NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
143687 | 2kfd | 16176 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 5 H ASN 5 19.226 -2.082 -0.799 2 HA ASN 5 HA ASN 5 17.937 -4.346 0.462 3 HB2 ASN 5 2HB ASN 5 19.918 -3.471 1.538 4 HB3 ASN 5 1HB ASN 5 19.209 -1.861 1.622 5 HD21 ASN 5 1HD2 ASN 5 18.952 -5.156 2.777 6 HD22 ASN 5 2HD2 ASN 5 18.103 -4.777 4.237 7 H GLU 6 H GLU 6 17.337 -0.961 -0.232 8 HA GLU 6 HA GLU 6 14.847 -0.938 1.182 9 HB2 GLU 6 2HB GLU 6 14.429 1.167 -0.267 10 HB3 GLU 6 1HB GLU 6 15.652 1.215 0.986 11 HG2 GLU 6 2HG GLU 6 16.330 2.345 -1.080 12 HG3 GLU 6 1HG GLU 6 17.412 1.028 -0.641 13 H ARG 7 H ARG 7 15.940 -1.844 -1.955 14 HA ARG 7 HA ARG 7 13.444 -2.127 -3.219 15 HB2 ARG 7 2HB ARG 7 16.116 -3.468 -3.555 16 HB3 ARG 7 1HB ARG 7 14.738 -3.950 -4.524 17 HG2 ARG 7 2HG ARG 7 16.175 -1.322 -4.488 18 HG3 ARG 7 1HG ARG 7 15.899 -2.410 -5.850 19 HD2 ARG 7 2HD ARG 7 13.397 -1.934 -5.434 20 HD3 ARG 7 1HD ARG 7 13.966 -0.564 -4.484 21 HE ARG 7 HE ARG 7 14.414 -0.937 -7.374 22 HH11 ARG 7 1HH1 ARG 7 14.418 1.135 -4.544 23 HH12 ARG 7 2HH1 ARG 7 14.376 2.598 -5.477 24 HH21 ARG 7 1HH2 ARG 7 14.397 0.981 -8.595 25 HH22 ARG 7 2HH2 ARG 7 14.389 2.516 -7.779 26 H ARG 8 H ARG 8 15.381 -4.332 -1.254 27 HA ARG 8 HA ARG 8 13.607 -6.510 -1.235 28 HB2 ARG 8 2HB ARG 8 15.877 -6.804 -0.541 29 HB3 ARG 8 1HB ARG 8 15.728 -5.571 0.698 30 HG2 ARG 8 2HG ARG 8 14.332 -7.002 2.030 31 HG3 ARG 8 1HG ARG 8 14.275 -8.209 0.741 32 HD2 ARG 8 2HD ARG 8 16.577 -8.712 0.982 33 HD3 ARG 8 1HD ARG 8 16.853 -7.301 1.998 34 HE ARG 8 HE ARG 8 15.460 -8.472 3.698 35 HH11 ARG 8 1HH1 ARG 8 17.054 -10.325 1.180 36 HH12 ARG 8 2HH1 ARG 8 17.237 -11.741 2.176 37 HH21 ARG 8 1HH2 ARG 8 15.728 -10.336 5.004 38 HH22 ARG 8 2HH2 ARG 8 16.504 -11.746 4.340 39 H ILE 9 H ILE 9 13.895 -3.678 0.864 40 HA ILE 9 HA ILE 9 11.873 -4.414 2.698 41 HB ILE 9 HB ILE 9 13.084 -1.769 1.929 42 HG12 ILE 9 2HG1 ILE 9 13.344 -3.382 4.464 43 HG13 ILE 9 1HG1 ILE 9 14.478 -3.456 3.117 44 HG21 ILE 9 1HG2 ILE 9 10.822 -1.320 2.710 45 HG22 ILE 9 2HG2 ILE 9 12.010 -0.783 3.898 46 HG23 ILE 9 3HG2 ILE 9 11.117 -2.282 4.159 47 HD11 ILE 9 3HD1 ILE 9 14.899 -1.044 3.399 48 HD12 ILE 9 1HD1 ILE 9 15.352 -2.001 4.811 49 HD13 ILE 9 2HD1 ILE 9 13.860 -1.059 4.823 50 H LEU 10 H LEU 10 11.848 -2.436 -0.238 51 HA LEU 10 HA LEU 10 9.252 -1.482 -0.116 52 HB2 LEU 10 2HB LEU 10 11.091 -0.777 -1.645 53 HB3 LEU 10 1HB LEU 10 10.797 -2.219 -2.596 54 HG LEU 10 HG LEU 10 8.489 -1.404 -3.050 55 HD11 LEU 10 1HD1 LEU 10 8.082 -0.005 -1.172 56 HD12 LEU 10 2HD1 LEU 10 8.105 1.051 -2.589 57 HD13 LEU 10 3HD1 LEU 10 9.504 0.977 -1.512 58 HD21 LEU 10 3HD2 LEU 10 9.183 0.353 -4.627 59 HD22 LEU 10 1HD2 LEU 10 10.293 -1.021 -4.642 60 HD23 LEU 10 2HD2 LEU 10 10.741 0.465 -3.805 61 H GLU 11 H GLU 11 10.473 -4.528 -1.476 62 HA GLU 11 HA GLU 11 7.960 -5.344 -2.554 63 HB2 GLU 11 2HB GLU 11 10.468 -6.885 -1.859 64 HB3 GLU 11 1HB GLU 11 9.076 -7.610 -2.653 65 HG2 GLU 11 2HG GLU 11 10.579 -5.253 -3.758 66 HG3 GLU 11 1HG GLU 11 10.939 -6.928 -4.171 67 H GLN 12 H GLN 12 9.665 -6.035 0.476 68 HA GLN 12 HA GLN 12 7.797 -7.748 1.639 69 HB2 GLN 12 2HB GLN 12 9.863 -7.461 2.750 70 HB3 GLN 12 1HB GLN 12 9.690 -5.714 2.800 71 HG2 GLN 12 2HG GLN 12 9.359 -6.572 4.999 72 HG3 GLN 12 1HG GLN 12 7.811 -5.992 4.391 73 HE21 GLN 12 1HE2 GLN 12 6.166 -7.465 3.974 74 HE22 GLN 12 2HE2 GLN 12 6.223 -9.098 4.566 75 H LYS 13 H LYS 13 7.966 -4.198 1.691 76 HA LYS 13 HA LYS 13 5.572 -3.921 3.202 77 HB2 LYS 13 2HB LYS 13 7.556 -2.152 2.066 78 HB3 LYS 13 1HB LYS 13 5.934 -1.529 1.791 79 HG2 LYS 13 2HG LYS 13 6.657 -0.608 3.843 80 HG3 LYS 13 1HG LYS 13 5.499 -1.874 4.247 81 HD2 LYS 13 2HD LYS 13 7.408 -3.412 4.670 82 HD3 LYS 13 1HD LYS 13 8.510 -2.062 4.399 83 HE2 LYS 13 2HE LYS 13 8.257 -2.226 6.740 84 HE3 LYS 13 1HE LYS 13 7.264 -0.853 6.249 85 HZ1 LYS 13 3HZ LYS 13 5.317 -2.350 6.292 86 HZ2 LYS 13 1HZ LYS 13 6.064 -2.198 7.808 87 HZ3 LYS 13 2HZ LYS 13 6.310 -3.594 6.887 88 H LYS 14 H LYS 14 6.288 -4.059 -0.229 89 HA LYS 14 HA LYS 14 3.907 -3.230 -1.336 90 HB2 LYS 14 2HB LYS 14 6.042 -4.066 -2.483 91 HB3 LYS 14 1HB LYS 14 5.379 -5.684 -2.271 92 HG2 LYS 14 2HG LYS 14 3.439 -5.114 -3.576 93 HG3 LYS 14 1HG LYS 14 4.008 -3.452 -3.750 94 HD2 LYS 14 2HD LYS 14 5.881 -5.577 -4.589 95 HD3 LYS 14 1HD LYS 14 4.435 -5.374 -5.579 96 HE2 LYS 14 2HE LYS 14 4.962 -3.050 -5.947 97 HE3 LYS 14 1HE LYS 14 6.343 -3.142 -4.853 98 HZ1 LYS 14 3HZ LYS 14 6.069 -4.744 -7.337 99 HZ2 LYS 14 1HZ LYS 14 7.443 -4.635 -6.342 100 HZ3 LYS 14 2HZ LYS 14 6.924 -3.289 -7.242 101 H HIS 15 H HIS 15 4.730 -6.536 -0.244 102 HA HIS 15 HA HIS 15 2.127 -7.562 -0.705 103 HB2 HIS 15 2HB HIS 15 3.953 -9.120 -0.613 104 HB3 HIS 15 1HB HIS 15 4.398 -8.596 1.007 105 HD1 HIS 15 1HD HIS 15 4.113 -10.854 2.124 106 HD2 HIS 15 2HD HIS 15 0.680 -9.583 0.140 107 HE1 HIS 15 1HE HIS 15 2.288 -12.443 2.828 108 HE2 HIS 15 2HE HIS 15 0.198 -11.609 1.687 109 H TYR 16 H TYR 16 3.689 -6.161 2.147 110 HA TYR 16 HA TYR 16 1.589 -6.955 3.909 111 HB2 TYR 16 2HB TYR 16 4.150 -6.157 4.300 112 HB3 TYR 16 1HB TYR 16 3.293 -4.678 4.719 113 HD1 TYR 16 1HD TYR 16 1.179 -7.380 5.334 114 HD2 TYR 16 2HD TYR 16 4.560 -5.382 6.958 115 HE1 TYR 16 1HE TYR 16 0.669 -8.334 7.535 116 HE2 TYR 16 2HE TYR 16 4.061 -6.333 9.174 117 HH TYR 16 HH TYR 16 1.996 -7.216 10.374 118 H PHE 17 H PHE 17 2.202 -4.066 1.987 119 HA PHE 17 HA PHE 17 0.127 -2.521 3.251 120 HB2 PHE 17 2HB PHE 17 2.027 -1.460 2.067 121 HB3 PHE 17 1HB PHE 17 1.434 -2.138 0.566 122 HD1 PHE 17 2HD PHE 17 0.073 -0.203 3.411 123 HD2 PHE 17 1HD PHE 17 0.283 -0.691 -0.822 124 HE1 PHE 17 2HE PHE 17 -1.346 1.798 3.124 125 HE2 PHE 17 1HE PHE 17 -1.155 1.277 -1.114 126 HZ PHE 17 HZ PHE 17 -1.976 2.527 0.852 127 H TRP 18 H TRP 18 0.382 -4.801 0.630 128 HA TRP 18 HA TRP 18 -2.285 -4.369 -0.380 129 HB2 TRP 18 2HB TRP 18 -0.403 -5.554 -1.636 130 HB3 TRP 18 1HB TRP 18 -0.655 -6.913 -0.562 131 HD1 TRP 18 HD TRP 18 -0.948 -8.102 -3.047 132 HE1 TRP 18 1HE TRP 18 -3.088 -8.577 -4.381 133 HE3 TRP 18 3HE TRP 18 -4.158 -4.714 -0.833 134 HZ2 TRP 18 2HZ TRP 18 -5.720 -7.710 -4.497 135 HZ3 TRP 18 3HZ TRP 18 -6.491 -4.623 -1.689 136 HH2 TRP 18 HH TRP 18 -7.231 -6.092 -3.457 137 H LEU 19 H LEU 19 -0.727 -6.145 2.136 138 HA LEU 19 HA LEU 19 -2.926 -7.847 2.818 139 HB2 LEU 19 2HB LEU 19 -0.382 -8.086 3.399 140 HB3 LEU 19 1HB LEU 19 -0.744 -6.996 4.717 141 HG LEU 19 HG LEU 19 -2.406 -9.460 4.437 142 HD11 LEU 19 1HD1 LEU 19 -0.769 -10.681 5.830 143 HD12 LEU 19 2HD1 LEU 19 0.387 -9.372 5.575 144 HD13 LEU 19 3HD1 LEU 19 -0.169 -10.339 4.208 145 HD21 LEU 19 3HD2 LEU 19 -2.474 -9.264 6.859 146 HD22 LEU 19 1HD2 LEU 19 -2.941 -7.742 6.098 147 HD23 LEU 19 2HD2 LEU 19 -1.332 -7.921 6.792 148 H LEU 20 H LEU 20 -1.651 -4.789 3.802 149 HA LEU 20 HA LEU 20 -3.550 -4.112 5.836 150 HB2 LEU 20 2HB LEU 20 -1.221 -3.216 5.402 151 HB3 LEU 20 1HB LEU 20 -1.875 -2.305 4.060 152 HG LEU 20 HG LEU 20 -1.500 -0.922 6.003 153 HD11 LEU 20 1HD1 LEU 20 -3.322 -0.243 4.577 154 HD12 LEU 20 2HD1 LEU 20 -3.720 0.092 6.265 155 HD13 LEU 20 3HD1 LEU 20 -4.441 -1.296 5.444 156 HD21 LEU 20 3HD2 LEU 20 -1.635 -2.231 7.867 157 HD22 LEU 20 1HD2 LEU 20 -3.127 -3.034 7.339 158 HD23 LEU 20 2HD2 LEU 20 -3.185 -1.381 7.958 159 H LEU 21 H LEU 21 -3.281 -3.236 2.355 160 HA LEU 21 HA LEU 21 -5.564 -1.563 2.345 161 HB2 LEU 21 2HB LEU 21 -3.473 -1.652 0.858 162 HB3 LEU 21 1HB LEU 21 -4.272 -2.907 -0.016 163 HG LEU 21 HG LEU 21 -4.786 -1.110 -1.350 164 HD11 LEU 21 1HD1 LEU 21 -7.011 -0.200 -0.924 165 HD12 LEU 21 2HD1 LEU 21 -6.968 -0.847 0.719 166 HD13 LEU 21 3HD1 LEU 21 -6.963 -1.944 -0.661 167 HD21 LEU 21 3HD2 LEU 21 -4.790 0.576 1.136 168 HD22 LEU 21 1HD2 LEU 21 -5.050 1.173 -0.506 169 HD23 LEU 21 2HD2 LEU 21 -3.507 0.435 -0.067 170 H GLN 22 H GLN 22 -4.992 -4.993 1.730 171 HA GLN 22 HA GLN 22 -7.670 -5.515 0.792 172 HB2 GLN 22 2HB GLN 22 -5.824 -6.985 0.141 173 HB3 GLN 22 1HB GLN 22 -5.521 -7.379 1.825 174 HG2 GLN 22 2HG GLN 22 -7.805 -8.381 1.929 175 HG3 GLN 22 1HG GLN 22 -7.928 -8.129 0.186 176 HE21 GLN 22 1HE2 GLN 22 -6.621 -9.355 -1.194 177 HE22 GLN 22 2HE2 GLN 22 -5.850 -10.807 -0.670 178 H ARG 23 H ARG 23 -5.938 -5.775 3.855 179 HA ARG 23 HA ARG 23 -7.884 -7.012 5.421 180 HB2 ARG 23 2HB ARG 23 -5.496 -6.476 6.050 181 HB3 ARG 23 1HB ARG 23 -5.998 -4.816 6.292 182 HG2 ARG 23 2HG ARG 23 -7.583 -6.758 7.758 183 HG3 ARG 23 1HG ARG 23 -5.886 -6.706 8.227 184 HD2 ARG 23 2HD ARG 23 -7.984 -4.599 8.342 185 HD3 ARG 23 1HD ARG 23 -6.862 -5.134 9.593 186 HE ARG 23 HE ARG 23 -5.285 -4.068 7.596 187 HH11 ARG 23 1HH1 ARG 23 -7.872 -3.002 9.718 188 HH12 ARG 23 2HH1 ARG 23 -7.336 -1.350 9.707 189 HH21 ARG 23 1HH2 ARG 23 -4.654 -1.963 7.539 190 HH22 ARG 23 2HH2 ARG 23 -5.515 -0.777 8.429 191 H THR 24 H THR 24 -7.359 -3.606 4.679 192 HA THR 24 HA THR 24 -9.709 -2.745 6.061 193 HB THR 24 HB THR 24 -8.213 -1.231 3.920 194 HG1 THR 24 1HG THR 24 -6.614 -1.355 5.318 195 HG21 THR 24 3HG2 THR 24 -9.961 -0.385 6.229 196 HG22 THR 24 1HG2 THR 24 -10.337 -0.243 4.505 197 HG23 THR 24 2HG2 THR 24 -9.036 0.723 5.216 198 H TYR 25 H TYR 25 -8.838 -2.788 2.597 199 HA TYR 25 HA TYR 25 -11.710 -2.831 1.964 200 HB2 TYR 25 2HB TYR 25 -9.450 -2.038 0.119 201 HB3 TYR 25 1HB TYR 25 -11.171 -1.822 -0.158 202 HD1 TYR 25 2HD TYR 25 -11.793 -0.735 2.679 203 HD2 TYR 25 1HD TYR 25 -8.790 0.218 -0.177 204 HE1 TYR 25 2HE TYR 25 -11.647 1.535 3.595 205 HE2 TYR 25 1HE TYR 25 -8.641 2.494 0.741 206 HH TYR 25 HH TYR 25 -9.803 4.026 2.006 207 H THR 26 H THR 26 -11.938 -5.053 2.143 208 HA THR 26 HA THR 26 -10.184 -6.869 0.751 209 HB THR 26 HB THR 26 -12.760 -7.851 1.836 210 HG1 THR 26 1HG THR 26 -10.724 -6.651 3.454 211 HG21 THR 26 3HG2 THR 26 -11.286 -9.538 2.843 212 HG22 THR 26 1HG2 THR 26 -9.872 -8.650 2.267 213 HG23 THR 26 2HG2 THR 26 -10.987 -9.381 1.113 214 H LYS 27 H LYS 27 -12.040 -8.828 -0.060 215 HA LYS 27 HA LYS 27 -12.835 -7.900 -2.621 216 HB2 LYS 27 2HB LYS 27 -14.152 -10.329 -1.586 217 HB3 LYS 27 1HB LYS 27 -13.266 -10.081 -3.083 218 HG2 LYS 27 2HG LYS 27 -11.153 -10.178 -1.743 219 HG3 LYS 27 1HG LYS 27 -12.136 -10.649 -0.358 220 HD2 LYS 27 2HD LYS 27 -12.930 -12.608 -1.512 221 HD3 LYS 27 1HD LYS 27 -12.096 -12.122 -2.987 222 HE2 LYS 27 2HE LYS 27 -9.945 -12.333 -1.805 223 HE3 LYS 27 1HE LYS 27 -10.808 -12.888 -0.370 224 HZ1 LYS 27 3HZ LYS 27 -9.829 -14.639 -1.909 225 HZ2 LYS 27 1HZ LYS 27 -11.092 -14.260 -2.979 226 HZ3 LYS 27 2HZ LYS 27 -11.440 -14.854 -1.428 227 H THR 28 H THR 28 -14.739 -9.083 0.132 228 HA THR 28 HA THR 28 -17.106 -7.782 -0.985 229 HB THR 28 HB THR 28 -17.277 -10.186 -0.493 230 HG1 THR 28 1HG THR 28 -19.281 -9.680 -0.123 231 HG21 THR 28 3HG2 THR 28 -16.747 -9.354 2.358 232 HG22 THR 28 1HG2 THR 28 -15.722 -10.371 1.346 233 HG23 THR 28 2HG2 THR 28 -17.305 -10.951 1.862 234 H GLY 29 H GLY 29 -15.013 -7.772 1.833 235 HA2 GLY 29 2HA GLY 29 -16.444 -6.464 3.675 236 HA3 GLY 29 1HA GLY 29 -14.720 -6.285 3.504 237 H LYS 30 H LYS 30 -13.947 -4.628 2.029 238 HA LYS 30 HA LYS 30 -15.862 -2.443 1.624 239 HB2 LYS 30 2HB LYS 30 -13.016 -2.314 2.620 240 HB3 LYS 30 1HB LYS 30 -13.854 -0.908 1.978 241 HG2 LYS 30 2HG LYS 30 -14.779 -2.547 4.329 242 HG3 LYS 30 1HG LYS 30 -13.917 -1.007 4.426 243 HD2 LYS 30 2HD LYS 30 -15.708 0.152 3.367 244 HD3 LYS 30 1HD LYS 30 -16.519 -1.360 2.956 245 HE2 LYS 30 2HE LYS 30 -16.878 -1.810 5.329 246 HE3 LYS 30 1HE LYS 30 -16.067 -0.301 5.738 247 HZ1 LYS 30 3HZ LYS 30 -17.790 0.919 4.591 248 HZ2 LYS 30 1HZ LYS 30 -18.497 -0.103 5.750 249 HZ3 LYS 30 2HZ LYS 30 -18.541 -0.521 4.109 250 HA PRO 31 HA PRO 31 -14.672 -2.832 -2.652 251 HB2 PRO 31 2HB PRO 31 -15.587 -0.021 -2.795 252 HB3 PRO 31 1HB PRO 31 -16.134 -1.422 -3.720 253 HG2 PRO 31 2HG PRO 31 -17.654 -0.352 -1.802 254 HG3 PRO 31 1HG PRO 31 -17.598 -2.108 -2.055 255 HD2 PRO 31 2HD PRO 31 -16.255 -0.444 0.036 256 HD3 PRO 31 1HD PRO 31 -17.019 -2.040 0.189 257 H LYS 32 H LYS 32 -12.784 -2.415 -3.656 258 HA LYS 32 HA LYS 32 -10.832 -0.699 -2.534 259 HB2 LYS 32 2HB LYS 32 -10.224 -2.728 -3.722 260 HB3 LYS 32 1HB LYS 32 -10.940 -2.125 -5.195 261 HG2 LYS 32 2HG LYS 32 -9.116 -0.957 -5.743 262 HG3 LYS 32 1HG LYS 32 -8.875 -0.377 -4.093 263 HD2 LYS 32 2HD LYS 32 -8.243 -3.187 -4.975 264 HD3 LYS 32 1HD LYS 32 -7.062 -1.878 -4.974 265 HE2 LYS 32 2HE LYS 32 -6.738 -2.998 -2.934 266 HE3 LYS 32 1HE LYS 32 -7.638 -1.551 -2.531 267 HZ1 LYS 32 3HZ LYS 32 -8.478 -3.508 -1.365 268 HZ2 LYS 32 1HZ LYS 32 -8.818 -4.259 -2.839 269 HZ3 LYS 32 2HZ LYS 32 -9.652 -2.858 -2.392 270 HA PRO 33 HA PRO 33 -12.663 3.181 -3.686 271 HB2 PRO 33 2HB PRO 33 -9.888 4.101 -3.767 272 HB3 PRO 33 1HB PRO 33 -11.207 4.604 -2.722 273 HG2 PRO 33 2HG PRO 33 -9.075 2.741 -2.243 274 HG3 PRO 33 1HG PRO 33 -10.279 3.341 -1.140 275 HD2 PRO 33 2HD PRO 33 -10.119 0.813 -1.949 276 HD3 PRO 33 1HD PRO 33 -11.633 1.557 -1.392 277 H SER 34 H SER 34 -12.934 4.480 -5.390 278 HA SER 34 HA SER 34 -12.165 3.467 -7.953 279 HB2 SER 34 2HB SER 34 -13.460 6.143 -7.429 280 HB3 SER 34 1HB SER 34 -13.688 5.058 -8.803 281 HG SER 34 HG SER 34 -15.462 4.819 -7.492 282 H THR 35 H THR 35 -11.151 5.899 -5.765 283 HA THR 35 HA THR 35 -8.908 6.631 -7.516 284 HB THR 35 HB THR 35 -10.360 8.694 -5.872 285 HG1 THR 35 1HG THR 35 -10.767 8.058 -8.636 286 HG21 THR 35 3HG2 THR 35 -8.062 9.185 -6.545 287 HG22 THR 35 1HG2 THR 35 -9.204 10.241 -7.380 288 HG23 THR 35 2HG2 THR 35 -8.485 8.871 -8.229 289 H TRP 36 H TRP 36 -7.002 7.069 -6.419 290 HA TRP 36 HA TRP 36 -6.776 5.838 -3.873 291 HB2 TRP 36 2HB TRP 36 -4.910 5.549 -5.197 292 HB3 TRP 36 1HB TRP 36 -4.857 7.223 -5.669 293 HD1 TRP 36 HD TRP 36 -2.971 8.562 -4.568 294 HE1 TRP 36 1HE TRP 36 -1.498 8.313 -2.460 295 HE3 TRP 36 3HE TRP 36 -5.206 4.416 -2.537 296 HZ2 TRP 36 2HZ TRP 36 -1.349 6.582 -0.235 297 HZ3 TRP 36 3HZ TRP 36 -4.326 3.537 -0.414 298 HH2 TRP 36 HH TRP 36 -2.442 4.598 0.712 299 H ASP 37 H ASP 37 -7.522 9.032 -4.810 300 HA ASP 37 HA ASP 37 -6.565 10.525 -2.634 301 HB2 ASP 37 2HB ASP 37 -7.457 11.688 -4.533 302 HB3 ASP 37 1HB ASP 37 -9.014 10.884 -4.365 303 H LEU 38 H LEU 38 -9.740 8.953 -3.060 304 HA LEU 38 HA LEU 38 -10.572 9.669 -0.415 305 HB2 LEU 38 2HB LEU 38 -12.505 8.146 -0.877 306 HB3 LEU 38 1HB LEU 38 -12.301 9.448 -2.031 307 HG LEU 38 HG LEU 38 -10.916 7.066 -2.919 308 HD11 LEU 38 1HD1 LEU 38 -12.916 5.717 -3.392 309 HD12 LEU 38 2HD1 LEU 38 -13.886 6.832 -2.421 310 HD13 LEU 38 3HD1 LEU 38 -12.618 5.875 -1.656 311 HD21 LEU 38 3HD2 LEU 38 -13.225 8.626 -4.075 312 HD22 LEU 38 1HD2 LEU 38 -12.187 7.498 -4.941 313 HD23 LEU 38 2HD2 LEU 38 -11.520 9.002 -4.307 314 H ALA 39 H ALA 39 -8.898 7.062 -1.898 315 HA ALA 39 HA ALA 39 -9.303 5.060 0.063 316 HB1 ALA 39 1HB ALA 39 -8.452 4.457 -2.096 317 HB2 ALA 39 2HB ALA 39 -7.213 4.085 -0.896 318 HB3 ALA 39 3HB ALA 39 -7.063 5.528 -1.896 319 H SER 40 H SER 40 -6.646 7.320 -0.543 320 HA SER 40 HA SER 40 -5.195 6.571 1.756 321 HB2 SER 40 2HB SER 40 -3.912 8.674 1.268 322 HB3 SER 40 1HB SER 40 -4.004 7.530 -0.062 323 HG SER 40 HG SER 40 -5.333 8.844 -1.136 324 H LYS 41 H LYS 41 -7.647 8.981 1.151 325 HA LYS 41 HA LYS 41 -7.276 10.546 3.457 326 HB2 LYS 41 2HB LYS 41 -8.672 11.274 1.590 327 HB3 LYS 41 1HB LYS 41 -9.807 9.977 1.905 328 HG2 LYS 41 2HG LYS 41 -10.416 10.966 4.023 329 HG3 LYS 41 1HG LYS 41 -9.205 12.234 3.803 330 HD2 LYS 41 2HD LYS 41 -11.672 11.748 2.140 331 HD3 LYS 41 1HD LYS 41 -11.343 13.132 3.190 332 HE2 LYS 41 2HE LYS 41 -9.325 13.574 1.731 333 HE3 LYS 41 1HE LYS 41 -9.978 12.383 0.617 334 HZ1 LYS 41 3HZ LYS 41 -11.942 13.723 0.339 335 HZ2 LYS 41 1HZ LYS 41 -10.569 14.651 -0.001 336 HZ3 LYS 41 2HZ LYS 41 -11.386 14.854 1.470 337 H GLU 42 H GLU 42 -9.237 7.667 2.859 338 HA GLU 42 HA GLU 42 -10.245 7.589 5.562 339 HB2 GLU 42 2HB GLU 42 -11.331 6.722 3.338 340 HB3 GLU 42 1HB GLU 42 -10.350 5.294 3.624 341 HG2 GLU 42 2HG GLU 42 -12.449 4.804 4.520 342 HG3 GLU 42 1HG GLU 42 -11.427 5.178 5.907 343 H LEU 43 H LEU 43 -7.724 6.135 3.663 344 HA LEU 43 HA LEU 43 -7.038 3.949 5.289 345 HB2 LEU 43 2HB LEU 43 -6.351 4.837 2.817 346 HB3 LEU 43 1HB LEU 43 -4.894 5.220 3.714 347 HG LEU 43 HG LEU 43 -4.537 3.095 2.749 348 HD11 LEU 43 1HD1 LEU 43 -5.375 2.665 5.611 349 HD12 LEU 43 2HD1 LEU 43 -3.783 3.175 5.044 350 HD13 LEU 43 3HD1 LEU 43 -4.382 1.559 4.661 351 HD21 LEU 43 3HD2 LEU 43 -6.842 2.609 2.150 352 HD22 LEU 43 1HD2 LEU 43 -7.220 2.260 3.836 353 HD23 LEU 43 2HD2 LEU 43 -6.092 1.230 2.956 354 H GLY 44 H GLY 44 -5.937 7.299 5.265 355 HA2 GLY 44 2HA GLY 44 -3.511 6.977 6.552 356 HA3 GLY 44 1HA GLY 44 -4.450 8.446 6.588 357 H GLU 45 H GLU 45 -3.402 5.701 8.253 358 HA GLU 45 HA GLU 45 -3.580 6.481 10.759 359 HB2 GLU 45 2HB GLU 45 -6.050 6.605 10.527 360 HB3 GLU 45 1HB GLU 45 -6.074 4.896 10.113 361 HG2 GLU 45 2HG GLU 45 -5.236 4.324 12.313 362 HG3 GLU 45 1HG GLU 45 -5.126 6.033 12.734 363 H SER 46 H SER 46 -4.409 3.695 8.735 364 HA SER 46 HA SER 46 -3.017 1.814 10.368 365 HB2 SER 46 2HB SER 46 -3.815 1.647 7.448 366 HB3 SER 46 1HB SER 46 -3.265 0.294 8.435 367 HG SER 46 HG SER 46 -5.326 1.625 9.613 368 H LEU 47 H LEU 47 -0.892 1.597 10.554 369 HA LEU 47 HA LEU 47 0.677 3.625 9.399 370 HB2 LEU 47 2HB LEU 47 2.571 2.118 10.555 371 HB3 LEU 47 1HB LEU 47 1.612 3.314 11.393 372 HG LEU 47 HG LEU 47 1.901 1.224 12.663 373 HD11 LEU 47 1HD1 LEU 47 -0.093 2.610 13.024 374 HD12 LEU 47 2HD1 LEU 47 -0.380 0.899 13.345 375 HD13 LEU 47 3HD1 LEU 47 -0.965 1.626 11.848 376 HD21 LEU 47 3HD2 LEU 47 0.986 -0.847 11.985 377 HD22 LEU 47 1HD2 LEU 47 1.963 -0.243 10.647 378 HD23 LEU 47 2HD2 LEU 47 0.203 -0.119 10.581 379 H GLU 48 H GLU 48 -0.100 0.685 7.976 380 HA GLU 48 HA GLU 48 2.496 0.182 6.837 381 HB2 GLU 48 2HB GLU 48 0.449 -1.439 7.178 382 HB3 GLU 48 1HB GLU 48 -0.091 -0.773 5.659 383 HG2 GLU 48 2HG GLU 48 1.096 -2.878 5.391 384 HG3 GLU 48 1HG GLU 48 1.851 -1.543 4.553 385 H TYR 49 H TYR 49 -0.194 2.245 6.199 386 HA TYR 49 HA TYR 49 0.730 2.771 3.486 387 HB2 TYR 49 2HB TYR 49 -1.437 3.256 3.281 388 HB3 TYR 49 1HB TYR 49 -1.671 3.345 5.007 389 HD1 TYR 49 1HD TYR 49 -0.817 5.253 1.956 390 HD2 TYR 49 2HD TYR 49 -1.822 5.480 6.096 391 HE1 TYR 49 1HE TYR 49 -1.294 7.661 1.722 392 HE2 TYR 49 2HE TYR 49 -2.288 7.885 5.870 393 HH TYR 49 HH TYR 49 -1.888 9.720 4.473 394 H LYS 50 H LYS 50 1.394 3.717 6.654 395 HA LYS 50 HA LYS 50 2.750 6.174 5.894 396 HB2 LYS 50 2HB LYS 50 1.697 5.187 8.265 397 HB3 LYS 50 1HB LYS 50 3.432 5.048 8.499 398 HG2 LYS 50 2HG LYS 50 3.621 7.455 7.852 399 HG3 LYS 50 1HG LYS 50 1.857 7.523 7.852 400 HD2 LYS 50 2HD LYS 50 3.691 6.981 10.169 401 HD3 LYS 50 1HD LYS 50 2.554 8.315 9.960 402 HE2 LYS 50 2HE LYS 50 0.707 6.626 9.974 403 HE3 LYS 50 1HE LYS 50 1.903 5.410 10.408 404 HZ1 LYS 50 3HZ LYS 50 0.597 6.592 12.282 405 HZ2 LYS 50 1HZ LYS 50 1.673 7.869 12.016 406 HZ3 LYS 50 2HZ LYS 50 2.258 6.345 12.477 407 H ALA 51 H ALA 51 3.263 2.890 5.733 408 HA ALA 51 HA ALA 51 6.126 2.907 6.113 409 HB1 ALA 51 1HB ALA 51 4.711 0.903 6.523 410 HB2 ALA 51 2HB ALA 51 6.045 0.607 5.408 411 HB3 ALA 51 3HB ALA 51 4.406 0.815 4.788 412 H LEU 52 H LEU 52 4.117 4.071 3.796 413 HA LEU 52 HA LEU 52 6.231 3.921 1.767 414 HB2 LEU 52 2HB LEU 52 3.279 3.863 1.155 415 HB3 LEU 52 1HB LEU 52 4.597 3.773 0.009 416 HG LEU 52 HG LEU 52 3.901 1.665 2.048 417 HD11 LEU 52 1HD1 LEU 52 2.330 1.195 0.541 418 HD12 LEU 52 2HD1 LEU 52 3.664 0.600 -0.455 419 HD13 LEU 52 3HD1 LEU 52 3.061 2.255 -0.668 420 HD21 LEU 52 3HD2 LEU 52 5.979 1.710 -0.136 421 HD22 LEU 52 1HD2 LEU 52 5.528 0.290 0.810 422 HD23 LEU 52 2HD2 LEU 52 6.281 1.675 1.601 423 H GLY 53 H GLY 53 5.473 5.890 3.826 424 HA2 GLY 53 2HA GLY 53 4.283 8.135 2.540 425 HA3 GLY 53 1HA GLY 53 5.261 8.178 4.004 426 H ASP 54 H ASP 54 7.329 6.662 2.269 427 HA ASP 54 HA ASP 54 8.561 9.122 1.200 428 HB2 ASP 54 2HB ASP 54 9.613 7.986 3.229 429 HB3 ASP 54 1HB ASP 54 9.996 6.638 2.168 430 H GLU 55 H GLU 55 6.934 6.592 0.367 431 HA GLU 55 HA GLU 55 8.172 6.237 -2.260 432 HB2 GLU 55 2HB GLU 55 8.719 4.383 -0.483 433 HB3 GLU 55 1HB GLU 55 7.063 3.871 -0.795 434 HG2 GLU 55 2HG GLU 55 8.987 2.818 -2.136 435 HG3 GLU 55 1HG GLU 55 7.508 3.294 -2.957 436 H ASP 56 H ASP 56 6.330 7.945 -1.847 437 HA ASP 56 HA ASP 56 3.673 7.221 -1.482 438 HB2 ASP 56 2HB ASP 56 4.509 9.515 -1.333 439 HB3 ASP 56 1HB ASP 56 4.828 9.540 -3.061 440 H ASN 57 H ASN 57 5.504 7.615 -4.552 441 HA ASN 57 HA ASN 57 3.139 7.422 -6.148 442 HB2 ASN 57 2HB ASN 57 4.709 7.277 -8.074 443 HB3 ASN 57 1HB ASN 57 5.053 8.644 -7.026 444 HD21 ASN 57 1HD2 ASN 57 6.432 6.970 -5.024 445 HD22 ASN 57 2HD2 ASN 57 7.949 6.590 -5.709 446 H ILE 58 H ILE 58 5.556 5.232 -4.957 447 HA ILE 58 HA ILE 58 4.805 2.963 -6.359 448 HB ILE 58 HB ILE 58 6.232 3.484 -3.820 449 HG12 ILE 58 2HG1 ILE 58 7.958 2.162 -4.913 450 HG13 ILE 58 1HG1 ILE 58 6.829 1.712 -6.167 451 HG21 ILE 58 1HG2 ILE 58 4.757 1.683 -3.121 452 HG22 ILE 58 2HG2 ILE 58 6.407 1.088 -3.297 453 HG23 ILE 58 3HG2 ILE 58 5.207 0.737 -4.540 454 HD11 ILE 58 3HD1 ILE 58 6.721 4.001 -6.927 455 HD12 ILE 58 1HD1 ILE 58 8.369 3.373 -6.953 456 HD13 ILE 58 2HD1 ILE 58 7.859 4.466 -5.664 457 H ARG 59 H ARG 59 3.659 4.199 -3.227 458 HA ARG 59 HA ARG 59 1.956 2.030 -2.657 459 HB2 ARG 59 2HB ARG 59 2.146 3.032 -0.723 460 HB3 ARG 59 1HB ARG 59 2.693 4.515 -1.457 461 HG2 ARG 59 2HG ARG 59 0.349 5.171 -1.772 462 HG3 ARG 59 1HG ARG 59 -0.156 3.686 -0.971 463 HD2 ARG 59 2HD ARG 59 -0.158 5.574 0.554 464 HD3 ARG 59 1HD ARG 59 1.031 4.369 1.011 465 HE ARG 59 HE ARG 59 2.763 5.829 0.237 466 HH11 ARG 59 1HH1 ARG 59 -0.422 7.235 0.137 467 HH12 ARG 59 2HH1 ARG 59 0.150 8.872 0.256 468 HH21 ARG 59 1HH2 ARG 59 3.525 7.968 0.441 469 HH22 ARG 59 2HH2 ARG 59 2.392 9.284 0.416 470 H ARG 60 H ARG 60 1.122 5.271 -3.930 471 HA ARG 60 HA ARG 60 -1.589 4.816 -4.337 472 HB2 ARG 60 2HB ARG 60 -1.161 6.403 -6.410 473 HB3 ARG 60 1HB ARG 60 -1.031 