830 -5.688 616 1HG PRO 81 2HG PRO 81 3.018 -15.062 -4.319 617 2HG PRO 81 1HG PRO 81 4.322 -16.257 -4.309 618 1HD PRO 81 2HD PRO 81 4.366 -14.317 -6.143 619 2HD PRO 81 1HD PRO 81 4.680 -15.968 -6.727 620 H ALA 82 H ALA 82 -0.604 -17.165 -5.593 621 HA ALA 82 HA ALA 82 -2.055 -14.628 -5.606 622 1HB ALA 82 3HB ALA 82 -2.842 -17.431 -4.641 623 2HB ALA 82 2HB ALA 82 -3.964 -16.098 -4.869 624 3HB ALA 82 1HB ALA 82 -3.129 -16.775 -6.249 625 H GLY 83 H GLY 83 -3.181 -13.721 -3.813 626 1HA GLY 83 2HA GLY 83 -3.424 -13.640 -1.286 627 2HA GLY 83 1HA GLY 83 -1.745 -14.115 -1.177 628 H GLU 84 H GLU 84 -1.988 -12.485 0.312 629 HA GLU 84 HA GLU 84 -2.209 -9.723 -0.089 630 1HB GLU 84 2HB GLU 84 -1.444 -11.629 2.079 631 2HB GLU 84 1HB GLU 84 -1.078 -9.949 2.339 632 1HG GLU 84 2HG GLU 84 -3.872 -10.687 1.317 633 2HG GLU 84 1HG GLU 84 -3.501 -10.757 3.031 634 H TYR 85 H TYR 85 -0.855 -8.684 -1.526 635 HA TYR 85 HA TYR 85 2.032 -8.423 -0.724 636 1HB TYR 85 2HB TYR 85 0.712 -7.457 -3.265 637 2HB TYR 85 1HB TYR 85 2.399 -7.296 -2.899 638 HD1 TYR 85 HD1 TYR 85 -0.127 -10.062 -3.184 639 HD2 TYR 85 HD2 TYR 85 3.834 -8.702 -3.960 640 HE1 TYR 85 HE1 TYR 85 0.369 -12.142 -4.425 641 HE2 TYR 85 HE2 TYR 85 4.289 -10.804 -5.193 642 HH TYR 85 HH TYR 85 1.767 -13.130 -5.695 643 H THR 86 H THR 86 2.483 -6.532 0.398 644 HA THR 86 HA THR 86 0.701 -4.147 -0.164 645 HB THR 86 HB THR 86 1.445 -5.345 2.486 646 HG1 THR 86 HG1 THR 86 -0.402 -3.597 1.272 647 1HG2 THR 86 3HG2 THR 86 0.922 -2.332 2.140 648 2HG2 THR 86 2HG2 THR 86 1.092 -3.227 3.645 649 3HG2 THR 86 1HG2 THR 86 2.487 -2.978 2.620 650 H PHE 87 H PHE 87 1.318 -2.276 -0.463 651 HA PHE 87 HA PHE 87 4.172 -1.629 -0.567 652 1HB PHE 87 2HB PHE 87 3.150 0.094 -2.382 653 2HB PHE 87 1HB PHE 87 3.832 -1.482 -2.715 654 HD1 PHE 87 HD1 PHE 87 2.184 -3.476 -2.491 655 HD2 PHE 87 HD2 PHE 87 0.982 0.535 -3.148 656 HE1 PHE 87 HE1 PHE 87 0.082 -4.279 -3.342 657 HE2 PHE 87 HE2 PHE 87 -1.148 -0.248 -4.035 658 HZ PHE 87 HZ PHE 87 -1.641 -2.670 -4.154 659 H TYR 88 H TYR 88 4.691 -0.105 1.061 660 HA TYR 88 HA TYR 88 2.837 2.137 1.603 661 1HB TYR 88 2HB TYR 88 3.969 2.145 3.879 662 2HB TYR 88 1HB TYR 88 2.854 0.848 3.484 663 HD1 TYR 88 HD1 TYR 88 6.515 1.678 3.555 664 HD2 TYR 88 HD2 TYR 88 3.554 -1.350 3.444 665 HE1 TYR 88 HE1 TYR 88 8.236 -0.023 3.907 666 HE2 TYR 88 HE2 TYR 88 5.268 -3.039 3.793 667 HH TYR 88 HH TYR 88 7.257 -3.277 4.624 668 H CYS 89 H CYS 89 3.754 4.373 1.515 669 HA CYS 89 HA CYS 89 6.685 4.480 0.744 670 1HB CYS 89 2HB CYS 89 5.418 7.143 0.969 671 2HB CYS 89 1HB CYS 89 6.299 6.434 -0.327 672 H GLU 90 H GLU 90 7.879 6.442 1.852 673 HA GLU 90 HA GLU 90 7.286 6.356 4.803 674 1HB GLU 90 2HB GLU 90 9.241 5.167 4.482 675 2HB GLU 90 1HB GLU 90 9.810 6.064 3.136 676 1HG GLU 90 2HG GLU 90 9.985 8.024 5.168 677 2HG GLU 90 1HG GLU 90 10.094 6.559 6.112 678 HA PRO 91 HA PRO 91 8.037 11.144 3.402 679 1HB PRO 91 2HB PRO 91 8.093 10.777 0.549 680 2HB PRO 91 1HB PRO 91 9.344 11.497 1.571 681 1HG PRO 91 2HG PRO 91 9.065 8.581 0.707 682 2HG PRO 91 1HG PRO 91 10.540 9.551 0.791 683 1HD PRO 91 2HD PRO 91 10.144 7.878 2.732 684 2HD PRO 91 1HD PRO 91 10.515 9.511 3.244 685 H HIS 92 HN HIP 92 6.121 10.771 4.301 686 HA HIS 92 HA HIP 92 3.764 11.718 3.763 687 1HB HIS 92 2HB HIP 92 2.296 10.473 2.295 688 2HB HIS 92 1HB HIP 92 3.755 10.563 1.362 689 HD2 HIS 92 HD2 HIP 92 4.725 8.165 3.838 690 HE1 HIS 92 HE1 HIP 92 2.416 5.824 1.306 691 HE2 HIS 92 HE2 HIP 92 4.015 5.827 3.191 692 H ARG 93 H ARG 93 5.186 9.262 5.390 693 HA ARG 93 HA ARG 93 3.102 7.673 6.423 694 1HB ARG 93 2HB ARG 93 5.563 7.259 6.394 695 2HB ARG 93 1HB ARG 93 5.753 8.438 7.667 696 1HG ARG 93 2HG ARG 93 3.754 6.755 8.752 697 2HG ARG 93 1HG ARG 93 4.649 5.652 7.750 698 1HD ARG 93 2HD ARG 93 6.565 5.755 9.002 699 2HD ARG 93 1HD ARG 93 6.327 7.441 9.466 700 HE ARG 93 HE ARG 93 4.626 5.175 10.580 701 1HH1 ARG 93 2HH1 ARG 93 4.100 8.150 10.646 702 2HH1 ARG 93 1HH1 ARG 93 4.399 8.478 12.307 703 1HH2 ARG 93 1HH2 ARG 93 6.012 5.415 12.567 704 2HH2 ARG 93 2HH2 ARG 93 5.566 6.816 13.485 705 H GLY 94 H GLY 94 1.778 9.823 6.724 706 1HA GLY 94 2HA GLY 94 1.308 10.233 9.674 707 2HA GLY 94 1HA GLY 94 1.204 11.593 8.558 708 H ALA 95 H ALA 95 0.007 10.412 6.474 709 HA ALA 95 HA ALA 95 -2.760 9.829 7.461 710 1HB ALA 95 1HB ALA 95 -1.704 11.179 4.967 711 2HB ALA 95 3HB ALA 95 -3.411 10.975 5.310 712 3HB ALA 95 2HB ALA 95 -2.415 12.005 6.339 713 H GLY 96 H GLY 96 -1.859 7.681 7.586 714 1HA GLY 96 2HA GLY 96 -1.184 5.502 6.630 715 2HA GLY 96 1HA GLY 96 -2.917 5.560 6.603 716 H MET 97 H MET 97 -0.583 6.874 4.324 717 HA MET 97 HA MET 97 -2.137 5.782 2.085 718 1HB MET 97 2HB MET 97 -0.902 7.946 1.996 719 2HB MET 97 1HB MET 97 0.589 7.094 2.094 720 1HG MET 97 2HG MET 97 -0.209 5.759 -0.044 721 2HG MET 97 1HG MET 97 -1.503 6.905 -0.127 722 1HE MET 97 3HE MET 97 -1.583 8.798 -1.367 723 2HE MET 97 2HE MET 97 -0.702 9.725 -0.140 724 3HE MET 97 1HE MET 97 -0.267 9.850 -1.847 725 H VAL 98 H VAL 98 -1.978 3.610 2.911 726 HA VAL 98 HA VAL 98 0.436 2.077 1.944 727 HB VAL 98 HB VAL 98 -1.675 1.282 3.962 728 1HG1 VAL 98 1HG1 VAL 98 0.927 -0.093 3.115 729 2HG1 VAL 98 3HG1 VAL 98 -0.122 -0.614 4.423 730 3HG1 VAL 98 2HG1 VAL 98 -0.694 -0.667 2.769 731 1HG2 VAL 98 2HG2 VAL 98 1.250 2.109 4.334 732 2HG2 VAL 98 1HG2 VAL 98 -0.150 3.048 4.812 733 3HG2 VAL 98 3HG2 VAL 98 0.189 1.523 5.605 734 H GLY 99 H GLY 99 0.128 0.581 0.301 735 1HA GLY 99 2HA GLY 99 -2.688 0.152 -0.689 736 2HA GLY 99 1HA GLY 99 -1.279 0.159 -1.718 737 H LYS 100 H LYS 100 -3.301 -1.792 -1.551 738 HA LYS 100 HA LYS 100 -1.678 -4.185 -0.855 739 1HB LYS 100 2HB LYS 100 -4.633 -3.844 -0.277 740 2HB LYS 100 1HB LYS 100 -3.665 -5.254 0.099 741 1HG LYS 100 2HG LYS 100 -2.183 -3.440 1.472 742 2HG LYS 100 1HG LYS 100 -3.576 -2.449 1.287 743 1HD LYS 100 2HD LYS 100 -3.465 -3.763 3.484 744 2HD LYS 100 1HD LYS 100 -4.973 -3.830 2.608 745 1HE LYS 100 2HE LYS 100 -4.184 -6.044 3.553 746 2HE LYS 100 1HE LYS 100 -4.550 -6.070 1.850 747 1HZ LYS 100 1HZ LYS 100 -1.743 -5.387 2.148 748 2HZ LYS 100 3HZ LYS 100 -2.195 -6.760 3.077 749 3HZ LYS 100 2HZ LYS 100 -2.539 -6.767 1.501 750 H ILE 101 H ILE 101 -1.471 -5.579 -2.301 751 HA ILE 101 HA ILE 101 -3.308 -5.878 -4.636 752 HB ILE 101 HB ILE 101 -0.320 -5.883 -4.384 753 1HG1 ILE 101 2HG1 ILE 101 -2.232 -5.798 -6.755 754 2HG1 ILE 101 1HG1 ILE 101 -1.476 -4.424 -5.989 755 1HG2 ILE 101 3HG2 ILE 101 -1.554 -8.197 -5.916 756 2HG2 ILE 101 2HG2 ILE 101 0.144 -7.771 -5.946 757 3HG2 ILE 101 1HG2 ILE 101 -0.583 -8.370 -4.497 758 1HD1 ILE 101 1HD1 ILE 101 0.080 -6.614 -7.544 759 2HD1 ILE 101 3HD1 ILE 101 -0.278 -5.045 -8.159 760 3HD1 ILE 101 2HD1 ILE 101 0.810 -5.236 -6.803 761 H THR 102 H THR 102 -4.567 -7.618 -4.433 762 HA THR 102 HA THR 102 -3.769 -9.973 -2.752 763 HB THR 102 HB THR 102 -6.477 -10.323 -2.973 764 HG1 THR 102 HG1 THR 102 -7.344 -8.482 -3.662 765 1HG2 THR 102 1HG2 THR 102 -5.197 -8.153 -1.260 766 2HG2 THR 102 3HG2 THR 102 -6.677 -9.020 -0.894 767 3HG2 THR 102 2HG2 THR 102 -5.132 -9.847 -0.834 768 H VAL 103 H VAL 103 -2.533 -10.667 -4.685 769 HA VAL 103 HA VAL 103 -3.650 -11.170 -7.221 770 HB VAL 103 HB VAL 103 -1.367 -12.481 -5.713 771 1HG1 VAL 103 1HG1 VAL 103 -2.276 -14.124 -7.533 772 2HG1 VAL 103 3HG1 VAL 103 -2.120 -12.812 -8.667 773 3HG1 VAL 103 2HG1 VAL 103 -0.694 -13.485 -7.896 774 1HG2 VAL 103 3HG2 VAL 103 -1.036 -10.196 -6.433 775 2HG2 VAL 103 2HG2 VAL 103 0.015 -11.316 -7.273 776 3HG2 VAL 103 1HG2 VAL 103 -1.395 -10.684 -8.090 777 H ALA 104 H ALA 104 -4.780 -12.537 -8.193 778 HA ALA 104 HA ALA 104 -5.698 -15.085 -6.921 779 1HB ALA 104 3HB ALA 104 -7.321 -12.990 -8.446 780 2HB ALA 104 2HB ALA 104 -7.986 -14.507 -7.848 781 3HB ALA 104 1HB ALA 104 -7.381 -13.300 -6.720 782 H GLY 105 HN GLY 105 -6.557 -13.921 -10.135 783 1HA GLY 105 2HA GLY 105 -4.990 -15.998 -11.578 784 2HA GLY 105 1HA GLY 105 -6.741 -16.047 -11.735 No H/Q in entry = 784 Start of MODEL 14 1 1H GLU 1 3H GLU 1 -4.112 -6.003 -14.982 2 2H GLU 1 2H GLU 1 -5.205 -6.431 -16.182 3 3H GLU 1 1H GLU 1 -3.778 -7.265 -16.082 4 HA GLU 1 HA GLU 1 -2.672 -5.882 -17.355 5 1HB GLU 1 2HB GLU 1 -5.430 -4.532 -17.640 6 2HB GLU 1 1HB GLU 1 -4.088 -4.246 -18.704 7 1HG GLU 1 2HG GLU 1 -5.781 -5.934 -19.613 8 2HG GLU 1 1HG GLU 1 -4.152 -6.548 -19.585 9 H THR 2 H THR 2 -2.401 -3.362 -17.844 10 HA THR 2 HA THR 2 -1.251 -2.020 -15.625 11 HB THR 2 HB THR 2 -1.137 -0.086 -17.437 12 HG1 THR 2 HG1 THR 2 -2.657 -0.590 -18.810 13 1HG2 THR 2 1HG2 THR 2 -0.342 -2.829 -18.553 14 2HG2 THR 2 3HG2 THR 2 0.304 -1.265 -18.980 15 3HG2 THR 2 2HG2 THR 2 0.690 -1.951 -17.417 16 H TYR 3 H TYR 3 -3.345 -2.200 -14.364 17 HA TYR 3 HA TYR 3 -5.237 0.048 -14.963 18 1HB TYR 3 2HB TYR 3 -5.301 -1.599 -12.375 19 2HB TYR 3 1HB TYR 3 -6.631 -0.822 -13.182 20 HD1 TYR 3 HD1 TYR 3 -6.909 -1.767 -15.797 21 HD2 TYR 3 HD2 TYR 3 -5.360 -3.891 -12.456 22 HE1 TYR 3 HE1 TYR 3 -7.500 -3.923 -16.867 23 HE2 TYR 3 HE2 TYR 3 -5.965 -6.012 -13.545 24 HH TYR 3 HH TYR 3 -7.376 -6.242 -16.720 25 H THR 4 H THR 4 -5.762 1.506 -12.946 26 HA THR 4 HA THR 4 -3.145 2.518 -11.819 27 HB THR 4 HB THR 4 -3.813 4.198 -13.228 28 HG1 THR 4 HG1 THR 4 -3.424 5.114 -11.437 29 1HG2 THR 4 3HG2 THR 4 -6.612 3.978 -11.994 30 2HG2 THR 4 2HG2 THR 4 -6.110 5.169 -13.191 31 3HG2 THR 4 1HG2 THR 4 -6.198 3.470 -13.622 32 H VAL 5 H VAL 5 -2.808 2.409 -9.742 33 HA VAL 5 HA VAL 5 -5.152 2.520 -7.835 34 HB VAL 5 HB VAL 5 -2.435 1.258 -7.329 35 1HG1 VAL 5 1HG1 VAL 5 -5.128 1.014 -5.866 36 2HG1 VAL 5 3HG1 VAL 5 -3.663 0.142 -5.446 37 3HG1 VAL 5 2HG1 VAL 5 -3.739 1.875 -5.239 38 1HG2 VAL 5 2HG2 VAL 5 -3.756 0.095 -9.127 39 2HG2 VAL 5 1HG2 VAL 5 -3.645 -0.868 -7.664 40 3HG2 VAL 5 3HG2 VAL 5 -5.129 -0.008 -8.044 41 H LYS 6 H LYS 6 -3.652 4.662 -9.054 42 HA LYS 6 HA LYS 6 -1.747 6.162 -7.955 43 1HB LYS 6 2HB LYS 6 -2.867 8.081 -8.789 44 2HB LYS 6 1HB LYS 6 -3.308 6.702 -9.781 45 1HG LYS 6 2HG LYS 6 -5.287 6.858 -7.694 46 2HG LYS 6 1HG LYS 6 -5.055 8.496 -8.259 47 1HD LYS 6 2HD LYS 6 -6.549 7.902 -9.928 48 2HD LYS 6 1HD LYS 6 -5.160 7.178 -10.702 49 1HE LYS 6 2HE LYS 6 -6.847 5.490 -10.671 50 2HE LYS 6 1HE LYS 6 -5.719 5.030 -9.398 51 1HZ LYS 6 2HZ LYS 6 -7.583 6.911 -8.344 52 2HZ LYS 6 1HZ LYS 6 -8.475 5.712 -9.004 53 3HZ LYS 6 3HZ LYS 6 -7.385 5.304 -7.900 54 H LEU 7 H LEU 7 -1.366 7.909 -6.547 55 HA LEU 7 HA LEU 7 -2.868 7.681 -3.985 56 1HB LEU 7 2HB LEU 7 -0.684 8.717 -3.089 57 2HB LEU 7 1HB LEU 7 -0.670 7.046 -3.589 58 HG LEU 7 HG LEU 7 1.331 8.379 -4.137 59 1HD1 LEU 7 1HD1 LEU 7 0.966 6.240 -5.234 60 2HD1 LEU 7 3HD1 LEU 7 0.040 6.979 -6.510 61 3HD1 LEU 7 2HD1 LEU 7 1.715 7.377 -6.337 62 1HD2 LEU 7 1HD2 LEU 7 0.304 10.419 -4.828 63 2HD2 LEU 7 3HD2 LEU 7 1.458 9.727 -5.942 64 3HD2 LEU 7 2HD2 LEU 7 -0.277 9.623 -6.278 65 H GLY 8 H GLY 8 -4.059 9.169 -3.426 66 1HA GLY 8 2HA GLY 8 -5.012 11.407 -3.076 67 2HA GLY 8 1HA GLY 8 -3.585 12.079 -3.917 68 H SER 9 H SER 9 -6.205 9.846 -4.509 69 HA SER 9 HA SER 9 -6.348 10.584 -7.399 70 1HB SER 9 2HB SER 9 -6.612 8.233 -6.302 71 2HB SER 9 1HB SER 9 -8.287 8.731 -6.004 72 HG SER 9 HG SER 9 -8.679 8.549 -8.003 73 H ASP 10 H ASP 10 -6.918 12.525 -5.482 74 HA ASP 10 HA ASP 10 -9.573 13.436 -6.368 75 1HB ASP 10 2HB ASP 10 -10.045 13.975 -3.908 76 2HB ASP 10 1HB ASP 10 -9.576 12.294 -4.066 77 H LYS 11 H LYS 11 -8.764 15.483 -4.197 78 HA LYS 11 HA LYS 11 -7.602 17.496 -6.067 79 1HB LYS 11 2HB LYS 11 -9.669 18.208 -4.906 80 2HB LYS 11 1HB LYS 11 -9.046 17.645 -3.377 81 1HG LYS 11 2HG LYS 11 -8.874 20.119 -3.428 82 2HG LYS 11 1HG LYS 11 -7.307 19.379 -3.310 83 1HD LYS 11 2HD LYS 11 -6.952 21.057 -4.993 84 2HD LYS 11 1HD LYS 11 -7.077 19.577 -5.881 85 1HE LYS 11 2HE LYS 11 -8.396 21.200 -7.061 86 2HE LYS 11 1HE LYS 11 -9.516 20.063 -6.312 87 1HZ LYS 11 2HZ LYS 11 -8.848 22.030 -4.402 88 2HZ LYS 11 1HZ LYS 11 -9.291 22.866 -5.802 89 3HZ LYS 11 3HZ LYS 11 -10.372 21.773 -5.085 90 H GLY 12 H GLY 12 -7.005 15.863 -3.112 91 1HA GLY 12 2HA GLY 12 -4.237 15.738 -3.159 92 2HA GLY 12 1HA GLY 12 -4.560 17.239 -2.324 93 H LEU 13 H LEU 13 -6.118 14.016 -2.020 94 HA LEU 13 HA LEU 13 -5.548 14.183 0.919 95 1HB LEU 13 2HB LEU 13 -7.873 13.844 -0.174 96 2HB LEU 13 1HB LEU 13 -7.355 12.246 -0.601 97 HG LEU 13 HG LEU 13 -7.354 13.256 2.301 98 1HD1 LEU 13 1HD1 LEU 13 -9.462 11.689 0.741 99 2HD1 LEU 13 3HD1 LEU 13 -9.548 12.053 2.458 100 3HD1 LEU 13 2HD1 LEU 13 -9.629 13.346 1.273 101 1HD2 LEU 13 2HD2 LEU 13 -7.501 10.450 1.095 102 2HD2 LEU 13 1HD2 LEU 13 -6.045 11.096 1.813 103 3HD2 LEU 13 3HD2 LEU 13 -7.448 10.815 2.806 104 H LEU 14 H LEU 14 -4.339 12.542 1.963 105 HA LEU 14 HA LEU 14 -2.444 11.113 0.241 106 1HB LEU 14 2HB LEU 14 -2.766 11.214 3.265 107 2HB LEU 14 1HB LEU 14 -1.424 10.448 2.469 108 HG LEU 14 HG LEU 14 -2.112 13.414 2.109 109 1HD1 LEU 14 3HD1 LEU 14 0.044 12.021 3.771 110 2HD1 LEU 14 2HD1 LEU 14 -0.143 13.754 3.580 111 3HD1 LEU 14 1HD1 LEU 14 -1.368 12.830 4.429 112 1HD2 LEU 14 1HD2 LEU 14 0.369 11.770 1.383 113 2HD2 LEU 14 3HD2 LEU 14 -0.804 12.385 0.225 114 3HD2 LEU 14 2HD2 LEU 14 0.177 13.493 1.149 115 H VAL 15 H VAL 15 -4.783 9.932 -0.371 116 HA VAL 15 HA VAL 15 -4.590 7.199 0.906 117 HB VAL 15 HB VAL 15 -6.713 8.352 1.232 118 1HG1 VAL 15 2HG1 VAL 15 -6.796 9.673 -0.912 119 2HG1 VAL 15 1HG1 VAL 15 -6.996 8.190 -1.821 120 3HG1 VAL 15 3HG1 VAL 15 -8.243 8.714 -0.711 121 1HG2 VAL 15 3HG2 VAL 15 -6.730 5.853 1.084 122 2HG2 VAL 15 2HG2 VAL 15 -8.205 6.538 0.442 123 3HG2 VAL 15 1HG2 VAL 15 -6.981 5.946 -0.655 124 H PHE 16 H PHE 16 -4.703 5.334 -0.381 125 HA PHE 16 HA PHE 16 -3.743 5.603 -3.223 126 1HB PHE 16 2HB PHE 16 -3.897 3.175 -1.345 127 2HB PHE 16 1HB PHE 16 -3.396 3.077 -3.017 128 HD1 PHE 16 HD1 PHE 16 -1.813 5.974 -2.275 129 HD2 PHE 16 HD2 PHE 16 -1.789 1.922 -1.097 130 HE1 PHE 16 HE1 PHE 16 0.553 6.186 -1.613 131 HE2 PHE 16 HE2 PHE 16 0.578 2.108 -0.410 132 HZ PHE 16 HZ PHE 16 1.745 4.238 -0.678 133 H GLU 17 H GLU 17 -5.312 5.551 -4.685 134 HA GLU 17 HA GLU 17 -7.873 4.112 -4.017 135 1HB GLU 17 2HB GLU 17 -7.972 6.529 -4.110 136 2HB GLU 17 1HB GLU 17 -7.409 6.464 -5.767 137 1HG GLU 17 2HG GLU 17 -9.849 4.767 -5.204 138 2HG GLU 17 1HG GLU 17 -10.101 6.495 -5.158 139 HA PRO 18 HA PRO 18 -8.828 2.471 -4.217 140 1HB PRO 18 2HB PRO 18 -10.009 0.342 -5.086 141 2HB PRO 18 1HB PRO 18 -10.320 1.900 -5.882 142 1HG PRO 18 2HG PRO 18 -8.333 -0.280 -6.753 143 2HG PRO 18 1HG PRO 18 -9.592 0.478 -7.733 144 1HD PRO 18 2HD PRO 18 -6.929 1.406 -7.666 145 2HD PRO 18 1HD PRO 18 -8.312 2.431 -8.091 146 H ALA 19 H ALA 19 -6.601 2.220 -3.220 147 HA ALA 19 HA ALA 19 -4.699 0.720 -2.650 148 1HB ALA 19 3HB ALA 19 -5.728 2.077 -0.920 149 2HB ALA 19 2HB ALA 19 -6.975 0.885 -0.650 150 3HB ALA 19 1HB ALA 19 -5.310 0.527 -0.222 151 H LYS 20 H LYS 20 -7.634 -1.098 -2.384 152 HA LYS 20 HA LYS 20 -6.230 -3.632 -1.711 153 1HB LYS 20 2HB LYS 20 -8.591 -4.542 -1.585 154 2HB LYS 20 1HB LYS 20 -8.395 -3.074 -0.600 155 1HG LYS 20 2HG LYS 20 -9.474 -1.684 -2.377 156 2HG LYS 20 1HG LYS 20 -9.343 -2.958 -3.536 157 1HD LYS 20 2HD LYS 20 -11.626 -2.886 -3.035 158 2HD LYS 20 1HD LYS 20 -11.054 -4.315 -2.236 159 1HE LYS 20 2HE LYS 20 -11.483 -1.624 -0.868 160 2HE LYS 20 1HE LYS 20 -12.681 -2.915 -0.896 161 1HZ LYS 20 2HZ LYS 20 -10.197 -4.023 -0.225 162 2HZ LYS 20 1HZ LYS 20 -10.427 -2.692 0.813 163 3HZ LYS 20 3HZ LYS 20 -11.573 -3.947 0.772 164 H LEU 21 H LEU 21 -5.351 -2.811 -4.100 165 HA LEU 21 HA LEU 21 -6.706 -3.623 -6.429 166 1HB LEU 21 2HB LEU 21 -4.544 -2.283 -6.202 167 2HB LEU 21 1HB LEU 21 -3.699 -3.769 -5.864 168 HG LEU 21 HG LEU 21 -3.608 -2.792 -8.326 169 1HD1 LEU 21 3HD1 LEU 21 -2.767 -5.057 -7.713 170 2HD1 LEU 21 2HD1 LEU 21 -4.375 -5.701 -7.963 171 3HD1 LEU 21 1HD1 LEU 21 -3.496 -4.984 -9.285 172 1HD2 LEU 21 1HD2 LEU 21 -6.129 -2.570 -8.575 173 2HD2 LEU 21 3HD2 LEU 21 -5.419 -3.620 -9.783 174 3HD2 LEU 21 2HD2 LEU 21 -6.263 -4.315 -8.428 175 H THR 22 H THR 22 -7.821 -5.429 -6.341 176 HA THR 22 HA THR 22 -6.429 -8.042 -5.885 177 HB THR 22 HB THR 22 -9.449 -7.540 -6.151 178 HG1 THR 22 HG1 THR 22 -8.191 -6.590 -4.347 179 1HG2 THR 22 3HG2 THR 22 -8.541 -9.975 -6.442 180 2HG2 THR 22 2HG2 THR 22 -7.799 -9.789 -4.864 181 3HG2 THR 22 1HG2 THR 22 -9.540 -9.726 -5.020 182 H ILE 23 H ILE 23 -5.304 -7.871 -7.805 183 HA ILE 23 HA ILE 23 -6.752 -8.294 -10.325 184 HB ILE 23 HB ILE 23 -4.489 -8.005 -11.352 185 1HG1 ILE 23 2HG1 ILE 23 -2.766 -6.726 -9.983 186 2HG1 ILE 23 1HG1 ILE 23 -3.540 -7.459 -8.587 187 1HG2 ILE 23 3HG2 ILE 23 -5.630 -5.752 -9.781 188 2HG2 ILE 23 2HG2 ILE 23 -4.472 -5.561 -11.101 189 3HG2 ILE 23 1HG2 ILE 23 -6.066 -6.239 -11.403 190 1HD1 ILE 23 1HD1 ILE 23 -2.327 -8.988 -10.933 191 2HD1 ILE 23 3HD1 ILE 23 -1.573 -8.764 -9.379 192 3HD1 ILE 23 2HD1 ILE 23 -3.023 -9.735 -9.512 193 H LYS 24 H LYS 24 -5.324 -9.635 -11.976 194 HA LYS 24 HA LYS 24 -4.900 -12.181 -10.541 195 1HB LYS 24 2HB LYS 24 -5.671 -13.274 -12.673 196 2HB LYS 24 1HB LYS 24 -6.771 -11.989 -12.257 197 1HG LYS 24 2HG LYS 24 -4.916 -10.610 -13.801 198 2HG LYS 24 1HG LYS 24 -4.842 -12.173 -14.554 199 1HD LYS 24 2HD LYS 24 -7.413 -12.160 -14.699 200 2HD LYS 24 1HD LYS 24 -7.365 -10.526 -14.066 201 1HE LYS 24 2HE LYS 24 -5.959 -11.274 -16.660 202 2HE LYS 24 1HE LYS 24 -7.608 -10.646 -16.625 203 1HZ LYS 24 3HZ LYS 24 -5.945 -9.082 -14.933 204 2HZ LYS 24 2HZ LYS 24 -5.188 -9.230 -16.370 205 3HZ LYS 24 1HZ LYS 24 -6.687 -8.537 -16.359 206 HA PRO 25 HA PRO 25 -0.689 -12.457 -10.821 207 1HB PRO 25 2HB PRO 25 -0.149 -14.780 -12.348 208 2HB PRO 25 1HB PRO 25 -0.531 -14.749 -10.625 209 1HG PRO 25 2HG PRO 25 -2.475 -15.083 -12.969 210 2HG PRO 25 1HG PRO 25 -2.355 -16.079 -11.510 211 1HD PRO 25 2HD PRO 25 -4.235 -14.238 -11.514 212 2HD PRO 25 1HD PRO 25 -3.164 -14.258 -10.103 213 H GLY 26 H GLY 26 -0.289 -10.496 -11.945 214 1HA GLY 26 2HA GLY 26 1.617 -10.154 -13.811 215 2HA GLY 26 1HA GLY 26 0.394 -10.782 -14.876 216 H ASP 27 H ASP 27 -1.776 -9.296 -13.604 217 HA ASP 27 HA ASP 27 -2.018 -7.150 -15.256 218 1HB ASP 27 2HB ASP 27 -2.885 -7.627 -12.407 219 2HB ASP 27 1HB ASP 27 -3.576 -6.266 -13.227 220 H THR 28 H THR 28 -0.318 -6.099 -15.718 221 HA THR 28 HA THR 28 1.661 -4.789 -14.295 222 HB THR 28 HB THR 28 0.568 -4.011 -16.992 223 HG1 THR 28 HG1 THR 28 1.538 -6.410 -15.958 224 1HG2 THR 28 2HG2 THR 28 3.411 -4.418 -15.917 225 2HG2 THR 28 1HG2 THR 28 2.993 -3.878 -17.530 226 3HG2 THR 28 3HG2 THR 28 2.733 -2.825 -16.153 227 H VAL 29 H VAL 29 -0.492 -3.863 -13.085 228 HA VAL 29 HA VAL 29 -1.390 -1.237 -13.360 229 HB VAL 29 HB VAL 29 -0.813 -2.957 -10.904 230 1HG1 VAL 29 2HG1 VAL 29 -1.024 -0.575 -10.150 231 2HG1 VAL 29 1HG1 VAL 29 -2.556 -0.434 -10.983 232 3HG1 VAL 29 3HG1 VAL 29 -2.389 -1.528 -9.622 233 1HG2 VAL 29 2HG2 VAL 29 -3.403 -2.308 -12.365 234 2HG2 VAL 29 1HG2 VAL 29 -2.556 -3.844 -12.455 235 3HG2 VAL 29 3HG2 VAL 29 -3.290 -3.338 -10.948 236 H GLU 30 H GLU 30 -1.053 0.633 -12.571 237 HA GLU 30 HA GLU 30 1.690 1.413 -11.855 238 1HB GLU 30 2HB GLU 30 1.459 3.301 -13.230 239 2HB GLU 30 1HB GLU 30 0.825 1.931 -14.100 240 1HG GLU 30 2HG GLU 30 -0.849 3.602 -14.503 241 2HG GLU 30 1HG GLU 30 -1.535 2.653 -13.205 242 H PHE 31 H PHE 31 1.937 3.341 -10.617 243 HA PHE 31 HA PHE 31 -0.185 3.917 -8.548 244 1HB PHE 31 2HB PHE 31 2.751 4.247 -8.098 245 2HB PHE 31 1HB PHE 31 1.464 4.190 -6.914 246 HD1 PHE 31 HD1 PHE 31 -0.003 1.714 -8.152 247 HD2 PHE 31 HD2 PHE 31 4.058 2.540 -7.213 248 HE1 PHE 31 HE1 PHE 31 0.429 -0.688 -7.878 249 HE2 PHE 31 HE2 PHE 31 4.490 0.139 -6.936 250 HZ PHE 31 HZ PHE 31 2.682 -1.471 -7.267 251 H LEU 32 H LEU 32 -0.732 5.672 -10.492 252 HA LEU 32 HA LEU 32 0.966 7.788 -11.127 253 1HB LEU 32 2HB LEU 32 -1.373 7.286 -12.096 254 2HB LEU 32 1HB LEU 32 -2.058 7.975 -10.653 255 HG LEU 32 HG LEU 32 -0.783 10.153 -11.218 256 1HD1 LEU 32 2HD1 LEU 32 0.741 9.013 -12.894 257 2HD1 LEU 32 1HD1 LEU 32 -0.656 8.644 -13.865 258 3HD1 LEU 32 3HD1 LEU 32 -0.169 10.316 -13.634 259 1HD2 LEU 32 1HD2 LEU 32 -3.245 9.780 -11.575 260 2HD2 LEU 32 3HD2 LEU 32 -2.554 10.773 -12.846 261 3HD2 LEU 32 2HD2 LEU 32 -2.894 9.076 -13.142 262 H ASN 33 H ASN 33 1.653 9.528 -10.481 263 HA ASN 33 HA ASN 33 1.353 10.370 -7.654 264 1HB ASN 33 2HB ASN 33 3.617 9.845 -8.540 265 2HB ASN 33 1HB ASN 33 3.426 11.015 -9.825 266 1HD2 ASN 33 2HD2 ASN 33 4.644 13.525 -7.786 267 2HD2 ASN 33 1HD2 ASN 33 4.421 12.927 -9.369 268 H ASN 34 H ASN 34 -0.606 11.363 -7.730 269 HA ASN 34 HA ASN 34 -0.993 13.692 -9.557 270 1HB ASN 34 2HB ASN 34 -2.828 12.055 -9.412 271 2HB ASN 34 1HB ASN 34 -2.941 12.254 -7.675 272 1HD2 ASN 34 2HD2 ASN 34 -5.534 14.565 -8.259 273 2HD2 ASN 34 1HD2 ASN 34 -4.978 13.194 -7.466 274 H LYS 35 H LYS 35 -1.173 13.354 -6.002 275 HA LYS 35 HA LYS 35 -0.594 16.302 -5.881 276 1HB LYS 35 2HB LYS 35 -2.771 14.774 -4.384 277 2HB LYS 35 1HB LYS 35 -2.410 16.463 -4.078 278 1HG LYS 35 2HG LYS 35 -3.261 15.371 -6.805 279 2HG LYS 35 1HG LYS 35 -4.363 16.037 -5.648 280 1HD LYS 35 2HD LYS 35 -3.270 18.244 -5.715 281 2HD LYS 35 1HD LYS 35 -1.946 17.653 -6.689 282 1HE LYS 35 2HE LYS 35 -4.807 17.529 -7.675 283 2HE LYS 35 1HE LYS 35 -3.828 18.980 -7.875 284 1HZ LYS 35 3HZ LYS 35 -2.258 16.723 -8.576 285 2HZ LYS 35 2HZ LYS 35 -3.677 16.541 -9.384 286 3HZ LYS 35 1HZ LYS 35 -2.754 17.932 -9.629 287 H VAL 36 H VAL 36 -0.501 16.899 -3.369 288 HA VAL 36 HA VAL 36 1.507 17.073 -1.958 289 HB VAL 36 HB VAL 36 -0.208 14.851 -0.804 290 1HG1 VAL 36 3HG1 VAL 36 1.334 17.150 0.507 291 2HG1 VAL 36 2HG1 VAL 36 0.346 15.977 1.354 292 3HG1 VAL 36 1HG1 VAL 36 1.806 15.464 0.538 293 1HG2 VAL 36 1HG2 VAL 36 -0.723 17.871 -0.759 294 2HG2 VAL 36 3HG2 VAL 36 -1.702 16.690 -1.621 295 3HG2 VAL 36 2HG2 VAL 36 -1.642 16.667 0.119 296 HA PRO 37 HA PRO 37 4.384 13.574 -3.115 297 1HB PRO 37 2HB PRO 37 6.386 15.476 -3.661 298 2HB PRO 37 1HB PRO 37 5.339 14.745 -4.882 299 1HG PRO 37 2HG PRO 37 4.861 17.347 -3.307 300 2HG PRO 37 1HG PRO 37 4.869 17.151 -5.066 301 1HD PRO 37 2HD PRO 37 2.521 17.100 -3.864 302 2HD PRO 37 1HD PRO 37 2.843 15.748 -4.974 303 HA PRO 38 HA PRO 38 6.723 13.306 -3.319 304 1HB PRO 38 2HB PRO 38 8.849 12.117 -1.774 305 2HB PRO 38 1HB PRO 38 8.946 13.456 -2.935 306 1HG PRO 38 2HG PRO 38 9.382 13.848 -0.195 307 2HG PRO 38 1HG PRO 38 8.717 15.114 -1.226 308 1HD PRO 38 2HD PRO 38 7.134 13.117 0.482 309 2HD PRO 38 1HD PRO 38 6.999 14.894 0.454 310 H HIS 39 HN HIP 39 5.601 11.571 -3.985 311 HA HIS 39 HA HIP 39 5.053 9.425 -2.049 312 1HB HIS 39 2HB HIP 39 3.984 9.863 -4.881 313 2HB HIS 39 1HB HIP 39 3.471 8.538 -3.860 314 HD2 HIS 39 HD2 HIP 39 2.584 12.028 -4.740 315 HE1 HIS 39 HE1 HIP 39 0.727 11.397 -1.084 316 HE2 HIS 39 HE2 HIP 39 0.948 12.830 -3.054 317 H ASN 40 H ASN 40 7.022 8.526 -1.878 318 HA ASN 40 HA ASN 40 7.882 6.804 -4.184 319 1HB ASN 40 2HB ASN 40 9.378 7.609 -1.650 320 2HB ASN 40 1HB ASN 40 10.044 6.865 -3.082 321 1HD2 ASN 40 2HD2 ASN 40 10.327 9.854 -4.762 322 2HD2 ASN 40 1HD2 ASN 40 10.686 8.203 -4.673 323 H VAL 41 H VAL 41 7.139 4.672 -3.931 324 HA VAL 41 HA VAL 41 6.709 3.919 -1.093 325 HB VAL 41 HB VAL 41 5.107 2.518 -1.447 326 1HG1 VAL 41 3HG1 VAL 41 4.579 4.866 -3.388 327 2HG1 VAL 41 2HG1 VAL 41 3.292 3.863 -2.760 328 3HG1 VAL 41 1HG1 VAL 41 4.204 4.884 -1.687 329 1HG2 VAL 41 2HG2 VAL 41 5.491 2.731 -4.502 330 2HG2 VAL 41 1HG2 VAL 41 5.606 1.267 -3.552 331 3HG2 VAL 41 3HG2 VAL 41 4.056 2.008 -3.825 332 H VAL 42 H VAL 42 7.941 2.387 -0.227 333 HA VAL 42 HA VAL 42 9.378 0.443 -2.007 334 HB VAL 42 HB VAL 42 10.600 -0.163 0.200 335 1HG1 VAL 42 2HG1 VAL 42 10.661 2.719 -0.737 336 2HG1 VAL 42 1HG1 VAL 42 11.934 1.965 0.190 337 3HG1 VAL 42 3HG1 VAL 42 11.588 1.416 -1.437 338 1HG2 VAL 42 2HG2 VAL 42 9.175 2.352 1.203 339 2HG2 VAL 42 1HG2 VAL 42 8.897 0.725 1.818 340 3HG2 VAL 42 3HG2 VAL 42 10.447 1.498 2.035 341 H PHE 43 H PHE 43 9.331 -1.968 -0.816 342 HA PHE 43 HA PHE 43 6.467 -2.484 -0.452 343 1HB PHE 43 2HB PHE 43 8.571 -3.822 -1.802 344 2HB PHE 43 1HB PHE 43 8.217 -4.855 -0.416 345 HD1 PHE 43 HD2 PHE 43 5.712 -5.063 0.189 346 HD2 PHE 43 HD1 PHE 43 7.119 -3.929 -3.649 347 HE1 PHE 43 HE2 PHE 43 3.618 -5.592 -0.694 348 HE2 PHE 43 HE1 PHE 43 5.001 -4.446 -4.603 349 HZ PHE 43 HZ PHE 43 3.151 -5.324 -3.178 350 H ASP 44 H ASP 44 5.404 -3.162 1.322 351 HA ASP 44 HA ASP 44 6.583 -3.021 3.914 352 1HB ASP 44 2HB ASP 44 4.012 -4.195 2.785 353 2HB ASP 44 1HB ASP 44 4.288 -4.106 4.506 354 H ALA 45 H ALA 45 8.480 -4.498 3.491 355 HA ALA 45 HA ALA 45 8.539 -7.162 2.785 356 1HB ALA 45 2HB ALA 45 10.140 -5.656 4.992 357 2HB ALA 45 1HB ALA 45 10.723 -7.126 4.235 358 3HB ALA 45 3HB ALA 45 10.572 -5.654 3.290 359 H ALA 46 H ALA 46 6.812 -6.482 5.415 360 HA ALA 46 HA ALA 46 7.108 -9.280 6.480 361 1HB ALA 46 3HB ALA 46 6.002 -6.745 7.785 362 2HB ALA 46 2HB ALA 46 6.130 -8.306 8.580 363 3HB ALA 46 1HB ALA 46 7.580 -7.455 8.083 364 H LEU 47 H LEU 47 5.003 -7.283 4.748 365 HA LEU 47 HA LEU 47 2.541 -8.863 5.295 366 1HB LEU 47 2HB LEU 47 3.147 -6.175 4.023 367 2HB LEU 47 1HB LEU 47 1.603 -6.942 3.779 368 HG LEU 47 HG LEU 47 1.172 -6.944 6.224 369 1HD1 LEU 47 3HD1 LEU 47 3.813 -5.415 6.377 370 2HD1 LEU 47 2HD1 LEU 47 2.691 -5.637 7.707 371 3HD1 LEU 47 1HD1 LEU 47 3.543 -7.015 7.058 372 1HD2 LEU 47 2HD2 LEU 47 2.075 -4.255 5.097 373 2HD2 LEU 47 1HD2 LEU 47 0.512 -4.998 4.826 374 3HD2 LEU 47 3HD2 LEU 47 0.962 -4.471 6.433 375 H ASN 48 H ASN 48 4.174 -10.471 4.128 376 HA ASN 48 HA ASN 48 3.269 -10.655 1.296 377 1HB ASN 48 2HB ASN 48 5.685 -11.882 1.104 378 2HB ASN 48 1HB ASN 48 5.617 -10.123 1.143 379 1HD2 ASN 48 2HD2 ASN 48 8.006 -10.569 3.723 380 2HD2 ASN 48 1HD2 ASN 48 7.922 -10.345 2.051 381 HA PRO 49 HA PRO 49 1.885 -14.861 2.386 382 1HB PRO 49 2HB PRO 49 2.391 -16.135 -0.044 383 2HB PRO 49 1HB PRO 49 1.000 -15.098 0.229 384 1HG PRO 49 2HG PRO 49 3.706 -14.248 -0.978 385 2HG PRO 49 1HG PRO 49 2.090 -14.023 -1.639 386 1HD PRO 49 2HD PRO 49 3.168 -11.998 -0.282 387 2HD PRO 49 1HD PRO 49 1.477 -12.418 0.073 388 H ALA 50 H ALA 50 4.634 -15.415 0.279 389 HA ALA 50 HA ALA 50 5.842 -17.286 2.218 390 1HB ALA 50 1HB ALA 50 5.856 -17.747 -0.254 391 2HB ALA 50 3HB ALA 50 6.812 -16.287 -0.504 392 3HB ALA 50 2HB ALA 50 7.499 -17.631 0.375 393 H LYS 51 H LYS 51 5.810 -15.175 3.553 394 HA LYS 51 HA LYS 51 7.070 -13.095 4.147 395 1HB LYS 51 2HB LYS 51 7.846 -15.660 5.467 396 2HB LYS 51 1HB LYS 51 8.219 -14.078 6.136 397 1HG LYS 51 2HG LYS 51 5.349 -14.621 5.322 398 2HG LYS 51 1HG LYS 51 5.952 -15.371 6.782 399 1HD LYS 51 2HD LYS 51 6.511 -13.268 7.811 400 2HD LYS 51 1HD LYS 51 6.426 -12.379 6.313 401 1HE LYS 51 2HE LYS 51 3.975 -13.781 7.420 402 2HE LYS 51 1HE LYS 51 4.445 -12.176 7.989 403 1HZ LYS 51 1HZ LYS 51 4.749 -12.156 5.211 404 2HZ LYS 51 3HZ LYS 51 3.256 -12.829 5.420 405 3HZ LYS 51 2HZ LYS 51 3.651 -11.306 6.101 406 H SER 52 H SER 52 8.299 -13.213 1.911 407 HA SER 52 HA SER 52 11.243 -13.261 2.449 408 1HB SER 52 2HB SER 52 9.762 -13.299 -0.201 409 2HB SER 52 1HB SER 52 11.522 -13.133 -0.065 410 HG SER 52 HG SER 52 9.921 -15.174 1.094 411 H ALA 53 H ALA 53 12.399 -11.445 2.468 412 HA ALA 53 HA ALA 53 11.045 -8.848 1.779 413 1HB ALA 53 2HB ALA 53 11.849 -9.188 4.137 414 2HB ALA 53 1HB ALA 53 13.475 -9.495 3.554 415 3HB ALA 53 3HB ALA 53 12.765 -7.901 3.370 416 H ASP 54 H ASP 54 12.015 -10.400 -0.300 417 HA ASP 54 HA ASP 54 14.090 -8.611 -1.325 418 1HB ASP 54 2HB ASP 54 14.968 -10.977 -0.937 419 2HB ASP 54 1HB ASP 54 13.736 -11.581 -2.047 420 H LEU 55 H LEU 55 12.942 -10.673 -3.742 421 HA LEU 55 HA LEU 55 12.144 -9.282 -5.774 422 1HB LEU 55 2HB LEU 55 11.249 -11.536 -5.462 423 2HB LEU 55 1HB LEU 55 10.075 -10.988 -4.298 424 HG LEU 55 HG LEU 55 9.210 -11.522 -6.688 425 1HD1 LEU 55 3HD1 LEU 55 7.825 -10.083 -5.122 426 2HD1 LEU 55 2HD1 LEU 55 8.603 -8.650 -5.766 427 3HD1 LEU 55 1HD1 LEU 55 7.632 -9.638 -6.803 428 1HD2 LEU 55 3HD2 LEU 55 11.043 -10.388 -7.945 429 2HD2 LEU 55 2HD2 LEU 55 9.480 -9.727 -8.381 430 3HD2 LEU 55 1HD2 LEU 55 10.529 -8.834 -7.317 431 H ALA 56 H ALA 56 9.881 -9.009 -3.108 432 HA ALA 56 HA ALA 56 8.147 -7.019 -3.943 433 1HB ALA 56 2HB ALA 56 8.051 -8.324 -1.823 434 2HB ALA 56 1HB ALA 56 9.423 -7.431 -1.187 435 3HB ALA 56 3HB ALA 56 7.885 -6.627 -1.468 436 H LYS 57 H LYS 57 11.346 -6.379 -2.598 437 HA LYS 57 HA LYS 57 11.115 -3.462 -2.822 438 1HB LYS 57 2HB LYS 57 13.836 -4.660 -2.951 439 2HB LYS 57 1HB LYS 57 13.289 -3.346 -1.957 440 1HG LYS 57 2HG LYS 57 12.233 -4.858 -0.318 441 2HG LYS 57 1HG LYS 57 12.664 -6.273 -1.251 442 1HD LYS 57 2HD LYS 57 14.638 -4.272 -0.076 443 2HD LYS 57 1HD LYS 57 14.319 -5.852 0.577 444 1HE LYS 57 2HE LYS 57 15.058 -5.932 -2.290 445 2HE LYS 57 1HE LYS 57 16.293 -5.186 -1.296 446 1HZ LYS 57 2HZ LYS 57 15.173 -7.567 -0.071 447 2HZ LYS 57 1HZ LYS 57 15.745 -7.941 -1.598 448 3HZ LYS 57 3HZ LYS 57 16.797 -7.343 -0.493 449 H SER 58 H SER 58 11.558 -5.683 -5.114 450 HA SER 58 HA SER 58 12.964 -3.842 -7.029 451 1HB SER 58 2HB SER 58 13.738 -6.277 -6.955 452 2HB SER 58 1HB SER 58 12.112 -6.768 -7.448 453 HG SER 58 HG SER 58 12.528 -4.951 -9.165 454 H LEU 59 H LEU 59 10.060 -4.535 -5.836 455 HA LEU 59 HA LEU 59 8.497 -3.956 -8.287 456 1HB LEU 59 2HB LEU 59 7.889 -6.052 -7.184 457 2HB LEU 59 1HB LEU 59 7.745 -5.270 -5.630 458 HG LEU 59 HG LEU 59 5.813 -3.935 -6.425 459 1HD1 LEU 59 3HD1 LEU 59 6.207 -5.462 -9.041 460 2HD1 LEU 59 2HD1 LEU 59 4.868 -4.386 -8.669 461 3HD1 LEU 59 1HD1 LEU 59 6.474 -3.742 -8.809 462 1HD2 LEU 59 1HD2 LEU 59 5.472 -6.311 -5.543 463 2HD2 LEU 59 3HD2 LEU 59 4.255 -5.871 -6.728 464 3HD2 LEU 59 2HD2 LEU 59 5.602 -6.902 -7.184 465 H SER 60 H SER 60 8.880 -3.112 -4.806 466 HA SER 60 HA SER 60 7.574 -0.435 -5.329 467 1HB SER 60 2HB SER 60 7.725 -2.040 -2.827 468 2HB SER 60 1HB SER 60 7.124 -0.372 -2.924 469 HG SER 60 HG SER 60 5.622 -2.356 -3.419 470 H HIS 61 H HIS 61 8.706 1.327 -4.867 471 HA HIS 61 HA HIS 61 10.678 2.117 -3.185 472 1HB HIS 61 2HB HIS 61 12.875 1.712 -4.526 473 2HB HIS 61 1HB HIS 61 12.188 0.225 -3.913 474 HD1 HIS 61 HD1 HIS 61 12.675 -1.313 -5.741 475 HD2 HIS 61 HD2 HIS 61 11.039 2.045 -7.352 476 HE1 HIS 61 HE1 HIS 61 12.368 -1.752 -8.182 477 H LYS 62 H LYS 62 12.189 3.823 -4.067 478 HA LYS 62 HA LYS 62 12.174 5.130 -6.438 479 1HB LYS 62 2HB LYS 62 9.477 5.349 -5.407 480 2HB LYS 62 1HB LYS 62 10.103 6.913 -5.435 481 1HG LYS 62 2HG LYS 62 10.094 5.053 -7.847 482 2HG LYS 62 1HG LYS 62 9.098 6.471 -7.669 483 1HD LYS 62 2HD LYS 62 12.201 6.498 -7.890 484 2HD LYS 62 1HD LYS 62 11.102 6.895 -9.168 485 1HE LYS 62 2HE LYS 62 10.715 9.004 -8.443 486 2HE LYS 62 1HE LYS 62 10.656 8.539 -6.751 487 1HZ LYS 62 1HZ LYS 62 13.285 8.085 -7.563 488 2HZ LYS 62 3HZ LYS 62 12.907 9.662 -8.116 489 3HZ LYS 62 2HZ LYS 62 12.754 9.190 -6.503 490 H GLN 63 H GLN 63 11.721 6.186 -3.111 491 HA GLN 63 HA GLN 63 12.378 8.018 -2.015 492 1HB GLN 63 2HB GLN 63 14.736 7.264 -3.790 493 2HB GLN 63 1HB GLN 63 14.940 8.377 -2.435 494 1HG GLN 63 2HG GLN 63 14.025 6.573 -0.874 495 2HG GLN 63 1HG GLN 63 13.825 5.502 -2.228 496 1HE2 GLN 63 2HE2 GLN 63 17.267 5.411 -0.434 497 2HE2 GLN 63 1HE2 GLN 63 15.854 6.061 0.285 498 H LEU 64 H LEU 64 12.162 10.087 -1.852 499 HA LEU 64 HA LEU 64 11.456 12.265 -2.498 500 1HB LEU 64 2HB LEU 64 14.064 11.761 -3.976 501 2HB LEU 64 1HB LEU 64 13.300 13.325 -4.032 502 HG LEU 64 HG LEU 64 13.391 13.416 -1.495 503 1HD1 LEU 64 1HD1 LEU 64 15.149 10.946 -1.851 504 2HD1 LEU 64 3HD1 LEU 64 14.964 11.862 -0.368 505 3HD1 LEU 64 2HD1 LEU 64 13.612 10.963 -1.000 506 1HD2 LEU 64 2HD2 LEU 64 15.128 14.462 -2.941 507 2HD2 LEU 64 1HD2 LEU 64 15.839 13.844 -1.463 508 3HD2 LEU 64 3HD2 LEU 64 16.023 12.955 -2.963 509 H LEU 65 H LEU 65 9.408 11.518 -3.636 510 HA LEU 65 HA LEU 65 9.528 11.320 -6.574 511 1HB LEU 65 2HB LEU 65 7.843 10.197 -4.755 512 2HB LEU 65 1HB LEU 65 6.966 11.665 -5.085 513 HG LEU 65 HG LEU 65 6.032 10.021 -6.513 514 1HD1 LEU 65 1HD1 LEU 65 6.446 12.197 -7.628 515 2HD1 LEU 65 3HD1 LEU 65 7.987 11.594 -8.222 516 3HD1 LEU 65 2HD1 LEU 65 6.491 10.852 -8.749 517 1HD2 LEU 65 3HD2 LEU 65 7.876 8.394 -6.402 518 2HD2 LEU 65 2HD2 LEU 65 7.363 8.684 -8.051 519 3HD2 LEU 65 1HD2 LEU 65 8.838 9.425 -7.466 520 H MET 66 H MET 66 10.515 13.388 -6.837 521 HA MET 66 HA MET 66 8.703 15.788 -6.724 522 1HB MET 66 2HB MET 66 11.089 15.690 -5.868 523 2HB MET 66 1HB MET 66 11.596 15.472 -7.534 524 1HG MET 66 2HG MET 66 10.677 17.656 -8.166 525 2HG MET 66 1HG MET 66 10.054 17.917 -6.560 526 1HE MET 66 3HE MET 66 11.767 17.730 -4.440 527 2HE MET 66 2HE MET 66 12.930 19.035 -4.491 528 3HE MET 66 1HE MET 66 11.252 19.379 -4.877 529 H SER 67 H SER 67 8.366 13.599 -8.345 530 HA SER 67 HA SER 67 8.515 14.572 -11.203 531 1HB SER 67 2HB SER 67 8.102 11.684 -10.349 532 2HB SER 67 1HB SER 67 8.536 12.306 -11.940 533 HG SER 67 HG SER 67 10.284 13.405 -10.387 534 HA PRO 68 HA PRO 68 3.896 14.972 -10.288 535 1HB PRO 68 2HB PRO 68 3.711 16.639 -12.582 536 2HB PRO 68 1HB PRO 68 3.835 17.203 -10.914 537 1HG PRO 68 2HG PRO 68 6.101 16.671 -12.916 538 2HG PRO 68 1HG PRO 68 5.858 18.125 -11.941 539 1HD PRO 68 2HD PRO 68 7.609 16.375 -11.039 540 2HD PRO 68 1HD PRO 68 6.368 16.868 -9.863 541 H GLY 69 H GLY 69 2.513 13.407 -11.002 542 1HA GLY 69 2HA GLY 69 1.377 12.016 -12.564 543 2HA GLY 69 1HA GLY 69 2.486 12.538 -13.830 544 H GLN 70 H GLN 70 4.642 11.823 -13.533 545 HA GLN 70 HA GLN 70 5.576 9.546 -14.151 546 1HB GLN 70 2HB GLN 70 6.884 11.372 -13.078 547 2HB GLN 70 1HB GLN 70 6.484 10.684 -11.514 548 1HG GLN 70 2HG GLN 70 8.745 9.825 -12.132 549 2HG GLN 70 1HG GLN 70 7.624 8.489 -12.254 550 1HE2 GLN 70 2HE2 GLN 70 9.701 9.362 -15.428 551 2HE2 GLN 70 1HE2 GLN 70 10.111 9.948 -13.874 552 H SER 71 H SER 71 4.354 7.681 -14.039 553 HA SER 71 HA SER 71 4.161 6.328 -11.349 554 1HB SER 71 2HB SER 71 2.027 6.803 -12.506 555 2HB SER 71 1HB SER 71 2.494 5.659 -13.757 556 HG SER 71 HG SER 71 1.359 4.877 -11.865 557 H THR 72 H THR 72 4.033 4.066 -11.348 558 HA THR 72 HA THR 72 6.130 2.689 -13.049 559 HB THR 72 HB THR 72 6.978 2.911 -10.853 560 HG1 THR 72 HG1 THR 72 6.560 0.432 -10.330 561 1HG2 THR 72 2HG2 THR 72 4.572 1.310 -9.844 562 2HG2 THR 72 1HG2 THR 72 5.958 1.839 -8.912 563 3HG2 THR 72 3HG2 THR 72 4.817 3.020 -9.526 564 H SER 73 H SER 73 4.418 2.058 -14.601 565 HA SER 73 HA SER 73 2.337 0.133 -13.808 566 1HB SER 73 2HB SER 73 2.087 -0.144 -16.346 567 2HB SER 73 1HB SER 73 1.992 1.552 -15.856 568 HG SER 73 HG SER 73 4.431 0.238 -16.538 569 H THR 74 H THR 74 3.567 -1.263 -12.661 570 HA THR 74 HA THR 74 5.561 -2.958 -14.148 571 HB THR 74 HB THR 74 5.206 -2.412 -11.173 572 HG1 THR 74 HG1 THR 74 6.593 -0.939 -12.036 573 1HG2 THR 74 1HG2 THR 74 7.347 -4.050 -12.637 574 2HG2 THR 74 3HG2 THR 74 7.261 -3.726 -10.924 575 3HG2 THR 74 2HG2 THR 74 6.114 -4.839 -11.654 576 H THR 75 H THR 75 5.555 -5.084 -14.237 577 HA THR 75 HA THR 75 2.979 -6.526 -13.638 578 HB THR 75 HB THR 75 3.700 -6.526 -16.105 579 HG1 THR 75 HG1 THR 75 3.986 -9.182 -15.354 580 1HG2 THR 75 2HG2 THR 75 5.814 -8.497 -15.071 581 2HG2 THR 75 1HG2 THR 75 5.466 -8.077 -16.740 582 3HG2 THR 75 3HG2 THR 75 6.214 -6.897 -15.675 583 H PHE 76 H PHE 76 3.164 -8.813 -13.486 584 HA PHE 76 HA PHE 76 5.250 -9.661 -11.495 585 1HB PHE 76 2HB PHE 76 2.351 -10.688 -11.706 586 2HB PHE 76 1HB PHE 76 3.414 -10.846 -10.309 587 HD1 PHE 76 HD1 PHE 76 4.511 -8.484 -9.594 588 HD2 PHE 76 HD2 PHE 76 0.757 -8.908 -11.554 589 HE1 PHE 76 HE1 PHE 76 3.857 -6.266 -8.827 590 HE2 PHE 76 HE2 PHE 76 0.105 -6.688 -10.787 591 HZ PHE 76 HZ PHE 76 1.663 -5.349 -9.429 592 HA PRO 77 HA PRO 77 5.458 -13.291 -14.236 593 1HB PRO 77 2HB PRO 77 7.216 -14.798 -12.953 594 2HB PRO 77 1HB PRO 77 7.631 -13.115 -13.224 595 1HG PRO 77 2HG PRO 77 6.441 -14.343 -10.697 596 2HG PRO 77 1HG PRO 77 7.851 -13.315 -10.820 597 1HD PRO 77 2HD PRO 77 5.175 -12.362 -10.343 598 2HD PRO 77 1HD PRO 77 6.533 -11.342 -10.890 599 H ALA 78 H ALA 78 5.668 -15.997 -12.916 600 HA ALA 78 HA ALA 78 2.715 -16.419 -12.455 601 1HB ALA 78 2HB ALA 78 4.901 -18.325 -13.451 602 2HB ALA 78 1HB ALA 78 3.194 -18.734 -13.312 603 3HB ALA 78 3HB ALA 78 3.714 -17.517 -14.469 604 H ASP 79 H ASP 79 5.798 -17.234 -11.401 605 HA ASP 79 HA ASP 79 5.391 -18.923 -9.169 606 1HB ASP 79 2HB ASP 79 7.916 -18.124 -8.861 607 2HB ASP 79 1HB ASP 79 7.522 -18.858 -10.401 608 H ALA 80 H ALA 80 6.762 -15.770 -8.823 609 HA ALA 80 HA ALA 80 6.462 -15.179 -6.194 610 1HB ALA 80 2HB ALA 80 7.595 -13.764 -7.857 611 2HB ALA 80 1HB ALA 80 6.054 -13.282 -8.542 612 3HB ALA 80 3HB ALA 80 6.487 -12.762 -6.920 613 HA PRO 81 HA PRO 81 2.655 -12.826 -6.270 614 1HB PRO 81 2HB PRO 81 1.238 -12.224 -8.467 615 2HB PRO 81 1HB PRO 81 2.985 -11.908 -8.441 616 1HG PRO 81 2HG PRO 81 1.493 -14.330 -9.619 617 2HG PRO 81 1HG PRO 81 2.779 -13.413 -10.388 618 1HD PRO 81 2HD PRO 81 3.090 -15.806 -8.840 619 2HD PRO 81 1HD PRO 81 4.418 -14.724 -9.307 620 H ALA 82 H ALA 82 2.008 -14.845 -5.050 621 HA ALA 82 HA ALA 82 -0.893 -15.495 -5.568 622 1HB ALA 82 3HB ALA 82 0.626 -17.377 -5.931 623 2HB ALA 82 2HB ALA 82 1.300 -17.190 -4.318 624 3HB ALA 82 1HB ALA 82 -0.374 -17.707 -4.524 625 H GLY 83 H GLY 83 -2.026 -14.046 -4.206 626 1HA GLY 83 2HA GLY 83 -3.036 -14.027 -1.912 627 2HA GLY 83 1HA GLY 83 -1.410 -14.211 -1.252 628 H GLU 84 H GLU 84 -1.775 -12.230 -0.012 629 HA GLU 84 HA GLU 84 -1.758 -9.822 -1.742 630 1HB GLU 84 2HB GLU 84 -2.697 -8.640 0.174 631 2HB GLU 84 1HB GLU 84 -3.696 -9.950 -0.418 632 1HG GLU 84 2HG GLU 84 -2.719 -11.425 1.512 633 2HG GLU 84 1HG GLU 84 -2.002 -9.955 2.148 634 H TYR 85 H TYR 85 -0.670 -8.105 -1.331 635 HA TYR 85 HA TYR 85 1.912 -8.355 0.211 636 1HB TYR 85 2HB TYR 85 1.591 -6.520 -2.187 637 2HB TYR 85 1HB TYR 85 3.033 -7.337 -1.579 638 HD1 TYR 85 HD2 TYR 85 1.961 -10.160 -1.363 639 HD2 TYR 85 HD1 TYR 85 1.554 -7.181 -4.362 640 HE1 TYR 85 HE2 TYR 85 1.566 -11.907 -3.080 641 HE2 TYR 85 HE1 TYR 85 1.168 -8.939 -6.041 642 HH TYR 85 HH TYR 85 1.443 -11.149 -6.407 643 H THR 86 H THR 86 1.710 -5.323 -0.950 644 HA THR 86 HA THR 86 0.259 -3.411 0.230 645 HB THR 86 HB THR 86 1.990 -4.349 2.502 646 HG1 THR 86 HG1 THR 86 0.050 -5.085 2.700 647 1HG2 THR 86 2HG2 THR 86 1.802 -1.666 2.183 648 2HG2 THR 86 1HG2 THR 86 0.085 -1.919 2.240 649 3HG2 THR 86 3HG2 THR 86 1.076 -2.326 3.629 650 H PHE 87 H PHE 87 0.973 -1.668 -0.710 651 HA PHE 87 HA PHE 87 3.813 -1.267 -1.252 652 1HB PHE 87 2HB PHE 87 1.467 0.607 -1.888 653 2HB PHE 87 1HB PHE 87 3.059 0.679 -2.601 654 HD1 PHE 87 HD1 PHE 87 3.519 -2.213 -3.266 655 HD2 PHE 87 HD2 PHE 87 0.094 0.258 -3.715 656 HE1 PHE 87 HE1 PHE 87 2.768 -3.599 -5.143 657 HE2 PHE 87 HE2 PHE 87 -0.669 -1.125 -5.582 658 HZ PHE 87 HZ PHE 87 0.669 -3.043 -6.308 659 H TYR 88 H TYR 88 5.083 0.231 -0.285 660 HA TYR 88 HA TYR 88 4.107 1.570 2.107 661 1HB TYR 88 2HB TYR 88 5.910 -0.315 2.066 662 2HB TYR 88 1HB TYR 88 6.960 0.940 1.455 663 HD1 TYR 88 HD2 TYR 88 7.363 3.015 2.766 664 HD2 TYR 88 HD1 TYR 88 5.112 -0.250 4.205 665 HE1 TYR 88 HE2 TYR 88 7.468 3.942 4.926 666 HE2 TYR 88 HE1 TYR 88 5.183 0.609 6.403 667 HH TYR 88 HH TYR 88 7.272 3.240 7.273 668 H CYS 89 H CYS 89 3.518 3.766 1.206 669 HA CYS 89 HA CYS 89 5.510 5.265 -0.318 670 1HB CYS 89 2HB CYS 89 3.005 5.808 -0.111 671 2HB CYS 89 1HB CYS 89 3.425 6.592 1.395 672 H GLU 90 H GLU 90 7.410 5.024 0.624 673 HA GLU 90 HA GLU 90 8.793 5.243 2.765 674 1HB GLU 90 2HB GLU 90 9.106 6.925 0.279 675 2HB GLU 90 1HB GLU 90 10.425 6.765 1.426 676 1HG GLU 90 2HG GLU 90 10.562 4.345 0.788 677 2HG GLU 90 1HG GLU 90 9.065 4.435 -0.120 678 HA PRO 91 HA PRO 91 8.523 9.547 4.525 679 1HB PRO 91 2HB PRO 91 8.630 11.788 3.163 680 2HB PRO 91 1HB PRO 91 9.919 10.595 2.876 681 1HG PRO 91 2HG PRO 91 7.283 10.881 1.270 682 2HG PRO 91 1HG PRO 91 8.916 10.991 0.619 683 1HD PRO 91 2HD PRO 91 7.556 8.573 0.641 684 2HD PRO 91 1HD PRO 91 9.323 8.729 0.857 685 H HIS 92 HN HIP 92 5.974 8.411 3.249 686 HA HIS 92 HA HIP 92 4.111 10.549 4.263 687 1HB HIS 92 2HB HIP 92 3.841 8.759 1.865 688 2HB HIS 92 1HB HIP 92 2.451 9.575 2.570 689 HD2 HIS 92 HD2 HIP 92 4.717 12.397 2.924 690 HE1 HIS 92 HE1 HIP 92 3.657 12.370 -1.111 691 HE2 HIS 92 HE2 HIP 92 4.597 13.672 0.713 692 H ARG 93 H ARG 93 4.536 7.119 4.060 693 HA ARG 93 HA ARG 93 2.411 5.774 4.849 694 1HB ARG 93 2HB ARG 93 5.019 5.261 5.331 695 2HB ARG 93 1HB ARG 93 4.536 5.596 6.984 696 1HG ARG 93 2HG ARG 93 4.019 3.253 6.702 697 2HG ARG 93 1HG ARG 93 2.463 4.034 6.539 698 1HD ARG 93 2HD ARG 93 3.104 4.123 3.915 699 2HD ARG 93 1HD ARG 93 4.243 2.887 4.368 700 HE ARG 93 HE ARG 93 1.247 2.638 4.762 701 1HH1 ARG 93 2HH1 ARG 93 2.662 1.029 6.494 702 2HH1 ARG 93 1HH1 ARG 93 2.899 -0.450 5.579 703 1HH2 ARG 93 1HH2 ARG 93 2.198 1.111 2.686 704 2HH2 ARG 93 2HH2 ARG 93 2.723 -0.394 3.395 705 H GLY 94 H GLY 94 3.615 7.964 7.293 706 1HA GLY 94 2HA GLY 94 2.010 7.551 9.501 707 2HA GLY 94 1HA GLY 94 2.300 9.189 8.932 708 H ALA 95 H ALA 95 0.817 8.852 6.521 709 HA ALA 95 HA ALA 95 -1.956 9.050 7.649 710 1HB ALA 95 2HB ALA 95 -0.733 10.101 5.051 711 2HB ALA 95 1HB ALA 95 -2.376 10.418 5.577 712 3HB ALA 95 3HB ALA 95 -1.023 11.047 6.506 713 H GLY 96 H GLY 96 -0.741 6.553 6.929 714 1HA GLY 96 2HA GLY 96 -2.012 4.506 6.474 715 2HA GLY 96 1HA GLY 96 -2.941 5.376 5.278 716 H MET 97 H MET 97 -1.632 6.119 3.460 717 HA MET 97 HA MET 97 -0.835 5.120 1.358 718 1HB MET 97 2HB MET 97 1.504 5.457 3.227 719 2HB MET 97 1HB MET 97 1.669 5.262 1.507 720 1HG MET 97 2HG MET 97 -0.097 7.493 2.491 721 2HG MET 97 1HG MET 97 1.611 7.693 2.664 722 1HE MET 97 2HE MET 97 -1.411 7.405 0.589 723 2HE MET 97 1HE MET 97 -1.067 9.118 0.323 724 3HE MET 97 3HE MET 97 -1.010 7.959 -1.008 725 H VAL 98 H VAL 98 -1.924 3.070 2.365 726 HA VAL 98 HA VAL 98 -0.103 0.686 2.257 727 HB VAL 98 HB VAL 98 -2.650 1.259 3.768 728 1HG1 VAL 98 3HG1 VAL 98 -1.651 -1.592 3.177 729 2HG1 VAL 98 2HG1 VAL 98 -2.925 -1.150 4.281 730 3HG1 VAL 98 1HG1 VAL 98 -3.151 -0.917 2.568 731 1HG2 VAL 98 2HG2 VAL 98 -0.398 1.406 4.866 732 2HG2 VAL 98 1HG2 VAL 98 -1.354 0.120 5.557 733 3HG2 VAL 98 3HG2 VAL 98 -0.074 -0.261 4.422 734 H GLY 99 H GLY 99 -0.106 -0.267 0.374 735 1HA GLY 99 2HA GLY 99 -2.664 -0.602 -1.259 736 2HA GLY 99 1HA GLY 99 -1.103 -0.358 -2.030 737 H LYS 100 H LYS 100 -3.080 -2.692 -0.263 738 HA LYS 100 HA LYS 100 -0.970 -4.756 -0.649 739 1HB LYS 100 2HB LYS 100 -2.242 -6.159 0.822 740 2HB LYS 100 1HB LYS 100 -2.187 -4.568 1.513 741 1HG LYS 100 2HG LYS 100 -4.477 -4.095 0.965 742 2HG LYS 100 1HG LYS 100 -4.663 -5.502 -0.047 743 1HD LYS 100 2HD LYS 100 -3.780 -6.641 2.395 744 2HD LYS 100 1HD LYS 100 -4.762 -5.311 2.933 745 1HE LYS 100 2HE LYS 100 -6.302 -7.084 2.750 746 2HE LYS 100 1HE LYS 100 -6.558 -6.241 1.216 747 1HZ LYS 100 3HZ LYS 100 -4.383 -8.129 1.194 748 2HZ LYS 100 2HZ LYS 100 -5.729 -8.881 1.592 749 3HZ LYS 100 1HZ LYS 100 -5.644 -8.123 0.077 750 H ILE 101 H ILE 101 -0.980 -4.838 -2.984 751 HA ILE 101 HA ILE 101 -3.233 -5.675 -4.512 752 HB ILE 101 HB ILE 101 -0.443 -6.945 -4.829 753 1HG1 ILE 101 2HG1 ILE 101 -1.514 -4.468 -6.200 754 2HG1 ILE 101 1HG1 ILE 101 -0.078 -4.657 -5.226 755 1HG2 ILE 101 2HG2 ILE 101 -2.796 -6.888 -6.755 756 2HG2 ILE 101 1HG2 ILE 101 -1.246 -7.614 -7.140 757 3HG2 ILE 101 3HG2 ILE 101 -2.233 -8.288 -5.889 758 1HD1 ILE 101 2HD1 ILE 101 0.934 -6.208 -7.002 759 2HD1 ILE 101 1HD1 ILE 101 -0.487 -6.002 -7.991 760 3HD1 ILE 101 3HD1 ILE 101 0.550 -4.650 -7.704 761 H THR 102 H THR 102 -4.427 -7.323 -4.408 762 HA THR 102 HA THR 102 -3.670 -9.751 -2.773 763 HB THR 102 HB THR 102 -6.498 -8.715 -3.409 764 HG1 THR 102 HG1 THR 102 -4.764 -7.608 -1.919 765 1HG2 THR 102 2HG2 THR 102 -5.359 -10.663 -1.309 766 2HG2 THR 102 1HG2 THR 102 -7.046 -10.279 -1.576 767 3HG2 THR 102 3HG2 THR 102 -6.158 -11.199 -2.773 768 H VAL 103 H VAL 103 -2.696 -10.868 -4.557 769 HA VAL 103 HA VAL 103 -4.068 -10.857 -7.135 770 HB VAL 103 HB VAL 103 -1.737 -12.580 -6.220 771 1HG1 VAL 103 2HG1 VAL 103 -2.778 -11.862 -9.004 772 2HG1 VAL 103 1HG1 VAL 103 -1.313 -12.773 -8.658 773 3HG1 VAL 103 3HG1 VAL 103 -2.865 -13.444 -8.234 774 1HG2 VAL 103 1HG2 VAL 103 -1.817 -9.910 -7.665 775 2HG2 VAL 103 3HG2 VAL 103 -1.212 -10.199 -6.043 776 3HG2 VAL 103 2HG2 VAL 103 -0.381 -10.890 -7.417 777 H ALA 104 H ALA 104 -5.332 -12.082 -7.953 778 HA ALA 104 HA ALA 104 -6.457 -14.498 -6.643 779 1HB ALA 104 2HB ALA 104 -7.534 -12.605 -8.787 780 2HB ALA 104 1HB ALA 104 -8.440 -13.936 -8.086 781 3HB ALA 104 3HB ALA 104 -7.971 -12.566 -7.086 782 H GLY 105 HN GLY 105 -4.747 -15.791 -7.313 783 1HA GLY 105 2HA GLY 105 -4.826 -16.844 -10.104 784 2HA GLY 105 1HA GLY 105 -3.274 -16.562 -9.295 No H/Q in entry = 784 Start of MODEL 15 1 1H GLU 1 1H GLU 1 -4.050 -6.363 -13.326 2 2H GLU 1 3H GLU 1 -5.528 -6.983 -12.771 3 3H GLU 1 2H GLU 1 -4.847 -7.591 -14.183 4 HA GLU 1 HA GLU 1 -5.882 -6.044 -15.404 5 1HB GLU 1 2HB GLU 1 -6.990 -5.101 -12.804 6 2HB GLU 1 1HB GLU 1 -7.745 -4.971 -14.383 7 1HG GLU 1 2HG GLU 1 -8.848 -6.921 -13.702 8 2HG GLU 1 1HG GLU 1 -7.417 -7.741 -14.270 9 H THR 2 H THR 2 -4.341 -4.655 -16.263 10 HA THR 2 HA THR 2 -2.834 -2.691 -15.018 11 HB THR 2 HB THR 2 -2.566 -3.559 -17.425 12 HG1 THR 2 HG1 THR 2 -1.834 -1.373 -16.545 13 1HG2 THR 2 3HG2 THR 2 -4.947 -3.224 -18.207 14 2HG2 THR 2 2HG2 THR 2 -4.650 -1.487 -18.140 15 3HG2 THR 2 1HG2 THR 2 -3.699 -2.486 -19.202 16 H TYR 3 H TYR 3 -3.897 -1.851 -13.577 17 HA TYR 3 HA TYR 3 -5.905 0.340 -14.172 18 1HB TYR 3 2HB TYR 3 -5.253 -0.865 -11.442 19 2HB TYR 3 1HB TYR 3 -6.500 0.309 -11.743 20 HD1 TYR 3 HD1 TYR 3 -7.808 -1.102 -14.202 21 HD2 TYR 3 HD2 TYR 3 -6.490 -2.494 -10.403 22 HE1 TYR 3 HE1 TYR 3 -9.501 -2.925 -14.237 23 HE2 TYR 3 HE2 TYR 3 -8.191 -4.293 -10.488 24 HH TYR 3 HH TYR 3 -9.421 -5.493 -11.985 25 H THR 4 H THR 4 -5.434 2.524 -13.417 26 HA THR 4 HA THR 4 -2.636 2.948 -12.477 27 HB THR 4 HB THR 4 -2.957 5.218 -13.520 28 HG1 THR 4 HG1 THR 4 -4.892 4.408 -15.133 29 1HG2 THR 4 2HG2 THR 4 -3.579 2.888 -15.422 30 2HG2 THR 4 1HG2 THR 4 -2.903 4.452 -15.876 31 3HG2 THR 4 3HG2 THR 4 -1.973 3.358 -14.911 32 H VAL 5 H VAL 5 -2.706 3.166 -10.291 33 HA VAL 5 HA VAL 5 -4.940 4.671 -8.998 34 HB VAL 5 HB VAL 5 -4.182 2.745 -7.683 35 1HG1 VAL 5 1HG1 VAL 5 -1.407 3.974 -7.676 36 2HG1 VAL 5 3HG1 VAL 5 -1.887 2.529 -6.812 37 3HG1 VAL 5 2HG1 VAL 5 -1.842 2.507 -8.556 38 1HG2 VAL 5 1HG2 VAL 5 -4.673 4.786 -6.337 39 2HG2 VAL 5 3HG2 VAL 5 -3.427 3.820 -5.587 40 3HG2 VAL 5 2HG2 VAL 5 -2.993 5.283 -6.450 41 H LYS 6 H LYS 6 -4.830 6.666 -8.653 42 HA LYS 6 HA LYS 6 -2.373 8.303 -9.188 43 1HB LYS 6 2HB LYS 6 -5.357 9.044 -9.125 44 2HB LYS 6 1HB LYS 6 -4.069 10.069 -9.717 45 1HG LYS 6 2HG LYS 6 -3.621 8.690 -11.616 46 2HG LYS 6 1HG LYS 6 -4.419 7.288 -10.972 47 1HD LYS 6 2HD LYS 6 -6.623 8.702 -11.100 48 2HD LYS 6 1HD LYS 6 -5.692 9.882 -11.983 49 1HE LYS 6 2HE LYS 6 -6.903 8.455 -13.571 50 2HE LYS 6 1HE LYS 6 -5.172 8.168 -13.733 51 1HZ LYS 6 3HZ LYS 6 -6.016 6.419 -11.713 52 2HZ LYS 6 2HZ LYS 6 -7.185 6.273 -12.917 53 3HZ LYS 6 1HZ LYS 6 -5.575 5.964 -13.221 54 H LEU 7 H LEU 7 -1.763 7.413 -7.168 55 HA LEU 7 HA LEU 7 -2.979 8.166 -4.693 56 1HB LEU 7 2HB LEU 7 -0.958 7.180 -3.707 57 2HB LEU 7 1HB LEU 7 -1.443 6.231 -5.071 58 HG LEU 7 HG LEU 7 0.237 7.900 -6.375 59 1HD1 LEU 7 2HD1 LEU 7 1.410 7.731 -3.588 60 2HD1 LEU 7 1HD1 LEU 7 2.227 8.331 -5.014 61 3HD1 LEU 7 3HD1 LEU 7 0.860 9.202 -4.378 62 1HD2 LEU 7 2HD2 LEU 7 1.114 5.478 -4.767 63 2HD2 LEU 7 1HD2 LEU 7 0.376 5.452 -6.357 64 3HD2 LEU 7 3HD2 LEU 7 1.968 6.151 -6.149 65 H GLY 8 H GLY 8 -2.338 9.496 -3.110 66 1HA GLY 8 2HA GLY 8 -0.808 11.393 -2.290 67 2HA GLY 8 1HA GLY 8 -0.735 11.945 -3.928 68 H SER 9 H SER 9 -3.533 12.025 -4.380 69 HA SER 9 HA SER 9 -5.489 13.119 -3.155 70 1HB SER 9 2HB SER 9 -4.138 14.481 -1.509 71 2HB SER 9 1HB SER 9 -3.401 15.349 -2.843 72 HG SER 9 HG SER 9 -5.141 16.493 -3.027 73 H ASP 10 H ASP 10 -6.721 14.559 -3.947 74 HA ASP 10 HA ASP 10 -6.208 15.791 -6.609 75 1HB ASP 10 2HB ASP 10 -7.867 13.482 -6.035 76 2HB ASP 10 1HB ASP 10 -8.998 14.817 -6.254 77 H LYS 11 H LYS 11 -8.742 15.655 -4.208 78 HA LYS 11 HA LYS 11 -8.695 18.669 -4.061 79 1HB LYS 11 2HB LYS 11 -10.749 17.403 -4.892 80 2HB LYS 11 1HB LYS 11 -10.996 16.834 -3.262 81 1HG LYS 11 2HG LYS 11 -10.586 19.654 -2.949 82 2HG LYS 11 1HG LYS 11 -11.374 19.545 -4.492 83 1HD LYS 11 2HD LYS 11 -13.181 19.786 -2.865 84 2HD LYS 11 1HD LYS 11 -13.232 18.157 -3.483 85 1HE LYS 11 2HE LYS 11 -13.507 18.101 -1.045 86 2HE LYS 11 1HE LYS 11 -11.979 17.341 -1.473 87 1HZ LYS 11 1HZ LYS 11 -11.555 20.117 -1.271 88 2HZ LYS 11 3HZ LYS 11 -12.289 19.623 0.181 89 3HZ LYS 11 2HZ LYS 11 -10.853 18.902 -0.390 90 H GLY 12 H GLY 12 -6.999 16.797 -2.398 91 1HA GLY 12 2HA GLY 12 -6.128 17.715 -0.240 92 2HA GLY 12 1HA GLY 12 -7.759 17.822 0.319 93 H LEU 13 H LEU 13 -6.017 14.909 -0.965 94 HA LEU 13 HA LEU 13 -5.823 13.879 1.788 95 1HB LEU 13 2HB LEU 13 -8.306 13.700 1.172 96 2HB LEU 13 1HB LEU 13 -7.879 12.516 -0.037 97 HG LEU 13 HG LEU 13 -7.040 12.127 2.883 98 1HD1 LEU 13 1HD1 LEU 13 -9.661 11.302 1.542 99 2HD1 LEU 13 3HD1 LEU 13 -9.159 10.858 3.163 100 3HD1 LEU 13 2HD1 LEU 13 -9.504 12.533 2.783 101 1HD2 LEU 13 2HD2 LEU 13 -7.806 10.158 0.657 102 2HD2 LEU 13 1HD2 LEU 13 -6.150 10.508 1.090 103 3HD2 LEU 13 3HD2 LEU 13 -7.200 9.732 2.239 104 H LEU 14 H LEU 14 -4.391 12.102 1.949 105 HA LEU 14 HA LEU 14 -2.840 11.490 -0.458 106 1HB LEU 14 2HB LEU 14 -2.704 10.490 2.421 107 2HB LEU 14 1HB LEU 14 -1.565 9.995 1.200 108 HG LEU 14 HG LEU 14 -1.992 12.937 1.914 109 1HD1 LEU 14 1HD1 LEU 14 -1.109 11.571 3.850 110 2HD1 LEU 14 3HD1 LEU 14 0.154 10.945 2.807 111 3HD1 LEU 14 2HD1 LEU 14 0.115 12.651 3.209 112 1HD2 LEU 14 1HD2 LEU 14 0.277 11.427 0.508 113 2HD2 LEU 14 3HD2 LEU 14 -0.910 12.420 -0.317 114 3HD2 LEU 14 2HD2 LEU 14 0.215 13.155 0.790 115 H VAL 15 H VAL 15 -5.057 10.708 -1.296 116 HA VAL 15 HA VAL 15 -6.168 8.155 -0.854 117 HB VAL 15 HB VAL 15 -5.883 9.834 -3.416 118 1HG1 VAL 15 3HG1 VAL 15 -6.562 7.465 -3.981 119 2HG1 VAL 15 2HG1 VAL 15 -7.882 7.597 -2.837 120 3HG1 VAL 15 1HG1 VAL 15 -7.864 8.594 -4.271 121 1HG2 VAL 15 1HG2 VAL 15 -7.122 10.936 -1.527 122 2HG2 VAL 15 3HG2 VAL 15 -8.206 10.551 -2.853 123 3HG2 VAL 15 2HG2 VAL 15 -8.175 9.532 -1.426 124 H PHE 16 H PHE 16 -5.992 6.196 -1.833 125 HA PHE 16 HA PHE 16 -3.604 5.538 -3.445 126 1HB PHE 16 2HB PHE 16 -3.623 5.277 -0.648 127 2HB PHE 16 1HB PHE 16 -4.078 3.670 -1.171 128 HD1 PHE 16 HD2 PHE 16 -1.567 6.297 -1.570 129 HD2 PHE 16 HD1 PHE 16 -2.488 2.227 -2.181 130 HE1 PHE 16 HE2 PHE 16 0.810 5.863 -2.140 131 HE2 PHE 16 HE1 PHE 16 -0.139 1.761 -2.742 132 HZ PHE 16 HZ PHE 16 1.513 3.588 -2.718 133 H GLU 17 H GLU 17 -6.507 5.505 -3.548 134 HA GLU 17 HA GLU 17 -7.617 3.010 -3.836 135 1HB GLU 17 2HB GLU 17 -8.237 5.766 -4.788 136 2HB GLU 17 1HB GLU 17 -9.257 4.466 -5.372 137 1HG GLU 17 2HG GLU 17 -9.872 5.628 -3.016 138 2HG GLU 17 1HG GLU 17 -10.024 3.893 -3.140 139 HA PRO 18 HA PRO 18 -8.807 1.563 -4.364 140 1HB PRO 18 2HB PRO 18 -9.054 -0.929 -5.174 141 2HB PRO 18 1HB PRO 18 -9.704 0.390 -6.162 142 1HG PRO 18 2HG PRO 18 -6.983 -1.007 -6.443 143 2HG PRO 18 1HG PRO 18 -8.191 -0.802 -7.709 144 1HD PRO 18 2HD PRO 18 -6.049 0.971 -7.339 145 2HD PRO 18 1HD PRO 18 -7.597 1.496 -8.027 146 H ALA 19 H ALA 19 -7.333 1.876 -2.501 147 HA ALA 19 HA ALA 19 -5.067 0.885 -1.639 148 1HB ALA 19 2HB ALA 19 -7.713 0.773 -0.121 149 2HB ALA 19 1HB ALA 19 -6.123 0.761 0.645 150 3HB ALA 19 3HB ALA 19 -6.645 2.145 -0.288 151 H LYS 20 H LYS 20 -7.766 -1.272 -1.755 152 HA LYS 20 HA LYS 20 -6.032 -3.665 -1.155 153 1HB LYS 20 2HB LYS 20 -8.043 -3.251 0.359 154 2HB LYS 20 1HB LYS 20 -9.070 -3.395 -1.057 155 1HG LYS 20 2HG LYS 20 -7.706 -5.734 -1.365 156 2HG LYS 20 1HG LYS 20 -7.435 -5.532 0.352 157 1HD LYS 20 2HD LYS 20 -9.595 -6.224 0.845 158 2HD LYS 20 1HD LYS 20 -10.258 -4.980 -0.181 159 1HE LYS 20 2HE LYS 20 -11.026 -7.123 -1.027 160 2HE LYS 20 1HE LYS 20 -9.906 -6.401 -2.185 161 1HZ LYS 20 1HZ LYS 20 -8.328 -7.800 -0.357 162 2HZ LYS 20 3HZ LYS 20 -9.563 -8.882 -0.812 163 3HZ LYS 20 2HZ LYS 20 -8.593 -8.151 -1.969 164 H LEU 21 H LEU 21 -5.301 -3.359 -3.426 165 HA LEU 21 HA LEU 21 -7.244 -4.034 -5.523 166 1HB LEU 21 2HB LEU 21 -5.543 -2.236 -5.661 167 2HB LEU 21 1HB LEU 21 -4.291 -3.430 -5.597 168 HG LEU 21 HG LEU 21 -5.361 -2.394 -7.953 169 1HD1 LEU 21 2HD1 LEU 21 -3.218 -3.620 -7.591 170 2HD1 LEU 21 1HD1 LEU 21 -4.098 -5.126 -7.506 171 3HD1 LEU 21 3HD1 LEU 21 -4.053 -4.208 -9.000 172 1HD2 LEU 21 2HD2 LEU 21 -7.507 -3.779 -7.715 173 2HD2 LEU 21 1HD2 LEU 21 -6.552 -4.255 -9.093 174 3HD2 LEU 21 3HD2 LEU 21 -6.541 -5.234 -7.671 175 H THR 22 H THR 22 -7.847 -6.019 -5.255 176 HA THR 22 HA THR 22 -5.943 -8.279 -5.216 177 HB THR 22 HB THR 22 -9.038 -8.311 -5.272 178 HG1 THR 22 HG1 THR 22 -6.974 -8.132 -3.380 179 1HG2 THR 22 1HG2 THR 22 -7.034 -10.454 -4.350 180 2HG2 THR 22 3HG2 THR 22 -8.776 -10.593 -4.361 181 3HG2 THR 22 2HG2 THR 22 -7.884 -10.559 -5.868 182 H ILE 23 H ILE 23 -5.044 -7.767 -7.195 183 HA ILE 23 HA ILE 23 -6.503 -8.185 -9.668 184 HB ILE 23 HB ILE 23 -4.083 -8.067 -10.724 185 1HG1 ILE 23 2HG1 ILE 23 -3.337 -6.912 -8.069 186 2HG1 ILE 23 1HG1 ILE 23 -3.281 -8.631 -8.223 187 1HG2 ILE 23 1HG2 ILE 23 -5.765 -6.253 -10.737 188 2HG2 ILE 23 3HG2 ILE 23 -5.244 -5.856 -9.131 189 3HG2 ILE 23 2HG2 ILE 23 -4.139 -5.646 -10.480 190 1HD1 ILE 23 1HD1 ILE 23 -1.772 -6.726 -10.071 191 2HD1 ILE 23 3HD1 ILE 23 -1.086 -7.702 -8.791 192 3HD1 ILE 23 2HD1 ILE 23 -1.784 -8.480 -10.192 193 H LYS 24 H LYS 24 -5.141 -9.457 -11.378 194 HA LYS 24 HA LYS 24 -4.781 -12.131 -10.266 195 1HB LYS 24 2HB LYS 24 -5.189 -11.483 -13.271 196 2HB LYS 24 1HB LYS 24 -5.613 -12.989 -12.499 197 1HG LYS 24 2HG LYS 24 -7.180 -10.401 -12.507 198 2HG LYS 24 1HG LYS 24 -7.675 -11.989 -12.941 199 1HD LYS 24 2HD LYS 24 -7.837 -12.797 -10.741 200 2HD LYS 24 1HD LYS 24 -6.891 -11.526 -10.050 201 1HE LYS 24 2HE LYS 24 -9.666 -11.092 -11.175 202 2HE LYS 24 1HE LYS 24 -9.276 -11.279 -9.460 203 1HZ LYS 24 1HZ LYS 24 -7.521 -9.391 -10.721 204 2HZ LYS 24 3HZ LYS 24 -9.040 -8.856 -10.938 205 3HZ LYS 24 2HZ LYS 24 -8.488 -9.142 -9.382 206 HA PRO 25 HA PRO 25 -0.751 -12.418 -10.643 207 1HB PRO 25 2HB PRO 25 0.020 -14.775 -11.609 208 2HB PRO 25 1HB PRO 25 -1.246 -14.701 -10.384 209 1HG PRO 25 2HG PRO 25 -1.588 -14.760 -13.437 210 2HG PRO 25 1HG PRO 25 -2.263 -15.904 -12.271 211 1HD PRO 25 2HD PRO 25 -3.723 -13.754 -13.150 212 2HD PRO 25 1HD PRO 25 -3.864 -14.311 -11.457 213 H GLY 26 H GLY 26 -0.296 -10.479 -11.946 214 1HA GLY 26 2HA GLY 26 1.928 -9.922 -13.128 215 2HA GLY 26 1HA GLY 26 1.585 -11.203 -14.234 216 H ASP 27 H ASP 27 -0.669 -8.780 -13.255 217 HA ASP 27 HA ASP 27 -0.785 -7.852 -16.092 218 1HB ASP 27 2HB ASP 27 -2.766 -8.875 -14.880 219 2HB ASP 27 1HB ASP 27 -2.725 -7.501 -13.784 220 H THR 28 H THR 28 -0.611 -5.772 -16.607 221 HA THR 28 HA THR 28 1.256 -4.083 -15.332 222 HB THR 28 HB THR 28 -0.693 -3.114 -17.369 223 HG1 THR 28 HG1 THR 28 1.163 -5.205 -17.380 224 1HG2 THR 28 1HG2 THR 28 2.331 -2.743 -16.942 225 2HG2 THR 28 3HG2 THR 28 1.348 -1.983 -18.179 226 3HG2 THR 28 2HG2 THR 28 1.152 -1.511 -16.501 227 H VAL 29 H VAL 29 -0.251 -4.103 -13.209 228 HA VAL 29 HA VAL 29 -1.951 -1.760 -12.973 229 HB VAL 29 HB VAL 29 -0.470 -3.139 -10.695 230 1HG1 VAL 29 1HG1 VAL 29 -3.107 -1.590 -10.807 231 2HG1 VAL 29 3HG1 VAL 29 -2.431 -2.323 -9.363 232 3HG1 VAL 29 2HG1 VAL 29 -1.608 -0.984 -10.134 233 1HG2 VAL 29 1HG2 VAL 29 -1.778 -4.814 -12.047 234 2HG2 VAL 29 3HG2 VAL 29 -2.455 -4.561 -10.454 235 3HG2 VAL 29 2HG2 VAL 29 -3.219 -3.817 -11.855 236 H GLU 30 H GLU 30 -1.387 0.303 -12.537 237 HA GLU 30 HA GLU 30 1.433 0.994 -12.149 238 1HB GLU 30 2HB GLU 30 0.708 1.559 -14.295 239 2HB GLU 30 1HB GLU 30 -0.737 2.306 -13.675 240 1HG GLU 30 2HG GLU 30 0.579 4.125 -12.591 241 2HG GLU 30 1HG GLU 30 2.084 3.329 -13.033 242 H PHE 31 H PHE 31 2.074 2.398 -10.740 243 HA PHE 31 HA PHE 31 0.160 3.656 -8.796 244 1HB PHE 31 2HB PHE 31 3.093 3.275 -8.153 245 2HB PHE 31 1HB PHE 31 1.731 3.341 -7.072 246 HD1 PHE 31 HD2 PHE 31 0.090 1.136 -8.790 247 HD2 PHE 31 HD1 PHE 31 3.972 1.362 -7.071 248 HE1 PHE 31 HE2 PHE 31 0.169 -1.302 -8.639 249 HE2 PHE 31 HE1 PHE 31 4.046 -1.071 -6.905 250 HZ PHE 31 HZ PHE 31 2.147 -2.404 -7.685 251 H LEU 32 H LEU 32 -0.127 5.817 -9.699 252 HA LEU 32 HA LEU 32 2.351 7.315 -10.226 253 1HB LEU 32 2HB LEU 32 1.277 8.415 -11.962 254 2HB LEU 32 1HB LEU 32 0.809 6.734 -12.067 255 HG LEU 32 HG LEU 32 -1.343 7.459 -10.791 256 1HD1 LEU 32 3HD1 LEU 32 -0.497 9.850 -10.393 257 2HD1 LEU 32 2HD1 LEU 32 -0.378 10.051 -12.119 258 3HD1 LEU 32 1HD1 LEU 32 -1.941 9.857 -11.367 259 1HD2 LEU 32 2HD2 LEU 32 -1.124 6.647 -13.165 260 2HD2 LEU 32 1HD2 LEU 32 -2.310 7.938 -13.082 261 3HD2 LEU 32 3HD2 LEU 32 -0.693 8.258 -13.669 262 H ASN 33 H ASN 33 2.732 9.260 -9.352 263 HA ASN 33 HA ASN 33 1.163 10.032 -6.967 264 1HB ASN 33 2HB ASN 33 2.970 11.708 -6.617 265 2HB ASN 33 1HB ASN 33 3.610 10.111 -6.918 266 1HD2 ASN 33 2HD2 ASN 33 4.368 12.192 -10.151 267 2HD2 ASN 33 1HD2 ASN 33 2.796 11.547 -9.923 268 H ASN 34 H ASN 34 -0.693 10.392 -8.152 269 HA ASN 34 HA ASN 34 -2.000 11.785 -9.813 270 1HB ASN 34 2HB ASN 34 -2.595 11.351 -7.245 271 2HB ASN 34 1HB ASN 34 -2.342 13.070 -7.072 272 1HD2 ASN 34 2HD2 ASN 34 -5.848 12.141 -8.160 273 2HD2 ASN 34 1HD2 ASN 34 -4.815 11.162 -7.210 274 H LYS 35 H LYS 35 -0.403 13.915 -7.594 275 HA LYS 35 HA LYS 35 0.890 15.691 -9.355 276 1HB LYS 35 2HB LYS 35 -0.717 17.684 -9.324 277 2HB LYS 35 1HB LYS 35 -1.237 16.354 -10.317 278 1HG LYS 35 2HG LYS 35 -2.312 15.855 -7.673 279 2HG LYS 35 1HG LYS 35 -2.538 17.567 -7.978 280 1HD LYS 35 2HD LYS 35 -3.688 17.099 -10.121 281 2HD LYS 35 1HD LYS 35 -3.272 15.398 -10.015 282 1HE LYS 35 2HE LYS 35 -4.603 15.367 -7.828 283 2HE LYS 35 1HE LYS 35 -5.264 16.926 -8.314 284 1HZ LYS 35 3HZ LYS 35 -5.318 15.114 -10.533 285 2HZ LYS 35 2HZ LYS 35 -5.929 14.370 -9.198 286 3HZ LYS 35 1HZ LYS 35 -6.677 15.743 -9.667 287 H VAL 36 H VAL 36 0.760 14.641 -6.664 288 HA VAL 36 HA VAL 36 1.900 16.949 -5.165 289 HB VAL 36 HB VAL 36 0.661 16.055 -3.074 290 1HG1 VAL 36 1HG1 VAL 36 -0.009 18.157 -4.296 291 2HG1 VAL 36 3HG1 VAL 36 -1.000 17.210 -5.383 292 3HG1 VAL 36 2HG1 VAL 36 -1.410 17.308 -3.679 293 1HG2 VAL 36 2HG2 VAL 36 -0.090 13.902 -4.104 294 2HG2 VAL 36 1HG2 VAL 36 -1.432 14.872 -3.535 295 3HG2 VAL 36 3HG2 VAL 36 -1.089 14.792 -5.250 296 HA PRO 37 HA PRO 37 4.653 13.466 -4.198 297 1HB PRO 37 2HB PRO 37 6.976 14.621 -4.676 298 2HB PRO 37 1HB PRO 37 5.783 14.512 -5.980 299 1HG PRO 37 2HG PRO 37 6.403 16.885 -4.136 300 2HG PRO 37 1HG PRO 37 6.193 16.902 -5.884 301 1HD PRO 37 2HD PRO 37 4.118 17.396 -3.916 302 2HD PRO 37 1HD PRO 37 3.875 17.132 -5.665 303 HA PRO 38 HA PRO 38 6.458 12.559 -3.806 304 1HB PRO 38 2HB PRO 38 8.907 11.850 -2.918 305 2HB PRO 38 1HB PRO 38 8.629 13.306 -3.845 306 1HG PRO 38 2HG PRO 38 9.272 13.115 -0.915 307 2HG PRO 38 1HG PRO 38 9.230 14.578 -1.894 308 1HD PRO 38 2HD PRO 38 7.031 13.426 -0.159 309 2HD PRO 38 1HD PRO 38 7.232 15.106 -0.705 310 H HIS 39 HN HIP 39 6.563 10.455 -3.987 311 HA HIS 39 HA HIP 39 5.947 8.835 -1.544 312 1HB HIS 39 2HB HIP 39 4.835 8.352 -4.262 313 2HB HIS 39 1HB HIP 39 4.350 7.564 -2.789 314 HD2 HIS 39 HD2 HIP 39 3.924 10.720 -4.823 315 HE1 HIS 39 HE1 HIP 39 1.684 11.450 -1.407 316 HE2 HIS 39 HE2 HIP 39 2.278 12.194 -3.674 317 H ASN 40 H ASN 40 7.095 7.248 -0.945 318 HA ASN 40 HA ASN 40 8.891 5.653 -2.735 319 1HB ASN 40 2HB ASN 40 10.093 6.891 -1.012 320 2HB ASN 40 1HB ASN 40 9.026 6.315 0.232 321 1HD2 ASN 40 2HD2 ASN 40 11.074 3.508 0.706 322 2HD2 ASN 40 1HD2 ASN 40 9.991 4.586 1.431 323 H VAL 41 H VAL 41 7.158 3.996 -3.288 324 HA VAL 41 HA VAL 41 5.783 2.890 -0.891 325 HB VAL 41 HB VAL 41 4.196 2.051 -2.169 326 1HG1 VAL 41 2HG1 VAL 41 5.002 4.652 -3.584 327 2HG1 VAL 41 1HG1 VAL 41 3.411 3.953 -3.739 328 3HG1 VAL 41 3HG1 VAL 41 3.966 4.523 -2.173 329 1HG2 VAL 41 3HG2 VAL 41 5.954 2.239 -4.585 330 2HG2 VAL 41 2HG2 VAL 41 5.166 0.837 -3.904 331 3HG2 VAL 41 1HG2 VAL 41 4.221 2.007 -4.771 332 H VAL 42 H VAL 42 6.486 1.297 0.048 333 HA VAL 42 HA VAL 42 8.181 -0.681 -1.421 334 HB VAL 42 HB VAL 42 8.162 -0.093 1.549 335 1HG1 VAL 42 1HG1 VAL 42 10.203 -1.465 -0.239 336 2HG1 VAL 42 3HG1 VAL 42 10.374 -1.138 1.479 337 3HG1 VAL 42 2HG1 VAL 42 9.154 -2.271 0.936 338 1HG2 VAL 42 3HG2 VAL 42 9.982 1.040 -0.647 339 2HG2 VAL 42 2HG2 VAL 42 8.827 1.962 0.288 340 3HG2 VAL 42 1HG2 VAL 42 10.216 1.267 1.083 341 H PHE 43 H PHE 43 7.985 -2.723 -1.232 342 HA PHE 43 HA PHE 43 5.469 -3.955 -0.321 343 1HB PHE 43 2HB PHE 43 7.515 -4.408 -2.384 344 2HB PHE 43 1HB PHE 43 7.070 -5.869 -1.559 345 HD1 PHE 43 HD2 PHE 43 3.969 -4.707 -1.381 346 HD2 PHE 43 HD1 PHE 43 6.881 -5.533 -4.369 347 HE1 PHE 43 HE2 PHE 43 2.214 -5.042 -3.003 348 HE2 PHE 43 HE1 PHE 43 5.125 -5.874 -6.003 349 HZ PHE 43 HZ PHE 43 2.750 -5.640 -5.329 350 H ASP 44 H ASP 44 5.739 -4.234 1.791 351 HA ASP 44 HA ASP 44 7.803 -4.382 3.468 352 1HB ASP 44 2HB ASP 44 5.155 -4.773 3.756 353 2HB ASP 44 1HB ASP 44 5.639 -6.451 3.897 354 H ALA 45 H ALA 45 8.205 -6.196 5.036 355 HA ALA 45 HA ALA 45 9.920 -8.214 3.764 356 1HB ALA 45 3HB ALA 45 11.096 -6.451 5.063 357 2HB ALA 45 2HB ALA 45 10.113 -6.818 6.472 358 3HB ALA 45 1HB ALA 45 11.294 -7.992 5.896 359 H ALA 46 H ALA 46 7.545 -7.735 6.191 360 HA ALA 46 HA ALA 46 7.344 -10.651 6.805 361 1HB ALA 46 3HB ALA 46 6.502 -8.167 8.358 362 2HB ALA 46 2HB ALA 46 6.278 -9.813 8.937 363 3HB ALA 46 1HB ALA 46 7.900 -9.170 8.703 364 H LEU 47 H LEU 47 5.422 -7.816 5.987 365 HA LEU 47 HA LEU 47 2.907 -9.370 5.694 366 1HB LEU 47 2HB LEU 47 3.672 -6.445 5.321 367 2HB LEU 47 1HB LEU 47 2.066 -7.028 4.944 368 HG LEU 47 HG LEU 47 1.788 -7.723 7.350 369 1HD1 LEU 47 1HD1 LEU 47 4.443 -6.245 7.676 370 2HD1 LEU 47 3HD1 LEU 47 3.427 -6.795 8.996 371 3HD1 LEU 47 2HD1 LEU 47 4.209 -7.959 7.956 372 1HD2 LEU 47 2HD2 LEU 47 1.058 -5.467 6.505 373 2HD2 LEU 47 1HD2 LEU 47 1.611 -5.359 8.173 374 3HD2 LEU 47 3HD2 LEU 47 2.657 -4.838 6.865 375 H ASN 48 H ASN 48 4.595 -10.446 4.159 376 HA ASN 48 HA ASN 48 3.653 -9.978 1.376 377 1HB ASN 48 2HB ASN 48 6.229 -10.360 0.707 378 2HB ASN 48 1HB ASN 48 5.700 -8.782 1.291 379 1HD2 ASN 48 2HD2 ASN 48 8.213 -10.833 3.569 380 2HD2 ASN 48 1HD2 ASN 48 7.620 -11.581 2.148 381 HA PRO 49 HA PRO 49 1.672 -12.699 2.614 382 1HB PRO 49 2HB PRO 49 1.195 -14.888 0.867 383 2HB PRO 49 1HB PRO 49 0.480 -13.299 0.706 384 1HG PRO 49 2HG PRO 49 3.063 -14.304 -0.617 385 2HG PRO 49 1HG PRO 49 1.704 -13.498 -1.388 386 1HD PRO 49 2HD PRO 49 3.800 -12.017 -0.743 387 2HD PRO 49 1HD PRO 49 2.208 -11.386 -0.267 388 H ALA 50 H ALA 50 3.743 -15.060 1.171 389 HA ALA 50 HA ALA 50 3.875 -16.695 3.653 390 1HB ALA 50 2HB ALA 50 3.514 -17.760 1.374 391 2HB ALA 50 1HB ALA 50 5.045 -17.081 0.836 392 3HB ALA 50 3HB ALA 50 5.028 -18.311 2.083 393 H LYS 51 H LYS 51 4.762 -14.595 4.391 394 HA LYS 51 HA LYS 51 6.579 -13.065 4.868 395 1HB LYS 51 2HB LYS 51 7.308 -15.828 5.912 396 2HB LYS 51 1HB LYS 51 8.000 -14.337 6.527 397 1HG LYS 51 2HG LYS 51 5.696 -13.499 7.090 398 2HG LYS 51 1HG LYS 51 5.003 -14.990 6.482 399 1HD LYS 51 2HD LYS 51 6.302 -16.305 8.175 400 2HD LYS 51 1HD LYS 51 6.995 -14.813 8.802 401 1HE LYS 51 2HE LYS 51 4.716 -13.989 9.365 402 2HE LYS 51 1HE LYS 51 4.021 -15.483 8.737 403 1HZ LYS 51 3HZ LYS 51 6.134 -16.167 10.504 404 2HZ LYS 51 2HZ LYS 51 5.154 -15.059 11.321 405 3HZ LYS 51 1HZ LYS 51 4.490 -16.495 10.717 406 H SER 52 H SER 52 6.908 -13.536 2.377 407 HA SER 52 HA SER 52 9.596 -14.520 1.622 408 1HB SER 52 2HB SER 52 7.586 -12.982 -0.094 409 2HB SER 52 1HB SER 52 8.912 -13.998 -0.669 410 HG SER 52 HG SER 52 7.441 -15.423 1.128 411 H ALA 53 H ALA 53 10.284 -12.946 3.335 412 HA ALA 53 HA ALA 53 10.484 -10.190 3.091 413 1HB ALA 53 3HB ALA 53 12.581 -12.211 4.041 414 2HB ALA 53 2HB ALA 53 12.605 -10.511 4.475 415 3HB ALA 53 1HB ALA 53 11.286 -11.538 5.021 416 H ASP 54 H ASP 54 11.889 -8.796 2.443 417 HA ASP 54 HA ASP 54 13.170 -7.521 1.029 418 1HB ASP 54 2HB ASP 54 14.975 -9.249 1.718 419 2HB ASP 54 1HB ASP 54 14.623 -10.105 0.215 420 H LEU 55 H LEU 55 12.666 -10.530 -0.646 421 HA LEU 55 HA LEU 55 12.531 -9.973 -3.334 422 1HB LEU 55 2HB LEU 55 11.848 -12.180 -2.502 423 2HB LEU 55 1HB LEU 55 10.464 -11.530 -1.682 424 HG LEU 55 HG LEU 55 10.014 -12.867 -3.871 425 1HD1 LEU 55 3HD1 LEU 55 8.252 -11.305 -2.936 426 2HD1 LEU 55 2HD1 LEU 55 8.892 -10.006 -3.925 427 3HD1 LEU 55 1HD1 LEU 55 8.222 -11.416 -4.678 428 1HD2 LEU 55 2HD2 LEU 55 11.820 -11.825 -5.242 429 2HD2 LEU 55 1HD2 LEU 55 10.247 -11.613 -5.984 430 3HD2 LEU 55 3HD2 LEU 55 11.001 -10.275 -5.152 431 H ALA 56 H ALA 56 9.794 -9.576 -1.307 432 HA ALA 56 HA ALA 56 8.091 -8.048 -2.946 433 1HB ALA 56 1HB ALA 56 7.551 -9.200 -0.784 434 2HB ALA 56 3HB ALA 56 8.532 -8.048 0.092 435 3HB ALA 56 2HB ALA 56 7.029 -7.544 -0.634 436 H LYS 57 H LYS 57 10.190 -6.625 -0.448 437 HA LYS 57 HA LYS 57 9.861 -3.960 -1.407 438 1HB LYS 57 2HB LYS 57 10.754 -4.340 0.876 439 2HB LYS 57 1HB LYS 57 11.876 -5.548 0.336 440 1HG LYS 57 2HG LYS 57 12.544 -2.801 -0.668 441 2HG LYS 57 1HG LYS 57 12.508 -2.927 1.068 442 1HD LYS 57 2HD LYS 57 14.811 -3.473 0.385 443 2HD LYS 57 1HD LYS 57 14.074 -4.942 0.973 444 1HE LYS 57 2HE LYS 57 13.702 -5.761 -1.246 445 2HE LYS 57 1HE LYS 57 14.255 -4.257 -1.976 446 1HZ LYS 57 1HZ LYS 57 16.157 -5.444 -0.084 447 2HZ LYS 57 3HZ LYS 57 15.724 -6.453 -1.233 448 3HZ LYS 57 2HZ LYS 57 16.423 -5.064 -1.758 449 H SER 58 H SER 58 12.028 -6.281 -2.511 450 HA SER 58 HA SER 58 13.667 -4.470 -4.143 451 1HB SER 58 2HB SER 58 13.126 -7.493 -4.252 452 2HB SER 58 1HB SER 58 14.242 -6.683 -5.373 453 HG SER 58 HG SER 58 14.812 -7.351 -2.869 454 H LEU 59 H LEU 59 10.910 -6.504 -4.611 455 HA LEU 59 HA LEU 59 10.167 -5.908 -7.253 456 1HB LEU 59 2HB LEU 59 9.538 -7.919 -6.000 457 2HB LEU 59 1HB LEU 59 8.551 -6.985 -4.918 458 HG LEU 59 HG LEU 59 7.119 -6.272 -6.885 459 1HD1 LEU 59 1HD1 LEU 59 8.792 -8.383 -8.318 460 2HD1 LEU 59 3HD1 LEU 59 7.362 -7.585 -8.964 461 3HD1 LEU 59 2HD1 LEU 59 8.811 -6.660 -8.666 462 1HD2 LEU 59 3HD2 LEU 59 7.473 -9.276 -6.426 463 2HD2 LEU 59 2HD2 LEU 59 6.519 -8.208 -5.415 464 3HD2 LEU 59 1HD2 LEU 59 6.028 -8.514 -7.067 465 H SER 60 H SER 60 8.748 -4.259 -4.211 466 HA SER 60 HA SER 60 6.983 -2.725 -6.077 467 1HB SER 60 2HB SER 60 6.345 -2.986 -3.659 468 2HB SER 60 1HB SER 60 7.722 -1.947 -3.221 469 HG SER 60 HG SER 60 6.564 -0.332 -3.896 470 H HIS 61 H HIS 61 7.315 0.027 -5.564 471 HA HIS 61 HA HIS 61 10.043 0.353 -6.794 472 1HB HIS 61 2HB HIS 61 9.286 2.368 -7.749 473 2HB HIS 61 1HB HIS 61 7.957 1.275 -7.815 474 HD1 HIS 61 HD1 HIS 61 8.875 4.035 -5.389 475 HD2 HIS 61 HD2 HIS 61 5.661 2.533 -7.370 476 HE1 HIS 61 HE1 HIS 61 6.961 5.479 -4.820 477 H LYS 62 H LYS 62 10.915 2.729 -6.197 478 HA LYS 62 HA LYS 62 11.287 2.778 -3.199 479 1HB LYS 62 2HB LYS 62 13.203 3.049 -5.501 480 2HB LYS 62 1HB LYS 62 13.536 3.871 -4.016 481 1HG LYS 62 2HG LYS 62 14.718 1.617 -4.058 482 2HG LYS 62 1HG LYS 62 13.737 1.932 -2.666 483 1HD LYS 62 2HD LYS 62 13.449 -0.399 -3.234 484 2HD LYS 62 1HD LYS 62 11.940 0.399 -3.518 485 1HE LYS 62 2HE LYS 62 12.317 0.350 -5.937 486 2HE LYS 62 1HE LYS 62 13.944 -0.272 -5.702 487 1HZ LYS 62 3HZ LYS 62 12.119 -2.002 -4.278 488 2HZ LYS 62 2HZ LYS 62 11.500 -1.762 -5.754 489 3HZ LYS 62 1HZ LYS 62 12.981 -2.414 -5.659 490 H GLN 63 H GLN 63 12.728 5.173 -2.990 491 HA GLN 63 HA GLN 63 10.514 6.914 -3.283 492 1HB GLN 63 2HB GLN 63 12.127 7.095 -1.339 493 2HB GLN 63 1HB GLN 63 13.396 7.533 -2.457 494 1HG GLN 63 2HG GLN 63 12.077 9.510 -1.177 495 2HG GLN 63 1HG GLN 63 12.559 9.732 -2.842 496 1HE2 GLN 63 2HE2 GLN 63 9.276 10.138 -3.885 497 2HE2 GLN 63 1HE2 GLN 63 10.947 10.269 -4.245 498 H LEU 64 H LEU 64 10.144 6.853 -5.436 499 HA LEU 64 HA LEU 64 11.738 8.812 -7.069 500 1HB LEU 64 2HB LEU 64 11.496 7.414 -8.934 501 2HB LEU 64 1HB LEU 64 11.831 6.326 -7.612 502 HG LEU 64 HG LEU 64 9.037 6.492 -7.488 503 1HD1 LEU 64 1HD1 LEU 64 9.930 6.571 -10.402 504 2HD1 LEU 64 3HD1 LEU 64 8.295 6.294 -9.843 505 3HD1 LEU 64 2HD1 LEU 64 9.058 7.853 -9.594 506 1HD2 LEU 64 3HD2 LEU 64 10.683 4.587 -9.123 507 2HD2 LEU 64 2HD2 LEU 64 10.383 4.488 -7.380 508 3HD2 LEU 64 1HD2 LEU 64 9.040 4.349 -8.522 509 H LEU 65 H LEU 65 8.404 8.183 -5.982 510 HA LEU 65 HA LEU 65 7.262 9.777 -8.170 511 1HB LEU 65 2HB LEU 65 6.370 8.305 -5.721 512 2HB LEU 65 1HB LEU 65 5.392 9.696 -6.127 513 HG LEU 65 HG LEU 65 5.025 8.729 -8.430 514 1HD1 LEU 65 3HD1 LEU 65 6.661 6.400 -7.344 515 2HD1 LEU 65 2HD1 LEU 65 5.833 6.447 -8.890 516 3HD1 LEU 65 1HD1 LEU 65 7.157 7.538 -8.579 517 1HD2 LEU 65 2HD2 LEU 65 4.551 6.702 -6.197 518 2HD2 LEU 65 1HD2 LEU 65 3.473 8.038 -6.588 519 3HD2 LEU 65 3HD2 LEU 65 3.721 6.748 -7.740 520 H MET 66 H MET 66 8.736 11.472 -8.007 521 HA MET 66 HA MET 66 8.318 13.422 -5.770 522 1HB MET 66 2HB MET 66 10.659 13.156 -7.705 523 2HB MET 66 1HB MET 66 10.556 14.339 -6.422 524 1HG MET 66 2HG MET 66 10.359 12.474 -4.762 525 2HG MET 66 1HG MET 66 10.552 11.322 -6.053 526 1HE MET 66 2HE MET 66 12.307 11.109 -7.498 527 2HE MET 66 1HE MET 66 13.940 11.700 -7.335 528 3HE MET 66 3HE MET 66 13.415 10.295 -6.391 529 H SER 67 H SER 67 7.978 13.273 -9.184 530 HA SER 67 HA SER 67 7.319 16.216 -9.211 531 1HB SER 67 2HB SER 67 9.111 15.614 -10.767 532 2HB SER 67 1HB SER 67 8.053 14.450 -11.576 533 HG SER 67 HG SER 67 7.068 16.145 -12.531 534 HA PRO 68 HA PRO 68 3.107 15.245 -9.260 535 1HB PRO 68 2HB PRO 68 2.086 17.253 -10.964 536 2HB PRO 68 1HB PRO 68 2.512 17.509 -9.267 537 1HG PRO 68 2HG PRO 68 4.308 17.889 -11.731 538 2HG PRO 68 1HG PRO 68 3.979 19.070 -10.454 539 1HD PRO 68 2HD PRO 68 6.205 17.663 -10.261 540 2HD PRO 68 1HD PRO 68 5.188 17.686 -8.798 541 H GLY 69 H GLY 69 1.935 13.683 -10.157 542 1HA GLY 69 2HA GLY 69 0.780 12.581 -11.980 543 2HA GLY 69 1HA GLY 69 1.801 13.407 -13.129 544 H GLN 70 H GLN 70 4.240 12.723 -12.421 545 HA GLN 70 HA GLN 70 5.027 10.495 -13.696 546 1HB GLN 70 2HB GLN 70 6.087 11.272 -10.949 547 2HB GLN 70 1HB GLN 70 6.963 10.309 -12.125 548 1HG GLN 70 2HG GLN 70 6.205 13.291 -12.371 549 2HG GLN 70 1HG GLN 70 7.784 12.551 -12.504 550 1HE2 GLN 70 2HE2 GLN 70 5.713 13.143 -15.770 551 2HE2 GLN 70 1HE2 GLN 70 5.181 13.774 -14.272 552 H SER 71 H SER 71 4.802 8.435 -13.839 553 HA SER 71 HA SER 71 3.621 6.900 -11.594 554 1HB SER 71 2HB SER 71 2.459 5.597 -13.216 555 2HB SER 71 1HB SER 71 2.191 7.313 -13.544 556 HG SER 71 HG SER 71 3.220 5.618 -15.187 557 H THR 72 H THR 72 3.789 4.860 -11.314 558 HA THR 72 HA THR 72 6.330 3.423 -12.071 559 HB THR 72 HB THR 72 4.662 3.158 -9.533 560 HG1 THR 72 HG1 THR 72 6.450 4.114 -8.740 561 1HG2 THR 72 1HG2 THR 72 5.629 0.888 -10.417 562 2HG2 THR 72 3HG2 THR 72 7.198 1.679 -10.431 563 3HG2 THR 72 2HG2 THR 72 6.338 1.425 -8.925 564 H SER 73 H SER 73 5.287 2.354 -14.021 565 HA SER 73 HA SER 73 2.829 0.770 -13.517 566 1HB SER 73 2HB SER 73 3.692 0.367 -16.215 567 2HB SER 73 1HB SER 73 2.392 1.428 -15.663 568 HG SER 73 HG SER 73 3.634 3.073 -15.761 569 H THR 74 H THR 74 2.970 -1.189 -12.718 570 HA THR 74 HA THR 74 5.196 -2.994 -13.607 571 HB THR 74 HB THR 74 5.611 -2.751 -11.289 572 HG1 THR 74 HG1 THR 74 3.871 -4.741 -10.755 573 1HG2 THR 74 2HG2 THR 74 2.610 -3.105 -10.868 574 2HG2 THR 74 1HG2 THR 74 3.817 -2.911 -9.597 575 3HG2 THR 74 3HG2 THR 74 3.451 -1.589 -10.687 576 H THR 75 H THR 75 4.798 -4.857 -14.419 577 HA THR 75 HA THR 75 1.960 -5.877 -14.457 578 HB THR 75 HB THR 75 3.146 -5.143 -16.682 579 HG1 THR 75 HG1 THR 75 1.966 -7.736 -16.363 580 1HG2 THR 75 2HG2 THR 75 5.146 -6.831 -16.463 581 2HG2 THR 75 1HG2 THR 75 3.958 -8.108 -16.597 582 3HG2 THR 75 3HG2 THR 75 4.145 -6.973 -17.897 583 H PHE 76 H PHE 76 3.987 -6.337 -12.468 584 HA PHE 76 HA PHE 76 5.327 -7.956 -11.437 585 1HB PHE 76 2HB PHE 76 2.545 -9.124 -11.261 586 2HB PHE 76 1HB PHE 76 3.787 -9.226 -10.029 587 HD1 PHE 76 HD1 PHE 76 1.606 -6.902 -11.890 588 HD2 PHE 76 HD2 PHE 76 4.034 -7.430 -8.435 589 HE1 PHE 76 HE1 PHE 76 0.765 -4.816 -11.000 590 HE2 PHE 76 HE2 PHE 76 3.179 -5.306 -7.523 591 HZ PHE 76 HZ PHE 76 1.530 -4.005 -8.809 592 HA PRO 77 HA PRO 77 6.658 -11.568 -13.520 593 1HB PRO 77 2HB PRO 77 7.680 -13.066 -11.429 594 2HB PRO 77 1HB PRO 77 8.520 -11.658 -12.084 595 1HG PRO 77 2HG PRO 77 6.519 -11.733 -9.748 596 2HG PRO 77 1HG PRO 77 8.170 -11.099 -9.687 597 1HD PRO 77 2HD PRO 77 6.188 -9.356 -10.100 598 2HD PRO 77 1HD PRO 77 7.573 -9.243 -11.220 599 H ALA 78 H ALA 78 5.041 -12.577 -14.355 600 HA ALA 78 HA ALA 78 2.693 -13.594 -13.922 601 1HB ALA 78 1HB ALA 78 4.018 -14.080 -15.943 602 2HB ALA 78 3HB ALA 78 4.974 -15.261 -15.049 603 3HB ALA 78 2HB ALA 78 3.273 -15.568 -15.371 604 H ASP 79 H ASP 79 5.323 -15.291 -12.476 605 HA ASP 79 HA ASP 79 4.193 -17.595 -11.426 606 1HB ASP 79 2HB ASP 79 6.313 -15.768 -10.075 607 2HB ASP 79 1HB ASP 79 6.294 -17.522 -10.026 608 H ALA 80 H ALA 80 4.139 -14.478 -10.180 609 HA ALA 80 HA ALA 80 3.343 -14.137 -7.715 610 1HB ALA 80 3HB ALA 80 3.297 -12.430 -9.451 611 2HB ALA 80 2HB ALA 80 1.837 -13.132 -10.128 612 3HB ALA 80 1HB ALA 80 1.782 -12.357 -8.545 613 HA PRO 81 HA PRO 81 -0.486 -16.446 -6.867 614 1HB PRO 81 2HB PRO 81 0.278 -18.297 -5.219 615 2HB PRO 81 1HB PRO 81 0.851 -18.360 -6.885 616 1HG PRO 81 2HG PRO 81 2.378 -17.230 -4.450 617 2HG PRO 81 1HG PRO 81 2.989 -18.368 -5.658 618 1HD PRO 81 2HD PRO 81 3.288 -15.517 -5.796 619 2HD PRO 81 1HD PRO 81 3.507 -16.630 -7.166 620 H ALA 82 H ALA 82 -1.481 -16.842 -4.722 621 HA ALA 82 HA ALA 82 -2.759 -15.257 -3.273 622 1HB ALA 82 2HB ALA 82 -0.626 -16.934 -1.881 623 2HB ALA 82 1HB ALA 82 -2.094 -16.365 -1.089 624 3HB ALA 82 3HB ALA 82 -2.189 -17.500 -2.435 625 H GLY 83 H GLY 83 -1.582 -13.459 -4.239 626 1HA GLY 83 2HA GLY 83 0.519 -12.028 -3.265 627 2HA GLY 83 1HA GLY 83 -0.782 -11.277 -4.110 628 H GLU 84 H GLU 84 -0.450 -12.334 -0.667 629 HA GLU 84 HA GLU 84 -1.490 -9.627 -0.040 630 1HB GLU 84 2HB GLU 84 -2.254 -11.389 1.442 631 2HB GLU 84 1HB GLU 84 -0.641 -12.024 1.702 632 1HG GLU 84 2HG GLU 84 -1.547 -10.591 3.633 633 2HG GLU 84 1HG GLU 84 0.018 -10.093 3.044 634 H TYR 85 H TYR 85 0.148 -8.645 -1.205 635 HA TYR 85 HA TYR 85 2.845 -8.374 0.083 636 1HB TYR 85 2HB TYR 85 1.987 -7.286 -2.642 637 2HB TYR 85 1HB TYR 85 3.622 -7.459 -2.071 638 HD1 TYR 85 HD2 TYR 85 4.434 -9.982 -1.720 639 HD2 TYR 85 HD1 TYR 85 1.098 -8.816 -4.054 640 HE1 TYR 85 HE2 TYR 85 4.551 -12.123 -3.010 641 HE2 TYR 85 HE1 TYR 85 1.250 -10.927 -5.323 642 HH TYR 85 HH TYR 85 2.105 -13.279 -4.801 643 H THR 86 H THR 86 2.248 -6.976 1.750 644 HA THR 86 HA THR 86 0.639 -4.604 1.278 645 HB THR 86 HB THR 86 2.520 -5.226 3.619 646 HG1 THR 86 HG1 THR 86 0.451 -6.438 2.968 647 1HG2 THR 86 1HG2 THR 86 1.769 -2.710 3.296 648 2HG2 THR 86 3HG2 THR 86 0.126 -3.279 3.322 649 3HG2 THR 86 2HG2 THR 86 1.143 -3.479 4.739 650 H PHE 87 H PHE 87 1.202 -3.337 -0.138 651 HA PHE 87 HA PHE 87 3.853 -2.185 -0.509 652 1HB PHE 87 2HB PHE 87 3.208 -2.817 -2.558 653 2HB PHE 87 1HB PHE 87 1.551 -3.062 -2.091 654 HD1 PHE 87 HD2 PHE 87 3.075 0.340 -2.063 655 HD2 PHE 87 HD1 PHE 87 0.840 -2.556 -4.176 656 HE1 PHE 87 HE2 PHE 87 2.376 2.025 -3.643 657 HE2 PHE 87 HE1 PHE 87 0.125 -0.896 -5.769 658 HZ PHE 87 HZ PHE 87 0.891 1.451 -5.534 659 H TYR 88 H TYR 88 4.031 -0.638 1.039 660 HA TYR 88 HA TYR 88 1.904 1.409 1.262 661 1HB TYR 88 2HB TYR 88 2.868 1.834 3.546 662 2HB TYR 88 1HB TYR 88 2.160 0.246 3.303 663 HD1 TYR 88 HD2 TYR 88 5.476 2.019 3.262 664 HD2 TYR 88 HD1 TYR 88 3.433 -1.692 3.429 665 HE1 TYR 88 HE2 TYR 88 7.592 0.859 3.719 666 HE2 TYR 88 HE1 TYR 88 5.527 -2.817 3.879 667 HH TYR 88 HH TYR 88 7.527 -2.509 4.656 668 H CYS 89 H CYS 89 2.381 3.570 1.228 669 HA CYS 89 HA CYS 89 4.880 4.408 -0.106 670 1HB CYS 89 2HB CYS 89 2.620 5.288 -0.641 671 2HB CYS 89 1HB CYS 89 2.618 5.986 0.961 672 H GLU 90 H GLU 90 6.149 3.638 1.829 673 HA GLU 90 HA GLU 90 6.948 4.107 4.154 674 1HB GLU 90 2HB GLU 90 8.472 3.776 2.458 675 2HB GLU 90 1HB GLU 90 8.303 5.361 1.796 676 1HG GLU 90 2HG GLU 90 10.469 5.293 3.076 677 2HG GLU 90 1HG GLU 90 9.379 6.219 4.069 678 HA PRO 91 HA PRO 91 7.325 8.708 5.328 679 1HB PRO 91 2HB PRO 91 6.772 10.706 3.526 680 2HB PRO 91 1HB PRO 91 8.351 9.914 3.591 681 1HG PRO 91 2HG PRO 91 5.957 9.106 1.821 682 2HG PRO 91 1HG PRO 91 7.571 9.565 1.260 683 1HD PRO 91 2HD PRO 91 7.059 6.969 1.603 684 2HD PRO 91 1HD PRO 91 8.577 7.575 2.315 685 H HIS 92 HN HIP 92 4.795 7.666 3.460 686 HA HIS 92 HA HIP 92 2.665 8.964 5.118 687 1HB HIS 92 2HB HIP 92 2.385 7.979 2.247 688 2HB HIS 92 1HB HIP 92 1.323 9.079 3.108 689 HD2 HIS 92 HD2 HIP 92 3.491 11.280 4.158 690 HE1 HIS 92 HE1 HIP 92 4.539 11.625 0.127 691 HE2 HIS 92 HE2 HIP 92 4.633 12.640 2.346 692 H ARG 93 H ARG 93 3.847 6.485 5.916 693 HA ARG 93 HA ARG 93 2.124 4.283 5.071 694 1HB ARG 93 2HB ARG 93 4.146 4.601 7.290 695 2HB ARG 93 1HB ARG 93 3.205 3.128 7.197 696 1HG ARG 93 2HG ARG 93 4.013 2.866 4.800 697 2HG ARG 93 1HG ARG 93 5.028 4.252 5.040 698 1HD ARG 93 2HD ARG 93 5.189 1.618 6.611 699 2HD ARG 93 1HD ARG 93 6.332 2.165 5.396 700 HE ARG 93 HE ARG 93 5.976 3.582 8.045 701 1HH1 ARG 93 1HH2 ARG 93 6.954 5.550 6.891 702 2HH1 ARG 93 2HH2 ARG 93 8.651 5.275 6.702 703 1HH2 ARG 93 2HH1 ARG 93 8.286 1.908 6.999 704 2HH2 ARG 93 1HH1 ARG 93 9.383 3.200 6.635 705 H GLY 94 H GLY 94 0.682 3.083 6.127 706 1HA GLY 94 2HA GLY 94 -1.160 2.555 7.538 707 2HA GLY 94 1HA GLY 94 -0.468 3.622 8.736 708 H ALA 95 H ALA 95 -0.736 6.027 7.918 709 HA ALA 95 HA ALA 95 -3.617 6.474 7.951 710 1HB ALA 95 1HB ALA 95 -2.059 7.728 9.384 711 2HB ALA 95 3HB ALA 95 -1.222 8.360 7.974 712 3HB ALA 95 2HB ALA 95 -2.874 8.848 8.302 713 H GLY 96 H GLY 96 -3.440 5.354 5.665 714 1HA GLY 96 2HA GLY 96 -4.836 6.185 3.691 715 2HA GLY 96 1HA GLY 96 -3.820 7.577 3.639 716 H MET 97 H MET 97 -1.254 6.476 3.272 717 HA MET 97 HA MET 97 -1.706 5.551 0.520 718 1HB MET 97 2HB MET 97 0.871 6.201 1.958 719 2HB MET 97 1HB MET 97 0.673 6.007 0.218 720 1HG MET 97 2HG MET 97 -1.245 7.825 0.615 721 2HG MET 97 1HG MET 97 -0.292 8.220 1.991 722 1HE MET 97 3HE MET 97 -1.282 9.068 -1.294 723 2HE MET 97 2HE MET 97 0.132 9.459 -2.261 724 3HE MET 97 1HE MET 97 -0.199 7.793 -1.881 725 H VAL 98 H VAL 98 -2.562 3.531 1.416 726 HA VAL 98 HA VAL 98 -0.478 1.346 1.472 727 HB VAL 98 HB VAL 98 -3.207 1.386 2.690 728 1HG1 VAL 98 2HG1 VAL 98 -1.001 -0.745 2.712 729 2HG1 VAL 98 1HG1 VAL 98 -2.473 -0.791 3.677 730 3HG1 VAL 98 3HG1 VAL 98 -2.573 -0.886 1.929 731 1HG2 VAL 98 2HG2 VAL 98 -0.374 1.385 3.870 732 2HG2 VAL 98 1HG2 VAL 98 -1.477 2.751 3.880 733 3HG2 VAL 98 3HG2 VAL 98 -1.862 1.312 4.804 734 H GLY 99 H GLY 99 -0.388 0.205 -0.455 735 1HA GLY 99 2HA GLY 99 -2.859 -0.347 -2.067 736 2HA GLY 99 1HA GLY 99 -1.260 -0.176 -2.762 737 H LYS 100 H LYS 100 -3.109 -2.209 -0.618 738 HA LYS 100 HA LYS 100 -1.344 -4.477 -0.568 739 1HB LYS 100 2HB LYS 100 -4.356 -4.230 -0.183 740 2HB LYS 100 1HB LYS 100 -3.442 -5.639 0.306 741 1HG LYS 100 2HG LYS 100 -2.513 -2.928 1.309 742 2HG LYS 100 1HG LYS 100 -3.983 -3.541 2.001 743 1HD LYS 100 2HD LYS 100 -1.503 -5.333 1.849 744 2HD LYS 100 1HD LYS 100 -1.670 -4.182 3.158 745 1HE LYS 100 2HE LYS 100 -3.875 -5.218 3.737 746 2HE LYS 100 1HE LYS 100 -3.569 -6.419 2.476 747 1HZ LYS 100 2HZ LYS 100 -1.200 -6.246 3.860 748 2HZ LYS 100 1HZ LYS 100 -2.370 -6.385 5.108 749 3HZ LYS 100 3HZ LYS 100 -2.271 -7.478 3.841 750 H ILE 101 H ILE 101 -0.895 -4.346 -3.021 751 HA ILE 101 HA ILE 101 -2.661 -5.269 -5.015 752 HB ILE 101 HB ILE 101 0.290 -4.926 -4.655 753 1HG1 ILE 101 2HG1 ILE 101 -1.380 -3.569 -6.172 754 2HG1 ILE 101 1HG1 ILE 101 0.292 -3.754 -6.637 755 1HG2 ILE 101 1HG2 ILE 101 -0.491 -7.145 -6.563 756 2HG2 ILE 101 3HG2 ILE 101 1.052 -6.320 -6.632 757 3HG2 ILE 101 2HG2 ILE 101 0.631 -7.247 -5.223 758 1HD1 ILE 101 2HD1 ILE 101 -1.962 -5.559 -7.698 759 2HD1 ILE 101 1HD1 ILE 101 -1.251 -4.251 -8.622 760 3HD1 ILE 101 3HD1 ILE 101 -0.312 -5.649 -8.210 761 H THR 102 H THR 102 -3.934 -6.866 -4.025 762 HA THR 102 HA THR 102 -2.729 -9.430 -3.190 763 HB THR 102 HB THR 102 -5.511 -9.871 -3.076 764 HG1 THR 102 HG1 THR 102 -4.692 -7.188 -2.512 765 1HG2 THR 102 1HG2 THR 102 -3.664 -8.555 -1.034 766 2HG2 THR 102 3HG2 THR 102 -5.142 -9.442 -0.685 767 3HG2 THR 102 2HG2 THR 102 -3.743 -10.277 -1.318 768 H VAL 103 H VAL 103 -1.824 -10.097 -5.055 769 HA VAL 103 HA VAL 103 -3.448 -10.787 -7.368 770 HB VAL 103 HB VAL 103 -0.653 -11.546 -6.444 771 1HG1 VAL 103 3HG1 VAL 103 -2.116 -12.467 -8.981 772 2HG1 VAL 103 2HG1 VAL 103 -0.423 -12.737 -8.615 773 3HG1 VAL 103 1HG1 VAL 103 -1.646 -13.547 -7.684 774 1HG2 VAL 103 3HG2 VAL 103 -1.049 -9.348 -7.425 775 2HG2 VAL 103 2HG2 VAL 103 -0.027 -10.347 -8.445 776 3HG2 VAL 103 1HG2 VAL 103 -1.715 -10.123 -8.860 777 H ALA 104 H ALA 104 -5.013 -12.008 -7.198 778 HA ALA 104 HA ALA 104 -6.514 -13.495 -5.906 779 1HB ALA 104 3HB ALA 104 -6.452 -13.652 -8.322 780 2HB ALA 104 2HB ALA 104 -5.058 -14.724 -8.256 781 3HB ALA 104 1HB ALA 104 -6.623 -15.283 -7.677 782 H GLY 105 HN GLY 105 -4.426 -16.157 -6.819 783 1HA GLY 105 2HA GLY 105 -4.054 -17.040 -4.028 784 2HA GLY 105 1HA GLY 105 -4.985 -18.090 -5.092 No H/Q in entry = 784 Start of MODEL 16 1 1H GLU 1 3H GLU 1 -3.286 -5.130 -15.124 2 2H GLU 1 2H GLU 1 -4.646 -5.663 -15.907 3 3H GLU 1 1H GLU 1 -3.150 -6.053 -16.539 4 HA GLU 1 HA GLU 1 -2.951 -4.168 -17.691 5 1HB GLU 1 2HB GLU 1 -5.788 -3.600 -16.624 6 2HB GLU 1 1HB GLU 1 -5.050 -2.743 -17.950 7 1HG GLU 1 2HG GLU 1 -6.682 -4.524 -18.751 8 2HG GLU 1 1HG GLU 1 -5.072 -4.816 -19.364 9 H THR 2 H THR 2 -1.698 -2.247 -17.017 10 HA THR 2 HA THR 2 -1.257 -1.527 -14.457 11 HB THR 2 HB THR 2 -1.305 0.968 -16.179 12 HG1 THR 2 HG1 THR 2 -0.893 0.168 -18.029 13 1HG2 THR 2 2HG2 THR 2 0.751 0.089 -14.795 14 2HG2 THR 2 1HG2 THR 2 0.961 -1.104 -16.064 15 3HG2 THR 2 3HG2 THR 2 1.088 0.599 -16.434 16 H TYR 3 H TYR 3 -3.048 -1.863 -13.341 17 HA TYR 3 HA TYR 3 -5.273 -0.052 -13.315 18 1HB TYR 3 2HB TYR 3 -4.113 -1.717 -10.997 19 2HB TYR 3 1HB TYR 3 -5.766 -1.134 -11.088 20 HD1 TYR 3 HD2 TYR 3 -6.927 -1.761 -13.534 21 HD2 TYR 3 HD1 TYR 3 -3.813 -3.953 -11.638 22 HE1 TYR 3 HE2 TYR 3 -7.505 -3.762 -14.862 23 HE2 TYR 3 HE1 TYR 3 -4.412 -5.915 -12.952 24 HH TYR 3 HH TYR 3 -6.839 -5.819 -15.518 25 H THR 4 H THR 4 -4.926 1.977 -13.290 26 HA THR 4 HA THR 4 -2.914 3.564 -12.299 27 HB THR 4 HB THR 4 -4.454 5.498 -12.759 28 HG1 THR 4 HG1 THR 4 -6.581 4.007 -13.439 29 1HG2 THR 4 3HG2 THR 4 -5.179 3.194 -14.661 30 2HG2 THR 4 2HG2 THR 4 -5.322 4.914 -14.984 31 3HG2 THR 4 1HG2 THR 4 -3.753 4.183 -14.786 32 H VAL 5 H VAL 5 -2.348 3.131 -10.118 33 HA VAL 5 HA VAL 5 -4.134 4.087 -7.972 34 HB VAL 5 HB VAL 5 -1.116 3.436 -8.019 35 1HG1 VAL 5 3HG1 VAL 5 -1.917 4.834 -6.092 36 2HG1 VAL 5 2HG1 VAL 5 -3.119 3.617 -5.734 37 3HG1 VAL 5 1HG1 VAL 5 -1.414 3.234 -5.548 38 1HG2 VAL 5 1HG2 VAL 5 -3.485 1.713 -7.140 39 2HG2 VAL 5 3HG2 VAL 5 -2.545 1.467 -8.605 40 3HG2 VAL 5 2HG2 VAL 5 -1.792 1.255 -7.037 41 H LYS 6 H LYS 6 -4.468 6.226 -7.853 42 HA LYS 6 HA LYS 6 -2.589 8.223 -9.002 43 1HB LYS 6 2HB LYS 6 -5.392 8.659 -7.938 44 2HB LYS 6 1HB LYS 6 -4.540 9.700 -9.041 45 1HG LYS 6 2HG LYS 6 -5.004 8.378 -10.921 46 2HG LYS 6 1HG LYS 6 -4.999 6.882 -10.015 47 1HD LYS 6 2HD LYS 6 -7.184 7.994 -8.812 48 2HD LYS 6 1HD LYS 6 -7.218 8.985 -10.236 49 1HE LYS 6 2HE LYS 6 -8.750 6.987 -10.291 50 2HE LYS 6 1HE LYS 6 -7.631 7.036 -11.653 51 1HZ LYS 6 2HZ LYS 6 -6.360 5.766 -9.519 52 2HZ LYS 6 1HZ LYS 6 -7.748 5.026 -9.517 53 3HZ LYS 6 3HZ LYS 6 -6.753 5.023 -10.933 54 H LEU 7 H LEU 7 -1.727 7.183 -6.754 55 HA LEU 7 HA LEU 7 -1.655 7.684 -4.251 56 1HB LEU 7 2HB LEU 7 0.510 9.307 -5.611 57 2HB LEU 7 1HB LEU 7 0.684 8.238 -4.262 58 HG LEU 7 HG LEU 7 0.065 7.145 -7.070 59 1HD1 LEU 7 1HD1 LEU 7 2.739 7.316 -5.651 60 2HD1 LEU 7 3HD1 LEU 7 2.436 6.539 -7.185 61 3HD1 LEU 7 2HD1 LEU 7 2.296 8.267 -7.049 62 1HD2 LEU 7 3HD2 LEU 7 -0.447 5.723 -5.073 63 2HD2 LEU 7 2HD2 LEU 7 0.841 5.057 -6.053 64 3HD2 LEU 7 1HD2 LEU 7 1.218 5.881 -4.547 65 H GLY 8 H GLY 8 -3.574 9.069 -3.972 66 1HA GLY 8 2HA GLY 8 -3.795 11.103 -2.355 67 2HA GLY 8 1HA GLY 8 -2.922 12.008 -3.577 68 H SER 9 H SER 9 -5.723 10.020 -3.250 69 HA SER 9 HA SER 9 -7.455 10.285 -5.191 70 1HB SER 9 2HB SER 9 -8.105 9.471 -2.966 71 2HB SER 9 1HB SER 9 -8.303 11.130 -2.403 72 HG SER 9 HG SER 9 -9.607 10.903 -4.758 73 H ASP 10 H ASP 10 -7.637 13.200 -3.115 74 HA ASP 10 HA ASP 10 -8.720 14.621 -5.511 75 1HB ASP 10 2HB ASP 10 -10.255 15.694 -3.879 76 2HB ASP 10 1HB ASP 10 -10.176 14.015 -3.528 77 H LYS 11 H LYS 11 -7.640 16.225 -2.709 78 HA LYS 11 HA LYS 11 -5.552 17.790 -4.193 79 1HB LYS 11 2HB LYS 11 -7.148 18.682 -1.769 80 2HB LYS 11 1HB LYS 11 -5.921 19.585 -2.603 81 1HG LYS 11 2HG LYS 11 -7.427 20.453 -4.030 82 2HG LYS 11 1HG LYS 11 -7.730 18.864 -4.684 83 1HD LYS 11 2HD LYS 11 -9.141 20.015 -2.194 84 2HD LYS 11 1HD LYS 11 -9.850 19.989 -3.804 85 1HE LYS 11 2HE LYS 11 -9.627 17.555 -3.882 86 2HE LYS 11 1HE LYS 11 -8.880 17.567 -2.292 87 1HZ LYS 11 3HZ LYS 11 -11.354 18.924 -2.030 88 2HZ LYS 11 2HZ LYS 11 -11.604 17.425 -2.835 89 3HZ LYS 11 1HZ LYS 11 -10.826 17.421 -1.397 90 H GLY 12 H GLY 12 -6.500 16.209 -1.257 91 1HA GLY 12 2HA GLY 12 -3.668 15.783 -0.364 92 2HA GLY 12 1HA GLY 12 -4.765 16.515 0.774 93 H LEU 13 H LEU 13 -6.686 14.197 -0.603 94 HA LEU 13 HA LEU 13 -6.327 12.460 1.694 95 1HB LEU 13 2HB LEU 13 -8.004 12.363 -0.842 96 2HB LEU 13 1HB LEU 13 -8.150 11.115 0.381 97 HG LEU 13 HG LEU 13 -8.570 14.114 0.869 98 1HD1 LEU 13 2HD1 LEU 13 -10.231 13.108 -0.685 99 2HD1 LEU 13 1HD1 LEU 13 -10.576 11.845 0.482 100 3HD1 LEU 13 3HD1 LEU 13 -10.956 13.520 0.848 101 1HD2 LEU 13 3HD2 LEU 13 -9.319 11.632 2.515 102 2HD2 LEU 13 2HD2 LEU 13 -8.004 12.719 2.938 103 3HD2 LEU 13 1HD2 LEU 13 -9.653 13.297 2.952 104 H LEU 14 H LEU 14 -4.218 11.858 1.559 105 HA LEU 14 HA LEU 14 -2.957 10.448 -0.626 106 1HB LEU 14 2HB LEU 14 -2.203 10.581 2.312 107 2HB LEU 14 1HB LEU 14 -1.126 10.116 1.026 108 HG LEU 14 HG LEU 14 -2.368 12.870 1.477 109 1HD1 LEU 14 1HD1 LEU 14 0.497 11.884 1.416 110 2HD1 LEU 14 3HD1 LEU 14 -0.010 13.544 1.666 111 3HD1 LEU 14 2HD1 LEU 14 -0.420 12.318 2.851 112 1HD2 LEU 14 2HD2 LEU 14 -0.579 11.987 -0.839 113 2HD2 LEU 14 1HD2 LEU 14 -2.277 12.411 -0.996 114 3HD2 LEU 14 3HD2 LEU 14 -1.120 13.620 -0.511 115 H VAL 15 H VAL 15 -5.235 9.134 -0.252 116 HA VAL 15 HA VAL 15 -4.540 6.397 0.721 117 HB VAL 15 HB VAL 15 -6.523 7.551 1.763 118 1HG1 VAL 15 1HG1 VAL 15 -7.240 8.946 -0.197 119 2HG1 VAL 15 3HG1 VAL 15 -7.695 7.497 -1.072 120 3HG1 VAL 15 2HG1 VAL 15 -8.566 7.958 0.375 121 1HG2 VAL 15 1HG2 VAL 15 -6.584 5.068 1.524 122 2HG2 VAL 15 3HG2 VAL 15 -8.187 5.759 1.400 123 3HG2 VAL 15 2HG2 VAL 15 -7.366 5.231 -0.047 124 H PHE 16 H PHE 16 -5.674 4.728 -0.854 125 HA PHE 16 HA PHE 16 -5.141 5.628 -3.677 126 1HB PHE 16 2HB PHE 16 -4.918 2.830 -2.583 127 2HB PHE 16 1HB PHE 16 -4.339 3.394 -4.126 128 HD1 PHE 16 HD2 PHE 16 -2.543 5.324 -4.022 129 HD2 PHE 16 HD1 PHE 16 -3.505 2.824 -0.727 130 HE1 PHE 16 HE2 PHE 16 -0.364 5.865 -2.950 131 HE2 PHE 16 HE1 PHE 16 -1.368 3.373 0.315 132 HZ PHE 16 HZ PHE 16 0.203 4.869 -0.784 133 H GLU 17 H GLU 17 -6.304 5.270 -5.197 134 HA GLU 17 HA GLU 17 -9.069 4.161 -5.073 135 1HB GLU 17 2HB GLU 17 -9.129 5.952 -7.146 136 2HB GLU 17 1HB GLU 17 -9.566 6.308 -5.492 137 1HG GLU 17 2HG GLU 17 -7.868 7.978 -6.584 138 2HG GLU 17 1HG GLU 17 -7.396 7.346 -5.029 139 HA PRO 18 HA PRO 18 -8.724 2.181 -4.749 140 1HB PRO 18 2HB PRO 18 -8.762 -0.417 -5.157 141 2HB PRO 18 1HB PRO 18 -9.714 0.640 -6.223 142 1HG PRO 18 2HG PRO 18 -6.978 -0.615 -6.778 143 2HG PRO 18 1HG PRO 18 -8.363 -0.491 -7.863 144 1HD PRO 18 2HD PRO 18 -6.168 1.419 -7.616 145 2HD PRO 18 1HD PRO 18 -7.632 1.608 -8.616 146 H ALA 19 H ALA 19 -8.083 0.922 -3.009 147 HA ALA 19 HA ALA 19 -5.190 0.862 -2.461 148 1HB ALA 19 2HB ALA 19 -6.568 2.491 -1.112 149 2HB ALA 19 1HB ALA 19 -7.596 1.182 -0.571 150 3HB ALA 19 3HB ALA 19 -5.918 1.251 -0.055 151 H LYS 20 H LYS 20 -7.999 -0.927 -2.450 152 HA LYS 20 HA LYS 20 -6.759 -3.464 -1.434 153 1HB LYS 20 2HB LYS 20 -9.654 -2.549 -1.755 154 2HB LYS 20 1HB LYS 20 -9.194 -4.143 -1.192 155 1HG LYS 20 2HG LYS 20 -8.453 -3.344 0.920 156 2HG LYS 20 1HG LYS 20 -8.014 -1.786 0.286 157 1HD LYS 20 2HD LYS 20 -10.072 -1.586 1.745 158 2HD LYS 20 1HD LYS 20 -10.326 -1.032 0.120 159 1HE LYS 20 2HE LYS 20 -12.270 -2.302 0.854 160 2HE LYS 20 1HE LYS 20 -11.484 -3.151 -0.470 161 1HZ LYS 20 2HZ LYS 20 -10.231 -3.914 1.938 162 2HZ LYS 20 1HZ LYS 20 -11.896 -4.090 2.182 163 3HZ LYS 20 3HZ LYS 20 -11.130 -4.906 0.906 164 H LEU 21 H LEU 21 -5.753 -3.990 -3.511 165 HA LEU 21 HA LEU 21 -7.658 -4.305 -5.814 166 1HB LEU 21 2HB LEU 21 -5.554 -2.776 -5.954 167 2HB LEU 21 1HB LEU 21 -4.678 -4.260 -6.128 168 HG LEU 21 HG LEU 21 -6.688 -3.029 -8.059 169 1HD1 LEU 21 1HD1 LEU 21 -4.045 -4.470 -8.430 170 2HD1 LEU 21 3HD1 LEU 21 -4.990 -3.754 -9.711 171 3HD1 LEU 21 2HD1 LEU 21 -4.279 -2.734 -8.466 172 1HD2 LEU 21 1HD2 LEU 21 -6.058 -6.026 -8.157 173 2HD2 LEU 21 3HD2 LEU 21 -7.639 -5.357 -7.871 174 3HD2 LEU 21 2HD2 LEU 21 -6.860 -5.132 -9.406 175 H THR 22 H THR 22 -8.421 -6.411 -5.656 176 HA THR 22 HA THR 22 -6.453 -8.642 -5.497 177 HB THR 22 HB THR 22 -9.502 -8.628 -6.040 178 HG1 THR 22 HG1 THR 22 -7.736 -8.935 -3.848 179 1HG2 THR 22 3HG2 THR 22 -7.653 -11.000 -5.396 180 2HG2 THR 22 2HG2 THR 22 -9.373 -11.045 -5.685 181 3HG2 THR 22 1HG2 THR 22 -8.271 -10.703 -7.009 182 H ILE 23 H ILE 23 -5.279 -9.019 -7.220 183 HA ILE 23 HA ILE 23 -6.145 -8.148 -9.880 184 HB ILE 23 HB ILE 23 -3.470 -8.659 -10.358 185 1HG1 ILE 23 2HG1 ILE 23 -3.429 -8.489 -7.380 186 2HG1 ILE 23 1HG1 ILE 23 -3.567 -10.008 -8.230 187 1HG2 ILE 23 1HG2 ILE 23 -4.541 -6.363 -10.078 188 2HG2 ILE 23 3HG2 ILE 23 -4.167 -6.528 -8.359 189 3HG2 ILE 23 2HG2 ILE 23 -2.886 -6.535 -9.558 190 1HD1 ILE 23 1HD1 ILE 23 -1.346 -8.032 -8.862 191 2HD1 ILE 23 3HD1 ILE 23 -1.200 -9.338 -7.714 192 3HD1 ILE 23 2HD1 ILE 23 -1.499 -9.678 -9.416 193 H LYS 24 H LYS 24 -4.514 -9.694 -11.378 194 HA LYS 24 HA LYS 24 -6.022 -12.193 -11.230 195 1HB LYS 24 2HB LYS 24 -4.231 -10.866 -13.339 196 2HB LYS 24 1HB LYS 24 -4.924 -12.444 -13.648 197 1HG LYS 24 2HG LYS 24 -7.015 -11.551 -14.113 198 2HG LYS 24 1HG LYS 24 -7.012 -10.612 -12.644 199 1HD LYS 24 2HD LYS 24 -7.113 -9.020 -14.473 200 2HD LYS 24 1HD LYS 24 -5.539 -8.886 -13.742 201 1HE LYS 24 2HE LYS 24 -4.562 -10.265 -15.557 202 2HE LYS 24 1HE LYS 24 -6.161 -10.413 -16.300 203 1HZ LYS 24 1HZ LYS 24 -5.661 -7.683 -15.629 204 2HZ LYS 24 3HZ LYS 24 -4.375 -8.190 -16.466 205 3HZ LYS 24 2HZ LYS 24 -5.865 -8.252 -17.157 206 HA PRO 25 HA PRO 25 -1.857 -14.559 -10.581 207 1HB PRO 25 2HB PRO 25 -1.230 -15.232 -13.260 208 2HB PRO 25 1HB PRO 25 -2.105 -16.231 -12.099 209 1HG PRO 25 2HG PRO 25 -3.332 -14.292 -14.135 210 2HG PRO 25 1HG PRO 25 -3.768 -15.980 -13.814 211 1HD PRO 25 2HD PRO 25 -5.297 -14.223 -12.604 212 2HD PRO 25 1HD PRO 25 -4.574 -15.475 -11.598 213 H GLY 26 H GLY 26 -1.500 -11.955 -10.220 214 1HA GLY 26 2HA GLY 26 0.538 -10.653 -10.111 215 2HA GLY 26 1HA GLY 26 1.095 -11.409 -11.579 216 H ASP 27 H ASP 27 -0.126 -10.811 -13.459 217 HA ASP 27 HA ASP 27 -0.391 -9.137 -15.109 218 1HB ASP 27 2HB ASP 27 -2.572 -9.728 -14.044 219 2HB ASP 27 1HB ASP 27 -2.403 -8.356 -12.961 220 H THR 28 H THR 28 -1.329 -6.491 -14.886 221 HA THR 28 HA THR 28 1.052 -4.989 -14.055 222 HB THR 28 HB THR 28 -0.037 -3.174 -15.755 223 HG1 THR 28 HG1 THR 28 -0.585 -5.562 -17.027 224 1HG2 THR 28 3HG2 THR 28 1.486 -5.602 -16.732 225 2HG2 THR 28 2HG2 THR 28 1.283 -4.048 -17.546 226 3HG2 THR 28 1HG2 THR 28 2.182 -4.141 -16.059 227 H VAL 29 H VAL 29 1.026 -3.381 -12.826 228 HA VAL 29 HA VAL 29 -1.447 -2.094 -11.857 229 HB VAL 29 HB VAL 29 1.065 -2.550 -10.361 230 1HG1 VAL 29 1HG1 VAL 29 -1.681 -1.438 -9.524 231 2HG1 VAL 29 3HG1 VAL 29 -0.351 -1.767 -8.435 232 3HG1 VAL 29 2HG1 VAL 29 -0.214 -0.488 -9.615 233 1HG2 VAL 29 3HG2 VAL 29 -1.713 -3.825 -10.220 234 2HG2 VAL 29 2HG2 VAL 29 -0.262 -4.628 -10.792 235 3HG2 VAL 29 1HG2 VAL 29 -0.376 -4.114 -9.129 236 H GLU 30 H GLU 30 -1.379 0.345 -11.899 237 HA GLU 30 HA GLU 30 1.142 1.504 -12.890 238 1HB GLU 30 2HB GLU 30 -0.623 1.668 -14.443 239 2HB GLU 30 1HB GLU 30 -1.708 2.339 -13.286 240 1HG GLU 30 2HG GLU 30 -0.257 4.403 -13.162 241 2HG GLU 30 1HG GLU 30 0.946 3.634 -14.183 242 H PHE 31 H PHE 31 2.100 3.015 -11.738 243 HA PHE 31 HA PHE 31 0.722 4.089 -9.260 244 1HB PHE 31 2HB PHE 31 3.661 3.550 -9.717 245 2HB PHE 31 1HB PHE 31 3.007 4.374 -8.324 246 HD1 PHE 31 HD1 PHE 31 2.733 1.159 -10.226 247 HD2 PHE 31 HD2 PHE 31 2.257 3.134 -6.497 248 HE1 PHE 31 HE1 PHE 31 2.297 -0.996 -9.139 249 HE2 PHE 31 HE2 PHE 31 1.820 0.974 -5.401 250 HZ PHE 31 HZ PHE 31 1.841 -1.097 -6.726 251 H LEU 32 H LEU 32 -0.016 6.096 -9.739 252 HA LEU 32 HA LEU 32 1.576 8.093 -11.176 253 1HB LEU 32 2HB LEU 32 -0.482 7.448 -12.310 254 2HB LEU 32 1HB LEU 32 -1.380 7.647 -10.840 255 HG LEU 32 HG LEU 32 -1.049 10.092 -10.854 256 1HD1 LEU 32 1HD1 LEU 32 1.218 10.128 -12.014 257 2HD1 LEU 32 3HD1 LEU 32 0.425 9.633 -13.498 258 3HD1 LEU 32 2HD1 LEU 32 0.049 11.174 -12.782 259 1HD2 LEU 32 2HD2 LEU 32 -1.894 8.956 -13.553 260 2HD2 LEU 32 1HD2 LEU 32 -2.928 9.084 -12.140 261 3HD2 LEU 32 3HD2 LEU 32 -2.337 10.536 -12.932 262 H ASN 33 H ASN 33 2.537 9.589 -9.752 263 HA ASN 33 HA ASN 33 1.321 10.100 -7.128 264 1HB ASN 33 2HB ASN 33 3.250 11.737 -6.929 265 2HB ASN 33 1HB ASN 33 3.712 10.052 -7.234 266 1HD2 ASN 33 2HD2 ASN 33 4.768 12.786 -9.779 267 2HD2 ASN 33 1HD2 ASN 33 3.886 13.249 -8.372 268 H ASN 34 H ASN 34 -0.638 10.786 -8.182 269 HA ASN 34 HA ASN 34 -1.335 13.157 -9.384 270 1HB ASN 34 2HB ASN 34 -2.836 11.265 -8.650 271 2HB ASN 34 1HB ASN 34 -2.658 11.798 -6.996 272 1HD2 ASN 34 2HD2 ASN 34 -5.738 13.271 -7.478 273 2HD2 ASN 34 1HD2 ASN 34 -4.851 12.007 -6.781 274 H LYS 35 H LYS 35 -0.821 12.995 -5.858 275 HA LYS 35 HA LYS 35 -0.191 15.917 -5.853 276 1HB LYS 35 2HB LYS 35 -2.249 14.448 -4.140 277 2HB LYS 35 1HB LYS 35 -1.517 15.890 -3.493 278 1HG LYS 35 2HG LYS 35 -3.266 16.919 -4.562 279 2HG LYS 35 1HG LYS 35 -2.180 16.888 -5.935 280 1HD LYS 35 2HD LYS 35 -3.231 14.474 -6.354 281 2HD LYS 35 1HD LYS 35 -4.453 14.978 -5.247 282 1HE LYS 35 2HE LYS 35 -5.316 15.412 -7.425 283 2HE LYS 35 1HE LYS 35 -4.939 16.969 -6.695 284 1HZ LYS 35 3HZ LYS 35 -2.598 16.034 -7.898 285 2HZ LYS 35 2HZ LYS 35 -3.806 15.754 -8.995 286 3HZ LYS 35 1HZ LYS 35 -3.515 17.347 -8.434 287 H VAL 36 H VAL 36 0.373 16.297 -3.247 288 HA VAL 36 HA VAL 36 2.727 16.244 -2.380 289 HB VAL 36 HB VAL 36 0.928 14.324 -0.878 290 1HG1 VAL 36 1HG1 VAL 36 3.172 16.176 0.075 291 2HG1 VAL 36 3HG1 VAL 36 2.150 15.203 1.116 292 3HG1 VAL 36 2HG1 VAL 36 3.256 14.429 0.007 293 1HG2 VAL 36 1HG2 VAL 36 1.122 17.383 -0.720 294 2HG2 VAL 36 3HG2 VAL 36 -0.259 16.498 -1.352 295 3HG2 VAL 36 2HG2 VAL 36 0.159 16.374 0.338 296 HA PRO 37 HA PRO 37 5.096 12.501 -3.655 297 1HB PRO 37 2HB PRO 37 7.168 14.236 -4.418 298 2HB PRO 37 1HB PRO 37 6.003 13.518 -5.540 299 1HG PRO 37 2HG PRO 37 5.807 16.226 -4.083 300 2HG PRO 37 1HG PRO 37 5.674 15.955 -5.824 301 1HD PRO 37 2HD PRO 37 3.418 16.127 -4.432 302 2HD PRO 37 1HD PRO 37 3.545 14.732 -5.525 303 HA PRO 38 HA PRO 38 7.361 12.031 -3.908 304 1HB PRO 38 2HB PRO 38 9.596 10.912 -3.054 305 2HB PRO 38 1HB PRO 38 9.529 12.671 -3.258 306 1HG PRO 38 2HG PRO 38 9.116 11.069 -0.661 307 2HG PRO 38 1HG PRO 38 10.207 12.429 -0.910 308 1HD PRO 38 2HD PRO 38 7.605 12.704 0.115 309 2HD PRO 38 1HD PRO 38 8.435 14.017 -0.741 310 H HIS 39 HN HIP 39 6.200 10.292 -4.371 311 HA HIS 39 HA HIP 39 5.303 8.499 -2.172 312 1HB HIS 39 2HB HIP 39 4.633 8.390 -5.121 313 2HB HIS 39 1HB HIP 39 3.886 7.403 -3.874 314 HD2 HIS 39 HD2 HIP 39 3.951 10.904 -5.304 315 HE1 HIS 39 HE1 HIP 39 1.123 10.986 -2.270 316 HE2 HIS 39 HE2 HIP 39 2.081 12.165 -4.133 317 H ASN 40 H ASN 40 7.152 7.879 -1.652 318 HA ASN 40 HA ASN 40 8.826 5.950 -3.019 319 1HB ASN 40 2HB ASN 40 9.827 7.635 -1.641 320 2HB ASN 40 1HB ASN 40 8.567 7.579 -0.456 321 1HD2 ASN 40 2HD2 ASN 40 10.800 4.563 0.516 322 2HD2 ASN 40 1HD2 ASN 40 9.733 4.376 -0.791 323 H VAL 41 H VAL 41 6.527 4.798 -3.353 324 HA VAL 41 HA VAL 41 5.711 3.285 -0.962 325 HB VAL 41 HB VAL 41 4.286 1.944 -2.474 326 1HG1 VAL 41 3HG1 VAL 41 3.379 3.955 -1.332 327 2HG1 VAL 41 2HG1 VAL 41 3.934 4.969 -2.655 328 3HG1 VAL 41 1HG1 VAL 41 2.647 3.805 -2.918 329 1HG2 VAL 41 1HG2 VAL 41 5.494 2.345 -4.688 330 2HG2 VAL 41 3HG2 VAL 41 3.824 2.837 -4.790 331 3HG2 VAL 41 2HG2 VAL 41 5.074 4.039 -4.584 332 H VAL 42 H VAL 42 6.940 1.901 -0.237 333 HA VAL 42 HA VAL 42 8.678 0.190 -1.933 334 HB VAL 42 HB VAL 42 8.508 0.645 1.045 335 1HG1 VAL 42 1HG1 VAL 42 10.682 -0.631 -0.646 336 2HG1 VAL 42 3HG1 VAL 42 10.744 -0.334 1.088 337 3HG1 VAL 42 2HG1 VAL 42 9.610 -1.506 0.444 338 1HG2 VAL 42 2HG2 VAL 42 10.376 1.862 -1.046 339 2HG2 VAL 42 1HG2 VAL 42 9.128 2.681 -0.127 340 3HG2 VAL 42 3HG2 VAL 42 10.521 2.058 0.695 341 H PHE 43 H PHE 43 8.425 -2.146 -1.784 342 HA PHE 43 HA PHE 43 5.728 -3.012 -1.147 343 1HB PHE 43 2HB PHE 43 7.758 -4.016 -3.008 344 2HB PHE 43 1HB PHE 43 7.067 -5.283 -2.034 345 HD1 PHE 43 HD1 PHE 43 5.724 -2.142 -3.659 346 HD2 PHE 43 HD2 PHE 43 5.263 -6.291 -2.853 347 HE1 PHE 43 HE1 PHE 43 3.653 -2.136 -4.911 348 HE2 PHE 43 HE2 PHE 43 3.175 -6.292 -4.095 349 HZ PHE 43 HZ PHE 43 2.339 -4.213 -5.134 350 H ASP 44 H ASP 44 5.320 -4.850 0.270 351 HA ASP 44 HA ASP 44 7.216 -4.947 2.534 352 1HB ASP 44 2HB ASP 44 5.284 -5.124 3.744 353 2HB ASP 44 1HB ASP 44 4.432 -4.863 2.244 354 H ALA 45 H ALA 45 7.858 -6.524 3.619 355 HA ALA 45 HA ALA 45 8.506 -9.115 2.383 356 1HB ALA 45 2HB ALA 45 10.379 -7.630 2.561 357 2HB ALA 45 1HB ALA 45 10.098 -7.419 4.277 358 3HB ALA 45 3HB ALA 45 10.600 -8.986 3.662 359 H ALA 46 H ALA 46 6.690 -7.916 4.890 360 HA ALA 46 HA ALA 46 7.079 -10.294 6.707 361 1HB ALA 46 2HB ALA 46 7.654 -8.154 7.691 362 2HB ALA 46 1HB ALA 46 6.070 -7.492 7.320 363 3HB ALA 46 3HB ALA 46 6.231 -8.788 8.496 364 H LEU 47 H LEU 47 4.545 -8.224 5.447 365 HA LEU 47 HA LEU 47 2.342 -9.826 6.355 366 1HB LEU 47 2HB LEU 47 2.404 -7.777 4.089 367 2HB LEU 47 1HB LEU 47 0.990 -8.206 5.007 368 HG LEU 47 HG LEU 47 3.451 -6.814 6.184 369 1HD1 LEU 47 3HD1 LEU 47 0.744 -5.744 5.330 370 2HD1 LEU 47 2HD1 LEU 47 1.984 -4.819 6.169 371 3HD1 LEU 47 1HD1 LEU 47 2.295 -5.443 4.562 372 1HD2 LEU 47 1HD2 LEU 47 0.647 -7.269 7.306 373 2HD2 LEU 47 3HD2 LEU 47 2.095 -8.095 7.868 374 3HD2 LEU 47 2HD2 LEU 47 1.932 -6.364 8.087 375 H ASN 48 H ASN 48 3.849 -9.295 3.700 376 HA ASN 48 HA ASN 48 2.985 -10.408 1.436 377 1HB ASN 48 2HB ASN 48 5.177 -9.411 1.778 378 2HB ASN 48 1HB ASN 48 5.759 -10.808 2.640 379 1HD2 ASN 48 2HD2 ASN 48 6.579 -10.649 -1.072 380 2HD2 ASN 48 1HD2 ASN 48 6.455 -9.378 0.075 381 HA PRO 49 HA PRO 49 1.633 -14.705 2.246 382 1HB PRO 49 2HB PRO 49 2.071 -15.658 -0.389 383 2HB PRO 49 1HB PRO 49 0.585 -14.913 0.182 384 1HG PRO 49 2HG PRO 49 2.968 -13.560 -1.149 385 2HG PRO 49 1HG PRO 49 