7.009 -4.764 474 HG2 ARG 60 2HG ARG 60 1.356 6.832 -4.824 475 HG3 ARG 60 1HG ARG 60 1.301 6.023 -6.384 476 HD2 ARG 60 2HD ARG 60 1.749 8.669 -5.983 477 HD3 ARG 60 1HD ARG 60 1.193 7.952 -7.485 478 HE ARG 60 HE ARG 60 -1.116 8.518 -6.672 479 HH11 ARG 60 1HH1 ARG 60 1.617 10.185 -5.295 480 HH12 ARG 60 2HH1 ARG 60 0.798 11.706 -5.161 481 HH21 ARG 60 1HH2 ARG 60 -2.235 10.507 -6.463 482 HH22 ARG 60 2HH2 ARG 60 -1.397 11.878 -5.822 483 H GLN 61 H GLN 61 1.173 3.950 -6.366 484 HA GLN 61 HA GLN 61 -0.388 3.143 -8.591 485 HB2 GLN 61 2HB GLN 61 2.100 3.764 -8.535 486 HB3 GLN 61 1HB GLN 61 2.385 2.117 -7.981 487 HG2 GLN 61 2HG GLN 61 2.601 2.558 -10.472 488 HG3 GLN 61 1HG GLN 61 1.604 1.186 -9.981 489 HE21 GLN 61 1HE2 GLN 61 0.565 4.483 -9.612 490 HE22 GLN 61 2HE2 GLN 61 -0.712 4.403 -10.763 491 H ILE 62 H ILE 62 1.164 1.254 -5.916 492 HA ILE 62 HA ILE 62 0.331 -1.246 -6.950 493 HB ILE 62 HB ILE 62 0.381 -1.314 -4.049 494 HG12 ILE 62 2HG1 ILE 62 3.047 -0.705 -5.249 495 HG13 ILE 62 1HG1 ILE 62 2.024 0.611 -4.692 496 HG21 ILE 62 1HG2 ILE 62 1.985 -3.085 -4.484 497 HG22 ILE 62 2HG2 ILE 62 2.084 -2.590 -6.172 498 HG23 ILE 62 3HG2 ILE 62 0.574 -3.240 -5.531 499 HD11 ILE 62 3HD1 ILE 62 3.582 -0.046 -2.966 500 HD12 ILE 62 1HD1 ILE 62 2.985 -1.705 -3.038 501 HD13 ILE 62 2HD1 ILE 62 1.925 -0.411 -2.470 502 H PHE 63 H PHE 63 -1.165 1.002 -4.664 503 HA PHE 63 HA PHE 63 -3.281 -0.520 -3.794 504 HB2 PHE 63 2HB PHE 63 -3.207 1.515 -2.739 505 HB3 PHE 63 1HB PHE 63 -2.946 2.389 -4.239 506 HD1 PHE 63 1HD PHE 63 -5.522 0.301 -2.569 507 HD2 PHE 63 2HD PHE 63 -4.721 3.621 -5.121 508 HE1 PHE 63 1HE PHE 63 -7.926 0.775 -2.714 509 HE2 PHE 63 2HE PHE 63 -7.137 4.074 -5.244 510 HZ PHE 63 HZ PHE 63 -8.724 2.653 -4.060 511 H GLU 64 H GLU 64 -3.157 1.523 -6.664 512 HA GLU 64 HA GLU 64 -5.776 0.937 -7.529 513 HB2 GLU 64 2HB GLU 64 -3.852 2.710 -8.289 514 HB3 GLU 64 1HB GLU 64 -3.796 1.567 -9.624 515 HG2 GLU 64 2HG GLU 64 -6.276 2.963 -8.651 516 HG3 GLU 64 1HG GLU 64 -5.303 3.474 -10.028 517 H ASP 65 H ASP 65 -2.666 -0.547 -8.165 518 HA ASP 65 HA ASP 65 -3.666 -2.274 -10.240 519 HB2 ASP 65 2HB ASP 65 -1.387 -1.390 -10.338 520 HB3 ASP 65 1HB ASP 65 -0.991 -2.197 -8.826 521 H PHE 66 H PHE 66 -3.891 -2.411 -6.898 522 HA PHE 66 HA PHE 66 -2.971 -4.939 -6.219 523 HB2 PHE 66 2HB PHE 66 -5.056 -3.113 -5.096 524 HB3 PHE 66 1HB PHE 66 -4.896 -4.729 -4.451 525 HD1 PHE 66 1HD PHE 66 -1.722 -4.571 -4.980 526 HD2 PHE 66 2HD PHE 66 -4.595 -2.242 -2.875 527 HE1 PHE 66 1HE PHE 66 0.026 -3.810 -3.423 528 HE2 PHE 66 2HE PHE 66 -2.861 -1.484 -1.313 529 HZ PHE 66 HZ PHE 66 -0.537 -2.263 -1.597 530 H LYS 67 H LYS 67 -6.284 -4.008 -6.971 531 HA LYS 67 HA LYS 67 -8.116 -5.126 -7.615 532 HB2 LYS 67 2HB LYS 67 -5.937 -6.635 -8.977 533 HB3 LYS 67 1HB LYS 67 -7.563 -7.297 -9.016 534 HG2 LYS 67 2HG LYS 67 -6.524 -5.520 -10.806 535 HG3 LYS 67 1HG LYS 67 -8.226 -5.842 -10.537 536 HD2 LYS 67 2HD LYS 67 -8.478 -3.952 -9.148 537 HD3 LYS 67 1HD LYS 67 -6.736 -3.737 -9.014 538 HE2 LYS 67 2HE LYS 67 -6.630 -3.209 -11.416 539 HE3 LYS 67 1HE LYS 67 -8.373 -3.427 -11.533 540 HZ1 LYS 67 3HZ LYS 67 -7.152 -1.431 -9.718 541 HZ2 LYS 67 1HZ LYS 67 -8.759 -1.517 -10.251 542 HZ3 LYS 67 2HZ LYS 67 -7.525 -1.077 -11.326 543 HA PRO 68 HA PRO 68 -8.611 -7.779 -4.006 544 HB2 PRO 68 2HB PRO 68 -11.379 -7.502 -5.088 545 HB3 PRO 68 1HB PRO 68 -10.797 -7.358 -3.423 546 HG2 PRO 68 2HG PRO 68 -11.357 -5.155 -4.762 547 HG3 PRO 68 1HG PRO 68 -9.852 -5.234 -3.834 548 HD2 PRO 68 2HD PRO 68 -10.239 -5.576 -6.769 549 HD3 PRO 68 1HD PRO 68 -9.011 -4.635 -5.916 550 H GLU 69 H GLU 69 -10.291 -9.656 -3.713 551 HA GLU 69 HA GLU 69 -10.785 -11.816 -4.078 552 HB2 GLU 69 2HB GLU 69 -11.637 -11.053 -6.333 553 HB3 GLU 69 1HB GLU 69 -10.064 -11.485 -6.991 554 HG2 GLU 69 2HG GLU 69 -11.641 -13.268 -7.381 555 HG3 GLU 69 1HG GLU 69 -10.405 -13.801 -6.242 Start of MODEL 2 1 H ASN 5 H ASN 5 18.372 -2.648 -0.055 2 HA ASN 5 HA ASN 5 17.544 -3.988 2.383 3 HB2 ASN 5 2HB ASN 5 19.414 -2.568 3.134 4 HB3 ASN 5 1HB ASN 5 18.602 -1.175 2.438 5 HD21 ASN 5 1HD2 ASN 5 16.922 -3.753 4.082 6 HD22 ASN 5 2HD2 ASN 5 16.444 -2.823 5.448 7 H GLU 6 H GLU 6 17.329 -0.974 0.541 8 HA GLU 6 HA GLU 6 14.653 -0.398 1.215 9 HB2 GLU 6 2HB GLU 6 15.018 0.774 -1.240 10 HB3 GLU 6 1HB GLU 6 15.453 1.491 0.305 11 HG2 GLU 6 2HG GLU 6 17.299 1.721 -1.192 12 HG3 GLU 6 1HG GLU 6 17.735 0.548 0.049 13 H ARG 7 H ARG 7 16.159 -2.274 -1.350 14 HA ARG 7 HA ARG 7 13.843 -2.750 -2.874 15 HB2 ARG 7 2HB ARG 7 16.281 -4.507 -2.520 16 HB3 ARG 7 1HB ARG 7 15.052 -4.700 -3.763 17 HG2 ARG 7 2HG ARG 7 17.095 -2.555 -3.461 18 HG3 ARG 7 1HG ARG 7 16.682 -3.520 -4.883 19 HD2 ARG 7 2HD ARG 7 14.612 -2.342 -5.156 20 HD3 ARG 7 1HD ARG 7 14.827 -1.512 -3.628 21 HE ARG 7 HE ARG 7 16.910 -0.540 -4.775 22 HH11 ARG 7 1HH1 ARG 7 13.894 -1.289 -6.373 23 HH12 ARG 7 2HH1 ARG 7 14.052 -0.038 -7.562 24 HH21 ARG 7 1HH2 ARG 7 17.122 1.125 -6.337 25 HH22 ARG 7 2HH2 ARG 7 15.879 1.358 -7.521 26 H ARG 8 H ARG 8 15.218 -4.447 -0.075 27 HA ARG 8 HA ARG 8 13.300 -6.529 -0.010 28 HB2 ARG 8 2HB ARG 8 15.538 -6.448 1.269 29 HB3 ARG 8 1HB ARG 8 14.696 -5.428 2.427 30 HG2 ARG 8 2HG ARG 8 13.012 -7.202 2.755 31 HG3 ARG 8 1HG ARG 8 13.936 -8.245 1.678 32 HD2 ARG 8 2HD ARG 8 15.669 -8.494 3.202 33 HD3 ARG 8 1HD ARG 8 15.231 -7.029 4.088 34 HE ARG 8 HE ARG 8 13.074 -8.599 4.449 35 HH11 ARG 8 1HH1 ARG 8 16.491 -9.277 4.877 36 HH12 ARG 8 2HH1 ARG 8 16.219 -10.332 6.238 37 HH21 ARG 8 1HH2 ARG 8 12.736 -9.989 6.216 38 HH22 ARG 8 2HH2 ARG 8 14.098 -10.746 6.983 39 H ILE 9 H ILE 9 13.504 -3.347 1.519 40 HA ILE 9 HA ILE 9 11.233 -3.520 3.152 41 HB ILE 9 HB ILE 9 12.639 -1.186 1.865 42 HG12 ILE 9 2HG1 ILE 9 12.563 -2.078 4.742 43 HG13 ILE 9 1HG1 ILE 9 13.826 -2.526 3.596 44 HG21 ILE 9 1HG2 ILE 9 10.426 -1.082 3.923 45 HG22 ILE 9 2HG2 ILE 9 10.318 -0.522 2.252 46 HG23 ILE 9 3HG2 ILE 9 11.397 0.289 3.388 47 HD11 ILE 9 3HD1 ILE 9 13.142 0.246 4.536 48 HD12 ILE 9 1HD1 ILE 9 14.310 -0.131 3.270 49 HD13 ILE 9 2HD1 ILE 9 14.589 -0.688 4.921 50 H LEU 10 H LEU 10 11.655 -2.181 -0.099 51 HA LEU 10 HA LEU 10 9.081 -1.259 -0.505 52 HB2 LEU 10 2HB LEU 10 11.095 -0.755 -1.858 53 HB3 LEU 10 1HB LEU 10 10.977 -2.352 -2.575 54 HG LEU 10 HG LEU 10 8.702 -1.713 -3.429 55 HD11 LEU 10 1HD1 LEU 10 9.568 0.970 -2.370 56 HD12 LEU 10 2HD1 LEU 10 8.125 0.052 -1.935 57 HD13 LEU 10 3HD1 LEU 10 8.273 0.749 -3.548 58 HD21 LEU 10 3HD2 LEU 10 11.051 -0.034 -4.312 59 HD22 LEU 10 1HD2 LEU 10 9.583 -0.312 -5.248 60 HD23 LEU 10 2HD2 LEU 10 10.654 -1.660 -4.869 61 H GLU 11 H GLU 11 10.447 -4.475 -1.286 62 HA GLU 11 HA GLU 11 8.003 -5.363 -2.509 63 HB2 GLU 11 2HB GLU 11 10.390 -6.950 -1.543 64 HB3 GLU 11 1HB GLU 11 9.075 -7.595 -2.513 65 HG2 GLU 11 2HG GLU 11 10.861 -5.338 -3.392 66 HG3 GLU 11 1HG GLU 11 11.132 -7.039 -3.790 67 H GLN 12 H GLN 12 9.495 -5.785 0.667 68 HA GLN 12 HA GLN 12 7.595 -7.618 1.677 69 HB2 GLN 12 2HB GLN 12 9.836 -7.131 2.691 70 HB3 GLN 12 1HB GLN 12 9.193 -5.598 3.252 71 HG2 GLN 12 2HG GLN 12 9.135 -7.132 5.064 72 HG3 GLN 12 1HG GLN 12 7.479 -6.848 4.538 73 HE21 GLN 12 1HE2 GLN 12 8.616 -9.091 6.019 74 HE22 GLN 12 2HE2 GLN 12 8.256 -10.505 5.095 75 H LYS 13 H LYS 13 7.827 -4.073 1.875 76 HA LYS 13 HA LYS 13 5.366 -3.791 3.283 77 HB2 LYS 13 2HB LYS 13 7.058 -1.824 1.736 78 HB3 LYS 13 1HB LYS 13 5.553 -1.365 2.524 79 HG2 LYS 13 2HG LYS 13 7.991 -2.506 3.880 80 HG3 LYS 13 1HG LYS 13 7.467 -0.823 3.920 81 HD2 LYS 13 2HD LYS 13 5.371 -1.547 5.025 82 HD3 LYS 13 1HD LYS 13 5.985 -3.200 5.048 83 HE2 LYS 13 2HE LYS 13 7.882 -2.462 6.420 84 HE3 LYS 13 1HE LYS 13 7.242 -0.819 6.411 85 HZ1 LYS 13 3HZ LYS 13 5.951 -3.214 7.593 86 HZ2 LYS 13 1HZ LYS 13 5.215 -1.692 7.475 87 HZ3 LYS 13 2HZ LYS 13 6.601 -1.901 8.428 88 H LYS 14 H LYS 14 6.254 -4.011 -0.090 89 HA LYS 14 HA LYS 14 3.934 -3.107 -1.320 90 HB2 LYS 14 2HB LYS 14 6.158 -3.992 -2.333 91 HB3 LYS 14 1HB LYS 14 5.400 -5.578 -2.232 92 HG2 LYS 14 2HG LYS 14 3.635 -4.912 -3.701 93 HG3 LYS 14 1HG LYS 14 4.205 -3.245 -3.707 94 HD2 LYS 14 2HD LYS 14 6.151 -5.322 -4.514 95 HD3 LYS 14 1HD LYS 14 4.816 -5.014 -5.622 96 HE2 LYS 14 2HE LYS 14 5.419 -2.701 -5.807 97 HE3 LYS 14 1HE LYS 14 6.630 -2.851 -4.535 98 HZ1 LYS 14 3HZ LYS 14 7.573 -2.880 -6.796 99 HZ2 LYS 14 1HZ LYS 14 6.720 -4.304 -7.129 100 HZ3 LYS 14 2HZ LYS 14 7.927 -4.294 -5.929 101 H HIS 15 H HIS 15 4.715 -6.379 -0.125 102 HA HIS 15 HA HIS 15 2.124 -7.407 -0.698 103 HB2 HIS 15 2HB HIS 15 3.971 -8.960 -0.544 104 HB3 HIS 15 1HB HIS 15 4.307 -8.471 1.111 105 HD1 HIS 15 1HD HIS 15 3.899 -10.664 2.264 106 HD2 HIS 15 2HD HIS 15 0.680 -9.482 -0.090 107 HE1 HIS 15 1HE HIS 15 2.048 -12.286 2.773 108 HE2 HIS 15 2HE HIS 15 0.197 -11.691 1.172 109 H TYR 16 H TYR 16 3.641 -6.132 2.263 110 HA TYR 16 HA TYR 16 1.403 -6.805 3.878 111 HB2 TYR 16 2HB TYR 16 3.974 -5.513 4.300 112 HB3 TYR 16 1HB TYR 16 2.684 -4.814 5.277 113 HD1 TYR 16 1HD TYR 16 1.049 -7.420 5.421 114 HD2 TYR 16 2HD TYR 16 5.148 -6.542 6.166 115 HE1 TYR 16 1HE TYR 16 1.157 -9.313 6.965 116 HE2 TYR 16 2HE TYR 16 5.271 -8.451 7.719 117 HH TYR 16 HH TYR 16 3.823 -9.849 9.069 118 H PHE 17 H PHE 17 2.141 -3.981 1.955 119 HA PHE 17 HA PHE 17 0.084 -2.347 3.064 120 HB2 PHE 17 2HB PHE 17 2.033 -1.467 1.778 121 HB3 PHE 17 1HB PHE 17 1.357 -2.207 0.344 122 HD1 PHE 17 2HD PHE 17 0.125 -0.042 3.090 123 HD2 PHE 17 1HD PHE 17 0.323 -0.765 -1.101 124 HE1 PHE 17 2HE PHE 17 -1.210 1.996 2.692 125 HE2 PHE 17 1HE PHE 17 -1.024 1.251 -1.518 126 HZ PHE 17 HZ PHE 17 -1.792 2.633 0.375 127 H TRP 18 H TRP 18 0.346 -4.739 0.509 128 HA TRP 18 HA TRP 18 -2.324 -4.340 -0.518 129 HB2 TRP 18 2HB TRP 18 -0.428 -5.485 -1.762 130 HB3 TRP 18 1HB TRP 18 -0.639 -6.849 -0.685 131 HD1 TRP 18 HD TRP 18 -0.915 -8.079 -3.139 132 HE1 TRP 18 1HE TRP 18 -3.040 -8.598 -4.482 133 HE3 TRP 18 3HE TRP 18 -4.195 -4.708 -0.993 134 HZ2 TRP 18 2HZ TRP 18 -5.673 -7.774 -4.627 135 HZ3 TRP 18 3HZ TRP 18 -6.520 -4.665 -1.876 136 HH2 TRP 18 HH TRP 18 -7.221 -6.166 -3.625 137 H LEU 19 H LEU 19 -0.785 -6.137 1.994 138 HA LEU 19 HA LEU 19 -2.975 -7.828 2.673 139 HB2 LEU 19 2HB LEU 19 -0.464 -8.046 3.287 140 HB3 LEU 19 1HB LEU 19 -0.803 -6.859 4.527 141 HG LEU 19 HG LEU 19 -2.653 -9.109 4.612 142 HD11 LEU 19 1HD1 LEU 19 0.290 -9.589 5.069 143 HD12 LEU 19 2HD1 LEU 19 -0.703 -10.337 3.815 144 HD13 LEU 19 3HD1 LEU 19 -1.009 -10.696 5.515 145 HD21 LEU 19 3HD2 LEU 19 -2.130 -8.986 6.963 146 HD22 LEU 19 1HD2 LEU 19 -2.376 -7.357 6.331 147 HD23 LEU 19 2HD2 LEU 19 -0.739 -7.953 6.628 148 H LEU 20 H LEU 20 -1.638 -4.817 3.773 149 HA LEU 20 HA LEU 20 -3.460 -4.067 5.783 150 HB2 LEU 20 2HB LEU 20 -1.163 -3.122 4.991 151 HB3 LEU 20 1HB LEU 20 -2.095 -2.173 3.859 152 HG LEU 20 HG LEU 20 -1.493 -0.844 5.750 153 HD11 LEU 20 1HD1 LEU 20 -3.661 -0.334 4.808 154 HD12 LEU 20 2HD1 LEU 20 -3.723 -0.139 6.564 155 HD13 LEU 20 3HD1 LEU 20 -4.424 -1.571 5.810 156 HD21 LEU 20 3HD2 LEU 20 -2.636 -3.129 7.294 157 HD22 LEU 20 1HD2 LEU 20 -2.509 -1.518 8.007 158 HD23 LEU 20 2HD2 LEU 20 -1.062 -2.358 7.437 159 H LEU 21 H LEU 21 -3.368 -3.293 2.294 160 HA LEU 21 HA LEU 21 -5.630 -1.595 2.346 161 HB2 LEU 21 2HB LEU 21 -3.533 -1.687 0.850 162 HB3 LEU 21 1HB LEU 21 -4.352 -2.911 -0.046 163 HG LEU 21 HG LEU 21 -4.818 -1.088 -1.358 164 HD11 LEU 21 1HD1 LEU 21 -6.982 -0.740 0.708 165 HD12 LEU 21 2HD1 LEU 21 -7.005 -1.894 -0.626 166 HD13 LEU 21 3HD1 LEU 21 -7.013 -0.160 -0.959 167 HD21 LEU 21 3HD2 LEU 21 -3.483 0.372 -0.001 168 HD22 LEU 21 1HD2 LEU 21 -4.809 0.575 1.144 169 HD23 LEU 21 2HD2 LEU 21 -4.969 1.186 -0.506 170 H GLN 22 H GLN 22 -5.105 -5.051 1.787 171 HA GLN 22 HA GLN 22 -7.773 -5.435 0.743 172 HB2 GLN 22 2HB GLN 22 -5.917 -6.935 0.045 173 HB3 GLN 22 1HB GLN 22 -5.839 -7.559 1.689 174 HG2 GLN 22 2HG GLN 22 -8.110 -8.399 1.512 175 HG3 GLN 22 1HG GLN 22 -8.258 -7.714 -0.101 176 HE21 GLN 22 1HE2 GLN 22 -8.741 -9.682 -1.011 177 HE22 GLN 22 2HE2 GLN 22 -7.579 -10.938 -1.214 178 H ARG 23 H ARG 23 -6.145 -6.065 3.864 179 HA ARG 23 HA ARG 23 -8.441 -7.258 5.019 180 HB2 ARG 23 2HB ARG 23 -7.349 -6.947 7.190 181 HB3 ARG 23 1HB ARG 23 -6.272 -7.653 6.008 182 HG2 ARG 23 2HG ARG 23 -4.927 -6.168 7.126 183 HG3 ARG 23 1HG ARG 23 -5.384 -5.273 5.680 184 HD2 ARG 23 2HD ARG 23 -6.888 -3.918 6.875 185 HD3 ARG 23 1HD ARG 23 -6.868 -4.993 8.277 186 HE ARG 23 HE ARG 23 -4.289 -4.221 8.052 187 HH11 ARG 23 1HH1 ARG 23 -7.235 -2.337 8.031 188 HH12 ARG 23 2HH1 ARG 23 -6.543 -1.039 8.949 189 HH21 ARG 23 1HH2 ARG 23 -3.410 -2.547 9.305 190 HH22 ARG 23 2HH2 ARG 23 -4.365 -1.135 9.587 191 H THR 24 H THR 24 -7.633 -4.026 4.339 192 HA THR 24 HA THR 24 -9.784 -3.010 6.010 193 HB THR 24 HB THR 24 -8.133 -1.513 3.962 194 HG1 THR 24 1HG THR 24 -6.635 -1.909 5.446 195 HG21 THR 24 3HG2 THR 24 -8.872 0.471 5.227 196 HG22 THR 24 1HG2 THR 24 -9.876 -0.563 6.245 197 HG23 THR 24 2HG2 THR 24 -10.236 -0.403 4.520 198 H TYR 25 H TYR 25 -8.981 -2.821 2.525 199 HA TYR 25 HA TYR 25 -11.867 -2.847 1.969 200 HB2 TYR 25 2HB TYR 25 -9.669 -2.064 0.048 201 HB3 TYR 25 1HB TYR 25 -11.396 -1.794 -0.134 202 HD1 TYR 25 2HD TYR 25 -11.809 -0.797 2.796 203 HD2 TYR 25 1HD TYR 25 -9.012 0.196 -0.252 204 HE1 TYR 25 2HE TYR 25 -11.535 1.438 3.773 205 HE2 TYR 25 1HE TYR 25 -8.739 2.434 0.726 206 HH TYR 25 HH TYR 25 -9.802 3.945 2.134 207 H THR 26 H THR 26 -12.128 -5.046 2.142 208 HA THR 26 HA THR 26 -10.431 -6.880 0.691 209 HB THR 26 HB THR 26 -12.910 -7.870 1.959 210 HG1 THR 26 1HG THR 26 -10.837 -6.525 3.398 211 HG21 THR 26 3HG2 THR 26 -11.176 -9.403 1.190 212 HG22 THR 26 1HG2 THR 26 -11.316 -9.484 2.946 213 HG23 THR 26 2HG2 THR 26 -9.981 -8.598 2.207 214 H LYS 27 H LYS 27 -12.228 -8.874 0.070 215 HA LYS 27 HA LYS 27 -13.238 -8.238 -2.461 216 HB2 LYS 27 2HB LYS 27 -14.673 -10.441 -1.267 217 HB3 LYS 27 1HB LYS 27 -13.485 -10.468 -2.564 218 HG2 LYS 27 2HG LYS 27 -11.702 -10.790 -1.070 219 HG3 LYS 27 1HG LYS 27 -12.671 -10.312 0.318 220 HD2 LYS 27 2HD LYS 27 -12.241 -12.778 0.126 221 HD3 LYS 27 1HD LYS 27 -13.936 -12.319 0.250 222 HE2 LYS 27 2HE LYS 27 -13.829 -13.976 -1.413 223 HE3 LYS 27 1HE LYS 27 -14.029 -12.451 -2.268 224 HZ1 LYS 27 3HZ LYS 27 -11.474 -12.524 -2.434 225 HZ2 LYS 27 1HZ LYS 27 -12.392 -13.534 -3.448 226 HZ3 LYS 27 2HZ LYS 27 -11.648 -14.174 -2.066 227 H THR 28 H THR 28 -14.885 -8.656 0.651 228 HA THR 28 HA THR 28 -17.295 -7.452 -0.527 229 HB THR 28 HB THR 28 -17.654 -9.819 -0.109 230 HG1 THR 28 1HG THR 28 -19.095 -7.857 1.031 231 HG21 THR 28 3HG2 THR 28 -16.828 -9.199 2.725 232 HG22 THR 28 1HG2 THR 28 -15.983 -10.238 1.579 233 HG23 THR 28 2HG2 THR 28 -17.564 -10.716 2.203 234 H GLY 29 H GLY 29 -15.150 -7.581 2.245 235 HA2 GLY 29 2HA GLY 29 -16.509 -6.305 4.159 236 HA3 GLY 29 1HA GLY 29 -14.788 -6.144 3.946 237 H LYS 30 H LYS 30 -14.177 -4.576 2.154 238 HA LYS 30 HA LYS 30 -15.971 -2.262 2.039 239 HB2 LYS 30 2HB LYS 30 -13.023 -2.174 2.736 240 HB3 LYS 30 1HB LYS 30 -14.043 -0.770 2.478 241 HG2 LYS 30 2HG LYS 30 -14.632 -2.788 4.619 242 HG3 LYS 30 1HG LYS 30 -13.522 -1.444 4.878 243 HD2 LYS 30 2HD LYS 30 -16.386 -1.135 3.985 244 HD3 LYS 30 1HD LYS 30 -15.849 -1.016 5.662 245 HE2 LYS 30 2HE LYS 30 -14.240 0.782 4.848 246 HE3 LYS 30 1HE LYS 30 -15.168 0.781 3.350 247 HZ1 LYS 30 3HZ LYS 30 -17.168 1.267 4.701 248 HZ2 LYS 30 1HZ LYS 30 -15.991 2.493 4.778 249 HZ3 LYS 30 2HZ LYS 30 -16.177 1.414 6.071 250 HA PRO 31 HA PRO 31 -14.902 -2.719 -2.278 251 HB2 PRO 31 2HB PRO 31 -15.664 0.144 -2.443 252 HB3 PRO 31 1HB PRO 31 -16.313 -1.243 -3.325 253 HG2 PRO 31 2HG PRO 31 -17.722 -0.067 -1.387 254 HG3 PRO 31 1HG PRO 31 -17.758 -1.827 -1.612 255 HD2 PRO 31 2HD PRO 31 -16.277 -0.205 0.420 256 HD3 PRO 31 1HD PRO 31 -17.121 -1.756 0.613 257 H LYS 32 H LYS 32 -12.868 -2.557 -3.169 258 HA LYS 32 HA LYS 32 -10.903 -0.746 -2.325 259 HB2 LYS 32 2HB LYS 32 -10.385 -2.801 -3.595 260 HB3 LYS 32 1HB LYS 32 -11.151 -2.120 -5.014 261 HG2 LYS 32 2HG LYS 32 -9.334 -0.951 -5.573 262 HG3 LYS 32 1HG LYS 32 -9.058 -0.413 -3.921 263 HD2 LYS 32 2HD LYS 32 -8.430 -3.202 -4.798 264 HD3 LYS 32 1HD LYS 32 -7.278 -1.880 -4.969 265 HE2 LYS 32 2HE LYS 32 -6.730 -2.855 -2.927 266 HE3 LYS 32 1HE LYS 32 -7.667 -1.441 -2.493 267 HZ1 LYS 32 3HZ LYS 32 -8.715 -4.220 -2.590 268 HZ2 LYS 32 1HZ LYS 32 -9.581 -2.846 -2.122 269 HZ3 LYS 32 2HZ LYS 32 -8.283 -3.387 -1.184 270 HA PRO 33 HA PRO 33 -12.799 2.911 -3.482 271 HB2 PRO 33 2HB PRO 33 -10.207 4.267 -3.534 272 HB3 PRO 33 1HB PRO 33 -11.518 4.402 -2.370 273 HG2 PRO 33 2HG PRO 33 -9.133 3.231 -1.875 274 HG3 PRO 33 1HG PRO 33 -10.628 2.806 -1.057 275 HD2 PRO 33 2HD PRO 33 -9.191 1.409 -3.223 276 HD3 PRO 33 1HD PRO 33 -10.087 0.734 -1.865 277 H SER 34 H SER 34 -13.092 4.525 -5.064 278 HA SER 34 HA SER 34 -12.394 3.603 -7.722 279 HB2 SER 34 2HB SER 34 -13.968 6.071 -6.922 280 HB3 SER 34 1HB SER 34 -13.925 5.317 -8.516 281 HG SER 34 HG SER 34 -15.013 3.555 -7.712 282 H THR 35 H THR 35 -11.229 5.803 -5.455 283 HA THR 35 HA THR 35 -9.160 6.696 -7.306 284 HB THR 35 HB THR 35 -10.510 8.715 -5.515 285 HG1 THR 35 1HG THR 35 -11.165 7.898 -8.134 286 HG21 THR 35 3HG2 THR 35 -9.321 10.318 -6.908 287 HG22 THR 35 1HG2 THR 35 -8.705 9.005 -7.917 288 HG23 THR 35 2HG2 THR 35 -8.192 9.139 -6.236 289 H TRP 36 H TRP 36 -7.198 7.054 -6.268 290 HA TRP 36 HA TRP 36 -6.920 5.712 -3.788 291 HB2 TRP 36 2HB TRP 36 -5.117 5.390 -5.167 292 HB3 TRP 36 1HB TRP 36 -5.050 7.062 -5.646 293 HD1 TRP 36 HD TRP 36 -3.178 8.436 -4.594 294 HE1 TRP 36 1HE TRP 36 -1.555 8.139 -2.626 295 HE3 TRP 36 3HE TRP 36 -5.150 4.173 -2.554 296 HZ2 TRP 36 2HZ TRP 36 -1.162 6.350 -0.489 297 HZ3 TRP 36 3HZ TRP 36 -4.076 3.235 -0.553 298 HH2 TRP 36 HH TRP 36 -2.123 4.300 0.454 299 H ASP 37 H ASP 37 -7.539 8.959 -4.625 300 HA ASP 37 HA ASP 37 -6.422 10.365 -2.486 301 HB2 ASP 37 2HB ASP 37 -7.363 11.600 -4.296 302 HB3 ASP 37 1HB ASP 37 -8.939 10.847 -4.079 303 H LEU 38 H LEU 38 -9.668 8.938 -2.736 304 HA LEU 38 HA LEU 38 -10.376 9.675 -0.074 305 HB2 LEU 38 2HB LEU 38 -12.335 8.132 -0.439 306 HB3 LEU 38 1HB LEU 38 -12.185 9.452 -1.581 307 HG LEU 38 HG LEU 38 -10.856 7.078 -2.575 308 HD11 LEU 38 1HD1 LEU 38 -12.894 5.751 -2.981 309 HD12 LEU 38 2HD1 LEU 38 -13.793 6.840 -1.916 310 HD13 LEU 38 3HD1 LEU 38 -12.488 5.851 -1.264 311 HD21 LEU 38 3HD2 LEU 38 -12.199 7.557 -4.529 312 HD22 LEU 38 1HD2 LEU 38 -11.530 9.053 -3.889 313 HD23 LEU 38 2HD2 LEU 38 -13.218 8.649 -3.599 314 H ALA 39 H ALA 39 -8.864 6.963 -1.569 315 HA ALA 39 HA ALA 39 -9.240 5.050 0.494 316 HB1 ALA 39 1HB ALA 39 -7.267 5.292 -1.761 317 HB2 ALA 39 2HB ALA 39 -8.665 4.200 -1.627 318 HB3 ALA 39 3HB ALA 39 -7.230 3.955 -0.608 319 H SER 40 H SER 40 -6.479 7.063 -0.447 320 HA SER 40 HA SER 40 -4.829 6.322 1.679 321 HB2 SER 40 2HB SER 40 -3.606 8.454 1.142 322 HB3 SER 40 1HB SER 40 -3.839 7.358 -0.214 323 HG SER 40 HG SER 40 -5.399 8.679 -1.022 324 H LYS 41 H LYS 41 -7.237 8.911 1.445 325 HA LYS 41 HA LYS 41 -6.678 10.214 3.860 326 HB2 LYS 41 2HB LYS 41 -8.301 11.099 2.240 327 HB3 LYS 41 1HB LYS 41 -9.369 9.743 2.559 328 HG2 LYS 41 2HG LYS 41 -9.492 10.519 4.941 329 HG3 LYS 41 1HG LYS 41 -8.631 11.976 4.435 330 HD2 LYS 41 2HD LYS 41 -11.062 12.317 4.478 331 HD3 LYS 41 1HD LYS 41 -10.404 12.490 2.849 332 HE2 LYS 41 2HE LYS 41 -12.395 11.197 2.682 333 HE3 LYS 41 1HE LYS 41 -11.033 10.113 2.427 334 HZ1 LYS 41 3HZ LYS 41 -12.495 8.996 3.870 335 HZ2 LYS 41 1HZ LYS 41 -12.730 10.361 4.844 336 HZ3 LYS 41 2HZ LYS 41 -11.244 9.549 4.861 337 H GLU 42 H GLU 42 -8.785 7.436 3.179 338 HA GLU 42 HA GLU 42 -9.515 7.130 5.955 339 HB2 GLU 42 2HB GLU 42 -10.878 6.549 3.805 340 HB3 GLU 42 1HB GLU 42 -9.947 5.061 3.815 341 HG2 GLU 42 2HG GLU 42 -11.664 4.297 5.018 342 HG3 GLU 42 1HG GLU 42 -10.834 5.088 6.358 343 H LEU 43 H LEU 43 -6.915 6.246 4.021 344 HA LEU 43 HA LEU 43 -6.329 3.728 5.323 345 HB2 LEU 43 2HB LEU 43 -5.854 4.772 2.817 346 HB3 LEU 43 1HB LEU 43 -4.285 4.884 3.583 347 HG LEU 43 HG LEU 43 -4.377 2.839 2.362 348 HD11 LEU 43 1HD1 LEU 43 -4.747 2.303 5.298 349 HD12 LEU 43 2HD1 LEU 43 -3.234 2.699 4.483 350 HD13 LEU 43 3HD1 LEU 43 -4.052 1.175 4.135 351 HD21 LEU 43 3HD2 LEU 43 -6.088 1.155 2.710 352 HD22 LEU 43 1HD2 LEU 43 -6.817 2.684 2.213 353 HD23 LEU 43 2HD2 LEU 43 -6.881 2.185 3.904 354 H GLY 44 H GLY 44 -5.584 7.046 5.783 355 HA2 GLY 44 2HA GLY 44 -2.860 6.787 6.547 356 HA3 GLY 44 1HA GLY 44 -3.874 8.174 6.877 357 H GLU 45 H GLU 45 -5.635 5.903 8.194 358 HA GLU 45 HA GLU 45 -4.590 6.254 10.790 359 HB2 GLU 45 2HB GLU 45 -6.543 4.992 11.545 360 HB3 GLU 45 1HB GLU 45 -6.981 6.296 10.455 361 HG2 GLU 45 2HG GLU 45 -8.215 4.771 9.416 362 HG3 GLU 45 1HG GLU 45 -6.690 4.195 8.743 363 H SER 46 H SER 46 -4.311 3.894 8.315 364 HA SER 46 HA SER 46 -2.956 2.099 10.205 365 HB2 SER 46 2HB SER 46 -4.090 1.639 7.459 366 HB3 SER 46 1HB SER 46 -2.971 0.506 8.211 367 HG SER 46 HG SER 46 -5.384 1.390 9.440 368 H LEU 47 H LEU 47 -0.908 2.385 10.380 369 HA LEU 47 HA LEU 47 0.372 4.256 8.718 370 HB2 LEU 47 2HB LEU 47 2.432 3.462 10.175 371 HB3 LEU 47 1HB LEU 47 1.213 4.566 10.768 372 HG LEU 47 HG LEU 47 1.944 2.842 12.397 373 HD11 LEU 47 1HD1 LEU 47 -0.235 3.908 12.650 374 HD12 LEU 47 2HD1 LEU 47 -0.259 2.233 13.208 375 HD13 LEU 47 3HD1 LEU 47 -0.963 2.654 11.647 376 HD21 LEU 47 3HD2 LEU 47 0.504 0.902 10.620 377 HD22 LEU 47 1HD2 LEU 47 1.312 0.556 12.150 378 HD23 LEU 47 2HD2 LEU 47 2.255 1.050 10.741 379 H GLU 48 H GLU 48 -0.117 1.118 7.783 380 HA GLU 48 HA GLU 48 2.582 0.605 6.876 381 HB2 GLU 48 2HB GLU 48 0.496 -1.067 7.114 382 HB3 GLU 48 1HB GLU 48 0.206 -0.562 5.474 383 HG2 GLU 48 2HG GLU 48 1.457 -2.603 5.473 384 HG3 GLU 48 1HG GLU 48 2.452 -1.288 4.868 385 H TYR 49 H TYR 49 -0.155 2.455 5.915 386 HA TYR 49 HA TYR 49 0.830 2.811 3.202 387 HB2 TYR 49 2HB TYR 49 -1.345 3.301 2.908 388 HB3 TYR 49 1HB TYR 49 -1.619 3.380 4.638 389 HD1 TYR 49 2HD TYR 49 -0.878 5.273 1.609 390 HD2 TYR 49 1HD TYR 49 -1.640 5.547 5.785 391 HE1 TYR 49 2HE TYR 49 -1.252 7.681 1.377 392 HE2 TYR 49 1HE TYR 49 -2.010 7.968 5.570 393 HH TYR 49 HH TYR 49 -2.552 9.489 2.694 394 H LYS 50 H LYS 50 1.302 4.022 6.309 395 HA LYS 50 HA LYS 50 2.455 6.505 5.373 396 HB2 LYS 50 2HB LYS 50 0.947 6.197 7.363 397 HB3 LYS 50 1HB LYS 50 2.285 5.374 8.148 398 HG2 LYS 50 2HG LYS 50 3.557 7.342 8.246 399 HG3 LYS 50 1HG LYS 50 2.536 8.152 7.052 400 HD2 LYS 50 2HD LYS 50 1.797 7.396 9.871 401 HD3 LYS 50 1HD LYS 50 2.005 9.026 9.224 402 HE2 LYS 50 2HE LYS 50 0.123 8.046 7.522 403 HE3 LYS 50 1HE LYS 50 -0.271 7.166 9.001 404 HZ1 LYS 50 3HZ LYS 50 -1.335 9.449 8.570 405 HZ2 LYS 50 1HZ LYS 50 0.145 10.077 9.105 406 HZ3 LYS 50 2HZ LYS 50 -0.789 9.074 10.125 407 H ALA 51 H ALA 51 3.336 3.274 5.791 408 HA ALA 51 HA ALA 51 6.092 3.825 6.604 409 HB1 ALA 51 1HB ALA 51 6.359 1.365 6.451 410 HB2 ALA 51 2HB ALA 51 4.677 1.243 5.926 411 HB3 ALA 51 3HB ALA 51 5.057 1.844 7.537 412 H LEU 52 H LEU 52 4.296 4.082 3.999 413 HA LEU 52 HA LEU 52 6.357 3.306 2.062 414 HB2 LEU 52 2HB LEU 52 4.547 1.674 2.118 415 HB3 LEU 52 1HB LEU 52 3.356 2.944 1.930 416 HG LEU 52 HG LEU 52 4.127 3.348 -0.330 417 HD11 LEU 52 1HD1 LEU 52 6.460 2.841 -0.150 418 HD12 LEU 52 2HD1 LEU 52 5.748 1.743 -1.336 419 HD13 LEU 52 3HD1 LEU 52 6.100 1.170 0.299 420 HD21 LEU 52 3HD2 LEU 52 3.479 1.153 -1.297 421 HD22 LEU 52 1HD2 LEU 52 2.383 1.727 -0.040 422 HD23 LEU 52 2HD2 LEU 52 3.562 0.467 0.328 423 H GLY 53 H GLY 53 5.568 5.823 3.468 424 HA2 GLY 53 2HA GLY 53 4.197 7.514 1.620 425 HA3 GLY 53 1HA GLY 53 5.076 8.028 3.051 426 H ASP 54 H ASP 54 7.498 6.565 1.992 427 HA ASP 54 HA ASP 54 8.562 8.926 0.736 428 HB2 ASP 54 2HB ASP 54 9.790 7.527 2.465 429 HB3 ASP 54 1HB ASP 54 9.993 6.302 1.215 430 H GLU 55 H GLU 55 7.583 5.729 -0.105 431 HA GLU 55 HA GLU 55 8.280 6.178 -2.920 432 HB2 GLU 55 2HB GLU 55 7.386 3.669 -1.484 433 HB3 GLU 55 1HB GLU 55 7.618 3.787 -3.224 434 HG2 GLU 55 2HG GLU 55 9.715 4.085 -1.084 435 HG3 GLU 55 1HG GLU 55 9.552 2.770 -2.252 436 H ASP 56 H ASP 56 6.612 7.914 -2.683 437 HA ASP 56 HA ASP 56 3.958 7.312 -1.960 438 HB2 ASP 56 2HB ASP 56 3.397 9.523 -2.604 439 HB3 ASP 56 1HB ASP 56 5.023 9.608 -1.940 440 H ASN 57 H ASN 57 5.527 7.605 -5.157 441 HA ASN 57 HA ASN 57 2.995 7.335 -6.516 442 HB2 ASN 57 2HB ASN 57 4.713 6.872 -8.511 443 HB3 ASN 57 1HB ASN 57 4.423 8.494 -7.901 444 HD21 ASN 57 1HD2 ASN 57 6.248 6.129 -6.119 445 HD22 ASN 57 2HD2 ASN 57 7.756 6.932 -6.226 446 H ILE 58 H ILE 58 5.473 5.196 -5.335 447 HA ILE 58 HA ILE 58 4.683 2.913 -6.794 448 HB ILE 58 HB ILE 58 6.181 3.338 -4.235 449 HG12 ILE 58 2HG1 ILE 58 7.941 2.079 -5.411 450 HG13 ILE 58 1HG1 ILE 58 6.874 1.879 -6.795 451 HG21 ILE 58 1HG2 ILE 58 6.430 0.908 -3.947 452 HG22 ILE 58 2HG2 ILE 58 5.256 0.647 -5.238 453 HG23 ILE 58 3HG2 ILE 58 4.757 1.435 -3.740 454 HD11 ILE 58 3HD1 ILE 58 7.904 4.502 -5.744 455 HD12 ILE 58 1HD1 ILE 58 6.889 4.269 -7.165 456 HD13 ILE 58 2HD1 ILE 58 8.527 3.623 -7.140 457 H ARG 59 H ARG 59 3.977 4.145 -3.582 458 HA ARG 59 HA ARG 59 2.259 2.241 -2.623 459 HB2 ARG 59 2HB ARG 59 3.147 3.994 -1.256 460 HB3 ARG 59 1HB ARG 59 2.324 5.225 -2.197 461 HG2 ARG 59 2HG ARG 59 0.169 4.262 -1.414 462 HG3 ARG 59 1HG ARG 59 1.086 3.196 -0.362 463 HD2 ARG 59 2HD ARG 59 0.181 5.763 0.167 464 HD3 ARG 59 1HD ARG 59 1.278 4.791 1.123 465 HE ARG 59 HE ARG 59 3.099 5.879 -0.278 466 HH11 ARG 59 1HH1 ARG 59 0.024 7.423 0.329 467 HH12 ARG 59 2HH1 ARG 59 0.654 9.038 0.246 468 HH21 ARG 59 1HH2 ARG 59 3.948 8.002 -0.377 469 HH22 ARG 59 2HH2 ARG 59 2.888 9.358 -0.192 470 H ARG 60 H ARG 60 1.343 5.214 -4.413 471 HA ARG 60 HA ARG 60 -1.432 4.712 -4.388 472 HB2 ARG 60 2HB ARG 60 -1.294 6.294 -6.484 473 HB3 ARG 60 1HB ARG 60 -0.935 6.921 -4.878 474 HG2 ARG 60 2HG ARG 60 1.402 6.780 -5.266 475 HG3 ARG 60 1HG ARG 60 1.165 5.911 -6.760 476 HD2 ARG 60 2HD ARG 60 1.110 8.761 -6.217 477 HD3 ARG 60 1HD ARG 60 1.433 7.905 -7.715 478 HE ARG 60 HE ARG 60 -1.116 7.621 -7.763 479 HH11 ARG 60 1HH1 ARG 60 0.568 10.423 -6.499 480 HH12 ARG 60 2HH1 ARG 60 -0.735 11.511 -6.866 481 HH21 ARG 60 1HH2 ARG 60 -2.798 9.024 -8.249 482 HH22 ARG 60 2HH2 ARG 60 -2.630 10.699 -7.870 483 H GLN 61 H GLN 61 1.123 3.863 -6.688 484 HA GLN 61 HA GLN 61 -0.722 3.032 -8.702 485 HB2 GLN 61 2HB GLN 61 2.249 2.970 -8.388 486 HB3 GLN 61 1HB GLN 61 1.511 1.934 -9.608 487 HG2 GLN 61 2HG GLN 61 1.254 4.922 -9.364 488 HG3 GLN 61 1HG GLN 61 2.085 4.015 -10.636 489 HE21 GLN 61 1HE2 GLN 61 -1.015 4.760 -9.222 490 HE22 GLN 61 2HE2 GLN 61 -1.973 4.279 -10.561 491 H ILE 62 H ILE 62 1.138 1.260 -6.181 492 HA ILE 62 HA ILE 62 0.403 -1.317 -7.119 493 HB ILE 62 HB ILE 62 0.387 -1.157 -4.191 494 HG12 ILE 62 2HG1 ILE 62 3.055 -0.690 -5.456 495 HG13 ILE 62 1HG1 ILE 62 2.052 0.665 -4.956 496 HG21 ILE 62 1HG2 ILE 62 2.017 -2.693 -6.197 497 HG22 ILE 62 2HG2 ILE 62 0.551 -3.242 -5.386 498 HG23 ILE 62 3HG2 ILE 62 2.025 -2.968 -4.458 499 HD11 ILE 62 3HD1 ILE 62 1.976 -0.255 -2.679 500 HD12 ILE 62 1HD1 ILE 62 3.619 0.117 -3.211 501 HD13 ILE 62 2HD1 ILE 62 3.053 -1.557 -3.197 502 H PHE 63 H PHE 63 -1.156 0.951 -4.878 503 HA PHE 63 HA PHE 63 -3.208 -0.672 -3.968 504 HB2 PHE 63 2HB PHE 63 -3.151 1.277 -2.812 505 HB3 PHE 63 1HB PHE 63 -2.792 2.227 -4.243 506 HD1 PHE 63 2HD PHE 63 -5.504 0.336 -2.592 507 HD2 PHE 63 1HD PHE 63 -4.495 3.498 -5.263 508 HE1 PHE 63 2HE PHE 63 -7.872 0.970 -2.727 509 HE2 PHE 63 1HE PHE 63 -6.860 4.136 -5.392 510 HZ PHE 63 HZ PHE 63 -8.543 2.862 -4.137 511 H GLU 64 H GLU 64 -3.166 1.531 -6.676 512 HA GLU 64 HA GLU 64 -5.746 1.036 -7.630 513 HB2 GLU 64 2HB GLU 64 -3.235 2.019 -8.996 514 HB3 GLU 64 1HB GLU 64 -4.788 1.947 -9.799 515 HG2 GLU 64 2HG GLU 64 -5.728 3.558 -8.334 516 HG3 GLU 64 1HG GLU 64 -4.332 3.480 -7.259 517 H ASP 65 H ASP 65 -2.679 -0.531 -8.211 518 HA ASP 65 HA ASP 65 -3.659 -2.199 -10.348 519 HB2 ASP 65 2HB ASP 65 -1.274 -1.253 -10.033 520 HB3 ASP 65 1HB ASP 65 -1.052 -2.567 -8.886 521 H PHE 66 H PHE 66 -4.040 -2.358 -7.015 522 HA PHE 66 HA PHE 66 -3.019 -4.835 -6.281 523 HB2 PHE 66 2HB PHE 66 -5.121 -3.029 -5.207 524 HB3 PHE 66 1HB PHE 66 -5.008 -4.648 -4.550 525 HD1 PHE 66 2HD PHE 66 -1.820 -4.502 -5.092 526 HD2 PHE 66 1HD PHE 66 -4.690 -2.225 -2.936 527 HE1 PHE 66 2HE PHE 66 -0.071 -3.780 -3.522 528 HE2 PHE 66 1HE PHE 66 -2.959 -1.512 -1.346 529 HZ PHE 66 HZ PHE 66 -0.633 -2.285 -1.650 530 H LYS 67 H LYS 67 -6.331 -4.069 -7.146 531 HA LYS 67 HA LYS 67 -8.072 -5.260 -7.911 532 HB2 LYS 67 2HB LYS 67 -6.141 -7.497 -8.549 533 HB3 LYS 67 1HB LYS 67 -7.726 -7.231 -9.252 534 HG2 LYS 67 2HG LYS 67 -5.259 -5.563 -9.663 535 HG3 LYS 67 1HG LYS 67 -6.053 -6.609 -10.840 536 HD2 LYS 67 2HD LYS 67 -7.966 -4.770 -9.813 537 HD3 LYS 67 1HD LYS 67 -6.534 -3.870 -10.314 538 HE2 LYS 67 2HE LYS 67 -6.614 -4.987 -12.499 539 HE3 LYS 67 1HE LYS 67 -8.072 -5.839 -12.001 540 HZ1 LYS 67 3HZ LYS 67 -7.877 -2.882 -12.068 541 HZ2 LYS 67 1HZ LYS 67 -9.279 -3.823 -11.920 542 HZ3 LYS 67 2HZ LYS 67 -8.422 -3.802 -13.379 543 HA PRO 68 HA PRO 68 -8.991 -7.237 -4.029 544 HB2 PRO 68 2HB PRO 68 -11.696 -7.061 -5.224 545 HB3 PRO 68 1HB PRO 68 -11.115 -6.478 -3.661 546 HG2 PRO 68 2HG PRO 68 -11.620 -4.766 -5.647 547 HG3 PRO 68 1HG PRO 68 -10.226 -4.534 -4.587 548 HD2 PRO 68 2HD PRO 68 -10.304 -5.637 -7.343 549 HD3 PRO 68 1HD PRO 68 -9.155 -4.506 -6.625 550 H GLU 69 H GLU 69 -11.436 -8.728 -4.097 551 HA GLU 69 HA GLU 69 -12.151 -10.844 -4.265 552 HB2 GLU 69 2HB GLU 69 -11.870 -10.486 -6.767 553 HB3 GLU 69 1HB GLU 69 -10.296 -11.252 -6.619 554 HG2 GLU 69 2HG GLU 69 -11.915 -12.854 -7.391 555 HG3 GLU 69 1HG GLU 69 -11.388 -13.287 -5.764 Start of MODEL 3 1 H ASN 5 H ASN 5 19.121 -1.800 -0.592 2 HA ASN 5 HA ASN 5 17.851 -3.852 1.009 3 HB2 ASN 5 2HB ASN 5 19.770 -2.600 1.877 4 HB3 ASN 5 1HB ASN 5 18.854 -1.105 1.773 5 HD21 ASN 5 1HD2 ASN 5 19.189 -4.138 3.441 6 HD22 ASN 5 2HD2 ASN 5 18.206 -3.720 4.798 7 H GLU 6 H GLU 6 17.246 -0.560 0.000 8 HA GLU 6 HA GLU 6 14.731 -0.233 1.229 9 HB2 GLU 6 2HB GLU 6 14.431 1.520 -0.590 10 HB3 GLU 6 1HB GLU 6 15.878 1.695 0.396 11 HG2 GLU 6 2HG GLU 6 17.122 1.644 -1.415 12 HG3 GLU 6 1HG GLU 6 16.544 0.016 -1.748 13 H ARG 7 H ARG 7 15.783 -1.661 -1.792 14 HA ARG 7 HA ARG 7 13.277 -2.153 -2.954 15 HB2 ARG 7 2HB ARG 7 15.977 -3.426 -3.205 16 HB3 ARG 7 1HB ARG 7 14.597 -4.121 -4.025 17 HG2 ARG 7 2HG ARG 7 15.889 -1.457 -4.463 18 HG3 ARG 7 1HG ARG 7 15.614 -2.757 -5.622 19 HD2 ARG 7 2HD ARG 7 13.119 -2.343 -5.183 20 HD3 ARG 7 1HD ARG 7 13.634 -0.823 -4.464 21 HE ARG 7 HE ARG 7 14.057 -1.587 -7.280 22 HH11 ARG 7 1HH1 ARG 7 13.846 0.893 -4.795 23 HH12 ARG 7 2HH1 ARG 7 13.668 2.186 -5.951 24 HH21 ARG 7 1HH2 ARG 7 13.863 0.093 -8.769 25 HH22 ARG 7 2HH2 ARG 7 13.683 1.731 -8.210 26 H ARG 8 H ARG 8 15.308 -4.166 -0.828 27 HA ARG 8 HA ARG 8 13.576 -6.327 -0.495 28 HB2 ARG 8 2HB ARG 8 15.741 -6.559 0.429 29 HB3 ARG 8 1HB ARG 8 15.615 -5.054 1.329 30 HG2 ARG 8 2HG ARG 8 13.878 -6.125 2.755 31 HG3 ARG 8 1HG ARG 8 14.184 -7.643 1.906 32 HD2 ARG 8 2HD ARG 8 16.454 -7.680 2.676 33 HD3 ARG 8 1HD ARG 8 16.293 -6.066 3.366 34 HE ARG 8 HE ARG 8 14.366 -7.529 4.626 35 HH11 ARG 8 1HH1 ARG 8 17.834 -7.868 4.244 36 HH12 ARG 8 2HH1 ARG 8 18.048 -8.655 5.778 37 HH21 ARG 8 1HH2 ARG 8 14.647 -8.577 6.616 38 HH22 ARG 8 2HH2 ARG 8 16.234 -9.095 7.105 39 H ILE 9 H ILE 9 13.767 -3.260 1.280 40 HA ILE 9 HA ILE 9 11.696 -3.759 3.110 41 HB ILE 9 HB ILE 9 12.836 -1.204 1.982 42 HG12 ILE 9 2HG1 ILE 9 13.111 -2.417 4.731 43 HG13 ILE 9 1HG1 ILE 9 14.271 -2.648 3.423 44 HG21 ILE 9 1HG2 ILE 9 11.682 0.009 3.779 45 HG22 ILE 9 2HG2 ILE 9 10.861 -1.478 4.255 46 HG23 ILE 9 3HG2 ILE 9 10.529 -0.754 2.682 47 HD11 ILE 9 3HD1 ILE 9 15.076 -0.919 4.862 48 HD12 ILE 9 1HD1 ILE 9 13.535 -0.060 4.763 49 HD13 ILE 9 2HD1 ILE 9 14.563 -0.189 3.339 50 H LEU 10 H LEU 10 11.690 -2.167 -0.049 51 HA LEU 10 HA LEU 10 9.034 -1.278 -0.020 52 HB2 LEU 10 2HB LEU 10 11.087 -0.739 -1.602 53 HB3 LEU 10 1HB LEU 10 10.374 -2.005 -2.581 54 HG LEU 10 HG LEU 10 8.801 0.381 -1.664 55 HD11 LEU 10 1HD1 LEU 10 10.562 1.327 -2.886 56 HD12 LEU 10 2HD1 LEU 10 9.232 1.197 -4.014 57 HD13 LEU 10 3HD1 LEU 10 10.546 0.041 -4.071 58 HD21 LEU 10 3HD2 LEU 10 8.424 -1.587 -3.914 59 HD22 LEU 10 1HD2 LEU 10 7.388 -0.199 -3.578 60 HD23 LEU 10 2HD2 LEU 10 7.495 -1.524 -2.417 61 H GLU 11 H GLU 11 10.445 -4.206 -1.527 62 HA GLU 11 HA GLU 11 8.020 -5.210 -2.575 63 HB2 GLU 11 2HB GLU 11 10.572 -6.602 -1.755 64 HB3 GLU 11 1HB GLU 11 9.253 -7.407 -2.602 65 HG2 GLU 11 2HG GLU 11 10.629 -4.959 -3.663 66 HG3 GLU 11 1HG GLU 11 11.175 -6.597 -4.016 67 H GLN 12 H GLN 12 9.685 -5.820 0.478 68 HA GLN 12 HA GLN 12 7.975 -7.688 1.608 69 HB2 GLN 12 2HB GLN 12 10.090 -7.042 2.623 70 HB3 GLN 12 1HB GLN 12 9.476 -5.422 2.913 71 HG2 GLN 12 2HG GLN 12 7.729 -6.445 4.381 72 HG3 GLN 12 1HG GLN 12 8.591 -7.976 4.220 73 HE21 GLN 12 1HE2 GLN 12 10.181 -4.882 4.326 74 HE22 GLN 12 2HE2 GLN 12 10.914 -5.083 5.878 75 H LYS 13 H LYS 13 7.818 -4.133 1.728 76 HA LYS 13 HA LYS 13 5.368 -4.205 3.213 77 HB2 LYS 13 2HB LYS 13 6.827 -1.890 1.922 78 HB3 LYS 13 1HB LYS 13 5.360 -1.723 2.881 79 HG2 LYS 13 2HG LYS 13 8.115 -2.479 3.761 80 HG3 LYS 13 1HG LYS 13 7.017 -1.269 4.430 81 HD2 LYS 13 2HD LYS 13 5.521 -3.319 5.012 82 HD3 LYS 13 1HD LYS 13 7.002 -4.249 4.791 83 HE2 LYS 13 2HE LYS 13 6.859 -3.775 7.100 84 HE3 LYS 13 1HE LYS 13 8.081 -2.679 6.454 85 HZ1 LYS 13 3HZ LYS 13 6.380 -0.945 6.363 86 HZ2 LYS 13 1HZ LYS 13 6.603 -1.513 7.939 87 HZ3 LYS 13 2HZ LYS 13 5.246 -2.002 7.042 88 H LYS 14 H LYS 14 6.229 -4.055 -0.164 89 HA LYS 14 HA LYS 14 3.866 -3.217 -1.310 90 HB2 LYS 14 2HB LYS 14 6.067 -4.021 -2.415 91 HB3 LYS 14 1HB LYS 14 5.356 -5.623 -2.323 92 HG2 LYS 14 2HG LYS 14 3.482 -4.945 -3.661 93 HG3 LYS 14 1HG LYS 14 4.068 -3.286 -3.704 94 HD2 LYS 14 2HD LYS 14 5.914 -5.404 -4.640 95 HD3 LYS 14 1HD LYS 14 4.520 -5.044 -5.659 96 HE2 LYS 14 2HE LYS 14 5.178 -2.737 -5.830 97 HE3 LYS 14 1HE LYS 14 6.484 -2.967 -4.671 98 HZ1 LYS 14 3HZ LYS 14 7.585 -4.429 -6.206 99 HZ2 LYS 14 1HZ LYS 14 7.251 -2.956 -6.982 100 HZ3 LYS 14 2HZ LYS 14 6.295 -4.321 -7.309 101 H HIS 15 H HIS 15 4.717 -6.530 -0.264 102 HA HIS 15 HA HIS 15 2.138 -7.587 -0.798 103 HB2 HIS 15 2HB HIS 15 4.090 -9.072 -0.558 104 HB3 HIS 15 1HB HIS 15 4.235 -8.618 1.139 105 HD1 HIS 15 1HD HIS 15 3.781 -10.974 2.074 106 HD2 HIS 15 2HD HIS 15 0.726 -9.511 -0.348 107 HE1 HIS 15 1HE HIS 15 1.863 -12.582 2.340 108 HE2 HIS 15 2HE HIS 15 0.098 -11.778 0.731 109 H TYR 16 H TYR 16 3.638 -6.239 2.117 110 HA TYR 16 HA TYR 16 1.422 -6.946 3.759 111 HB2 TYR 16 2HB TYR 16 3.974 -5.525 4.141 112 HB3 TYR 16 1HB TYR 16 2.677 -5.121 5.270 113 HD1 TYR 16 1HD TYR 16 1.305 -7.813 5.170 114 HD2 TYR 16 2HD TYR 16 5.386 -6.730 5.693 115 HE1 TYR 16 1HE TYR 16 1.670 -9.878 6.420 116 HE2 TYR 16 2HE TYR 16 5.780 -8.814 6.940 117 HH TYR 16 HH TYR 16 4.525 -10.457 8.226 118 H PHE 17 H PHE 17 2.066 -4.212 1.751 119 HA PHE 17 HA PHE 17 0.108 -2.539 3.037 120 HB2 PHE 17 2HB PHE 17 2.067 -1.656 1.717 121 HB3 PHE 17 1HB PHE 17 1.245 -2.226 0.275 122 HD1 PHE 17 2HD PHE 17 0.385 -0.309 3.319 123 HD2 PHE 17 1HD PHE 17 0.083 -0.654 -0.910 124 HE1 PHE 17 2HE PHE 17 -0.941 1.775 3.264 125 HE2 PHE 17 1HE PHE 17 -1.254 1.401 -0.988 126 HZ PHE 17 HZ PHE 17 -1.772 2.624 1.096 127 H TRP 18 H TRP 18 0.250 -4.832 0.405 128 HA TRP 18 HA TRP 18 -2.465 -4.408 -0.451 129 HB2 TRP 18 2HB TRP 18 -0.626 -5.591 -1.775 130 HB3 TRP 18 1HB TRP 18 -0.867 -6.962 -0.712 131 HD1 TRP 18 HD TRP 18 -1.260 -8.121 -3.190 132 HE1 TRP 18 1HE TRP 18 -3.440 -8.512 -4.490 133 HE3 TRP 18 3HE TRP 18 -4.353 -4.693 -0.863 134 HZ2 TRP 18 2HZ TRP 18 -6.036 -7.596 -4.547 135 HZ3 TRP 18 3HZ TRP 18 -6.694 -4.538 -1.683 136 HH2 TRP 18 HH TRP 18 -7.495 -5.965 -3.463 137 H LEU 19 H LEU 19 -0.776 -6.191 1.972 138 HA LEU 19 HA LEU 19 -2.926 -7.889 2.772 139 HB2 LEU 19 2HB LEU 19 -0.376 -8.125 3.189 140 HB3 LEU 19 1HB LEU 19 -0.617 -6.989 4.496 141 HG LEU 19 HG LEU 19 -2.489 -9.174 4.722 142 HD11 LEU 19 1HD1 LEU 19 -0.799 -10.452 3.516 143 HD12 LEU 19 2HD1 LEU 19 -0.859 -10.931 5.213 144 HD13 LEU 19 3HD1 LEU 19 0.440 -9.882 4.635 145 HD21 LEU 19 3HD2 LEU 19 -1.643 -9.255 6.943 146 HD22 LEU 19 1HD2 LEU 19 -1.711 -7.554 6.475 147 HD23 LEU 19 2HD2 LEU 19 -0.166 -8.414 6.472 148 H LEU 20 H LEU 20 -1.739 -4.755 3.498 149 HA LEU 20 HA LEU 20 -3.455 -4.113 5.732 150 HB2 LEU 20 2HB LEU 20 -1.113 -3.235 5.027 151 HB3 LEU 20 1HB LEU 20 -1.968 -2.211 3.898 152 HG LEU 20 HG LEU 20 -1.320 -0.974 5.842 153 HD11 LEU 20 1HD1 LEU 20 -3.393 -0.228 4.917 154 HD12 LEU 20 2HD1 LEU 20 -3.555 -0.201 6.673 155 HD13 LEU 20 3HD1 LEU 20 -4.287 -1.508 5.745 156 HD21 LEU 20 3HD2 LEU 20 -2.778 -3.120 7.379 157 HD22 LEU 20 1HD2 LEU 20 -2.293 -1.570 8.081 158 HD23 LEU 20 2HD2 LEU 20 -1.067 -2.678 7.459 159 H LEU 21 H LEU 21 -3.387 -3.345 2.227 160 HA LEU 21 HA LEU 21 -5.599 -1.555 2.332 161 HB2 LEU 21 2HB LEU 21 -3.572 -1.679 0.774 162 HB3 LEU 21 1HB LEU 21 -4.421 -2.918 -0.075 163 HG LEU 21 HG LEU 21 -4.954 -1.132 -1.393 164 HD11 LEU 21 1HD1 LEU 21 -7.116 -0.151 -0.935 165 HD12 LEU 21 2HD1 LEU 21 -7.034 -0.703 0.743 166 HD13 LEU 21 3HD1 LEU 21 -7.130 -1.878 -0.569 167 HD21 LEU 21 3HD2 LEU 21 -3.562 0.384 -0.196 168 HD22 LEU 21 1HD2 LEU 21 -4.791 0.604 1.048 169 HD23 LEU 21 2HD2 LEU 21 -5.089 1.173 -0.596 170 H GLN 22 H GLN 22 -5.148 -5.006 1.478 171 HA GLN 22 HA GLN 22 -7.913 -5.334 0.726 172 HB2 GLN 22 2HB GLN 22 -6.150 -6.812 -0.193 173 HB3 GLN 22 1HB GLN 22 -5.871 -7.459 1.417 174 HG2 GLN 22 2HG GLN 22 -8.072 -8.413 1.480 175 HG3 GLN 22 1HG GLN 22 -8.494 -7.646 -0.048 176 HE21 GLN 22 1HE2 GLN 22 -9.003 -9.615 -0.986 177 HE22 GLN 22 2HE2 GLN 22 -7.791 -10.746 -1.468 178 H ARG 23 H ARG 23 -6.004 -5.810 3.648 179 HA ARG 23 HA ARG 23 -7.907 -7.002 5.293 180 HB2 ARG 23 2HB ARG 23 -5.540 -6.499 5.931 181 HB3 ARG 23 1HB ARG 23 -5.966 -4.808 6.038 182 HG2 ARG 23 2HG ARG 23 -7.647 -6.561 7.630 183 HG3 ARG 23 1HG ARG 23 -5.956 -6.543 8.107 184 HD2 ARG 23 2HD ARG 23 -7.783 -4.186 7.774 185 HD3 ARG 23 1HD ARG 23 -7.205 -4.869 9.295 186 HE ARG 23 HE ARG 23 -4.977 -4.232 7.707 187 HH11 ARG 23 1HH1 ARG 23 -7.655 -2.616 9.242 188 HH12 ARG 23 2HH1 ARG 23 -6.695 -1.262 9.738 189 HH21 ARG 23 1HH2 ARG 23 -3.769 -2.523 8.334 190 HH22 ARG 23 2HH2 ARG 23 -4.494 -1.234 9.170 191 H THR 24 H THR 24 -7.376 -3.595 4.551 192 HA THR 24 HA THR 24 -9.649 -2.741 6.077 193 HB THR 24 HB THR 24 -8.097 -1.134 4.040 194 HG1 THR 24 1HG THR 24 -6.510 -1.373 5.425 195 HG21 THR 24 3HG2 THR 24 -8.822 0.755 5.507 196 HG22 THR 24 1HG2 THR 24 -9.839 -0.386 6.385 197 HG23 THR 24 2HG2 THR 24 -10.152 -0.059 4.675 198 H TYR 25 H TYR 25 -8.897 -2.351 2.603 199 HA TYR 25 HA TYR 25 -11.774 -2.282 2.080 200 HB2 TYR 25 2HB TYR 25 -9.531 -1.626 0.158 201 HB3 TYR 25 1HB TYR 25 -11.245 -1.285 -0.053 202 HD1 TYR 25 2HD TYR 25 -11.638 -0.309 2.888 203 HD2 TYR 25 1HD TYR 25 -8.814 0.631 -0.150 204 HE1 TYR 25 2HE TYR 25 -11.287 1.903 3.900 205 HE2 TYR 25 1HE TYR 25 -8.462 2.848 0.859 206 HH TYR 25 HH TYR 25 -9.467 4.378 2.289 207 H THR 26 H THR 26 -12.347 -4.343 2.114 208 HA THR 26 HA THR 26 -10.853 -6.479 0.975 209 HB THR 26 HB THR 26 -13.620 -7.136 1.427 210 HG1 THR 26 1HG THR 26 -12.362 -5.847 3.637 211 HG21 THR 26 3HG2 THR 26 -11.754 -8.693 1.681 212 HG22 THR 26 1HG2 THR 26 -12.645 -8.542 3.196 213 HG23 THR 26 2HG2 THR 26 -11.100 -7.715 2.996 214 H LYS 27 H LYS 27 -12.909 -8.031 -0.152 215 HA LYS 27 HA LYS 27 -13.097 -6.883 -2.794 216 HB2 LYS 27 2HB LYS 27 -14.335 -9.103 -3.221 217 HB3 LYS 27 1HB LYS 27 -12.619 -9.169 -2.852 218 HG2 LYS 27 2HG LYS 27 -12.974 -10.025 -0.733 219 HG3 LYS 27 1HG LYS 27 -14.642 -9.456 -0.672 220 HD2 LYS 27 2HD LYS 27 -14.498 -11.901 -0.950 221 HD3 LYS 27 1HD LYS 27 -15.289 -11.127 -2.323 222 HE2 LYS 27 2HE LYS 27 -13.778 -12.783 -3.165 223 HE3 LYS 27 1HE LYS 27 -13.120 -11.193 -3.537 224 HZ1 LYS 27 3HZ LYS 27 -11.293 -12.298 -2.748 225 HZ2 LYS 27 1HZ LYS 27 -12.178 -13.195 -1.599 226 HZ3 LYS 27 2HZ LYS 27 -11.845 -11.556 -1.325 227 H THR 28 H THR 28 -15.176 -7.455 -0.050 228 HA THR 28 HA THR 28 -17.345 -6.098 -1.475 229 HB THR 28 HB THR 28 -17.924 -8.436 -1.555 230 HG1 THR 28 1HG THR 28 -19.935 -8.187 -0.816 231 HG21 THR 28 3HG2 THR 28 -17.582 -8.454 1.446 232 HG22 THR 28 1HG2 THR 28 -16.547 -9.268 0.272 233 HG23 THR 28 2HG2 THR 28 -18.222 -9.783 0.478 234 H GLY 29 H GLY 29 -15.857 -6.914 1.628 235 HA2 GLY 29 2HA GLY 29 -17.455 -5.621 3.358 236 HA3 GLY 29 1HA GLY 29 -15.730 -5.763 3.567 237 H LYS 30 H LYS 30 -14.509 -4.208 2.005 238 HA LYS 30 HA LYS 30 -15.878 -1.607 1.893 239 HB2 LYS 30 2HB LYS 30 -12.957 -2.072 2.556 240 HB3 LYS 30 1HB LYS 30 -13.747 -0.508 2.410 241 HG2 LYS 30 2HG LYS 30 -14.538 -2.587 4.431 242 HG3 LYS 30 1HG LYS 30 -13.378 -1.294 4.746 243 HD2 LYS 30 2HD LYS 30 -14.993 0.355 4.635 244 HD3 LYS 30 1HD LYS 30 -16.084 -0.637 3.664 245 HE2 LYS 30 2HE LYS 30 -16.862 -0.330 5.981 246 HE3 LYS 30 1HE LYS 30 -16.593 -2.017 5.563 247 HZ1 LYS 30 3HZ LYS 30 -15.695 -1.693 7.697 248 HZ2 LYS 30 1HZ LYS 30 -14.885 -0.278 7.248 249 HZ3 LYS 30 2HZ LYS 30 -14.367 -1.773 6.655 250 HA PRO 31 HA PRO 31 -14.986 -2.277 -2.429 251 HB2 PRO 31 2HB PRO 31 -15.624 0.616 -2.579 252 HB3 PRO 31 1HB PRO 31 -16.328 -0.739 -3.471 253 HG2 PRO 31 2HG PRO 31 -17.672 0.480 -1.502 254 HG3 PRO 31 1HG PRO 31 -17.809 -1.266 -1.778 255 HD2 PRO 31 2HD PRO 31 -16.291 0.213 0.323 256 HD3 PRO 31 1HD PRO 31 -17.153 -1.335 0.430 257 H LYS 32 H LYS 32 -12.949 -2.322 -3.175 258 HA LYS 32 HA LYS 32 -10.869 -0.653 -2.399 259 HB2 LYS 32 2HB LYS 32 -10.422 -2.716 -3.597 260 HB3 LYS 32 1HB LYS 32 -11.249 -2.125 -5.019 261 HG2 LYS 32 2HG LYS 32 -9.383 -1.218 -5.793 262 HG3 LYS 32 1HG LYS 32 -9.145 -0.310 -4.303 263 HD2 LYS 32 2HD LYS 32 -8.289 -3.155 -4.811 264 HD3 LYS 32 1HD LYS 32 -7.234 -1.752 -4.759 265 HE2 LYS 32 2HE LYS 32 -6.955 -2.661 -2.651 266 HE3 LYS 32 1HE LYS 32 -8.174 -1.425 -2.374 267 HZ1 LYS 32 3HZ LYS 32 -8.697 -4.333 -2.713 268 HZ2 LYS 32 1HZ LYS 32 -9.879 -3.151 -2.462 269 HZ3 LYS 32 2HZ LYS 32 -8.752 -3.482 -1.250 270 HA PRO 33 HA PRO 33 -12.343 3.242 -3.487 271 HB2 PRO 33 2HB PRO 33 -9.386 3.713 -3.785 272 HB3 PRO 33 1HB PRO 33 -10.548 4.664 -2.898 273 HG2 PRO 33 2HG PRO 33 -9.181 3.125 -1.485 274 HG3 PRO 33 1HG PRO 33 -10.937 2.928 -1.326 275 HD2 PRO 33 2HD PRO 33 -9.028 1.395 -3.060 276 HD3 PRO 33 1HD PRO 33 -10.094 0.778 -1.803 277 H SER 34 H SER 34 -12.797 4.567 -5.174 278 HA SER 34 HA SER 34 -12.275 3.574 -7.809 279 HB2 SER 34 2HB SER 34 -13.565 6.197 -7.043 280 HB3 SER 34 1HB SER 34 -13.784 5.287 -8.539 281 HG SER 34 HG SER 34 -14.897 3.720 -7.425 282 H THR 35 H THR 35 -10.906 5.781 -5.649 283 HA THR 35 HA THR 35 -8.712 6.299 -7.465 284 HB THR 35 HB THR 35 -10.069 8.671 -6.161 285 HG1 THR 35 1HG THR 35 -10.611 7.370 -8.546 286 HG21 THR 35 3HG2 THR 35 -7.916 8.413 -8.260 287 HG22 THR 35 1HG2 THR 35 -7.692 8.947 -6.595 288 HG23 THR 35 2HG2 THR 35 -8.629 9.935 -7.721 289 H TRP 36 H TRP 36 -6.798 6.709 -6.373 290 HA TRP 36 HA TRP 36 -6.621 5.669 -3.784 291 HB2 TRP 36 2HB TRP 36 -4.735 5.341 -5.069 292 HB3 TRP 36 1HB TRP 36 -4.664 7.005 -5.582 293 HD1 TRP 36 HD TRP 36 -2.876 8.443 -4.387 294 HE1 TRP 36 1HE TRP 36 -1.470 8.209 -2.242 295 HE3 TRP 36 3HE TRP 36 -4.998 4.172 -2.502 296 HZ2 TRP 36 2HZ TRP 36 -1.316 6.455 -0.033 297 HZ3 TRP 36 3HZ TRP 36 -4.156 3.295 -0.368 298 HH2 TRP 36 HH TRP 36 -2.352 4.411 0.833 299 H ASP 37 H ASP 37 -7.416 8.836 -4.757 300 HA ASP 37 HA ASP 37 -6.396 10.394 -2.658 301 HB2 ASP 37 2HB ASP 37 -7.417 11.367 -4.661 302 HB3 ASP 37 1HB ASP 37 -8.981 10.707 -4.206 303 H LEU 38 H LEU 38 -9.650 8.922 -2.932 304 HA LEU 38 HA LEU 38 -10.361 9.564 -0.252 305 HB2 LEU 38 2HB LEU 38 -12.243 7.957 -0.624 306 HB3 LEU 38 1HB LEU 38 -12.133 9.239 -1.811 307 HG LEU 38 HG LEU 38 -10.672 6.942 -2.744 308 HD11 LEU 38 1HD1 LEU 