1.259 -13.404 -1.565 386 1HD PRO 49 2HD PRO 49 2.311 -11.478 -0.096 387 2HD PRO 49 1HD PRO 49 0.799 -12.182 0.524 388 H ALA 50 H ALA 50 4.560 -14.207 0.395 389 HA ALA 50 HA ALA 50 5.859 -16.506 1.819 390 1HB ALA 50 3HB ALA 50 5.605 -16.770 -0.601 391 2HB ALA 50 2HB ALA 50 6.441 -15.243 -0.873 392 3HB ALA 50 1HB ALA 50 7.310 -16.609 -0.199 393 H LYS 51 H LYS 51 5.755 -13.881 2.971 394 HA LYS 51 HA LYS 51 7.286 -11.969 3.380 395 1HB LYS 51 2HB LYS 51 7.927 -14.278 5.211 396 2HB LYS 51 1HB LYS 51 8.116 -12.569 5.542 397 1HG LYS 51 2HG LYS 51 6.179 -12.586 6.432 398 2HG LYS 51 1HG LYS 51 5.508 -12.583 4.807 399 1HD LYS 51 2HD LYS 51 6.074 -15.351 5.461 400 2HD LYS 51 1HD LYS 51 5.475 -14.672 6.955 401 1HE LYS 51 2HE LYS 51 4.099 -14.852 4.299 402 2HE LYS 51 1HE LYS 51 3.571 -15.541 5.811 403 1HZ LYS 51 1HZ LYS 51 3.921 -12.699 6.145 404 2HZ LYS 51 3HZ LYS 51 3.027 -12.968 4.790 405 3HZ LYS 51 2HZ LYS 51 2.459 -13.540 6.248 406 H SER 52 H SER 52 8.627 -12.494 1.308 407 HA SER 52 HA SER 52 11.484 -13.053 2.107 408 1HB SER 52 2HB SER 52 10.187 -13.038 -0.645 409 2HB SER 52 1HB SER 52 11.939 -13.167 -0.405 410 HG SER 52 HG SER 52 9.963 -14.791 0.872 411 H ALA 53 H ALA 53 13.013 -11.588 2.094 412 HA ALA 53 HA ALA 53 12.350 -8.751 1.681 413 1HB ALA 53 2HB ALA 53 13.660 -9.544 3.647 414 2HB ALA 53 1HB ALA 53 14.904 -10.180 2.580 415 3HB ALA 53 3HB ALA 53 14.642 -8.455 2.683 416 H ASP 54 H ASP 54 12.145 -10.080 -0.616 417 HA ASP 54 HA ASP 54 14.281 -9.104 -2.383 418 1HB ASP 54 2HB ASP 54 14.139 -11.540 -2.517 419 2HB ASP 54 1HB ASP 54 12.392 -11.528 -2.459 420 H LEU 55 H LEU 55 11.251 -10.146 -3.502 421 HA LEU 55 HA LEU 55 10.399 -8.155 -5.161 422 1HB LEU 55 2HB LEU 55 9.146 -10.317 -4.351 423 2HB LEU 55 1HB LEU 55 8.395 -9.295 -3.136 424 HG LEU 55 HG LEU 55 7.667 -7.749 -5.090 425 1HD1 LEU 55 1HD1 LEU 55 9.317 -8.718 -6.789 426 2HD1 LEU 55 3HD1 LEU 55 8.484 -10.248 -6.675 427 3HD1 LEU 55 2HD1 LEU 55 7.665 -8.852 -7.341 428 1HD2 LEU 55 3HD2 LEU 55 6.676 -10.632 -5.095 429 2HD2 LEU 55 2HD2 LEU 55 6.107 -9.370 -4.011 430 3HD2 LEU 55 1HD2 LEU 55 5.811 -9.245 -5.732 431 H ALA 56 H ALA 56 9.967 -8.062 -1.728 432 HA ALA 56 HA ALA 56 8.621 -5.858 -0.954 433 1HB ALA 56 2HB ALA 56 11.438 -6.615 -0.031 434 2HB ALA 56 1HB ALA 56 10.289 -5.651 0.896 435 3HB ALA 56 3HB ALA 56 9.932 -7.334 0.537 436 H LYS 57 H LYS 57 11.840 -5.730 -2.286 437 HA LYS 57 HA LYS 57 11.438 -2.858 -2.985 438 1HB LYS 57 2HB LYS 57 13.312 -3.149 -1.264 439 2HB LYS 57 1HB LYS 57 14.006 -4.424 -2.236 440 1HG LYS 57 2HG LYS 57 15.386 -2.598 -2.757 441 2HG LYS 57 1HG LYS 57 14.337 -2.620 -4.130 442 1HD LYS 57 2HD LYS 57 14.289 -0.712 -1.736 443 2HD LYS 57 1HD LYS 57 14.624 -0.301 -3.391 444 1HE LYS 57 2HE LYS 57 11.930 -0.992 -2.220 445 2HE LYS 57 1HE LYS 57 12.480 0.573 -2.747 446 1HZ LYS 57 2HZ LYS 57 12.734 -1.376 -4.913 447 2HZ LYS 57 1HZ LYS 57 11.193 -1.321 -4.306 448 3HZ LYS 57 3HZ LYS 57 11.838 0.054 -4.870 449 H SER 58 H SER 58 12.819 -5.911 -4.140 450 HA SER 58 HA SER 58 13.713 -5.090 -6.673 451 1HB SER 58 2HB SER 58 12.185 -7.670 -6.037 452 2HB SER 58 1HB SER 58 13.174 -7.384 -7.474 453 HG SER 58 HG SER 58 14.110 -8.293 -5.394 454 H LEU 59 H LEU 59 10.465 -5.249 -5.583 455 HA LEU 59 HA LEU 59 9.405 -4.661 -8.304 456 1HB LEU 59 2HB LEU 59 8.539 -6.626 -7.001 457 2HB LEU 59 1HB LEU 59 7.906 -5.524 -5.799 458 HG LEU 59 HG LEU 59 6.556 -4.406 -7.657 459 1HD1 LEU 59 1HD1 LEU 59 7.508 -6.869 -9.191 460 2HD1 LEU 59 3HD1 LEU 59 6.285 -5.744 -9.735 461 3HD1 LEU 59 2HD1 LEU 59 7.942 -5.216 -9.586 462 1HD2 LEU 59 1HD2 LEU 59 6.104 -7.389 -7.259 463 2HD2 LEU 59 3HD2 LEU 59 5.546 -6.128 -6.172 464 3HD2 LEU 59 2HD2 LEU 59 4.926 -6.222 -7.810 465 H SER 60 H SER 60 9.265 -3.285 -4.945 466 HA SER 60 HA SER 60 7.537 -1.126 -5.829 467 1HB SER 60 2HB SER 60 7.790 -0.419 -3.570 468 2HB SER 60 1HB SER 60 7.672 -2.161 -3.654 469 HG SER 60 HG SER 60 9.617 -2.233 -2.804 470 H HIS 61 H HIS 61 7.999 1.136 -5.033 471 HA HIS 61 HA HIS 61 9.865 2.379 -6.809 472 1HB HIS 61 2HB HIS 61 8.182 3.406 -4.489 473 2HB HIS 61 1HB HIS 61 9.042 4.496 -5.548 474 HD1 HIS 61 HD1 HIS 61 6.536 5.215 -5.772 475 HD2 HIS 61 HD2 HIS 61 7.512 1.798 -7.765 476 HE1 HIS 61 HE1 HIS 61 4.777 4.873 -7.510 477 H LYS 62 H LYS 62 10.885 4.482 -5.553 478 HA LYS 62 HA LYS 62 12.980 3.432 -3.661 479 1HB LYS 62 2HB LYS 62 13.271 5.598 -5.750 480 2HB LYS 62 1HB LYS 62 14.544 5.014 -4.691 481 1HG LYS 62 2HG LYS 62 14.383 2.719 -5.724 482 2HG LYS 62 1HG LYS 62 13.163 3.280 -6.833 483 1HD LYS 62 2HD LYS 62 16.031 4.374 -6.647 484 2HD LYS 62 1HD LYS 62 15.474 3.235 -7.856 485 1HE LYS 62 2HE LYS 62 13.840 4.925 -8.700 486 2HE LYS 62 1HE LYS 62 14.434 6.091 -7.520 487 1HZ LYS 62 2HZ LYS 62 16.673 4.940 -8.827 488 2HZ LYS 62 1HZ LYS 62 15.594 5.445 -10.024 489 3HZ LYS 62 3HZ LYS 62 16.169 6.553 -8.884 490 H GLN 63 H GLN 63 14.131 5.497 -2.600 491 HA GLN 63 HA GLN 63 11.914 6.886 -1.340 492 1HB GLN 63 2HB GLN 63 14.927 6.838 -0.782 493 2HB GLN 63 1HB GLN 63 13.750 7.618 0.256 494 1HG GLN 63 2HG GLN 63 12.621 5.521 0.776 495 2HG GLN 63 1HG GLN 63 13.457 4.620 -0.458 496 1HE2 GLN 63 2HE2 GLN 63 14.883 4.349 3.075 497 2HE2 GLN 63 1HE2 GLN 63 13.253 4.541 2.657 498 H LEU 64 H LEU 64 12.017 7.651 -3.824 499 HA LEU 64 HA LEU 64 12.160 10.565 -3.598 500 1HB LEU 64 2HB LEU 64 13.836 10.938 -5.372 501 2HB LEU 64 1HB LEU 64 14.508 10.098 -4.006 502 HG LEU 64 HG LEU 64 13.554 8.535 -6.444 503 1HD1 LEU 64 3HD1 LEU 64 16.284 9.820 -5.916 504 2HD1 LEU 64 2HD1 LEU 64 15.936 8.760 -7.267 505 3HD1 LEU 64 1HD1 LEU 64 15.161 10.327 -7.159 506 1HD2 LEU 64 3HD2 LEU 64 15.775 8.157 -4.352 507 2HD2 LEU 64 2HD2 LEU 64 14.254 7.311 -4.301 508 3HD2 LEU 64 1HD2 LEU 64 15.392 6.986 -5.593 509 H LEU 65 H LEU 65 9.784 9.147 -4.366 510 HA LEU 65 HA LEU 65 9.624 9.456 -7.338 511 1HB LEU 65 2HB LEU 65 8.284 7.680 -5.837 512 2HB LEU 65 1HB LEU 65 7.145 8.993 -5.645 513 HG LEU 65 HG LEU 65 7.969 7.601 -8.221 514 1HD1 LEU 65 2HD1 LEU 65 6.032 6.752 -6.918 515 2HD1 LEU 65 1HD1 LEU 65 5.274 8.330 -7.042 516 3HD1 LEU 65 3HD1 LEU 65 5.555 7.385 -8.481 517 1HD2 LEU 65 1HD2 LEU 65 6.425 10.229 -8.044 518 2HD2 LEU 65 3HD2 LEU 65 8.018 10.041 -8.772 519 3HD2 LEU 65 2HD2 LEU 65 6.635 9.255 -9.477 520 H MET 66 H MET 66 10.248 11.642 -7.144 521 HA MET 66 HA MET 66 8.050 13.614 -6.512 522 1HB MET 66 2HB MET 66 10.214 13.568 -5.329 523 2HB MET 66 1HB MET 66 10.952 14.010 -6.871 524 1HG MET 66 2HG MET 66 9.641 16.118 -6.935 525 2HG MET 66 1HG MET 66 8.826 15.693 -5.456 526 1HE MET 66 3HE MET 66 12.271 16.134 -7.040 527 2HE MET 66 2HE MET 66 11.567 17.767 -7.008 528 3HE MET 66 1HE MET 66 12.981 17.376 -6.038 529 H SER 67 H SER 67 7.758 12.383 -8.579 530 HA SER 67 HA SER 67 8.543 13.959 -11.057 531 1HB SER 67 2HB SER 67 8.820 11.410 -10.972 532 2HB SER 67 1HB SER 67 7.056 11.331 -11.173 533 HG SER 67 HG SER 67 7.979 11.533 -13.199 534 HA PRO 68 HA PRO 68 4.487 15.408 -9.320 535 1HB PRO 68 2HB PRO 68 4.474 17.944 -10.465 536 2HB PRO 68 1HB PRO 68 5.340 17.522 -8.987 537 1HG PRO 68 2HG PRO 68 6.400 17.427 -11.874 538 2HG PRO 68 1HG PRO 68 7.104 18.327 -10.522 539 1HD PRO 68 2HD PRO 68 8.138 15.962 -11.029 540 2HD PRO 68 1HD PRO 68 7.636 16.236 -9.342 541 H GLY 69 H GLY 69 3.469 13.705 -10.700 542 1HA GLY 69 2HA GLY 69 1.132 13.802 -11.725 543 2HA GLY 69 1HA GLY 69 1.765 14.968 -12.859 544 H GLN 70 H GLN 70 4.066 12.622 -12.512 545 HA GLN 70 HA GLN 70 3.090 11.257 -14.987 546 1HB GLN 70 2HB GLN 70 5.139 12.529 -15.208 547 2HB GLN 70 1HB GLN 70 5.809 11.838 -13.758 548 1HG GLN 70 2HG GLN 70 5.151 9.917 -16.043 549 2HG GLN 70 1HG GLN 70 6.584 10.918 -16.174 550 1HE2 GLN 70 2HE2 GLN 70 6.879 7.737 -13.949 551 2HE2 GLN 70 1HE2 GLN 70 5.598 7.944 -15.053 552 H SER 71 H SER 71 3.190 9.017 -15.222 553 HA SER 71 HA SER 71 3.213 7.465 -12.677 554 1HB SER 71 2HB SER 71 1.528 6.018 -13.839 555 2HB SER 71 1HB SER 71 1.056 7.694 -13.533 556 HG SER 71 HG SER 71 0.971 6.686 -15.747 557 H THR 72 H THR 72 3.724 5.379 -12.559 558 HA THR 72 HA THR 72 5.615 4.266 -14.659 559 HB THR 72 HB THR 72 6.863 4.658 -12.637 560 HG1 THR 72 HG1 THR 72 6.591 1.953 -12.385 561 1HG2 THR 72 3HG2 THR 72 4.967 2.621 -11.350 562 2HG2 THR 72 2HG2 THR 72 6.386 3.354 -10.617 563 3HG2 THR 72 1HG2 THR 72 4.983 4.345 -10.971 564 H SER 73 H SER 73 5.572 2.111 -15.114 565 HA SER 73 HA SER 73 3.024 0.496 -14.644 566 1HB SER 73 2HB SER 73 3.522 1.027 -17.007 567 2HB SER 73 1HB SER 73 5.074 0.174 -16.851 568 HG SER 73 HG SER 73 3.978 -1.689 -16.819 569 H THR 74 H THR 74 3.314 -0.792 -12.987 570 HA THR 74 HA THR 74 5.886 -2.340 -12.767 571 HB THR 74 HB THR 74 3.843 -1.601 -10.601 572 HG1 THR 74 HG1 THR 74 6.406 -1.053 -10.147 573 1HG2 THR 74 1HG2 THR 74 6.552 -3.061 -10.396 574 2HG2 THR 74 3HG2 THR 74 5.480 -2.662 -9.066 575 3HG2 THR 74 2HG2 THR 74 5.022 -3.904 -10.210 576 H THR 75 H THR 75 5.804 -4.402 -13.153 577 HA THR 75 HA THR 75 3.135 -5.806 -13.361 578 HB THR 75 HB THR 75 5.718 -6.545 -14.821 579 HG1 THR 75 HG1 THR 75 3.917 -4.604 -15.126 580 1HG2 THR 75 2HG2 THR 75 2.768 -7.226 -15.301 581 2HG2 THR 75 1HG2 THR 75 4.142 -7.806 -16.212 582 3HG2 THR 75 3HG2 THR 75 3.869 -8.389 -14.580 583 H PHE 76 H PHE 76 2.914 -7.833 -12.602 584 HA PHE 76 HA PHE 76 4.890 -8.758 -10.520 585 1HB PHE 76 2HB PHE 76 1.933 -9.123 -10.814 586 2HB PHE 76 1HB PHE 76 2.838 -9.956 -9.571 587 HD1 PHE 76 HD1 PHE 76 2.199 -6.524 -10.926 588 HD2 PHE 76 HD2 PHE 76 3.004 -8.899 -7.501 589 HE1 PHE 76 HE1 PHE 76 1.936 -4.551 -9.504 590 HE2 PHE 76 HE2 PHE 76 2.728 -6.933 -6.070 591 HZ PHE 76 HZ PHE 76 2.188 -4.747 -7.081 592 HA PRO 77 HA PRO 77 4.908 -12.483 -13.160 593 1HB PRO 77 2HB PRO 77 7.409 -12.346 -14.185 594 2HB PRO 77 1HB PRO 77 6.017 -11.540 -14.893 595 1HG PRO 77 2HG PRO 77 8.338 -10.143 -13.592 596 2HG PRO 77 1HG PRO 77 6.903 -9.370 -14.248 597 1HD PRO 77 2HD PRO 77 7.335 -10.286 -11.342 598 2HD PRO 77 1HD PRO 77 6.498 -8.846 -11.917 599 H ALA 78 H ALA 78 8.230 -12.091 -12.546 600 HA ALA 78 HA ALA 78 9.578 -14.009 -11.625 601 1HB ALA 78 1HB ALA 78 10.042 -11.664 -10.667 602 2HB ALA 78 3HB ALA 78 8.757 -11.930 -9.491 603 3HB ALA 78 2HB ALA 78 10.217 -12.893 -9.422 604 H ASP 79 H ASP 79 8.097 -15.550 -11.970 605 HA ASP 79 HA ASP 79 5.836 -16.342 -10.971 606 1HB ASP 79 2HB ASP 79 8.562 -17.983 -11.243 607 2HB ASP 79 1HB ASP 79 7.014 -18.741 -11.601 608 H ALA 80 H ALA 80 5.632 -15.235 -9.562 609 HA ALA 80 HA ALA 80 6.147 -16.046 -6.797 610 1HB ALA 80 1HB ALA 80 4.721 -13.677 -8.133 611 2HB ALA 80 3HB ALA 80 5.001 -13.715 -6.406 612 3HB ALA 80 2HB ALA 80 6.346 -13.663 -7.520 613 HA PRO 81 HA PRO 81 2.112 -17.749 -6.051 614 1HB PRO 81 2HB PRO 81 2.086 -17.922 -3.391 615 2HB PRO 81 1HB PRO 81 3.472 -18.575 -4.283 616 1HG PRO 81 2HG PRO 81 3.225 -15.793 -2.975 617 2HG PRO 81 1HG PRO 81 4.515 -16.970 -2.738 618 1HD PRO 81 2HD PRO 81 4.618 -14.884 -4.641 619 2HD PRO 81 1HD PRO 81 5.568 -16.380 -4.771 620 H ALA 82 H ALA 82 0.126 -17.545 -4.627 621 HA ALA 82 HA ALA 82 -1.118 -14.934 -5.212 622 1HB ALA 82 1HB ALA 82 -2.264 -17.605 -4.260 623 2HB ALA 82 3HB ALA 82 -3.230 -16.226 -4.761 624 3HB ALA 82 2HB ALA 82 -2.202 -17.040 -5.926 625 H GLY 83 H GLY 83 -2.722 -14.134 -3.620 626 1HA GLY 83 2HA GLY 83 -3.330 -13.929 -1.126 627 2HA GLY 83 1HA GLY 83 -1.624 -14.172 -0.778 628 H GLU 84 H GLU 84 -2.126 -12.143 0.499 629 HA GLU 84 HA GLU 84 -2.220 -9.675 -1.132 630 1HB GLU 84 2HB GLU 84 -2.567 -10.221 1.791 631 2HB GLU 84 1HB GLU 84 -2.323 -8.601 1.207 632 1HG GLU 84 2HG GLU 84 -4.365 -8.915 -0.327 633 2HG GLU 84 1HG GLU 84 -4.656 -10.448 0.500 634 H TYR 85 H TYR 85 -0.679 -8.467 -1.613 635 HA TYR 85 HA TYR 85 1.949 -8.445 -0.098 636 1HB TYR 85 2HB TYR 85 1.434 -7.658 -2.978 637 2HB TYR 85 1HB TYR 85 2.962 -7.584 -2.149 638 HD1 TYR 85 HD1 TYR 85 4.196 -9.600 -1.606 639 HD2 TYR 85 HD2 TYR 85 0.469 -9.790 -3.644 640 HE1 TYR 85 HE1 TYR 85 4.655 -11.952 -2.276 641 HE2 TYR 85 HE2 TYR 85 0.962 -12.128 -4.292 642 HH TYR 85 HH TYR 85 2.356 -13.733 -4.242 643 H THR 86 H THR 86 2.472 -6.368 0.798 644 HA THR 86 HA THR 86 0.620 -4.116 0.079 645 HB THR 86 HB THR 86 1.460 -5.120 2.701 646 HG1 THR 86 HG1 THR 86 -0.258 -3.204 1.524 647 1HG2 THR 86 1HG2 THR 86 1.469 -2.080 2.241 648 2HG2 THR 86 3HG2 THR 86 1.588 -2.920 3.774 649 3HG2 THR 86 2HG2 THR 86 2.935 -2.978 2.645 650 H PHE 87 H PHE 87 1.206 -2.176 -0.274 651 HA PHE 87 HA PHE 87 4.039 -1.600 -0.757 652 1HB PHE 87 2HB PHE 87 2.695 0.293 -2.298 653 2HB PHE 87 1HB PHE 87 3.450 -1.171 -2.861 654 HD1 PHE 87 HD1 PHE 87 1.970 -3.335 -2.518 655 HD2 PHE 87 HD2 PHE 87 0.449 0.611 -2.855 656 HE1 PHE 87 HE1 PHE 87 -0.145 -4.244 -3.210 657 HE2 PHE 87 HE2 PHE 87 -1.708 -0.278 -3.574 658 HZ PHE 87 HZ PHE 87 -2.046 -2.719 -3.766 659 H TYR 88 H TYR 88 4.762 -0.023 0.747 660 HA TYR 88 HA TYR 88 2.855 1.942 1.860 661 1HB TYR 88 2HB TYR 88 4.455 1.954 3.864 662 2HB TYR 88 1HB TYR 88 3.457 0.535 3.595 663 HD1 TYR 88 HD1 TYR 88 4.418 -1.467 2.520 664 HD2 TYR 88 HD2 TYR 88 6.896 1.807 3.636 665 HE1 TYR 88 HE1 TYR 88 6.380 -2.883 2.320 666 HE2 TYR 88 HE2 TYR 88 8.867 0.350 3.427 667 HH TYR 88 HH TYR 88 8.674 -2.786 2.045 668 H CYS 89 H CYS 89 3.261 4.150 1.586 669 HA CYS 89 HA CYS 89 5.757 5.016 0.251 670 1HB CYS 89 2HB CYS 89 3.310 6.411 1.241 671 2HB CYS 89 1HB CYS 89 4.734 7.342 0.854 672 H GLU 90 H GLU 90 7.360 4.424 2.115 673 HA GLU 90 HA GLU 90 7.549 5.042 4.696 674 1HB GLU 90 2HB GLU 90 9.515 5.755 2.500 675 2HB GLU 90 1HB GLU 90 9.918 6.109 4.167 676 1HG GLU 90 2HG GLU 90 9.629 3.665 4.713 677 2HG GLU 90 1HG GLU 90 9.170 3.342 3.049 678 HA PRO 91 HA PRO 91 8.095 9.823 4.997 679 1HB PRO 91 2HB PRO 91 8.093 11.384 2.767 680 2HB PRO 91 1HB PRO 91 9.534 10.500 3.286 681 1HG PRO 91 2HG PRO 91 7.394 9.516 1.286 682 2HG PRO 91 1HG PRO 91 9.132 9.681 0.995 683 1HD PRO 91 2HD PRO 91 8.251 7.285 1.756 684 2HD PRO 91 1HD PRO 91 9.697 7.936 2.555 685 H HIS 92 HN HIP 92 5.624 8.463 3.300 686 HA HIS 92 HA HIP 92 3.662 10.671 3.920 687 1HB HIS 92 2HB HIP 92 3.410 8.321 1.959 688 2HB HIS 92 1HB HIP 92 2.152 9.490 2.251 689 HD2 HIS 92 HD2 HIP 92 4.479 12.019 2.278 690 HE1 HIS 92 HE1 HIP 92 4.487 11.166 -1.785 691 HE2 HIS 92 HE2 HIP 92 5.048 12.781 -0.069 692 H ARG 93 H ARG 93 4.213 7.272 4.096 693 HA ARG 93 HA ARG 93 2.271 5.854 5.139 694 1HB ARG 93 2HB ARG 93 4.720 5.254 5.258 695 2HB ARG 93 1HB ARG 93 4.872 6.163 6.732 696 1HG ARG 93 2HG ARG 93 2.559 4.236 6.809 697 2HG ARG 93 1HG ARG 93 4.073 3.439 6.492 698 1HD ARG 93 2HD ARG 93 3.683 3.404 8.877 699 2HD ARG 93 1HD ARG 93 5.047 4.474 8.552 700 HE ARG 93 HE ARG 93 3.390 6.429 8.763 701 1HH1 ARG 93 2HH1 ARG 93 0.981 6.169 8.927 702 2HH1 ARG 93 1HH1 ARG 93 0.513 5.754 10.523 703 1HH2 ARG 93 1HH2 ARG 93 3.716 4.594 11.109 704 2HH2 ARG 93 2HH2 ARG 93 2.145 4.748 11.841 705 H GLY 94 H GLY 94 3.781 8.185 7.202 706 1HA GLY 94 2HA GLY 94 2.602 8.155 9.698 707 2HA GLY 94 1HA GLY 94 2.702 9.678 8.826 708 H ALA 95 H ALA 95 1.065 9.543 6.950 709 HA ALA 95 HA ALA 95 -1.667 9.427 8.159 710 1HB ALA 95 2HB ALA 95 -0.788 11.643 7.325 711 2HB ALA 95 1HB ALA 95 -0.518 10.925 5.741 712 3HB ALA 95 3HB ALA 95 -2.151 11.114 6.345 713 H GLY 96 H GLY 96 -1.483 7.241 7.894 714 1HA GLY 96 2HA GLY 96 -1.470 5.085 6.743 715 2HA GLY 96 1HA GLY 96 -3.072 5.707 6.484 716 H MET 97 H MET 97 -0.187 6.660 4.716 717 HA MET 97 HA MET 97 -1.601 6.000 2.197 718 1HB MET 97 2HB MET 97 -0.323 8.104 2.464 719 2HB MET 97 1HB MET 97 1.169 7.213 2.712 720 1HG MET 97 2HG MET 97 1.135 6.371 0.437 721 2HG MET 97 1HG MET 97 -0.535 6.803 0.245 722 1HE MET 97 3HE MET 97 -1.392 8.313 -0.864 723 2HE MET 97 2HE MET 97 -0.805 9.863 -1.387 724 3HE MET 97 1HE MET 97 -0.345 8.400 -2.271 725 H VAL 98 H VAL 98 -1.570 3.826 3.190 726 HA VAL 98 HA VAL 98 0.618 2.036 2.143 727 HB VAL 98 HB VAL 98 0.473 2.053 4.510 728 1HG1 VAL 98 2HG1 VAL 98 -1.961 2.582 4.798 729 2HG1 VAL 98 1HG1 VAL 98 -2.377 1.009 4.157 730 3HG1 VAL 98 3HG1 VAL 98 -1.523 1.129 5.678 731 1HG2 VAL 98 2HG2 VAL 98 1.086 -0.075 3.336 732 2HG2 VAL 98 1HG2 VAL 98 0.217 -0.410 4.823 733 3HG2 VAL 98 3HG2 VAL 98 -0.605 -0.538 3.285 734 H GLY 99 H GLY 99 -0.033 0.478 0.620 735 1HA GLY 99 2HA GLY 99 -2.979 -0.086 0.200 736 2HA GLY 99 1HA GLY 99 -1.911 0.172 -1.161 737 H LYS 100 H LYS 100 -3.530 -2.053 -0.849 738 HA LYS 100 HA LYS 100 -1.544 -4.260 -0.691 739 1HB LYS 100 2HB LYS 100 -4.299 -4.112 0.502 740 2HB LYS 100 1HB LYS 100 -3.675 -5.679 0.024 741 1HG LYS 100 2HG LYS 100 -1.585 -5.106 1.383 742 2HG LYS 100 1HG LYS 100 -2.499 -3.808 2.131 743 1HD LYS 100 2HD LYS 100 -3.119 -6.816 2.072 744 2HD LYS 100 1HD LYS 100 -2.610 -5.911 3.482 745 1HE LYS 100 2HE LYS 100 -4.758 -4.665 3.424 746 2HE LYS 100 1HE LYS 100 -5.223 -5.564 1.974 747 1HZ LYS 100 2HZ LYS 100 -4.302 -7.471 3.760 748 2HZ LYS 100 1HZ LYS 100 -5.430 -6.575 4.664 749 3HZ LYS 100 3HZ LYS 100 -5.757 -7.337 3.169 750 H ILE 101 H ILE 101 -1.417 -5.548 -2.275 751 HA ILE 101 HA ILE 101 -3.560 -5.629 -4.400 752 HB ILE 101 HB ILE 101 -1.069 -4.837 -4.944 753 1HG1 ILE 101 2HG1 ILE 101 -2.657 -6.869 -6.534 754 2HG1 ILE 101 1HG1 ILE 101 -2.767 -5.129 -6.641 755 1HG2 ILE 101 2HG2 ILE 101 -0.064 -6.922 -3.898 756 2HG2 ILE 101 1HG2 ILE 101 -0.811 -7.886 -5.168 757 3HG2 ILE 101 3HG2 ILE 101 0.425 -6.715 -5.574 758 1HD1 ILE 101 1HD1 ILE 101 -0.352 -5.062 -7.393 759 2HD1 ILE 101 3HD1 ILE 101 -0.327 -6.807 -7.444 760 3HD1 ILE 101 2HD1 ILE 101 -1.364 -5.938 -8.521 761 H THR 102 H THR 102 -4.371 -7.702 -4.792 762 HA THR 102 HA THR 102 -3.365 -9.974 -3.095 763 HB THR 102 HB THR 102 -6.064 -10.309 -4.393 764 HG1 THR 102 HG1 THR 102 -5.986 -8.872 -2.002 765 1HG2 THR 102 3HG2 THR 102 -5.098 -10.545 -1.522 766 2HG2 THR 102 2HG2 THR 102 -6.628 -11.115 -2.163 767 3HG2 THR 102 1HG2 THR 102 -5.123 -11.882 -2.654 768 H VAL 103 H VAL 103 -2.082 -11.332 -4.372 769 HA VAL 103 HA VAL 103 -2.598 -11.426 -7.291 770 HB VAL 103 HB VAL 103 -0.617 -12.920 -5.475 771 1HG1 VAL 103 2HG1 VAL 103 -0.792 -12.952 -8.537 772 2HG1 VAL 103 1HG1 VAL 103 0.460 -13.722 -7.582 773 3HG1 VAL 103 3HG1 VAL 103 -1.177 -14.321 -7.515 774 1HG2 VAL 103 3HG2 VAL 103 -0.091 -10.481 -5.944 775 2HG2 VAL 103 2HG2 VAL 103 1.111 -11.596 -6.579 776 3HG2 VAL 103 1HG2 VAL 103 -0.052 -10.884 -7.659 777 H ALA 104 H ALA 104 -3.571 -13.004 -8.349 778 HA ALA 104 HA ALA 104 -4.896 -15.216 -6.829 779 1HB ALA 104 3HB ALA 104 -6.410 -13.364 -7.517 780 2HB ALA 104 2HB ALA 104 -5.892 -13.538 -9.178 781 3HB ALA 104 1HB ALA 104 -6.825 -14.812 -8.423 782 H GLY 105 HN GLY 105 -6.028 -16.459 -9.061 783 1HA GLY 105 2HA GLY 105 -3.796 -17.634 -10.645 784 2HA GLY 105 1HA GLY 105 -4.965 -18.665 -9.801 No H/Q in entry = 784 Start of MODEL 17 1 1H GLU 1 2H GLU 1 -3.688 -5.222 -15.024 2 2H GLU 1 1H GLU 1 -4.575 -5.962 -16.240 3 3H GLU 1 3H GLU 1 -3.013 -6.441 -15.936 4 HA GLU 1 HA GLU 1 -2.127 -4.872 -17.273 5 1HB GLU 1 2HB GLU 1 -5.078 -4.085 -17.724 6 2HB GLU 1 1HB GLU 1 -3.759 -3.565 -18.738 7 1HG GLU 1 2HG GLU 1 -4.992 -5.473 -19.826 8 2HG GLU 1 1HG GLU 1 -3.362 -5.972 -19.470 9 H THR 2 H THR 2 -1.508 -2.414 -17.002 10 HA THR 2 HA THR 2 -1.663 -1.463 -14.469 11 HB THR 2 HB THR 2 -1.418 0.935 -15.746 12 HG1 THR 2 HG1 THR 2 -2.034 0.763 -17.679 13 1HG2 THR 2 2HG2 THR 2 0.633 -0.609 -15.413 14 2HG2 THR 2 1HG2 THR 2 0.223 -1.327 -16.979 15 3HG2 THR 2 3HG2 THR 2 0.640 0.377 -16.872 16 H TYR 3 H TYR 3 -3.472 -2.064 -13.657 17 HA TYR 3 HA TYR 3 -5.842 -0.266 -13.885 18 1HB TYR 3 2HB TYR 3 -5.215 -2.308 -11.633 19 2HB TYR 3 1HB TYR 3 -6.803 -1.737 -12.081 20 HD1 TYR 3 HD1 TYR 3 -7.107 -2.199 -14.904 21 HD2 TYR 3 HD2 TYR 3 -4.974 -4.563 -12.084 22 HE1 TYR 3 HE1 TYR 3 -7.366 -4.188 -16.346 23 HE2 TYR 3 HE2 TYR 3 -5.247 -6.519 -13.522 24 HH TYR 3 HH TYR 3 -6.717 -6.284 -16.704 25 H THR 4 H THR 4 -4.444 1.469 -13.745 26 HA THR 4 HA THR 4 -2.562 2.201 -11.848 27 HB THR 4 HB THR 4 -3.247 3.585 -14.007 28 HG1 THR 4 HG1 THR 4 -2.149 5.000 -12.940 29 1HG2 THR 4 1HG2 THR 4 -5.713 3.826 -13.338 30 2HG2 THR 4 3HG2 THR 4 -5.171 4.853 -12.018 31 3HG2 THR 4 2HG2 THR 4 -4.865 5.336 -13.671 32 H VAL 5 H VAL 5 -2.221 3.199 -10.169 33 HA VAL 5 HA VAL 5 -4.521 3.461 -8.268 34 HB VAL 5 HB VAL 5 -1.545 3.007 -7.727 35 1HG1 VAL 5 3HG1 VAL 5 -3.972 3.016 -5.843 36 2HG1 VAL 5 2HG1 VAL 5 -2.325 2.639 -5.364 37 3HG1 VAL 5 1HG1 VAL 5 -2.742 4.263 -5.881 38 1HG2 VAL 5 2HG2 VAL 5 -3.942 1.125 -7.447 39 2HG2 VAL 5 1HG2 VAL 5 -2.699 0.998 -8.669 40 3HG2 VAL 5 3HG2 VAL 5 -2.294 0.739 -6.985 41 H LYS 6 H LYS 6 -4.951 5.291 -7.498 42 HA LYS 6 HA LYS 6 -3.600 7.751 -8.347 43 1HB LYS 6 2HB LYS 6 -6.010 7.332 -6.543 44 2HB LYS 6 1HB LYS 6 -5.470 8.872 -7.188 45 1HG LYS 6 2HG LYS 6 -6.058 8.080 -9.509 46 2HG LYS 6 1HG LYS 6 -6.491 6.521 -8.851 47 1HD LYS 6 2HD LYS 6 -8.577 7.844 -9.083 48 2HD LYS 6 1HD LYS 6 -8.249 7.566 -7.387 49 1HE LYS 6 2HE LYS 6 -7.261 9.858 -7.196 50 2HE LYS 6 1HE LYS 6 -7.566 10.126 -8.908 51 1HZ LYS 6 1HZ LYS 6 -9.931 9.147 -7.625 52 2HZ LYS 6 3HZ LYS 6 -9.387 10.503 -6.767 53 3HZ LYS 6 2HZ LYS 6 -9.736 10.628 -8.404 54 H LEU 7 H LEU 7 -1.910 8.440 -7.209 55 HA LEU 7 HA LEU 7 -1.709 7.884 -4.283 56 1HB LEU 7 2HB LEU 7 0.222 9.168 -6.271 57 2HB LEU 7 1HB LEU 7 0.626 8.836 -4.619 58 HG LEU 7 HG LEU 7 -0.328 6.418 -5.448 59 1HD1 LEU 7 2HD1 LEU 7 1.198 7.558 -7.754 60 2HD1 LEU 7 1HD1 LEU 7 0.776 5.869 -7.530 61 3HD1 LEU 7 3HD1 LEU 7 -0.488 7.049 -7.730 62 1HD2 LEU 7 1HD2 LEU 7 1.852 6.888 -4.196 63 2HD2 LEU 7 3HD2 LEU 7 2.141 5.779 -5.526 64 3HD2 LEU 7 2HD2 LEU 7 2.545 7.477 -5.699 65 H GLY 8 H GLY 8 -3.613 9.073 -4.432 66 1HA GLY 8 2HA GLY 8 -4.325 11.007 -2.978 67 2HA GLY 8 1HA GLY 8 -3.389 12.057 -4.030 68 H SER 9 H SER 9 -5.949 12.526 -3.460 69 HA SER 9 HA SER 9 -7.310 11.938 -6.105 70 1HB SER 9 2HB SER 9 -8.411 10.856 -3.981 71 2HB SER 9 1HB SER 9 -8.972 12.497 -3.636 72 HG SER 9 HG SER 9 -10.262 12.392 -5.323 73 H ASP 10 H ASP 10 -8.486 13.317 -7.095 74 HA ASP 10 HA ASP 10 -8.535 15.441 -8.153 75 1HB ASP 10 2HB ASP 10 -10.744 14.892 -7.196 76 2HB ASP 10 1HB ASP 10 -10.273 15.485 -5.611 77 H LYS 11 H LYS 11 -9.110 17.291 -5.455 78 HA LYS 11 HA LYS 11 -6.456 18.667 -5.711 79 1HB LYS 11 2HB LYS 11 -9.108 19.763 -5.151 80 2HB LYS 11 1HB LYS 11 -7.642 20.712 -5.298 81 1HG LYS 11 2HG LYS 11 -7.273 19.886 -7.649 82 2HG LYS 11 1HG LYS 11 -8.674 18.854 -7.542 83 1HD LYS 11 2HD LYS 11 -8.796 21.885 -7.242 84 2HD LYS 11 1HD LYS 11 -9.132 21.048 -8.741 85 1HE LYS 11 2HE LYS 11 -10.596 20.394 -6.176 86 2HE LYS 11 1HE LYS 11 -11.145 21.663 -7.255 87 1HZ LYS 11 1HZ LYS 11 -10.505 19.157 -8.627 88 2HZ LYS 11 3HZ LYS 11 -11.521 18.887 -7.454 89 3HZ LYS 11 2HZ LYS 11 -12.012 19.947 -8.648 90 H GLY 12 H GLY 12 -7.244 16.594 -3.548 91 1HA GLY 12 2HA GLY 12 -6.757 18.425 -1.170 92 2HA GLY 12 1HA GLY 12 -7.855 17.104 -1.048 93 H LEU 13 H LEU 13 -6.810 14.914 -1.096 94 HA LEU 13 HA LEU 13 -4.158 15.072 0.317 95 1HB LEU 13 2HB LEU 13 -6.475 13.183 0.897 96 2HB LEU 13 1HB LEU 13 -4.939 13.149 1.730 97 HG LEU 13 HG LEU 13 -6.830 15.547 1.742 98 1HD1 LEU 13 3HD1 LEU 13 -6.221 13.391 3.829 99 2HD1 LEU 13 2HD1 LEU 13 -7.271 14.774 4.070 100 3HD1 LEU 13 1HD1 LEU 13 -7.725 13.522 2.934 101 1HD2 LEU 13 3HD2 LEU 13 -4.343 14.872 3.396 102 2HD2 LEU 13 2HD2 LEU 13 -4.411 16.106 2.145 103 3HD2 LEU 13 1HD2 LEU 13 -5.365 16.281 3.596 104 H LEU 14 H LEU 14 -2.697 13.355 0.354 105 HA LEU 14 HA LEU 14 -2.394 11.929 -2.133 106 1HB LEU 14 2HB LEU 14 -0.180 11.490 -0.679 107 2HB LEU 14 1HB LEU 14 -0.446 13.010 -1.487 108 HG LEU 14 HG LEU 14 0.313 13.004 0.889 109 1HD1 LEU 14 2HD1 LEU 14 -1.920 14.851 0.173 110 2HD1 LEU 14 1HD1 LEU 14 -0.915 14.980 1.606 111 3HD1 LEU 14 3HD1 LEU 14 -0.200 15.015 0.021 112 1HD2 LEU 14 3HD2 LEU 14 -0.955 11.313 1.862 113 2HD2 LEU 14 2HD2 LEU 14 -1.243 12.817 2.724 114 3HD2 LEU 14 1HD2 LEU 14 -2.458 12.160 1.640 115 H VAL 15 H VAL 15 -4.433 10.688 -1.271 116 HA VAL 15 HA VAL 15 -3.826 8.414 0.505 117 HB VAL 15 HB VAL 15 -6.182 7.750 0.085 118 1HG1 VAL 15 2HG1 VAL 15 -5.811 9.658 1.645 119 2HG1 VAL 15 1HG1 VAL 15 -5.948 10.790 0.311 120 3HG1 VAL 15 3HG1 VAL 15 -7.333 9.824 0.788 121 1HG2 VAL 15 1HG2 VAL 15 -6.213 9.926 -2.069 122 2HG2 VAL 15 3HG2 VAL 15 -6.277 8.195 -2.363 123 3HG2 VAL 15 2HG2 VAL 15 -7.591 8.978 -1.528 124 H PHE 16 H PHE 16 -4.413 6.184 -0.290 125 HA PHE 16 HA PHE 16 -3.109 5.625 -2.933 126 1HB PHE 16 2HB PHE 16 -2.671 4.671 -0.222 127 2HB PHE 16 1HB PHE 16 -3.227 3.308 -1.129 128 HD1 PHE 16 HD2 PHE 16 -1.435 4.897 -3.683 129 HD2 PHE 16 HD1 PHE 16 -0.885 3.053 0.105 130 HE1 PHE 16 HE2 PHE 16 0.876 4.361 -4.267 131 HE2 PHE 16 HE1 PHE 16 1.421 2.527 -0.460 132 HZ PHE 16 HZ PHE 16 2.315 3.164 -2.652 133 H GLU 17 H GLU 17 -5.140 5.903 -4.016 134 HA GLU 17 HA GLU 17 -7.040 3.646 -3.556 135 1HB GLU 17 2HB GLU 17 -7.470 6.428 -4.615 136 2HB GLU 17 1HB GLU 17 -8.703 5.184 -4.749 137 1HG GLU 17 2HG GLU 17 -7.461 5.813 -2.029 138 2HG GLU 17 1HG GLU 17 -8.870 6.671 -2.611 139 HA PRO 18 HA PRO 18 -8.592 2.453 -4.231 140 1HB PRO 18 2HB PRO 18 -9.335 0.159 -5.294 141 2HB PRO 18 1HB PRO 18 -9.712 1.680 -6.120 142 1HG PRO 18 2HG PRO 18 -7.320 -0.193 -6.651 143 2HG PRO 18 1HG PRO 18 -8.474 0.402 -7.843 144 1HD PRO 18 2HD PRO 18 -6.028 1.658 -7.336 145 2HD PRO 18 1HD PRO 18 -7.434 2.543 -7.937 146 H ALA 19 H ALA 19 -7.296 2.270 -2.458 147 HA ALA 19 HA ALA 19 -5.132 0.966 -1.654 148 1HB ALA 19 2HB ALA 19 -7.801 1.105 -0.196 149 2HB ALA 19 1HB ALA 19 -6.251 0.853 0.608 150 3HB ALA 19 3HB ALA 19 -6.578 2.345 -0.264 151 H LYS 20 H LYS 20 -8.102 -0.766 -1.931 152 HA LYS 20 HA LYS 20 -6.706 -3.378 -1.418 153 1HB LYS 20 2HB LYS 20 -8.803 -2.429 -0.078 154 2HB LYS 20 1HB LYS 20 -9.714 -3.063 -1.418 155 1HG LYS 20 2HG LYS 20 -7.810 -4.715 0.322 156 2HG LYS 20 1HG LYS 20 -9.524 -4.621 0.554 157 1HD LYS 20 2HD LYS 20 -9.288 -6.686 -0.554 158 2HD LYS 20 1HD LYS 20 -9.849 -5.597 -1.797 159 1HE LYS 20 2HE LYS 20 -7.899 -5.728 -3.064 160 2HE LYS 20 1HE LYS 20 -6.875 -5.953 -1.655 161 1HZ LYS 20 3HZ LYS 20 -8.625 -8.147 -1.792 162 2HZ LYS 20 2HZ LYS 20 -8.077 -7.886 -3.373 163 3HZ LYS 20 1HZ LYS 20 -6.962 -8.094 -2.145 164 H LEU 21 H LEU 21 -5.933 -3.166 -3.698 165 HA LEU 21 HA LEU 21 -7.990 -3.936 -5.731 166 1HB LEU 21 2HB LEU 21 -6.370 -2.081 -6.182 167 2HB LEU 21 1HB LEU 21 -5.064 -3.212 -6.031 168 HG LEU 21 HG LEU 21 -5.797 -2.561 -8.442 169 1HD1 LEU 21 2HD1 LEU 21 -5.462 -5.530 -7.746 170 2HD1 LEU 21 1HD1 LEU 21 -5.303 -4.831 -9.323 171 3HD1 LEU 21 3HD1 LEU 21 -4.197 -4.371 -8.053 172 1HD2 LEU 21 2HD2 LEU 21 -8.246 -3.039 -8.297 173 2HD2 LEU 21 1HD2 LEU 21 -7.449 -3.999 -9.525 174 3HD2 LEU 21 3HD2 LEU 21 -7.912 -4.739 -8.041 175 H THR 22 H THR 22 -8.071 -5.788 -6.727 176 HA THR 22 HA THR 22 -6.208 -8.017 -5.922 177 HB THR 22 HB THR 22 -9.024 -8.342 -7.053 178 HG1 THR 22 HG1 THR 22 -9.581 -8.460 -5.062 179 1HG2 THR 22 1HG2 THR 22 -7.334 -10.285 -7.270 180 2HG2 THR 22 3HG2 THR 22 -7.122 -10.218 -5.533 181 3HG2 THR 22 2HG2 THR 22 -8.686 -10.646 -6.212 182 H ILE 23 H ILE 23 -4.819 -8.428 -7.583 183 HA ILE 23 HA ILE 23 -5.587 -7.794 -10.354 184 HB ILE 23 HB ILE 23 -3.041 -8.462 -10.823 185 1HG1 ILE 23 2HG1 ILE 23 -2.533 -7.892 -7.980 186 2HG1 ILE 23 1HG1 ILE 23 -2.950 -9.502 -8.494 187 1HG2 ILE 23 1HG2 ILE 23 -3.904 -6.203 -10.991 188 2HG2 ILE 23 3HG2 ILE 23 -3.519 -5.958 -9.286 189 3HG2 ILE 23 2HG2 ILE 23 -2.259 -6.307 -10.461 190 1HD1 ILE 23 2HD1 ILE 23 -0.765 -7.840 -9.837 191 2HD1 ILE 23 1HD1 ILE 23 -0.417 -9.115 -8.697 192 3HD1 ILE 23 3HD1 ILE 23 -1.182 -9.493 -10.225 193 H LYS 24 H LYS 24 -4.525 -9.299 -11.905 194 HA LYS 24 HA LYS 24 -5.620 -11.903 -11.305 195 1HB LYS 24 2HB LYS 24 -4.442 -10.658 -13.810 196 2HB LYS 24 1HB LYS 24 -5.340 -12.174 -13.819 197 1HG LYS 24 2HG LYS 24 -7.399 -11.183 -13.651 198 2HG LYS 24 1HG LYS 24 -6.858 -9.945 -12.557 199 1HD LYS 24 2HD LYS 24 -7.430 -8.946 -14.762 200 2HD LYS 24 1HD LYS 24 -5.726 -8.751 -14.410 201 1HE LYS 24 2HE LYS 24 -5.324 -10.905 -15.767 202 2HE LYS 24 1HE LYS 24 -7.010 -10.785 -16.257 203 1HZ LYS 24 3HZ LYS 24 -5.901 -8.209 -16.443 204 2HZ LYS 24 2HZ LYS 24 -4.777 -9.144 -17.150 205 3HZ LYS 24 1HZ LYS 24 -6.329 -9.067 -17.748 206 HA PRO 25 HA PRO 25 -1.653 -14.018 -10.735 207 1HB PRO 25 2HB PRO 25 -1.527 -15.883 -12.802 208 2HB PRO 25 1HB PRO 25 -2.464 -16.075 -11.318 209 1HG PRO 25 2HG PRO 25 -3.444 -14.865 -13.976 210 2HG PRO 25 1HG PRO 25 -4.183 -16.199 -13.079 211 1HD PRO 25 2HD PRO 25 -5.191 -13.819 -12.683 212 2HD PRO 25 1HD PRO 25 -4.756 -14.708 -11.220 213 H GLY 26 H GLY 26 -0.763 -11.661 -11.525 214 1HA GLY 26 2HA GLY 26 1.514 -11.122 -12.236 215 2HA GLY 26 1HA GLY 26 1.444 -12.363 -13.450 216 H ASP 27 H ASP 27 -0.885 -9.735 -13.005 217 HA ASP 27 HA ASP 27 -0.098 -8.836 -15.741 218 1HB ASP 27 2HB ASP 27 -2.409 -8.171 -15.910 219 2HB ASP 27 1HB ASP 27 -2.488 -9.523 -14.819 220 H THR 28 H THR 28 -0.921 -6.168 -15.518 221 HA THR 28 HA THR 28 1.223 -5.051 -13.852 222 HB THR 28 HB THR 28 1.056 -2.959 -15.456 223 HG1 THR 28 HG1 THR 28 0.494 -4.555 -17.472 224 1HG2 THR 28 2HG2 THR 28 2.060 -5.612 -16.546 225 2HG2 THR 28 1HG2 THR 28 2.530 -3.997 -17.080 226 3HG2 THR 28 3HG2 THR 28 2.951 -4.550 -15.477 227 H VAL 29 H VAL 29 1.161 -3.443 -12.753 228 HA VAL 29 HA VAL 29 -1.312 -1.942 -12.103 229 HB VAL 29 HB VAL 29 0.752 -2.785 -10.192 230 1HG1 VAL 29 3HG1 VAL 29 -1.808 -1.126 -9.852 231 2HG1 VAL 29 2HG1 VAL 29 -0.804 -1.714 -8.544 232 3HG1 VAL 29 1HG1 VAL 29 -0.191 -0.492 -9.628 233 1HG2 VAL 29 3HG2 VAL 29 -2.225 -3.401 -10.615 234 2HG2 VAL 29 2HG2 VAL 29 -0.921 -4.524 -10.933 235 3HG2 VAL 29 1HG2 VAL 29 -1.245 -3.983 -9.294 236 H GLU 30 H GLU 30 -0.900 0.516 -12.346 237 HA GLU 30 HA GLU 30 1.934 1.293 -12.334 238 1HB GLU 30 2HB GLU 30 1.377 3.081 -13.835 239 2HB GLU 30 1HB GLU 30 0.807 1.561 -14.471 240 1HG GLU 30 2HG GLU 30 -1.479 2.020 -13.823 241 2HG GLU 30 1HG GLU 30 -0.991 3.339 -12.772 242 H PHE 31 H PHE 31 2.340 3.504 -11.586 243 HA PHE 31 HA PHE 31 0.657 4.253 -9.206 244 1HB PHE 31 2HB PHE 31 3.640 4.553 -9.678 245 2HB PHE 31 1HB PHE 31 2.830 5.114 -8.231 246 HD1 PHE 31 HD1 PHE 31 1.511 3.434 -6.848 247 HD2 PHE 31 HD2 PHE 31 4.144 2.225 -9.951 248 HE1 PHE 31 HE1 PHE 31 1.552 1.156 -5.921 249 HE2 PHE 31 HE2 PHE 31 4.197 -0.049 -9.035 250 HZ PHE 31 HZ PHE 31 2.896 -0.586 -7.021 251 H LEU 32 H LEU 32 -0.705 5.615 -10.579 252 HA LEU 32 HA LEU 32 0.118 8.099 -11.682 253 1HB LEU 32 2HB LEU 32 -1.967 7.058 -12.264 254 2HB LEU 32 1HB LEU 32 -2.504 6.993 -10.610 255 HG LEU 32 HG LEU 32 -2.775 9.462 -10.561 256 1HD1 LEU 32 2HD1 LEU 32 -1.891 9.282 -13.484 257 2HD1 LEU 32 1HD1 LEU 32 -2.461 10.736 -12.681 258 3HD1 LEU 32 3HD1 LEU 32 -0.942 10.008 -12.202 259 1HD2 LEU 32 1HD2 LEU 32 -4.602 7.983 -11.419 260 2HD2 LEU 32 3HD2 LEU 32 -4.624 9.539 -12.245 261 3HD2 LEU 32 2HD2 LEU 32 -3.953 8.123 -13.038 262 H ASN 33 H ASN 33 1.475 9.207 -10.412 263 HA ASN 33 HA ASN 33 1.103 10.046 -7.672 264 1HB ASN 33 2HB ASN 33 2.918 10.847 -9.935 265 2HB ASN 33 1HB ASN 33 2.896 11.830 -8.486 266 1HD2 ASN 33 2HD2 ASN 33 4.901 8.488 -8.346 267 2HD2 ASN 33 1HD2 ASN 33 4.255 9.045 -9.829 268 H ASN 34 H ASN 34 -1.239 10.630 -8.175 269 HA ASN 34 HA ASN 34 -2.648 12.544 -9.280 270 1HB ASN 34 2HB ASN 34 -3.367 11.476 -7.171 271 2HB ASN 34 1HB ASN 34 -2.195 12.388 -6.254 272 1HD2 ASN 34 2HD2 ASN 34 -5.646 14.227 -7.056 273 2HD2 ASN 34 1HD2 ASN 34 -5.376 12.713 -7.834 274 H LYS 35 H LYS 35 -1.860 14.509 -6.675 275 HA LYS 35 HA LYS 35 -0.154 16.410 -8.123 276 1HB LYS 35 2HB LYS 35 -2.290 17.080 -8.984 277 2HB LYS 35 1HB LYS 35 -3.126 16.725 -7.502 278 1HG LYS 35 2HG LYS 35 -1.105 18.991 -7.481 279 2HG LYS 35 1HG LYS 35 -2.626 19.246 -8.313 280 1HD LYS 35 2HD LYS 35 -3.965 18.683 -6.363 281 2HD LYS 35 1HD LYS 35 -2.617 18.087 -5.461 282 1HE LYS 35 2HE LYS 35 -2.977 20.989 -6.295 283 2HE LYS 35 1HE LYS 35 -3.428 20.337 -4.719 284 1HZ LYS 35 1HZ LYS 35 -0.854 19.411 -5.306 285 2HZ LYS 35 3HZ LYS 35 -0.791 21.073 -5.603 286 3HZ LYS 35 2HZ LYS 35 -1.258 20.478 -4.077 287 H VAL 36 H VAL 36 -0.344 14.736 -5.777 288 HA VAL 36 HA VAL 36 0.798 16.552 -3.699 289 HB VAL 36 HB VAL 36 -0.484 15.146 -1.967 290 1HG1 VAL 36 1HG1 VAL 36 -1.231 17.457 -2.608 291 2HG1 VAL 36 3HG1 VAL 36 -2.178 16.760 -3.924 292 3HG1 VAL 36 2HG1 VAL 36 -2.596 16.417 -2.262 293 1HG2 VAL 36 2HG2 VAL 36 -1.151 13.288 -3.543 294 2HG2 VAL 36 1HG2 VAL 36 -2.553 14.046 -2.798 295 3HG2 VAL 36 3HG2 VAL 36 -2.126 14.432 -4.441 296 HA PRO 37 HA PRO 37 3.830 13.033 -3.890 297 1HB PRO 37 2HB PRO 37 5.905 14.851 -4.357 298 2HB PRO 37 1HB PRO 37 5.054 13.961 -5.635 299 1HG PRO 37 2HG PRO 37 4.423 16.753 -4.515 300 2HG PRO 37 1HG PRO 37 4.752 16.317 -6.199 301 1HD PRO 37 2HD PRO 37 2.223 16.472 -5.427 302 2HD PRO 37 1HD PRO 37 2.680 15.028 -6.356 303 HA PRO 38 HA PRO 38 6.306 13.037 -3.537 304 1HB PRO 38 2HB PRO 38 8.470 12.673 -2.064 305 2HB PRO 38 1HB PRO 38 7.960 14.338 -2.398 306 1HG PRO 38 2HG PRO 38 7.374 12.693 0.121 307 2HG PRO 38 1HG PRO 38 8.034 14.323 0.031 308 