38 -12.590 5.418 -3.058 309 HD12 LEU 38 2HD1 LEU 38 -13.560 6.442 -1.996 310 HD13 LEU 38 3HD1 LEU 38 -12.150 5.596 -1.359 311 HD21 LEU 38 3HD2 LEU 38 -11.540 8.764 -4.131 312 HD22 LEU 38 1HD2 LEU 38 -13.187 8.268 -3.743 313 HD23 LEU 38 2HD2 LEU 38 -12.138 7.193 -4.664 314 H ALA 39 H ALA 39 -8.705 6.975 -1.787 315 HA ALA 39 HA ALA 39 -9.048 4.960 0.156 316 HB1 ALA 39 1HB ALA 39 -7.185 3.866 -0.932 317 HB2 ALA 39 2HB ALA 39 -6.739 5.372 -1.735 318 HB3 ALA 39 3HB ALA 39 -8.259 4.557 -2.150 319 H SER 40 H SER 40 -6.473 7.282 -0.472 320 HA SER 40 HA SER 40 -4.850 6.421 1.676 321 HB2 SER 40 2HB SER 40 -3.607 8.541 1.214 322 HB3 SER 40 1HB SER 40 -3.841 7.517 -0.194 323 HG SER 40 HG SER 40 -5.338 8.898 -0.982 324 H LYS 41 H LYS 41 -7.209 9.002 1.272 325 HA LYS 41 HA LYS 41 -6.723 10.431 3.612 326 HB2 LYS 41 2HB LYS 41 -8.163 11.268 1.829 327 HB3 LYS 41 1HB LYS 41 -9.345 10.013 2.164 328 HG2 LYS 41 2HG LYS 41 -9.482 11.020 4.513 329 HG3 LYS 41 1HG LYS 41 -8.644 12.409 3.820 330 HD2 LYS 41 2HD LYS 41 -11.373 11.331 3.173 331 HD3 LYS 41 1HD LYS 41 -10.914 12.964 3.647 332 HE2 LYS 41 2HE LYS 41 -9.760 11.943 1.121 333 HE3 LYS 41 1HE LYS 41 -11.484 12.277 1.125 334 HZ1 LYS 41 3HZ LYS 41 -9.411 14.233 1.950 335 HZ2 LYS 41 1HZ LYS 41 -11.072 14.528 1.798 336 HZ3 LYS 41 2HZ LYS 41 -10.137 14.199 0.421 337 H GLU 42 H GLU 42 -8.896 7.619 3.116 338 HA GLU 42 HA GLU 42 -9.590 7.668 5.927 339 HB2 GLU 42 2HB GLU 42 -11.245 6.968 4.196 340 HB3 GLU 42 1HB GLU 42 -10.256 5.547 3.881 341 HG2 GLU 42 2HG GLU 42 -10.675 4.641 6.004 342 HG3 GLU 42 1HG GLU 42 -11.305 6.163 6.621 343 H LEU 43 H LEU 43 -7.382 6.046 3.826 344 HA LEU 43 HA LEU 43 -6.670 3.839 5.392 345 HB2 LEU 43 2HB LEU 43 -5.968 4.778 2.938 346 HB3 LEU 43 1HB LEU 43 -4.510 5.126 3.848 347 HG LEU 43 HG LEU 43 -4.193 3.021 2.815 348 HD11 LEU 43 1HD1 LEU 43 -3.372 3.057 5.065 349 HD12 LEU 43 2HD1 LEU 43 -4.012 1.455 4.692 350 HD13 LEU 43 3HD1 LEU 43 -4.950 2.576 5.684 351 HD21 LEU 43 3HD2 LEU 43 -6.845 2.176 3.966 352 HD22 LEU 43 1HD2 LEU 43 -5.754 1.168 3.014 353 HD23 LEU 43 2HD2 LEU 43 -6.529 2.569 2.276 354 H GLY 44 H GLY 44 -5.592 7.195 5.472 355 HA2 GLY 44 2HA GLY 44 -3.200 6.908 6.852 356 HA3 GLY 44 1HA GLY 44 -4.197 8.342 6.903 357 H GLU 45 H GLU 45 -3.120 5.577 8.504 358 HA GLU 45 HA GLU 45 -3.637 6.207 11.036 359 HB2 GLU 45 2HB GLU 45 -6.081 5.964 10.241 360 HB3 GLU 45 1HB GLU 45 -5.748 4.243 10.145 361 HG2 GLU 45 2HG GLU 45 -5.518 5.907 12.648 362 HG3 GLU 45 1HG GLU 45 -6.907 4.916 12.217 363 H SER 46 H SER 46 -4.106 3.378 8.922 364 HA SER 46 HA SER 46 -2.521 1.711 10.643 365 HB2 SER 46 2HB SER 46 -3.554 1.271 7.837 366 HB3 SER 46 1HB SER 46 -2.699 0.052 8.780 367 HG SER 46 HG SER 46 -4.858 1.288 10.021 368 H LEU 47 H LEU 47 -0.385 1.383 10.593 369 HA LEU 47 HA LEU 47 1.012 3.516 9.415 370 HB2 LEU 47 2HB LEU 47 3.055 2.229 10.412 371 HB3 LEU 47 1HB LEU 47 1.963 3.159 11.412 372 HG LEU 47 HG LEU 47 2.675 1.013 12.416 373 HD11 LEU 47 1HD1 LEU 47 -0.277 1.078 11.835 374 HD12 LEU 47 2HD1 LEU 47 0.544 2.012 13.084 375 HD13 LEU 47 3HD1 LEU 47 0.514 0.250 13.177 376 HD21 LEU 47 3HD2 LEU 47 2.788 -0.189 10.232 377 HD22 LEU 47 1HD2 LEU 47 1.034 -0.353 10.310 378 HD23 LEU 47 2HD2 LEU 47 2.045 -1.087 11.557 379 H GLU 48 H GLU 48 0.221 0.667 7.891 380 HA GLU 48 HA GLU 48 2.813 0.212 6.712 381 HB2 GLU 48 2HB GLU 48 0.764 -1.427 7.027 382 HB3 GLU 48 1HB GLU 48 0.240 -0.758 5.521 383 HG2 GLU 48 2HG GLU 48 1.576 -2.908 5.460 384 HG3 GLU 48 1HG GLU 48 2.015 -1.610 4.360 385 H TYR 49 H TYR 49 0.070 2.220 6.159 386 HA TYR 49 HA TYR 49 0.990 2.930 3.489 387 HB2 TYR 49 2HB TYR 49 -1.214 3.314 3.338 388 HB3 TYR 49 1HB TYR 49 -1.422 3.362 5.066 389 HD1 TYR 49 2HD TYR 49 -0.714 5.335 2.042 390 HD2 TYR 49 1HD TYR 49 -1.597 5.483 6.210 391 HE1 TYR 49 2HE TYR 49 -1.224 7.737 1.853 392 HE2 TYR 49 1HE TYR 49 -2.105 7.879 6.034 393 HH TYR 49 HH TYR 49 -2.799 9.410 3.340 394 H LYS 50 H LYS 50 1.606 3.734 6.701 395 HA LYS 50 HA LYS 50 2.842 6.289 6.068 396 HB2 LYS 50 2HB LYS 50 1.917 5.049 8.413 397 HB3 LYS 50 1HB LYS 50 3.658 5.131 8.585 398 HG2 LYS 50 2HG LYS 50 3.616 7.523 8.189 399 HG3 LYS 50 1HG LYS 50 1.869 7.457 7.960 400 HD2 LYS 50 2HD LYS 50 3.379 6.829 10.490 401 HD3 LYS 50 1HD LYS 50 2.335 8.221 10.193 402 HE2 LYS 50 2HE LYS 50 0.474 6.553 9.768 403 HE3 LYS 50 1HE LYS 50 1.547 5.328 10.432 404 HZ1 LYS 50 3HZ LYS 50 1.090 7.764 11.993 405 HZ2 LYS 50 1HZ LYS 50 1.414 6.190 12.526 406 HZ3 LYS 50 2HZ LYS 50 -0.133 6.597 11.957 407 H ALA 51 H ALA 51 3.489 3.028 5.773 408 HA ALA 51 HA ALA 51 6.352 3.188 6.111 409 HB1 ALA 51 1HB ALA 51 4.634 1.033 4.882 410 HB2 ALA 51 2HB ALA 51 5.128 1.115 6.572 411 HB3 ALA 51 3HB ALA 51 6.339 0.881 5.310 412 H LEU 52 H LEU 52 4.238 4.296 3.865 413 HA LEU 52 HA LEU 52 6.255 4.186 1.729 414 HB2 LEU 52 2HB LEU 52 3.270 4.122 1.322 415 HB3 LEU 52 1HB LEU 52 4.503 4.028 0.084 416 HG LEU 52 HG LEU 52 3.949 1.937 2.180 417 HD11 LEU 52 1HD1 LEU 52 3.269 0.676 0.068 418 HD12 LEU 52 2HD1 LEU 52 3.226 2.272 -0.707 419 HD13 LEU 52 3HD1 LEU 52 2.178 1.925 0.669 420 HD21 LEU 52 3HD2 LEU 52 6.308 1.964 1.548 421 HD22 LEU 52 1HD2 LEU 52 5.862 1.921 -0.157 422 HD23 LEU 52 2HD2 LEU 52 5.502 0.545 0.882 423 H GLY 53 H GLY 53 5.476 6.168 3.856 424 HA2 GLY 53 2HA GLY 53 4.262 8.393 2.615 425 HA3 GLY 53 1HA GLY 53 5.317 8.464 4.014 426 H ASP 54 H ASP 54 7.255 6.972 2.212 427 HA ASP 54 HA ASP 54 8.400 9.360 1.026 428 HB2 ASP 54 2HB ASP 54 10.339 7.680 0.750 429 HB3 ASP 54 1HB ASP 54 10.020 8.339 2.336 430 H GLU 55 H GLU 55 7.839 5.942 0.259 431 HA GLU 55 HA GLU 55 7.976 6.411 -2.603 432 HB2 GLU 55 2HB GLU 55 7.408 3.970 -0.933 433 HB3 GLU 55 1HB GLU 55 7.253 3.963 -2.677 434 HG2 GLU 55 2HG GLU 55 9.765 4.531 -1.118 435 HG3 GLU 55 1HG GLU 55 9.404 3.080 -2.035 436 H ASP 56 H ASP 56 6.249 8.100 -2.255 437 HA ASP 56 HA ASP 56 3.583 7.411 -1.658 438 HB2 ASP 56 2HB ASP 56 4.416 9.738 -1.656 439 HB3 ASP 56 1HB ASP 56 4.615 9.680 -3.402 440 H ASN 57 H ASN 57 5.323 7.618 -4.769 441 HA ASN 57 HA ASN 57 2.895 7.399 -6.325 442 HB2 ASN 57 2HB ASN 57 4.856 6.922 -8.122 443 HB3 ASN 57 1HB ASN 57 4.434 8.542 -7.581 444 HD21 ASN 57 1HD2 ASN 57 6.206 6.052 -5.824 445 HD22 ASN 57 2HD2 ASN 57 7.638 6.972 -5.625 446 H ILE 58 H ILE 58 5.282 5.281 -5.002 447 HA ILE 58 HA ILE 58 4.633 2.971 -6.476 448 HB ILE 58 HB ILE 58 6.097 3.557 -3.951 449 HG12 ILE 58 2HG1 ILE 58 7.885 2.367 -5.055 450 HG13 ILE 58 1HG1 ILE 58 6.778 1.788 -6.284 451 HG21 ILE 58 1HG2 ILE 58 4.738 1.708 -3.218 452 HG22 ILE 58 2HG2 ILE 58 6.390 1.148 -3.482 453 HG23 ILE 58 3HG2 ILE 58 5.138 0.791 -4.672 454 HD11 ILE 58 3HD1 ILE 58 6.532 3.956 -7.204 455 HD12 ILE 58 1HD1 ILE 58 8.251 3.601 -7.045 456 HD13 ILE 58 2HD1 ILE 58 7.456 4.675 -5.886 457 H ARG 59 H ARG 59 3.681 4.199 -3.331 458 HA ARG 59 HA ARG 59 1.968 2.187 -2.511 459 HB2 ARG 59 2HB ARG 59 2.674 3.647 -0.902 460 HB3 ARG 59 1HB ARG 59 2.364 5.059 -1.876 461 HG2 ARG 59 2HG ARG 59 -0.018 4.811 -1.482 462 HG3 ARG 59 1HG ARG 59 0.289 3.356 -0.541 463 HD2 ARG 59 2HD ARG 59 -0.041 5.605 0.673 464 HD3 ARG 59 1HD ARG 59 1.247 4.533 1.177 465 HE ARG 59 HE ARG 59 2.820 5.987 0.045 466 HH11 ARG 59 1HH1 ARG 59 -0.427 7.255 0.296 467 HH12 ARG 59 2HH1 ARG 59 0.086 8.911 0.283 468 HH21 ARG 59 1HH2 ARG 59 3.490 8.158 0.079 469 HH22 ARG 59 2HH2 ARG 59 2.300 9.422 0.112 470 H ARG 60 H ARG 60 1.046 5.257 -4.125 471 HA ARG 60 HA ARG 60 -1.663 4.656 -4.500 472 HB2 ARG 60 2HB ARG 60 -1.152 6.129 -6.708 473 HB3 ARG 60 1HB ARG 60 -1.347 6.819 -5.103 474 HG2 ARG 60 2HG ARG 60 0.995 6.963 -4.789 475 HG3 ARG 60 1HG ARG 60 1.301 6.000 -6.221 476 HD2 ARG 60 2HD ARG 60 1.642 8.541 -6.325 477 HD3 ARG 60 1HD ARG 60 0.835 7.731 -7.655 478 HE ARG 60 HE ARG 60 -0.455 9.373 -5.582 479 HH11 ARG 60 1HH1 ARG 60 -0.552 7.841 -8.735 480 HH12 ARG 60 2HH1 ARG 60 -2.024 8.639 -9.192 481 HH21 ARG 60 1HH2 ARG 60 -2.355 10.393 -6.175 482 HH22 ARG 60 2HH2 ARG 60 -3.048 10.073 -7.731 483 H GLN 61 H GLN 61 1.150 3.810 -6.487 484 HA GLN 61 HA GLN 61 -0.334 2.865 -8.706 485 HB2 GLN 61 2HB GLN 61 2.492 2.799 -7.836 486 HB3 GLN 61 1HB GLN 61 2.008 1.479 -8.899 487 HG2 GLN 61 2HG GLN 61 1.812 4.432 -9.438 488 HG3 GLN 61 1HG GLN 61 2.813 3.236 -10.273 489 HE21 GLN 61 1HE2 GLN 61 -0.435 4.330 -9.695 490 HE22 GLN 61 2HE2 GLN 61 -1.163 3.532 -11.027 491 H ILE 62 H ILE 62 1.228 1.028 -6.002 492 HA ILE 62 HA ILE 62 0.395 -1.496 -6.931 493 HB ILE 62 HB ILE 62 0.331 -1.413 -4.026 494 HG12 ILE 62 2HG1 ILE 62 3.041 -0.814 -5.129 495 HG13 ILE 62 1HG1 ILE 62 1.963 0.520 -4.747 496 HG21 ILE 62 1HG2 ILE 62 2.044 -3.148 -4.325 497 HG22 ILE 62 2HG2 ILE 62 2.103 -2.768 -6.045 498 HG23 ILE 62 3HG2 ILE 62 0.625 -3.421 -5.337 499 HD11 ILE 62 3HD1 ILE 62 1.750 -0.345 -2.453 500 HD12 ILE 62 1HD1 ILE 62 3.409 0.084 -2.877 501 HD13 ILE 62 2HD1 ILE 62 2.914 -1.611 -2.854 502 H PHE 63 H PHE 63 -1.090 0.727 -4.609 503 HA PHE 63 HA PHE 63 -3.282 -0.743 -3.876 504 HB2 PHE 63 2HB PHE 63 -3.153 1.179 -2.669 505 HB3 PHE 63 1HB PHE 63 -2.720 2.143 -4.071 506 HD1 PHE 63 2HD PHE 63 -5.522 0.340 -2.487 507 HD2 PHE 63 1HD PHE 63 -4.351 3.428 -5.194 508 HE1 PHE 63 2HE PHE 63 -7.868 1.037 -2.701 509 HE2 PHE 63 1HE PHE 63 -6.700 4.109 -5.426 510 HZ PHE 63 HZ PHE 63 -8.458 2.919 -4.171 511 H GLU 64 H GLU 64 -3.039 1.500 -6.553 512 HA GLU 64 HA GLU 64 -5.596 1.227 -7.584 513 HB2 GLU 64 2HB GLU 64 -4.128 3.003 -8.291 514 HB3 GLU 64 1HB GLU 64 -2.961 1.854 -8.926 515 HG2 GLU 64 2HG GLU 64 -4.123 2.823 -10.755 516 HG3 GLU 64 1HG GLU 64 -4.656 1.156 -10.585 517 H ASP 65 H ASP 65 -2.672 -0.641 -8.195 518 HA ASP 65 HA ASP 65 -3.926 -2.216 -10.264 519 HB2 ASP 65 2HB ASP 65 -1.490 -1.481 -10.222 520 HB3 ASP 65 1HB ASP 65 -1.238 -2.709 -8.988 521 H PHE 66 H PHE 66 -4.031 -2.383 -6.909 522 HA PHE 66 HA PHE 66 -3.389 -5.013 -6.290 523 HB2 PHE 66 2HB PHE 66 -5.232 -2.991 -5.090 524 HB3 PHE 66 1HB PHE 66 -5.193 -4.613 -4.446 525 HD1 PHE 66 1HD PHE 66 -2.001 -4.614 -5.140 526 HD2 PHE 66 2HD PHE 66 -4.687 -2.263 -2.829 527 HE1 PHE 66 1HE PHE 66 -0.162 -3.996 -3.626 528 HE2 PHE 66 2HE PHE 66 -2.867 -1.630 -1.310 529 HZ PHE 66 HZ PHE 66 -0.583 -2.497 -1.718 530 H LYS 67 H LYS 67 -6.548 -3.649 -6.848 531 HA LYS 67 HA LYS 67 -8.487 -4.403 -7.647 532 HB2 LYS 67 2HB LYS 67 -6.933 -6.691 -8.859 533 HB3 LYS 67 1HB LYS 67 -8.511 -6.113 -9.353 534 HG2 LYS 67 2HG LYS 67 -5.827 -4.897 -9.811 535 HG3 LYS 67 1HG LYS 67 -7.112 -5.243 -10.966 536 HD2 LYS 67 2HD LYS 67 -8.429 -3.475 -9.581 537 HD3 LYS 67 1HD LYS 67 -6.837 -2.967 -9.053 538 HE2 LYS 67 2HE LYS 67 -6.185 -2.801 -11.486 539 HE3 LYS 67 1HE LYS 67 -7.884 -3.055 -11.881 540 HZ1 LYS 67 3HZ LYS 67 -7.341 -0.694 -11.858 541 HZ2 LYS 67 1HZ LYS 67 -6.801 -0.811 -10.255 542 HZ3 LYS 67 2HZ LYS 67 -8.434 -1.057 -10.616 543 HA PRO 68 HA PRO 68 -9.859 -6.973 -4.245 544 HB2 PRO 68 2HB PRO 68 -12.445 -7.032 -5.357 545 HB3 PRO 68 1HB PRO 68 -11.860 -5.986 -4.078 546 HG2 PRO 68 2HG PRO 68 -12.201 -5.448 -6.969 547 HG3 PRO 68 1HG PRO 68 -12.257 -4.319 -5.624 548 HD2 PRO 68 2HD PRO 68 -10.240 -4.390 -7.301 549 HD3 PRO 68 1HD PRO 68 -10.015 -3.997 -5.597 550 H GLU 69 H GLU 69 -12.049 -8.475 -4.517 551 HA GLU 69 HA GLU 69 -12.600 -10.646 -4.695 552 HB2 GLU 69 2HB GLU 69 -13.134 -9.874 -7.007 553 HB3 GLU 69 1HB GLU 69 -11.550 -10.441 -7.519 554 HG2 GLU 69 2HG GLU 69 -12.113 -12.701 -7.017 555 HG3 GLU 69 1HG GLU 69 -13.613 -12.209 -6.235 Start of MODEL 4 1 H ASN 5 H ASN 5 19.279 -3.300 -0.518 2 HA ASN 5 HA ASN 5 17.886 -5.254 1.082 3 HB2 ASN 5 2HB ASN 5 20.068 -4.297 1.767 4 HB3 ASN 5 1HB ASN 5 19.284 -2.738 1.963 5 HD21 ASN 5 1HD2 ASN 5 17.860 -5.829 2.766 6 HD22 ASN 5 2HD2 ASN 5 17.816 -5.581 4.468 7 H GLU 6 H GLU 6 17.637 -1.926 0.248 8 HA GLU 6 HA GLU 6 15.309 -1.413 1.833 9 HB2 GLU 6 2HB GLU 6 15.406 0.674 0.182 10 HB3 GLU 6 1HB GLU 6 16.540 0.499 1.521 11 HG2 GLU 6 2HG GLU 6 17.901 1.011 -0.293 12 HG3 GLU 6 1HG GLU 6 18.039 -0.716 -0.126 13 H ARG 7 H ARG 7 16.054 -2.435 -1.404 14 HA ARG 7 HA ARG 7 13.440 -2.194 -2.457 15 HB2 ARG 7 2HB ARG 7 15.881 -3.746 -3.245 16 HB3 ARG 7 1HB ARG 7 14.353 -4.021 -4.068 17 HG2 ARG 7 2HG ARG 7 16.018 -1.530 -3.988 18 HG3 ARG 7 1HG ARG 7 15.468 -2.449 -5.389 19 HD2 ARG 7 2HD ARG 7 13.100 -1.840 -4.586 20 HD3 ARG 7 1HD ARG 7 13.902 -0.626 -3.595 21 HE ARG 7 HE ARG 7 13.726 -0.677 -6.523 22 HH11 ARG 7 1HH1 ARG 7 15.001 0.928 -3.660 23 HH12 ARG 7 2HH1 ARG 7 15.037 2.486 -4.419 24 HH21 ARG 7 1HH2 ARG 7 13.788 1.385 -7.495 25 HH22 ARG 7 2HH2 ARG 7 14.353 2.755 -6.584 26 H ARG 8 H ARG 8 15.166 -4.865 -0.846 27 HA ARG 8 HA ARG 8 13.029 -6.697 -1.003 28 HB2 ARG 8 2HB ARG 8 15.335 -7.352 -0.337 29 HB3 ARG 8 1HB ARG 8 15.105 -6.512 1.195 30 HG2 ARG 8 2HG ARG 8 13.392 -8.026 1.862 31 HG3 ARG 8 1HG ARG 8 13.338 -8.758 0.259 32 HD2 ARG 8 2HD ARG 8 14.536 -10.275 1.551 33 HD3 ARG 8 1HD ARG 8 15.771 -9.401 0.658 34 HE ARG 8 HE ARG 8 15.433 -8.123 3.119 35 HH11 ARG 8 1HH1 ARG 8 16.544 -11.193 1.843 36 HH12 ARG 8 2HH1 ARG 8 17.587 -11.537 3.194 37 HH21 ARG 8 1HH2 ARG 8 16.785 -8.585 4.935 38 HH22 ARG 8 2HH2 ARG 8 17.707 -10.062 4.959 39 H ILE 9 H ILE 9 13.906 -4.248 1.399 40 HA ILE 9 HA ILE 9 11.776 -4.620 3.175 41 HB ILE 9 HB ILE 9 13.332 -2.171 2.372 42 HG12 ILE 9 2HG1 ILE 9 13.367 -3.776 4.924 43 HG13 ILE 9 1HG1 ILE 9 14.496 -3.997 3.587 44 HG21 ILE 9 1HG2 ILE 9 12.399 -1.046 4.358 45 HG22 ILE 9 2HG2 ILE 9 11.293 -2.399 4.585 46 HG23 ILE 9 3HG2 ILE 9 11.168 -1.391 3.144 47 HD11 ILE 9 3HD1 ILE 9 15.186 -1.639 3.854 48 HD12 ILE 9 1HD1 ILE 9 15.530 -2.642 5.265 49 HD13 ILE 9 2HD1 ILE 9 14.154 -1.539 5.280 50 H LEU 10 H LEU 10 12.007 -2.616 0.252 51 HA LEU 10 HA LEU 10 9.531 -1.336 0.467 52 HB2 LEU 10 2HB LEU 10 11.541 -0.780 -0.993 53 HB3 LEU 10 1HB LEU 10 10.944 -1.992 -2.106 54 HG LEU 10 HG LEU 10 8.796 -0.672 -2.232 55 HD11 LEU 10 1HD1 LEU 10 8.923 0.628 -0.250 56 HD12 LEU 10 2HD1 LEU 10 9.052 1.748 -1.607 57 HD13 LEU 10 3HD1 LEU 10 10.495 1.281 -0.701 58 HD21 LEU 10 3HD2 LEU 10 11.351 0.657 -3.132 59 HD22 LEU 10 1HD2 LEU 10 9.742 0.973 -3.785 60 HD23 LEU 10 2HD2 LEU 10 10.480 -0.616 -3.986 61 H GLU 11 H GLU 11 10.453 -4.251 -1.390 62 HA GLU 11 HA GLU 11 7.824 -4.705 -2.395 63 HB2 GLU 11 2HB GLU 11 10.098 -6.669 -2.074 64 HB3 GLU 11 1HB GLU 11 8.659 -6.915 -3.056 65 HG2 GLU 11 2HG GLU 11 10.651 -4.704 -3.489 66 HG3 GLU 11 1HG GLU 11 10.675 -6.245 -4.341 67 H GLN 12 H GLN 12 9.555 -5.762 0.463 68 HA GLN 12 HA GLN 12 7.653 -7.569 1.451 69 HB2 GLN 12 2HB GLN 12 9.899 -7.309 2.406 70 HB3 GLN 12 1HB GLN 12 9.477 -5.699 2.964 71 HG2 GLN 12 2HG GLN 12 7.808 -6.633 4.458 72 HG3 GLN 12 1HG GLN 12 8.189 -8.257 3.882 73 HE21 GLN 12 1HE2 GLN 12 10.567 -5.766 4.361 74 HE22 GLN 12 2HE2 GLN 12 11.373 -6.508 5.699 75 H LYS 13 H LYS 13 8.015 -4.060 1.892 76 HA LYS 13 HA LYS 13 5.666 -3.695 3.409 77 HB2 LYS 13 2HB LYS 13 7.244 -1.825 1.635 78 HB3 LYS 13 1HB LYS 13 5.816 -1.300 2.520 79 HG2 LYS 13 2HG LYS 13 8.276 -2.494 3.788 80 HG3 LYS 13 1HG LYS 13 7.934 -0.766 3.671 81 HD2 LYS 13 2HD LYS 13 5.984 -0.996 5.044 82 HD3 LYS 13 1HD LYS 13 6.115 -2.754 5.018 83 HE2 LYS 13 2HE LYS 13 8.234 -2.604 6.240 84 HE3 LYS 13 1HE LYS 13 8.082 -0.846 6.275 85 HZ1 LYS 13 3HZ LYS 13 7.296 -2.206 8.294 86 HZ2 LYS 13 1HZ LYS 13 5.929 -2.550 7.349 87 HZ3 LYS 13 2HZ LYS 13 6.312 -0.944 7.732 88 H LYS 14 H LYS 14 6.268 -3.778 -0.067 89 HA LYS 14 HA LYS 14 3.872 -2.867 -1.058 90 HB2 LYS 14 2HB LYS 14 5.923 -3.523 -2.343 91 HB3 LYS 14 1HB LYS 14 5.433 -5.203 -2.163 92 HG2 LYS 14 2HG LYS 14 3.538 -4.924 -3.496 93 HG3 LYS 14 1HG LYS 14 3.625 -3.168 -3.407 94 HD2 LYS 14 2HD LYS 14 5.861 -4.727 -4.636 95 HD3 LYS 14 1HD LYS 14 4.397 -4.388 -5.562 96 HE2 LYS 14 2HE LYS 14 4.707 -1.975 -5.069 97 HE3 LYS 14 1HE LYS 14 6.233 -2.362 -4.276 98 HZ1 LYS 14 3HZ LYS 14 6.443 -1.622 -6.620 99 HZ2 LYS 14 1HZ LYS 14 5.618 -3.019 -7.102 100 HZ3 LYS 14 2HZ LYS 14 7.119 -3.151 -6.325 101 H HIS 15 H HIS 15 4.628 -6.281 -0.176 102 HA HIS 15 HA HIS 15 1.951 -7.085 -0.766 103 HB2 HIS 15 2HB HIS 15 3.725 -8.756 -0.879 104 HB3 HIS 15 1HB HIS 15 4.049 -8.563 0.843 105 HD1 HIS 15 1HD HIS 15 3.451 -11.013 1.435 106 HD2 HIS 15 2HD HIS 15 0.346 -8.924 -0.391 107 HE1 HIS 15 1HE HIS 15 1.397 -12.440 1.725 108 HE2 HIS 15 2HE HIS 15 -0.431 -11.232 0.475 109 H TYR 16 H TYR 16 3.609 -6.151 2.221 110 HA TYR 16 HA TYR 16 1.430 -6.892 3.898 111 HB2 TYR 16 2HB TYR 16 3.956 -6.355 4.456 112 HB3 TYR 16 1HB TYR 16 3.331 -4.724 4.688 113 HD1 TYR 16 2HD TYR 16 1.199 -7.586 5.429 114 HD2 TYR 16 1HD TYR 16 3.963 -4.795 7.049 115 HE1 TYR 16 2HE TYR 16 0.478 -8.204 7.696 116 HE2 TYR 16 1HE TYR 16 3.261 -5.404 9.320 117 HH TYR 16 HH TYR 16 1.489 -6.408 10.494 118 H PHE 17 H PHE 17 2.140 -4.102 1.953 119 HA PHE 17 HA PHE 17 0.112 -2.433 3.138 120 HB2 PHE 17 2HB PHE 17 2.105 -1.550 1.871 121 HB3 PHE 17 1HB PHE 17 1.360 -2.173 0.410 122 HD1 PHE 17 2HD PHE 17 0.385 -0.162 3.349 123 HD2 PHE 17 1HD PHE 17 0.199 -0.638 -0.885 124 HE1 PHE 17 2HE PHE 17 -0.905 1.934 3.186 125 HE2 PHE 17 1HE PHE 17 -1.102 1.437 -1.050 126 HZ PHE 17 HZ PHE 17 -1.651 2.731 0.978 127 H TRP 18 H TRP 18 0.360 -4.787 0.590 128 HA TRP 18 HA TRP 18 -2.284 -4.348 -0.466 129 HB2 TRP 18 2HB TRP 18 -0.408 -5.513 -1.719 130 HB3 TRP 18 1HB TRP 18 -0.613 -6.870 -0.633 131 HD1 TRP 18 HD TRP 18 -0.928 -8.159 -3.028 132 HE1 TRP 18 1HE TRP 18 -3.054 -8.660 -4.371 133 HE3 TRP 18 3HE TRP 18 -4.133 -4.668 -0.981 134 HZ2 TRP 18 2HZ TRP 18 -5.690 -7.777 -4.546 135 HZ3 TRP 18 3HZ TRP 18 -6.440 -4.595 -1.843 136 HH2 TRP 18 HH TRP 18 -7.197 -6.106 -3.574 137 H LEU 19 H LEU 19 -0.752 -6.158 2.039 138 HA LEU 19 HA LEU 19 -3.009 -7.772 2.733 139 HB2 LEU 19 2HB LEU 19 -0.428 -8.042 3.261 140 HB3 LEU 19 1HB LEU 19 -0.816 -7.056 4.654 141 HG LEU 19 HG LEU 19 -2.397 -9.538 4.115 142 HD11 LEU 19 1HD1 LEU 19 0.325 -9.373 5.392 143 HD12 LEU 19 2HD1 LEU 19 -0.162 -10.360 4.014 144 HD13 LEU 19 3HD1 LEU 19 -0.790 -10.720 5.622 145 HD21 LEU 19 3HD2 LEU 19 -1.583 -8.073 6.616 146 HD22 LEU 19 1HD2 LEU 19 -2.626 -9.498 6.539 147 HD23 LEU 19 2HD2 LEU 19 -3.157 -7.976 5.818 148 H LEU 20 H LEU 20 -1.683 -4.702 3.531 149 HA LEU 20 HA LEU 20 -3.476 -3.966 5.627 150 HB2 LEU 20 2HB LEU 20 -1.130 -3.052 4.762 151 HB3 LEU 20 1HB LEU 20 -2.142 -1.972 3.826 152 HG LEU 20 HG LEU 20 -1.458 -0.848 5.801 153 HD11 LEU 20 1HD1 LEU 20 -4.337 -1.731 5.767 154 HD12 LEU 20 2HD1 LEU 20 -3.626 -0.184 5.295 155 HD13 LEU 20 3HD1 LEU 20 -3.734 -0.618 7.001 156 HD21 LEU 20 3HD2 LEU 20 -0.811 -2.686 7.159 157 HD22 LEU 20 1HD2 LEU 20 -2.469 -3.293 7.241 158 HD23 LEU 20 2HD2 LEU 20 -2.043 -1.782 8.040 159 H LEU 21 H LEU 21 -3.337 -3.267 2.118 160 HA LEU 21 HA LEU 21 -5.651 -1.620 2.130 161 HB2 LEU 21 2HB LEU 21 -3.516 -1.669 0.656 162 HB3 LEU 21 1HB LEU 21 -4.326 -2.891 -0.252 163 HG LEU 21 HG LEU 21 -4.832 -1.077 -1.538 164 HD11 LEU 21 1HD1 LEU 21 -6.982 -0.756 0.536 165 HD12 LEU 21 2HD1 LEU 21 -7.004 -1.888 -0.818 166 HD13 LEU 21 3HD1 LEU 21 -7.015 -0.148 -1.121 167 HD21 LEU 21 3HD2 LEU 21 -5.045 1.204 -0.648 168 HD22 LEU 21 1HD2 LEU 21 -3.503 0.427 -0.284 169 HD23 LEU 21 2HD2 LEU 21 -4.737 0.566 0.968 170 H GLN 22 H GLN 22 -4.966 -5.038 1.637 171 HA GLN 22 HA GLN 22 -7.575 -5.671 0.582 172 HB2 GLN 22 2HB GLN 22 -5.669 -7.137 0.088 173 HB3 GLN 22 1HB GLN 22 -5.470 -7.479 1.799 174 HG2 GLN 22 2HG GLN 22 -7.635 -8.598 1.847 175 HG3 GLN 22 1HG GLN 22 -7.879 -8.214 0.144 176 HE21 GLN 22 1HE2 GLN 22 -8.084 -10.395 -0.379 177 HE22 GLN 22 2HE2 GLN 22 -6.729 -11.471 -0.422 178 H ARG 23 H ARG 23 -5.989 -5.889 3.748 179 HA ARG 23 HA ARG 23 -7.987 -6.953 5.310 180 HB2 ARG 23 2HB ARG 23 -6.077 -6.434 6.552 181 HB3 ARG 23 1HB ARG 23 -5.895 -4.868 5.780 182 HG2 ARG 23 2HG ARG 23 -7.458 -3.862 7.151 183 HG3 ARG 23 1HG ARG 23 -8.195 -5.387 7.600 184 HD2 ARG 23 2HD ARG 23 -6.991 -4.602 9.462 185 HD3 ARG 23 1HD ARG 23 -6.120 -5.965 8.783 186 HE ARG 23 HE ARG 23 -4.677 -4.211 7.675 187 HH11 ARG 23 1HH1 ARG 23 -6.324 -3.749 10.729 188 HH12 ARG 23 2HH1 ARG 23 -5.235 -2.505 11.258 189 HH21 ARG 23 1HH2 ARG 23 -3.276 -2.631 8.398 190 HH22 ARG 23 2HH2 ARG 23 -3.521 -1.910 9.925 191 H THR 24 H THR 24 -7.546 -3.608 4.337 192 HA THR 24 HA THR 24 -9.891 -2.762 5.756 193 HB THR 24 HB THR 24 -8.263 -1.063 3.883 194 HG1 THR 24 1HG THR 24 -6.634 -1.782 5.146 195 HG21 THR 24 3HG2 THR 24 -10.278 -0.082 4.852 196 HG22 THR 24 1HG2 THR 24 -8.830 0.667 5.542 197 HG23 THR 24 2HG2 THR 24 -9.723 -0.537 6.473 198 H TYR 25 H TYR 25 -8.838 -2.550 2.346 199 HA TYR 25 HA TYR 25 -11.674 -2.314 1.627 200 HB2 TYR 25 2HB TYR 25 -9.325 -1.600 -0.139 201 HB3 TYR 25 1HB TYR 25 -11.018 -1.206 -0.389 202 HD1 TYR 25 2HD TYR 25 -11.304 -0.413 2.714 203 HD2 TYR 25 1HD TYR 25 -8.714 0.746 -0.456 204 HE1 TYR 25 2HE TYR 25 -10.972 1.769 3.784 205 HE2 TYR 25 1HE TYR 25 -8.374 2.930 0.623 206 HH TYR 25 HH TYR 25 -9.297 4.356 2.188 207 H THR 26 H THR 26 -12.172 -4.451 1.596 208 HA THR 26 HA THR 26 -10.558 -6.267 -0.041 209 HB THR 26 HB THR 26 -12.860 -7.349 1.452 210 HG1 THR 26 1HG THR 26 -10.624 -6.265 2.868 211 HG21 THR 26 3HG2 THR 26 -11.248 -9.019 2.105 212 HG22 THR 26 1HG2 THR 26 -9.917 -8.013 1.532 213 HG23 THR 26 2HG2 THR 26 -11.059 -8.706 0.379 214 H LYS 27 H LYS 27 -12.707 -8.160 -0.455 215 HA LYS 27 HA LYS 27 -14.027 -6.917 -2.722 216 HB2 LYS 27 2HB LYS 27 -14.863 -9.340 -2.999 217 HB3 LYS 27 1HB LYS 27 -13.143 -9.035 -3.224 218 HG2 LYS 27 2HG LYS 27 -12.597 -9.951 -1.130 219 HG3 LYS 27 1HG LYS 27 -14.272 -9.931 -0.590 220 HD2 LYS 27 2HD LYS 27 -13.735 -12.191 -1.122 221 HD3 LYS 27 1HD LYS 27 -14.751 -11.593 -2.436 222 HE2 LYS 27 2HE LYS 27 -12.769 -11.177 -3.790 223 HE3 LYS 27 1HE LYS 27 -11.742 -11.741 -2.475 224 HZ1 LYS 27 3HZ LYS 27 -13.760 -13.389 -3.893 225 HZ2 LYS 27 1HZ LYS 27 -12.723 -13.923 -2.666 226 HZ3 LYS 27 2HZ LYS 27 -12.086 -13.440 -4.165 227 H THR 28 H THR 28 -14.727 -7.974 0.493 228 HA THR 28 HA THR 28 -17.607 -7.573 0.064 229 HB THR 28 HB THR 28 -17.173 -9.830 0.779 230 HG1 THR 28 1HG THR 28 -18.908 -9.518 1.947 231 HG21 THR 28 3HG2 THR 28 -16.007 -10.338 2.891 232 HG22 THR 28 1HG2 THR 28 -15.638 -8.623 3.082 233 HG23 THR 28 2HG2 THR 28 -14.956 -9.526 1.730 234 H GLY 29 H GLY 29 -14.847 -6.768 2.080 235 HA2 GLY 29 2HA GLY 29 -16.182 -5.295 3.999 236 HA3 GLY 29 1HA GLY 29 -14.477 -5.194 3.647 237 H LYS 30 H LYS 30 -13.737 -3.362 2.795 238 HA LYS 30 HA LYS 30 -15.641 -1.374 1.831 239 HB2 LYS 30 2HB LYS 30 -13.228 -1.250 3.269 240 HB3 LYS 30 1HB LYS 30 -12.863 -0.588 1.684 241 HG2 LYS 30 2HG LYS 30 -13.481 1.219 3.072 242 HG3 LYS 30 1HG LYS 30 -14.831 0.934 1.970 243 HD2 LYS 30 2HD LYS 30 -16.035 -0.254 3.695 244 HD3 LYS 30 1HD LYS 30 -14.661 -0.114 4.793 245 HE2 LYS 30 2HE LYS 30 -16.305 2.151 3.683 246 HE3 LYS 30 1HE LYS 30 -16.370 1.517 5.324 247 HZ1 LYS 30 3HZ LYS 30 -14.011 2.170 5.574 248 HZ2 LYS 30 1HZ LYS 30 -15.043 3.488 5.308 249 HZ3 LYS 30 2HZ LYS 30 -14.076 2.903 4.051 250 HA PRO 31 HA PRO 31 -14.771 -2.321 -2.459 251 HB2 PRO 31 2HB PRO 31 -15.338 0.587 -2.790 252 HB3 PRO 31 1HB PRO 31 -16.052 -0.807 -3.622 253 HG2 PRO 31 2HG PRO 31 -17.421 0.519 -1.755 254 HG3 PRO 31 1HG PRO 31 -17.542 -1.245 -1.897 255 HD2 PRO 31 2HD PRO 31 -16.035 0.402 0.091 256 HD3 PRO 31 1HD PRO 31 -16.910 -1.127 0.320 257 H LYS 32 H LYS 32 -12.789 -2.376 -3.390 258 HA LYS 32 HA LYS 32 -10.616 -0.763 -2.773 259 HB2 LYS 32 2HB LYS 32 -10.385 -2.829 -4.037 260 HB3 LYS 32 1HB LYS 32 -11.286 -2.152 -5.383 261 HG2 LYS 32 2HG LYS 32 -9.392 -1.422 -6.274 262 HG3 LYS 32 1HG LYS 32 -9.064 -0.457 -4.839 263 HD2 LYS 32 2HD LYS 32 -8.405 -3.383 -5.032 264 HD3 LYS 32 1HD LYS 32 -7.269 -2.108 -5.470 265 HE2 LYS 32 2HE LYS 32 -6.682 -2.521 -3.283 266 HE3 LYS 32 1HE LYS 32 -7.810 -1.188 -3.098 267 HZ1 LYS 32 3HZ LYS 32 -9.523 -2.718 -2.475 268 HZ2 LYS 32 1HZ LYS 32 -8.173 -3.003 -1.501 269 HZ3 LYS 32 2HZ LYS 32 -8.528 -4.050 -2.780 270 HA PRO 33 HA PRO 33 -12.316 3.164 -3.694 271 HB2 PRO 33 2HB PRO 33 -9.369 3.694 -3.962 272 HB3 PRO 33 1HB PRO 33 -10.561 4.633 -3.100 273 HG2 PRO 33 2HG PRO 33 -9.162 3.116 -1.670 274 HG3 PRO 33 1HG PRO 33 -10.914 2.895 -1.508 275 HD2 PRO 33 2HD PRO 33 -8.971 1.351 -3.181 276 HD3 PRO 33 1HD PRO 33 -10.093 0.752 -1.970 277 H SER 34 H SER 34 -12.802 4.496 -5.388 278 HA SER 34 HA SER 34 -11.987 3.607 -8.025 279 HB2 SER 34 2HB SER 34 -13.733 5.959 -7.245 280 HB3 SER 34 1HB SER 34 -13.593 5.246 -8.853 281 HG SER 34 HG SER 34 -14.215 3.241 -7.380 282 H THR 35 H THR 35 -11.004 5.820 -5.692 283 HA THR 35 HA THR 35 -8.884 6.752 -7.442 284 HB THR 35 HB THR 35 -10.471 8.768 -5.844 285 HG1 THR 35 1HG THR 35 -10.809 7.785 -8.456 286 HG21 THR 35 3HG2 THR 35 -9.222 10.377 -7.200 287 HG22 THR 35 1HG2 THR 35 -8.412 9.051 -8.030 288 HG23 THR 35 2HG2 THR 35 -8.125 9.316 -6.312 289 H TRP 36 H TRP 36 -7.010 7.228 -6.316 290 HA TRP 36 HA TRP 36 -6.805 5.902 -3.822 291 HB2 TRP 36 2HB TRP 36 -4.965 5.586 -5.158 292 HB3 TRP 36 1HB TRP 36 -4.879 7.257 -5.630 293 HD1 TRP 36 HD TRP 36 -3.023 8.626 -4.491 294 HE1 TRP 36 1HE TRP 36 -1.485 8.295 -2.457 295 HE3 TRP 36 3HE TRP 36 -5.102 4.332 -2.615 296 HZ2 TRP 36 2HZ TRP 36 -1.210 6.457 -0.324 297 HZ3 TRP 36 3HZ TRP 36 -4.129 3.360 -0.574 298 HH2 TRP 36 HH TRP 36 -2.224 4.399 0.539 299 H ASP 37 H ASP 37 -7.693 9.049 -4.597 300 HA ASP 37 HA ASP 37 -6.630 10.532 -2.449 301 HB2 ASP 37 2HB ASP 37 -7.702 11.587 -4.394 302 HB3 ASP 37 1HB ASP 37 -9.248 10.894 -3.926 303 H LEU 38 H LEU 38 -9.841 8.986 -2.778 304 HA LEU 38 HA LEU 38 -10.598 9.460 -0.083 305 HB2 LEU 38 2HB LEU 38 -12.379 7.748 -0.543 306 HB3 LEU 38 1HB LEU 38 -12.339 9.087 -1.671 307 HG LEU 38 HG LEU 38 -10.724 6.953 -2.705 308 HD11 LEU 38 1HD1 LEU 38 -12.543 5.310 -3.092 309 HD12 LEU 38 2HD1 LEU 38 -13.532 6.185 -1.918 310 HD13 LEU 38 3HD1 LEU 38 -12.036 5.411 -1.403 311 HD21 LEU 38 3HD2 LEU 38 -13.337 8.151 -3.602 312 HD22 LEU 38 1HD2 LEU 38 -12.281 7.137 -4.586 313 HD23 LEU 38 2HD2 LEU 38 -11.723 8.720 -4.032 314 H ALA 39 H ALA 39 -8.763 7.024 -1.676 315 HA ALA 39 HA ALA 39 -9.039 4.949 0.238 316 HB1 ALA 39 1HB ALA 39 -6.863 5.419 -1.784 317 HB2 ALA 39 2HB ALA 39 -8.375 4.554 -2.089 318 HB3 ALA 39 3HB ALA 39 -7.196 3.904 -0.942 319 H SER 40 H SER 40 -6.453 7.256 -0.487 320 HA SER 40 HA SER 40 -4.793 6.414 1.636 321 HB2 SER 40 2HB SER 40 -3.538 8.495 1.144 322 HB3 SER 40 1HB SER 40 -3.836 7.515 -0.285 323 HG SER 40 HG SER 40 -5.239 8.974 -1.021 324 H LYS 41 H LYS 41 -7.248 8.837 1.293 325 HA LYS 41 HA LYS 41 -6.783 10.382 3.556 326 HB2 LYS 41 2HB LYS 41 -8.395 10.739 1.613 327 HB3 LYS 41 1HB LYS 41 -9.502 9.684 2.467 328 HG2 LYS 41 2HG LYS 41 -9.651 11.215 4.301 329 HG3 LYS 41 1HG LYS 41 -8.384 12.232 3.604 330 HD2 LYS 41 2HD LYS 41 -11.175 11.762 2.593 331 HD3 LYS 41 1HD LYS 41 -10.398 13.292 3.010 332 HE2 LYS 41 2HE LYS 41 -8.839 12.978 1.132 333 HE3 LYS 41 1HE LYS 41 -9.674 11.493 0.703 334 HZ1 LYS 41 3HZ LYS 41 -10.755 14.251 0.596 335 HZ2 LYS 41 1HZ LYS 41 -11.711 12.858 0.410 336 HZ3 LYS 41 2HZ LYS 41 -10.471 13.192 -0.696 337 H GLU 42 H GLU 42 -8.790 7.469 3.160 338 HA GLU 42 HA GLU 42 -9.415 7.394 5.984 339 HB2 GLU 42 2HB GLU 42 -10.919 6.642 4.061 340 HB3 GLU 42 1HB GLU 42 -9.899 5.218 3.957 341 HG2 GLU 42 2HG GLU 42 -11.028 4.239 5.574 342 HG3 GLU 42 1HG GLU 42 -10.728 5.592 6.667 343 H LEU 43 H LEU 43 -7.069 6.052 3.835 344 HA LEU 43 HA LEU 43 -6.301 3.778 5.355 345 HB2 LEU 43 2HB LEU 43 -5.781 4.789 2.831 346 HB3 LEU 43 1HB LEU 43 -4.236 4.930 3.643 347 HG LEU 43 HG LEU 43 -4.288 2.863 2.444 348 HD11 LEU 43 1HD1 LEU 43 -4.684 2.388 5.386 349 HD12 LEU 43 2HD1 LEU 43 -3.166 2.789 4.582 350 HD13 LEU 43 3HD1 LEU 43 -3.956 1.244 4.256 351 HD21 LEU 43 3HD2 LEU 43 -5.984 1.158 2.855 352 HD22 LEU 43 1HD2 LEU 43 -6.697 2.653 2.246 353 HD23 LEU 43 2HD2 LEU 43 -6.816 2.255 3.959 354 H GLY 44 H GLY 44 -5.717 7.090 5.864 355 HA2 GLY 44 2HA GLY 44 -2.969 7.066 6.441 356 HA3 GLY 44 1HA GLY 44 -4.083 8.302 6.957 357 H GLU 45 H GLU 45 -5.558 5.944 8.415 358 HA GLU 45 HA GLU 45 -4.077 6.279 10.825 359 HB2 GLU 45 2HB GLU 45 -5.913 5.116 11.937 360 HB3 GLU 45 1HB GLU 45 -6.483 6.449 10.947 361 HG2 GLU 45 2HG GLU 45 -7.320 4.987 9.293 362 HG3 GLU 45 1HG GLU 45 -6.483 3.602 9.995 363 H SER 46 H SER 46 -3.989 4.079 8.321 364 HA SER 46 HA SER 46 -3.005 1.928 10.061 365 HB2 SER 46 2HB SER 46 -3.617 1.822 7.099 366 HB3 SER 46 1HB SER 46 -3.295 0.455 8.168 367 HG SER 46 HG SER 46 -5.581 2.060 7.952 368 H LEU 47 H LEU 47 -0.878 1.805 10.326 369 HA LEU 47 HA LEU 47 0.676 3.895 9.212 370 HB2 LEU 47 2HB LEU 47 1.881 1.603 10.700 371 HB3 LEU 47 1HB LEU 47 2.401 3.273 10.652 372 HG LEU 47 HG LEU 47 1.539 3.053 12.775 373 HD11 LEU 47 1HD1 LEU 47 0.551 4.979 11.665 374 HD12 LEU 47 2HD1 LEU 47 -0.559 4.288 12.850 375 HD13 LEU 47 3HD1 LEU 47 -0.804 3.979 11.129 376 HD21 LEU 47 3HD2 LEU 47 0.689 0.830 12.538 377 HD22 LEU 47 1HD2 LEU 47 -0.656 1.409 11.557 378 HD23 LEU 47 2HD2 LEU 47 -0.559 1.846 13.267 379 H GLU 48 H GLU 48 0.036 0.886 7.819 380 HA GLU 48 HA GLU 48 2.728 0.474 6.866 381 HB2 GLU 48 2HB GLU 48 0.526 -1.143 7.006 382 HB3 GLU 48 1HB GLU 48 0.511 -0.697 5.318 383 HG2 GLU 48 2HG GLU 48 1.691 -2.807 5.800 384 HG3 GLU 48 1HG GLU 48 2.663 -1.593 4.984 385 H TYR 49 H TYR 49 0.029 2.404 6.096 386 HA TYR 49 HA TYR 49 0.997 3.022 3.429 387 HB2 TYR 49 2HB TYR 49 -1.221 3.375 3.248 388 HB3 TYR 49 1HB TYR 49 -1.434 3.500 4.975 389 HD1 TYR 49 1HD TYR 49 -0.770 5.318 1.875 390 HD2 TYR 49 2HD TYR 49 -1.551 5.681 6.034 391 HE1 TYR 49 1HE TYR 49 -1.234 7.710 1.570 392 HE2 TYR 49 2HE TYR 49 -2.021 8.077 5.756 393 HH TYR 49 HH TYR 49 -2.523 9.519 2.770 394 H LYS 50 H LYS 50 1.501 3.951 6.642 395 HA LYS 50 HA LYS 50 2.828 6.416 5.904 396 HB2 LYS 50 2HB LYS 50 1.606 5.647 8.175 397 HB3 LYS 50 1HB LYS 50 3.276 5.243 8.565 398 HG2 LYS 50 2HG LYS 50 2.832 7.489 9.283 399 HG3 LYS 50 1HG LYS 50 3.941 7.538 7.908 400 HD2 LYS 50 2HD LYS 50 2.211 9.227 7.645 401 HD3 LYS 50 1HD LYS 50 2.038 7.975 6.415 402 HE2 LYS 50 2HE LYS 50 -0.126 8.186 7.101 403 HE3 LYS 50 1HE LYS 50 0.414 6.908 8.177 404 HZ1 LYS 50 3HZ LYS 50 -0.822 8.663 9.355 405 HZ2 LYS 50 1HZ LYS 50 0.360 9.789 8.902 406 HZ3 LYS 50 2HZ LYS 50 0.762 8.500 9.929 407 H ALA 51 H ALA 51 3.412 3.156 5.880 408 HA ALA 51 HA ALA 51 6.278 3.272 6.390 409 HB1 ALA 51 1HB ALA 51 4.499 1.086 5.297 410 HB2 ALA 51 2HB ALA 51 5.079 1.227 6.956 411 HB3 ALA 51 3HB ALA 51 6.216 0.899 5.647 412 H LEU 52 H LEU 52 4.576 4.663 4.261 413 HA LEU 52 HA LEU 52 6.071 3.985 1.871 414 HB2 LEU 52 2HB LEU 52 3.724 2.732 2.498 415 HB3 LEU 52 1HB LEU 52 3.148 4.081 1.536 416 HG LEU 52 HG LEU 52 4.556 3.381 -0.298 417 HD11 LEU 52 1HD1 LEU 52 5.375 1.200 1.583 418 HD12 LEU 52 2HD1 LEU 52 6.411 2.436 0.868 419 HD13 LEU 52 3HD1 LEU 52 5.702 1.178 -0.148 420 HD21 LEU 52 3HD2 LEU 52 2.319 2.479 -0.200 421 HD22 LEU 52 1HD2 LEU 52 2.887 1.155 0.825 422 HD23 LEU 52 2HD2 LEU 52 3.436 1.273 -0.854 423 H GLY 53 H GLY 53 5.458 6.280 3.856 424 HA2 GLY 53 2HA GLY 53 3.912 8.244 2.658 425 HA3 GLY 53 1HA GLY 53 5.246 8.567 3.735 426 H ASP 54 H ASP 54 7.403 7.855 2.326 427 HA ASP 54 HA ASP 54 7.508 10.002 0.425 428 HB2 ASP 54 2HB ASP 54 9.439 8.116 1.654 429 HB3 ASP 54 1HB ASP 54 9.840 8.796 0.099 430 H GLU 55 H GLU 55 7.218 6.613 0.457 431 HA GLU 55 HA GLU 55 7.774 6.062 -2.306 432 HB2 GLU 55 2HB GLU 55 6.360 4.489 -0.140 433 HB3 GLU 55 1HB GLU 55 6.793 3.842 -1.709 434 HG2 GLU 55 2HG GLU 55 8.326 3.124 0.032 435 HG3 GLU 55 1HG GLU 55 9.150 4.087 -1.193 436 H ASP 56 H ASP 56 5.956 8.156 -2.244 437 HA ASP 56 HA ASP 56 3.265 7.433 -1.847 438 HB2 ASP 56 2HB ASP 56 4.102 9.779 -1.804 439 HB3 ASP 56 1HB ASP 56 4.327 9.709 -3.547 440 H ASN 57 H ASN 57 5.094 7.876 -4.899 441 HA ASN 57 HA ASN 57 2.814 7.380 -6.536 442 HB2 ASN 57 2HB ASN 57 4.365 7.371 -8.394 443 HB3 ASN 57 1HB ASN 57 4.834 8.650 -7.280 444 HD21 ASN 57 1HD2 ASN 57 6.630 8.288 -5.892 445 HD22 ASN 57 2HD2 ASN 57 7.864 7.161 -6.338 446 H ILE 58 H ILE 58 5.347 5.356 -5.194 447 HA ILE 58 HA ILE 58 4.684 2.984 -6.553 448 HB ILE 58 HB ILE 58 5.954 3.565 -3.890 449 HG12 ILE 58 2HG1 ILE 58 7.857 2.298 -5.000 450 HG13 ILE 58 1HG1 ILE 58 6.914 2.383 -6.478 451 HG21 ILE 58 1HG2 ILE 58 5.392 0.807 -4.976 452 HG22 ILE 58 2HG2 ILE 58 4.651 1.539 -3.552 453 HG23 ILE 58 3HG2 ILE 58 6.377 1.183 -3.560 454 HD11 ILE 58 3HD1 ILE 58 7.908 4.732 -4.893 455 HD12 ILE 58 1HD1 ILE 58 6.979 4.811 -6.390 456 HD13 ILE 58 2HD1 ILE 58 8.601 4.119 -6.395 457 H ARG 59 H ARG 59 3.768 4.338 -3.469 458 HA ARG 59 HA ARG 59 2.105 2.396 -2.489 459 HB2 ARG 59 2HB ARG 59 2.938 4.301 -1.223 460 HB3 ARG 59 1HB ARG 59 1.933 5.394 -2.173 461 HG2 ARG 59 2HG ARG 59 -0.061 4.364 -1.255 462 HG3 ARG 59 1HG ARG 59 0.927 3.215 -0.364 463 HD2 ARG 59 2HD ARG 59 -0.009 5.630 0.539 464 HD3 ARG 59 1HD ARG 59 1.257 4.655 1.250 465 HE ARG 59 HE ARG 59 2.890 6.057 0.141 466 HH11 ARG 59 1HH1 ARG 59 -0.407 7.208 -0.120 467 HH12 ARG 59 2HH1 ARG 59 0.069 8.867 -0.280 468 HH21 ARG 59 1HH2 ARG 59 3.489 8.245 0.045 469 HH22 ARG 59 2HH2 ARG 59 2.260 9.443 -0.239 470 H ARG 60 H ARG 60 1.154 5.235 -4.432 471 HA ARG 60 HA ARG 60 -1.615 4.628 -4.404 472 HB2 ARG 60 2HB ARG 60 -1.543 6.208 -6.496 473 HB3 ARG 60 1HB ARG 60 -1.249 6.849 -4.887 474 HG2 ARG 60 2HG ARG 60 1.056 7.002 -5.246 475 HG3 ARG 60 1HG ARG 60 1.001 5.987 -6.663 476 HD2 ARG 60 2HD ARG 60 1.284 8.151 -7.466 477 HD3 ARG 60 1HD ARG 60 -0.417 7.779 -7.723 478 HE ARG 60 HE ARG 60 -0.298 8.958 -5.262 479 HH11 ARG 60 1HH1 ARG 60 0.524 9.859 -8.529 480 HH12 ARG 60 2HH1 ARG 60 0.425 11.561 -8.201 481 HH21 ARG 60 1HH2 ARG 60 -0.417 11.113 -4.821 482 HH22 ARG 60 2HH2 ARG 60 -0.078 12.251 -6.069 483 H GLN 61 H GLN 61 1.000 3.845 -6.636 484 HA GLN 61 HA GLN 61 -0.766 2.936 -8.679 485 HB2 GLN 61 2HB GLN 61 2.191 2.842 -8.228 486 HB3 GLN 61 1HB GLN 61 1.489 1.797 -9.464 487 HG2 GLN 61 2HG GLN 61 1.305 4.793 -9.280 488 HG3 GLN 61 1HG GLN 61 2.118 3.832 -10.521 489 HE21 GLN 61 1HE2 GLN 61 -0.977 4.713 -9.170 490 HE22 GLN 61 2HE2 GLN 61 -1.927 4.258 -10.524 491 H ILE 62 H ILE 62 1.198 1.156 -6.194 492 HA ILE 62 HA ILE 62 0.365 -1.411 -6.985 493 HB ILE 62 HB ILE 62 0.349 -1.289 -4.095 494 HG12 ILE 62 2HG1 ILE 62 3.016 -0.578 -5.234 495 HG13 ILE 62 1HG1 ILE 62 1.889 0.703 -4.820 496 HG21 ILE 62 1HG2 ILE 62 2.106 -2.962 -4.398 497 HG22 ILE 62 2HG2 ILE 62 2.174 -2.567 -6.114 498 HG23 ILE 62 3HG2 ILE 62 0.710 -3.280 -5.430 499 HD11 ILE 62 3HD1 ILE 62 1.766 -0.182 -2.524 500 HD12 ILE 62 1HD1 ILE 62 3.395 0.319 -2.986 501 HD13 ILE 62 2HD1 ILE 62 2.973 -1.394 -2.960 502 H PHE 63 H PHE 63 -1.097 0.888 -4.760 503 HA PHE 63 HA PHE 63 -3.233 -0.515 -3.826 504 HB2 PHE 63 2HB PHE 63 -3.081 1.541 -2.871 505 HB3 PHE 63 1HB PHE 63 -2.757 2.339 -4.399 506 HD1 PHE 63 1HD PHE 63 -5.439 0.455 -2.700 507 HD2 PHE 63 2HD PHE 63 -4.447 3.680 -5.296 508 HE1 PHE 63 1HE PHE 63 -7.812 1.073 -2.827 509 HE2 PHE 63 2HE PHE 63 -6.816 4.305 -5.421 510 HZ PHE 63 HZ PHE 63 -8.497 2.991 -4.187 511 H GLU 64 H GLU 64 -3.175 1.370 -6.829 512 HA GLU 64 HA GLU 64 -5.846 0.722 -7.523 513 HB2 GLU 64 2HB GLU 64 -4.486 2.702 -8.347 514 HB3 GLU 64 1HB GLU 64 -3.658 1.582 -9.419 515 HG2 GLU 64 2HG GLU 64 -6.580 1.485 -9.563 516 HG3 GLU 64 1HG GLU 64 -5.865 3.012 -10.066 517 H ASP 65 H ASP 65 -2.707 -0.658 -8.319 518 HA ASP 65 HA ASP 65 -3.817 -2.389 -10.338 519 HB2 ASP 65 2HB ASP 65 -1.489 -1.345 -10.383 520 HB3 ASP 65 1HB ASP 65 -1.032 -2.577 -9.208 521 H PHE 66 H PHE 66 -3.793 -2.539 -7.028 522 HA PHE 66 HA PHE 66 -2.893 -5.059 -6.345 523 HB2 PHE 66 2HB PHE 66 -4.962 -3.218 -5.243 524 HB3 PHE 66 1HB PHE 66 -4.814 -4.825 -4.573 525 HD1 PHE 66 1HD PHE 66 -1.640 -4.695 -5.072 526 HD2 PHE 66 2HD PHE 66 -4.527 -2.305 -3.062 527 HE1 PHE 66 1HE PHE 66 0.089 -3.919 -3.499 528 HE2 PHE 66 2HE PHE 66 -2.819 -1.524 -1.488 529 HZ PHE 66 HZ PHE 66 -0.493 -2.330 -1.713 530 H LYS 67 H LYS 67 -6.176 -4.093 -7.026 531 HA LYS 67 HA LYS 67 -7.984 -5.115 -7.842 532 HB2 LYS 67 2HB LYS 67 -6.048 -7.141 -8.970 533 HB3 LYS 67 1HB LYS 67 -7.702 -6.887 -9.499 534 HG2 LYS 67 2HG LYS 67 -5.279 -5.218 -9.980 535 HG3 LYS 67 1HG LYS 67 -6.507 -5.776 -11.118 536 HD2 LYS 67 2HD LYS 67 -8.086 -4.257 -9.719 537 HD3 LYS 67 1HD LYS 67 -6.596 -3.491 -9.199 538 HE2 LYS 67 2HE LYS 67 -7.365 -3.867 -12.086 539 HE3 LYS 67 1HE LYS 67 -7.677 -2.395 -11.165 540 HZ1 LYS 67 3HZ LYS 67 -5.649 -2.185 -12.429 541 HZ2 LYS 67 1HZ LYS 67 -5.011 -3.584 -11.718 542 HZ3 LYS 67 2HZ LYS 67 -5.292 -2.200 -10.776 543 HA PRO 68 HA PRO 68 -8.729 -8.200 -4.605 544 HB2 PRO 68 2HB PRO 68 -11.348 -7.724 -4.365 545 HB3 PRO 68 1HB PRO 68 -10.171 -6.558 -3.748 546 HG2 PRO 68 2HG PRO 68 -11.518 -6.560 -6.448 547 HG3 PRO 68 1HG PRO 68 -11.531 -5.270 -5.239 548 HD2 PRO 68 2HD PRO 68 -9.809 -5.171 -7.176 549 HD3 PRO 68 1HD PRO 68 -9.275 -4.782 -5.534 550 H GLU 69 H GLU 69 -11.427 -9.293 -4.861 551 HA GLU 69 HA GLU 69 -12.528 -11.010 -5.793 552 HB2 GLU 69 2HB GLU 69 -11.058 -10.274 -8.336 553 HB3 GLU 69 1HB GLU 69 -12.328 -11.485 -8.232 554 HG2 GLU 69 2HG GLU 69 -13.890 -9.734 -7.477 555 HG3 GLU 69 1HG GLU 69 -12.608 -8.540 -7.691 Start of MODEL 5 1 H ASN 5 H ASN 5 18.389 -4.077 -0.740 2 HA ASN 5 HA ASN 5 17.836 -6.219 1.107 3 HB2 ASN 5 2HB ASN 5 20.163 -5.339 1.687 4 HB3 ASN 5 1HB ASN 5 19.341 -3.886 2.244 5 HD21 ASN 5 1HD2 ASN 5 18.090 -7.126 2.397 6 HD22 ASN 5 2HD2 ASN 5 18.097 -7.265 4.112 7 H GLU 6 H GLU 6 17.849 -2.895 0.337 8 HA GLU 6 HA GLU 6 15.666 -2.153 2.043 9 HB2 GLU 6 2HB GLU 6 16.087 -0.141 0.172 10 HB3 GLU 6 1HB GLU 6 16.868 -0.267 1.748 11 HG2 GLU 6 2HG GLU 6 18.644 -0.027 0.220 12 HG3 GLU 6 1HG GLU 6 18.596 -1.728 0.623 13 H ARG 7 H ARG 7 16.179 -2.919 -1.363 14 HA ARG 7 HA ARG 7 13.482 -2.418 -2.135 15 HB2 ARG 7 2HB ARG 7 15.615 -4.148 -3.394 16 HB3 ARG 7 1HB ARG 7 14.039 -3.851 -4.112 17 HG2 ARG 7 2HG ARG 7 16.260 -1.900 -3.635 18 HG3 ARG 7 1HG ARG 7 15.488 -2.340 -5.160 19 HD2 ARG 7 2HD ARG 7 13.345 -1.387 -4.142 20 HD3 ARG 7 1HD ARG 7 14.387 -0.679 -2.912 21 HE ARG 7 HE ARG 7 14.923 -0.104 -5.740 22 HH11 ARG 7 1HH1 ARG 7 13.954 0.979 -2.556 23 HH12 ARG 7 2HH1 ARG 7 13.977 2.660 -2.974 24 HH21 ARG 7 1HH2 ARG 7 14.957 2.124 -6.294 25 HH22 ARG 7 2HH2 ARG 7 14.534 3.311 -5.100 26 H ARG 8 H ARG 8 15.278 -5.269 -1.074 27 HA ARG 8 HA ARG 8 13.305 -7.198 -1.049 28 HB2 ARG 8 2HB ARG 8 15.730 -6.608 0.522 29 HB3 ARG 8 1HB ARG 8 14.580 -7.668 1.312 30 HG2 ARG 8 2HG ARG 8 15.420 -8.231 -1.489 31 HG3 ARG 8 1HG ARG 8 16.482 -8.655 -0.144 32 HD2 ARG 8 2HD ARG 8 15.195 -10.572 -0.568 33 HD3 ARG 8 1HD ARG 8 14.504 -9.850 0.874 34 HE ARG 8 HE ARG 8 13.219 -9.115 -1.619 35 HH11 ARG 8 1HH1 ARG 8 13.263 -11.280 1.133 36 HH12 ARG 8 2HH1 ARG 8 11.632 -11.818 0.900 37 HH21 ARG 8 1HH2 ARG 8 11.055 -9.845 -1.942 38 HH22 ARG 8 2HH2 ARG 8 10.375 -10.992 -0.813 39 H ILE 9 H ILE 9 14.089 -4.891 1.514 40 HA ILE 9 HA ILE 9 11.935 -5.372 3.208 41 HB ILE 9 HB ILE 9 13.589 -2.912 2.675 42 HG12 ILE 9 2HG1 ILE 9 13.478 -4.738 5.079 43 HG13 ILE 9 1HG1 ILE 9 14.624 -4.909 3.751 44 HG21 ILE 9 1HG2 ILE 9 12.629 -1.946 4.746 45 HG22 ILE 9 2HG2 ILE 9 11.452 -3.261 4.786 46 HG23 ILE 9 3HG2 ILE 9 11.439 -2.105 3.454 47 HD11 ILE 9 3HD1 ILE 9 15.442 -2.630 4.227 48 HD12 ILE 9 1HD1 ILE 9 15.689 -3.761 5.561 49 HD13 ILE 9 2HD1 ILE 9 14.380 -2.581 5.634 50 H LEU 10 H LEU 10 12.199 -3.093 0.485 51 HA LEU 10 HA LEU 10 9.719 -1.822 0.927 52 HB2 LEU 10 2HB LEU 10 11.793 -1.095 -0.462 53 HB3 LEU 10 1HB LEU 10 11.004 -1.958 -1.768 54 HG LEU 10 HG LEU 10 9.252 -0.071 -0.366 55 HD11 LEU 10 1HD1 LEU 10 10.216 1.918 -1.322 56 HD12 LEU 10 2HD1 LEU 10 11.530 0.976 -2.022 57 HD13 LEU 10 3HD1 LEU 10 11.391 1.130 -0.268 58 HD21 LEU 10 3HD2 LEU 10 9.950 -0.509 -3.263 59 HD22 LEU 10 1HD2 LEU 10 8.628 0.489 -2.661 60 HD23 LEU 10 2HD2 LEU 10 8.608 -1.257 -2.400 61 H GLU 11 H GLU 11 10.659 -4.510 -1.217 62 HA GLU 11 HA GLU 11 8.105 -4.701 -2.468 63 HB2 GLU 11 2HB GLU 11 8.896 -6.854 -3.336 64 HB3 GLU 11 1HB GLU 11 10.114 -5.605 -3.537 65 HG2 GLU 11 2HG GLU 11 11.246 -6.453 -1.511 66 HG3 GLU 11 1HG GLU 11 10.069 -7.762 -1.444 67 H GLN 12 H GLN 12 9.551 -6.126 0.395 68 HA GLN 12 HA GLN 12 7.451 -7.940 0.947 69 HB2 GLN 12 2HB GLN 12 9.700 -8.007 2.031 70 HB3 GLN 12 1HB GLN 12 9.255 -6.567 2.941 71 HG2 GLN 12 2HG GLN 12 7.486 -7.736 4.049 72 HG3 GLN 12 1HG GLN 12 7.733 -9.154 3.032 73 HE21 GLN 12 1HE2 GLN 12 9.482 -10.491 3.410 74 HE22 GLN 12 2HE2 GLN 12 10.379 -10.437 4.884 75 H LYS 13 H LYS 13 8.065 -4.577 1.872 76 HA LYS 13 HA LYS 13 5.677 -4.267 3.359 77 HB2 LYS 13 2HB LYS 13 7.626 -2.364 2.141 78 HB3 LYS 13 1HB LYS 13 6.057 -1.751 2.643 79 HG2 LYS 13 2HG LYS 13 6.519 -2.818 4.896 80 HG3 LYS 13 1HG LYS 13 8.183 -3.020 4.340 81 HD2 LYS 13 2HD LYS 13 8.442 -0.653 4.054 82 HD3 LYS 13 1HD LYS 13 6.726 -0.380 4.351 83 HE2 LYS 13 2HE LYS 13 8.753 -1.386 6.350 84 HE3 LYS 13 1HE LYS 13 8.034 0.225 6.302 85 HZ1 LYS 13 3HZ LYS 13 5.822 -1.005 6.509 86 HZ2 LYS 13 1HZ LYS 13 6.805 -0.912 7.894 87 HZ3 LYS 13 2HZ LYS 13 6.750 -2.338 6.991 88 H LYS 14 H LYS 14 6.441 -3.901 -0.055 89 HA LYS 14 HA LYS 14 4.114 -2.763 -1.010 90 HB2 LYS 14 2HB LYS 14 6.227 -3.595 -2.273 91 HB3 LYS 14 1HB LYS 14 5.370 -5.128 -2.387 92 HG2 LYS 14 2HG LYS 14 3.514 -3.995 -3.516 93 HG3 LYS 14 1HG LYS 14 4.415 -2.480 -3.448 94 HD2 LYS 14 2HD LYS 14 6.018 -4.587 -4.602 95 HD3 LYS 14 1HD LYS 14 4.492 -4.404 -5.462 96 HE2 LYS 14 2HE LYS 14 4.942 -1.982 -5.674 97 HE3 LYS 14 1HE LYS 14 6.514 -2.231 -4.914 98 HZ1 LYS 14 3HZ LYS 14 6.799 -2.185 -7.273 99 HZ2 LYS 14 1HZ LYS 14 5.582 -3.346 -7.511 100 HZ3 LYS 14 2HZ LYS 14 7.040 -3.784 -6.763 101 H HIS 15 H HIS 15 4.740 -6.214 -0.381 102 HA HIS 15 HA HIS 15 2.100 -7.059 -0.965 103 HB2 HIS 15 2HB HIS 15 3.832 -8.711 -0.991 104 HB3 HIS 15 1HB HIS 15 4.299 -8.341 0.665 105 HD1 HIS 15 1HD HIS 15 3.849 -10.531 1.786 106 HD2 HIS 15 2HD HIS 15 0.589 -9.191 -0.422 107 HE1 HIS 15 1HE HIS 15 1.953 -12.095 2.341 108 HE2 HIS 15 2HE HIS 15 -0.042 -11.160 1.121 109 H TYR 16 H TYR 16 3.625 -5.833 1.947 110 HA TYR 16 HA TYR 16 1.420 -6.659 3.602 111 HB2 TYR 16 2HB TYR 16 4.006 -5.274 4.106 112 HB3 TYR 16 1HB TYR 16 2.723 -5.170 5.316 113 HD1 TYR 16 1HD TYR 16 1.442 -7.703 5.271 114 HD2 TYR 16 2HD TYR 16 5.582 -6.844 4.828 115 HE1 TYR 16 1HE TYR 16 1.971 -9.943 6.086 116 HE2 TYR 16 2HE TYR 16 6.136 -9.102 5.640 117 HH TYR 16 HH TYR 16 5.222 -10.908 6.839 118 H PHE 17 H PHE 17 2.210 -3.839 1.796 119 HA PHE 17 HA PHE 17 0.204 -2.188 3.045 120 HB2 PHE 17 2HB PHE 17 2.141 -1.225 1.804 121 HB3 PHE 17 1HB PHE 17 1.478 -1.906 0.333 122 HD1 PHE 17 1HD PHE 17 0.316 0.150 3.178 123 HD2 PHE 17 2HD PHE 17 0.306 -0.488 -1.035 124 HE1 PHE 17 1HE PHE 17 -1.060 2.177 2.883 125 HE2 PHE 17 2HE PHE 17 -1.082 1.519 -1.341 126 HZ PHE 17 HZ PHE 17 -1.769 2.860 0.617 127 H TRP 18 H TRP 18 0.416 -4.530 0.487 128 HA TRP 18 HA TRP 18 -2.273 -4.174 -0.473 129 HB2 TRP 18 2HB TRP 18 -0.415 -5.340 -1.731 130 HB3 TRP 18 1HB TRP 18 -0.549 -6.658 -0.584 131 HD1 TRP 18 HD TRP 18 -0.895 -8.072 -2.869 132 HE1 TRP 18 1HE TRP 18 -3.024 -8.674 -4.155 133 HE3 TRP 18 3HE TRP 18 -4.138 -4.539 -0.948 134 HZ2 TRP 18 2HZ TRP 18 -5.671 -7.840 -4.347 135 HZ3 TRP 18 3HZ TRP 18 -6.463 -4.540 -1.804 136 HH2 TRP 18 HH TRP 18 -7.197 -6.152 -3.443 137 H LEU 19 H LEU 19 -0.612 -5.951 1.994 138 HA LEU 19 HA LEU 19 -2.772 -7.611 2.826 139 HB2 LEU 19 2HB LEU 19 -0.204 -7.746 3.292 140 HB3 LEU 19 1HB LEU 19 -0.540 -6.623 4.594 141 HG LEU 19 HG LEU 19 -2.368 -8.757 4.879 142 HD11 LEU 19 1HD1 LEU 19 -0.938 -10.073 3.421 143 HD12 LEU 19 2HD1 LEU 19 -0.831 -10.654 5.083 144 HD13 LEU 19 3HD1 LEU 19 0.465 -9.660 4.409 145 HD21 LEU 19 3HD2 LEU 19 0.187 -8.402 6.412 146 HD22 LEU 19 1HD2 LEU 19 -1.373 -8.980 6.996 147 HD23 LEU 19 2HD2 LEU 19 -1.163 -7.275 6.589 148 H LEU 20 H LEU 20 -1.552 -4.465 3.489 149 HA