1HD PRO 38 2HD PRO 38 5.288 13.724 0.339 309 2HD PRO 38 1HD PRO 38 5.882 15.273 -0.277 310 H HIS 39 HN HIP 39 5.924 11.025 -4.084 311 HA HIS 39 HA HIP 39 5.092 9.081 -1.975 312 1HB HIS 39 2HB HIP 39 4.588 9.157 -4.957 313 2HB HIS 39 1HB HIP 39 4.060 7.845 -3.935 314 HD2 HIS 39 HD2 HIP 39 2.958 11.347 -5.077 315 HE1 HIS 39 HE1 HIP 39 0.327 10.234 -2.097 316 HE2 HIS 39 HE2 HIP 39 0.818 11.808 -3.872 317 H ASN 40 H ASN 40 6.971 8.315 -1.226 318 HA ASN 40 HA ASN 40 8.716 6.719 -3.077 319 1HB ASN 40 2HB ASN 40 9.969 8.263 -1.530 320 2HB ASN 40 1HB ASN 40 9.127 7.593 -0.139 321 1HD2 ASN 40 2HD2 ASN 40 11.264 4.618 -1.598 322 2HD2 ASN 40 1HD2 ASN 40 9.911 5.179 -2.446 323 H VAL 41 H VAL 41 7.796 4.701 -3.350 324 HA VAL 41 HA VAL 41 6.607 3.459 -0.900 325 HB VAL 41 HB VAL 41 5.138 2.260 -2.098 326 1HG1 VAL 41 2HG1 VAL 41 4.565 4.699 -1.938 327 2HG1 VAL 41 1HG1 VAL 41 5.394 5.035 -3.438 328 3HG1 VAL 41 3HG1 VAL 41 3.931 4.090 -3.458 329 1HG2 VAL 41 3HG2 VAL 41 6.540 3.197 -4.685 330 2HG2 VAL 41 2HG2 VAL 41 6.492 1.544 -4.103 331 3HG2 VAL 41 1HG2 VAL 41 5.024 2.312 -4.673 332 H VAL 42 H VAL 42 6.991 1.714 -0.166 333 HA VAL 42 HA VAL 42 8.999 -0.188 -1.333 334 HB VAL 42 HB VAL 42 9.215 -0.741 1.253 335 1HG1 VAL 42 3HG1 VAL 42 10.348 1.711 -0.161 336 2HG1 VAL 42 2HG1 VAL 42 11.099 0.902 1.208 337 3HG1 VAL 42 1HG1 VAL 42 10.991 0.090 -0.354 338 1HG2 VAL 42 3HG2 VAL 42 7.500 0.999 1.882 339 2HG2 VAL 42 2HG2 VAL 42 9.086 1.349 2.553 340 3HG2 VAL 42 1HG2 VAL 42 8.501 2.238 1.173 341 H PHE 43 H PHE 43 8.381 -2.374 -1.434 342 HA PHE 43 HA PHE 43 5.621 -3.115 -0.527 343 1HB PHE 43 2HB PHE 43 7.388 -4.329 -2.597 344 2HB PHE 43 1HB PHE 43 6.105 -5.262 -1.884 345 HD1 PHE 43 HD2 PHE 43 5.956 -1.569 -2.757 346 HD2 PHE 43 HD1 PHE 43 4.737 -5.529 -3.718 347 HE1 PHE 43 HE2 PHE 43 4.410 -0.682 -4.433 348 HE2 PHE 43 HE1 PHE 43 3.176 -4.634 -5.379 349 HZ PHE 43 HZ PHE 43 3.005 -2.222 -5.740 350 H ASP 44 H ASP 44 5.548 -5.085 0.993 351 HA ASP 44 HA ASP 44 8.300 -5.519 2.183 352 1HB ASP 44 2HB ASP 44 6.203 -4.328 3.449 353 2HB ASP 44 1HB ASP 44 5.907 -5.985 3.909 354 H ALA 45 H ALA 45 8.384 -7.144 3.855 355 HA ALA 45 HA ALA 45 8.180 -9.815 2.677 356 1HB ALA 45 1HB ALA 45 10.452 -8.870 3.153 357 2HB ALA 45 3HB ALA 45 10.015 -8.667 4.833 358 3HB ALA 45 2HB ALA 45 10.158 -10.285 4.155 359 H ALA 46 H ALA 46 7.475 -8.017 5.599 360 HA ALA 46 HA ALA 46 6.663 -10.290 7.211 361 1HB ALA 46 1HB ALA 46 5.976 -7.292 7.340 362 2HB ALA 46 3HB ALA 46 5.713 -8.426 8.663 363 3HB ALA 46 2HB ALA 46 7.342 -8.051 8.122 364 H LEU 47 H LEU 47 4.922 -7.983 5.260 365 HA LEU 47 HA LEU 47 2.372 -9.520 5.474 366 1HB LEU 47 2HB LEU 47 3.129 -6.833 4.245 367 2HB LEU 47 1HB LEU 47 1.545 -7.556 4.027 368 HG LEU 47 HG LEU 47 1.263 -7.634 6.536 369 1HD1 LEU 47 2HD1 LEU 47 3.800 -5.935 6.511 370 2HD1 LEU 47 1HD1 LEU 47 2.759 -6.180 7.902 371 3HD1 LEU 47 3HD1 LEU 47 3.642 -7.526 7.240 372 1HD2 LEU 47 1HD2 LEU 47 0.355 -5.777 5.181 373 2HD2 LEU 47 3HD2 LEU 47 0.870 -5.198 6.759 374 3HD2 LEU 47 2HD2 LEU 47 1.878 -4.902 5.352 375 H ASN 48 H ASN 48 3.908 -11.079 4.523 376 HA ASN 48 HA ASN 48 3.304 -11.490 1.610 377 1HB ASN 48 2HB ASN 48 5.940 -11.701 2.988 378 2HB ASN 48 1HB ASN 48 5.621 -12.811 1.674 379 1HD2 ASN 48 2HD2 ASN 48 5.547 -9.201 0.158 380 2HD2 ASN 48 1HD2 ASN 48 4.235 -9.687 1.138 381 HA PRO 49 HA PRO 49 1.472 -15.479 3.220 382 1HB PRO 49 2HB PRO 49 1.499 -15.753 0.278 383 2HB PRO 49 1HB PRO 49 0.116 -15.660 1.357 384 1HG PRO 49 2HG PRO 49 1.522 -13.372 -0.090 385 2HG PRO 49 1HG PRO 49 -0.161 -13.514 0.390 386 1HD PRO 49 2HD PRO 49 1.372 -11.851 1.789 387 2HD PRO 49 1HD PRO 49 0.312 -12.948 2.692 388 H ALA 50 H ALA 50 3.861 -14.891 0.740 389 HA ALA 50 HA ALA 50 5.484 -17.238 1.654 390 1HB ALA 50 1HB ALA 50 5.287 -15.840 -1.031 391 2HB ALA 50 3HB ALA 50 6.309 -17.227 -0.698 392 3HB ALA 50 2HB ALA 50 4.559 -17.382 -0.582 393 H LYS 51 H LYS 51 5.818 -14.670 2.905 394 HA LYS 51 HA LYS 51 7.511 -12.890 3.139 395 1HB LYS 51 2HB LYS 51 9.212 -14.121 4.647 396 2HB LYS 51 1HB LYS 51 7.558 -14.075 5.150 397 1HG LYS 51 2HG LYS 51 8.274 -16.451 3.425 398 2HG LYS 51 1HG LYS 51 9.225 -16.345 4.869 399 1HD LYS 51 2HD LYS 51 7.143 -17.726 5.248 400 2HD LYS 51 1HD LYS 51 7.246 -16.350 6.334 401 1HE LYS 51 2HE LYS 51 5.666 -15.072 4.964 402 2HE LYS 51 1HE LYS 51 5.699 -16.347 3.747 403 1HZ LYS 51 3HZ LYS 51 5.013 -17.606 6.141 404 2HZ LYS 51 2HZ LYS 51 4.057 -16.197 6.022 405 3HZ LYS 51 1HZ LYS 51 4.059 -17.302 4.754 406 H SER 52 H SER 52 7.991 -12.793 0.776 407 HA SER 52 HA SER 52 10.818 -13.522 0.098 408 1HB SER 52 2HB SER 52 10.104 -12.942 -2.251 409 2HB SER 52 1HB SER 52 9.186 -14.264 -1.534 410 HG SER 52 HG SER 52 8.095 -11.784 -0.902 411 H ALA 53 H ALA 53 11.496 -11.848 1.563 412 HA ALA 53 HA ALA 53 11.168 -9.046 1.322 413 1HB ALA 53 3HB ALA 53 12.541 -10.204 3.121 414 2HB ALA 53 2HB ALA 53 13.740 -10.623 1.912 415 3HB ALA 53 1HB ALA 53 13.498 -8.942 2.359 416 H ASP 54 H ASP 54 13.330 -11.060 -0.364 417 HA ASP 54 HA ASP 54 14.825 -9.422 -2.018 418 1HB ASP 54 2HB ASP 54 14.756 -11.702 -3.389 419 2HB ASP 54 1HB ASP 54 15.212 -11.858 -1.705 420 H LEU 55 H LEU 55 11.880 -11.040 -3.045 421 HA LEU 55 HA LEU 55 11.412 -9.431 -5.372 422 1HB LEU 55 2HB LEU 55 10.315 -11.608 -5.127 423 2HB LEU 55 1HB LEU 55 9.541 -11.117 -3.640 424 HG LEU 55 HG LEU 55 8.174 -9.415 -4.864 425 1HD1 LEU 55 1HD1 LEU 55 9.548 -10.545 -7.356 426 2HD1 LEU 55 3HD1 LEU 55 8.249 -9.365 -7.354 427 3HD1 LEU 55 2HD1 LEU 55 9.820 -8.932 -6.724 428 1HD2 LEU 55 1HD2 LEU 55 7.346 -11.740 -4.660 429 2HD2 LEU 55 3HD2 LEU 55 6.809 -11.012 -6.167 430 3HD2 LEU 55 2HD2 LEU 55 8.137 -12.160 -6.170 431 H ALA 56 H ALA 56 9.772 -9.355 -2.234 432 HA ALA 56 HA ALA 56 8.120 -7.205 -2.342 433 1HB ALA 56 1HB ALA 56 8.612 -8.522 -0.298 434 2HB ALA 56 3HB ALA 56 10.180 -7.757 -0.161 435 3HB ALA 56 2HB ALA 56 8.719 -6.803 0.058 436 H LYS 57 H LYS 57 11.568 -6.620 -1.607 437 HA LYS 57 HA LYS 57 11.083 -3.760 -2.194 438 1HB LYS 57 2HB LYS 57 13.767 -5.235 -1.754 439 2HB LYS 57 1HB LYS 57 13.552 -3.504 -1.634 440 1HG LYS 57 2HG LYS 57 12.546 -5.680 0.260 441 2HG LYS 57 1HG LYS 57 13.637 -4.360 0.637 442 1HD LYS 57 2HD LYS 57 11.641 -2.757 0.061 443 2HD LYS 57 1HD LYS 57 10.655 -4.203 0.025 444 1HE LYS 57 2HE LYS 57 11.389 -4.689 2.411 445 2HE LYS 57 1HE LYS 57 12.127 -3.084 2.438 446 1HZ LYS 57 2HZ LYS 57 9.482 -2.992 1.330 447 2HZ LYS 57 1HZ LYS 57 9.431 -3.693 2.830 448 3HZ LYS 57 3HZ LYS 57 10.012 -2.176 2.726 449 H SER 58 H SER 58 12.792 -6.296 -4.028 450 HA SER 58 HA SER 58 13.690 -4.482 -6.094 451 1HB SER 58 2HB SER 58 13.784 -6.535 -7.565 452 2HB SER 58 1HB SER 58 14.491 -6.879 -5.975 453 HG SER 58 HG SER 58 12.625 -7.862 -5.343 454 H LEU 59 H LEU 59 10.672 -5.772 -5.363 455 HA LEU 59 HA LEU 59 9.314 -5.110 -7.877 456 1HB LEU 59 2HB LEU 59 8.754 -7.039 -6.277 457 2HB LEU 59 1HB LEU 59 8.147 -5.864 -5.150 458 HG LEU 59 HG LEU 59 6.244 -6.835 -6.362 459 1HD1 LEU 59 3HD1 LEU 59 6.132 -4.337 -5.991 460 2HD1 LEU 59 2HD1 LEU 59 6.771 -4.108 -7.606 461 3HD1 LEU 59 1HD1 LEU 59 5.218 -4.864 -7.394 462 1HD2 LEU 59 1HD2 LEU 59 7.522 -7.588 -8.372 463 2HD2 LEU 59 3HD2 LEU 59 6.084 -6.701 -8.829 464 3HD2 LEU 59 2HD2 LEU 59 7.650 -5.929 -8.913 465 H SER 60 H SER 60 9.071 -3.795 -4.355 466 HA SER 60 HA SER 60 7.552 -1.592 -5.275 467 1HB SER 60 2HB SER 60 8.088 -0.630 -3.132 468 2HB SER 60 1HB SER 60 7.734 -2.368 -3.119 469 HG SER 60 HG SER 60 10.350 -2.122 -3.546 470 H HIS 61 H HIS 61 7.826 0.353 -5.866 471 HA HIS 61 HA HIS 61 10.418 1.210 -6.953 472 1HB HIS 61 2HB HIS 61 8.236 1.447 -8.164 473 2HB HIS 61 1HB HIS 61 7.651 2.529 -6.911 474 HD1 HIS 61 HD1 HIS 61 9.146 4.709 -6.676 475 HD2 HIS 61 HD2 HIS 61 9.534 2.725 -10.205 476 HE1 HIS 61 HE1 HIS 61 10.161 6.340 -8.321 477 H LYS 62 H LYS 62 11.223 1.089 -4.711 478 HA LYS 62 HA LYS 62 10.731 2.955 -2.643 479 1HB LYS 62 2HB LYS 62 12.347 0.899 -2.805 480 2HB LYS 62 1HB LYS 62 13.501 2.125 -3.285 481 1HG LYS 62 2HG LYS 62 12.093 3.102 -0.878 482 2HG LYS 62 1HG LYS 62 12.724 1.509 -0.572 483 1HD LYS 62 2HD LYS 62 14.956 2.086 -0.801 484 2HD LYS 62 1HD LYS 62 14.660 3.419 -1.882 485 1HE LYS 62 2HE LYS 62 13.820 3.512 1.045 486 2HE LYS 62 1HE LYS 62 15.424 4.019 0.518 487 1HZ LYS 62 3HZ LYS 62 13.501 5.096 -1.252 488 2HZ LYS 62 2HZ LYS 62 12.958 5.500 0.250 489 3HZ LYS 62 1HZ LYS 62 14.488 5.990 -0.241 490 H GLN 63 H GLN 63 11.411 4.171 -5.470 491 HA GLN 63 HA GLN 63 13.572 5.903 -4.607 492 1HB GLN 63 2HB GLN 63 11.917 5.827 -7.178 493 2HB GLN 63 1HB GLN 63 13.266 6.923 -6.990 494 1HG GLN 63 2HG GLN 63 14.781 4.911 -6.542 495 2HG GLN 63 1HG GLN 63 13.430 3.855 -6.917 496 1HE2 GLN 63 2HE2 GLN 63 14.211 4.143 -10.302 497 2HE2 GLN 63 1HE2 GLN 63 13.541 3.160 -9.075 498 H LEU 64 H LEU 64 12.874 8.413 -5.722 499 HA LEU 64 HA LEU 64 10.783 9.355 -3.796 500 1HB LEU 64 2HB LEU 64 13.218 10.692 -5.025 501 2HB LEU 64 1HB LEU 64 12.029 11.604 -4.138 502 HG LEU 64 HG LEU 64 13.454 9.195 -2.915 503 1HD1 LEU 64 2HD1 LEU 64 14.033 12.194 -2.683 504 2HD1 LEU 64 1HD1 LEU 64 14.851 10.928 -1.788 505 3HD1 LEU 64 3HD1 LEU 64 15.057 11.046 -3.525 506 1HD2 LEU 64 1HD2 LEU 64 11.942 11.599 -1.756 507 2HD2 LEU 64 3HD2 LEU 64 11.269 9.986 -1.854 508 3HD2 LEU 64 2HD2 LEU 64 12.647 10.299 -0.819 509 H LEU 65 H LEU 65 8.944 8.935 -5.201 510 HA LEU 65 HA LEU 65 8.742 10.396 -7.737 511 1HB LEU 65 2HB LEU 65 6.638 8.989 -6.006 512 2HB LEU 65 1HB LEU 65 6.333 9.608 -7.599 513 HG LEU 65 HG LEU 65 8.581 7.594 -7.093 514 1HD1 LEU 65 1HD1 LEU 65 6.394 6.606 -6.393 515 2HD1 LEU 65 3HD1 LEU 65 5.704 6.988 -7.954 516 3HD1 LEU 65 2HD1 LEU 65 7.022 5.850 -7.842 517 1HD2 LEU 65 2HD2 LEU 65 6.940 8.365 -9.562 518 2HD2 LEU 65 1HD2 LEU 65 8.591 8.878 -9.258 519 3HD2 LEU 65 3HD2 LEU 65 8.237 7.187 -9.530 520 H MET 66 H MET 66 9.273 12.442 -7.153 521 HA MET 66 HA MET 66 7.538 14.044 -5.332 522 1HB MET 66 2HB MET 66 10.067 14.652 -6.822 523 2HB MET 66 1HB MET 66 9.281 15.771 -5.729 524 1HG MET 66 2HG MET 66 9.532 14.106 -3.881 525 2HG MET 66 1HG MET 66 10.305 12.988 -4.967 526 1HE MET 66 2HE MET 66 12.278 13.098 -5.984 527 2HE MET 66 1HE MET 66 12.895 14.698 -6.398 528 3HE MET 66 3HE MET 66 13.724 13.684 -5.203 529 H SER 67 H SER 67 6.774 13.166 -7.959 530 HA SER 67 HA SER 67 6.206 15.722 -9.392 531 1HB SER 67 2HB SER 67 6.300 12.864 -10.238 532 2HB SER 67 1HB SER 67 5.277 13.960 -11.175 533 HG SER 67 HG SER 67 7.002 14.807 -11.933 534 HA PRO 68 HA PRO 68 1.736 14.815 -9.208 535 1HB PRO 68 2HB PRO 68 0.771 16.616 -10.908 536 2HB PRO 68 1HB PRO 68 1.578 17.204 -9.447 537 1HG PRO 68 2HG PRO 68 2.884 16.772 -12.207 538 2HG PRO 68 1HG PRO 68 2.846 18.280 -11.293 539 1HD PRO 68 2HD PRO 68 4.959 16.490 -11.130 540 2HD PRO 68 1HD PRO 68 4.485 17.467 -9.719 541 H GLY 69 H GLY 69 0.235 13.964 -10.867 542 1HA GLY 69 2HA GLY 69 -0.265 12.247 -12.454 543 2HA GLY 69 1HA GLY 69 0.697 13.218 -13.539 544 H GLN 70 H GLN 70 3.115 12.739 -13.337 545 HA GLN 70 HA GLN 70 4.197 10.656 -14.403 546 1HB GLN 70 2HB GLN 70 4.992 11.942 -11.848 547 2HB GLN 70 1HB GLN 70 5.903 10.520 -12.271 548 1HG GLN 70 2HG GLN 70 7.123 12.385 -13.213 549 2HG GLN 70 1HG GLN 70 6.391 11.617 -14.597 550 1HE2 GLN 70 2HE2 GLN 70 4.577 14.545 -15.349 551 2HE2 GLN 70 1HE2 GLN 70 4.774 12.892 -15.745 552 H SER 71 H SER 71 3.044 8.735 -14.588 553 HA SER 71 HA SER 71 3.020 6.954 -12.163 554 1HB SER 71 2HB SER 71 0.804 7.256 -13.345 555 2HB SER 71 1HB SER 71 1.499 6.441 -14.745 556 HG SER 71 HG SER 71 0.585 4.950 -13.325 557 H THR 72 H THR 72 4.017 5.116 -12.090 558 HA THR 72 HA THR 72 5.725 4.206 -14.428 559 HB THR 72 HB THR 72 7.095 4.863 -12.441 560 HG1 THR 72 HG1 THR 72 8.234 3.148 -13.026 561 1HG2 THR 72 1HG2 THR 72 5.483 3.914 -10.621 562 2HG2 THR 72 3HG2 THR 72 5.918 2.316 -11.220 563 3HG2 THR 72 2HG2 THR 72 7.141 3.357 -10.522 564 H SER 73 H SER 73 5.682 1.872 -14.854 565 HA SER 73 HA SER 73 3.302 0.425 -13.660 566 1HB SER 73 2HB SER 73 3.006 -0.700 -15.762 567 2HB SER 73 1HB SER 73 3.174 1.030 -16.062 568 HG SER 73 HG SER 73 5.606 -0.364 -15.950 569 H THR 74 H THR 74 3.525 -1.327 -12.531 570 HA THR 74 HA THR 74 6.024 -3.002 -12.828 571 HB THR 74 HB THR 74 5.893 -1.924 -10.540 572 HG1 THR 74 HG1 THR 74 5.518 -4.467 -9.860 573 1HG2 THR 74 2HG2 THR 74 3.293 -2.166 -10.296 574 2HG2 THR 74 1HG2 THR 74 3.565 -3.898 -10.193 575 3HG2 THR 74 3HG2 THR 74 4.243 -2.828 -8.977 576 H THR 75 H THR 75 5.833 -5.189 -12.580 577 HA THR 75 HA THR 75 3.148 -6.422 -13.251 578 HB THR 75 HB THR 75 5.826 -7.545 -14.115 579 HG1 THR 75 HG1 THR 75 4.584 -5.396 -14.810 580 1HG2 THR 75 3HG2 THR 75 2.941 -7.844 -15.130 581 2HG2 THR 75 2HG2 THR 75 4.352 -8.661 -15.750 582 3HG2 THR 75 1HG2 THR 75 3.702 -9.112 -14.191 583 H PHE 76 H PHE 76 2.773 -8.605 -12.480 584 HA PHE 76 HA PHE 76 4.326 -9.357 -9.990 585 1HB PHE 76 2HB PHE 76 1.343 -9.501 -10.576 586 2HB PHE 76 1HB PHE 76 2.089 -10.163 -9.120 587 HD1 PHE 76 HD1 PHE 76 3.394 -8.649 -7.621 588 HD2 PHE 76 HD2 PHE 76 1.153 -7.123 -10.896 589 HE1 PHE 76 HE1 PHE 76 3.568 -6.397 -6.678 590 HE2 PHE 76 HE2 PHE 76 1.316 -4.872 -9.969 591 HZ PHE 76 HZ PHE 76 2.528 -4.490 -7.854 592 HA PRO 77 HA PRO 77 4.352 -13.106 -12.739 593 1HB PRO 77 2HB PRO 77 7.035 -12.870 -13.535 594 2HB PRO 77 1HB PRO 77 5.605 -12.332 -14.423 595 1HG PRO 77 2HG PRO 77 7.594 -10.518 -13.302 596 2HG PRO 77 1HG PRO 77 5.962 -10.029 -13.754 597 1HD PRO 77 2HD PRO 77 6.889 -10.999 -10.975 598 2HD PRO 77 1HD PRO 77 5.955 -9.544 -11.340 599 H ALA 78 H ALA 78 6.448 -14.839 -12.960 600 HA ALA 78 HA ALA 78 7.408 -16.672 -11.694 601 1HB ALA 78 3HB ALA 78 9.087 -14.720 -11.102 602 2HB ALA 78 2HB ALA 78 8.036 -14.309 -9.754 603 3HB ALA 78 1HB ALA 78 8.876 -15.841 -9.762 604 H ASP 79 H ASP 79 5.218 -16.608 -11.947 605 HA ASP 79 HA ASP 79 3.035 -15.914 -10.767 606 1HB ASP 79 2HB ASP 79 3.885 -18.864 -11.624 607 2HB ASP 79 1HB ASP 79 2.291 -18.235 -11.957 608 H ALA 80 H ALA 80 3.868 -15.360 -9.187 609 HA ALA 80 HA ALA 80 4.265 -16.394 -6.730 610 1HB ALA 80 3HB ALA 80 4.624 -14.087 -7.495 611 2HB ALA 80 2HB ALA 80 2.915 -13.792 -7.640 612 3HB ALA 80 1HB ALA 80 3.643 -13.972 -6.047 613 HA PRO 81 HA PRO 81 0.856 -18.559 -5.284 614 1HB PRO 81 2HB PRO 81 1.257 -18.591 -2.598 615 2HB PRO 81 1HB PRO 81 2.435 -19.291 -3.718 616 1HG PRO 81 2HG PRO 81 2.413 -16.404 -2.626 617 2HG PRO 81 1HG PRO 81 3.708 -17.600 -2.431 618 1HD PRO 81 2HD PRO 81 3.860 -15.855 -4.457 619 2HD PRO 81 1HD PRO 81 4.228 -17.568 -4.797 620 H ALA 82 H ALA 82 -0.547 -16.888 -6.116 621 HA ALA 82 HA ALA 82 -2.071 -14.993 -5.773 622 1HB ALA 82 2HB ALA 82 -3.296 -17.722 -5.217 623 2HB ALA 82 1HB ALA 82 -4.206 -16.314 -5.721 624 3HB ALA 82 3HB ALA 82 -3.004 -16.998 -6.795 625 H GLY 83 H GLY 83 -0.919 -14.368 -3.598 626 1HA GLY 83 2HA GLY 83 -3.047 -14.018 -1.508 627 2HA GLY 83 1HA GLY 83 -1.359 -14.284 -1.080 628 H GLU 84 H GLU 84 -1.318 -12.205 0.009 629 HA GLU 84 HA GLU 84 -1.569 -9.809 -1.736 630 1HB GLU 84 2HB GLU 84 -1.827 -8.551 0.334 631 2HB GLU 84 1HB GLU 84 -2.926 -9.913 0.374 632 1HG GLU 84 2HG GLU 84 -1.502 -11.160 1.929 633 2HG GLU 84 1HG GLU 84 -0.141 -10.079 1.707 634 H TYR 85 H TYR 85 -0.039 -8.498 -2.144 635 HA TYR 85 HA TYR 85 2.758 -9.002 -1.091 636 1HB TYR 85 2HB TYR 85 1.876 -8.039 -3.817 637 2HB TYR 85 1HB TYR 85 3.533 -8.294 -3.300 638 HD1 TYR 85 HD1 TYR 85 4.272 -10.631 -2.627 639 HD2 TYR 85 HD2 TYR 85 0.439 -9.893 -4.302 640 HE1 TYR 85 HE1 TYR 85 3.991 -13.047 -3.091 641 HE2 TYR 85 HE2 TYR 85 0.184 -12.318 -4.746 642 HH TYR 85 HH TYR 85 1.420 -14.246 -5.015 643 H THR 86 H THR 86 0.927 -7.325 0.213 644 HA THR 86 HA THR 86 0.455 -4.753 0.113 645 HB THR 86 HB THR 86 1.887 -6.010 2.471 646 HG1 THR 86 HG1 THR 86 -0.090 -6.863 2.490 647 1HG2 THR 86 2HG2 THR 86 -0.021 -3.599 2.225 648 2HG2 THR 86 1HG2 THR 86 0.613 -4.236 3.724 649 3HG2 THR 86 3HG2 THR 86 1.675 -3.402 2.615 650 H PHE 87 H PHE 87 1.082 -2.867 -0.230 651 HA PHE 87 HA PHE 87 3.917 -2.135 -0.196 652 1HB PHE 87 2HB PHE 87 3.570 -0.752 -1.986 653 2HB PHE 87 1HB PHE 87 3.255 -2.481 -2.202 654 HD1 PHE 87 HD1 PHE 87 1.653 0.765 -1.810 655 HD2 PHE 87 HD2 PHE 87 1.282 -3.263 -2.999 656 HE1 PHE 87 HE1 PHE 87 -0.465 1.307 -2.797 657 HE2 PHE 87 HE2 PHE 87 -0.860 -2.794 -4.017 658 HZ PHE 87 HZ PHE 87 -1.801 -0.474 -3.954 659 H TYR 88 H TYR 88 4.588 -0.361 1.029 660 HA TYR 88 HA TYR 88 2.544 1.589 1.908 661 1HB TYR 88 2HB TYR 88 3.934 1.911 3.924 662 2HB TYR 88 1HB TYR 88 3.177 0.347 3.727 663 HD1 TYR 88 HD2 TYR 88 4.690 -1.492 2.533 664 HD2 TYR 88 HD1 TYR 88 6.181 1.967 4.534 665 HE1 TYR 88 HE2 TYR 88 6.844 -2.569 2.793 666 HE2 TYR 88 HE1 TYR 88 8.332 0.857 4.799 667 HH TYR 88 HH TYR 88 8.671 -2.388 4.486 668 H CYS 89 H CYS 89 2.930 3.767 1.733 669 HA CYS 89 HA CYS 89 5.361 4.719 0.258 670 1HB CYS 89 2HB CYS 89 2.996 4.998 -0.654 671 2HB CYS 89 1HB CYS 89 2.719 6.004 0.736 672 H GLU 90 H GLU 90 6.233 4.457 2.675 673 HA GLU 90 HA GLU 90 6.099 5.753 4.865 674 1HB GLU 90 2HB GLU 90 8.432 5.805 2.925 675 2HB GLU 90 1HB GLU 90 8.630 6.516 4.514 676 1HG GLU 90 2HG GLU 90 7.599 3.648 4.114 677 2HG GLU 90 1HG GLU 90 9.289 4.016 4.348 678 HA PRO 91 HA PRO 91 7.142 10.451 4.025 679 1HB PRO 91 2HB PRO 91 6.368 11.213 1.434 680 2HB PRO 91 1HB PRO 91 8.034 10.926 1.948 681 1HG PRO 91 2HG PRO 91 6.071 8.929 0.687 682 2HG PRO 91 1HG PRO 91 7.729 9.301 0.175 683 1HD PRO 91 2HD PRO 91 7.354 7.139 1.686 684 2HD PRO 91 1HD PRO 91 8.647 8.242 2.219 685 H HIS 92 HN HIP 92 4.531 8.664 2.868 686 HA HIS 92 HA HIP 92 2.535 10.673 3.819 687 1HB HIS 92 2HB HIP 92 2.369 8.487 1.708 688 2HB HIS 92 1HB HIP 92 0.984 9.456 2.188 689 HD2 HIS 92 HD2 HIP 92 2.372 12.431 2.240 690 HE1 HIS 92 HE1 HIP 92 3.358 11.561 -1.708 691 HE2 HIS 92 HE2 HIP 92 3.082 13.307 -0.051 692 H ARG 93 H ARG 93 3.867 8.541 5.548 693 HA ARG 93 HA ARG 93 1.621 6.688 6.105 694 1HB ARG 93 2HB ARG 93 3.050 5.780 7.860 695 2HB ARG 93 1HB ARG 93 3.991 5.974 6.398 696 1HG ARG 93 2HG ARG 93 5.206 7.846 7.255 697 2HG ARG 93 1HG ARG 93 4.032 8.158 8.519 698 1HD ARG 93 2HD ARG 93 4.663 6.210 9.742 699 2HD ARG 93 1HD ARG 93 5.538 5.520 8.377 700 HE ARG 93 HE ARG 93 6.435 8.123 9.677 701 1HH1 ARG 93 1HH2 ARG 93 7.195 6.153 7.347 702 2HH1 ARG 93 2HH2 ARG 93 8.773 5.759 7.797 703 1HH2 ARG 93 2HH1 ARG 93 8.268 7.215 10.899 704 2HH2 ARG 93 1HH1 ARG 93 9.391 6.368 9.864 705 H GLY 94 H GLY 94 0.821 9.200 6.260 706 1HA GLY 94 2HA GLY 94 0.033 9.712 9.148 707 2HA GLY 94 1HA GLY 94 0.179 11.026 7.960 708 H ALA 95 H ALA 95 -0.942 10.153 5.830 709 HA ALA 95 HA ALA 95 -3.822 9.679 6.525 710 1HB ALA 95 2HB ALA 95 -3.158 11.723 5.112 711 2HB ALA 95 1HB ALA 95 -2.443 10.629 3.927 712 3HB ALA 95 3HB ALA 95 -4.172 10.612 4.202 713 H GLY 96 H GLY 96 -2.586 7.692 7.079 714 1HA GLY 96 2HA GLY 96 -1.662 5.472 6.555 715 2HA GLY 96 1HA GLY 96 -3.372 5.323 6.240 716 H MET 97 H MET 97 -0.605 6.569 4.339 717 HA MET 97 HA MET 97 -1.777 5.449 1.935 718 1HB MET 97 2HB MET 97 -0.486 7.582 2.090 719 2HB MET 97 1HB MET 97 0.982 6.662 2.380 720 1HG MET 97 2HG MET 97 0.864 5.655 0.143 721 2HG MET 97 1HG MET 97 -0.787 6.105 0.019 722 1HE MET 97 2HE MET 97 -1.253 6.865 -1.761 723 2HE MET 97 1HE MET 97 -1.081 8.531 -2.208 724 3HE MET 97 3HE MET 97 0.032 7.313 -2.869 725 H VAL 98 H VAL 98 -1.854 3.327 2.943 726 HA VAL 98 HA VAL 98 0.433 1.514 2.161 727 HB VAL 98 HB VAL 98 -1.660 1.081 4.240 728 1HG1 VAL 98 1HG1 VAL 98 0.778 -0.571 3.378 729 2HG1 VAL 98 3HG1 VAL 98 -0.241 -0.917 4.767 730 3HG1 VAL 98 2HG1 VAL 98 -0.897 -1.039 3.148 731 1HG2 VAL 98 2HG2 VAL 98 1.351 1.638 4.399 732 2HG2 VAL 98 1HG2 VAL 98 0.086 2.761 4.868 733 3HG2 VAL 98 3HG2 VAL 98 0.311 1.271 5.766 734 H GLY 99 H GLY 99 -0.154 0.040 0.392 735 1HA GLY 99 2HA GLY 99 -3.104 -0.441 -0.099 736 2HA GLY 99 1HA GLY 99 -1.969 -0.271 -1.414 737 H LYS 100 H LYS 100 -3.694 -2.473 -0.840 738 HA LYS 100 HA LYS 100 -1.673 -4.647 -0.302 739 1HB LYS 100 2HB LYS 100 -4.610 -4.524 0.399 740 2HB LYS 100 1HB LYS 100 -3.637 -5.975 0.551 741 1HG LYS 100 2HG LYS 100 -1.985 -4.361 1.916 742 2HG LYS 100 1HG LYS 100 -3.366 -3.303 2.025 743 1HD LYS 100 2HD LYS 100 -3.202 -4.763 4.037 744 2HD LYS 100 1HD LYS 100 -4.685 -5.116 3.165 745 1HE LYS 100 2HE LYS 100 -3.842 -7.165 2.309 746 2HE LYS 100 1HE LYS 100 -2.189 -6.667 2.499 747 1HZ LYS 100 2HZ LYS 100 -3.404 -6.686 5.098 748 2HZ LYS 100 1HZ LYS 100 -3.686 -8.167 4.246 749 3HZ LYS 100 3HZ LYS 100 -2.174 -7.662 4.410 750 H ILE 101 H ILE 101 -1.438 -4.336 -2.842 751 HA ILE 101 HA ILE 101 -3.377 -5.512 -4.553 752 HB ILE 101 HB ILE 101 -0.835 -4.538 -5.155 753 1HG1 ILE 101 2HG1 ILE 101 -2.693 -6.433 -6.614 754 2HG1 ILE 101 1HG1 ILE 101 -2.451 -4.723 -6.865 755 1HG2 ILE 101 1HG2 ILE 101 0.332 -6.652 -4.262 756 2HG2 ILE 101 3HG2 ILE 101 -0.522 -7.562 -5.507 757 3HG2 ILE 101 2HG2 ILE 101 0.641 -6.346 -5.961 758 1HD1 ILE 101 1HD1 ILE 101 -0.150 -5.202 -7.844 759 2HD1 ILE 101 3HD1 ILE 101 -0.437 -6.915 -7.662 760 3HD1 ILE 101 2HD1 ILE 101 -1.407 -6.004 -8.744 761 H THR 102 H THR 102 -4.286 -7.303 -4.476 762 HA THR 102 HA THR 102 -2.976 -9.775 -3.274 763 HB THR 102 HB THR 102 -5.976 -9.622 -3.808 764 HG1 THR 102 HG1 THR 102 -4.554 -7.934 -2.157 765 1HG2 THR 102 1HG2 THR 102 -4.284 -10.601 -1.454 766 2HG2 THR 102 3HG2 THR 102 -5.989 -10.913 -1.697 767 3HG2 THR 102 2HG2 THR 102 -4.803 -11.662 -2.753 768 H VAL 103 H VAL 103 -2.810 -11.556 -4.661 769 HA VAL 103 HA VAL 103 -3.772 -11.068 -7.501 770 HB VAL 103 HB VAL 103 -1.543 -12.985 -6.736 771 1HG1 VAL 103 3HG1 VAL 103 -2.411 -13.045 -9.044 772 2HG1 VAL 103 2HG1 VAL 103 -2.088 -11.331 -9.199 773 3HG1 VAL 103 1HG1 VAL 103 -0.754 -12.447 -9.007 774 1HG2 VAL 103 1HG2 VAL 103 -1.276 -9.996 -7.188 775 2HG2 VAL 103 3HG2 VAL 103 -0.950 -10.815 -5.704 776 3HG2 VAL 103 2HG2 VAL 103 0.075 -11.109 -7.097 777 H ALA 104 H ALA 104 -5.352 -12.302 -8.281 778 HA ALA 104 HA ALA 104 -5.715 -15.066 -7.130 779 1HB ALA 104 2HB ALA 104 -7.859 -12.958 -7.667 780 2HB ALA 104 1HB ALA 104 -8.193 -14.597 -7.123 781 3HB ALA 104 3HB ALA 104 -7.286 -13.501 -6.095 782 H GLY 105 HN GLY 105 -7.553 -13.480 -9.633 783 1HA GLY 105 2HA GLY 105 -6.780 -15.423 -11.756 784 2HA GLY 105 1HA GLY 105 -8.479 -15.221 -11.355 No H/Q in entry = 784 Start of MODEL 18 1 1H GLU 1 1H GLU 1 -1.758 -7.553 -16.006 2 2H GLU 1 3H GLU 1 -2.716 -8.597 -16.824 3 3H GLU 1 2H GLU 1 -1.153 -8.291 -17.431 4 HA GLU 1 HA GLU 1 -2.034 -6.532 -18.621 5 1HB GLU 1 2HB GLU 1 -4.060 -7.991 -18.590 6 2HB GLU 1 1HB GLU 1 -4.513 -7.299 -17.042 7 1HG GLU 1 2HG GLU 1 -4.882 -5.071 -18.128 8 2HG GLU 1 1HG GLU 1 -4.362 -5.729 -19.677 9 H THR 2 H THR 2 -2.684 -4.093 -18.199 10 HA THR 2 HA THR 2 -1.965 -3.340 -15.412 11 HB THR 2 HB THR 2 -0.427 -2.413 -17.273 12 HG1 THR 2 HG1 THR 2 -0.254 -0.903 -15.797 13 1HG2 THR 2 3HG2 THR 2 -2.361 -1.614 -18.833 14 2HG2 THR 2 2HG2 THR 2 -2.722 -0.446 -17.575 15 3HG2 THR 2 1HG2 THR 2 -1.165 -0.410 -18.363 16 H TYR 3 H TYR 3 -2.988 -2.240 -14.194 17 HA TYR 3 HA TYR 3 -5.626 -0.987 -14.882 18 1HB TYR 3 2HB TYR 3 -4.608 -2.119 -12.227 19 2HB TYR 3 1HB TYR 3 -6.258 -1.618 -12.580 20 HD1 TYR 3 HD2 TYR 3 -6.623 -2.697 -15.333 21 HD2 TYR 3 HD1 TYR 3 -4.787 -4.526 -11.944 22 HE1 TYR 3 HE2 TYR 3 -7.137 -4.891 -16.248 23 HE2 TYR 3 HE1 TYR 3 -5.316 -6.719 -12.893 24 HH TYR 3 HH TYR 3 -6.791 -6.952 -16.104 25 H THR 4 H THR 4 -5.832 1.312 -14.252 26 HA THR 4 HA THR 4 -3.315 2.630 -13.408 27 HB THR 4 HB THR 4 -4.551 4.693 -14.247 28 HG1 THR 4 HG1 THR 4 -6.598 3.778 -13.796 29 1HG2 THR 4 3HG2 THR 4 -3.278 3.172 -15.941 30 2HG2 THR 4 2HG2 THR 4 -4.804 2.328 -16.167 31 3HG2 THR 4 1HG2 THR 4 -4.676 4.013 -16.604 32 H VAL 5 H VAL 5 -3.188 2.642 -11.197 33 HA VAL 5 HA VAL 5 -5.514 3.719 -9.687 34 HB VAL 5 HB VAL 5 -4.486 2.537 -7.793 35 1HG1 VAL 5 1HG1 VAL 5 -6.228 1.443 -9.235 36 2HG1 VAL 5 3HG1 VAL 5 -4.965 0.801 -10.263 37 3HG1 VAL 5 2HG1 VAL 5 -5.103 0.249 -8.602 38 1HG2 VAL 5 1HG2 VAL 5 -2.113 2.433 -8.601 39 2HG2 VAL 5 3HG2 VAL 5 -2.734 0.843 -8.208 40 3HG2 VAL 5 2HG2 VAL 5 -2.607 1.343 -9.877 41 H LYS 6 H LYS 6 -5.020 4.899 -7.780 42 HA LYS 6 HA LYS 6 -2.645 6.735 -8.101 43 1HB LYS 6 2HB LYS 6 -5.457 7.321 -7.174 44 2HB LYS 6 1HB LYS 6 -4.154 8.478 -6.993 45 1HG LYS 6 2HG LYS 6 -3.807 8.524 -9.455 46 2HG LYS 6 1HG LYS 6 -4.956 7.226 -9.671 47 1HD LYS 6 2HD LYS 6 -6.051 9.364 -10.252 48 2HD LYS 6 1HD LYS 6 -6.825 8.655 -8.864 49 1HE LYS 6 2HE LYS 6 -4.715 10.804 -8.595 50 2HE LYS 6 1HE LYS 6 -6.417 11.197 -8.767 51 1HZ LYS 6 1HZ LYS 6 -6.141 9.127 -6.818 52 2HZ LYS 6 3HZ LYS 6 -5.147 10.339 -6.358 53 3HZ LYS 6 2HZ LYS 6 -6.778 10.588 -6.593 54 H LEU 7 H LEU 7 -1.549 7.453 -6.506 55 HA LEU 7 HA LEU 7 -1.808 6.232 -3.785 56 1HB LEU 7 2HB LEU 7 0.786 6.788 -3.887 57 2HB LEU 7 1HB LEU 7 0.188 5.369 -4.742 58 HG LEU 7 HG LEU 7 0.222 6.598 -6.867 59 1HD1 LEU 7 1HD1 LEU 7 1.308 8.853 -5.142 60 2HD1 LEU 7 3HD1 LEU 7 1.192 8.789 -6.885 61 3HD1 LEU 7 2HD1 LEU 7 -0.256 8.874 -5.938 62 1HD2 LEU 7 3HD2 LEU 7 2.312 5.477 -6.069 63 2HD2 LEU 7 2HD2 LEU 7 2.667 6.927 -6.997 64 3HD2 LEU 7 1HD2 LEU 7 2.767 6.960 -5.251 65 H GLY 8 H GLY 8 -3.322 7.994 -3.651 66 1HA GLY 8 2HA GLY 8 -3.292 9.803 -1.811 67 2HA GLY 8 1HA GLY 8 -2.175 10.670 -2.895 68 H SER 9 H SER 9 -5.084 11.076 -1.999 69 HA SER 9 HA SER 9 -6.363 10.972 -4.673 70 1HB SER 9 2HB SER 9 -8.490 11.358 -3.503 71 2HB SER 9 1HB SER 9 -7.584 10.137 -2.618 72 HG SER 9 HG SER 9 -6.572 12.057 -1.520 73 H ASP 10 H ASP 10 -7.877 12.606 -5.186 74 HA ASP 10 HA ASP 10 -6.489 15.204 -5.400 75 1HB ASP 10 2HB ASP 10 -7.250 14.116 -7.445 76 2HB ASP 10 1HB ASP 10 -8.876 13.872 -6.812 77 H LYS 11 H LYS 11 -9.566 14.003 -4.297 78 HA LYS 11 HA LYS 11 -10.066 16.604 -2.837 79 1HB LYS 11 2HB LYS 11 -12.078 14.707 -3.978 80 2HB LYS 11 1HB LYS 11 -12.431 16.196 -3.133 81 1HG LYS 11 2HG LYS 11 -10.707 15.993 -5.653 82 2HG LYS 11 1HG LYS 11 -12.388 16.429 -5.678 83 1HD LYS 11 2HD LYS 11 -11.996 18.507 -4.449 84 2HD LYS 11 1HD LYS 11 -10.350 18.084 -4.053 85 1HE LYS 11 2HE LYS 11 -11.190 18.388 -6.922 86 2HE LYS 11 1HE LYS 11 -10.662 19.769 -5.960 87 1HZ LYS 11 1HZ LYS 11 -8.883 17.521 -5.599 88 2HZ LYS 11 3HZ LYS 11 -9.087 17.775 -7.182 89 3HZ LYS 11 2HZ LYS 11 -8.452 18.991 -6.257 90 H GLY 12 H GLY 12 -8.847 13.872 -1.695 91 1HA GLY 12 2HA GLY 12 -10.653 13.819 0.725 92 2HA GLY 12 1HA GLY 12 -9.962 12.353 0.077 93 H LEU 13 H LEU 13 -7.523 12.587 -0.060 94 HA LEU 13 HA LEU 13 -5.811 14.020 1.632 95 1HB LEU 13 2HB LEU 13 -7.579 12.468 3.265 96 2HB LEU 13 1HB LEU 13 -6.142 11.510 3.252 97 HG LEU 13 HG LEU 13 -6.185 13.017 5.186 98 1HD1 LEU 13 1HD1 LEU 13 -4.098 14.011 3.193 99 2HD1 LEU 13 3HD1 LEU 13 -4.075 14.257 4.923 100 3HD1 LEU 13 2HD1 LEU 13 -3.912 12.638 4.298 101 1HD2 LEU 13 2HD2 LEU 13 -7.607 14.768 4.259 102 2HD2 LEU 13 1HD2 LEU 13 -6.142 15.469 4.911 103 3HD2 LEU 13 3HD2 LEU 13 -6.343 15.301 3.180 104 H LEU 14 H LEU 14 -4.089 12.114 2.619 105 HA LEU 14 HA LEU 14 -2.855 11.054 0.146 106 1HB LEU 14 2HB LEU 14 -1.914 11.329 3.031 107 2HB LEU 14 1HB LEU 14 -0.949 10.504 1.828 108 HG LEU 14 HG LEU 14 -1.901 13.387 1.447 109 1HD1 LEU 14 3HD1 LEU 14 -0.337 13.143 3.425 110 2HD1 LEU 14 2HD1 LEU 14 0.809 12.295 2.387 111 3HD1 LEU 14 1HD1 LEU 14 0.422 13.973 2.083 112 1HD2 LEU 14 2HD2 LEU 14 0.309 11.697 0.146 113 2HD2 LEU 14 1HD2 LEU 14 -1.215 12.092 -0.626 114 3HD2 LEU 14 3HD2 LEU 14 -0.075 13.358 -0.243 115 H VAL 15 H VAL 15 -4.845 9.684 0.207 116 HA VAL 15 HA VAL 15 -4.346 6.975 1.409 117 HB VAL 15 HB VAL 15 -6.406 8.171 2.107 118 1HG1 VAL 15 2HG1 VAL 15 -7.173 8.012 -0.852 119 2HG1 VAL 15 1HG1 VAL 15 -8.229 8.537 0.439 120 3HG1 VAL 15 3HG1 VAL 15 -6.823 9.490 0.022 121 1HG2 VAL 15 2HG2 VAL 15 -6.507 5.654 1.951 122 2HG2 VAL 15 1HG2 VAL 15 -8.050 6.419 1.642 123 3HG2 VAL 15 3HG2 VAL 15 -7.128 5.804 0.306 124 H PHE 16 H PHE 16 -5.528 5.260 -0.268 125 HA PHE 16 HA PHE 16 -4.429 5.870 -3.005 126 1HB PHE 16 2HB PHE 16 -4.633 3.212 -1.544 127 2HB PHE 16 1HB PHE 16 -4.185 3.338 -3.232 128 HD1 PHE 16 HD1 PHE 16 -3.161 4.531 0.165 129 HD2 PHE 16 HD2 PHE 16 -1.935 3.564 -3.787 130 HE1 PHE 16 HE1 PHE 16 -0.824 4.797 0.829 131 HE2 PHE 16 HE2 PHE 16 0.419 3.823 -3.117 132 HZ PHE 16 HZ PHE 16 0.977 4.444 -0.804 133 H GLU 17 H GLU 17 -5.550 5.509 -4.739 134 HA GLU 17 HA GLU 17 -8.435 4.692 -4.534 135 1HB GLU 17 2HB GLU 17 -7.117 6.516 -6.521 136 2HB GLU 17 1HB GLU 17 -8.802 6.091 -6.534 137 1HG GLU 17 2HG GLU 17 -9.323 7.661 -4.891 138 2HG GLU 17 1HG GLU 17 -8.026 7.112 -3.850 139 HA PRO 18 HA PRO 18 -9.063 2.925 -4.246 140 1HB PRO 18 2HB PRO 18 -10.340 0.740 -4.860 141 2HB PRO 18 1HB PRO 18 -10.550 2.163 -5.901 142 1HG PRO 18 2HG PRO 18 -8.771 -0.279 -6.357 143 2HG PRO 18 1HG PRO 18 -9.809 0.544 -7.526 144 1HD PRO 18 2HD PRO 18 -7.009 1.036 -7.086 145 2HD PRO 18 1HD PRO 18 -8.095 2.051 -8.067 146 H ALA 19 H ALA 19 -7.791 2.629 -2.556 147 HA ALA 19 HA ALA 19 -5.765 1.527 -1.547 148 1HB ALA 19 1HB ALA 19 -7.636 2.268 -0.154 149 2HB ALA 19 3HB ALA 19 -8.509 0.779 -0.472 150 3HB ALA 19 2HB ALA 19 -7.033 0.745 0.478 151 H LYS 20 H LYS 20 -8.148 -0.929 -2.230 152 HA LYS 20 HA LYS 20 -5.980 -3.015 -2.078 153 1HB LYS 20 2HB LYS 20 -7.511 -4.543 -1.158 154 2HB LYS 20 1HB LYS 20 -7.878 -3.018 -0.390 155 1HG LYS 20 2HG LYS 20 -10.036 -3.678 -0.910 156 2HG LYS 20 1HG LYS 20 -9.632 -2.767 -2.351 157 1HD LYS 20 2HD LYS 20 -8.682 -5.188 -3.223 158 2HD LYS 20 1HD LYS 20 -9.760 -5.795 -1.990 159 1HE LYS 20 2HE LYS 20 -11.677 -4.761 -2.978 160 2HE LYS 20 1HE LYS 20 -10.674 -3.797 -4.058 161 1HZ LYS 20 2HZ LYS 20 -9.943 -6.509 -4.484 162 2HZ LYS 20 1HZ LYS 20 -11.619 -6.458 -4.508 163 3HZ LYS 20 3HZ LYS 20 -10.692 -5.471 -5.525 164 H LEU 21 H LEU 21 -5.324 -3.587 -4.012 165 HA LEU 21 HA LEU 21 -7.135 -3.647 -6.411 166 1HB LEU 21 2HB LEU 21 -4.808 -2.553 -6.458 167 2HB LEU 21 1HB LEU 21 -4.165 -4.154 -6.316 168 HG LEU 21 HG LEU 21 -5.567 -2.906 -8.710 169 1HD1 LEU 21 2HD1 LEU 21 -3.168 -4.716 -8.342 170 2HD1 LEU 21 1HD1 LEU 21 -3.720 -4.107 -9.887 171 3HD1 LEU 21 3HD1 LEU 21 -3.137 -3.005 -8.644 172 1HD2 LEU 21 1HD2 LEU 21 -5.482 -5.956 -8.381 173 2HD2 LEU 21 3HD2 LEU 21 -6.929 -5.007 -8.571 174 3HD2 LEU 21 2HD2 LEU 21 -5.805 -5.144 -9.873 175 H THR 22 H THR 22 -8.022 -5.643 -7.008 176 HA THR 22 HA THR 22 -6.618 -8.110 -6.006 177 HB THR 22 HB THR 22 -9.420 -7.954 -7.265 178 HG1 THR 22 HG1 THR 22 -8.903 -8.673 -4.652 179 1HG2 THR 22 1HG2 THR 22 -7.976 -10.091 -5.541 180 2HG2 THR 22 3HG2 THR 22 -9.601 -10.218 -6.210 181 3HG2 THR 22 2HG2 THR 22 -8.209 -10.232 -7.265 182 H ILE 23 H ILE 23 -5.023 -8.483 -7.376 183 HA ILE 23 HA ILE 23 -5.505 -8.478 -10.280 184 HB ILE 23 HB ILE 23 -2.992 -8.662 -10.557 185 1HG1 ILE 23 2HG1 ILE 23 -2.603 -8.242 -7.620 186 2HG1 ILE 23 1HG1 ILE 23 -2.845 -9.861 -8.218 187 1HG2 ILE 23 1HG2 ILE 23 -4.024 -6.428 -10.341 188 2HG2 ILE 23 3HG2 ILE 23 -3.681 -6.547 -8.605 189 3HG2 ILE 23 2HG2 ILE 23 -2.369 -6.520 -9.776 190 1HD1 ILE 23 1HD1 ILE 23 -0.735 -7.963 -9.353 191 2HD1 ILE 23 3HD1 ILE 23 -0.402 -9.308 -8.277 192 3HD1 ILE 23 2HD1 ILE 23 -1.042 -9.602 -9.870 193 H LYS 24 H LYS 24 -3.952 -10.106 -11.457 194 HA LYS 24 HA LYS 24 -4.728 -12.660 -10.343 195 1HB LYS 24 2HB LYS 24 -3.510 -12.309 -13.123 196 2HB LYS 24 1HB LYS 24 -4.692 -13.491 -12.641 197 1HG LYS 24 2HG LYS 24 -6.446 -12.328 -13.105 198 2HG LYS 24 1HG LYS 24 -5.882 -10.846 -12.388 199 1HD LYS 24 2HD LYS 24 -4.144 -10.836 -14.401 200 2HD LYS 24 1HD LYS 24 -5.203 -12.041 -15.124 201 1HE LYS 24 2HE LYS 24 -5.801 -9.806 -15.977 202 2HE LYS 24 1HE LYS 24 -7.069 -10.318 -14.853 203 1HZ LYS 24 3HZ LYS 24 -4.960 -9.309 -13.330 204 2HZ LYS 24 2HZ LYS 24 -5.162 -8.219 -14.566 205 3HZ LYS 24 1HZ LYS 24 -6.466 -8.521 -13.595 206 HA PRO 25 HA PRO 25 -0.281 -13.499 -9.857 207 1HB PRO 25 2HB PRO 25 0.262 -15.949 -10.938 208 2HB PRO 25 1HB PRO 25 -0.695 -15.765 -9.467 209 1HG PRO 25 2HG PRO 25 -1.751 -15.949 -12.359 210 2HG PRO 25 1HG PRO 25 -2.209 -16.979 -10.998 211 1HD PRO 25 2HD PRO 25 -3.718 -14.865 -11.645 212 2HD PRO 25 1HD PRO 25 -3.453 -15.173 -9.926 213 H GLY 26 H GLY 26 -0.226 -11.579 -11.468 214 1HA GLY 26 2HA GLY 26 1.925 -11.308 -13.033 215 2HA GLY 26 1HA GLY 26 1.064 -12.381 -14.079 216 H ASP 27 H ASP 27 0.658 -9.192 -12.617 217 HA ASP 27 HA ASP 27 -0.542 -8.383 -15.204 218 1HB ASP 27 2HB ASP 27 -1.253 -7.701 -12.327 219 2HB ASP 27 1HB ASP 27 -1.680 -6.515 -13.534 220 H THR 28 H THR 28 -0.539 -5.953 -15.468 221 HA THR 28 HA THR 28 2.191 -4.872 -15.366 222 HB THR 28 HB THR 28 0.146 -4.353 -17.501 223 HG1 THR 28 HG1 THR 28 2.333 -6.075 -16.965 224 1HG2 THR 28 2HG2 THR 28 2.260 -2.780 -17.294 225 2HG2 THR 28 1HG2 THR 28 3.192 -4.252 -17.442 226 3HG2 THR 28 3HG2 THR 28 2.148 -3.745 -18.747 227 H VAL 29 H VAL 29 -0.092 -4.353 -13.726 228 HA VAL 29 HA VAL 29 -1.334 -1.860 -13.779 229 HB VAL 29 HB VAL 29 0.085 -2.982 -11.266 230 1HG1 VAL 29 3HG1 VAL 29 -2.589 -1.500 -11.446 231 2HG1 VAL 29 2HG1 VAL 29 -1.846 -2.084 -9.968 232 3HG1 VAL 29 1HG1 