LEU 20 HA LEU 20 -3.309 -3.756 5.615 150 HB2 LEU 20 2HB LEU 20 -1.011 -2.768 4.718 151 HB3 LEU 20 1HB LEU 20 -2.079 -1.734 3.791 152 HG LEU 20 HG LEU 20 -1.342 -0.625 5.804 153 HD11 LEU 20 1HD1 LEU 20 -3.451 0.107 5.182 154 HD12 LEU 20 2HD1 LEU 20 -3.661 -0.323 6.883 155 HD13 LEU 20 3HD1 LEU 20 -4.229 -1.419 5.616 156 HD21 LEU 20 3HD2 LEU 20 -2.576 -3.004 7.241 157 HD22 LEU 20 1HD2 LEU 20 -1.989 -1.529 8.027 158 HD23 LEU 20 2HD2 LEU 20 -0.863 -2.580 7.164 159 H LEU 21 H LEU 21 -3.204 -2.984 2.137 160 HA LEU 21 HA LEU 21 -5.589 -1.483 2.066 161 HB2 LEU 21 2HB LEU 21 -3.560 -2.013 0.315 162 HB3 LEU 21 1HB LEU 21 -4.859 -2.969 -0.376 163 HG LEU 21 HG LEU 21 -4.884 -0.887 -1.510 164 HD11 LEU 21 1HD1 LEU 21 -7.106 -1.607 -0.969 165 HD12 LEU 21 2HD1 LEU 21 -7.015 0.154 -0.878 166 HD13 LEU 21 3HD1 LEU 21 -7.027 -0.810 0.605 167 HD21 LEU 21 3HD2 LEU 21 -4.869 0.520 1.143 168 HD22 LEU 21 1HD2 LEU 21 -4.871 1.265 -0.458 169 HD23 LEU 21 2HD2 LEU 21 -3.475 0.326 0.081 170 H GLN 22 H GLN 22 -4.961 -4.883 2.068 171 HA GLN 22 HA GLN 22 -7.493 -5.595 0.908 172 HB2 GLN 22 2HB GLN 22 -5.446 -6.990 0.654 173 HB3 GLN 22 1HB GLN 22 -5.524 -7.360 2.370 174 HG2 GLN 22 2HG GLN 22 -7.610 -8.492 2.089 175 HG3 GLN 22 1HG GLN 22 -7.701 -8.001 0.400 176 HE21 GLN 22 1HE2 GLN 22 -7.691 -10.672 1.600 177 HE22 GLN 22 2HE2 GLN 22 -6.377 -11.506 0.855 178 H ARG 23 H ARG 23 -6.106 -5.557 4.193 179 HA ARG 23 HA ARG 23 -8.367 -6.613 5.506 180 HB2 ARG 23 2HB ARG 23 -7.356 -5.968 7.494 181 HB3 ARG 23 1HB ARG 23 -5.970 -5.998 6.415 182 HG2 ARG 23 2HG ARG 23 -6.132 -3.581 6.124 183 HG3 ARG 23 1HG ARG 23 -7.525 -3.546 7.180 184 HD2 ARG 23 2HD ARG 23 -5.651 -2.870 8.439 185 HD3 ARG 23 1HD ARG 23 -6.139 -4.476 8.977 186 HE ARG 23 HE ARG 23 -4.237 -4.734 6.956 187 HH11 ARG 23 1HH1 ARG 23 -4.419 -3.560 10.241 188 HH12 ARG 23 2HH1 ARG 23 -2.798 -4.083 10.611 189 HH21 ARG 23 1HH2 ARG 23 -2.201 -5.353 7.398 190 HH22 ARG 23 2HH2 ARG 23 -1.534 -4.970 8.923 191 H THR 24 H THR 24 -7.583 -3.472 4.318 192 HA THR 24 HA THR 24 -9.744 -2.112 5.636 193 HB THR 24 HB THR 24 -7.891 -1.187 3.432 194 HG1 THR 24 1HG THR 24 -6.431 -1.225 4.968 195 HG21 THR 24 3HG2 THR 24 -9.975 0.119 5.045 196 HG22 THR 24 1HG2 THR 24 -9.351 0.525 3.436 197 HG23 THR 24 2HG2 THR 24 -8.455 1.003 4.892 198 H TYR 25 H TYR 25 -8.860 -2.881 2.302 199 HA TYR 25 HA TYR 25 -11.711 -2.768 1.535 200 HB2 TYR 25 2HB TYR 25 -9.306 -1.866 -0.046 201 HB3 TYR 25 1HB TYR 25 -10.954 -1.954 -0.664 202 HD1 TYR 25 2HD TYR 25 -12.725 -0.646 0.580 203 HD2 TYR 25 1HD TYR 25 -8.581 0.062 1.062 204 HE1 TYR 25 2HE TYR 25 -13.210 1.646 1.385 205 HE2 TYR 25 1HE TYR 25 -9.024 2.315 1.865 206 HH TYR 25 HH TYR 25 -10.633 3.961 1.890 207 H THR 26 H THR 26 -11.966 -4.982 1.690 208 HA THR 26 HA THR 26 -10.080 -6.771 0.399 209 HB THR 26 HB THR 26 -12.606 -7.781 1.615 210 HG1 THR 26 1HG THR 26 -10.517 -6.445 3.024 211 HG21 THR 26 3HG2 THR 26 -10.881 -9.312 0.773 212 HG22 THR 26 1HG2 THR 26 -11.075 -9.472 2.519 213 HG23 THR 26 2HG2 THR 26 -9.701 -8.584 1.861 214 H LYS 27 H LYS 27 -12.181 -8.774 -0.153 215 HA LYS 27 HA LYS 27 -13.095 -7.701 -2.709 216 HB2 LYS 27 2HB LYS 27 -13.669 -10.156 -3.113 217 HB3 LYS 27 1HB LYS 27 -11.964 -9.745 -2.989 218 HG2 LYS 27 2HG LYS 27 -11.732 -10.753 -0.923 219 HG3 LYS 27 1HG LYS 27 -13.458 -10.674 -0.575 220 HD2 LYS 27 2HD LYS 27 -12.916 -12.958 -1.055 221 HD3 LYS 27 1HD LYS 27 -13.812 -12.324 -2.436 222 HE2 LYS 27 2HE LYS 27 -11.478 -11.803 -3.416 223 HE3 LYS 27 1HE LYS 27 -10.888 -12.937 -2.202 224 HZ1 LYS 27 3HZ LYS 27 -12.245 -14.664 -3.139 225 HZ2 LYS 27 1HZ LYS 27 -11.328 -13.964 -4.385 226 HZ3 LYS 27 2HZ LYS 27 -12.972 -13.579 -4.228 227 H THR 28 H THR 28 -14.249 -8.799 0.368 228 HA THR 28 HA THR 28 -17.010 -8.442 -0.565 229 HB THR 28 HB THR 28 -16.688 -10.756 0.009 230 HG1 THR 28 1HG THR 28 -18.380 -9.133 1.357 231 HG21 THR 28 3HG2 THR 28 -15.674 -9.764 2.675 232 HG22 THR 28 1HG2 THR 28 -14.731 -10.586 1.432 233 HG23 THR 28 2HG2 THR 28 -16.012 -11.451 2.282 234 H GLY 29 H GLY 29 -14.698 -7.771 2.002 235 HA2 GLY 29 2HA GLY 29 -16.318 -6.557 3.819 236 HA3 GLY 29 1HA GLY 29 -14.623 -6.197 3.611 237 H LYS 30 H LYS 30 -13.999 -4.451 2.338 238 HA LYS 30 HA LYS 30 -16.179 -2.761 1.316 239 HB2 LYS 30 2HB LYS 30 -13.473 -1.857 2.341 240 HB3 LYS 30 1HB LYS 30 -14.700 -0.811 1.644 241 HG2 LYS 30 2HG LYS 30 -16.235 -1.483 3.481 242 HG3 LYS 30 1HG LYS 30 -14.890 -2.356 4.215 243 HD2 LYS 30 2HD LYS 30 -15.168 -0.160 5.222 244 HD3 LYS 30 1HD LYS 30 -13.624 -0.269 4.380 245 HE2 LYS 30 2HE LYS 30 -14.457 1.012 2.546 246 HE3 LYS 30 1HE LYS 30 -16.106 0.933 3.166 247 HZ1 LYS 30 3HZ LYS 30 -13.817 2.381 4.416 248 HZ2 LYS 30 1HZ LYS 30 -15.369 2.230 5.095 249 HZ3 LYS 30 2HZ LYS 30 -15.163 3.072 3.647 250 HA PRO 31 HA PRO 31 -14.384 -3.518 -2.631 251 HB2 PRO 31 2HB PRO 31 -15.519 -0.935 -3.473 252 HB3 PRO 31 1HB PRO 31 -15.905 -2.560 -4.040 253 HG2 PRO 31 2HG PRO 31 -17.626 -1.162 -2.532 254 HG3 PRO 31 1HG PRO 31 -17.458 -2.920 -2.356 255 HD2 PRO 31 2HD PRO 31 -16.288 -0.728 -0.671 256 HD3 PRO 31 1HD PRO 31 -17.066 -2.240 -0.153 257 H LYS 32 H LYS 32 -12.448 -3.045 -3.555 258 HA LYS 32 HA LYS 32 -10.664 -1.161 -2.636 259 HB2 LYS 32 2HB LYS 32 -10.005 -3.039 -4.065 260 HB3 LYS 32 1HB LYS 32 -10.861 -2.333 -5.420 261 HG2 LYS 32 2HG LYS 32 -9.094 -1.122 -5.985 262 HG3 LYS 32 1HG LYS 32 -8.971 -0.448 -4.363 263 HD2 LYS 32 2HD LYS 32 -7.937 -3.167 -5.073 264 HD3 LYS 32 1HD LYS 32 -6.956 -1.713 -5.198 265 HE2 LYS 32 2HE LYS 32 -6.436 -2.630 -3.098 266 HE3 LYS 32 1HE LYS 32 -7.526 -1.293 -2.769 267 HZ1 LYS 32 3HZ LYS 32 -8.288 -4.163 -2.837 268 HZ2 LYS 32 1HZ LYS 32 -9.338 -2.874 -2.521 269 HZ3 LYS 32 2HZ LYS 32 -8.085 -3.228 -1.442 270 HA PRO 33 HA PRO 33 -12.547 2.666 -3.417 271 HB2 PRO 33 2HB PRO 33 -9.654 3.418 -3.751 272 HB3 PRO 33 1HB PRO 33 -10.878 4.230 -2.803 273 HG2 PRO 33 2HG PRO 33 -9.325 2.756 -1.486 274 HG3 PRO 33 1HG PRO 33 -11.050 2.397 -1.287 275 HD2 PRO 33 2HD PRO 33 -9.057 1.092 -3.112 276 HD3 PRO 33 1HD PRO 33 -10.066 0.342 -1.881 277 H SER 34 H SER 34 -13.147 4.038 -5.000 278 HA SER 34 HA SER 34 -12.716 3.241 -7.705 279 HB2 SER 34 2HB SER 34 -13.997 5.825 -6.818 280 HB3 SER 34 1HB SER 34 -14.384 4.841 -8.230 281 HG SER 34 HG SER 34 -15.806 3.869 -7.033 282 H THR 35 H THR 35 -11.338 5.449 -5.511 283 HA THR 35 HA THR 35 -9.303 6.225 -7.429 284 HB THR 35 HB THR 35 -10.740 8.419 -5.927 285 HG1 THR 35 1HG THR 35 -11.330 7.216 -8.388 286 HG21 THR 35 3HG2 THR 35 -8.773 8.401 -8.218 287 HG22 THR 35 1HG2 THR 35 -8.444 8.898 -6.559 288 HG23 THR 35 2HG2 THR 35 -9.547 9.845 -7.562 289 H TRP 36 H TRP 36 -7.371 6.771 -6.417 290 HA TRP 36 HA TRP 36 -6.991 5.668 -3.866 291 HB2 TRP 36 2HB TRP 36 -5.174 5.480 -5.277 292 HB3 TRP 36 1HB TRP 36 -5.220 7.156 -5.735 293 HD1 TRP 36 HD TRP 36 -3.337 8.555 -4.712 294 HE1 TRP 36 1HE TRP 36 -1.767 8.347 -2.675 295 HE3 TRP 36 3HE TRP 36 -5.371 4.351 -2.586 296 HZ2 TRP 36 2HZ TRP 36 -1.477 6.634 -0.437 297 HZ3 TRP 36 3HZ TRP 36 -4.382 3.508 -0.495 298 HH2 TRP 36 HH TRP 36 -2.476 4.625 0.548 299 H ASP 37 H ASP 37 -8.057 8.763 -4.754 300 HA ASP 37 HA ASP 37 -7.049 10.357 -2.671 301 HB2 ASP 37 2HB ASP 37 -8.147 11.411 -4.529 302 HB3 ASP 37 1HB ASP 37 -9.626 10.502 -4.244 303 H LEU 38 H LEU 38 -10.173 8.636 -2.867 304 HA LEU 38 HA LEU 38 -10.880 9.282 -0.187 305 HB2 LEU 38 2HB LEU 38 -12.648 7.510 -0.505 306 HB3 LEU 38 1HB LEU 38 -12.679 8.832 -1.656 307 HG LEU 38 HG LEU 38 -11.081 6.663 -2.686 308 HD11 LEU 38 1HD1 LEU 38 -12.465 5.241 -1.271 309 HD12 LEU 38 2HD1 LEU 38 -12.860 5.016 -2.975 310 HD13 LEU 38 3HD1 LEU 38 -13.921 5.975 -1.944 311 HD21 LEU 38 3HD2 LEU 38 -13.700 7.835 -3.611 312 HD22 LEU 38 1HD2 LEU 38 -12.559 6.907 -4.582 313 HD23 LEU 38 2HD2 LEU 38 -12.108 8.502 -3.975 314 H ALA 39 H ALA 39 -9.090 6.772 -1.707 315 HA ALA 39 HA ALA 39 -9.287 4.807 0.319 316 HB1 ALA 39 1HB ALA 39 -8.631 4.319 -1.993 317 HB2 ALA 39 2HB ALA 39 -7.431 3.747 -0.826 318 HB3 ALA 39 3HB ALA 39 -7.134 5.227 -1.742 319 H SER 40 H SER 40 -6.804 7.173 -0.535 320 HA SER 40 HA SER 40 -5.050 6.457 1.552 321 HB2 SER 40 2HB SER 40 -3.914 8.602 0.975 322 HB3 SER 40 1HB SER 40 -4.156 7.519 -0.386 323 HG SER 40 HG SER 40 -5.757 8.809 -1.148 324 H LYS 41 H LYS 41 -7.610 8.833 1.294 325 HA LYS 41 HA LYS 41 -6.971 10.273 3.629 326 HB2 LYS 41 2HB LYS 41 -9.534 9.906 2.104 327 HB3 LYS 41 1HB LYS 41 -9.404 10.996 3.469 328 HG2 LYS 41 2HG LYS 41 -7.534 12.139 2.291 329 HG3 LYS 41 1HG LYS 41 -7.883 11.127 0.888 330 HD2 LYS 41 2HD LYS 41 -9.514 13.312 2.103 331 HD3 LYS 41 1HD LYS 41 -9.052 13.046 0.424 332 HE2 LYS 41 2HE LYS 41 -10.494 10.865 0.759 333 HE3 LYS 41 1HE LYS 41 -11.257 11.852 1.998 334 HZ1 LYS 41 3HZ LYS 41 -12.459 12.201 -0.000 335 HZ2 LYS 41 1HZ LYS 41 -11.044 12.482 -0.899 336 HZ3 LYS 41 2HZ LYS 41 -11.545 13.601 0.273 337 H GLU 42 H GLU 42 -9.091 7.472 3.109 338 HA GLU 42 HA GLU 42 -9.713 7.319 5.931 339 HB2 GLU 42 2HB GLU 42 -11.289 6.500 4.161 340 HB3 GLU 42 1HB GLU 42 -10.156 5.203 3.810 341 HG2 GLU 42 2HG GLU 42 -10.440 4.275 5.998 342 HG3 GLU 42 1HG GLU 42 -11.423 5.645 6.503 343 H LEU 43 H LEU 43 -7.213 6.245 3.874 344 HA LEU 43 HA LEU 43 -6.425 3.922 5.368 345 HB2 LEU 43 2HB LEU 43 -5.951 4.948 2.822 346 HB3 LEU 43 1HB LEU 43 -4.391 5.032 3.620 347 HG LEU 43 HG LEU 43 -4.509 2.968 2.425 348 HD11 LEU 43 1HD1 LEU 43 -4.239 1.339 4.222 349 HD12 LEU 43 2HD1 LEU 43 -4.977 2.473 5.355 350 HD13 LEU 43 3HD1 LEU 43 -3.432 2.864 4.598 351 HD21 LEU 43 3HD2 LEU 43 -7.059 2.407 3.927 352 HD22 LEU 43 1HD2 LEU 43 -6.273 1.337 2.766 353 HD23 LEU 43 2HD2 LEU 43 -6.952 2.875 2.231 354 H GLY 44 H GLY 44 -5.904 7.250 5.859 355 HA2 GLY 44 2HA GLY 44 -3.109 7.155 6.391 356 HA3 GLY 44 1HA GLY 44 -4.162 8.497 6.752 357 H GLU 45 H GLU 45 -5.564 5.954 8.280 358 HA GLU 45 HA GLU 45 -4.122 6.521 10.703 359 HB2 GLU 45 2HB GLU 45 -6.040 5.529 11.892 360 HB3 GLU 45 1HB GLU 45 -6.482 6.900 10.889 361 HG2 GLU 45 2HG GLU 45 -8.173 5.460 10.404 362 HG3 GLU 45 1HG GLU 45 -7.027 5.033 9.134 363 H SER 46 H SER 46 -4.262 4.139 8.329 364 HA SER 46 HA SER 46 -3.038 2.180 10.139 365 HB2 SER 46 2HB SER 46 -4.130 1.940 7.330 366 HB3 SER 46 1HB SER 46 -3.168 0.671 8.085 367 HG SER 46 HG SER 46 -5.527 1.744 9.267 368 H LEU 47 H LEU 47 -0.915 2.203 10.297 369 HA LEU 47 HA LEU 47 0.498 4.264 8.978 370 HB2 LEU 47 2HB LEU 47 1.771 2.085 10.599 371 HB3 LEU 47 1HB LEU 47 2.356 3.711 10.337 372 HG LEU 47 HG LEU 47 1.601 3.845 12.490 373 HD11 LEU 47 1HD1 LEU 47 -0.860 4.497 10.888 374 HD12 LEU 47 2HD1 LEU 47 0.495 5.583 11.215 375 HD13 LEU 47 3HD1 LEU 47 -0.532 5.030 12.540 376 HD21 LEU 47 3HD2 LEU 47 -0.438 2.718 13.305 377 HD22 LEU 47 1HD2 LEU 47 0.779 1.611 12.668 378 HD23 LEU 47 2HD2 LEU 47 -0.638 2.008 11.700 379 H GLU 48 H GLU 48 -0.078 1.179 7.670 380 HA GLU 48 HA GLU 48 2.626 0.789 6.750 381 HB2 GLU 48 2HB GLU 48 0.631 -0.934 6.907 382 HB3 GLU 48 1HB GLU 48 0.252 -0.340 5.313 383 HG2 GLU 48 2HG GLU 48 1.602 -2.390 5.296 384 HG3 GLU 48 1HG GLU 48 2.344 -1.032 4.480 385 H TYR 49 H TYR 49 -0.128 2.645 5.872 386 HA TYR 49 HA TYR 49 0.894 3.232 3.218 387 HB2 TYR 49 2HB TYR 49 -1.312 3.597 2.968 388 HB3 TYR 49 1HB TYR 49 -1.576 3.662 4.693 389 HD1 TYR 49 1HD TYR 49 -0.980 5.569 1.652 390 HD2 TYR 49 2HD TYR 49 -1.616 5.820 5.846 391 HE1 TYR 49 1HE TYR 49 -1.503 7.956 1.421 392 HE2 TYR 49 2HE TYR 49 -2.115 8.221 5.643 393 HH TYR 49 HH TYR 49 -1.614 10.087 4.054 394 H LYS 50 H LYS 50 1.270 4.292 6.442 395 HA LYS 50 HA LYS 50 2.544 6.779 5.650 396 HB2 LYS 50 2HB LYS 50 1.152 6.136 7.831 397 HB3 LYS 50 1HB LYS 50 2.745 5.680 8.406 398 HG2 LYS 50 2HG LYS 50 3.597 7.853 8.168 399 HG3 LYS 50 1HG LYS 50 2.212 8.366 7.207 400 HD2 LYS 50 2HD LYS 50 1.966 7.461 10.063 401 HD3 LYS 50 1HD LYS 50 2.253 9.144 9.607 402 HE2 LYS 50 2HE LYS 50 0.195 8.974 8.149 403 HE3 LYS 50 1HE LYS 50 -0.134 7.429 8.940 404 HZ1 LYS 50 3HZ LYS 50 -0.333 8.534 11.040 405 HZ2 LYS 50 1HZ LYS 50 -1.301 9.372 9.928 406 HZ3 LYS 50 2HZ LYS 50 0.203 10.003 10.388 407 H ALA 51 H ALA 51 3.308 3.488 5.947 408 HA ALA 51 HA ALA 51 6.131 3.921 6.557 409 HB1 ALA 51 1HB ALA 51 5.137 1.898 7.399 410 HB2 ALA 51 2HB ALA 51 6.277 1.458 6.127 411 HB3 ALA 51 3HB ALA 51 4.543 1.469 5.795 412 H LEU 52 H LEU 52 4.127 4.372 4.131 413 HA LEU 52 HA LEU 52 6.026 3.709 1.999 414 HB2 LEU 52 2HB LEU 52 4.139 2.108 2.317 415 HB3 LEU 52 1HB LEU 52 3.022 3.414 1.974 416 HG LEU 52 HG LEU 52 3.794 3.545 -0.280 417 HD11 LEU 52 1HD1 LEU 52 5.838 1.533 0.615 418 HD12 LEU 52 2HD1 LEU 52 6.133 3.148 -0.038 419 HD13 LEU 52 3HD1 LEU 52 5.487 1.878 -1.082 420 HD21 LEU 52 3HD2 LEU 52 3.278 1.209 -1.025 421 HD22 LEU 52 1HD2 LEU 52 2.102 1.906 0.095 422 HD23 LEU 52 2HD2 LEU 52 3.291 0.741 0.678 423 H GLY 53 H GLY 53 5.243 6.113 3.627 424 HA2 GLY 53 2HA GLY 53 4.173 7.899 1.600 425 HA3 GLY 53 1HA GLY 53 4.607 8.329 3.251 426 H ASP 54 H ASP 54 6.898 6.472 1.552 427 HA ASP 54 HA ASP 54 8.478 8.874 0.906 428 HB2 ASP 54 2HB ASP 54 9.356 7.139 2.623 429 HB3 ASP 54 1HB ASP 54 9.604 6.092 1.231 430 H GLU 55 H GLU 55 7.478 5.678 -0.083 431 HA GLU 55 HA GLU 55 8.077 6.221 -2.892 432 HB2 GLU 55 2HB GLU 55 6.949 3.739 -1.564 433 HB3 GLU 55 1HB GLU 55 7.346 3.889 -3.267 434 HG2 GLU 55 2HG GLU 55 9.304 4.017 -0.984 435 HG3 GLU 55 1HG GLU 55 9.022 2.631 -2.033 436 H ASP 56 H ASP 56 6.335 8.012 -2.241 437 HA ASP 56 HA ASP 56 3.699 7.316 -1.670 438 HB2 ASP 56 2HB ASP 56 4.305 9.701 -3.378 439 HB3 ASP 56 1HB ASP 56 3.087 9.521 -2.136 440 H ASN 57 H ASN 57 5.243 7.858 -4.837 441 HA ASN 57 HA ASN 57 2.733 7.632 -6.219 442 HB2 ASN 57 2HB ASN 57 3.889 8.202 -8.121 443 HB3 ASN 57 1HB ASN 57 4.997 8.841 -6.914 444 HD21 ASN 57 1HD2 ASN 57 6.922 7.643 -6.445 445 HD22 ASN 57 2HD2 ASN 57 7.588 6.592 -7.646 446 H ILE 58 H ILE 58 5.268 5.475 -5.221 447 HA ILE 58 HA ILE 58 4.447 3.241 -6.745 448 HB ILE 58 HB ILE 58 5.905 3.512 -4.131 449 HG12 ILE 58 2HG1 ILE 58 7.715 2.423 -5.710 450 HG13 ILE 58 1HG1 ILE 58 6.701 3.099 -6.983 451 HG21 ILE 58 1HG2 ILE 58 5.372 0.978 -5.664 452 HG22 ILE 58 2HG2 ILE 58 4.710 1.404 -4.086 453 HG23 ILE 58 3HG2 ILE 58 6.443 1.129 -4.268 454 HD11 ILE 58 3HD1 ILE 58 6.920 5.306 -5.913 455 HD12 ILE 58 1HD1 ILE 58 8.456 4.630 -6.463 456 HD13 ILE 58 2HD1 ILE 58 8.041 4.591 -4.747 457 H ARG 59 H ARG 59 3.814 4.352 -3.453 458 HA ARG 59 HA ARG 59 2.126 2.388 -2.563 459 HB2 ARG 59 2HB ARG 59 2.704 3.861 -0.920 460 HB3 ARG 59 1HB ARG 59 2.471 5.276 -1.936 461 HG2 ARG 59 2HG ARG 59 0.061 5.027 -1.721 462 HG3 ARG 59 1HG ARG 59 0.283 3.577 -0.751 463 HD2 ARG 59 2HD ARG 59 -0.191 5.790 0.425 464 HD3 ARG 59 1HD ARG 59 1.105 4.781 1.025 465 HE ARG 59 HE ARG 59 2.686 6.298 0.065 466 HH11 ARG 59 1HH1 ARG 59 -0.628 7.364 -0.217 467 HH12 ARG 59 2HH1 ARG 59 -0.224 9.048 -0.217 468 HH21 ARG 59 1HH2 ARG 59 3.215 8.540 0.081 469 HH22 ARG 59 2HH2 ARG 59 1.946 9.711 -0.072 470 H ARG 60 H ARG 60 1.156 5.386 -4.257 471 HA ARG 60 HA ARG 60 -1.600 4.781 -4.337 472 HB2 ARG 60 2HB ARG 60 -1.490 6.485 -6.298 473 HB3 ARG 60 1HB ARG 60 -1.106 7.033 -4.671 474 HG2 ARG 60 2HG ARG 60 1.201 7.028 -5.106 475 HG3 ARG 60 1HG ARG 60 1.003 6.129 -6.592 476 HD2 ARG 60 2HD ARG 60 0.737 8.991 -6.061 477 HD3 ARG 60 1HD ARG 60 1.202 8.155 -7.536 478 HE ARG 60 HE ARG 60 -1.227 7.690 -7.844 479 HH11 ARG 60 1HH1 ARG 60 -0.170 10.425 -5.936 480 HH12 ARG 60 2HH1 ARG 60 -1.657 11.298 -6.160 481 HH21 ARG 60 1HH2 ARG 60 -3.148 8.818 -8.144 482 HH22 ARG 60 2HH2 ARG 60 -3.332 10.388 -7.438 483 H GLN 61 H GLN 61 1.096 4.088 -6.486 484 HA GLN 61 HA GLN 61 -0.465 3.266 -8.714 485 HB2 GLN 61 2HB GLN 61 2.061 3.915 -8.581 486 HB3 GLN 61 1HB GLN 61 2.313 2.218 -8.173 487 HG2 GLN 61 2HG GLN 61 2.550 2.750 -10.598 488 HG3 GLN 61 1HG GLN 61 1.354 1.501 -10.233 489 HE21 GLN 61 1HE2 GLN 61 -0.838 2.053 -10.248 490 HE22 GLN 61 2HE2 GLN 61 -1.423 3.426 -11.100 491 H ILE 62 H ILE 62 1.242 1.365 -6.139 492 HA ILE 62 HA ILE 62 0.402 -1.156 -7.088 493 HB ILE 62 HB ILE 62 0.407 -1.067 -4.166 494 HG12 ILE 62 2HG1 ILE 62 3.089 -0.616 -5.396 495 HG13 ILE 62 1HG1 ILE 62 2.087 0.767 -4.983 496 HG21 ILE 62 1HG2 ILE 62 0.542 -3.119 -5.436 497 HG22 ILE 62 2HG2 ILE 62 2.020 -2.891 -4.501 498 HG23 ILE 62 3HG2 ILE 62 2.016 -2.554 -6.229 499 HD11 ILE 62 3HD1 ILE 62 3.582 0.309 -3.171 500 HD12 ILE 62 1HD1 ILE 62 3.054 -1.374 -3.112 501 HD13 ILE 62 2HD1 ILE 62 1.934 -0.083 -2.669 502 H PHE 63 H PHE 63 -1.178 1.192 -4.998 503 HA PHE 63 HA PHE 63 -3.236 -0.379 -4.002 504 HB2 PHE 63 2HB PHE 63 -3.128 1.677 -2.981 505 HB3 PHE 63 1HB PHE 63 -2.909 2.519 -4.504 506 HD1 PHE 63 1HD PHE 63 -5.450 0.548 -2.635 507 HD2 PHE 63 2HD PHE 63 -4.689 3.665 -5.438 508 HE1 PHE 63 1HE PHE 63 -7.866 1.036 -2.747 509 HE2 PHE 63 2HE PHE 63 -7.088 4.160 -5.540 510 HZ PHE 63 HZ PHE 63 -8.680 2.849 -4.199 511 H GLU 64 H GLU 64 -3.191 1.681 -6.836 512 HA GLU 64 HA GLU 64 -5.636 1.109 -7.973 513 HB2 GLU 64 2HB GLU 64 -2.997 1.486 -9.407 514 HB3 GLU 64 1HB GLU 64 -4.583 1.682 -10.117 515 HG2 GLU 64 2HG GLU 64 -3.614 3.347 -7.819 516 HG3 GLU 64 1HG GLU 64 -3.357 3.790 -9.504 517 H ASP 65 H ASP 65 -2.589 -0.660 -8.259 518 HA ASP 65 HA ASP 65 -3.657 -2.497 -10.218 519 HB2 ASP 65 2HB ASP 65 -1.354 -1.577 -10.344 520 HB3 ASP 65 1HB ASP 65 -0.937 -2.499 -8.905 521 H PHE 66 H PHE 66 -3.823 -2.484 -6.881 522 HA PHE 66 HA PHE 66 -2.818 -4.901 -6.042 523 HB2 PHE 66 2HB PHE 66 -4.963 -3.081 -5.089 524 HB3 PHE 66 1HB PHE 66 -4.806 -4.650 -4.326 525 HD1 PHE 66 1HD PHE 66 -1.674 -4.605 -4.821 526 HD2 PHE 66 2HD PHE 66 -4.473 -1.980 -2.995 527 HE1 PHE 66 1HE PHE 66 0.098 -3.751 -3.344 528 HE2 PHE 66 2HE PHE 66 -2.711 -1.117 -1.516 529 HZ PHE 66 HZ PHE 66 -0.419 -2.002 -1.691 530 H LYS 67 H LYS 67 -6.159 -4.276 -6.949 531 HA LYS 67 HA LYS 67 -7.813 -5.522 -7.794 532 HB2 LYS 67 2HB LYS 67 -5.764 -7.583 -8.597 533 HB3 LYS 67 1HB LYS 67 -7.326 -7.276 -9.329 534 HG2 LYS 67 2HG LYS 67 -4.881 -5.534 -9.466 535 HG3 LYS 67 1HG LYS 67 -5.616 -6.460 -10.777 536 HD2 LYS 67 2HD LYS 67 -7.658 -4.845 -9.783 537 HD3 LYS 67 1HD LYS 67 -6.231 -3.810 -9.825 538 HE2 LYS 67 2HE LYS 67 -7.733 -4.039 -11.949 539 HE3 LYS 67 1HE LYS 67 -5.979 -3.978 -12.092 540 HZ1 LYS 67 3HZ LYS 67 -5.881 -6.322 -12.352 541 HZ2 LYS 67 1HZ LYS 67 -7.059 -5.756 -13.427 542 HZ3 LYS 67 2HZ LYS 67 -7.523 -6.516 -11.985 543 HA PRO 68 HA PRO 68 -8.531 -8.320 -4.289 544 HB2 PRO 68 2HB PRO 68 -11.195 -7.163 -4.717 545 HB3 PRO 68 1HB PRO 68 -10.247 -7.279 -3.233 546 HG2 PRO 68 2HG PRO 68 -10.620 -4.931 -4.467 547 HG3 PRO 68 1HG PRO 68 -9.075 -5.326 -3.703 548 HD2 PRO 68 2HD PRO 68 -9.809 -5.434 -6.587 549 HD3 PRO 68 1HD PRO 68 -8.342 -4.806 -5.829 550 H GLU 69 H GLU 69 -10.904 -9.379 -4.090 551 HA GLU 69 HA GLU 69 -12.132 -11.161 -4.681 552 HB2 GLU 69 2HB GLU 69 -13.204 -9.275 -5.988 553 HB3 GLU 69 1HB GLU 69 -12.344 -9.877 -7.399 554 HG2 GLU 69 2HG GLU 69 -14.675 -10.663 -7.272 555 HG3 GLU 69 1HG GLU 69 -13.503 -11.978 -7.279 Start of MODEL 6 1 H ASN 5 H ASN 5 18.467 -4.887 -1.021 2 HA ASN 5 HA ASN 5 17.442 -6.858 0.854 3 HB2 ASN 5 2HB ASN 5 19.742 -6.323 1.654 4 HB3 ASN 5 1HB ASN 5 19.251 -4.638 1.795 5 HD21 ASN 5 1HD2 ASN 5 17.263 -7.428 2.510 6 HD22 ASN 5 2HD2 ASN 5 17.130 -7.134 4.202 7 H GLU 6 H GLU 6 18.062 -3.450 0.516 8 HA GLU 6 HA GLU 6 15.742 -2.365 1.544 9 HB2 GLU 6 2HB GLU 6 16.412 -0.732 -0.572 10 HB3 GLU 6 1HB GLU 6 17.149 -0.673 1.028 11 HG2 GLU 6 2HG GLU 6 18.961 -0.804 -0.457 12 HG3 GLU 6 1HG GLU 6 18.784 -2.415 0.181 13 H ARG 7 H ARG 7 16.405 -3.665 -1.671 14 HA ARG 7 HA ARG 7 13.953 -3.110 -2.905 15 HB2 ARG 7 2HB ARG 7 15.806 -5.478 -3.242 16 HB3 ARG 7 1HB ARG 7 14.467 -5.107 -4.318 17 HG2 ARG 7 2HG ARG 7 16.986 -3.545 -3.875 18 HG3 ARG 7 1HG ARG 7 16.385 -4.266 -5.372 19 HD2 ARG 7 2HD ARG 7 14.401 -2.703 -5.160 20 HD3 ARG 7 1HD ARG 7 15.303 -1.887 -3.890 21 HE ARG 7 HE ARG 7 17.076 -1.539 -5.628 22 HH11 ARG 7 1HH1 ARG 7 13.723 -1.952 -6.524 23 HH12 ARG 7 2HH1 ARG 7 13.847 -0.986 -7.956 24 HH21 ARG 7 1HH2 ARG 7 17.261 -0.285 -7.517 25 HH22 ARG 7 2HH2 ARG 7 15.872 -0.053 -8.544 26 H ARG 8 H ARG 8 15.008 -5.933 -1.048 27 HA ARG 8 HA ARG 8 12.597 -7.372 -1.186 28 HB2 ARG 8 2HB ARG 8 14.918 -8.207 -0.497 29 HB3 ARG 8 1HB ARG 8 14.574 -7.530 1.088 30 HG2 ARG 8 2HG ARG 8 14.090 -9.892 1.072 31 HG3 ARG 8 1HG ARG 8 12.593 -8.971 1.254 32 HD2 ARG 8 2HD ARG 8 12.213 -9.197 -1.180 33 HD3 ARG 8 1HD ARG 8 13.647 -10.215 -1.282 34 HE ARG 8 HE ARG 8 12.292 -11.587 0.497 35 HH11 ARG 8 1HH1 ARG 8 11.088 -10.005 -2.404 36 HH12 ARG 8 2HH1 ARG 8 9.805 -11.167 -2.647 37 HH21 ARG 8 1HH2 ARG 8 10.604 -13.094 0.178 38 HH22 ARG 8 2HH2 ARG 8 9.534 -12.926 -1.182 39 H ILE 9 H ILE 9 13.842 -5.014 1.117 40 HA ILE 9 HA ILE 9 11.769 -5.131 3.003 41 HB ILE 9 HB ILE 9 13.646 -2.933 2.159 42 HG12 ILE 9 2HG1 ILE 9 13.509 -4.556 4.699 43 HG13 ILE 9 1HG1 ILE 9 14.547 -4.939 3.326 44 HG21 ILE 9 1HG2 ILE 9 12.941 -1.688 4.163 45 HG22 ILE 9 2HG2 ILE 9 11.668 -2.874 4.443 46 HG23 ILE 9 3HG2 ILE 9 11.627 -1.858 3.002 47 HD11 ILE 9 3HD1 ILE 9 14.659 -2.489 5.059 48 HD12 ILE 9 1HD1 ILE 9 15.607 -2.718 3.589 49 HD13 ILE 9 2HD1 ILE 9 15.841 -3.795 4.968 50 H LEU 10 H LEU 10 12.184 -3.113 0.112 51 HA LEU 10 HA LEU 10 9.861 -1.574 0.444 52 HB2 LEU 10 2HB LEU 10 11.870 -1.068 -0.952 53 HB3 LEU 10 1HB LEU 10 11.290 -2.231 -2.128 54 HG LEU 10 HG LEU 10 9.200 -0.827 -2.332 55 HD11 LEU 10 1HD1 LEU 10 9.410 1.524 -1.595 56 HD12 LEU 10 2HD1 LEU 10 10.881 1.085 -0.724 57 HD13 LEU 10 3HD1 LEU 10 9.336 0.382 -0.253 58 HD21 LEU 10 3HD2 LEU 10 10.955 -0.755 -3.998 59 HD22 LEU 10 1HD2 LEU 10 11.854 0.419 -3.039 60 HD23 LEU 10 2HD2 LEU 10 10.299 0.862 -3.744 61 H GLU 11 H GLU 11 10.444 -4.587 -1.365 62 HA GLU 11 HA GLU 11 7.817 -4.506 -2.551 63 HB2 GLU 11 2HB GLU 11 8.409 -6.696 -3.520 64 HB3 GLU 11 1HB GLU 11 9.611 -5.456 -3.845 65 HG2 GLU 11 2HG GLU 11 10.973 -6.365 -1.986 66 HG3 GLU 11 1HG GLU 11 9.797 -7.669 -1.819 67 H GLN 12 H GLN 12 9.273 -6.067 0.236 68 HA GLN 12 HA GLN 12 6.971 -7.712 0.732 69 HB2 GLN 12 2HB GLN 12 9.272 -8.184 1.659 70 HB3 GLN 12 1HB GLN 12 9.036 -6.819 2.748 71 HG2 GLN 12 2HG GLN 12 8.527 -8.945 3.836 72 HG3 GLN 12 1HG GLN 12 7.109 -7.901 3.741 73 HE21 GLN 12 1HE2 GLN 12 8.467 -9.787 1.108 74 HE22 GLN 12 2HE2 GLN 12 7.121 -10.856 0.929 75 H LYS 13 H LYS 13 8.107 -4.534 1.659 76 HA LYS 13 HA LYS 13 6.013 -3.892 3.443 77 HB2 LYS 13 2HB LYS 13 8.240 -2.631 2.955 78 HB3 LYS 13 1HB LYS 13 7.337 -1.870 1.653 79 HG2 LYS 13 2HG LYS 13 5.796 -0.896 3.176 80 HG3 LYS 13 1HG LYS 13 6.450 -1.836 4.524 81 HD2 LYS 13 2HD LYS 13 8.662 -0.699 4.057 82 HD3 LYS 13 1HD LYS 13 7.771 0.392 2.998 83 HE2 LYS 13 2HE LYS 13 8.129 1.309 5.261 84 HE3 LYS 13 1HE LYS 13 6.423 1.158 4.842 85 HZ1 LYS 13 3HZ LYS 13 6.147 -0.630 6.274 86 HZ2 LYS 13 1HZ LYS 13 7.188 0.382 7.148 87 HZ3 LYS 13 2HZ LYS 13 7.805 -0.973 6.346 88 H LYS 14 H LYS 14 6.468 -3.538 -0.041 89 HA LYS 14 HA LYS 14 4.040 -2.497 -0.835 90 HB2 LYS 14 2HB LYS 14 6.029 -3.142 -2.284 91 HB3 LYS 14 1HB LYS 14 5.464 -4.800 -2.177 92 HG2 LYS 14 2HG LYS 14 3.332 -4.131 -3.187 93 HG3 LYS 14 1HG LYS 14 3.955 -2.493 -3.375 94 HD2 LYS 14 2HD LYS 14 5.589 -4.701 -4.492 95 HD3 LYS 14 1HD LYS 14 4.073 -4.331 -5.312 96 HE2 LYS 14 2HE LYS 14 4.809 -1.951 -5.438 97 HE3 LYS 14 1HE LYS 14 6.377 -2.450 -4.800 98 HZ1 LYS 14 3HZ LYS 14 5.141 -3.505 -7.290 99 HZ2 LYS 14 1HZ LYS 14 6.687 -3.879 -6.701 100 HZ3 LYS 14 2HZ LYS 14 6.343 -2.309 -7.242 101 H HIS 15 H HIS 15 4.897 -5.881 -0.142 102 HA HIS 15 HA HIS 15 2.368 -6.970 -0.739 103 HB2 HIS 15 2HB HIS 15 4.262 -8.450 -0.655 104 HB3 HIS 15 1HB HIS 15 4.598 -8.014 1.017 105 HD1 HIS 15 1HD HIS 15 4.265 -10.236 2.158 106 HD2 HIS 15 2HD HIS 15 1.060 -9.189 -0.289 107 HE1 HIS 15 1HE HIS 15 2.467 -11.939 2.618 108 HE2 HIS 15 2HE HIS 15 0.538 -11.292 1.119 109 H TYR 16 H TYR 16 3.793 -5.891 2.332 110 HA TYR 16 HA TYR 16 1.476 -6.663 3.807 111 HB2 TYR 16 2HB TYR 16 4.001 -5.218 4.470 112 HB3 TYR 16 1HB TYR 16 2.652 -5.186 5.612 113 HD1 TYR 16 1HD TYR 16 1.485 -7.829 5.214 114 HD2 TYR 16 2HD TYR 16 5.575 -6.679 5.476 115 HE1 TYR 16 1HE TYR 16 2.045 -10.068 6.010 116 HE2 TYR 16 2HE TYR 16 6.157 -8.938 6.266 117 HH TYR 16 HH TYR 16 4.057 -11.558 6.020 118 H PHE 17 H PHE 17 2.270 -3.868 1.991 119 HA PHE 17 HA PHE 17 0.281 -2.196 3.183 120 HB2 PHE 17 2HB PHE 17 2.220 -1.336 1.847 121 HB3 PHE 17 1HB PHE 17 1.457 -2.023 0.426 122 HD1 PHE 17 1HD PHE 17 0.449 0.072 3.298 123 HD2 PHE 17 2HD PHE 17 0.311 -0.553 -0.913 124 HE1 PHE 17 1HE PHE 17 -0.909 2.118 3.053 125 HE2 PHE 17 2HE PHE 17 -1.037 1.484 -1.170 126 HZ PHE 17 HZ PHE 17 -1.649 2.828 0.810 127 H TRP 18 H TRP 18 0.440 -4.607 0.671 128 HA TRP 18 HA TRP 18 -2.268 -4.182 -0.271 129 HB2 TRP 18 2HB TRP 18 -0.475 -5.191 -1.692 130 HB3 TRP 18 1HB TRP 18 -0.457 -6.582 -0.627 131 HD1 TRP 18 HD TRP 18 -0.916 -8.024 -2.816 132 HE1 TRP 18 1HE TRP 18 -3.067 -8.616 -4.077 133 HE3 TRP 18 3HE TRP 18 -4.117 -4.461 -0.882 134 HZ2 TRP 18 2HZ TRP 18 -5.706 -7.783 -4.239 135 HZ3 TRP 18 3HZ TRP 18 -6.461 -4.456 -1.711 136 HH2 TRP 18 HH TRP 18 -7.215 -6.088 -3.333 137 H LEU 19 H LEU 19 -0.572 -6.079 2.069 138 HA LEU 19 HA LEU 19 -2.712 -7.785 2.845 139 HB2 LEU 19 2HB LEU 19 -0.107 -7.770 3.393 140 HB3 LEU 19 1HB LEU 19 -0.624 -6.815 4.765 141 HG LEU 19 HG LEU 19 -2.296 -9.071 4.743 142 HD11 LEU 19 1HD1 LEU 19 -0.675 -10.906 4.816 143 HD12 LEU 19 2HD1 LEU 19 0.597 -9.791 4.314 144 HD13 LEU 19 3HD1 LEU 19 -0.737 -10.157 3.217 145 HD21 LEU 19 3HD2 LEU 19 -1.311 -9.499 6.858 146 HD22 LEU 19 1HD2 LEU 19 -1.332 -7.747 6.655 147 HD23 LEU 19 2HD2 LEU 19 0.170 -8.650 6.414 148 H LEU 20 H LEU 20 -1.600 -4.611 3.521 149 HA LEU 20 HA LEU 20 -3.360 -3.999 5.690 150 HB2 LEU 20 2HB LEU 20 -1.057 -3.001 4.972 151 HB3 LEU 20 1HB LEU 20 -2.007 -2.000 3.896 152 HG LEU 20 HG LEU 20 -1.456 -0.767 5.869 153 HD11 LEU 20 1HD1 LEU 20 -3.793 -0.312 6.749 154 HD12 LEU 20 2HD1 LEU 20 -4.349 -1.572 5.642 155 HD13 LEU 20 3HD1 LEU 20 -3.538 -0.134 5.016 156 HD21 LEU 20 3HD2 LEU 20 -2.298 -1.521 8.098 157 HD22 LEU 20 1HD2 LEU 20 -1.029 -2.542 7.419 158 HD23 LEU 20 2HD2 LEU 20 -2.713 -3.086 7.372 159 H LEU 21 H LEU 21 -3.221 -3.110 2.235 160 HA LEU 21 HA LEU 21 -5.551 -1.519 2.304 161 HB2 LEU 21 2HB LEU 21 -3.486 -1.458 0.794 162 HB3 LEU 21 1HB LEU 21 -4.198 -2.759 -0.088 163 HG LEU 21 HG LEU 21 -4.905 -1.081 -1.431 164 HD11 LEU 21 1HD1 LEU 21 -7.011 -1.876 -0.440 165 HD12 LEU 21 2HD1 LEU 21 -7.076 -0.200 -0.984 166 HD13 LEU 21 3HD1 LEU 21 -6.921 -0.562 0.739 167 HD21 LEU 21 3HD2 LEU 21 -4.709 0.741 0.945 168 HD22 LEU 21 1HD2 LEU 21 -5.097 1.252 -0.701 169 HD23 LEU 21 2HD2 LEU 21 -3.529 0.525 -0.347 170 H GLN 22 H GLN 22 -4.892 -4.955 1.674 171 HA GLN 22 HA GLN 22 -7.558 -5.425 0.652 172 HB2 GLN 22 2HB GLN 22 -5.658 -6.819 -0.107 173 HB3 GLN 22 1HB GLN 22 -5.502 -7.466 1.520 174 HG2 GLN 22 2HG GLN 22 -7.535 -8.615 1.380 175 HG3 GLN 22 1HG GLN 22 -8.056 -7.695 -0.028 176 HE21 GLN 22 1HE2 GLN 22 -4.822 -9.007 0.286 177 HE22 GLN 22 2HE2 GLN 22 -4.989 -10.214 -0.946 178 H ARG 23 H ARG 23 -5.951 -5.711 3.788 179 HA ARG 23 HA ARG 23 -8.068 -7.130 5.039 180 HB2 ARG 23 2HB ARG 23 -6.933 -6.878 7.008 181 HB3 ARG 23 1HB ARG 23 -5.617 -6.483 5.912 182 HG2 ARG 23 2HG ARG 23 -5.915 -4.141 6.281 183 HG3 ARG 23 1HG ARG 23 -7.395 -4.413 7.170 184 HD2 ARG 23 2HD ARG 23 -5.823 -3.985 8.799 185 HD3 ARG 23 1HD ARG 23 -6.013 -5.733 8.803 186 HE ARG 23 HE ARG 23 -3.936 -5.212 7.099 187 HH11 ARG 23 1HH1 ARG 23 -4.681 -4.637 10.455 188 HH12 ARG 23 2HH1 ARG 23 -3.008 -4.616 10.934 189 HH21 ARG 23 1HH2 ARG 23 -1.807 -5.205 7.697 190 HH22 ARG 23 2HH2 ARG 23 -1.395 -4.793 9.308 191 H THR 24 H THR 24 -7.446 -3.772 4.363 192 HA THR 24 HA THR 24 -9.684 -2.844 5.918 193 HB THR 24 HB THR 24 -8.120 -1.244 3.897 194 HG1 THR 24 1HG THR 24 -6.577 -2.044 5.297 195 HG21 THR 24 3HG2 THR 24 -9.692 -0.544 6.373 196 HG22 THR 24 1HG2 THR 24 -10.139 -0.185 4.699 197 HG23 THR 24 2HG2 THR 24 -8.738 0.608 5.435 198 H TYR 25 H TYR 25 -8.832 -2.533 2.466 199 HA TYR 25 HA TYR 25 -11.695 -2.482 1.867 200 HB2 TYR 25 2HB TYR 25 -9.397 -1.825 0.008 201 HB3 TYR 25 1HB TYR 25 -11.109 -1.538 -0.284 202 HD1 TYR 25 2HD TYR 25 -11.460 -0.579 2.766 203 HD2 TYR 25 1HD TYR 25 -8.925 0.533 -0.466 204 HE1 TYR 25 2HE TYR 25 -11.207 1.662 3.740 205 HE2 TYR 25 1HE TYR 25 -8.671 2.779 0.509 206 HH TYR 25 HH TYR 25 -9.701 4.249 2.009 207 H THR 26 H THR 26 -12.170 -4.583 2.041 208 HA THR 26 HA THR 26 -10.567 -6.698 1.054 209 HB THR 26 HB THR 26 -13.271 -7.524 1.448 210 HG1 THR 26 1HG THR 26 -12.419 -6.170 3.751 211 HG21 THR 26 3HG2 THR 26 -12.292 -8.670 3.399 212 HG22 THR 26 1HG2 THR 26 -10.814 -7.732 3.198 213 HG23 THR 26 2HG2 THR 26 -11.307 -8.877 1.951 214 H LYS 27 H LYS 27 -12.061 -8.485 -0.149 215 HA LYS 27 HA LYS 27 -12.339 -7.650 -2.820 216 HB2 LYS 27 2HB LYS 27 -13.663 -10.112 -1.731 217 HB3 LYS 27 1HB LYS 27 -12.867 -9.876 -3.283 218 HG2 LYS 27 2HG LYS 27 -10.740 -9.540 -1.812 219 HG3 LYS 27 1HG LYS 27 -11.680 -10.406 -0.603 220 HD2 LYS 27 2HD LYS 27 -11.948 -12.294 -2.051 221 HD3 LYS 27 1HD LYS 27 -11.211 -11.425 -3.398 222 HE2 LYS 27 2HE LYS 27 -9.092 -11.333 -2.166 223 HE3 LYS 27 1HE LYS 27 -9.834 -12.218 -0.834 224 HZ1 LYS 27 3HZ LYS 27 -9.502 -13.232 -3.611 225 HZ2 LYS 27 1HZ LYS 27 -10.194 -14.087 -2.311 226 HZ3 LYS 27 2HZ LYS 27 -8.552 -13.676 -2.276 227 H THR 28 H THR 28 -14.632 -8.000 -0.183 228 HA THR 28 HA THR 28 -16.672 -6.757 -1.879 229 HB THR 28 HB THR 28 -17.224 -9.118 -1.841 230 HG1 THR 28 1HG THR 28 -18.927 -7.468 -1.587 231 HG21 THR 28 3HG2 THR 28 -16.055 -9.736 0.229 232 HG22 THR 28 1HG2 THR 28 -17.724 -10.306 0.226 233 HG23 THR 28 2HG2 THR 28 -17.280 -8.885 1.169 234 H GLY 29 H GLY 29 -15.513 -7.406 1.404 235 HA2 GLY 29 2HA GLY 29 -17.228 -6.083 2.940 236 HA3 GLY 29 1HA GLY 29 -15.514 -6.111 3.255 237 H LYS 30 H LYS 30 -14.296 -4.526 1.704 238 HA LYS 30 HA LYS 30 -15.780 -1.988 1.580 239 HB2 LYS 30 2HB LYS 30 -12.931 -2.463 2.472 240 HB3 LYS 30 1HB LYS 30 -13.574 -0.872 2.093 241 HG2 LYS 30 2HG LYS 30 -14.999 -2.552 4.088 242 HG3 LYS 30 1HG LYS 30 -13.497 -1.760 4.556 243 HD2 LYS 30 2HD LYS 30 -15.905 -0.367 3.383 244 HD3 LYS 30 1HD LYS 30 -15.492 -0.413 5.100 245 HE2 LYS 30 2HE LYS 30 -13.242 0.574 4.396 246 HE3 LYS 30 1HE LYS 30 -14.014 0.919 2.850 247 HZ1 LYS 30 3HZ LYS 30 -14.821 1.943 5.515 248 HZ2 LYS 30 1HZ LYS 30 -15.719 2.183 4.098 249 HZ3 LYS 30 2HZ LYS 30 -14.154 2.837 4.239 250 HA PRO 31 HA PRO 31 -14.808 -2.397 -2.742 251 HB2 PRO 31 2HB PRO 31 -15.318 0.539 -2.656 252 HB3 PRO 31 1HB PRO 31 -16.013 -0.701 -3.715 253 HG2 PRO 31 2HG PRO 31 -17.432 0.342 -1.707 254 HG3 PRO 31 1HG PRO 31 -17.570 -1.372 -2.140 255 HD2 PRO 31 2HD PRO 31 -16.154 -0.100 0.156 256 HD3 PRO 31 1HD PRO 31 -17.012 -1.651 0.075 257 H LYS 32 H LYS 32 -12.765 -2.507 -3.447 258 HA LYS 32 HA LYS 32 -10.674 -0.804 -2.724 259 HB2 LYS 32 2HB LYS 32 -10.262 -2.933 -3.846 260 HB3 LYS 32 1HB LYS 32 -11.075 -2.371 -5.289 261 HG2 LYS 32 2HG LYS 32 -9.169 -1.567 -6.077 262 HG3 LYS 32 1HG LYS 32 -9.001 -0.527 -4.664 263 HD2 LYS 32 2HD LYS 32 -8.099 -3.405 -4.840 264 HD3 LYS 32 1HD LYS 32 -7.051 -1.994 -4.974 265 HE2 LYS 32 2HE LYS 32 -6.771 -2.572 -2.759 266 HE3 LYS 32 1HE LYS 32 -8.045 -1.362 -2.659 267 HZ1 LYS 32 3HZ LYS 32 -9.679 -3.129 -2.504 268 HZ2 LYS 32 1HZ LYS 32 -8.527 -3.295 -1.279 269 HZ3 LYS 32 2HZ LYS 32 -8.473 -4.304 -2.634 270 HA PRO 33 HA PRO 33 -12.451 2.984 -3.801 271 HB2 PRO 33 2HB PRO 33 -9.521 3.618 -4.070 272 HB3 PRO 33 1HB PRO 33 -10.748 4.531 -3.228 273 HG2 PRO 33 2HG PRO 33 -9.314 3.085 -1.772 274 HG3 PRO 33 1HG PRO 33 -11.061 2.812 -1.618 275 HD2 PRO 33 2HD PRO 33 -9.048 1.306 -3.247 276 HD3 PRO 33 1HD PRO 33 -10.161 0.691 -2.033 277 H SER 34 H SER 34 -12.870 4.425 -5.438 278 HA SER 34 HA SER 34 -12.136 3.580 -8.122 279 HB2 SER 34 2HB SER 34 -13.880 5.921 -7.360 280 HB3 SER 34 1HB SER 34 -13.905 4.988 -8.860 281 HG SER 34 HG SER 34 -14.592 3.175 -7.578 282 H THR 35 H THR 35 -10.955 5.557 -5.781 283 HA THR 35 HA THR 35 -8.997 6.722 -7.547 284 HB THR 35 HB THR 35 -10.579 8.609 -5.782 285 HG1 THR 35 1HG THR 35 -11.172 7.673 -8.280 286 HG21 THR 35 3HG2 THR 35 -8.255 9.219 -6.251 287 HG22 THR 35 1HG2 THR 35 -9.383 10.327 -7.038 288 HG23 THR 35 2HG2 THR 35 -8.569 9.075 -7.979 289 H TRP 36 H TRP 36 -7.082 7.119 -6.423 290 HA TRP 36 HA TRP 36 -6.870 5.804 -3.918 291 HB2 TRP 36 2HB TRP 36 -4.981 5.533 -5.192 292 HB3 TRP 36 1HB TRP 36 -4.943 7.202 -5.692 293 HD1 TRP 36 HD TRP 36 -3.207 8.689 -4.485 294 HE1 TRP 36 1HE TRP 36 -1.750 8.446 -2.379 295 HE3 TRP 36 3HE TRP 36 -5.139 4.298 -2.658 296 HZ2 TRP 36 2HZ TRP 36 -1.472 6.646 -0.225 297 HZ3 TRP 36 3HZ TRP 36 -4.202 3.394 -0.571 298 HH2 TRP 36 HH TRP 36 -2.403 4.543 0.609 299 H ASP 37 H ASP 37 -7.618 8.990 -4.810 300 HA ASP 37 HA ASP 37 -6.735 10.512 -2.643 301 HB2 ASP 37 2HB ASP 37 -7.717 11.478 -4.666 302 HB3 ASP 37 1HB ASP 37 -9.276 10.769 -4.264 303 H LEU 38 H LEU 38 -9.941 8.941 -3.038 304 HA LEU 38 HA LEU 38 -10.752 9.517 -0.375 305 HB2 LEU 38 2HB LEU 38 -12.555 7.844 -0.798 306 HB3 LEU 38 1HB LEU 38 -12.461 9.111 -2.002 307 HG LEU 38 HG LEU 38 -10.877 6.899 -2.890 308 HD11 LEU 38 1HD1 LEU 38 -12.210 5.442 -1.506 309 HD12 LEU 38 2HD1 LEU 38 -12.691 5.240 -3.194 310 HD13 LEU 38 3HD1 LEU 38 -13.699 6.184 -2.096 311 HD21 LEU 38 3HD2 LEU 38 -13.468 8.066 -3.880 312 HD22 LEU 38 1HD2 LEU 38 -12.405 6.992 -4.791 313 HD23 LEU 38 2HD2 LEU 38 -11.845 8.596 -4.317 314 H ALA 39 H ALA 39 -8.992 6.953 -1.890 315 HA ALA 39 HA ALA 39 -9.283 4.944 0.071 316 HB1 ALA 39 1HB ALA 39 -8.498 4.541 -2.235 317 HB2 ALA 39 2HB ALA 39 -7.396 3.890 -1.013 318 HB3 ALA 39 3HB ALA 39 -6.997 5.396 -1.841 319 H SER 40 H SER 40 -6.716 7.287 -0.587 320 HA SER 40 HA SER 40 -5.109 6.446 1.565 321 HB2 SER 40 2HB SER 40 -3.880 8.561 1.152 322 HB3 SER 40 1HB SER 40 -4.114 7.591 -0.292 323 HG SER 40 HG SER 40 -5.694 8.988 -0.970 324 H LYS 41 H LYS 41 -7.601 8.890 1.222 325 HA LYS 41 HA LYS 41 -7.085 10.307 3.575 326 HB2 LYS 41 2HB LYS 41 -8.633 11.024 1.736 327 HB3 LYS 41 1HB LYS 41 -9.805 9.866 2.344 328 HG2 LYS 41 2HG LYS 41 -9.758 11.034 4.525 329 HG3 LYS 41 1HG LYS 41 -8.702 12.248 3.806 330 HD2 LYS 41 2HD LYS 41 -11.558 11.616 3.107 331 HD3 LYS 41 1HD LYS 41 -10.897 13.129 3.727 332 HE2 LYS 41 2HE LYS 41 -9.563 13.296 1.607 333 HE3 LYS 41 1HE LYS 41 -10.475 11.918 1.000 334 HZ1 LYS 41 3HZ LYS 41 -11.597 14.548 1.809 335 HZ2 LYS 41 1HZ LYS 41 -12.521 13.207 1.332 336 HZ3 LYS 41 2HZ LYS 41 -11.472 13.948 0.228 337 H GLU 42 H GLU 42 -9.195 7.460 3.027 338 HA GLU 42 HA GLU 42 -9.883 7.384 5.842 339 HB2 GLU 42 2HB GLU 42 -11.497 6.746 4.041 340 HB3 GLU 42 1HB GLU 42 -10.498 5.341 3.701 341 HG2 GLU 42 2HG GLU 42 -10.953 4.396 5.835 342 HG3 GLU 42 1HG GLU 42 -11.731 5.875 6.392 343 H LEU 43 H LEU 43 -7.469 6.102 3.823 344 HA LEU 43 HA LEU 43 -6.825 3.741 5.288 345 HB2 LEU 43 2HB LEU 43 -6.203 4.791 2.829 346 HB3 LEU 43 1HB LEU 43 -4.707 5.023 3.708 347 HG LEU 43 HG LEU 43 -4.561 2.977 2.482 348 HD11 LEU 43 1HD1 LEU 43 -4.246 1.338 4.296 349 HD12 LEU 43 2HD1 LEU 43 -5.060 2.449 5.399 350 HD13 LEU 43 3HD1 LEU 43 -3.532 2.912 4.652 351 HD21 LEU 43 3HD2 LEU 43 -6.168 1.177 2.749 352 HD22 LEU 43 1HD2 LEU 43 -6.956 2.647 2.176 353 HD23 LEU 43 2HD2 LEU 43 -7.108 2.167 3.866 354 H GLY 44 H GLY 44 -6.337 7.023 5.969 355 HA2 GLY 44 2HA GLY 44 -3.602 7.083 6.581 356 HA3 GLY 44 1HA GLY 44 -4.774 8.250 7.136 357 H GLU 45 H GLU 45 -6.169 5.817 8.556 358 HA GLU 45 HA GLU 45 -4.739 6.147 10.959 359 HB2 GLU 45 2HB GLU 45 -7.146 5.905 11.072 360 HB3 GLU 45 1HB GLU 45 -7.037 4.300 10.355 361 HG2 GLU 45 2HG GLU 45 -6.196 3.349 12.268 362 HG3 GLU 45 1HG GLU 45 -5.544 4.873 12.867 363 H SER 46 H SER 46 -4.750 3.790 8.416 364 HA SER 46 HA SER 46 -3.304 1.850 10.011 365 HB2 SER 46 2HB SER 46 -4.022 1.849 7.072 366 HB3 SER 46 1HB SER 46 -3.328 0.499 7.966 367 HG SER 46 HG SER 46 -5.917 1.500 7.978 368 H LEU 47 H LEU 47 -1.272 2.293 10.435 369 HA LEU 47 HA LEU 47 0.109 4.384 9.213 370 HB2 LEU 47 2HB LEU 47 1.353 2.212 10.879 371 HB3 LEU 47 1HB LEU 47 1.980 3.823 10.609 372 HG LEU 47 HG LEU 47 1.139 4.031 12.723 373 HD11 LEU 47 1HD1 LEU 47 -0.944 5.264 12.656 374 HD12 LEU 47 2HD1 LEU 47 -1.285 4.617 11.048 375 HD13 LEU 47 3HD1 LEU 47 0.084 5.706 11.290 376 HD21 LEU 47 3HD2 LEU 47 0.289 1.804 12.940 377 HD22 LEU 47 1HD2 LEU 47 -1.085 2.184 11.905 378 HD23 LEU 47 2HD2 LEU 47 -0.939 2.942 13.491 379 H GLU 48 H GLU 48 -0.210 1.268 7.826 380 HA GLU 48 HA GLU 48 2.552 1.085 7.043 381 HB2 GLU 48 2HB GLU 48 0.576 -0.776 7.043 382 HB3 GLU 48 1HB GLU 48 0.462 -0.239 5.387 383 HG2 GLU 48 2HG GLU 48 1.908 -2.223 5.748 384 HG3 GLU 48 1HG GLU 48 2.663 -0.876 4.920 385 H TYR 49 H TYR 49 -0.265 2.742 6.050 386 HA TYR 49 HA TYR 49 0.833 3.381 3.432 387 HB2 TYR 49 2HB TYR 49 -1.377 3.561 3.073 388 HB3 TYR 49 1HB TYR 49 -1.725 3.604 4.789 389 HD1 TYR 49 1HD TYR 49 -0.861 5.662 1.861 390 HD2 TYR 49 2HD TYR 49 -2.270 5.655 5.875 391 HE1 TYR 49 1HE TYR 49 -1.527 8.021 1.624 392 HE2 TYR 49 2HE TYR 49 -2.935 8.014 5.672 393 HH TYR 49 HH TYR 49 -3.378 9.586 2.947 394 H LYS 50 H LYS 50 0.942 4.506 6.647 395 HA LYS 50 HA LYS 50 2.067 7.055 5.845 396 HB2 LYS 50 2HB LYS 50 0.625 6.302 8.024 397 HB3 LYS 50 1HB LYS 50 2.263 6.188 8.656 398 HG2 LYS 50 2HG LYS 50 2.709 8.461 8.229 399 HG3 LYS 50 1HG LYS 50 1.271 8.627 7.219 400 HD2 LYS 50 2HD LYS 50 1.356 8.216 10.206 401 HD3 LYS 50 1HD LYS 50 0.830 9.657 9.333 402 HE2 LYS 50 2HE LYS 50 -0.893 8.090 8.231 403 HE3 LYS 50 1HE LYS 50 -0.520 6.996 9.562 404 HZ1 LYS 50 3HZ LYS 50 -2.401 8.309 10.158 405 HZ2 LYS 50 1HZ LYS 50 -1.603 9.751 9.775 406 HZ3 LYS 50 2HZ LYS 50 -1.097 8.834 11.110 407 H ALA 51 H ALA 51 3.011 3.871 6.231 408 HA ALA 51 HA ALA 51 5.759 4.453 7.022 409 HB1 ALA 51 1HB ALA 51 4.742 2.415 7.856 410 HB2 ALA 51 2HB ALA 51 6.050 2.004 6.748 411 HB3 ALA 51 3HB ALA 51 4.372 1.893 6.212 412 H LEU 52 H LEU 52 3.984 4.897 4.428 413 HA LEU 52 HA LEU 52 6.007 4.139 2.446 414 HB2 LEU 52 2HB LEU 52 4.177 2.445 2.688 415 HB3 LEU 52 1HB LEU 52 3.021 3.685 2.243 416 HG LEU 52 HG LEU 52 4.019 3.840 0.046 417 HD11 LEU 52 1HD1 LEU 52 5.695 2.099 -0.613 418 HD12 LEU 52 2HD1 LEU 52 5.900 1.758 1.111 419 HD13 LEU 52 3HD1 LEU 52 6.303 3.354 0.468 420 HD21 LEU 52 3HD2 LEU 52 3.359 1.027 0.881 421 HD22 LEU 52 1HD2 LEU 52 3.418 1.595 -0.791 422 HD23 LEU 52 2HD2 LEU 52 2.223 2.259 0.329 423 H GLY 53 H GLY 53 5.318 6.610 3.776 424 HA2 GLY 53 2HA GLY 53 3.579 8.197 2.193 425 HA3 GLY 53 1HA GLY 53 4.683 8.782 3.423 426 H ASP 54 H ASP 54 7.137 7.932 2.267 427 HA ASP 54 HA ASP 54 7.447 10.184 0.494 428 HB2 ASP 54 2HB ASP 54 9.167 9.684 2.183 429 HB3 ASP 54 1HB ASP 54 9.477 8.129 1.417 430 H GLU 55 H GLU 55 7.363 6.742 0.330 431 HA GLU 55 HA GLU 55 7.935 6.582 -2.506 432 HB2 GLU 55 2HB GLU 55 6.730 4.516 -0.647 433 HB3 GLU 55 1HB GLU 55 7.438 4.218 -2.226 434 HG2 GLU 55 2HG GLU 55 8.999 3.482 -0.621 435 HG3 GLU 55 1HG GLU 55 9.640 4.983 -1.277 436 H ASP 56 H ASP 56 6.034 8.442 -2.220 437 HA ASP 56 HA ASP 56 3.422 7.635 -1.707 438 HB2 ASP 56 2HB ASP 56 2.784 9.793 -2.184 439 HB3 ASP 56 1HB ASP 56 4.501 10.040 -1.926 440 H ASN 57 H ASN 57 5.198 7.848 -4.770 441 HA ASN 57 HA ASN 57 2.806 7.429 -6.324 442 HB2 ASN 57 2HB ASN 57 4.728 7.071 -8.153 443 HB3 ASN 57 1HB ASN 57 4.259 8.674 -7.595 444 HD21 ASN 57 1HD2 ASN 57 6.085 6.416 -5.665 445 HD22 ASN 57 2HD2 ASN 57 7.532 7.331 -5.625 446 H ILE 58 H ILE 58 5.306 5.460 -4.942 447 HA ILE 58 HA ILE 58 4.737 3.108 -6.408 448 HB ILE 58 HB ILE 58 6.081 3.691 -3.791 449 HG12 ILE 58 2HG1 ILE 58 7.943 2.436 -4.883 450 HG13 ILE 58 1HG1 ILE 58 6.934 2.276 -6.311 451 HG21 ILE 58 1HG2 ILE 58 5.370 0.923 -4.747 452 HG22 ILE 58 2HG2 ILE 58 4.764 1.721 -3.295 453 HG23 ILE 58 3HG2 ILE 58 6.471 1.294 -3.422 454 HD11 ILE 58 3HD1 ILE 58 7.871 4.875 -5.127 455 HD12 ILE 58 1HD1 ILE 58 6.917 4.674 -6.597 456 HD13 ILE 58 2HD1 ILE 58 8.571 4.064 -6.530 457 H ARG 59 H ARG 59 3.807 4.385 -3.286 458 HA ARG 59 HA ARG 59 2.111 2.431 -2.377 459 HB2 ARG 59 2HB ARG 59 2.778 4.064 -0.875 460 HB3 ARG 59 1HB ARG 59 2.314 5.383 -1.933 461 HG2 ARG 59 2HG ARG 59 -0.018 4.942 -1.495 462 HG3 ARG 59 1HG ARG 59 0.403 3.548 -0.510 463 HD2 ARG 59 2HD ARG 59 -0.134 5.798 0.622 464 HD3 ARG 59 1HD ARG 59 1.235 4.859 1.176 465 HE ARG 59 HE ARG 59 2.698 6.398 0.064 466 HH11 ARG 59 1HH1 ARG 59 -0.664 7.317 0.012 467 HH12 ARG 59 2HH1 ARG 59 -0.354 9.016 -0.121 468 HH21 ARG 59 1HH2 ARG 59 3.142 8.651 -0.101 469 HH22 ARG 59 2HH2 ARG 59 1.823 9.775 -0.183 470 H ARG 60 H ARG 60 1.176 5.329 -4.277 471 HA ARG 60 HA ARG 60 -1.582 4.700 -4.313 472 HB2 ARG 60 2HB ARG 60 -1.484 6.313 -6.370 473 HB3 ARG 60 1HB ARG 60 -1.168 6.935 -4.756 474 HG2 ARG 60 2HG ARG 60 1.180 6.895 -5.126 475 HG3 ARG 60 1HG ARG 60 0.987 6.057 -6.646 476 HD2 ARG 60 2HD ARG 60 0.829 8.894 -6.027 477 HD3 ARG 60 1HD ARG 60 1.143 8.094 -7.564 478 HE ARG 60 HE ARG 60 -1.288 7.853 -7.788 479 HH11 ARG 60 1HH1 ARG 60 -0.015 10.239 -5.568 480 HH12 ARG 60 2HH1 ARG 60 -1.458 11.208 -5.593 481 HH21 ARG 60 1HH2 ARG 60 -3.142 9.080 -7.839 482 HH22 ARG 60 2HH2 ARG 60 -3.250 10.520 -6.885 483 H GLN 61 H GLN 61 1.072 4.000 -6.566 484 HA GLN 61 HA GLN 61 -0.636 3.064 -8.627 485 HB2 GLN 61 2HB GLN 61 2.326 2.770 -8.154 486 HB3 GLN 61 1HB GLN 61 1.517 2.006 -9.522 487 HG2 GLN 61 2HG GLN 61 1.818 4.927 -8.919 488 HG3 GLN 61 1HG GLN 61 2.295 4.040 -10.368 489 HE21 GLN 61 1HE2 GLN 61 -0.198 2.538 -10.455 490 HE22 GLN 61 2HE2 GLN 61 -1.429 3.629 -10.950 491 H ILE 62 H ILE 62 1.183 1.290 -6.056 492 HA ILE 62 HA ILE 62 0.388 -1.270 -6.977 493 HB ILE 62 HB ILE 62 0.417 -1.203 -4.076 494 HG12 ILE 62 2HG1 ILE 62 3.094 -0.609 -5.223 495 HG13 ILE 62 1HG1 ILE 62 2.017 0.732 -4.870 496 HG21 ILE 62 1HG2 ILE 62 2.108 -2.934 -4.430 497 HG22 ILE 62 2HG2 ILE 62 2.129 -2.543 -6.149 498 HG23 ILE 62 3HG2 ILE 62 0.665 -3.201 -5.411 499 HD11 ILE 62 3HD1 ILE 62 1.835 -0.024 -2.552 500 HD12 ILE 62 1HD1 ILE 62 3.504 0.319 -3.007 501 HD13 ILE 62 2HD1 ILE 62 2.941 -1.351 -2.912 502 H PHE 63 H PHE 63 -1.099 1.036 -4.755 503 HA PHE 63 HA PHE 63 -3.133 -0.469 -3.724 504 HB2 PHE 63 2HB PHE 63 -3.101 1.582 -2.763 505 HB3 PHE 63 1HB PHE 63 -2.789 2.392 -4.285 506 HD1 PHE 63 2HD PHE 63 -5.468 0.527 -2.507 507 HD2 PHE 63 1HD PHE 63 -4.485 3.591 -5.315 508 HE1 PHE 63 2HE PHE 63 -7.852 1.124 -2.689 509 HE2 PHE 63 1HE PHE 63 -6.857 4.182 -5.503 510 HZ PHE 63 HZ PHE 63 -8.540 2.965 -4.174 511 H GLU 64 H GLU 64 -3.309 1.450 -6.701 512 HA GLU 64 HA GLU 64 -5.920 0.517 -7.347 513 HB2 GLU 64 2HB GLU 64 -5.170 2.640 -8.202 514 HB3 GLU 64 1HB GLU 64 -3.800 1.890 -9.006 515 HG2 GLU 64 2HG GLU 64 -5.542 2.494 -10.588 516 HG3 GLU 64 1HG GLU 64 -5.297 0.753 -10.534 517 H ASP 65 H ASP 65 -2.693 -0.615 -8.038 518 HA ASP 65 HA ASP 65 -3.498 -2.355 -10.190 519 HB2 ASP 65 2HB ASP 65 -1.242 -1.221 -9.966 520 HB3 ASP 65 1HB ASP 65 -0.873 -2.384 -8.698 521 H PHE 66 H PHE 66 -3.780 -2.577 -6.868 522 HA PHE 66 HA PHE 66 -2.895 -5.142 -6.238 523 HB2 PHE 66 2HB PHE 66 -4.982 -3.327 -5.086 524 HB3 PHE 66 1HB PHE 66 -4.703 -4.917 -4.412 525 HD1 PHE 66 1HD PHE 66 -1.573 -4.635 -4.974 526 HD2 PHE 66 2HD PHE 66 -4.525 -2.316 -2.976 527 HE1 PHE 66 1HE PHE 66 0.147 -3.746 -3.457 528 HE2 PHE 66 2HE PHE 66 -2.820 -1.421 -1.455 529 HZ PHE 66 HZ PHE 66 -0.472 -2.133 -1.699 530 H LYS 67 H LYS 67 -6.161 -4.068 -6.821 531 HA LYS 67 HA LYS 67 -8.008 -5.003 -7.648 532 HB2 LYS 67 2HB LYS 67 -6.056 -6.816 -9.071 533 HB3 LYS 67 1HB LYS 67 -7.749 -6.601 -9.499 534 HG2 LYS 67 2HG LYS 67 -5.488 -4.649 -9.760 535 HG3 LYS 67 1HG LYS 67 -6.607 -5.227 -10.997 536 HD2 LYS 67 2HD LYS 67 -8.319 -4.112 -9.226 537 HD3 LYS 67 1HD LYS 67 -6.916 -3.082 -9.009 538 HE2 LYS 67 2HE LYS 