VAL 29 -1.081 -0.820 -10.882 233 1HG2 VAL 29 2HG2 VAL 29 -2.626 -3.954 -12.295 234 2HG2 VAL 29 1HG2 VAL 29 -1.138 -4.885 -12.273 235 3HG2 VAL 29 3HG2 VAL 29 -1.877 -4.419 -10.774 236 H GLU 30 H GLU 30 -1.335 0.075 -13.306 237 HA GLU 30 HA GLU 30 1.285 1.347 -13.141 238 1HB GLU 30 2HB GLU 30 -0.895 1.616 -14.986 239 2HB GLU 30 1HB GLU 30 -0.634 3.165 -14.197 240 1HG GLU 30 2HG GLU 30 1.599 1.545 -15.502 241 2HG GLU 30 1HG GLU 30 0.797 2.863 -16.282 242 H PHE 31 H PHE 31 1.721 2.728 -11.693 243 HA PHE 31 HA PHE 31 -0.307 3.718 -9.699 244 1HB PHE 31 2HB PHE 31 2.628 2.995 -9.455 245 2HB PHE 31 1HB PHE 31 1.812 3.920 -8.205 246 HD1 PHE 31 HD1 PHE 31 -0.039 2.888 -6.923 247 HD2 PHE 31 HD2 PHE 31 2.126 0.667 -9.827 248 HE1 PHE 31 HE1 PHE 31 -0.958 0.805 -6.000 249 HE2 PHE 31 HE2 PHE 31 1.209 -1.421 -8.913 250 HZ PHE 31 HZ PHE 31 -0.338 -1.355 -6.996 251 H LEU 32 H LEU 32 -0.818 5.806 -10.144 252 HA LEU 32 HA LEU 32 1.146 7.595 -11.396 253 1HB LEU 32 2HB LEU 32 -1.075 7.118 -12.355 254 2HB LEU 32 1HB LEU 32 -1.827 7.896 -10.986 255 HG LEU 32 HG LEU 32 0.141 9.437 -12.758 256 1HD1 LEU 32 1HD1 LEU 32 -2.894 9.126 -13.032 257 2HD1 LEU 32 3HD1 LEU 32 -1.871 10.186 -13.985 258 3HD1 LEU 32 2HD1 LEU 32 -1.714 8.450 -14.140 259 1HD2 LEU 32 3HD2 LEU 32 -2.277 10.270 -11.069 260 2HD2 LEU 32 2HD2 LEU 32 -0.616 10.467 -10.543 261 3HD2 LEU 32 1HD2 LEU 32 -1.192 11.334 -11.943 262 H ASN 33 H ASN 33 2.104 9.275 -10.503 263 HA ASN 33 HA ASN 33 2.232 9.980 -7.717 264 1HB ASN 33 2HB ASN 33 3.352 11.104 -10.245 265 2HB ASN 33 1HB ASN 33 3.560 11.931 -8.711 266 1HD2 ASN 33 2HD2 ASN 33 5.759 8.763 -9.407 267 2HD2 ASN 33 1HD2 ASN 33 4.642 9.328 -10.586 268 H ASN 34 H ASN 34 -0.403 10.224 -8.071 269 HA ASN 34 HA ASN 34 -2.049 12.005 -8.743 270 1HB ASN 34 2HB ASN 34 -2.210 10.689 -6.565 271 2HB ASN 34 1HB ASN 34 -1.276 11.909 -5.737 272 1HD2 ASN 34 2HD2 ASN 34 -4.206 13.705 -5.117 273 2HD2 ASN 34 1HD2 ASN 34 -2.627 13.359 -4.611 274 H LYS 35 H LYS 35 -0.464 13.738 -6.154 275 HA LYS 35 HA LYS 35 0.314 15.936 -7.810 276 1HB LYS 35 2HB LYS 35 -2.328 16.123 -7.669 277 2HB LYS 35 1HB LYS 35 -2.111 16.395 -5.972 278 1HG LYS 35 2HG LYS 35 -2.330 18.569 -6.764 279 2HG LYS 35 1HG LYS 35 -0.606 18.439 -6.634 280 1HD LYS 35 2HD LYS 35 -2.247 18.165 -9.214 281 2HD LYS 35 1HD LYS 35 -1.292 19.542 -8.752 282 1HE LYS 35 2HE LYS 35 0.140 18.560 -10.274 283 2HE LYS 35 1HE LYS 35 0.733 17.863 -8.784 284 1HZ LYS 35 2HZ LYS 35 -1.406 16.200 -9.649 285 2HZ LYS 35 1HZ LYS 35 -0.404 16.490 -10.993 286 3HZ LYS 35 3HZ LYS 35 0.203 15.813 -9.640 287 H VAL 36 H VAL 36 -0.123 14.834 -5.001 288 HA VAL 36 HA VAL 36 1.790 16.636 -3.527 289 HB VAL 36 HB VAL 36 -0.206 14.654 -2.342 290 1HG1 VAL 36 2HG1 VAL 36 1.437 16.903 -1.073 291 2HG1 VAL 36 1HG1 VAL 36 0.282 15.888 -0.234 292 3HG1 VAL 36 3HG1 VAL 36 1.757 15.191 -0.874 293 1HG2 VAL 36 3HG2 VAL 36 -0.357 17.706 -2.571 294 2HG2 VAL 36 2HG2 VAL 36 -1.362 16.594 -3.478 295 3HG2 VAL 36 1HG2 VAL 36 -1.516 16.695 -1.739 296 HA PRO 37 HA PRO 37 4.246 12.784 -3.522 297 1HB PRO 37 2HB PRO 37 6.557 13.791 -4.349 298 2HB PRO 37 1HB PRO 37 5.168 13.875 -5.429 299 1HG PRO 37 2HG PRO 37 6.302 16.049 -3.566 300 2HG PRO 37 1HG PRO 37 5.807 16.242 -5.242 301 1HD PRO 37 2HD PRO 37 4.162 16.737 -2.944 302 2HD PRO 37 1HD PRO 37 3.589 16.622 -4.624 303 HA PRO 38 HA PRO 38 6.547 12.040 -3.496 304 1HB PRO 38 2HB PRO 38 8.978 11.434 -2.672 305 2HB PRO 38 1HB PRO 38 8.601 13.132 -2.974 306 1HG PRO 38 2HG PRO 38 8.668 11.685 -0.266 307 2HG PRO 38 1HG PRO 38 9.301 13.284 -0.659 308 1HD PRO 38 2HD PRO 38 6.681 12.682 0.428 309 2HD PRO 38 1HD PRO 38 7.216 14.267 -0.170 310 H HIS 39 HN HIP 39 6.035 10.022 -3.873 311 HA HIS 39 HA HIP 39 5.399 8.263 -1.530 312 1HB HIS 39 2HB HIP 39 4.617 7.833 -4.441 313 2HB HIS 39 1HB HIP 39 3.854 7.119 -3.039 314 HD2 HIS 39 HD2 HIP 39 3.897 10.257 -5.205 315 HE1 HIS 39 HE1 HIP 39 1.021 10.960 -2.277 316 HE2 HIS 39 HE2 HIP 39 2.010 11.735 -4.324 317 H ASN 40 H ASN 40 7.555 7.690 -1.105 318 HA ASN 40 HA ASN 40 9.185 6.126 -3.026 319 1HB ASN 40 2HB ASN 40 9.873 7.869 -1.172 320 2HB ASN 40 1HB ASN 40 9.455 6.641 -0.014 321 1HD2 ASN 40 2HD2 ASN 40 12.733 5.656 0.073 322 2HD2 ASN 40 1HD2 ASN 40 11.358 6.047 0.960 323 H VAL 41 H VAL 41 6.791 4.985 -2.932 324 HA VAL 41 HA VAL 41 6.185 3.056 -1.052 325 HB VAL 41 HB VAL 41 4.786 1.993 -2.542 326 1HG1 VAL 41 1HG1 VAL 41 4.609 5.032 -2.674 327 2HG1 VAL 41 3HG1 VAL 41 3.289 3.964 -3.110 328 3HG1 VAL 41 2HG1 VAL 41 3.886 3.970 -1.472 329 1HG2 VAL 41 2HG2 VAL 41 6.064 2.263 -4.754 330 2HG2 VAL 41 1HG2 VAL 41 4.486 2.986 -4.942 331 3HG2 VAL 41 3HG2 VAL 41 5.888 3.999 -4.654 332 H VAL 42 H VAL 42 6.928 1.475 -0.355 333 HA VAL 42 HA VAL 42 8.326 -0.570 -2.018 334 HB VAL 42 HB VAL 42 9.295 -1.097 0.456 335 1HG1 VAL 42 3HG1 VAL 42 9.929 1.333 -1.260 336 2HG1 VAL 42 2HG1 VAL 42 11.051 0.518 -0.149 337 3HG1 VAL 42 1HG1 VAL 42 10.584 -0.230 -1.657 338 1HG2 VAL 42 3HG2 VAL 42 7.790 0.711 1.402 339 2HG2 VAL 42 2HG2 VAL 42 9.504 1.017 1.693 340 3HG2 VAL 42 1HG2 VAL 42 8.608 1.903 0.477 341 H PHE 43 H PHE 43 8.151 -2.786 -1.415 342 HA PHE 43 HA PHE 43 5.463 -3.612 -0.542 343 1HB PHE 43 2HB PHE 43 7.524 -4.748 -2.393 344 2HB PHE 43 1HB PHE 43 6.380 -5.842 -1.647 345 HD1 PHE 43 HD1 PHE 43 6.232 -2.383 -3.183 346 HD2 PHE 43 HD2 PHE 43 4.504 -6.254 -2.937 347 HE1 PHE 43 HE1 PHE 43 4.516 -1.708 -4.793 348 HE2 PHE 43 HE2 PHE 43 2.773 -5.577 -4.556 349 HZ PHE 43 HZ PHE 43 2.784 -3.297 -5.481 350 H ASP 44 H ASP 44 5.234 -4.245 1.387 351 HA ASP 44 HA ASP 44 7.092 -4.624 3.418 352 1HB ASP 44 2HB ASP 44 4.623 -4.031 3.372 353 2HB ASP 44 1HB ASP 44 4.264 -5.733 3.174 354 H ALA 45 H ALA 45 7.754 -6.322 4.657 355 HA ALA 45 HA ALA 45 8.345 -8.864 3.284 356 1HB ALA 45 1HB ALA 45 10.277 -7.470 3.912 357 2HB ALA 45 3HB ALA 45 9.758 -7.460 5.591 358 3HB ALA 45 2HB ALA 45 10.305 -8.959 4.845 359 H ALA 46 H ALA 46 6.476 -7.664 5.606 360 HA ALA 46 HA ALA 46 6.019 -10.167 7.157 361 1HB ALA 46 2HB ALA 46 6.701 -8.106 8.445 362 2HB ALA 46 1HB ALA 46 5.363 -7.230 7.733 363 3HB ALA 46 3HB ALA 46 5.044 -8.553 8.843 364 H LEU 47 H LEU 47 4.412 -7.458 5.512 365 HA LEU 47 HA LEU 47 1.871 -8.989 5.370 366 1HB LEU 47 2HB LEU 47 2.655 -6.147 4.696 367 2HB LEU 47 1HB LEU 47 1.108 -6.781 4.232 368 HG LEU 47 HG LEU 47 1.116 -5.415 6.370 369 1HD1 LEU 47 3HD1 LEU 47 -0.683 -7.107 5.885 370 2HD1 LEU 47 2HD1 LEU 47 0.286 -8.351 6.657 371 3HD1 LEU 47 1HD1 LEU 47 -0.340 -7.014 7.603 372 1HD2 LEU 47 3HD2 LEU 47 3.241 -6.239 7.289 373 2HD2 LEU 47 2HD2 LEU 47 1.929 -6.464 8.427 374 3HD2 LEU 47 1HD2 LEU 47 2.542 -7.838 7.529 375 H ASN 48 H ASN 48 3.185 -10.497 4.019 376 HA ASN 48 HA ASN 48 2.223 -10.330 1.240 377 1HB ASN 48 2HB ASN 48 4.383 -10.399 0.142 378 2HB ASN 48 1HB ASN 48 4.602 -9.209 1.399 379 1HD2 ASN 48 2HD2 ASN 48 7.432 -10.825 2.499 380 2HD2 ASN 48 1HD2 ASN 48 6.586 -9.371 2.242 381 HA PRO 49 HA PRO 49 0.773 -14.204 2.043 382 1HB PRO 49 2HB PRO 49 1.785 -15.899 -0.006 383 2HB PRO 49 1HB PRO 49 0.375 -14.865 -0.135 384 1HG PRO 49 2HG PRO 49 3.267 -14.188 -0.913 385 2HG PRO 49 1HG PRO 49 1.795 -13.951 -1.853 386 1HD PRO 49 2HD PRO 49 2.763 -11.844 -0.555 387 2HD PRO 49 1HD PRO 49 1.023 -12.171 -0.353 388 H ALA 50 H ALA 50 4.037 -14.900 1.122 389 HA ALA 50 HA ALA 50 4.381 -16.722 3.494 390 1HB ALA 50 3HB ALA 50 4.572 -17.777 1.255 391 2HB ALA 50 2HB ALA 50 5.826 -16.621 0.819 392 3HB ALA 50 1HB ALA 50 6.128 -17.795 2.085 393 H LYS 51 H LYS 51 4.514 -13.982 3.837 394 HA LYS 51 HA LYS 51 6.035 -12.097 3.993 395 1HB LYS 51 2HB LYS 51 6.428 -12.208 6.356 396 2HB LYS 51 1HB LYS 51 4.917 -12.956 5.951 397 1HG LYS 51 2HG LYS 51 5.495 -15.031 6.626 398 2HG LYS 51 1HG LYS 51 7.055 -14.986 5.845 399 1HD LYS 51 2HD LYS 51 6.346 -13.520 8.400 400 2HD LYS 51 1HD LYS 51 7.158 -15.092 8.349 401 1HE LYS 51 2HE LYS 51 9.051 -14.100 7.070 402 2HE LYS 51 1HE LYS 51 8.269 -12.528 7.034 403 1HZ LYS 51 1HZ LYS 51 8.287 -13.450 9.696 404 2HZ LYS 51 3HZ LYS 51 9.867 -13.588 9.077 405 3HZ LYS 51 2HZ LYS 51 9.070 -12.088 9.045 406 H SER 52 H SER 52 7.405 -12.975 2.222 407 HA SER 52 HA SER 52 10.161 -13.842 2.940 408 1HB SER 52 2HB SER 52 9.241 -13.010 0.135 409 2HB SER 52 1HB SER 52 10.492 -14.171 0.564 410 HG SER 52 HG SER 52 8.281 -15.019 1.785 411 H ALA 53 H ALA 53 11.962 -12.541 1.766 412 HA ALA 53 HA ALA 53 11.556 -9.581 2.303 413 1HB ALA 53 1HB ALA 53 13.084 -10.775 3.911 414 2HB ALA 53 3HB ALA 53 14.076 -11.328 2.568 415 3HB ALA 53 2HB ALA 53 14.002 -9.612 2.969 416 H ASP 54 H ASP 54 13.309 -11.882 0.528 417 HA ASP 54 HA ASP 54 14.614 -10.669 -1.530 418 1HB ASP 54 2HB ASP 54 13.987 -13.066 -2.559 419 2HB ASP 54 1HB ASP 54 14.806 -13.051 -1.013 420 H LEU 55 H LEU 55 11.474 -12.081 -2.233 421 HA LEU 55 HA LEU 55 11.007 -10.404 -4.534 422 1HB LEU 55 2HB LEU 55 10.145 -12.846 -3.798 423 2HB LEU 55 1HB LEU 55 8.779 -11.954 -3.195 424 HG LEU 55 HG LEU 55 8.320 -12.794 -5.489 425 1HD1 LEU 55 1HD1 LEU 55 7.362 -10.520 -4.943 426 2HD1 LEU 55 3HD1 LEU 55 8.779 -9.781 -5.670 427 3HD1 LEU 55 2HD1 LEU 55 7.707 -10.742 -6.649 428 1HD2 LEU 55 2HD2 LEU 55 10.683 -12.858 -6.293 429 2HD2 LEU 55 1HD2 LEU 55 9.629 -12.016 -7.409 430 3HD2 LEU 55 3HD2 LEU 55 10.707 -11.106 -6.388 431 H ALA 56 H ALA 56 10.524 -9.855 -1.220 432 HA ALA 56 HA ALA 56 8.228 -8.018 -1.433 433 1HB ALA 56 3HB ALA 56 8.984 -9.125 0.767 434 2HB ALA 56 2HB ALA 56 10.451 -8.164 0.721 435 3HB ALA 56 1HB ALA 56 8.902 -7.382 0.896 436 H LYS 57 H LYS 57 11.700 -7.596 -1.043 437 HA LYS 57 HA LYS 57 11.700 -4.789 -1.783 438 1HB LYS 57 2HB LYS 57 13.920 -6.875 -1.997 439 2HB LYS 57 1HB LYS 57 14.189 -5.134 -2.071 440 1HG LYS 57 2HG LYS 57 13.263 -4.881 0.237 441 2HG LYS 57 1HG LYS 57 13.037 -6.605 0.369 442 1HD LYS 57 2HD LYS 57 15.709 -5.162 -0.069 443 2HD LYS 57 1HD LYS 57 15.186 -5.866 1.450 444 1HE LYS 57 2HE LYS 57 15.113 -8.130 0.336 445 2HE LYS 57 1HE LYS 57 15.731 -7.395 -1.141 446 1HZ LYS 57 3HZ LYS 57 17.338 -6.491 0.995 447 2HZ LYS 57 2HZ LYS 57 17.243 -8.173 1.133 448 3HZ LYS 57 1HZ LYS 57 17.813 -7.467 -0.298 449 H SER 58 H SER 58 12.468 -7.691 -3.631 450 HA SER 58 HA SER 58 13.093 -6.678 -6.155 451 1HB SER 58 2HB SER 58 12.863 -9.169 -5.584 452 2HB SER 58 1HB SER 58 11.112 -8.935 -5.786 453 HG SER 58 HG SER 58 11.971 -7.764 -7.878 454 H LEU 59 H LEU 59 10.084 -6.485 -4.605 455 HA LEU 59 HA LEU 59 8.740 -5.442 -7.040 456 1HB LEU 59 2HB LEU 59 7.891 -7.296 -5.162 457 2HB LEU 59 1HB LEU 59 7.230 -5.850 -4.453 458 HG LEU 59 HG LEU 59 5.541 -6.822 -5.896 459 1HD1 LEU 59 2HD1 LEU 59 5.735 -4.332 -6.005 460 2HD1 LEU 59 1HD1 LEU 59 6.819 -4.464 -7.367 461 3HD1 LEU 59 3HD1 LEU 59 5.163 -4.988 -7.524 462 1HD2 LEU 59 3HD2 LEU 59 7.687 -6.753 -8.084 463 2HD2 LEU 59 2HD2 LEU 59 7.075 -8.187 -7.292 464 3HD2 LEU 59 1HD2 LEU 59 6.037 -7.221 -8.319 465 H SER 60 H SER 60 9.426 -4.632 -3.611 466 HA SER 60 HA SER 60 8.348 -2.086 -3.459 467 1HB SER 60 2HB SER 60 9.870 -2.007 -1.425 468 2HB SER 60 1HB SER 60 9.841 -3.703 -1.788 469 HG SER 60 HG SER 60 11.611 -2.961 -3.440 470 H HIS 61 H HIS 61 8.799 0.010 -4.077 471 HA HIS 61 HA HIS 61 11.086 0.336 -5.963 472 1HB HIS 61 2HB HIS 61 8.225 1.275 -5.906 473 2HB HIS 61 1HB HIS 61 9.393 2.319 -6.675 474 HD1 HIS 61 HD1 HIS 61 8.863 -1.469 -6.986 475 HD2 HIS 61 HD2 HIS 61 9.319 1.877 -9.290 476 HE1 HIS 61 HE1 HIS 61 8.810 -2.206 -9.326 477 H LYS 62 H LYS 62 12.669 1.703 -5.390 478 HA LYS 62 HA LYS 62 12.109 3.851 -3.357 479 1HB LYS 62 2HB LYS 62 14.714 2.304 -3.796 480 2HB LYS 62 1HB LYS 62 14.511 3.524 -2.578 481 1HG LYS 62 2HG LYS 62 12.775 1.011 -2.571 482 2HG LYS 62 1HG LYS 62 14.376 0.979 -1.907 483 1HD LYS 62 2HD LYS 62 12.803 1.406 -0.059 484 2HD LYS 62 1HD LYS 62 13.784 2.815 -0.299 485 1HE LYS 62 2HE LYS 62 12.132 4.056 -1.256 486 2HE LYS 62 1HE LYS 62 11.159 2.706 -1.746 487 1HZ LYS 62 2HZ LYS 62 11.449 2.622 1.118 488 2HZ LYS 62 1HZ LYS 62 11.024 4.116 0.719 489 3HZ LYS 62 3HZ LYS 62 10.043 2.887 0.229 490 H GLN 63 H GLN 63 13.011 5.727 -3.517 491 HA GLN 63 HA GLN 63 14.756 7.290 -4.471 492 1HB GLN 63 2HB GLN 63 15.133 5.981 -6.495 493 2HB GLN 63 1HB GLN 63 13.471 6.226 -7.010 494 1HG GLN 63 2HG GLN 63 15.386 7.766 -8.078 495 2HG GLN 63 1HG GLN 63 13.892 8.545 -7.631 496 1HE2 GLN 63 2HE2 GLN 63 15.509 10.605 -5.358 497 2HE2 GLN 63 1HE2 GLN 63 14.051 10.221 -6.174 498 H LEU 64 H LEU 64 12.935 7.955 -3.000 499 HA LEU 64 HA LEU 64 10.736 9.086 -2.757 500 1HB LEU 64 2HB LEU 64 13.213 10.767 -3.110 501 2HB LEU 64 1HB LEU 64 11.727 11.539 -2.628 502 HG LEU 64 HG LEU 64 12.859 9.136 -1.085 503 1HD1 LEU 64 3HD1 LEU 64 13.188 12.143 -0.604 504 2HD1 LEU 64 2HD1 LEU 64 13.757 10.869 0.458 505 3HD1 LEU 64 1HD1 LEU 64 14.471 11.068 -1.131 506 1HD2 LEU 64 3HD2 LEU 64 10.397 9.856 -0.752 507 2HD2 LEU 64 2HD2 LEU 64 11.391 10.088 0.678 508 3HD2 LEU 64 1HD2 LEU 64 10.991 11.452 -0.347 509 H LEU 65 H LEU 65 9.411 8.641 -4.542 510 HA LEU 65 HA LEU 65 9.375 9.923 -7.026 511 1HB LEU 65 2HB LEU 65 7.300 8.601 -5.246 512 2HB LEU 65 1HB LEU 65 6.774 9.363 -6.720 513 HG LEU 65 HG LEU 65 8.413 7.943 -8.011 514 1HD1 LEU 65 2HD1 LEU 65 8.754 6.541 -5.324 515 2HD1 LEU 65 1HD1 LEU 65 9.373 5.978 -6.861 516 3HD1 LEU 65 3HD1 LEU 65 10.020 7.442 -6.162 517 1HD2 LEU 65 2HD2 LEU 65 6.030 7.272 -7.700 518 2HD2 LEU 65 1HD2 LEU 65 7.081 5.863 -7.736 519 3HD2 LEU 65 3HD2 LEU 65 6.456 6.454 -6.209 520 H MET 66 H MET 66 10.011 12.004 -6.578 521 HA MET 66 HA MET 66 8.063 14.039 -5.592 522 1HB MET 66 2HB MET 66 10.397 13.824 -4.901 523 2HB MET 66 1HB MET 66 10.879 14.133 -6.563 524 1HG MET 66 2HG MET 66 11.034 16.166 -5.051 525 2HG MET 66 1HG MET 66 10.117 16.401 -6.503 526 1HE MET 66 2HE MET 66 7.870 17.233 -6.662 527 2HE MET 66 1HE MET 66 7.254 18.205 -5.336 528 3HE MET 66 3HE MET 66 8.880 18.491 -5.921 529 H SER 67 H SER 67 7.489 12.671 -7.755 530 HA SER 67 HA SER 67 7.487 14.594 -10.111 531 1HB SER 67 2HB SER 67 8.613 12.480 -10.535 532 2HB SER 67 1HB SER 67 7.119 11.592 -10.201 533 HG SER 67 HG SER 67 6.108 12.941 -11.839 534 HA PRO 68 HA PRO 68 3.165 14.119 -8.118 535 1HB PRO 68 2HB PRO 68 2.524 16.832 -8.113 536 2HB PRO 68 1HB PRO 68 3.458 16.031 -6.854 537 1HG PRO 68 2HG PRO 68 4.536 17.417 -9.373 538 2HG PRO 68 1HG PRO 68 4.929 17.811 -7.695 539 1HD PRO 68 2HD PRO 68 6.573 16.202 -8.974 540 2HD PRO 68 1HD PRO 68 6.030 15.632 -7.381 541 H GLY 69 H GLY 69 2.739 12.982 -10.116 542 1HA GLY 69 2HA GLY 69 0.425 13.261 -11.435 543 2HA GLY 69 1HA GLY 69 1.369 14.432 -12.338 544 H GLN 70 H GLN 70 3.796 12.644 -12.237 545 HA GLN 70 HA GLN 70 3.045 11.138 -14.670 546 1HB GLN 70 2HB GLN 70 5.252 12.182 -14.661 547 2HB GLN 70 1HB GLN 70 5.687 11.424 -13.144 548 1HG GLN 70 2HG GLN 70 6.786 10.301 -15.157 549 2HG GLN 70 1HG GLN 70 5.788 9.159 -14.291 550 1HE2 GLN 70 2HE2 GLN 70 4.156 8.428 -17.259 551 2HE2 GLN 70 1HE2 GLN 70 4.844 7.820 -15.830 552 H SER 71 H SER 71 3.290 8.846 -14.954 553 HA SER 71 HA SER 71 2.742 7.253 -12.492 554 1HB SER 71 2HB SER 71 1.520 5.751 -14.093 555 2HB SER 71 1HB SER 71 0.945 7.413 -14.211 556 HG SER 71 HG SER 71 2.537 5.961 -15.937 557 H THR 72 H THR 72 3.418 5.217 -12.251 558 HA THR 72 HA THR 72 6.074 4.538 -13.502 559 HB THR 72 HB THR 72 6.487 5.088 -11.277 560 HG1 THR 72 HG1 THR 72 6.230 2.284 -11.299 561 1HG2 THR 72 2HG2 THR 72 4.572 2.853 -10.393 562 2HG2 THR 72 1HG2 THR 72 5.599 3.842 -9.389 563 3HG2 THR 72 3HG2 THR 72 4.212 4.558 -10.199 564 H SER 73 H SER 73 4.966 3.193 -15.195 565 HA SER 73 HA SER 73 3.259 1.028 -14.814 566 1HB SER 73 2HB SER 73 5.780 1.099 -16.644 567 2HB SER 73 1HB SER 73 4.335 0.124 -16.968 568 HG SER 73 HG SER 73 3.580 2.721 -16.554 569 H THR 74 H THR 74 3.206 -0.092 -13.208 570 HA THR 74 HA THR 74 5.570 -1.580 -12.198 571 HB THR 74 HB THR 74 2.816 -1.322 -10.861 572 HG1 THR 74 HG1 THR 74 4.405 0.609 -11.247 573 1HG2 THR 74 1HG2 THR 74 5.633 -1.859 -9.799 574 2HG2 THR 74 3HG2 THR 74 4.147 -1.832 -8.877 575 3HG2 THR 74 2HG2 THR 74 4.446 -3.146 -10.007 576 H THR 75 H THR 75 5.717 -3.212 -13.679 577 HA THR 75 HA THR 75 3.412 -5.154 -13.737 578 HB THR 75 HB THR 75 4.469 -4.190 -15.958 579 HG1 THR 75 HG1 THR 75 4.423 -7.028 -15.767 580 1HG2 THR 75 1HG2 THR 75 6.860 -4.933 -15.457 581 2HG2 THR 75 3HG2 THR 75 6.300 -6.594 -15.447 582 3HG2 THR 75 2HG2 THR 75 6.182 -5.642 -16.913 583 H PHE 76 H PHE 76 3.673 -7.217 -13.657 584 HA PHE 76 HA PHE 76 5.875 -8.231 -11.924 585 1HB PHE 76 2HB PHE 76 3.108 -9.395 -12.596 586 2HB PHE 76 1HB PHE 76 4.189 -10.050 -11.371 587 HD1 PHE 76 HD1 PHE 76 4.861 -8.508 -9.443 588 HD2 PHE 76 HD2 PHE 76 1.652 -7.587 -12.042 589 HE1 PHE 76 HE1 PHE 76 4.003 -6.859 -7.814 590 HE2 PHE 76 HE2 PHE 76 0.795 -5.952 -10.451 591 HZ PHE 76 HZ PHE 76 1.981 -5.570 -8.330 592 HA PRO 77 HA PRO 77 6.451 -11.192 -15.407 593 1HB PRO 77 2HB PRO 77 7.826 -13.092 -13.601 594 2HB PRO 77 1HB PRO 77 8.529 -12.104 -14.877 595 1HG PRO 77 2HG PRO 77 9.021 -11.641 -12.187 596 2HG PRO 77 1HG PRO 77 9.066 -10.326 -13.369 597 1HD PRO 77 2HD PRO 77 6.739 -11.133 -11.544 598 2HD PRO 77 1HD PRO 77 7.438 -9.531 -11.830 599 H ALA 78 H ALA 78 6.391 -14.022 -14.781 600 HA ALA 78 HA ALA 78 3.466 -14.326 -14.150 601 1HB ALA 78 2HB ALA 78 5.328 -15.985 -15.925 602 2HB ALA 78 1HB ALA 78 3.619 -16.293 -15.688 603 3HB ALA 78 3HB ALA 78 4.135 -14.817 -16.487 604 H ASP 79 H ASP 79 5.153 -14.224 -12.095 605 HA ASP 79 HA ASP 79 5.268 -16.954 -10.888 606 1HB ASP 79 2HB ASP 79 7.020 -15.772 -9.403 607 2HB ASP 79 1HB ASP 79 7.444 -15.759 -11.110 608 H ALA 80 H ALA 80 4.682 -13.661 -10.025 609 HA ALA 80 HA ALA 80 3.634 -12.842 -7.962 610 1HB ALA 80 1HB ALA 80 1.784 -13.491 -10.216 611 2HB ALA 80 3HB ALA 80 1.395 -12.280 -8.983 612 3HB ALA 80 2HB ALA 80 2.764 -12.046 -10.073 613 HA PRO 81 HA PRO 81 2.272 -16.851 -5.875 614 1HB PRO 81 2HB PRO 81 3.443 -15.748 -3.515 615 2HB PRO 81 1HB PRO 81 4.174 -16.954 -4.579 616 1HG PRO 81 2HG PRO 81 4.399 -13.892 -4.757 617 2HG PRO 81 1HG PRO 81 5.739 -15.049 -4.764 618 1HD PRO 81 2HD PRO 81 4.968 -14.158 -7.102 619 2HD PRO 81 1HD PRO 81 4.980 -15.922 -6.981 620 H ALA 82 H ALA 82 0.124 -16.584 -5.866 621 HA ALA 82 HA ALA 82 -1.593 -14.594 -5.222 622 1HB ALA 82 2HB ALA 82 -2.291 -16.825 -5.944 623 2HB ALA 82 1HB ALA 82 -1.887 -17.501 -4.369 624 3HB ALA 82 3HB ALA 82 -3.213 -16.358 -4.536 625 H GLY 83 H GLY 83 -2.771 -13.820 -3.520 626 1HA GLY 83 2HA GLY 83 -3.248 -13.901 -0.992 627 2HA GLY 83 1HA GLY 83 -1.515 -13.934 -0.782 628 H GLU 84 H GLU 84 -1.973 -12.314 0.651 629 HA GLU 84 HA GLU 84 -2.732 -9.606 -0.188 630 1HB GLU 84 2HB GLU 84 -2.065 -10.857 2.504 631 2HB GLU 84 1HB GLU 84 -2.601 -9.210 2.310 632 1HG GLU 84 2HG GLU 84 -4.307 -11.545 1.255 633 2HG GLU 84 1HG GLU 84 -4.500 -10.882 2.868 634 H TYR 85 H TYR 85 -1.100 -8.397 -1.175 635 HA TYR 85 HA TYR 85 1.595 -8.314 0.198 636 1HB TYR 85 2HB TYR 85 1.191 -7.035 -2.508 637 2HB TYR 85 1HB TYR 85 2.656 -7.520 -1.723 638 HD1 TYR 85 HD2 TYR 85 0.534 -10.404 -1.630 639 HD2 TYR 85 HD1 TYR 85 2.928 -7.993 -4.192 640 HE1 TYR 85 HE2 TYR 85 0.773 -12.277 -3.215 641 HE2 TYR 85 HE1 TYR 85 3.141 -9.891 -5.753 642 HH TYR 85 HH TYR 85 1.577 -12.919 -5.123 643 H THR 86 H THR 86 1.945 -6.427 1.356 644 HA THR 86 HA THR 86 0.242 -4.022 0.702 645 HB THR 86 HB THR 86 1.876 -4.536 3.221 646 HG1 THR 86 HG1 THR 86 -0.001 -5.327 3.710 647 1HG2 THR 86 3HG2 THR 86 -0.213 -2.392 2.531 648 2HG2 THR 86 2HG2 THR 86 0.637 -2.574 4.056 649 3HG2 THR 86 1HG2 THR 86 1.495 -2.012 2.640 650 H PHE 87 H PHE 87 0.909 -2.148 0.050 651 HA PHE 87 HA PHE 87 3.752 -1.677 -0.396 652 1HB PHE 87 2HB PHE 87 2.857 0.060 -2.061 653 2HB PHE 87 1HB PHE 87 3.155 -1.612 -2.476 654 HD1 PHE 87 HD2 PHE 87 1.373 -3.101 -2.866 655 HD2 PHE 87 HD1 PHE 87 0.655 0.971 -1.967 656 HE1 PHE 87 HE2 PHE 87 -0.853 -3.339 -3.723 657 HE2 PHE 87 HE1 PHE 87 -1.590 0.790 -2.823 658 HZ PHE 87 HZ PHE 87 -2.422 -1.385 -3.733 659 H TYR 88 H TYR 88 4.566 -0.140 0.965 660 HA TYR 88 HA TYR 88 2.798 2.082 1.759 661 1HB TYR 88 2HB TYR 88 3.982 2.217 3.862 662 2HB TYR 88 1HB TYR 88 3.400 0.585 3.560 663 HD1 TYR 88 HD1 TYR 88 5.015 -1.199 2.786 664 HD2 TYR 88 HD2 TYR 88 6.267 2.690 3.943 665 HE1 TYR 88 HE1 TYR 88 7.306 -1.992 2.950 666 HE2 TYR 88 HE2 TYR 88 8.556 1.914 4.112 667 HH TYR 88 HH TYR 88 9.925 0.318 3.557 668 H CYS 89 H CYS 89 3.384 4.112 1.320 669 HA CYS 89 HA CYS 89 5.437 4.973 -0.463 670 1HB CYS 89 2HB CYS 89 3.920 6.448 1.627 671 2HB CYS 89 1HB CYS 89 5.050 7.307 0.640 672 H GLU 90 H GLU 90 5.473 4.841 2.860 673 HA GLU 90 HA GLU 90 7.330 4.558 4.363 674 1HB GLU 90 2HB GLU 90 8.601 4.127 2.174 675 2HB GLU 90 1HB GLU 90 9.123 5.779 2.179 676 1HG GLU 90 2HG GLU 90 10.466 5.518 4.147 677 2HG GLU 90 1HG GLU 90 9.680 4.007 4.580 678 HA PRO 91 HA PRO 91 7.098 9.054 5.437 679 1HB PRO 91 2HB PRO 91 8.043 11.049 4.042 680 2HB PRO 91 1HB PRO 91 9.120 9.674 4.376 681 1HG PRO 91 2HG PRO 91 7.543 10.278 1.824 682 2HG PRO 91 1HG PRO 91 9.218 9.733 1.970 683 1HD PRO 91 2HD PRO 91 6.885 8.045 1.639 684 2HD PRO 91 1HD PRO 91 8.563 7.540 1.951 685 H HIS 92 HN HIP 92 4.667 8.252 4.706 686 HA HIS 92 HA HIP 92 3.225 10.743 4.261 687 1HB HIS 92 2HB HIP 92 3.442 8.529 2.259 688 2HB HIS 92 1HB HIP 92 1.837 9.238 2.348 689 HD2 HIS 92 HD2 HIP 92 3.832 12.284 2.642 690 HE1 HIS 92 HE1 HIP 92 3.803 11.451 -1.431 691 HE2 HIS 92 HE2 HIP 92 4.242 13.118 0.285 692 H ARG 93 H ARG 93 0.713 10.427 3.840 693 HA ARG 93 HA ARG 93 -1.331 10.165 5.105 694 1HB ARG 93 2HB ARG 93 -1.033 7.867 3.994 695 2HB ARG 93 1HB ARG 93 -0.418 7.313 5.545 696 1HG ARG 93 2HG ARG 93 -2.718 8.560 6.391 697 2HG ARG 93 1HG ARG 93 -3.159 8.351 4.719 698 1HD ARG 93 2HD ARG 93 -4.040 6.484 5.969 699 2HD ARG 93 1HD ARG 93 -2.729 5.878 4.954 700 HE ARG 93 HE ARG 93 -1.231 5.916 6.995 701 1HH1 ARG 93 1HH2 ARG 93 -1.856 7.690 8.587 702 2HH1 ARG 93 2HH2 ARG 93 -2.809 7.045 9.887 703 1HH2 ARG 93 2HH1 ARG 93 -3.592 4.407 7.730 704 2HH2 ARG 93 1HH1 ARG 93 -3.900 4.991 9.332 705 H GLY 94 H GLY 94 0.824 11.196 6.527 706 1HA GLY 94 2HA GLY 94 0.956 11.953 8.866 707 2HA GLY 94 1HA GLY 94 0.173 10.452 9.375 708 H ALA 95 H ALA 95 1.501 8.733 8.017 709 HA ALA 95 HA ALA 95 4.280 8.558 9.117 710 1HB ALA 95 3HB ALA 95 2.123 6.565 8.803 711 2HB ALA 95 2HB ALA 95 3.762 6.248 9.407 712 3HB ALA 95 1HB ALA 95 2.686 7.355 10.268 713 H GLY 96 H GLY 96 3.106 6.334 7.338 714 1HA GLY 96 2HA GLY 96 4.969 6.618 4.947 715 2HA GLY 96 1HA GLY 96 4.730 5.099 5.693 716 H MET 97 H MET 97 1.878 6.911 4.877 717 HA MET 97 HA MET 97 -0.001 6.075 3.560 718 1HB MET 97 2HB MET 97 2.171 7.127 1.947 719 2HB MET 97 1HB MET 97 1.219 6.036 1.012 720 1HG MET 97 2HG MET 97 -0.806 7.237 1.582 721 2HG MET 97 1HG MET 97 0.070 8.409 2.502 722 1HE MET 97 2HE MET 97 -1.657 7.544 -0.195 723 2HE MET 97 1HE MET 97 -1.371 8.790 -1.349 724 3HE MET 97 3HE MET 97 -0.486 7.265 -1.483 725 H VAL 98 H VAL 98 -0.578 4.080 3.969 726 HA VAL 98 HA VAL 98 0.744 1.797 2.653 727 HB VAL 98 HB VAL 98 -0.370 0.540 4.515 728 1HG1 VAL 98 2HG1 VAL 98 1.913 1.599 4.835 729 2HG1 VAL 98 1HG1 VAL 98 1.157 3.073 5.384 730 3HG1 VAL 98 3HG1 VAL 98 1.009 1.612 6.335 731 1HG2 VAL 98 3HG2 VAL 98 -2.352 2.099 4.842 732 2HG2 VAL 98 2HG2 VAL 98 -1.469 1.847 6.335 733 3HG2 VAL 98 1HG2 VAL 98 -1.274 3.341 5.450 734 H GLY 99 H GLY 99 -0.041 0.874 0.867 735 1HA GLY 99 2HA GLY 99 -3.023 0.581 0.542 736 2HA GLY 99 1HA GLY 99 -1.963 0.961 -0.811 737 H LYS 100 H LYS 100 -3.479 -1.391 -1.006 738 HA LYS 100 HA LYS 100 -1.336 -3.447 -0.810 739 1HB LYS 100 2HB LYS 100 -2.503 -3.463 1.277 740 2HB LYS 100 1HB LYS 100 -4.053 -3.588 0.484 741 1HG LYS 100 2HG LYS 100 -3.020 -5.939 -0.435 742 2HG LYS 100 1HG LYS 100 -1.826 -5.654 0.806 743 1HD LYS 100 2HD LYS 100 -3.544 -6.984 1.880 744 2HD LYS 100 1HD LYS 100 -3.712 -5.365 2.495 745 1HE LYS 100 2HE LYS 100 -5.907 -6.130 2.000 746 2HE LYS 100 1HE LYS 100 -5.538 -5.006 0.699 747 1HZ LYS 100 3HZ LYS 100 -4.559 -7.642 0.129 748 2HZ LYS 100 2HZ LYS 100 -6.055 -7.789 0.579 749 3HZ LYS 100 1HZ LYS 100 -5.732 -6.891 -0.817 750 H ILE 101 H ILE 101 -1.381 -5.217 -2.017 751 HA ILE 101 HA ILE 101 -3.324 -5.357 -4.304 752 HB ILE 101 HB ILE 101 -0.499 -5.222 -4.507 753 1HG1 ILE 101 2HG1 ILE 101 -2.629 -6.459 -6.335 754 2HG1 ILE 101 1HG1 ILE 101 -2.053 -4.806 -6.346 755 1HG2 ILE 101 1HG2 ILE 101 -0.356 -7.634 -3.614 756 2HG2 ILE 101 3HG2 ILE 101 -1.297 -8.140 -4.990 757 3HG2 ILE 101 2HG2 ILE 101 0.298 -7.469 -5.228 758 1HD1 ILE 101 1HD1 ILE 101 0.219 -5.614 -7.153 759 2HD1 ILE 101 3HD1 ILE 101 -0.382 -7.256 -7.174 760 3HD1 ILE 101 2HD1 ILE 101 -1.051 -6.081 -8.258 761 H THR 102 H THR 102 -4.411 -7.152 -4.500 762 HA THR 102 HA THR 102 -4.141 -9.500 -2.650 763 HB THR 102 HB THR 102 -6.653 -8.468 -4.057 764 HG1 THR 102 HG1 THR 102 -6.045 -8.786 -1.361 765 1HG2 THR 102 2HG2 THR 102 -6.204 -10.594 -1.879 766 2HG2 THR 102 1HG2 THR 102 -7.751 -10.120 -2.540 767 3HG2 THR 102 3HG2 THR 102 -6.599 -10.990 -3.534 768 H VAL 103 H VAL 103 -2.919 -10.935 -4.026 769 HA VAL 103 HA VAL 103 -3.760 -11.123 -6.914 770 HB VAL 103 HB VAL 103 -1.435 -12.622 -5.594 771 1HG1 VAL 103 1HG1 VAL 103 -2.089 -13.312 -7.876 772 2HG1 VAL 103 3HG1 VAL 103 -1.864 -11.647 -8.381 773 3HG1 VAL 103 2HG1 VAL 103 -0.501 -12.579 -7.808 774 1HG2 VAL 103 2HG2 VAL 103 -1.336 -9.818 -6.594 775 2HG2 VAL 103 1HG2 VAL 103 -1.051 -10.371 -4.965 776 3HG2 VAL 103 3HG2 VAL 103 0.049 -10.835 -6.248 777 H ALA 104 H ALA 104 -5.300 -12.517 -7.383 778 HA ALA 104 HA ALA 104 -5.611 -14.980 -5.661 779 1HB ALA 104 1HB ALA 104 -7.770 -13.249 -6.916 780 2HB ALA 104 3HB ALA 104 -8.069 -14.731 -6.018 781 3HB ALA 104 2HB ALA 104 -7.363 -13.340 -5.203 782 H GLY 105 HN GLY 105 -6.950 -14.086 -8.771 783 1HA GLY 105 2HA GLY 105 -6.141 -16.655 -10.027 784 2HA GLY 105 1HA GLY 105 -7.825 -16.127 -10.112 No H/Q in entry = 784 Start of MODEL 19 1 1H GLU 1 2H GLU 1 -4.833 -5.392 -14.303 2 2H GLU 1 1H GLU 1 -6.087 -5.927 -15.321 3 3H GLU 1 3H GLU 1 -4.719 -6.860 -15.071 4 HA GLU 1 HA GLU 1 -3.524 -5.908 -16.620 5 1HB GLU 1 2HB GLU 1 -6.157 -4.393 -17.187 6 2HB GLU 1 1HB GLU 1 -4.838 -4.518 -18.317 7 1HG GLU 1 2HG GLU 1 -6.634 -6.207 -18.864 8 2HG GLU 1 1HG GLU 1 -5.153 -7.028 -18.457 9 H THR 2 H THR 2 -2.974 -3.468 -17.561 10 HA THR 2 HA THR 2 -1.675 -1.980 -15.606 11 HB THR 2 HB THR 2 -1.677 -0.131 -17.454 12 HG1 THR 2 HG1 THR 2 -3.508 -0.447 -18.481 13 1HG2 THR 2 1HG2 THR 2 -1.358 -2.938 -18.628 14 2HG2 THR 2 3HG2 THR 2 -0.644 -1.448 -19.200 15 3HG2 THR 2 2HG2 THR 2 -0.082 -2.154 -17.694 16 H TYR 3 H TYR 3 -3.400 -2.004 -14.038 17 HA TYR 3 HA TYR 3 -5.382 0.189 -14.202 18 1HB TYR 3 2HB TYR 3 -4.617 -1.551 -11.786 19 2HB TYR 3 1HB TYR 3 -6.085 -0.613 -11.943 20 HD1 TYR 3 HD1 TYR 3 -6.844 -1.303 -14.776 21 HD2 TYR 3 HD2 TYR 3 -5.479 -3.789 -11.594 22 HE1 TYR 3 HE1 TYR 3 -8.017 -3.221 -15.762 23 HE2 TYR 3 HE2 TYR 3 -6.654 -5.683 -12.601 24 HH TYR 3 HH TYR 3 -8.246 -5.475 -15.728 25 H THR 4 H THR 4 -4.575 2.156 -14.155 26 HA THR 4 HA THR 4 -2.173 3.015 -12.804 27 HB THR 4 HB THR 4 -2.987 5.319 -13.584 28 HG1 THR 4 HG1 THR 4 -5.114 4.861 -13.251 29 1HG2 THR 4 1HG2 THR 4 -1.942 3.664 -15.337 30 2HG2 THR 4 3HG2 THR 4 -3.586 3.137 -15.651 31 3HG2 THR 4 2HG2 THR 4 -3.131 4.802 -15.955 32 H VAL 5 H VAL 5 -2.682 2.227 -10.715 33 HA VAL 5 HA VAL 5 -4.662 3.261 -8.962 34 HB VAL 5 HB VAL 5 -1.778 2.452 -8.363 35 1HG1 VAL 5 2HG1 VAL 5 -4.197 2.616 -6.484 36 2HG1 VAL 5 1HG1 VAL 5 -2.634 1.939 -6.054 37 3HG1 VAL 5 3HG1 VAL 5 -2.789 3.644 -6.433 38 1HG2 VAL 5 2HG2 VAL 5 -4.351 0.792 -8.332 39 2HG2 VAL 5 1HG2 VAL 5 -3.041 0.645 -9.481 40 3HG2 VAL 5 3HG2 VAL 5 -2.776 0.220 -7.802 41 H LYS 6 H LYS 6 -4.905 5.043 -7.799 42 HA LYS 6 HA LYS 6 -2.922 7.262 -8.117 43 1HB LYS 6 2HB LYS 6 -4.772 8.740 -8.445 44 2HB LYS 6 1HB LYS 6 -5.139 7.329 -9.385 45 1HG LYS 6 2HG LYS 6 -7.234 7.644 -8.469 46 2HG LYS 6 1HG LYS 6 -6.535 6.591 -7.258 47 1HD LYS 6 2HD LYS 6 -6.357 8.273 -5.661 48 2HD LYS 6 1HD LYS 6 -5.937 9.499 -6.839 49 1HE LYS 6 2HE LYS 6 -8.319 9.736 -7.437 50 2HE LYS 6 1HE LYS 6 -8.726 8.417 -6.340 51 1HZ LYS 6 1HZ LYS 6 -7.069 10.074 -4.901 52 2HZ LYS 6 3HZ LYS 6 -8.257 11.158 -5.532 53 3HZ LYS 6 2HZ LYS 6 -8.641 9.800 -4.651 54 H LEU 7 H LEU 7 -1.855 7.238 -6.445 55 HA LEU 7 HA LEU 7 -2.651 6.450 -3.774 56 1HB LEU 7 2HB LEU 7 -0.260 6.416 -3.551 57 2HB LEU 7 1HB LEU 7 -0.593 5.986 -5.202 58 HG LEU 7 HG LEU 7 0.568 8.457 -4.102 59 1HD1 LEU 7 1HD1 LEU 7 2.011 6.620 -4.951 60 2HD1 LEU 7 3HD1 LEU 7 1.174 6.662 -6.494 61 3HD1 LEU 7 2HD1 LEU 7 2.174 8.010 -6.016 62 1HD2 LEU 7 1HD2 LEU 7 -0.695 8.388 -6.849 63 2HD2 LEU 7 3HD2 LEU 7 -1.177 9.408 -5.520 64 3HD2 LEU 7 2HD2 LEU 7 0.370 9.629 -6.263 65 H GLY 8 H GLY 8 -4.305 8.232 -4.043 66 1HA GLY 8 2HA GLY 8 -4.880 9.869 -2.161 67 2HA GLY 8 1HA GLY 8 -3.420 10.745 -2.604 68 H SER 9 H SER 9 -5.588 12.207 -2.535 69 HA SER 9 HA SER 9 -6.466 12.343 -5.421 70 1HB SER 9 2HB SER 9 -8.246 12.026 -3.410 71 2HB SER 9 1HB SER 9 -8.181 13.799 -3.460 72 HG SER 9 HG SER 9 -8.939 13.778 -5.488 73 H ASP 10 H ASP 10 -7.008 13.973 -6.383 74 HA ASP 10 HA ASP 10 -5.316 15.897 -7.032 75 1HB ASP 10 2HB ASP 10 -7.208 16.892 -8.208 76 2HB ASP 10 1HB ASP 10 -7.521 15.180 -8.096 77 H LYS 11 H LYS 11 -7.735 16.437 -4.653 78 HA LYS 11 HA LYS 11 -7.151 19.193 -4.000 79 1HB LYS 11 2HB LYS 11 -8.735 17.062 -2.620 80 2HB LYS 11 1HB LYS 11 -8.663 18.732 -2.076 81 1HG LYS 11 2HG LYS 11 -9.470 19.581 -4.144 82 2HG LYS 11 1HG LYS 11 -9.156 18.099 -4.997 83 1HD LYS 11 2HD LYS 11 -10.880 16.974 -3.497 84 2HD LYS 11 1HD LYS 11 -11.279 18.569 -2.881 85 1HE LYS 11 2HE LYS 11 -12.793 18.278 -4.668 86 2HE LYS 11 1HE LYS 11 -11.470 19.247 -5.354 87 1HZ LYS 11 2HZ LYS 11 -10.634 16.616 -5.645 88 2HZ LYS 11 1HZ LYS 11 -12.217 16.569 -6.206 89 3HZ LYS 11 3HZ LYS 11 -11.046 17.615 -6.824 90 H GLY 12 H GLY 12 -4.870 17.122 -3.582 91 1HA GLY 12 2HA GLY 12 -2.935 17.043 -2.091 92 2HA GLY 12 1HA GLY 12 -3.651 18.415 -1.232 93 H LEU 13 H LEU 13 -5.142 15.440 -1.924 94 HA LEU 13 HA LEU 13 -5.567 14.931 0.989 95 1HB LEU 13 2HB LEU 13 -7.075 13.982 -1.470 96 2HB LEU 13 1HB LEU 13 -7.504 13.493 0.155 97 HG LEU 13 HG LEU 13 -7.457 16.405 -0.759 98 1HD1 LEU 13 3HD1 LEU 13 -9.774 14.431 -0.319 99 2HD1 LEU 13 2HD1 LEU 13 -9.936 16.121 -0.744 100 3HD1 LEU 13 1HD1 LEU 13 -9.247 14.995 -1.896 101 1HD2 LEU 13 2HD2 LEU 13 -8.618 15.012 1.703 102 2HD2 LEU 13 1HD2 LEU 13 -7.185 16.034 1.701 103 3HD2 LEU 13 3HD2 LEU 13 -8.745 16.716 1.329 104 H LEU 14 H LEU 14 -4.134 13.610 1.850 105 HA LEU 14 HA LEU 14 -2.823 11.446 0.412 106 1HB LEU 14 2HB LEU 14 -2.924 12.265 3.352 107 2HB LEU 14 1HB LEU 14 -1.977 10.897 2.800 108 HG LEU 14 HG LEU 14 -1.651 13.711 1.652 109 1HD1 LEU 14 1HD1 LEU 14 0.005 12.285 3.785 110 2HD1 LEU 14 3HD1 LEU 14 0.369 13.826 3.035 111 3HD1 LEU 14 2HD1 LEU 14 -1.048 13.662 4.045 112 1HD2 LEU 14 3HD2 LEU 14 0.109 11.189 1.552 113 2HD2 LEU 14 2HD2 LEU 14 -0.825 11.794 0.206 114 3HD2 LEU 14 1HD2 LEU 14 0.496 12.734 0.826 115 H VAL 15 H VAL 15 -4.670 10.543 -0.347 116 HA VAL 15 HA VAL 15 -6.021 8.414 1.301 117 HB VAL 15 HB VAL 15 -6.900 9.446 -1.416 118 1HG1 VAL 15 3HG1 VAL 15 -8.488 8.100 0.806 119 2HG1 VAL 15 2HG1 VAL 15 -9.122 8.697 -0.717 120 3HG1 VAL 15 1HG1 VAL 15 -8.021 7.365 -0.725 121 1HG2 VAL 15 1HG2 VAL 15 -7.793 10.554 1.275 122 2HG2 VAL 15 3HG2 VAL 15 -6.862 11.410 0.057 123 3HG2 VAL 15 2HG2 VAL 15 -8.510 10.925 -0.282 124 H PHE 16 H PHE 16 -6.541 6.453 -0.410 125 HA PHE 16 HA PHE 16 -4.313 6.041 -2.321 126 1HB PHE 16 2HB PHE 16 -3.905 5.149 0.219 127 2HB PHE 16 1HB PHE 16 -4.836 3.774 -0.348 128 HD1 PHE 16 HD2 PHE 16 -3.475 4.402 -3.364 129 HD2 PHE 16 HD1 PHE 16 -2.116 3.491 0.565 130 HE1 PHE 16 HE2 PHE 16 -1.396 3.493 -4.291 131 HE2 PHE 16 HE1 PHE 16 -0.037 2.578 -0.369 132 HZ PHE 16 HZ PHE 16 0.331 2.580 -2.784 133 H GLU 17 H GLU 17 -5.735 5.897 -4.085 134 HA GLU 17 HA GLU 17 -7.927 3.904 -3.878 135 1HB GLU 17 2HB GLU 17 -7.679 6.394 -5.530 136 2HB GLU 17 1HB GLU 17 -9.075 5.344 -5.515 137 1HG GLU 17 2HG GLU 17 -9.777 6.127 -3.411 138 2HG GLU 17 1HG GLU 17 -8.176 6.189 -2.725 139 HA PRO 18 HA PRO 18 -8.805 2.303 -4.465 140 1HB PRO 18 2HB PRO 18 -9.355 0.002 -5.549 141 2HB PRO 18 1HB PRO 18 -9.562 1.476 -6.517 142 1HG PRO 18 2HG PRO 18 -7.254 -0.521 -6.542 143 2HG PRO 18 1HG PRO 18 -8.069 0.197 -7.930 144 1HD PRO 18 2HD PRO 18 -5.677 1.172 -6.673 145 2HD PRO 18 1HD PRO 18 -6.646 2.083 -7.856 146 H ALA 19 H ALA 19 -7.308 2.329 -2.585 147 HA ALA 19 HA ALA 19 -5.441 1.042 -1.429 148 1HB ALA 19 1HB ALA 19 -8.284 0.993 -0.328 149 2HB ALA 19 3HB ALA 19 -6.836 0.797 0.652 150 3HB ALA 19 2HB ALA 19 -7.129 2.304 -0.192 151 H LYS 20 H LYS 20 -8.250 -0.907 -1.957 152 HA LYS 20 HA LYS 20 -6.781 -3.458 -1.421 153 1HB LYS 20 2HB LYS 20 -9.530 -2.392 -0.858 154 2HB LYS 20 1HB LYS 20 -9.542 -4.017 -1.479 155 1HG LYS 20 2HG LYS 20 -7.613 -3.300 0.752 156 2HG LYS 20 1HG LYS 20 -9.314 -3.590 1.123 157 1HD LYS 20 2HD LYS 20 -9.225 -5.878 0.156 158 2HD LYS 20 1HD LYS 20 -7.739 -5.537 -0.666 159 1HE LYS 20 2HE LYS 20 -7.491 -7.055 1.260 160 2HE LYS 20 1HE LYS 20 -6.432 -5.635 1.267 161 1HZ LYS 20 1HZ LYS 20 -8.882 -4.999 2.501 162 2HZ LYS 20 3HZ LYS 20 -8.311 -6.452 3.190 163 3HZ LYS 20 2HZ LYS 20 -7.345 -5.061 3.234 164 H LEU 21 H LEU 21 -5.889 -3.762 -3.480 165 HA LEU 21 HA LEU 21 -7.769 -3.881 -5.793 166 1HB LEU 21 2HB LEU 21 -5.702 -2.355 -5.738 167 2HB LEU 21 1HB LEU 21 -4.777 -3.799 -5.982 168 HG LEU 21 HG LEU 21 -6.629 -2.388 -7.923 169 1HD1 LEU 21 3HD1 LEU 21 -4.069 -3.977 -8.204 170 2HD1 LEU 21 2HD1 LEU 21 -4.851 -3.136 -9.522 171 3HD1 LEU 21 1HD1 LEU 21 -4.189 -2.236 -8.166 172 1HD2 LEU 21 2HD2 LEU 21 -6.200 -5.412 -8.222 173 2HD2 LEU 21 1HD2 LEU 21 -7.745 -4.663 -7.943 174 3HD2 LEU 21 3HD2 LEU 21 -6.886 -4.379 -9.427 175 H THR 22 H THR 22 -8.554 -5.979 -5.855 176 HA THR 22 HA THR 22 -6.589 -8.222 -5.913 177 HB THR 22 HB THR 22 -9.635 -8.229 -6.517 178 HG1 THR 22 HG1 THR 22 -8.000 -8.536 -4.275 179 1HG2 THR 22 1HG2 THR 22 -7.698 -10.577 -6.050 180 2HG2 THR 22 3HG2 THR 22 -9.408 -10.686 -6.370 181 3HG2 THR 22 2HG2 THR 22 -8.312 -10.158 -7.634 182 H ILE 23 H ILE 23 -5.417 -8.318 -7.550 183 HA ILE 23 HA ILE 23 -6.194 -7.362 -10.207 184 HB ILE 23 HB ILE 23 -3.637 -7.613 -10.645 185 1HG1 ILE 23 2HG1 ILE 23 -3.209 -8.138 -7.762 186 2HG1 ILE 23 1HG1 ILE 23 -3.790 -9.483 -8.705 187 1HG2 ILE 23 1HG2 ILE 23 -4.622 -5.544 -9.774 188 2HG2 ILE 23 3HG2 ILE 23 -4.335 -6.137 -8.136 189 3HG2 ILE 23 2HG2 ILE 23 -2.991 -5.842 -9.223 190 1HD1 ILE 23 2HD1 ILE 23 -1.409 -7.775 -9.564 191 2HD1 ILE 23 1HD1 ILE 23 -1.273 -9.326 -8.776 192 3HD1 ILE 23 3HD1 ILE 23 -2.004 -9.210 -10.348 193 H LYS 24 H LYS 24 -4.316 -9.018 -11.569 194 HA LYS 24 HA LYS 24 -5.930 -11.473 -11.531 195 1HB LYS 24 2HB LYS 24 -4.518 -9.873 -13.654 196 2HB LYS 24 1HB LYS 24 -4.521 -11.582 -13.953 197 1HG LYS 24 2HG LYS 24 -6.472 -10.347 -14.980 198 2HG LYS 24 1HG LYS 24 -6.937 -11.691 -13.966 199 1HD LYS 24 2HD LYS 24 -7.658 -10.274 -12.131 200 2HD LYS 24 1HD LYS 24 -6.747 -8.902 -12.718 201 1HE LYS 24 2HE LYS 24 -9.167 -10.044 -14.149 202 2HE LYS 24 1HE LYS 24 -9.191 -8.642 -13.065 203 1HZ LYS 24 3HZ LYS 24 -6.954 -8.429 -14.752 204 2HZ LYS 24 2HZ LYS 24 -8.196 -8.644 -15.798 205 3HZ LYS 24 1HZ LYS 24 -8.211 -7.391 -14.755 206 HA PRO 25 HA PRO 25 -2.088 -14.322 -11.371 207 1HB PRO 25 2HB PRO 25 -1.794 -14.670 -14.188 208 2HB PRO 25 1HB PRO 25 -2.589 -15.747 -13.052 209 1HG PRO 25 2HG PRO 25 -3.891 -13.535 -14.708 210 2HG PRO 25 1HG PRO 25 -4.438 -15.194 -14.409 211 1HD PRO 25 2HD PRO 25 -5.603 -13.355 -12.932 212 2HD PRO 25 1HD PRO 25 -4.939 -14.772 -12.106 213 H GLY 26 H GLY 26 -1.260 -12.019 -10.647 214 1HA GLY 26 2HA GLY 26 0.968 -11.044 -10.641 215 2HA GLY 26 1HA GLY 26 1.163 -11.471 -12.339 216 H ASP 27 H ASP 27 -0.748 -10.533 -13.543 217 HA ASP 27 HA ASP 27 -1.569 -8.673 -14.691 218 1HB ASP 27 2HB ASP 27 -2.731 -8.883 -12.345 219 2HB ASP 27 1HB ASP 27 -1.843 -7.434 -11.923 220 H THR 28 H THR 28 -1.355 -6.363 -15.085 221 HA THR 28 HA THR 28 1.422 -5.394 -14.882 222 HB THR 28 HB THR 28 -0.522 -4.829 -17.101 223 HG1 THR 28 HG1 THR 28 1.629 -6.574 -16.421 224 1HG2 THR 28 2HG2 THR 28 1.635 -3.289 -16.868 225 2HG2 THR 28 1HG2 THR 28 2.549 -4.777 -16.930 226 3HG2 THR 28 3HG2 THR 28 1.561 -4.300 -18.297 227 H VAL 29 H VAL 29 -0.661 -4.677 -13.162 228 HA VAL 29 HA VAL 29 -1.756 -2.111 -13.404 229 HB VAL 29 HB VAL 29 -1.664 -2.113 -10.817 230 1HG1 VAL 29 2HG1 VAL 29 -3.445 -3.385 -12.066 231 2HG1 VAL 29 1HG1 VAL 29 -2.414 -4.797 -12.061 232 3HG1 VAL 29 3HG1 VAL 29 -3.014 -4.153 -10.550 233 1HG2 VAL 29 1HG2 VAL 29 0.568 -3.255 -10.735 234 2HG2 VAL 29 3HG2 VAL 29 -0.624 -4.057 -9.723 235 3HG2 VAL 29 2HG2 VAL 29 -0.159 -4.745 -11.265 236 H GLU 30 H GLU 30 -1.455 -0.151 -12.713 237 HA GLU 30 HA GLU 30 1.311 0.808 -12.790 238 1HB GLU 30 2HB GLU 30 -1.250 1.654 -14.036 239 2HB GLU 30 1HB GLU 30 -0.074 2.910 -13.698 240 1HG GLU 30 2HG GLU 30 0.770 0.338 -15.136 241 2HG GLU 30 1HG GLU 30 0.055 1.663 -16.027 242 H PHE 31 H PHE 31 2.094 2.288 -11.562 243 HA PHE 31 HA PHE 31 0.588 3.322 -9.172 244 1HB PHE 31 2HB PHE 31 3.418 2.436 -9.627 245 2HB PHE 31 1HB PHE 31 3.094 3.596 -8.359 246 HD1 PHE 31 HD2 PHE 31 0.289 1.321 -8.655 247 HD2 PHE 31 HD1 PHE 31 4.240 1.686 -7.115 248 HE1 PHE 31 HE2 PHE 31 -0.159 -0.484 -7.068 249 HE2 PHE 31 HE1 PHE 31 3.786 -0.128 -5.523 250 HZ PHE 31 HZ PHE 31 1.581 -1.216 -5.495 251 H LEU 32 H LEU 32 -0.084 5.460 -9.901 252 HA LEU 32 HA LEU 32 1.991 7.091 -11.198 253 1HB LEU 32 2HB LEU 32 -0.155 6.472 -12.354 254 2HB LEU 32 1HB LEU 32 -1.018 7.470 -11.207 255 HG LEU 32 HG LEU 32 1.249 8.571 -12.950 256 1HD1 LEU 32 3HD1 LEU 32 -1.760 8.487 -13.505 257 2HD1 LEU 32 2HD1 LEU 32 -0.558 9.309 -14.490 258 3HD1 LEU 32 1HD1 LEU 32 -0.540 7.560 -14.362 259 1HD2 LEU 32 3HD2 LEU 32 -1.190 9.873 -11.677 260 2HD2 LEU 32 2HD2 LEU 32 0.446 9.994 -11.038 261 3HD2 LEU 32 1HD2 LEU 32 0.064 10.690 -12.591 262 H ASN 33 H ASN 33 2.884 8.716 -10.226 263 HA ASN 33 HA ASN 33 2.048 9.630 -7.525 264 1HB ASN 33 2HB ASN 33 4.476 9.299 -8.296 265 2HB ASN 33 1HB ASN 33 4.262 10.598 -9.444 266 1HD2 ASN 33 2HD2 ASN 33 5.501 12.780 -7.053 267 2HD2 ASN 33 1HD2 ASN 33 5.453 12.335 -8.688 268 H ASN 34 H ASN 34 -0.088 10.176 -8.382 269 HA ASN 34 HA ASN 34 -0.403 12.315 -10.323 270 1HB ASN 34 2HB ASN 34 -2.778 11.944 -10.047 271 2HB ASN 34 1HB ASN 34 -1.997 10.390 -9.821 272 1HD2 ASN 34 2HD2 ASN 34 -4.378 11.231 -6.990 273 2HD2 ASN 34 1HD2 ASN 34 -4.600 11.676 -8.630 274 H LYS 35 H LYS 35 -1.681 12.792 -6.962 275 HA LYS 35 HA LYS 35 -0.771 15.601 -7.331 276 1HB LYS 35 2HB LYS 35 -3.573 14.559 -7.174 277 2HB LYS 35 1HB LYS 35 -3.333 16.073 -6.364 278 1HG LYS 35 2HG LYS 35 -2.038 16.173 -9.036 279 2HG LYS 35 1HG LYS 35 -3.647 15.530 -9.207 280 1HD LYS 35 2HD LYS 35 -3.619 18.016 -9.405 281 2HD LYS 35 1HD LYS 35 -4.667 17.488 -8.121 282 1HE LYS 35 2HE LYS 35 -2.256 17.835 -6.746 283 2HE LYS 35 1HE LYS 35 -2.093 19.006 -8.038 284 1HZ LYS 35 1HZ LYS 35 -4.751 19.124 -7.068 285 2HZ LYS 35 3HZ LYS 35 -3.799 19.095 -5.755 286 3HZ LYS 35 2HZ LYS 35 -3.579 20.351 -6.886 287 H VAL 36 H VAL 36 -0.300 13.566 -5.266 288 HA VAL 36 HA VAL 36 -0.194 15.593 -3.024 289 HB VAL 36 HB VAL 36 -0.918 12.707 -2.373 290 1HG1 VAL 36 3HG1 VAL 36 -1.438 15.393 -1.025 291 2HG1 VAL 36 2HG1 VAL 36 -1.898 13.823 -0.399 292 3HG1 VAL 36 1HG1 VAL 36 -0.199 14.245 -0.564 293 1HG2 VAL 36 2HG2 VAL 36 -2.909 14.951 -2.979 294 2HG2 VAL 36 1HG2 VAL 36 -2.707 13.510 -3.956 295 3HG2 VAL 36 3HG2 VAL 36 -3.309 13.377 -2.322 296 HA PRO 37 HA PRO 37 3.765 13.219 -3.859 297 1HB PRO 37 2HB PRO 37 5.445 15.308 -4.430 298 2HB PRO 37 1HB PRO 37 4.305 14.688 -5.623 299 1HG PRO 37 2HG PRO 37 3.812 16.968 -3.603 300 2HG PRO 37 1HG PRO 37 3.741 17.095 -5.365 301 1HD PRO 37 2HD PRO 37 1.465 16.635 -4.018 302 2HD PRO 37 1HD PRO 37 1.779 15.645 -5.466 303 HA PRO 38 HA PRO 38 5.974 13.096 -3.994 304 1HB PRO 38 2HB PRO 38 8.375 12.485 -3.142 305 2HB PRO 38 1HB PRO 38 7.935 14.187 -3.322 306 1HG PRO 38 2HG PRO 38 7.989 12.501 -0.753 307 2HG PRO 38 1HG PRO 38 8.628 14.125 -0.974 308 1HD PRO 38 2HD PRO 38 6.034 13.529 0.050 309 2HD PRO 38 1HD PRO 38 6.497 15.109 -0.604 310 H HIS 39 HN HIP 39 5.246 11.102 -4.496 311 HA HIS 39 HA HIP 39 4.814 9.166 -2.291 312 1HB HIS 39 2HB HIP 39 3.885 9.162 -5.145 313 2HB HIS 39 1HB HIP 39 3.526 7.898 -4.006 314 HD2 HIS 39 HD2 HIP 39 2.100 11.147 -5.219 315 HE1 HIS 39 HE1 HIP 39 0.224 10.377 -1.598 316 HE2 HIS 39 HE2 HIP 39 0.217 11.689 -3.609 317 H ASN 40 H ASN 40 6.988 8.380 -1.904 318 HA ASN 40 HA ASN 40 7.986 6.541 -4.067 319 1HB ASN 40 2HB ASN 40 9.877 7.792 -3.131 320 2HB ASN 40 1HB ASN 40 9.231 7.689 -1.499 321 1HD2 ASN 40 2HD2 ASN 40 11.208 4.852 -1.043 322 2HD2 ASN 40 1HD2 ASN 40 10.789 6.388 -0.458 323 H VAL 41 H VAL 41 7.477 4.373 -3.868 324 HA VAL 41 HA VAL 41 6.184 3.477 -1.317 325 HB VAL 41 HB VAL 41 5.269 1.606 -2.631 326 1HG1 VAL 41 2HG1 VAL 41 3.955 3.699 -2.403 327 2HG1 VAL 41 1HG1 VAL 41 4.731 4.366 -3.831 328 3HG1 VAL 41 3HG1 VAL 41 3.659 2.987 -3.979 329 1HG2 VAL 41 2HG2 VAL 41 7.019 1.518 -4.485 330 2HG2 VAL 41 1HG2 VAL 41 5.408 1.681 -5.144 331 3HG2 VAL 41 3HG2 VAL 41 6.461 3.071 -5.060 332 H VAL 42 H VAL 42 7.008 2.008 -0.132 333 HA VAL 42 HA VAL 42 9.558 0.706 -0.985 334 HB VAL 42 HB VAL 42 8.724 1.444 1.790 335 1HG1 VAL 42 1HG1 VAL 42 10.477 -0.342 1.632 336 2HG1 VAL 42 3HG1 VAL 42 11.433 0.702 0.590 337 3HG1 VAL 42 2HG1 VAL 42 11.129 1.156 2.257 338 1HG2 VAL 42 1HG2 VAL 42 10.564 2.905 -0.185 339 2HG2 VAL 42 3HG2 VAL 42 9.008 3.493 0.367 340 3HG2 VAL 42 2HG2 VAL 42 10.329 3.347 1.497 341 H PHE 43 H PHE 43 8.111 -1.045 -1.905 342 HA PHE 43 HA PHE 43 6.406 -2.749 -0.557 343 1HB PHE 43 2HB PHE 43 8.233 -2.939 -2.928 344 2HB PHE 43 1HB PHE 43 7.920 -4.496 -2.213 345 HD1 PHE 43 HD1 PHE 43 5.395 -4.987 -1.647 346 HD2 PHE 43 HD2 PHE 43 6.687 -2.130 -4.540 347 HE1 PHE 43 HE1 PHE 43 3.239 -5.148 -2.781 348 HE2 PHE 43 HE2 PHE 43 4.519 -2.300 -5.669 349 HZ PHE 43 HZ PHE 43 2.791 -3.799 -4.797 350 H ASP 44 H ASP 44 6.244 -4.318 0.802 351 HA ASP 44 HA ASP 44 8.804 -5.051 2.182 352 1HB ASP 44 2HB ASP 44 7.601 -4.873 4.204 353 2HB ASP 44 1HB ASP 44 6.707 -3.775 3.189 354 H ALA 45 H ALA 45 8.370 -6.853 3.724 355 HA ALA 45 HA ALA 45 8.125 -9.408 2.286 356 1HB ALA 45 1HB ALA 45 10.390 -8.841 2.904 357 2HB ALA 45 3HB ALA 45 9.939 -8.635 4.587 358 3HB ALA 45 2HB ALA 45 9.896 -10.231 3.848 359 H ALA 46 H ALA 46 7.366 -7.889 5.331 360 HA ALA 46 HA ALA 46 6.399 -10.046 6.889 361 1HB ALA 46 3HB ALA 46 5.449 -7.131 6.715 362 2HB ALA 46 2HB ALA 46 5.131 -8.181 8.089 363 3HB ALA 46 1HB ALA 46 6.775 -7.691 7.713 364 H LEU 47 H LEU 47 4.740 -8.079 4.562 365 HA LEU 47 HA LEU 47 2.381 -9.912 4.584 366 1HB LEU 47 2HB LEU 47 2.801 -7.131 3.453 367 2HB LEU 47 1HB LEU 47 1.264 -7.981 3.385 368 HG LEU 47 HG LEU 47 2.120 -8.093 6.142 369 1HD1 LEU 47 2HD1 LEU 47 3.735 -6.305 5.561 370 2HD1 LEU 47 1HD1 LEU 47 2.455 -5.290 4.975 371 3HD1 LEU 47 3HD1 LEU 47 2.515 -5.718 6.673 372 1HD2 LEU 47 1HD2 LEU 47 -0.241 -7.835 5.346 373 2HD2 LEU 47 3HD2 LEU 47 0.196 -6.657 6.568 374 3HD2 LEU 47 2HD2 LEU 47 0.104 -6.166 4.897 375 H ASN 48 H ASN 48 4.834 -10.684 3.266 376 HA ASN 48 HA ASN 48 3.977 -10.806 0.400 377 1HB ASN 48 2HB ASN 48 6.179 -9.907 0.615 378 2HB ASN 48 1HB ASN 48 6.554 -10.907 1.982 379 1HD2 ASN 48 2HD2 ASN 48 8.716 -12.088 -0.499 380 2HD2 ASN 48 1HD2 ASN 48 8.471 -10.688 0.430 381 HA PRO 49 HA PRO 49 2.637 -14.999 1.106 382 1HB PRO 49 2HB PRO 49 3.140 -16.180 -1.334 383 2HB PRO 49 1HB PRO 49 1.859 -14.991 -1.129 384 1HG PRO 49 2HG PRO 49 4.748 -14.438 -2.062 385 2HG PRO 49 1HG PRO 49 3.246 -14.007 -2.870 386 1HD PRO 49 2HD PRO 49 4.425 -12.174 -1.321 387 2HD PRO 49 1HD PRO 49 2.666 -12.380 -1.161 388 H ALA 50 H ALA 50 5.717 -14.766 -0.463 389 HA ALA 50 HA ALA 50 6.805 -17.040 1.164 390 1HB ALA 50 2HB ALA 50 6.735 -17.400 -1.266 391 2HB ALA 50 1HB ALA 50 7.653 -15.920 -1.533 392 3HB ALA 50 3HB ALA 50 8.407 -17.283 -0.725 393 H LYS 51 H LYS 51 6.767 -14.943 2.599 394 HA LYS 51 HA LYS 51 8.066 -12.849 3.225 395 1HB LYS 51 2HB LYS 51 8.316 -15.500 4.526 396 2HB LYS 51 1HB LYS 51 9.475 -14.314 5.085 397 1HG LYS 51 2HG LYS 51 7.499 -14.328 6.502 398 2HG LYS 51 1HG LYS 51 7.745 -12.776 5.724 399 1HD LYS 51 2HD LYS 51 6.020 -13.197 4.082 400 2HD LYS 51 1HD LYS 51 5.864 -14.889 4.548 401 1HE LYS 51 2HE LYS 51 4.908 -14.310 6.670 402 2HE LYS 51 1HE LYS 51 5.351 -12.614 6.478 403 1HZ LYS 51 2HZ LYS 51 3.942 -13.366 4.181 404 2HZ LYS 51 1HZ LYS 51 3.004 -13.893 5.486 405 3HZ LYS 51 3HZ LYS 51 3.507 -12.268 5.379 406 H SER 52 H SER 52 9.261 -12.854 1.067 407 HA SER 52 HA SER 52 12.212 -13.110 1.494 408 1HB SER 52 2HB SER 52 12.136 -12.799 -1.173 409 2HB SER 52 1HB SER 52 11.765 -14.359 -0.444 410 HG SER 52 HG SER 52 9.705 -14.005 -0.648 411 H ALA 53 H ALA 53 13.548 -11.640 0.341 412 HA ALA 53 HA ALA 53 12.720 -8.754 0.663 413 1HB ALA 53 1HB ALA 53 15.487 -10.110 0.735 414 2HB ALA 53 3HB ALA 53 15.206 -8.405 1.041 415 3HB ALA 53 2HB ALA 53 14.585 -9.612 2.158 416 H ASP 54 H ASP 54 14.500 -11.009 -1.046 417 HA ASP 54 HA ASP 54 15.642 -10.306 -3.289 418 1HB ASP 54 2HB ASP 54 13.483 -12.516 -3.268 419 2HB ASP 54 1HB ASP 54 15.037 -12.555 -4.058 420 H LEU 55 H LEU 55 12.216 -10.798 -3.290 421 HA LEU 55 HA LEU 55 11.756 -9.286 -5.793 422 1HB LEU 55 2HB LEU 55 10.575 -11.446 -5.120 423 2HB LEU 55 1HB LEU 55 9.761 -10.594 -3.839 424 HG LEU 55 HG LEU 55 8.303 -10.947 -5.801 425 1HD1 LEU 55 1HD1 LEU 55 7.959 -8.788 -4.538 426 2HD1 LEU 55 3HD1 LEU 55 9.068 -7.991 -5.649 427 3HD1 LEU 55 2HD1 LEU 55 7.566 -8.651 -6.245 428 1HD2 LEU 55 1HD2 LEU 55 10.071 -11.019 -7.483 429 2HD2 LEU 55 3HD2 LEU 55 8.809 -9.916 -7.959 430 3HD2 LEU 55 2HD2 LEU 55 10.335 -9.293 -7.352 431 H ALA 56 H ALA 56 10.504 -9.027 -2.495 432 HA ALA 56 HA ALA 56 9.171 -6.678 -2.314 433 1HB ALA 56 3HB ALA 56 9.784 -8.106 -0.361 434 2HB ALA 56 2HB ALA 56 11.437 -7.520 -0.449 435 3HB ALA 56 1HB ALA 56 10.135 -6.420 -0.029 436 H LYS 57 H LYS 57 12.719 -6.596 -2.264 437 HA LYS 57 HA LYS 57 12.676 -3.694 -2.463 438 1HB LYS 57 2HB LYS 57 14.723 -4.644 -1.412 439 2HB LYS 57 1HB LYS 57 14.935 -5.770 -2.726 440 1HG LYS 57 2HG LYS 57 16.636 -4.211 -3.172 441 2HG LYS 57 1HG LYS 57 15.422 -3.645 -4.261 442 1HD LYS 57 2HD LYS 57 16.153 -2.443 -1.537 443 2HD LYS 57 1HD LYS 57 16.578 -1.761 -3.077 444 1HE LYS 57 2HE LYS 57 13.788 -1.958 -1.959 445 2HE LYS 57 1HE LYS 57 14.767 -0.520 -1.919 446 1HZ LYS 57 1HZ LYS 57 14.638 -1.479 -4.642 447 2HZ LYS 57 3HZ LYS 57 13.132 -1.377 -4.017 448 3HZ LYS 57 2HZ LYS 57 14.027 0.000 -4.027 449 H SER 58 H SER 58 13.458 -6.204 -4.789 450 HA SER 58 HA SER 58 14.080 -4.707 -7.086 451 1HB SER 58 2HB SER 58 12.367 -7.232 -6.879 452 2HB SER 58 1HB SER 58 13.065 -6.605 -8.390 453 HG SER 58 HG SER 58 14.359 -7.833 -6.280 454 H LEU 59 H LEU 59 11.099 -5.243 -5.588 455 HA LEU 59 HA LEU 59 9.467 -3.769 -7.568 456 1HB LEU 59 2HB LEU 59 8.919 -5.943 -6.245 457 2HB LEU 59 1HB LEU 59 8.679 -4.929 -4.846 458 HG LEU 59 HG LEU 59 6.914 -3.660 -6.233 459 1HD1 LEU 59 2HD1 LEU 59 7.321 -6.049 -8.080 460 2HD1 LEU 59 1HD1 LEU 59 6.063 -4.840 -8.202 461 3HD1 LEU 59 3HD1 LEU 59 7.723 -4.390 -8.481 462 1HD2 LEU 59 1HD2 LEU 59 6.399 -5.534 -4.588 463 2HD2 LEU 59 3HD2 LEU 59 5.291 -5.503 -5.937 464 3HD2 LEU 59 2HD2 LEU 59 6.592 -6.683 -5.892 465 H SER 60 H SER 60 10.169 -3.255 -3.995 466 HA SER 60 HA SER 60 9.028 -0.664 -3.858 467 1HB SER 60 2HB SER 60 10.736 -0.330 -1.956 468 2HB SER 60 1HB SER 60 10.030 -1.972 -1.838 469 HG SER 60 HG SER 60 11.674 -2.463 -3.498 470 H HIS 61 H HIS 61 9.893 1.456 -4.009 471 HA HIS 61 HA HIS 61 12.015 1.695 -6.091 472 1HB HIS 61 2HB HIS 61 10.106 3.786 -4.904 473 2HB HIS 61 1HB HIS 61 11.086 4.011 -6.342 474 HD1 HIS 61 HD1 HIS 61 8.280 4.416 -6.626 475 HD2 HIS 61 HD2 HIS 61 9.750 0.653 -7.068 476 HE1 HIS 61 HE1 HIS 61 6.585 3.145 -7.958 477 H LYS 62 H LYS 62 11.555 4.277 -4.028 478 HA LYS 62 HA LYS 62 12.805 4.665 -1.826 479 1HB LYS 62 2HB LYS 62 15.241 4.907 -2.033 480 2HB LYS 62 1HB LYS 62 14.763 3.267 -2.352 481 1HG LYS 62 2HG LYS 62 14.863 3.935 -4.894 482 2HG LYS 62 1HG LYS 62 15.596 5.433 -4.360 483 1HD LYS 62 2HD LYS 62 17.409 4.087 -3.160 484 2HD LYS 62 1HD LYS 62 16.650 2.618 -3.721 485 1HE LYS 62 2HE LYS 62 18.488 3.005 -5.206 486 2HE LYS 62 1HE LYS 62 17.029 3.418 -6.104 487 1HZ LYS 62 1HZ LYS 62 17.797 5.721 -4.654 488 2HZ LYS 62 3HZ LYS 62 19.183 5.176 -5.432 489 3HZ LYS 62 2HZ LYS 62 17.774 5.577 -6.267 490 H GLN 63 H GLN 63 14.333 6.453 -1.634 491 HA GLN 63 HA GLN 63 14.458 8.640 -1.393 492 1HB GLN 63 2HB GLN 63 15.843 9.603 -3.191 493 2HB GLN 63 1HB GLN 63 16.273 7.935 -2.876 494 1HG GLN 63 2HG GLN 63 14.768 7.293 -4.936 495 2HG GLN 63 1HG GLN 63 14.584 8.986 -5.244 496 1HE2 GLN 63 2HE2 GLN 63 17.598 9.224 -6.908 497 2HE2 GLN 63 1HE2 GLN 63 16.141 9.977 -6.447 498 H LEU 64 H LEU 64 12.268 9.391 -1.068 499 HA LEU 64 HA LEU 64 10.277 10.571 -1.674 500 1HB LEU 64 2HB LEU 64 12.654 12.419 -1.746 501 2HB LEU 64 1HB LEU 64 11.029 13.039 -1.769 502 HG LEU 64 HG LEU 64 10.684 11.611 0.422 503 1HD1 LEU 64 1HD1 LEU 64 13.720 11.845 0.364 504 2HD1 LEU 64 3HD1 LEU 64 12.748 11.342 1.738 505 3HD1 LEU 64 2HD1 LEU 64 12.806 10.349 0.316 506 1HD2 LEU 64 2HD2 LEU 64 12.553 14.033 0.354 507 2HD2 LEU 64 1HD2 LEU 64 10.799 14.116 0.313 508 3HD2 LEU 64 3HD2 LEU 64 11.614 13.513 1.746 509 H LEU 65 H LEU 65 9.468 9.790 -3.603 510 HA LEU 65 HA LEU 65 10.077 10.652 -6.243 511 1HB LEU 65 2HB LEU 65 8.364 8.828 -5.195 512 2HB LEU 65 1HB LEU 65 7.199 10.098 -5.467 513 HG LEU 65 HG LEU 65 7.091 8.727 -7.395 514 1HD1 LEU 65 3HD1 LEU 65 7.247 11.163 -7.977 515 2HD1 LEU 65 2HD1 LEU 65 8.975 11.001 -8.175 516 3HD1 LEU 65 1HD1 LEU 65 7.891 10.142 -9.241 517 1HD2 LEU 65 2HD2 LEU 65 9.200 7.492 -6.995 518 2HD2 LEU 65 1HD2 LEU 65 9.113 8.046 -8.656 519 3HD2 LEU 65 3HD2 LEU 65 10.138 8.882 -7.507 520 H MET 66 H MET 66 10.542 12.915 -5.851 521 HA MET 66 HA MET 66 8.728 15.012 -5.263 522 1HB MET 66 2HB MET 66 11.188 15.031 -7.074 523 2HB MET 66 1HB MET 66 10.405 16.477 -6.490 524 1HG MET 66 2HG MET 66 10.883 15.747 -4.139 525 2HG MET 66 1HG MET 66 11.685 14.338 -4.763 526 1HE MET 66 2HE MET 66 11.698 18.245 -5.058 527 2HE MET 66 1HE MET 66 12.124 17.754 -3.397 528 3HE MET 66 3HE MET 66 13.309 18.529 -4.431 529 H SER 67 H SER 67 9.732 14.304 -8.566 530 HA SER 67 HA SER 67 8.014 16.053 -9.920 531 1HB SER 67 2HB SER 67 8.993 13.334 -10.898 532 2HB SER 67 1HB SER 67 8.543 14.695 -11.942 533 HG SER 67 HG SER 67 10.570 15.393 -11.574 534 HA PRO 68 HA PRO 68 4.099 13.750 -9.433 535 1HB PRO 68 2HB PRO 68 2.382 15.709 -10.170 536 2HB PRO 68 1HB PRO 68 3.180 15.736 -8.595 537 1HG PRO 68 2HG PRO 68 4.171 17.096 -11.180 538 2HG PRO 68 1HG PRO 68 3.806 17.891 -9.649 539 1HD PRO 68 2HD PRO 68 6.338 17.155 -10.158 540 2HD PRO 68 1HD PRO 68 5.704 16.825 -8.528 541 H GLY 69 H GLY 69 2.333 13.290 -10.979 542 1HA GLY 69 2HA GLY 69 1.484 12.846 -13.227 543 2HA GLY 69 1HA GLY 69 2.949 13.550 -13.901 544 H GLN 70 H GLN 70 4.823 12.276 -12.831 545 HA GLN 70 HA GLN 70 5.565 10.103 -14.238 546 1HB GLN 70 2HB GLN 70 6.101 10.182 -11.248 547 2HB GLN 70 1HB GLN 70 7.155 9.556 -12.499 548 1HG GLN 70 2HG GLN 70 6.473 12.489 -11.977 549 2HG GLN 70 1HG GLN 70 8.040 11.725 -11.895 550 1HE2 GLN 70 2HE2 GLN 70 7.006 13.464 -15.225 551 2HE2 GLN 70 1HE2 GLN 70 6.173 13.713 -13.748 552 H SER 71 H SER 71 4.480 8.365 -14.819 553 HA SER 71 HA SER 71 3.049 6.683 -12.768 554 1HB SER 71 2HB SER 71 1.808 7.659 -14.879 555 2HB SER 71 1HB SER 71 2.568 6.280 -15.700 556 HG SER 71 HG SER 71 1.631 4.882 -14.289 557 H THR 72 H THR 72 3.992 4.868 -12.233 558 HA THR 72 HA THR 72 5.923 3.546 -14.154 559 HB THR 72 HB THR 72 7.110 4.354 -12.273 560 HG1 THR 72 HG1 THR 72 7.266 1.849 -11.470 561 1HG2 THR 72 2HG2 THR 72 5.235 4.128 -10.515 562 2HG2 THR 72 1HG2 THR 72 5.414 2.385 -10.647 563 3HG2 THR 72 3HG2 THR 72 6.755 3.365 -10.060 564 H SER 73 H SER 73 5.764 1.372 -14.554 565 HA SER 73 HA SER 73 3.269 0.006 -13.719 566 1HB SER 73 2HB SER 73 3.599 -1.522 -15.471 567 2HB SER 73 1HB SER 73 4.435 -0.117 -16.108 568 HG SER 73 HG SER 73 6.256 -1.180 -14.653 569 H THR 74 H THR 74 3.083 -1.539 -12.278 570 HA THR 74 HA THR 74 5.543 -2.816 -11.040 571 HB THR 74 HB THR 74 4.514 -1.344 -9.270 572 HG1 THR 74 HG1 THR 74 3.743 -4.075 -9.151 573 1HG2 THR 74 2HG2 THR 74 2.046 -1.418 -10.150 574 2HG2 THR 74 1HG2 THR 74 2.021 -3.058 -9.489 575 3HG2 THR 74 3HG2 THR 74 2.320 -1.709 -8.439 576 H THR 75 H THR 75 4.984 -3.865 -13.075 577 HA THR 75 HA THR 75 2.726 -5.788 -13.032 578 HB THR 75 HB THR 75 3.562 -4.597 -15.150 579 HG1 THR 75 HG1 THR 75 3.871 -7.291 -15.689 580 1HG2 THR 75 3HG2 THR 75 5.683 -6.813 -15.048 581 2HG2 THR 75 2HG2 THR 75 5.390 -5.690 -16.366 582 3HG2 THR 75 1HG2 THR 75 6.041 -5.110 -14.845 583 H PHE 76 H PHE 76 2.810 -7.878 -12.821 584 HA PHE 76 HA PHE 76 5.336 -9.066 -11.667 585 1HB PHE 76 2HB PHE 76 2.483 -9.771 -11.136 586 2HB PHE 76 1HB PHE 76 3.842 -10.571 -10.378 587 HD1 PHE 76 HD1 PHE 76 2.015 -7.370 -10.690 588 HD2 PHE 76 HD2 PHE 76 5.013 -9.490 -8.555 589 HE1 PHE 76 HE1 PHE 76 2.028 -5.621 -9.005 590 HE2 PHE 76 HE2 PHE 76 5.032 -7.720 -6.847 591 HZ PHE 76 HZ PHE 76 3.534 -5.757 -7.080 592 HA PRO 77 HA PRO 77 4.973 -11.985 -15.166 593 1HB PRO 77 2HB PRO 77 7.565 -12.109 -15.782 594 2HB PRO 77 1HB PRO 77 6.547 -10.733 -16.284 595 1HG PRO 77 2HG PRO 77 8.379 -10.979 -13.794 596 2HG PRO 77 1HG PRO 77 8.425 -9.689 -14.998 597 1HD PRO 77 2HD PRO 77 7.036 -9.444 -12.656 598 2HD PRO 77 1HD PRO 77 6.430 -8.677 -14.137 599 H ALA 78 H ALA 78 6.736 -13.845 -15.552 600 HA ALA 78 HA ALA 78 6.429 -16.117 -14.433 601 1HB ALA 78 1HB ALA 78 8.391 -15.647 -15.868 602 2HB ALA 78 3HB ALA 78 9.216 -14.872 -14.521 603 3HB ALA 78 2HB ALA 78 8.900 -16.597 -14.483 604 H ASP 79 H ASP 79 8.261 -13.905 -12.383 605 HA ASP 79 HA ASP 79 8.096 -15.748 -10.083 606 1HB ASP 79 2HB ASP 79 10.206 -14.518 -10.851 607 2HB ASP 79 1HB ASP 79 9.424 -13.004 -10.425 608 H ALA 80 H ALA 80 5.747 -14.813 -11.091 609 HA ALA 80 HA ALA 80 4.574 -12.962 -9.044 610 1HB ALA 80 3HB ALA 80 4.295 -12.381 -11.412 611 2HB ALA 80 2HB ALA 80 3.535 -13.924 -11.730 612 3HB ALA 80 1HB ALA 80 2.720 -12.752 -10.718 613 HA PRO 81 HA PRO 81 2.554 -16.862 -7.529 614 1HB PRO 81 2HB PRO 81 3.204 -16.507 -4.857 615 2HB PRO 81 1HB PRO 81 4.270 -17.355 -5.990 616 1HG PRO 81 2HG PRO 81 4.369 -14.393 -5.174 617 2HG PRO 81 1HG PRO 81 5.694 -15.551 -5.163 618 1HD PRO 81 2HD PRO 81 5.358 -13.861 -7.218 619 2HD PRO 81 1HD PRO 81 5.917 -15.513 -7.551 620 H ALA 82 H ALA 82 0.887 -16.761 -5.557 621 HA ALA 82 HA ALA 82 -0.731 -14.285 -6.007 622 1HB ALA 82 2HB ALA 82 -1.696 -16.354 -6.852 623 2HB ALA 82 1HB ALA 82 -1.590 -17.103 -5.261 624 3HB ALA 82 3HB ALA 82 -2.681 -15.752 -5.535 625 H GLY 83 H GLY 83 -2.378 -13.887 -4.281 626 1HA GLY 83 2HA GLY 83 -2.837 -14.006 -1.748 627 2HA GLY 83 1HA GLY 83 -1.096 -13.870 -1.525 628 H GLU 84 H GLU 84 -2.158 -12.045 -0.103 629 HA GLU 84 HA GLU 84 -2.448 -9.603 -1.823 630 1HB GLU 84 2HB GLU 84 -4.315 -10.364 -0.243 631 2HB GLU 84 1HB GLU 84 -3.315 -9.806 1.079 632 1HG GLU 84 2HG GLU 84 -3.099 -7.526 -0.220 633 2HG GLU 84 1HG GLU 84 -4.092 -8.215 -1.433 634 H TYR 85 H TYR 85 -0.607 -8.760 -2.120 635 HA TYR 85 HA TYR 85 1.481 -8.521 -0.012 636 1HB TYR 85 2HB TYR 85 1.667 -7.360 -2.803 637 2HB TYR 85 1HB TYR 85 2.975 -7.800 -1.737 638 HD1 TYR 85 HD1 TYR 85 0.687 -10.625 -1.755 639 HD2 TYR 85 HD2 TYR 85 3.637 -8.575 -4.064 640 HE1 TYR 85 HE1 TYR 85 1.067 -12.631 -3.098 641 HE2 TYR 85 HE2 TYR 85 3.980 -10.644 -5.376 642 HH TYR 85 HH TYR 85 2.007 -12.916 -5.657 643 H THR 86 H THR 86 2.424 -6.582 0.715 644 HA THR 86 HA THR 86 0.659 -4.181 0.376 645 HB THR 86 HB THR 86 2.563 -4.373 2.735 646 HG1 THR 86 HG1 THR 86 1.361 -5.817 3.461 647 1HG2 THR 86 1HG2 THR 86 -0.270 -3.260 2.327 648 2HG2 THR 86 3HG2 THR 86 0.744 -3.053 3.745 649 3HG2 THR 86 2HG2 THR 86 1.167 -2.262 2.235 650 H PHE 87 H PHE 87 1.225 -2.416 -0.222 651 HA PHE 87 HA PHE 87 4.057 -1.790 -0.636 652 1HB PHE 87 2HB PHE 87 2.848 -0.027 -2.284 653 2HB PHE 87 1HB PHE 87 3.476 -1.595 -2.762 654 HD1 PHE 87 HD2 PHE 87 1.834 -3.555 -2.427 655 HD2 PHE 87 HD1 PHE 87 0.655 0.479 -2.798 656 HE1 PHE 87 HE2 PHE 87 -0.301 -4.301 -3.134 657 HE2 PHE 87 HE1 PHE 87 -1.559 -0.221 -3.534 658 HZ PHE 87 HZ PHE 87 -2.096 -2.632 -3.731 659 H TYR 88 H TYR 88 4.548 -0.239 1.149 660 HA TYR 88 HA TYR 88 2.478 1.794 1.675 661 1HB TYR 88 2HB TYR 88 3.536 1.956 3.936 662 2HB TYR 88 1HB TYR 88 3.153 0.277 3.589 663 HD1 TYR 88 HD1 TYR 88 5.861 2.780 3.704 664 HD2 TYR 88 HD2 TYR 88 4.865 -1.348 3.324 665 HE1 TYR 88 HE1 TYR 88 8.234 2.160 3.979 666 HE2 TYR 88 HE2 TYR 88 7.242 -1.914 3.598 667 HH TYR 88 HH TYR 88 9.238 -0.839 3.124 668 H CYS 89 H CYS 89 3.431 3.946 2.255 669 HA CYS 89 HA CYS 89 5.581 4.584 0.244 670 1HB CYS 89 2HB CYS 89 3.161 5.505 0.361 671 2HB CYS 89 1HB CYS 89 3.833 6.493 1.650 672 H GLU 90 H GLU 90 7.086 6.138 0.707 673 HA GLU 90 HA GLU 90 8.440 5.795 3.273 674 1HB GLU 90 2HB GLU 90 9.803 5.714 1.427 675 2HB GLU 90 1HB GLU 90 8.932 6.896 0.516 676 1HG GLU 90 2HG GLU 90 10.061 8.591 2.360 677 2HG GLU 90 1HG GLU 90 11.211 7.274 2.488 678 HA PRO 91 HA PRO 91 7.091 10.047 4.548 679 1HB PRO 91 2HB PRO 91 7.346 12.165 3.007 680 2HB PRO 91 1HB PRO 91 8.730 11.055 3.174 681 1HG PRO 91 2HG PRO 91 6.760 11.247 0.841 682 2HG PRO 91 1HG PRO 91 8.508 10.972 0.803 683 1HD PRO 91 2HD PRO 91 6.448 8.903 0.857 684 2HD PRO 91 1HD PRO 91 8.219 8.733 0.841 685 H HIS 92 HN HIP 92 4.725 8.609 3.938 686 HA HIS 92 HA HIP 92 2.837 10.884 3.868 687 1HB HIS 92 2HB HIP 92 3.046 8.678 1.857 688 2HB HIS 92 1HB HIP 92 1.441 9.345 2.085 689 HD2 HIS 92 HD2 HIP 92 2.830 12.588 2.324 690 HE1 HIS 92 HE1 HIP 92 3.500 11.695 -1.685 691 HE2 HIS 92 HE2 HIP 92 3.362 13.448 -0.013 692 H ARG 93 H ARG 93 0.463 10.481 3.728 693 HA ARG 93 HA ARG 93 -1.551 9.550 4.724 694 1HB ARG 93 2HB ARG 93 -0.514 7.305 4.665 695 2HB ARG 93 1HB ARG 93 0.162 7.570 6.248 696 1HG ARG 93 2HG ARG 93 -1.945 6.294 6.408 697 2HG ARG 93 1HG ARG 93 -2.054 7.813 7.255 698 1HD ARG 93 2HD ARG 93 -2.982 7.765 4.365 699 2HD ARG 93 1HD ARG 93 -3.995 7.003 5.585 700 HE ARG 93 HE ARG 93 -3.002 9.833 6.089 701 1HH1 ARG 93 2HH1 ARG 93 -4.456 9.188 8.008 702 2HH1 ARG 93 1HH1 ARG 93 -6.103 9.612 7.657 703 1HH2 ARG 93 1HH2 ARG 93 -5.153 9.596 4.294 704 2HH2 ARG 93 2HH2 ARG 93 -6.547 9.845 5.299 705 H GLY 94 H GLY 94 1.247 10.201 6.334 706 1HA GLY 94 2HA GLY 94 1.194 12.247 8.023 707 2HA GLY 94 1HA GLY 94 0.419 11.020 9.060 708 H ALA 95 H ALA 95 1.600 8.962 7.727 709 HA ALA 95 HA ALA 95 4.429 8.674 8.668 710 1HB ALA 95 1HB ALA 95 2.092 6.853 8.524 711 2HB ALA 95 3HB ALA 95 3.713 6.430 9.110 712 3HB ALA 95 2HB ALA 95 2.738 7.649 9.954 713 H GLY 96 H GLY 96 3.179 6.325 7.166 714 1HA GLY 96 2HA GLY 96 4.432 6.652 4.423 715 2HA GLY 96 1HA GLY 96 4.674 5.184 5.316 716 H MET 97 H MET 97 1.743 6.960 4.354 717 HA MET 97 HA MET 97 -0.340 5.376 4.104 718 1HB MET 97 2HB MET 97 -0.897 6.144 1.781 719 2HB MET 97 1HB MET 97 -0.218 7.474 2.686 720 1HG MET 97 2HG MET 97 1.981 6.779 1.749 721 2HG MET 97 1HG MET 97 1.116 5.746 0.637 722 1HE MET 97 1HE MET 97 -0.360 6.275 -1.006 723 2HE MET 97 3HE MET 97 -1.394 7.653 -0.591 724 3HE MET 97 2HE MET 97 -0.298 7.728 -1.963 725 H VAL 98 H VAL 98 -0.904 3.502 3.881 726 HA VAL 98 HA VAL 98 0.628 1.459 2.434 727 HB VAL 98 HB VAL 98 -0.409 -0.039 4.124 728 1HG1 VAL 98 3HG1 VAL 98 1.687 1.297 4.732 729 2HG1 VAL 98 2HG1 VAL 98 0.684 2.584 5.322 730 3HG1 VAL 98 1HG1 VAL 98 0.668 1.038 6.131 731 1HG2 VAL 98 3HG2 VAL 98 -2.598 1.252 4.387 732 2HG2 VAL 98 2HG2 VAL 98 -1.806 1.001 5.928 733 3HG2 VAL 98 1HG2 VAL 98 -1.730 2.557 5.155 734 H GLY 99 H GLY 99 0.018 0.329 0.694 735 1HA GLY 99 2HA GLY 99 -2.926 0.059 0.095 736 2HA GLY 99 1HA GLY 99 -1.716 0.286 -1.154 737 H LYS 100 H LYS 100 -3.606 -1.906 -0.857 738 HA LYS 100 HA LYS 100 -1.748 -4.206 -0.666 739 1HB LYS 100 2HB LYS 100 -4.521 -3.764 0.384 740 2HB LYS 100 1HB LYS 100 -4.153 -5.387 -0.131 741 1HG LYS 100 2HG LYS 100 -2.708 -3.794 2.029 742 2HG LYS 100 1HG LYS 100 -3.737 -5.197 2.296 743 1HD LYS 100 2HD LYS 100 -1.889 -6.165 0.404 744 2HD LYS 100 1HD LYS 100 -0.942 -5.020 1.277 745 1HE LYS 100 2HE LYS 100 -0.527 -7.092 2.271 746 2HE LYS 100 1HE LYS 100 -1.547 -6.208 3.407 747 1HZ LYS 100 3HZ LYS 100 -3.198 -7.507 1.516 748 2HZ LYS 100 2HZ LYS 100 -2.074 -8.626 2.017 749 3HZ LYS 100 1HZ LYS 100 -3.144 -7.873 3.120 750 H ILE 101 H ILE 101 -1.536 -5.466 -2.305 751 HA ILE 101 HA ILE 101 -3.514 -5.405 -4.588 752 HB ILE 101 HB ILE 101 -0.904 -4.770 -4.998 753 1HG1 ILE 101 2HG1 ILE 101 -2.699 -6.511 -6.696 754 2HG1 ILE 101 1HG1 ILE 101 -2.422 -4.793 -6.833 755 1HG2 ILE 101 2HG2 ILE 101 -0.092 -7.045 -4.042 756 2HG2 ILE 101 1HG2 ILE 101 -0.923 -7.796 -5.397 757 3HG2 ILE 101 3HG2 ILE 101 0.440 -6.742 -5.690 758 1HD1 ILE 101 2HD1 ILE 101 0.006 -5.283 -7.570 759 2HD1 ILE 101 1HD1 ILE 101 -0.370 -6.989 -7.551 760 3HD1 ILE 101 3HD1 ILE 101 -1.144 -5.958 -8.690 761 H THR 102 H THR 102 -4.686 -7.236 -4.723 762 HA THR 102 HA THR 102 -3.816 -9.744 -3.331 763 HB THR 102 HB THR 102 -6.505 -9.853 -4.616 764 HG1 THR 102 HG1 THR 102 -6.326 -8.077 -2.410 765 1HG2 THR 102 2HG2 THR 102 -5.713 -9.785 -1.685 766 2HG2 THR 102 1HG2 THR 102 -7.238 -10.322 -2.354 767 3HG2 THR 102 3HG2 THR 102 -5.782 -11.259 -2.643 768 H VAL 103 H VAL 103 -2.400 -10.670 -4.715 769 HA VAL 103 HA VAL 103 -2.789 -10.718 -7.623 770 HB VAL 103 HB VAL 103 -0.800 -12.291 -5.959 771 1HG1 VAL 103 1HG1 VAL 103 -0.735 -11.310 -8.847 772 2HG1 VAL 103 3HG1 VAL 103 0.557 -12.184 -8.055 773 3HG1 VAL 103 2HG1 VAL 103 -0.972 -12.975 -8.345 774 1HG2 VAL 103 1HG2 VAL 103 -0.402 -9.471 -7.006 775 2HG2 VAL 103 3HG2 VAL 103 -0.518 -9.957 -5.329 776 3HG2 VAL 103 2HG2 VAL 103 0.830 -10.493 -6.308 777 H ALA 104 H ALA 104 -3.603 -12.280 -8.765 778 HA ALA 104 HA ALA 104 -4.769 -14.658 -7.388 779 1HB ALA 104 2HB ALA 104 -6.373 -13.002 -8.251 780 2HB ALA 104 1HB ALA 104 -5.664 -13.106 -9.848 781 3HB ALA 104 3HB ALA 104 -6.529 -14.479 -9.192 782 H GLY 105 HN GLY 105 -5.515 -16.028 -9.678 783 1HA GLY 105 2HA GLY 105 -3.059 -16.987 -11.046 784 2HA GLY 105 1HA GLY 105 -4.169 -18.124 -10.265 No H/Q in entry = 784 Start of MODEL 20 1 1H GLU 1 3H GLU 1 -4.870 -5.259 -16.376 2 2H GLU 1 2H GLU 1 -5.474 -5.611 -17.916 3 3H GLU 1 1H GLU 1 -4.305 -6.590 -17.177 4 HA GLU 1 HA GLU 1 -2.626 -5.370 -17.978 5 1HB GLU 1 2HB GLU 1 -4.145 -5.174 -19.942 6 2HB GLU 1 1HB GLU 1 -4.863 -3.732 -19.241 7 1HG GLU 1 2HG GLU 1 -2.717 -2.507 -19.413 8 2HG GLU 1 1HG GLU 1 -1.867 -3.967 -19.925 9 H THR 2 H THR 2 -1.526 -3.172 -17.849 10 HA THR 2 HA THR 2 -1.609 -2.039 -15.269 11 HB THR 2 HB THR 2 0.114 -1.998 -17.396 12 HG1 THR 2 HG1 THR 2 0.740 -0.077 -15.703 13 1HG2 THR 2 3HG2 THR 2 -0.627 0.868 -16.940 14 2HG2 THR 2 2HG2 THR 2 0.691 0.192 -17.878 15 3HG2 THR 2 1HG2 THR 2 -0.976 0.000 -18.436 16 H TYR 3 H TYR 3 -3.596 -1.813 -14.707 17 HA TYR 3 HA TYR 3 -5.281 0.396 -15.595 18 1HB TYR 3 2HB TYR 3 -5.381 -0.716 -12.733 19 2HB TYR 3 1HB TYR 3 -6.732 -0.196 -13.719 20 HD1 TYR 3 HD2 TYR 3 -7.479 -1.658 -15.643 21 HD2 TYR 3 HD1 TYR 3 -4.593 -2.952 -12.796 22 HE1 TYR 3 HE2 TYR 3 -7.779 -4.019 -16.353 23 HE2 TYR 3 HE1 TYR 3 -4.918 -5.286 -13.537 24 HH TYR 3 HH TYR 3 -5.841 -6.562 -15.001 25 H THR 4 H THR 4 -5.252 2.543 -14.887 26 HA THR 4 HA THR 4 -2.882 3.427 -13.414 27 HB THR 4 HB THR 4 -3.732 5.718 -14.157 28 HG1 THR 4 HG1 THR 4 -5.916 4.916 -14.049 29 1HG2 THR 4 1HG2 THR 4 -2.421 4.213 -15.837 30 2HG2 THR 4 3HG2 THR 4 -3.981 3.608 -16.360 31 3HG2 THR 4 2HG2 THR 4 -3.594 5.300 -16.570 32 H VAL 5 H VAL 5 -2.987 3.131 -11.347 33 HA VAL 5 HA VAL 5 -5.317 4.122 -9.772 34 HB VAL 5 HB VAL 5 -2.719 2.730 -8.915 35 1HG1 VAL 5 2HG1 VAL 5 -5.374 3.121 -7.426 36 2HG1 VAL 5 1HG1 VAL 5 -3.992 2.244 -6.813 37 3HG1 VAL 5 3HG1 VAL 5 -3.890 3.971 -7.062 38 1HG2 VAL 5 2HG2 VAL 5 -5.496 1.535 -9.364 39 2HG2 VAL 5 1HG2 VAL 5 -4.090 1.255 -10.382 40 3HG2 VAL 5 3HG2 VAL 5 -4.107 0.668 -8.729 41 H LYS 6 H LYS 6 -5.099 6.023 -8.531 42 HA LYS 6 HA LYS 6 -2.487 7.487 -8.869 43 1HB LYS 6 2HB LYS 6 -5.268 8.677 -8.652 44 2HB LYS 6 1HB LYS 6 -3.774 9.545 -8.944 45 1HG LYS 6 2HG LYS 6 -3.486 8.153 -11.083 46 2HG LYS 6 1HG LYS 6 -5.078 7.504 -10.808 47 1HD LYS 6 2HD LYS 6 -5.299 9.354 -12.414 48 2HD LYS 6 1HD LYS 6 -6.075 9.808 -10.922 49 1HE LYS 6 2HE LYS 6 -3.193 10.604 -11.187 50 2HE LYS 6 1HE LYS 6 -4.327 11.437 -12.247 51 1HZ LYS 6 2HZ LYS 6 -5.491 11.231 -9.668 52 2HZ LYS 6 1HZ LYS 6 -4.009 11.770 -9.396 53 3HZ LYS 6 3HZ LYS 6 -4.969 12.674 -10.363 54 H LEU 7 H LEU 7 -1.569 8.423 -7.270 55 HA LEU 7 HA LEU 7 -2.856 8.368 -4.562 56 1HB LEU 7 2HB LEU 7 -0.337 7.779 -3.810 57 2HB LEU 7 1HB LEU 7 -1.440 6.538 -4.355 58 HG LEU 7 HG LEU 7 -0.416 6.568 -6.605 59 1HD1 LEU 7 3HD1 LEU 7 1.376 8.663 -5.398 60 2HD1 LEU 7 2HD1 LEU 7 1.631 7.885 -6.958 61 3HD1 LEU 7 1HD1 LEU 7 0.208 8.860 -6.664 62 1HD2 LEU 7 1HD2 LEU 7 1.678 6.398 -4.383 63 2HD2 LEU 7 3HD2 LEU 7 0.600 5.095 -4.856 64 3HD2 LEU 7 2HD2 LEU 7 1.809 5.692 -5.977 65 H GLY 8 H GLY 8 -2.554 9.959 -3.225 66 1HA GLY 8 2HA GLY 8 -1.263 11.977 -2.350 67 2HA GLY 8 1HA GLY 8 -0.765 12.291 -3.990 68 H SER 9 H SER 9 -3.784 12.142 -2.102 69 HA SER 9 HA SER 9 -5.734 13.485 -2.190 70 1HB SER 9 2HB SER 9 -4.301 15.168 -1.315 71 2HB SER 9 1HB SER 9 -3.529 15.467 -2.862 72 HG SER 9 HG SER 9 -6.010 16.290 -1.884 73 H ASP 10 H ASP 10 -6.039 11.928 -3.961 74 HA ASP 10 HA ASP 10 -6.336 13.211 -6.610 75 1HB ASP 10 2HB ASP 10 -5.887 10.557 -5.586 76 2HB ASP 10 1HB ASP 10 -7.524 10.535 -6.172 77 H LYS 11 H LYS 11 -8.572 11.298 -4.608 78 HA LYS 11 HA LYS 11 -10.730 13.285 -5.236 79 1HB LYS 11 2HB LYS 11 -11.321 10.802 -3.627 80 2HB LYS 11 1HB LYS 11 -12.274 11.541 -4.879 81 1HG LYS 11 2HG LYS 11 -9.898 9.715 -5.158 82 2HG LYS 11 1HG LYS 11 -11.501 9.382 -5.694 83 1HD LYS 11 2HD LYS 11 -11.341 11.174 -7.441 84 2HD LYS 11 1HD LYS 11 -9.713 11.556 -6.969 85 1HE LYS 11 2HE LYS 11 -10.651 9.009 -8.269 86 2HE LYS 11 1HE LYS 11 -9.538 10.221 -8.911 87 1HZ LYS 11 1HZ LYS 11 -8.648 9.217 -6.365 88 2HZ LYS 11 3HZ LYS 11 -8.866 7.975 -7.337 89 3HZ LYS 11 2HZ LYS 11 -7.813 9.222 -7.801 90 H GLY 12 H GLY 12 -8.800 14.201 -3.599 91 1HA GLY 12 2HA GLY 12 -9.485 15.815 -1.693 92 2HA GLY 12 1HA GLY 12 -10.054 14.407 -0.859 93 H LEU 13 H LEU 13 -8.256 12.810 -0.336 94 HA LEU 13 HA LEU 13 -5.906 14.356 0.728 95 1HB LEU 13 2HB LEU 13 -6.021 12.367 2.514 96 2HB LEU 13 1HB LEU 13 -7.060 13.765 2.601 97 HG LEU 13 HG LEU 13 -8.941 12.540 1.615 98 1HD1 LEU 13 3HD1 LEU 13 -7.581 11.027 0.056 99 2HD1 LEU 13 2HD1 LEU 13 -7.015 10.206 1.491 100 3HD1 LEU 13 1HD1 LEU 13 -8.705 10.138 1.057 101 1HD2 LEU 13 2HD2 LEU 13 -7.488 10.909 3.737 102 2HD2 LEU 13 1HD2 LEU 13 -8.518 12.296 4.036 103 3HD2 LEU 13 3HD2 LEU 13 -9.199 10.827 3.369 104 H LEU 14 H LEU 14 -3.914 13.152 1.414 105 HA LEU 14 HA LEU 14 -2.899 11.534 -0.871 106 1HB LEU 14 2HB LEU 14 -0.677 11.939 0.241 107 2HB LEU 14 1HB LEU 14 -1.475 13.390 -0.300 108 HG LEU 14 HG LEU 14 -1.885 12.502 2.574 109 1HD1 LEU 14 3HD1 LEU 14 0.581 13.913 1.407 110 2HD1 LEU 14 2HD1 LEU 14 0.256 13.671 3.113 111 3HD1 LEU 14 1HD1 LEU 14 0.559 12.296 2.076 112 1HD2 LEU 14 1HD2 LEU 14 -2.971 14.659 1.547 113 2HD2 LEU 14 3HD2 LEU 14 -1.851 14.992 2.849 114 3HD2 LEU 14 2HD2 LEU 14 -1.350 15.201 1.186 115 H VAL 15 H VAL 15 -4.428 10.037 -0.044 116 HA VAL 15 HA VAL 15 -3.193 7.926 1.694 117 HB VAL 15 HB VAL 15 -6.042 8.606 0.936 118 1HG1 VAL 15 2HG1 VAL 15 -5.149 6.434 2.840 119 2HG1 VAL 15 1HG1 VAL 15 -6.784 7.001 2.612 120 3HG1 VAL 15 3HG1 VAL 15 -5.977 6.186 1.303 121 1HG2 VAL 15 3HG2 VAL 15 -4.469 8.764 3.569 122 2HG2 VAL 15 2HG2 VAL 15 -4.962 10.136 2.610 123 3HG2 VAL 15 1HG2 VAL 15 -6.173 9.161 3.417 124 H PHE 16 H PHE 16 -4.211 5.713 0.873 125 HA PHE 16 HA PHE 16 -3.666 5.441 -2.075 126 1HB PHE 16 2HB PHE 16 -3.107 3.684 0.299 127 2HB PHE 16 1HB PHE 16 -3.255 2.948 -1.278 128 HD1 PHE 16 HD2 PHE 16 -1.759 6.148 -1.919 129 HD2 PHE 16 HD1 PHE 16 -1.022 2.326 -0.279 130 HE1 PHE 16 HE2 PHE 16 0.658 6.423 -2.319 131 HE2 PHE 16 HE1 PHE 16 1.382 2.605 -0.660 132 HZ PHE 16 HZ PHE 16 2.219 4.600 -1.664 133 H GLU 17 H GLU 17 -5.554 5.481 -3.150 134 HA GLU 17 HA GLU 17 -7.706 3.629 -2.278 135 1HB GLU 17 2HB GLU 17 -9.157 5.043 -3.690 136 2HB GLU 17 1HB GLU 17 -8.201 6.090 -2.666 137 1HG GLU 17 2HG GLU 17 -6.579 6.478 -4.577 138 2HG GLU 17 1HG GLU 17 -7.537 5.427 -5.592 139 HA PRO 18 HA PRO 18 -9.131 2.314 -2.825 140 1HB PRO 18 2HB PRO 18 -10.371 0.235 -3.889 141 2HB PRO 18 1HB PRO 18 -10.524 1.834 -4.646 142 1HG PRO 18 2HG PRO 18 -8.519 -0.402 -5.359 143 2HG PRO 18 1HG PRO 18 -9.658 0.384 -6.462 144 1HD PRO 18 2HD PRO 18 -7.042 1.272 -6.211 145 2HD PRO 18 1HD PRO 18 -8.365 2.413 -6.528 146 H ALA 19 H ALA 19 -7.226 1.831 -1.432 147 HA ALA 19 HA ALA 19 -5.517 0.387 -0.556 148 1HB ALA 19 2HB ALA 19 -7.093 1.345 1.006 149 2HB ALA 19 1HB ALA 19 -8.237 0.039 0.741 150 3HB ALA 19 3HB ALA 19 -6.707 -0.276 1.544 151 H LYS 20 H LYS 20 -8.196 -1.659 -1.318 152 HA LYS 20 HA LYS 20 -6.481 -4.134 -1.077 153 1HB LYS 20 2HB LYS 20 -8.211 -4.770 0.307 154 2HB LYS 20 1HB LYS 20 -9.061 -3.314 -0.052 155 1HG LYS 20 2HG LYS 20 -10.670 -4.757 -0.551 156 2HG LYS 20 1HG LYS 20 -10.080 -4.618 -2.136 157 1HD LYS 20 2HD LYS 20 -9.784 -6.871 -0.087 158 2HD LYS 20 1HD LYS 20 -10.470 -6.993 -1.682 159 1HE LYS 20 2HE LYS 20 -7.532 -6.882 -1.003 160 2HE LYS 20 1HE LYS 20 -8.441 -8.270 -1.564 161 1HZ LYS 20 3HZ LYS 20 -8.828 -6.004 -3.303 162 2HZ LYS 20 2HZ LYS 20 -7.173 -6.375 -3.088 163 3HZ LYS 20 1HZ LYS 20 -8.195 -7.520 -3.736 164 H LEU 21 H LEU 21 -5.553 -3.862 -3.205 165 HA LEU 21 HA LEU 21 -7.409 -3.962 -5.564 166 1HB LEU 21 2HB LEU 21 -5.325 -2.414 -5.298 167 2HB LEU 21 1HB LEU 21 -4.396 -3.816 -5.742 168 HG LEU 21 HG LEU 21 -6.300 -2.143 -7.405 169 1HD1 LEU 21 2HD1 LEU 21 -3.870 -1.787 -7.534 170 2HD1 LEU 21 1HD1 LEU 21 -3.624 -3.461 -7.975 171 3HD1 LEU 21 3HD1 LEU 21 -4.476 -2.389 -9.064 172 1HD2 LEU 21 2HD2 LEU 21 -5.668 -5.029 -8.172 173 2HD2 LEU 21 1HD2 LEU 21 -7.262 -4.399 -7.807 174 3HD2 LEU 21 3HD2 LEU 21 -6.409 -3.831 -9.202 175 H THR 22 H THR 22 -7.882 -5.822 -6.600 176 HA THR 22 HA THR 22 -6.030 -8.201 -6.300 177 HB THR 22 HB THR 22 -9.020 -8.218 -7.179 178 HG1 THR 22 HG1 THR 22 -8.620 -9.481 -4.976 179 1HG2 THR 22 3HG2 THR 22 -7.495 -10.246 -7.783 180 2HG2 THR 22 2HG2 THR 22 -7.167 -10.439 -6.081 181 3HG2 THR 22 1HG2 THR 22 -8.794 -10.648 -6.687 182 H ILE 23 H ILE 23 -4.695 -7.486 -7.826 183 HA ILE 23 HA ILE 23 -5.464 -6.849 -10.573 184 HB ILE 23 HB ILE 23 -2.542 -6.683 -10.344 185 1HG1 ILE 23 2HG1 ILE 23 -3.718 -5.553 -7.910 186 2HG1 ILE 23 1HG1 ILE 23 -2.956 -7.128 -8.111 187 1HG2 ILE 23 1HG2 ILE 23 -4.639 -4.524 -10.099 188 2HG2 ILE 23 3HG2 ILE 23 -2.954 -4.309 -10.500 189 3HG2 ILE 23 2HG2 ILE 23 -4.008 -5.153 -11.606 190 1HD1 ILE 23 1HD1 ILE 23 -1.547 -4.562 -8.939 191 2HD1 ILE 23 3HD1 ILE 23 -1.320 -5.374 -7.402 192 3HD1 ILE 23 2HD1 ILE 23 -0.907 -6.192 -8.897 193 H LYS 24 H LYS 24 -2.764 -8.216 -10.035 194 HA LYS 24 HA LYS 24 -2.478 -9.777 -12.338 195 1HB LYS 24 2HB LYS 24 -1.028 -9.580 -9.672 196 2HB LYS 24 1HB LYS 24 -0.386 -10.701 -10.848 197 1HG LYS 24 2HG LYS 24 0.307 -9.019 -12.237 198 2HG LYS 24 1HG LYS 24 -1.022 -7.934 -11.881 199 1HD LYS 24 2HD LYS 24 0.171 -7.656 -9.551 200 2HD LYS 24 1HD LYS 24 1.465 -8.563 -10.272 201 1HE LYS 24 2HE LYS 24 1.892 -6.946 -11.946 202 2HE LYS 24 1HE LYS 24 0.467 -6.001 -11.570 203 1HZ LYS 24 2HZ LYS 24 2.175 -6.409 -9.242 204 2HZ LYS 24 1HZ LYS 24 3.024 -5.609 -10.439 205 3HZ LYS 24 3HZ LYS 24 1.589 -4.964 -9.927 206 HA PRO 25 HA PRO 25 -2.512 -13.880 -11.460 207 1HB PRO 25 2HB PRO 25 -3.864 -14.971 -13.458 208 2HB PRO 25 1HB PRO 25 -4.784 -14.329 -12.088 209 1HG PRO 25 2HG PRO 25 -4.212 -12.954 -14.784 210 2HG PRO 25 1HG PRO 25 -5.764 -13.083 -13.956 211 1HD PRO 25 2HD PRO 25 -4.016 -10.846 -13.721 212 2HD PRO 25 1HD PRO 25 -5.304 -11.244 -12.568 213 H GLY 26 H GLY 26 -0.991 -11.872 -12.199 214 1HA GLY 26 2HA GLY 26 1.281 -11.830 -13.215 215 2HA GLY 26 1HA GLY 26 0.697 -12.942 -14.451 216 H ASP 27 H ASP 27 -0.801 -10.043 -13.344 217 HA ASP 27 HA ASP 27 -0.709 -8.882 -16.081 218 1HB ASP 27 2HB ASP 27 -2.959 -9.495 -15.023 219 2HB ASP 27 1HB ASP 27 -2.640 -8.289 -13.785 220 H THR 28 H THR 28 -0.815 -6.573 -16.287 221 HA THR 28 HA THR 28 1.263 -5.189 -14.695 222 HB THR 28 HB THR 28 0.009 -4.115 -17.202 223 HG1 THR 28 HG1 THR 28 1.758 -6.238 -16.780 224 1HG2 THR 28 2HG2 THR 28 1.659 -2.677 -15.701 225 2HG2 THR 28 1HG2 THR 28 2.818 -3.947 -15.944 226 3HG2 THR 28 3HG2 THR 28 2.238 -3.039 -17.312 227 H VAL 29 H VAL 29 0.917 -3.638 -13.411 228 HA VAL 29 HA VAL 29 -1.738 -2.363 -13.110 229 HB VAL 29 HB VAL 29 -1.128 -3.914 -11.463 230 1HG1 VAL 29 2HG1 VAL 29 1.162 -3.381 -11.254 231 2HG1 VAL 29 1HG1 VAL 29 0.821 -1.800 -10.585 232 3HG1 VAL 29 3HG1 VAL 29 0.384 -3.223 -9.657 233 1HG2 VAL 29 3HG2 VAL 29 -2.820 -2.047 -11.080 234 2HG2 VAL 29 2HG2 VAL 29 -1.949 -2.345 -9.589 235 3HG2 VAL 29 1HG2 VAL 29 -1.524 -0.980 -10.595 236 H GLU 30 H GLU 30 -1.550 0.137 -12.936 237 HA GLU 30 HA GLU 30 1.162 1.227 -13.134 238 1HB GLU 30 2HB GLU 30 -0.515 1.335 -15.008 239 2HB GLU 30 1HB GLU 30 -1.387 2.484 -14.067 240 1HG GLU 30 2HG GLU 30 0.161 3.802 -15.472 241 2HG GLU 30 1HG GLU 30 0.861 3.835 -13.872 242 H PHE 31 H PHE 31 1.875 2.561 -11.482 243 HA PHE 31 HA PHE 31 -0.190 3.709 -9.587 244 1HB PHE 31 2HB PHE 31 2.782 3.440 -9.018 245 2HB PHE 31 1HB PHE 31 1.511 3.715 -7.862 246 HD1 PHE 31 HD1 PHE 31 -0.421 1.517 -8.721 247 HD2 PHE 31 HD2 PHE 31 3.794 1.521 -8.190 248 HE1 PHE 31 HE1 PHE 31 -0.476 -0.881 -8.222 249 HE2 PHE 31 HE2 PHE 31 3.753 -0.862 -7.698 250 HZ PHE 31 HZ PHE 31 1.610 -2.087 -7.706 251 H LEU 32 H LEU 32 -0.589 5.773 -10.067 252 HA LEU 32 HA LEU 32 1.460 7.541 -11.185 253 1HB LEU 32 2HB LEU 32 -0.414 7.107 -12.651 254 2HB LEU 32 1HB LEU 32 -1.543 7.374 -11.357 255 HG LEU 32 HG LEU 32 -1.043 9.805 -11.360 256 1HD1 LEU 32 3HD1 LEU 32 0.836 9.096 -13.658 257 2HD1 LEU 32 2HD1 LEU 32 0.420 10.710 -13.120 258 3HD1 LEU 32 1HD1 LEU 32 1.343 9.663 -12.073 259 1HD2 LEU 32 2HD2 LEU 32 -2.747 8.858 -13.010 260 2HD2 LEU 32 1HD2 LEU 32 -1.916 10.265 -13.668 261 3HD2 LEU 32 3HD2 LEU 32 -1.452 8.656 -14.170 262 H ASN 33 H ASN 33 2.272 9.186 -10.169 263 HA ASN 33 HA ASN 33 1.372 10.090 -7.546 264 1HB ASN 33 2HB ASN 33 3.644 10.841 -9.390 265 2HB ASN 33 1HB ASN 33 3.515 11.416 -7.738 266 1HD2 ASN 33 2HD2 ASN 33 5.013 8.454 -6.651 267 2HD2 ASN 33 1HD2 ASN 33 4.989 10.156 -6.489 268 H ASN 34 H ASN 34 0.005 11.544 -7.127 269 HA ASN 34 HA ASN 34 -0.797 13.589 -9.138 270 1HB ASN 34 2HB ASN 34 -2.315 11.824 -8.108 271 2HB ASN 34 1HB ASN 34 -2.158 12.614 -6.578 272 1HD2 ASN 34 2HD2 ASN 34 -4.648 14.860 -7.305 273 2HD2 ASN 34 1HD2 ASN 34 -3.564 14.254 -6.140 274 H LYS 35 H LYS 35 -1.287 14.195 -5.703 275 HA LYS 35 HA LYS 35 0.291 16.738 -5.959 276 1HB LYS 35 2HB LYS 35 -2.035 16.147 -4.123 277 2HB LYS 35 1HB LYS 35 -1.314 17.719 -4.349 278 1HG LYS 35 2HG LYS 35 -2.283 18.051 -6.482 279 2HG LYS 35 1HG LYS 35 -2.609 16.339 -6.714 280 1HD LYS 35 2HD LYS 35 -4.076 16.422 -4.623 281 2HD LYS 35 1HD LYS 35 -3.881 18.152 -4.560 282 1HE LYS 35 2HE LYS 35 -5.221 18.467 -6.495 283 2HE LYS 35 1HE LYS 35 -5.069 16.775 -6.974 284 1HZ LYS 35 1HZ LYS 35 -5.960 16.764 -4.327 285 2HZ LYS 35 3HZ LYS 35 -6.999 17.851 -5.124 286 3HZ LYS 35 2HZ LYS 35 -6.776 16.230 -5.626 287 H VAL 36 H VAL 36 0.430 17.568 -3.461 288 HA VAL 36 HA VAL 36 2.200 17.454 -1.814 289 HB VAL 36 HB VAL 36 0.131 15.468 -0.848 290 1HG1 VAL 36 1HG1 VAL 36 1.879 17.496 0.636 291 2HG1 VAL 36 3HG1 VAL 36 0.671 16.470 1.379 292 3HG1 VAL 36 2HG1 VAL 36 2.094 15.757 0.657 293 1HG2 VAL 36 2HG2 VAL 36 0.080 18.534 -0.765 294 2HG2 VAL 36 1HG2 VAL 36 -0.991 17.539 -1.741 295 3HG2 VAL 36 3HG2 VAL 36 -1.091 17.485 0.004 296 HA PRO 37 HA PRO 37 4.304 13.550 -2.989 297 1HB PRO 37 2HB PRO 37 6.650 14.561 -3.902 298 2HB PRO 37 1HB PRO 37 5.151 14.790 -4.827 299 1HG PRO 37 2HG PRO 37 6.368 16.682 -2.719 300 2HG PRO 37 1HG PRO 37 6.036 17.075 -4.408 301 1HD PRO 37 2HD PRO 37 4.220 17.629 -2.462 302 2HD PRO 37 1HD PRO 37 3.646 17.042 -4.046 303 HA PRO 38 HA PRO 38 6.176 12.499 -3.573 304 1HB PRO 38 2HB PRO 38 8.344 11.060 -3.404 305 2HB PRO 38 1HB PRO 38 8.505 12.814 -3.265 306 1HG PRO 38 2HG PRO 38 8.374 10.788 -0.950 307 2HG PRO 38 1HG PRO 38 9.548 12.083 -1.186 308 1HD PRO 38 2HD PRO 38 7.132 12.310 0.334 309 2HD PRO 38 1HD PRO 38 8.078 13.691 -0.254 310 H HIS 39 HN HIP 39 5.492 10.548 -4.323 311 HA HIS 39 HA HIP 39 4.393 8.627 -2.260 312 1HB HIS 39 2HB HIP 39 3.233 9.251 -4.893 313 2HB HIS 39 1HB HIP 39 2.554 8.230 -3.626 314 HD2 HIS 39 HD2 HIP 39 2.234 11.633 -4.865 315 HE1 HIS 39 HE1 HIP 39 1.591 12.106 -0.791 316 HE2 HIS 39 HE2 HIP 39 1.449 13.110 -3.015 317 H ASN 40 H ASN 40 6.389 7.386 -2.419 318 HA ASN 40 HA ASN 40 6.586 5.710 -4.918 319 1HB ASN 40 2HB ASN 40 8.664 7.062 -3.729 320 2HB ASN 40 1HB ASN 40 8.645 5.644 -2.706 321 1HD2 ASN 40 2HD2 ASN 40 10.401 5.192 -6.104 322 2HD2 ASN 40 1HD2 ASN 40 10.245 6.710 -5.342 323 H VAL 41 H VAL 41 6.721 3.368 -4.576 324 HA VAL 41 HA VAL 41 5.393 2.608 -1.985 325 HB VAL 41 HB VAL 41 4.666 0.586 -3.014 326 1HG1 VAL 41 3HG1 VAL 41 3.694 3.232 -4.271 327 2HG1 VAL 41 2HG1 VAL 41 2.746 1.755 -4.266 328 3HG1 VAL 41 1HG1 VAL 41 3.142 2.546 -2.754 329 1HG2 VAL 41 3HG2 VAL 41 5.393 2.036 -5.660 330 2HG2 VAL 41 2HG2 VAL 41 6.112 0.537 -5.111 331 3HG2 VAL 41 1HG2 VAL 41 4.429 0.577 -5.585 332 H VAL 42 H VAL 42 6.626 1.708 -0.648 333 HA VAL 42 HA VAL 42 8.822 -0.055 -1.597 334 HB VAL 42 HB VAL 42 8.405 0.778 1.310 335 1HG1 VAL 42 2HG1 VAL 42 10.230 -0.773 0.491 336 2HG1 VAL 42 1HG1 VAL 42 10.775 0.504 -0.584 337 3HG1 VAL 42 3HG1 VAL 42 10.924 0.690 1.139 338 1HG2 VAL 42 3HG2 VAL 42 9.668 2.534 -0.882 339 2HG2 VAL 42 2HG2 VAL 42 8.175 2.920 -0.054 340 3HG2 VAL 42 1HG2 VAL 42 9.673 2.893 0.829 341 H PHE 43 H PHE 43 8.473 -2.242 -1.204 342 HA PHE 43 HA PHE 43 5.778 -3.011 -0.406 343 1HB PHE 43 2HB PHE 43 7.918 -4.262 -2.019 344 2HB PHE 43 1HB PHE 43 6.815 -5.358 -1.202 345 HD1 PHE 43 HD1 PHE 43 6.794 -2.235 -3.310 346 HD2 PHE 43 HD2 PHE 43 4.736 -5.803 -2.229 347 HE1 PHE 43 HE1 PHE 43 5.108 -1.771 -5.005 348 HE2 PHE 43 HE2 PHE 43 3.051 -5.341 -3.926 349 HZ PHE 43 HZ PHE 43 3.223 -3.312 -5.325 350 H ASP 44 H ASP 44 5.283 -4.478 0.955 351 HA ASP 44 HA ASP 44 6.799 -4.622 3.453 352 1HB ASP 44 2HB ASP 44 4.740 -4.071 4.151 353 2HB ASP 44 1HB ASP 44 4.151 -4.258 2.522 354 H ALA 45 H ALA 45 7.108 -6.063 4.762 355 HA ALA 45 HA ALA 45 7.420 -8.896 4.044 356 1HB ALA 45 3HB ALA 45 9.470 -7.666 4.270 357 2HB ALA 45 2HB ALA 45 9.000 -7.145 5.884 358 3HB ALA 45 1HB ALA 45 9.333 -8.845 5.574 359 H ALA 46 H ALA 46 5.508 -7.070 5.909 360 HA ALA 46 HA ALA 46 5.373 -8.867 8.275 361 1HB ALA 46 1HB ALA 46 4.317 -6.087 7.783 362 2HB ALA 46 3HB ALA 46 4.158 -6.954 9.300 363 3HB ALA 46 2HB ALA 46 5.749 -6.511 8.698 364 H LEU 47 H LEU 47 3.190 -7.253 6.125 365 HA LEU 47 HA LEU 47 0.928 -9.059 6.725 366 1HB LEU 47 2HB LEU 47 0.798 -6.507 5.121 367 2HB LEU 47 1HB LEU 47 -0.447 -7.192 6.142 368 HG LEU 47 HG LEU 47 2.162 -5.895 7.088 369 1HD1 LEU 47 1HD1 LEU 47 -0.690 -4.904 7.169 370 2HD1 LEU 47 3HD1 LEU 47 0.717 -4.102 7.859 371 3HD1 LEU 47 2HD1 LEU 47 0.604 -4.320 6.124 372 1HD2 LEU 47 3HD2 LEU 47 -0.257 -6.872 8.663 373 2HD2 LEU 47 2HD2 LEU 47 1.311 -7.663 8.647 374 3HD2 LEU 47 1HD2 LEU 47 1.151 -6.060 9.335 375 H ASN 48 H ASN 48 2.804 -10.206 4.876 376 HA ASN 48 HA ASN 48 1.074 -10.266 2.434 377 1HB ASN 48 2HB ASN 48 3.122 -10.459 1.059 378 2HB ASN 48 1HB ASN 48 3.333 -9.129 2.174 379 1HD2 ASN 48 2HD2 ASN 48 6.328 -10.490 3.252 380 2HD2 ASN 48 1HD2 ASN 48 5.392 -9.099 2.943 381 HA PRO 49 HA PRO 49 -0.073 -14.279 3.011 382 1HB PRO 49 2HB PRO 49 -0.367 -15.265 0.463 383 2HB PRO 49 1HB PRO 49 -1.349 -13.919 1.055 384 1HG PRO 49 2HG PRO 49 1.343 -13.719 -0.427 385 2HG PRO 49 1HG PRO 49 -0.166 -13.033 -0.965 386 1HD PRO 49 2HD PRO 49 1.399 -11.430 0.407 387 2HD PRO 49 1HD PRO 49 -0.287 -11.552 0.958 388 H ALA 50 H ALA 50 2.538 -14.337 0.692 389 HA ALA 50 HA ALA 50 3.471 -16.984 1.673 390 1HB ALA 50 1HB ALA 50 3.274 -16.501 -0.796 391 2HB ALA 50 3HB ALA 50 4.387 -15.153 -0.610 392 3HB ALA 50 2HB ALA 50 4.958 -16.792 -0.356 393 H LYS 51 H LYS 51 3.539 -14.980 3.451 394 HA LYS 51 HA LYS 51 5.004 -13.364 4.496 395 1HB LYS 51 2HB LYS 51 4.092 -15.407 5.717 396 2HB LYS 51 1HB LYS 51 5.588 -16.235 5.356 397 1HG LYS 51 2HG LYS 51 5.695 -15.402 7.642 398 2HG LYS 51 1HG LYS 51 6.877 -14.553 6.667 399 1HD LYS 51 2HD LYS 51 4.985 -12.731 6.303 400 2HD LYS 51 1HD LYS 51 4.114 -13.560 7.574 401 1HE LYS 51 2HE LYS 51 5.887 -13.092 9.143 402 2HE LYS 51 1HE LYS 51 6.946 -12.520 7.849 403 1HZ LYS 51 3HZ LYS 51 4.413 -11.198 7.658 404 2HZ LYS 51 2HZ LYS 51 4.995 -10.966 9.205 405 3HZ LYS 51 1HZ LYS 51 5.960 -10.572 7.851 406 H SER 52 H SER 52 6.247 -13.064 2.498 407 HA SER 52 HA SER 52 9.090 -13.926 2.546 408 1HB SER 52 2HB SER 52 9.248 -12.990 0.297 409 2HB SER 52 1HB SER 52 7.700 -13.809 0.417 410 HG SER 52 HG SER 52 7.294 -11.405 1.444 411 H ALA 53 H ALA 53 10.711 -12.607 2.095 412 HA ALA 53 HA ALA 53 10.835 -9.846 3.302 413 1HB ALA 53 1HB ALA 53 12.928 -12.135 3.324 414 2HB ALA 53 3HB ALA 53 13.154 -10.563 4.081 415 3HB ALA 53 2HB ALA 53 11.958 -11.680 4.714 416 H ASP 54 H ASP 54 12.315 -12.234 1.335 417 HA ASP 54 HA ASP 54 13.860 -10.975 -0.552 418 1HB ASP 54 2HB ASP 54 13.140 -13.179 -1.853 419 2HB ASP 54 1HB ASP 54 13.722 -13.452 -0.220 420 H LEU 55 H LEU 55 10.570 -12.003 -1.301 421 HA LEU 55 HA LEU 55 10.135 -10.278 -3.536 422 1HB LEU 55 2HB LEU 55 8.859 -12.367 -2.928 423 2HB LEU 55 1HB LEU 55 8.165 -11.560 -1.563 424 HG LEU 55 HG LEU 55 6.584 -11.767 -3.480 425 1HD1 LEU 55 1HD1 LEU 55 6.354 -9.874 -1.841 426 2HD1 LEU 55 3HD1 LEU 55 7.294 -8.848 -2.914 427 3HD1 LEU 55 2HD1 LEU 55 5.757 -9.483 -3.444 428 1HD2 LEU 55 1HD2 LEU 55 8.242 -11.508 -5.304 429 2HD2 LEU 55 3HD2 LEU 55 6.951 -10.338 -5.475 430 3HD2 LEU 55 2HD2 LEU 55 8.509 -9.834 -4.858 431 H ALA 56 H ALA 56 8.802 -9.958 -0.271 432 HA ALA 56 HA ALA 56 7.659 -7.532 -0.031 433 1HB ALA 56 1HB ALA 56 9.905 -8.536 1.776 434 2HB ALA 56 3HB ALA 56 8.713 -7.341 2.222 435 3HB ALA 56 2HB ALA 56 8.217 -8.990 1.877 436 H LYS 57 H LYS 57 11.218 -7.695 -0.054 437 HA LYS 57 HA LYS 57 11.245 -4.754 -0.644 438 1HB LYS 57 2HB LYS 57 13.369 -6.786 0.213 439 2HB LYS 57 1HB LYS 57 13.804 -5.145 -0.230 440 1HG LYS 57 2HG LYS 57 12.042 -6.075 2.125 441 2HG LYS 57 1HG LYS 57 13.468 -5.056 2.221 442 1HD LYS 57 2HD LYS 57 12.082 -3.277 0.815 443 2HD LYS 57 1HD LYS 57 10.701 -4.322 1.121 444 1HE LYS 57 2HE LYS 57 10.793 -3.924 3.495 445 2HE LYS 57 1HE LYS 57 12.047 -2.704 3.216 446 1HZ LYS 57 3HZ LYS 57 10.029 -2.413 1.244 447 2HZ LYS 57 2HZ LYS 57 9.231 -2.504 2.671 448 3HZ LYS 57 1HZ LYS 57 10.329 -1.268 2.504 449 H SER 58 H SER 58 12.112 -7.741 -2.345 450 HA SER 58 HA SER 58 13.354 -6.680 -4.625 451 1HB SER 58 2HB SER 58 12.717 -9.133 -4.273 452 2HB SER 58 1HB SER 58 11.050 -8.688 -4.667 453 HG SER 58 HG SER 58 13.249 -8.857 -6.381 454 H LEU 59 H LEU 59 9.973 -6.585 -3.849 455 HA LEU 59 HA LEU 59 9.174 -5.072 -6.251 456 1HB LEU 59 2HB LEU 59 7.668 -5.708 -3.684 457 2HB LEU 59 1HB LEU 59 6.926 -4.956 -5.079 458 HG LEU 59 HG LEU 59 8.081 -7.753 -4.835 459 1HD1 LEU 59 3HD1 LEU 59 5.322 -6.622 -5.481 460 2HD1 LEU 59 2HD1 LEU 59 5.712 -8.328 -5.395 461 3HD1 LEU 59 1HD1 LEU 59 5.795 -7.327 -3.951 462 1HD2 LEU 59 2HD2 LEU 59 6.976 -6.350 -7.300 463 2HD2 LEU 59 1HD2 LEU 59 8.640 -6.874 -7.093 464 3HD2 LEU 59 3HD2 LEU 59 7.362 -8.062 -7.197 465 H SER 60 H SER 60 10.008 -4.202 -3.049 466 HA SER 60 HA SER 60 9.012 -1.630 -2.719 467 1HB SER 60 2HB SER 60 11.705 -2.883 -1.835 468 2HB SER 60 1HB SER 60 11.278 -1.305 -1.297 469 HG SER 60 HG SER 60 9.735 -3.716 -0.760 470 H HIS 61 H HIS 61 9.073 -0.898 -4.902 471 HA HIS 61 HA HIS 61 10.764 0.134 -6.638 472 1HB HIS 61 2HB HIS 61 8.613 1.666 -5.124 473 2HB HIS 61 1HB HIS 61 9.396 2.351 -6.527 474 HD1 HIS 61 HD1 HIS 61 8.173 -1.230 -6.435 475 HD2 HIS 61 HD2 HIS 61 7.358 2.368 -8.147 476 HE1 HIS 61 HE1 HIS 61 6.426 -1.649 -8.145 477 H LYS 62 H LYS 62 10.229 2.790 -4.527 478 HA LYS 62 HA LYS 62 12.937 2.933 -3.484 479 1HB LYS 62 2HB LYS 62 12.059 4.641 -5.773 480 2HB LYS 62 1HB LYS 62 13.092 5.409 -4.599 481 1HG LYS 62 2HG LYS 62 13.712 2.959 -6.335 482 2HG LYS 62 1HG LYS 62 14.494 4.514 -6.369 483 1HD LYS 62 2HD LYS 62 16.117 3.703 -4.992 484 2HD LYS 62 1HD LYS 62 14.970 3.731 -3.679 485 1HE LYS 62 2HE LYS 62 14.909 1.302 -5.493 486 2HE LYS 62 1HE LYS 62 16.318 1.499 -4.480 487 1HZ LYS 62 2HZ LYS 62 14.201 2.038 -2.753 488 2HZ LYS 62 1HZ LYS 62 13.641 0.740 -3.690 489 3HZ LYS 62 3HZ LYS 62 15.069 0.616 -2.800 490 H GLN 63 H GLN 63 13.323 5.316 -2.628 491 HA GLN 63 HA GLN 63 11.001 5.732 -0.887 492 1HB GLN 63 2HB GLN 63 14.008 6.312 -0.572 493 2HB GLN 63 1HB GLN 63 12.860 6.771 0.655 494 1HG GLN 63 2HG GLN 63 14.109 4.553 1.120 495 2HG GLN 63 1HG GLN 63 12.384 4.474 1.268 496 1HE2 GLN 63 2HE2 GLN 63 12.316 1.617 -0.573 497 2HE2 GLN 63 1HE2 GLN 63 11.887 2.490 0.819 498 H LEU 64 H LEU 64 12.124 7.144 -3.284 499 HA LEU 64 HA LEU 64 10.896 9.814 -2.634 500 1HB LEU 64 2HB LEU 64 12.747 10.986 -3.810 501 2HB LEU 64 1HB LEU 64 13.254 10.127 -2.383 502 HG LEU 64 HG LEU 64 13.549 8.809 -5.125 503 1HD1 LEU 64 2HD1 LEU 64 15.479 10.703 -3.695 504 2HD1 LEU 64 1HD1 LEU 64 15.824 9.810 -5.166 505 3HD1 LEU 64 3HD1 LEU 64 14.615 11.074 -5.175 506 1HD2 LEU 64 2HD2 LEU 64 15.175 8.707 -2.524 507 2HD2 LEU 64 1HD2 LEU 64 14.029 7.466 -2.965 508 3HD2 LEU 64 3HD2 LEU 64 15.454 7.722 -3.943 509 H LEU 65 H LEU 65 8.975 9.166 -3.903 510 HA LEU 65 HA LEU 65 9.416 9.416 -6.885 511 1HB LEU 65 2HB LEU 65 8.149 7.377 -5.675 512 2HB LEU 65 1HB LEU 65 6.791 8.450 -5.805 513 HG LEU 65 HG LEU 65 6.665 7.159 -7.756 514 1HD1 LEU 65 3HD1 LEU 65 6.594 9.546 -8.353 515 2HD1 LEU 65 2HD1 LEU 65 8.319 9.544 -8.670 516 3HD1 LEU 65 1HD1 LEU 65 7.244 8.569 -9.633 517 1HD2 LEU 65 3HD2 LEU 65 9.684 7.485 -8.056 518 2HD2 LEU 65 2HD2 LEU 65 8.840 6.027 -7.541 519 3HD2 LEU 65 1HD2 LEU 65 8.630 6.634 -9.166 520 H MET 66 H MET 66 9.452 11.586 -7.017 521 HA MET 66 HA MET 66 6.967 13.188 -6.429 522 1HB MET 66 2HB MET 66 9.029 13.641 -5.299 523 2HB MET 66 1HB MET 66 9.743 13.997 -6.885 524 1HG MET 66 2HG MET 66 8.215 15.886 -7.227 525 2HG MET 66 1HG MET 66 7.330 15.515 -5.783 526 1HE MET 66 2HE MET 66 10.839 16.345 -7.146 527 2HE MET 66 1HE MET 66 9.786 17.748 -7.422 528 3HE MET 66 3HE MET 66 11.148 17.851 -6.316 529 H SER 67 H SER 67 6.598 11.960 -8.358 530 HA SER 67 HA SER 67 7.167 13.334 -10.984 531 1HB SER 67 2HB SER 67 6.372 11.218 -12.042 532 2HB SER 67 1HB SER 67 7.637 10.910 -10.850 533 HG SER 67 HG SER 67 4.993 10.210 -10.759 534 HA PRO 68 HA PRO 68 2.717 14.604 -9.877 535 1HB PRO 68 2HB PRO 68 2.946 17.217 -10.737 536 2HB PRO 68 1HB PRO 68 3.408 16.703 -9.112 537 1HG PRO 68 2HG PRO 68 5.194 16.854 -11.619 538 2HG PRO 68 1HG PRO 68 5.483 17.687 -10.086 539 1HD PRO 68 2HD PRO 68 6.712 15.377 -10.477 540 2HD PRO 68 1HD PRO 68 5.847 15.533 -8.926 541 H GLY 69 H GLY 69 1.941 13.212 -11.421 542 1HA GLY 69 2HA GLY 69 0.364 13.327 -13.397 543 2HA GLY 69 1HA GLY 69 1.534 14.352 -14.201 544 H GLN 70 H GLN 70 3.371 12.150 -12.817 545 HA GLN 70 HA GLN 70 3.258 10.227 -15.109 546 1HB GLN 70 2HB GLN 70 5.129 11.629 -15.450 547 2HB GLN 70 1HB GLN 70 5.538 11.701 -13.766 548 1HG GLN 70 2HG GLN 70 6.192 9.170 -13.915 549 2HG GLN 70 1HG GLN 70 5.924 9.263 -15.644 550 1HE2 GLN 70 2HE2 GLN 70 9.185 10.426 -16.014 551 2HE2 GLN 70 1HE2 GLN 70 7.905 9.515 -16.684 552 H SER 71 H SER 71 3.678 8.125 -14.768 553 HA SER 71 HA SER 71 3.540 7.107 -11.982 554 1HB SER 71 2HB SER 71 2.357 5.144 -13.107 555 2HB SER 71 1HB SER 71 1.525 6.711 -13.177 556 HG SER 71 HG SER 71 2.672 5.268 -15.182 557 H THR 72 H THR 72 3.967 5.026 -11.633 558 HA THR 72 HA THR 72 6.551 3.909 -12.747 559 HB THR 72 HB THR 72 6.854 4.592 -10.440 560 HG1 THR 72 HG1 THR 72 6.732 1.908 -9.988 561 1HG2 THR 72 1HG2 THR 72 4.704 2.522 -9.807 562 2HG2 THR 72 3HG2 THR 72 5.636 3.452 -8.632 563 3HG2 THR 72 2HG2 THR 72 4.477 4.263 -9.662 564 H SER 73 H SER 73 6.300 1.726 -13.516 565 HA SER 73 HA SER 73 3.578 0.451 -13.218 566 1HB SER 73 2HB SER 73 4.122 1.263 -15.429 567 2HB SER 73 1HB SER 73 5.422 0.080 -15.517 568 HG SER 73 HG SER 73 2.703 -0.281 -15.448 569 H THR 74 H THR 74 3.205 -1.721 -12.929 570 HA THR 74 HA THR 74 5.552 -3.565 -12.852 571 HB THR 74 HB THR 74 5.634 -2.942 -10.563 572 HG1 THR 74 HG1 THR 74 5.578 -4.973 -10.163 573 1HG2 THR 74 3HG2 THR 74 3.347 -1.937 -10.368 574 2HG2 THR 74 2HG2 THR 74 2.741 -3.580 -10.287 575 3HG2 THR 74 1HG2 THR 74 3.823 -2.994 -9.047 576 H THR 75 H THR 75 5.249 -5.422 -13.723 577 HA THR 75 HA THR 75 2.478 -6.583 -13.860 578 HB THR 75 HB THR 75 3.585 -5.840 -16.045 579 HG1 THR 75 HG1 THR 75 2.873 -8.580 -15.794 580 1HG2 THR 75 3HG2 THR 75 5.816 -7.123 -15.735 581 2HG2 THR 75 2HG2 THR 75 4.898 -8.612 -15.870 582 3HG2 THR 75 1HG2 THR 75 4.896 -7.482 -17.185 583 H PHE 76 H PHE 76 4.127 -7.244 -11.611 584 HA PHE 76 HA PHE 76 5.617 -9.328 -11.091 585 1HB PHE 76 2HB PHE 76 2.814 -9.930 -10.132 586 2HB PHE 76 1HB PHE 76 4.325 -10.284 -9.388 587 HD1 PHE 76 HD1 PHE 76 5.438 -7.312 -9.811 588 HD2 PHE 76 HD2 PHE 76 1.970 -9.036 -8.077 589 HE1 PHE 76 HE1 PHE 76 5.222 -5.374 -8.277 590 HE2 PHE 76 HE2 PHE 76 1.770 -7.113 -6.563 591 HZ PHE 76 HZ PHE 76 3.397 -5.280 -6.688 592 HA PRO 77 HA PRO 77 4.500 -13.151 -13.094 593 1HB PRO 77 2HB PRO 77 7.224 -13.467 -14.009 594 2HB PRO 77 1HB PRO 77 5.756 -13.378 -14.943 595 1HG PRO 77 2HG PRO 77 7.646 -11.219 -15.008 596 2HG PRO 77 1HG PRO 77 5.919 -10.958 -15.256 597 1HD PRO 77 2HD PRO 77 7.387 -10.707 -12.541 598 2HD PRO 77 1HD PRO 77 6.315 -9.519 -13.327 599 H ALA 78 H ALA 78 7.872 -12.791 -12.520 600 HA ALA 78 HA ALA 78 9.032 -14.565 -11.062 601 1HB ALA 78 1HB ALA 78 9.829 -12.121 -11.014 602 2HB ALA 78 3HB ALA 78 8.598 -11.780 -9.800 603 3HB ALA 78 2HB ALA 78 9.930 -12.851 -9.418 604 H ASP 79 H ASP 79 7.517 -16.004 -10.691 605 HA ASP 79 HA ASP 79 5.213 -16.148 -9.495 606 1HB ASP 79 2HB ASP 79 7.817 -17.897 -8.880 607 2HB ASP 79 1HB ASP 79 6.226 -18.647 -8.964 608 H ALA 80 H ALA 80 5.040 -14.553 -8.734 609 HA ALA 80 HA ALA 80 5.283 -14.070 -5.818 610 1HB ALA 80 1HB ALA 80 4.502 -12.342 -8.219 611 2HB ALA 80 3HB ALA 80 4.617 -11.701 -6.593 612 3HB ALA 80 2HB ALA 80 6.045 -12.296 -7.411 613 HA PRO 81 HA PRO 81 1.380 -16.008 -6.935 614 1HB PRO 81 2HB PRO 81 1.161 -17.990 -5.218 615 2HB PRO 81 1HB PRO 81 2.600 -17.867 -6.228 616 1HG PRO 81 2HG PRO 81 2.263 -16.719 -3.366 617 2HG PRO 81 1HG PRO 81 3.491 -17.884 -3.879 618 1HD PRO 81 2HD PRO 81 4.006 -15.168 -3.884 619 2HD PRO 81 1HD PRO 81 4.685 -16.234 -5.132 620 H ALA 82 H ALA 82 -0.705 -16.709 -6.228 621 HA ALA 82 HA ALA 82 -2.593 -15.075 -5.708 622 1HB ALA 82 2HB ALA 82 -2.331 -17.717 -4.295 623 2HB ALA 82 1HB ALA 82 -3.865 -16.885 -4.486 624 3HB ALA 82 3HB ALA 82 -2.965 -17.436 -5.889 625 H GLY 83 H GLY 83 -2.206 -13.046 -4.379 626 1HA GLY 83 2HA GLY 83 -3.539 -12.907 -1.966 627 2HA GLY 83 1HA GLY 83 -2.043 -13.555 -1.428 628 H GLU 84 H GLU 84 -2.713 -11.880 -0.091 629 HA GLU 84 HA GLU 84 -2.660 -9.166 -0.312 630 1HB GLU 84 2HB GLU 84 -1.726 -10.674 2.188 631 2HB GLU 84 1HB GLU 84 -2.684 -9.231 2.127 632 1HG GLU 84 2HG GLU 84 -3.575 -12.070 1.700 633 2HG GLU 84 1HG GLU 84 -4.407 -10.786 2.516 634 H TYR 85 H TYR 85 -0.370 -9.028 -1.733 635 HA TYR 85 HA TYR 85 1.843 -8.446 0.240 636 1HB TYR 85 2HB TYR 85 1.823 -7.887 -2.789 637 2HB TYR 85 1HB TYR 85 3.246 -7.902 -1.757 638 HD1 TYR 85 HD1 TYR 85 0.556 -9.915 -3.185 639 HD2 TYR 85 HD2 TYR 85 4.208 -10.051 -1.009 640 HE1 TYR 85 HE1 TYR 85 0.637 -12.353 -3.432 641 HE2 TYR 85 HE2 TYR 85 4.250 -12.523 -1.303 642 HH TYR 85 HH TYR 85 1.606 -14.012 -3.152 643 H THR 86 H THR 86 2.388 -6.381 1.079 644 HA THR 86 HA THR 86 0.544 -4.180 0.248 645 HB THR 86 HB THR 86 2.286 -4.028 2.737 646 HG1 THR 86 HG1 THR 86 1.252 -5.646 3.214 647 1HG2 THR 86 1HG2 THR 86 0.895 -2.025 2.014 648 2HG2 THR 86 3HG2 THR 86 -0.522 -3.040 2.141 649 3HG2 THR 86 2HG2 THR 86 0.445 -2.721 3.560 650 H PHE 87 H PHE 87 1.152 -2.307 -0.360 651 HA PHE 87 HA PHE 87 3.931 -1.673 -0.917 652 1HB PHE 87 2HB PHE 87 2.572 0.093 -2.450 653 2HB PHE 87 1HB PHE 87 3.221 -1.434 -3.018 654 HD1 PHE 87 HD1 PHE 87 1.700 -3.422 -2.933 655 HD2 PHE 87 HD2 PHE 87 0.341 0.559 -2.522 656 HE1 PHE 87 HE1 PHE 87 -0.520 -4.148 -3.553 657 HE2 PHE 87 HE2 PHE 87 -1.909 -0.118 -3.138 658 HZ PHE 87 HZ PHE 87 -2.393 -2.496 -3.675 659 H TYR 88 H TYR 88 4.481 -0.071 0.751 660 HA TYR 88 HA TYR 88 2.418 1.962 1.393 661 1HB TYR 88 2HB TYR 88 3.523 2.126 3.593 662 2HB TYR 88 1HB TYR 88 2.743 0.594 3.226 663 HD1 TYR 88 HD1 TYR 88 4.145 -1.336 2.404 664 HD2 TYR 88 HD2 TYR 88 5.842 2.211 4.031 665 HE1 TYR 88 HE1 TYR 88 6.241 -2.495 2.750 666 HE2 TYR 88 HE2 TYR 88 7.921 1.009 4.374 667 HH TYR 88 HH TYR 88 9.001 -0.612 3.889 668 H CYS 89 H CYS 89 3.220 4.119 1.834 669 HA CYS 89 HA CYS 89 5.641 4.866 0.246 670 1HB CYS 89 2HB CYS 89 3.378 5.782 -0.184 671 2HB CYS 89 1HB CYS 89 3.383 6.484 1.414 672 H GLU 90 H GLU 90 7.092 4.042 1.977 673 HA GLU 90 HA GLU 90 7.521 4.754 4.542 674 1HB GLU 90 2HB GLU 90 9.572 4.657 2.259 675 2HB GLU 90 1HB GLU 90 10.057 4.809 3.927 676 1HG GLU 90 2HG GLU 90 8.857 2.746 4.519 677 2HG GLU 90 1HG GLU 90 8.243 2.572 2.889 678 HA PRO 91 HA PRO 91 9.164 9.408 3.662 679 1HB PRO 91 2HB PRO 91 7.686 10.324 1.421 680 2HB PRO 91 1HB PRO 91 9.405 9.920 1.426 681 1HG PRO 91 2HG PRO 91 7.054 8.058 0.752 682 2HG PRO 91 1HG PRO 91 8.516 8.345 -0.202 683 1HD PRO 91 2HD PRO 91 8.509 6.191 1.317 684 2HD PRO 91 1HD PRO 91 9.920 7.257 1.504 685 H HIS 92 HN HIP 92 6.044 8.349 2.747 686 HA HIS 92 HA HIP 92 4.590 10.169 4.627 687 1HB HIS 92 2HB HIP 92 3.658 8.707 2.139 688 2HB HIS 92 1HB HIP 92 2.616 9.696 3.122 689 HD2 HIS 92 HD2 HIP 92 5.253 12.082 3.300 690 HE1 HIS 92 HE1 HIP 92 3.919 12.525 -0.621 691 HE2 HIS 92 HE2 HIP 92 5.178 13.525 1.165 692 H ARG 93 H ARG 93 5.570 7.709 5.874 693 HA ARG 93 HA ARG 93 3.262 5.885 5.955 694 1HB ARG 93 2HB ARG 93 4.561 4.964 8.097 695 2HB ARG 93 1HB ARG 93 5.231 4.728 6.507 696 1HG ARG 93 2HG ARG 93 6.932 5.416 8.178 697 2HG ARG 93 1HG ARG 93 6.853 6.473 6.811 698 1HD ARG 93 2HD ARG 93 5.355 8.010 8.276 699 2HD ARG 93 1HD ARG 93 5.834 6.984 9.626 700 HE ARG 93 HE ARG 93 8.261 7.579 9.030 701 1HH1 ARG 93 1HH2 ARG 93 7.876 8.383 6.414 702 2HH1 ARG 93 2HH2 ARG 93 7.876 10.094 6.440 703 1HH2 ARG 93 2HH1 ARG 93 7.315 9.954 9.868 704 2HH2 ARG 93 1HH1 ARG 93 7.589 11.067 8.562 705 H GLY 94 H GLY 94 1.991 5.420 7.909 706 1HA GLY 94 2HA GLY 94 0.861 6.107 9.988 707 2HA GLY 94 1HA GLY 94 1.669 7.670 9.881 708 H ALA 95 H ALA 95 1.107 8.568 7.556 709 HA ALA 95 HA ALA 95 -1.718 9.345 7.677 710 1HB ALA 95 3HB ALA 95 0.572 10.100 5.794 711 2HB ALA 95 2HB ALA 95 -0.965 10.932 5.864 712 3HB ALA 95 1HB ALA 95 0.122 10.982 7.247 713 H GLY 96 H GLY 96 -2.154 7.068 7.338 714 1HA GLY 96 2HA GLY 96 -2.757 5.111 6.005 715 2HA GLY 96 1HA GLY 96 -3.879 6.309 5.437 716 H MET 97 H MET 97 -0.516 6.267 4.538 717 HA MET 97 HA MET 97 -1.331 5.766 1.697 718 1HB MET 97 2HB MET 97 -0.196 7.931 2.525 719 2HB MET 97 1HB MET 97 1.247 6.994 2.829 720 1HG MET 97 2HG MET 97 1.531 6.527 0.488 721 2HG MET 97 1HG MET 97 -0.124 6.887 0.173 722 1HE MET 97 3HE MET 97 -1.128 8.649 -0.526 723 2HE MET 97 2HE MET 97 -0.440 10.167 -1.028 724 3HE MET 97 1HE MET 97 -0.009 8.701 -1.907 725 H VAL 98 H VAL 98 -1.442 3.771 3.200 726 HA VAL 98 HA VAL 98 0.748 1.804 2.720 727 HB VAL 98 HB VAL 98 -0.415 0.606 4.619 728 1HG1 VAL 98 2HG1 VAL 98 0.955 3.309 5.112 729 2HG1 VAL 98 1HG1 VAL 98 0.832 2.012 6.293 730 3HG1 VAL 98 3HG1 VAL 98 1.798 1.790 4.855 731 1HG2 VAL 98 3HG2 VAL 98 -2.477 1.986 4.741 732 2HG2 VAL 98 2HG2 VAL 98 -1.584 2.051 6.242 733 3HG2 VAL 98 1HG2 VAL 98 -1.516 3.400 5.131 734 H GLY 99 H GLY 99 -0.124 0.697 0.559 735 1HA GLY 99 2HA GLY 99 -2.976 -0.346 0.957 736 2HA GLY 99 1HA GLY 99 -2.406 0.240 -0.587 737 H LYS 100 H LYS 100 -3.502 -2.355 -0.352 738 HA LYS 100 HA LYS 100 -1.047 -3.871 -1.055 739 1HB LYS 100 2HB LYS 100 -1.820 -5.886 0.139 740 2HB LYS 100 1HB LYS 100 -1.459 -4.590 1.255 741 1HG LYS 100 2HG LYS 100 -3.774 -4.188 1.718 742 2HG LYS 100 1HG LYS 100 -4.305 -5.024 0.286 743 1HD LYS 100 2HD LYS 100 -4.726 -6.417 2.354 744 2HD LYS 100 1HD LYS 100 -3.684 -7.249 1.249 745 1HE LYS 100 2HE LYS 100 -2.574 -5.619 3.581 746 2HE LYS 100 1HE LYS 100 -3.059 -7.301 3.769 747 1HZ LYS 100 2HZ LYS 100 -1.490 -7.219 1.452 748 2HZ LYS 100 1HZ LYS 100 -0.688 -6.260 2.555 749 3HZ LYS 100 3HZ LYS 100 -0.958 -7.843 2.896 750 H ILE 101 H ILE 101 -1.237 -5.705 -2.112 751 HA ILE 101 HA ILE 101 -3.543 -5.893 -3.938 752 HB ILE 101 HB ILE 101 -1.442 -5.360 -5.025 753 1HG1 ILE 101 2HG1 ILE 101 -2.383 -8.282 -5.378 754 2HG1 ILE 101 1HG1 ILE 101 -2.874 -6.899 -6.277 755 1HG2 ILE 101 1HG2 ILE 101 0.119 -6.301 -3.445 756 2HG2 ILE 101 3HG2 ILE 101 -0.360 -7.932 -3.988 757 3HG2 ILE 101 2HG2 ILE 101 0.437 -6.804 -5.087 758 1HD1 ILE 101 1HD1 ILE 101 -0.267 -7.012 -7.163 759 2HD1 ILE 101 3HD1 ILE 101 -0.149 -8.451 -6.220 760 3HD1 ILE 101 2HD1 ILE 101 -1.214 -8.431 -7.600 761 H THR 102 H THR 102 -4.400 -7.638 -4.276 762 HA THR 102 HA THR 102 -4.062 -10.116 -2.597 763 HB THR 102 HB THR 102 -6.528 -9.210 -4.194 764 HG1 THR 102 HG1 THR 102 -5.831 -8.992 -1.461 765 1HG2 THR 102 2HG2 THR 102 -6.376 -11.651 -3.354 766 2HG2 THR 102 1HG2 THR 102 -6.290 -10.989 -1.748 767 3HG2 THR 102 3HG2 THR 102 -7.721 -10.736 -2.692 768 H VAL 103 H VAL 103 -2.382 -10.974 -4.296 769 HA VAL 103 HA VAL 103 -3.393 -10.743 -7.105 770 HB VAL 103 HB VAL 103 -1.121 -10.250 -6.511 771 1HG1 VAL 103 3HG1 VAL 103 -0.778 -11.761 -4.624 772 2HG1 VAL 103 2HG1 VAL 103 -0.840 -13.156 -5.699 773 3HG1 VAL 103 1HG1 VAL 103 0.479 -12.022 -5.809 774 1HG2 VAL 103 2HG2 VAL 103 -1.404 -11.267 -8.758 775 2HG2 VAL 103 1HG2 VAL 103 0.138 -11.748 -8.092 776 3HG2 VAL 103 3HG2 VAL 103 -1.197 -12.872 -8.106 777 H ALA 104 H ALA 104 -3.348 -12.748 -8.442 778 HA ALA 104 HA ALA 104 -4.523 -15.094 -7.028 779 1HB ALA 104 3HB ALA 104 -6.180 -13.731 -8.311 780 2HB ALA 104 2HB ALA 104 -5.186 -13.875 -9.750 781 3HB ALA 104 1HB ALA 104 -5.975 -15.299 -9.082 782 H GLY 105 HN GLY 105 -3.588 -17.094 -7.627 783 1HA GLY 105 2HA GLY 105 -2.442 -18.431 -9.469 784 2HA GLY 105 1HA GLY 105 -1.320 -17.067 -9.592 No H/Q in entry = 784
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