67 -7.799 -3.681 -11.787 539 HE3 LYS 67 1HE LYS 67 -8.736 -2.528 -10.837 540 HZ1 LYS 67 3HZ LYS 67 -5.804 -2.293 -11.133 541 HZ2 LYS 67 1HZ LYS 67 -6.905 -1.110 -10.619 542 HZ3 LYS 67 2HZ LYS 67 -6.870 -1.598 -12.250 543 HA PRO 68 HA PRO 68 -8.675 -8.096 -4.401 544 HB2 PRO 68 2HB PRO 68 -11.428 -7.721 -4.705 545 HB3 PRO 68 1HB PRO 68 -10.398 -6.983 -3.494 546 HG2 PRO 68 2HG PRO 68 -11.443 -5.881 -6.036 547 HG3 PRO 68 1HG PRO 68 -11.025 -5.029 -4.556 548 HD2 PRO 68 2HD PRO 68 -9.537 -4.908 -6.726 549 HD3 PRO 68 1HD PRO 68 -8.844 -4.811 -5.112 550 H GLU 69 H GLU 69 -11.008 -9.331 -4.366 551 HA GLU 69 HA GLU 69 -11.967 -11.297 -4.903 552 HB2 GLU 69 2HB GLU 69 -11.685 -10.251 -7.721 553 HB3 GLU 69 1HB GLU 69 -12.698 -11.605 -7.240 554 HG2 GLU 69 2HG GLU 69 -13.930 -10.048 -5.731 555 HG3 GLU 69 1HG GLU 69 -13.010 -8.724 -6.443 Start of MODEL 7 1 H ASN 5 H ASN 5 18.350 -3.230 -1.086 2 HA ASN 5 HA ASN 5 17.972 -4.619 1.400 3 HB2 ASN 5 2HB ASN 5 19.838 -3.138 1.997 4 HB3 ASN 5 1HB ASN 5 18.887 -1.747 1.484 5 HD21 ASN 5 1HD2 ASN 5 17.745 -4.584 3.200 6 HD22 ASN 5 2HD2 ASN 5 17.302 -3.760 4.652 7 H GLU 6 H GLU 6 17.498 -1.497 -0.001 8 HA GLU 6 HA GLU 6 14.925 -0.891 0.729 9 HB2 GLU 6 2HB GLU 6 15.191 0.184 -1.781 10 HB3 GLU 6 1HB GLU 6 15.831 0.895 -0.301 11 HG2 GLU 6 2HG GLU 6 17.647 0.844 -1.786 12 HG3 GLU 6 1HG GLU 6 17.908 -0.489 -0.695 13 H ARG 7 H ARG 7 16.017 -2.787 -2.087 14 HA ARG 7 HA ARG 7 13.518 -3.196 -3.279 15 HB2 ARG 7 2HB ARG 7 16.023 -4.862 -3.217 16 HB3 ARG 7 1HB ARG 7 14.594 -5.379 -4.099 17 HG2 ARG 7 2HG ARG 7 16.101 -2.818 -4.564 18 HG3 ARG 7 1HG ARG 7 16.231 -4.279 -5.540 19 HD2 ARG 7 2HD ARG 7 13.683 -4.045 -5.841 20 HD3 ARG 7 1HD ARG 7 13.910 -2.396 -5.262 21 HE ARG 7 HE ARG 7 15.691 -3.106 -7.406 22 HH11 ARG 7 1HH1 ARG 7 12.515 -1.805 -6.630 23 HH12 ARG 7 2HH1 ARG 7 12.294 -1.102 -8.204 24 HH21 ARG 7 1HH2 ARG 7 15.375 -2.160 -9.458 25 HH22 ARG 7 2HH2 ARG 7 13.903 -1.307 -9.796 26 H ARG 8 H ARG 8 15.214 -5.105 -0.818 27 HA ARG 8 HA ARG 8 13.186 -7.055 -0.536 28 HB2 ARG 8 2HB ARG 8 15.646 -7.130 0.261 29 HB3 ARG 8 1HB ARG 8 15.059 -6.266 1.675 30 HG2 ARG 8 2HG ARG 8 13.594 -8.051 2.258 31 HG3 ARG 8 1HG ARG 8 13.933 -8.891 0.744 32 HD2 ARG 8 2HD ARG 8 16.298 -9.091 1.438 33 HD3 ARG 8 1HD ARG 8 15.873 -8.366 2.989 34 HE ARG 8 HE ARG 8 14.284 -10.672 2.323 35 HH11 ARG 8 1HH1 ARG 8 17.268 -9.546 3.770 36 HH12 ARG 8 2HH1 ARG 8 17.497 -10.972 4.740 37 HH21 ARG 8 1HH2 ARG 8 14.576 -12.555 3.570 38 HH22 ARG 8 2HH2 ARG 8 15.960 -12.706 4.611 39 H ILE 9 H ILE 9 13.883 -4.011 1.158 40 HA ILE 9 HA ILE 9 11.840 -4.041 3.054 41 HB ILE 9 HB ILE 9 13.013 -1.784 1.437 42 HG12 ILE 9 2HG1 ILE 9 13.447 -2.561 4.319 43 HG13 ILE 9 1HG1 ILE 9 14.553 -2.887 2.983 44 HG21 ILE 9 1HG2 ILE 9 11.097 -1.607 3.765 45 HG22 ILE 9 2HG2 ILE 9 10.812 -1.068 2.111 46 HG23 ILE 9 3HG2 ILE 9 12.008 -0.245 3.112 47 HD11 ILE 9 3HD1 ILE 9 13.717 -0.178 3.988 48 HD12 ILE 9 1HD1 ILE 9 14.748 -0.475 2.589 49 HD13 ILE 9 2HD1 ILE 9 15.293 -0.945 4.202 50 H LEU 10 H LEU 10 11.827 -3.077 -0.344 51 HA LEU 10 HA LEU 10 9.314 -1.801 -0.258 52 HB2 LEU 10 2HB LEU 10 11.532 -1.676 -1.741 53 HB3 LEU 10 1HB LEU 10 10.569 -2.703 -2.762 54 HG LEU 10 HG LEU 10 10.357 -0.406 -3.473 55 HD11 LEU 10 1HD1 LEU 10 7.972 -0.177 -3.461 56 HD12 LEU 10 2HD1 LEU 10 7.854 -1.273 -2.076 57 HD13 LEU 10 3HD1 LEU 10 8.416 -1.878 -3.636 58 HD21 LEU 10 3HD2 LEU 10 9.448 0.110 -0.649 59 HD22 LEU 10 1HD2 LEU 10 9.341 1.277 -1.971 60 HD23 LEU 10 2HD2 LEU 10 10.916 0.715 -1.414 61 H GLU 11 H GLU 11 10.410 -5.054 -1.169 62 HA GLU 11 HA GLU 11 7.869 -5.724 -2.325 63 HB2 GLU 11 2HB GLU 11 8.679 -8.036 -2.361 64 HB3 GLU 11 1HB GLU 11 9.889 -6.940 -3.007 65 HG2 GLU 11 2HG GLU 11 11.228 -7.120 -1.074 66 HG3 GLU 11 1HG GLU 11 9.939 -7.908 -0.167 67 H GLN 12 H GLN 12 9.401 -6.125 0.841 68 HA GLN 12 HA GLN 12 7.314 -7.597 2.034 69 HB2 GLN 12 2HB GLN 12 9.265 -5.644 3.266 70 HB3 GLN 12 1HB GLN 12 8.191 -6.684 4.188 71 HG2 GLN 12 2HG GLN 12 10.425 -7.547 2.370 72 HG3 GLN 12 1HG GLN 12 10.388 -7.649 4.128 73 HE21 GLN 12 1HE2 GLN 12 9.311 -9.034 1.150 74 HE22 GLN 12 2HE2 GLN 12 8.628 -10.476 1.820 75 H LYS 13 H LYS 13 7.952 -4.144 1.735 76 HA LYS 13 HA LYS 13 5.625 -3.259 3.061 77 HB2 LYS 13 2HB LYS 13 7.471 -1.957 1.065 78 HB3 LYS 13 1HB LYS 13 6.057 -1.122 1.696 79 HG2 LYS 13 2HG LYS 13 8.392 -2.169 3.284 80 HG3 LYS 13 1HG LYS 13 7.991 -0.477 2.972 81 HD2 LYS 13 2HD LYS 13 5.852 -0.819 4.176 82 HD3 LYS 13 1HD LYS 13 6.367 -2.459 4.562 83 HE2 LYS 13 2HE LYS 13 8.285 -1.561 5.794 84 HE3 LYS 13 1HE LYS 13 7.762 0.081 5.406 85 HZ1 LYS 13 3HZ LYS 13 6.342 -1.908 7.082 86 HZ2 LYS 13 1HZ LYS 13 5.622 -0.479 6.533 87 HZ3 LYS 13 2HZ LYS 13 6.966 -0.415 7.570 88 H LYS 14 H LYS 14 6.331 -3.816 -0.380 89 HA LYS 14 HA LYS 14 3.909 -3.096 -1.482 90 HB2 LYS 14 2HB LYS 14 6.136 -4.099 -2.521 91 HB3 LYS 14 1HB LYS 14 5.235 -5.603 -2.435 92 HG2 LYS 14 2HG LYS 14 3.614 -4.892 -3.923 93 HG3 LYS 14 1HG LYS 14 4.020 -3.194 -3.704 94 HD2 LYS 14 2HD LYS 14 6.119 -4.970 -4.833 95 HD3 LYS 14 1HD LYS 14 4.740 -4.585 -5.860 96 HE2 LYS 14 2HE LYS 14 5.192 -2.149 -5.344 97 HE3 LYS 14 1HE LYS 14 6.706 -2.668 -4.609 98 HZ1 LYS 14 3HZ LYS 14 5.896 -2.737 -7.443 99 HZ2 LYS 14 1HZ LYS 14 7.059 -3.839 -6.877 100 HZ3 LYS 14 2HZ LYS 14 7.340 -2.172 -6.747 101 H HIS 15 H HIS 15 4.768 -6.310 -0.147 102 HA HIS 15 HA HIS 15 2.183 -7.396 -0.632 103 HB2 HIS 15 2HB HIS 15 4.157 -8.850 -0.405 104 HB3 HIS 15 1HB HIS 15 4.301 -8.392 1.288 105 HD1 HIS 15 1HD HIS 15 3.970 -10.872 2.028 106 HD2 HIS 15 2HD HIS 15 0.750 -9.277 -0.067 107 HE1 HIS 15 1HE HIS 15 2.058 -12.455 2.407 108 HE2 HIS 15 2HE HIS 15 0.210 -11.605 0.917 109 H TYR 16 H TYR 16 3.691 -6.078 2.350 110 HA TYR 16 HA TYR 16 1.372 -6.762 3.880 111 HB2 TYR 16 2HB TYR 16 3.614 -6.571 4.941 112 HB3 TYR 16 1HB TYR 16 3.551 -4.824 4.686 113 HD1 TYR 16 1HD TYR 16 1.330 -7.496 6.034 114 HD2 TYR 16 2HD TYR 16 2.868 -3.565 6.515 115 HE1 TYR 16 1HE TYR 16 -0.008 -7.238 8.083 116 HE2 TYR 16 2HE TYR 16 1.557 -3.293 8.576 117 HH TYR 16 HH TYR 16 0.123 -5.812 10.213 118 H PHE 17 H PHE 17 2.234 -4.008 1.931 119 HA PHE 17 HA PHE 17 0.277 -2.265 3.124 120 HB2 PHE 17 2HB PHE 17 2.249 -1.424 1.830 121 HB3 PHE 17 1HB PHE 17 1.486 -2.056 0.381 122 HD1 PHE 17 2HD PHE 17 0.563 0.032 3.296 123 HD2 PHE 17 1HD PHE 17 0.310 -0.571 -0.908 124 HE1 PHE 17 2HE PHE 17 -0.729 2.129 3.085 125 HE2 PHE 17 1HE PHE 17 -0.991 1.494 -1.128 126 HZ PHE 17 HZ PHE 17 -1.512 2.849 0.863 127 H TRP 18 H TRP 18 0.410 -4.658 0.614 128 HA TRP 18 HA TRP 18 -2.226 -4.160 -0.462 129 HB2 TRP 18 2HB TRP 18 -0.315 -5.301 -1.662 130 HB3 TRP 18 1HB TRP 18 -0.526 -6.663 -0.584 131 HD1 TRP 18 HD TRP 18 -0.666 -7.886 -3.017 132 HE1 TRP 18 1HE TRP 18 -2.697 -8.478 -4.455 133 HE3 TRP 18 3HE TRP 18 -4.144 -4.629 -1.018 134 HZ2 TRP 18 2HZ TRP 18 -5.359 -7.746 -4.710 135 HZ3 TRP 18 3HZ TRP 18 -6.436 -4.669 -2.005 136 HH2 TRP 18 HH TRP 18 -7.005 -6.193 -3.783 137 H LEU 19 H LEU 19 -0.720 -6.077 2.005 138 HA LEU 19 HA LEU 19 -3.018 -7.630 2.724 139 HB2 LEU 19 2HB LEU 19 -0.426 -7.960 3.211 140 HB3 LEU 19 1HB LEU 19 -0.778 -6.982 4.616 141 HG LEU 19 HG LEU 19 -2.325 -9.496 4.055 142 HD11 LEU 19 1HD1 LEU 19 -0.693 -10.505 5.744 143 HD12 LEU 19 2HD1 LEU 19 0.376 -9.165 5.314 144 HD13 LEU 19 3HD1 LEU 19 -0.137 -10.318 4.082 145 HD21 LEU 19 3HD2 LEU 19 -3.259 -7.999 5.712 146 HD22 LEU 19 1HD2 LEU 19 -1.705 -7.927 6.559 147 HD23 LEU 19 2HD2 LEU 19 -2.615 -9.442 6.496 148 H LEU 20 H LEU 20 -1.561 -4.616 3.565 149 HA LEU 20 HA LEU 20 -3.268 -3.884 5.723 150 HB2 LEU 20 2HB LEU 20 -0.952 -2.968 4.948 151 HB3 LEU 20 1HB LEU 20 -1.886 -1.957 3.864 152 HG LEU 20 HG LEU 20 -1.293 -0.663 5.772 153 HD11 LEU 20 1HD1 LEU 20 -4.172 -1.494 5.784 154 HD12 LEU 20 2HD1 LEU 20 -3.423 -0.083 5.031 155 HD13 LEU 20 3HD1 LEU 20 -3.537 -0.189 6.788 156 HD21 LEU 20 3HD2 LEU 20 -2.571 -2.812 7.506 157 HD22 LEU 20 1HD2 LEU 20 -1.809 -1.311 8.057 158 HD23 LEU 20 2HD2 LEU 20 -0.831 -2.558 7.289 159 H LEU 21 H LEU 21 -3.181 -3.048 2.263 160 HA LEU 21 HA LEU 21 -5.435 -1.355 2.302 161 HB2 LEU 21 2HB LEU 21 -3.407 -1.461 0.755 162 HB3 LEU 21 1HB LEU 21 -4.188 -2.780 -0.045 163 HG LEU 21 HG LEU 21 -4.749 -1.077 -1.465 164 HD11 LEU 21 1HD1 LEU 21 -6.899 -1.857 -0.849 165 HD12 LEU 21 2HD1 LEU 21 -6.981 -0.096 -0.958 166 HD13 LEU 21 3HD1 LEU 21 -6.901 -0.881 0.622 167 HD21 LEU 21 3HD2 LEU 21 -3.487 0.554 -0.281 168 HD22 LEU 21 1HD2 LEU 21 -4.779 0.762 0.905 169 HD23 LEU 21 2HD2 LEU 21 -5.038 1.242 -0.774 170 H GLN 22 H GLN 22 -4.952 -4.820 1.734 171 HA GLN 22 HA GLN 22 -7.655 -5.215 0.798 172 HB2 GLN 22 2HB GLN 22 -5.717 -6.672 0.138 173 HB3 GLN 22 1HB GLN 22 -5.719 -7.319 1.772 174 HG2 GLN 22 2HG GLN 22 -7.995 -8.136 1.449 175 HG3 GLN 22 1HG GLN 22 -7.992 -7.490 -0.193 176 HE21 GLN 22 1HE2 GLN 22 -5.143 -8.245 -0.535 177 HE22 GLN 22 2HE2 GLN 22 -5.161 -9.949 -0.809 178 H ARG 23 H ARG 23 -5.912 -5.646 3.839 179 HA ARG 23 HA ARG 23 -7.920 -6.820 5.379 180 HB2 ARG 23 2HB ARG 23 -5.699 -6.555 6.267 181 HB3 ARG 23 1HB ARG 23 -5.786 -4.808 6.110 182 HG2 ARG 23 2HG ARG 23 -7.923 -5.521 7.754 183 HG3 ARG 23 1HG ARG 23 -6.561 -6.488 8.301 184 HD2 ARG 23 2HD ARG 23 -6.778 -3.500 8.080 185 HD3 ARG 23 1HD ARG 23 -6.451 -4.476 9.515 186 HE ARG 23 HE ARG 23 -4.568 -4.072 7.291 187 HH11 ARG 23 1HH1 ARG 23 -5.215 -4.659 10.678 188 HH12 ARG 23 2HH1 ARG 23 -3.540 -4.852 11.077 189 HH21 ARG 23 1HH2 ARG 23 -2.427 -4.338 7.787 190 HH22 ARG 23 2HH2 ARG 23 -1.955 -4.625 9.406 191 H THR 24 H THR 24 -7.255 -3.420 4.708 192 HA THR 24 HA THR 24 -9.594 -2.492 6.048 193 HB THR 24 HB THR 24 -8.010 -1.019 3.940 194 HG1 THR 24 1HG THR 24 -6.425 -1.250 5.347 195 HG21 THR 24 3HG2 THR 24 -8.745 0.956 5.239 196 HG22 THR 24 1HG2 THR 24 -9.703 -0.111 6.269 197 HG23 THR 24 2HG2 THR 24 -10.101 0.050 4.551 198 H TYR 25 H TYR 25 -8.711 -2.373 2.591 199 HA TYR 25 HA TYR 25 -11.572 -2.495 1.931 200 HB2 TYR 25 2HB TYR 25 -9.308 -1.739 0.077 201 HB3 TYR 25 1HB TYR 25 -11.029 -1.482 -0.171 202 HD1 TYR 25 2HD TYR 25 -11.534 -0.413 2.713 203 HD2 TYR 25 1HD TYR 25 -8.653 0.520 -0.269 204 HE1 TYR 25 2HE TYR 25 -11.322 1.850 3.633 205 HE2 TYR 25 1HE TYR 25 -8.435 2.789 0.651 206 HH TYR 25 HH TYR 25 -9.547 4.330 1.986 207 H THR 26 H THR 26 -11.917 -4.682 1.966 208 HA THR 26 HA THR 26 -10.012 -6.542 0.875 209 HB THR 26 HB THR 26 -12.671 -7.575 1.484 210 HG1 THR 26 1HG THR 26 -11.206 -6.234 3.543 211 HG21 THR 26 3HG2 THR 26 -11.376 -9.046 2.977 212 HG22 THR 26 1HG2 THR 26 -9.930 -8.091 2.651 213 HG23 THR 26 2HG2 THR 26 -10.700 -9.000 1.349 214 H LYS 27 H LYS 27 -11.768 -8.487 -0.077 215 HA LYS 27 HA LYS 27 -12.320 -7.643 -2.754 216 HB2 LYS 27 2HB LYS 27 -13.529 -10.161 -1.856 217 HB3 LYS 27 1HB LYS 27 -12.424 -9.861 -3.187 218 HG2 LYS 27 2HG LYS 27 -10.558 -9.784 -1.551 219 HG3 LYS 27 1HG LYS 27 -11.703 -10.233 -0.290 220 HD2 LYS 27 2HD LYS 27 -12.187 -12.320 -1.411 221 HD3 LYS 27 1HD LYS 27 -11.142 -11.871 -2.760 222 HE2 LYS 27 2HE LYS 27 -9.227 -11.801 -1.181 223 HE3 LYS 27 1HE LYS 27 -10.300 -12.389 0.091 224 HZ1 LYS 27 3HZ LYS 27 -10.694 -14.384 -1.208 225 HZ2 LYS 27 1HZ LYS 27 -9.032 -14.188 -0.915 226 HZ3 LYS 27 2HZ LYS 27 -9.674 -13.814 -2.444 227 H THR 28 H THR 28 -14.078 -7.934 0.204 228 HA THR 28 HA THR 28 -16.532 -7.099 -1.127 229 HB THR 28 HB THR 28 -16.847 -9.458 -1.018 230 HG1 THR 28 1HG THR 28 -18.706 -8.395 -0.381 231 HG21 THR 28 3HG2 THR 28 -16.063 -9.308 1.891 232 HG22 THR 28 1HG2 THR 28 -15.089 -9.991 0.588 233 HG23 THR 28 2HG2 THR 28 -16.614 -10.754 1.043 234 H GLY 29 H GLY 29 -14.690 -7.441 1.868 235 HA2 GLY 29 2HA GLY 29 -16.228 -6.305 3.720 236 HA3 GLY 29 1HA GLY 29 -14.505 -6.049 3.653 237 H LYS 30 H LYS 30 -13.688 -4.153 2.727 238 HA LYS 30 HA LYS 30 -15.661 -2.087 2.063 239 HB2 LYS 30 2HB LYS 30 -12.681 -1.883 2.556 240 HB3 LYS 30 1HB LYS 30 -13.703 -0.533 2.096 241 HG2 LYS 30 2HG LYS 30 -13.844 -2.116 4.652 242 HG3 LYS 30 1HG LYS 30 -13.264 -0.462 4.457 243 HD2 LYS 30 2HD LYS 30 -15.618 0.015 3.520 244 HD3 LYS 30 1HD LYS 30 -16.064 -1.515 4.280 245 HE2 LYS 30 2HE LYS 30 -16.555 0.167 5.859 246 HE3 LYS 30 1HE LYS 30 -15.072 -0.605 6.412 247 HZ1 LYS 30 3HZ LYS 30 -15.186 1.943 4.883 248 HZ2 LYS 30 1HZ LYS 30 -13.792 1.230 5.529 249 HZ3 LYS 30 2HZ LYS 30 -14.989 1.835 6.561 250 HA PRO 31 HA PRO 31 -14.827 -2.676 -2.292 251 HB2 PRO 31 2HB PRO 31 -15.368 0.221 -2.522 252 HB3 PRO 31 1HB PRO 31 -16.197 -1.134 -3.294 253 HG2 PRO 31 2HG PRO 31 -17.344 0.268 -1.324 254 HG3 PRO 31 1HG PRO 31 -17.589 -1.483 -1.480 255 HD2 PRO 31 2HD PRO 31 -15.803 0.030 0.387 256 HD3 PRO 31 1HD PRO 31 -16.802 -1.405 0.705 257 H LYS 32 H LYS 32 -13.007 -2.390 -3.563 258 HA LYS 32 HA LYS 32 -10.866 -0.771 -2.590 259 HB2 LYS 32 2HB LYS 32 -10.381 -2.858 -3.735 260 HB3 LYS 32 1HB LYS 32 -11.177 -2.294 -5.185 261 HG2 LYS 32 2HG LYS 32 -9.340 -1.261 -5.906 262 HG3 LYS 32 1HG LYS 32 -9.047 -0.508 -4.343 263 HD2 LYS 32 2HD LYS 32 -8.382 -3.357 -5.005 264 HD3 LYS 32 1HD LYS 32 -7.232 -2.025 -5.059 265 HE2 LYS 32 2HE LYS 32 -6.896 -3.010 -2.970 266 HE3 LYS 32 1HE LYS 32 -7.868 -1.593 -2.634 267 HZ1 LYS 32 3HZ LYS 32 -8.657 -3.499 -1.389 268 HZ2 LYS 32 1HZ LYS 32 -8.866 -4.386 -2.816 269 HZ3 LYS 32 2HZ LYS 32 -9.822 -3.027 -2.521 270 HA PRO 33 HA PRO 33 -12.436 3.292 -3.619 271 HB2 PRO 33 2HB PRO 33 -9.477 3.125 -4.078 272 HB3 PRO 33 1HB PRO 33 -10.389 4.487 -3.470 273 HG2 PRO 33 2HG PRO 33 -9.214 2.776 -1.814 274 HG3 PRO 33 1HG PRO 33 -10.776 3.488 -1.445 275 HD2 PRO 33 2HD PRO 33 -10.134 0.772 -2.015 276 HD3 PRO 33 1HD PRO 33 -11.690 1.444 -1.462 277 H SER 34 H SER 34 -13.066 4.358 -5.311 278 HA SER 34 HA SER 34 -12.544 3.475 -7.989 279 HB2 SER 34 2HB SER 34 -13.799 6.112 -7.279 280 HB3 SER 34 1HB SER 34 -14.233 4.990 -8.571 281 HG SER 34 HG SER 34 -15.724 4.344 -7.218 282 H THR 35 H THR 35 -11.549 5.996 -5.822 283 HA THR 35 HA THR 35 -9.298 6.666 -7.588 284 HB THR 35 HB THR 35 -10.671 8.773 -5.926 285 HG1 THR 35 1HG THR 35 -11.064 8.612 -8.724 286 HG21 THR 35 3HG2 THR 35 -8.804 8.864 -8.297 287 HG22 THR 35 1HG2 THR 35 -8.382 9.222 -6.624 288 HG23 THR 35 2HG2 THR 35 -9.500 10.275 -7.497 289 H TRP 36 H TRP 36 -7.378 7.098 -6.497 290 HA TRP 36 HA TRP 36 -7.121 5.751 -4.029 291 HB2 TRP 36 2HB TRP 36 -5.262 5.433 -5.260 292 HB3 TRP 36 1HB TRP 36 -5.286 7.042 -5.921 293 HD1 TRP 36 HD TRP 36 -3.529 8.666 -4.990 294 HE1 TRP 36 1HE TRP 36 -1.910 8.652 -2.993 295 HE3 TRP 36 3HE TRP 36 -5.206 4.434 -2.637 296 HZ2 TRP 36 2HZ TRP 36 -1.431 7.059 -0.694 297 HZ3 TRP 36 3HZ TRP 36 -4.105 3.737 -0.552 298 HH2 TRP 36 HH TRP 36 -2.259 5.019 0.396 299 H ASP 37 H ASP 37 -7.802 9.015 -4.741 300 HA ASP 37 HA ASP 37 -6.688 10.359 -2.560 301 HB2 ASP 37 2HB ASP 37 -7.672 11.554 -4.421 302 HB3 ASP 37 1HB ASP 37 -9.257 10.878 -4.065 303 H LEU 38 H LEU 38 -9.969 8.977 -2.847 304 HA LEU 38 HA LEU 38 -10.671 9.502 -0.157 305 HB2 LEU 38 2HB LEU 38 -12.486 7.770 -0.598 306 HB3 LEU 38 1HB LEU 38 -12.474 9.190 -1.625 307 HG LEU 38 HG LEU 38 -10.918 7.094 -2.846 308 HD11 LEU 38 1HD1 LEU 38 -12.789 5.542 -3.320 309 HD12 LEU 38 2HD1 LEU 38 -13.753 6.379 -2.096 310 HD13 LEU 38 3HD1 LEU 38 -12.284 5.523 -1.627 311 HD21 LEU 38 3HD2 LEU 38 -12.419 7.518 -4.709 312 HD22 LEU 38 1HD2 LEU 38 -11.900 9.039 -3.984 313 HD23 LEU 38 2HD2 LEU 38 -13.515 8.410 -3.654 314 H ALA 39 H ALA 39 -8.971 6.935 -1.722 315 HA ALA 39 HA ALA 39 -9.260 4.914 0.241 316 HB1 ALA 39 1HB ALA 39 -8.569 4.311 -1.958 317 HB2 ALA 39 2HB ALA 39 -7.223 3.959 -0.853 318 HB3 ALA 39 3HB ALA 39 -7.173 5.402 -1.869 319 H SER 40 H SER 40 -6.644 7.171 -0.505 320 HA SER 40 HA SER 40 -5.034 6.427 1.669 321 HB2 SER 40 2HB SER 40 -3.844 8.549 1.219 322 HB3 SER 40 1HB SER 40 -4.079 7.572 -0.221 323 HG SER 40 HG SER 40 -5.682 8.946 -0.889 324 H LYS 41 H LYS 41 -7.719 8.626 1.373 325 HA LYS 41 HA LYS 41 -7.287 10.138 3.698 326 HB2 LYS 41 2HB LYS 41 -9.001 10.550 1.868 327 HB3 LYS 41 1HB LYS 41 -9.996 9.336 2.650 328 HG2 LYS 41 2HG LYS 41 -10.767 11.419 3.428 329 HG3 LYS 41 1HG LYS 41 -9.826 10.719 4.751 330 HD2 LYS 41 2HD LYS 41 -9.277 13.066 4.480 331 HD3 LYS 41 1HD LYS 41 -7.887 12.064 4.059 332 HE2 LYS 41 2HE LYS 41 -8.086 13.795 2.417 333 HE3 LYS 41 1HE LYS 41 -8.542 12.269 1.666 334 HZ1 LYS 41 3HZ LYS 41 -10.891 12.882 2.066 335 HZ2 LYS 41 1HZ LYS 41 -10.091 13.953 1.018 336 HZ3 LYS 41 2HZ LYS 41 -10.375 14.397 2.628 337 H GLU 42 H GLU 42 -9.234 7.159 3.248 338 HA GLU 42 HA GLU 42 -9.696 6.990 6.101 339 HB2 GLU 42 2HB GLU 42 -11.423 6.285 4.461 340 HB3 GLU 42 1HB GLU 42 -10.365 4.983 3.940 341 HG2 GLU 42 2HG GLU 42 -10.495 3.948 6.114 342 HG3 GLU 42 1HG GLU 42 -11.449 5.292 6.734 343 H LEU 43 H LEU 43 -7.353 5.906 3.890 344 HA LEU 43 HA LEU 43 -6.442 3.592 5.305 345 HB2 LEU 43 2HB LEU 43 -5.996 4.713 2.807 346 HB3 LEU 43 1HB LEU 43 -4.459 4.915 3.628 347 HG LEU 43 HG LEU 43 -4.349 2.876 2.420 348 HD11 LEU 43 1HD1 LEU 43 -4.120 1.194 4.224 349 HD12 LEU 43 2HD1 LEU 43 -4.881 2.341 5.329 350 HD13 LEU 43 3HD1 LEU 43 -3.332 2.732 4.585 351 HD21 LEU 43 3HD2 LEU 43 -5.992 1.105 2.631 352 HD22 LEU 43 1HD2 LEU 43 -6.761 2.596 2.090 353 HD23 LEU 43 2HD2 LEU 43 -6.922 2.080 3.769 354 H GLY 44 H GLY 44 -6.030 6.958 5.760 355 HA2 GLY 44 2HA GLY 44 -3.314 7.134 6.346 356 HA3 GLY 44 1HA GLY 44 -4.520 8.256 6.908 357 H GLU 45 H GLU 45 -5.860 5.970 8.450 358 HA GLU 45 HA GLU 45 -4.384 6.376 10.804 359 HB2 GLU 45 2HB GLU 45 -6.077 5.134 11.963 360 HB3 GLU 45 1HB GLU 45 -6.840 6.222 10.816 361 HG2 GLU 45 2HG GLU 45 -7.235 4.389 9.291 362 HG3 GLU 45 1HG GLU 45 -6.391 3.281 10.375 363 H SER 46 H SER 46 -4.314 3.996 8.355 364 HA SER 46 HA SER 46 -2.959 2.067 10.077 365 HB2 SER 46 2HB SER 46 -3.764 1.901 7.168 366 HB3 SER 46 1HB SER 46 -3.074 0.592 8.121 367 HG SER 46 HG SER 46 -5.429 1.912 8.940 368 H LEU 47 H LEU 47 -0.821 2.011 10.210 369 HA LEU 47 HA LEU 47 0.539 4.250 9.169 370 HB2 LEU 47 2HB LEU 47 1.892 1.905 10.450 371 HB3 LEU 47 1HB LEU 47 2.419 3.575 10.425 372 HG LEU 47 HG LEU 47 1.684 3.346 12.584 373 HD11 LEU 47 1HD1 LEU 47 0.545 5.238 11.599 374 HD12 LEU 47 2HD1 LEU 47 -0.493 4.459 12.797 375 HD13 LEU 47 3HD1 LEU 47 -0.775 4.192 11.073 376 HD21 LEU 47 3HD2 LEU 47 -0.551 1.634 11.532 377 HD22 LEU 47 1HD2 LEU 47 -0.309 2.057 13.228 378 HD23 LEU 47 2HD2 LEU 47 0.894 1.085 12.379 379 H GLU 48 H GLU 48 -0.012 1.341 7.550 380 HA GLU 48 HA GLU 48 2.706 1.026 6.644 381 HB2 GLU 48 2HB GLU 48 0.685 -0.712 6.791 382 HB3 GLU 48 1HB GLU 48 0.379 -0.136 5.170 383 HG2 GLU 48 2HG GLU 48 1.831 -2.224 5.526 384 HG3 GLU 48 1HG GLU 48 2.304 -1.004 4.349 385 H TYR 49 H TYR 49 -0.088 2.827 5.775 386 HA TYR 49 HA TYR 49 1.026 3.559 3.190 387 HB2 TYR 49 2HB TYR 49 -1.169 3.770 2.821 388 HB3 TYR 49 1HB TYR 49 -1.545 3.783 4.528 389 HD1 TYR 49 2HD TYR 49 -0.732 5.832 1.605 390 HD2 TYR 49 1HD TYR 49 -1.988 5.847 5.665 391 HE1 TYR 49 2HE TYR 49 -1.360 8.192 1.378 392 HE2 TYR 49 1HE TYR 49 -2.623 8.220 5.480 393 HH TYR 49 HH TYR 49 -3.026 9.814 2.634 394 H LYS 50 H LYS 50 1.258 4.496 6.441 395 HA LYS 50 HA LYS 50 2.418 7.100 5.820 396 HB2 LYS 50 2HB LYS 50 1.261 5.951 8.088 397 HB3 LYS 50 1HB LYS 50 2.967 6.085 8.486 398 HG2 LYS 50 2HG LYS 50 2.955 8.422 8.192 399 HG3 LYS 50 1HG LYS 50 1.381 8.384 7.400 400 HD2 LYS 50 2HD LYS 50 1.911 7.697 10.291 401 HD3 LYS 50 1HD LYS 50 1.187 9.194 9.694 402 HE2 LYS 50 2HE LYS 50 -0.570 7.726 8.598 403 HE3 LYS 50 1HE LYS 50 0.073 6.407 9.569 404 HZ1 LYS 50 3HZ LYS 50 -0.739 8.928 10.868 405 HZ2 LYS 50 1HZ LYS 50 -0.648 7.372 11.522 406 HZ3 LYS 50 2HZ LYS 50 -1.908 7.768 10.462 407 H ALA 51 H ALA 51 3.314 3.846 5.902 408 HA ALA 51 HA ALA 51 6.124 4.330 6.369 409 HB1 ALA 51 1HB ALA 51 5.185 2.234 7.041 410 HB2 ALA 51 2HB ALA 51 6.368 1.945 5.764 411 HB3 ALA 51 3HB ALA 51 4.639 1.902 5.401 412 H LEU 52 H LEU 52 4.207 5.120 3.858 413 HA LEU 52 HA LEU 52 6.356 4.773 1.879 414 HB2 LEU 52 2HB LEU 52 3.395 4.591 1.281 415 HB3 LEU 52 1HB LEU 52 4.703 4.438 0.130 416 HG LEU 52 HG LEU 52 4.026 2.505 2.343 417 HD11 LEU 52 1HD1 LEU 52 3.933 1.190 -0.050 418 HD12 LEU 52 2HD1 LEU 52 3.312 2.794 -0.482 419 HD13 LEU 52 3HD1 LEU 52 2.541 1.858 0.808 420 HD21 LEU 52 3HD2 LEU 52 5.784 1.090 1.406 421 HD22 LEU 52 1HD2 LEU 52 6.449 2.617 1.988 422 HD23 LEU 52 2HD2 LEU 52 6.213 2.363 0.256 423 H GLY 53 H GLY 53 5.670 6.940 3.664 424 HA2 GLY 53 2HA GLY 53 4.405 9.101 2.419 425 HA3 GLY 53 1HA GLY 53 5.682 9.235 3.617 426 H ASP 54 H ASP 54 7.518 7.699 1.768 427 HA ASP 54 HA ASP 54 8.150 9.982 0.023 428 HB2 ASP 54 2HB ASP 54 9.838 9.415 1.780 429 HB3 ASP 54 1HB ASP 54 10.056 7.848 1.009 430 H GLU 55 H GLU 55 7.953 6.463 0.162 431 HA GLU 55 HA GLU 55 8.227 6.105 -2.684 432 HB2 GLU 55 2HB GLU 55 7.417 4.318 -0.393 433 HB3 GLU 55 1HB GLU 55 7.202 3.799 -2.058 434 HG2 GLU 55 2HG GLU 55 9.263 2.949 -1.037 435 HG3 GLU 55 1HG GLU 55 9.556 3.925 -2.472 436 H ASP 56 H ASP 56 6.574 8.038 -2.610 437 HA ASP 56 HA ASP 56 3.915 7.498 -1.772 438 HB2 ASP 56 2HB ASP 56 3.459 9.731 -2.349 439 HB3 ASP 56 1HB ASP 56 5.145 9.754 -1.866 440 H ASN 57 H ASN 57 5.433 7.790 -4.989 441 HA ASN 57 HA ASN 57 2.961 7.391 -6.373 442 HB2 ASN 57 2HB ASN 57 4.180 7.699 -8.309 443 HB3 ASN 57 1HB ASN 57 5.285 8.453 -7.162 444 HD21 ASN 57 1HD2 ASN 57 7.116 7.195 -6.438 445 HD22 ASN 57 2HD2 ASN 57 7.778 5.980 -7.470 446 H ILE 58 H ILE 58 5.384 5.282 -5.000 447 HA ILE 58 HA ILE 58 4.693 2.953 -6.444 448 HB ILE 58 HB ILE 58 5.887 3.404 -3.721 449 HG12 ILE 58 2HG1 ILE 58 7.789 2.088 -4.873 450 HG13 ILE 58 1HG1 ILE 58 6.931 2.451 -6.357 451 HG21 ILE 58 1HG2 ILE 58 5.254 0.747 -4.993 452 HG22 ILE 58 2HG2 ILE 58 4.594 1.394 -3.488 453 HG23 ILE 58 3HG2 ILE 58 6.302 0.967 -3.591 454 HD11 ILE 58 3HD1 ILE 58 8.190 4.366 -4.436 455 HD12 ILE 58 1HD1 ILE 58 7.070 4.883 -5.704 456 HD13 ILE 58 2HD1 ILE 58 8.591 4.089 -6.130 457 H ARG 59 H ARG 59 3.740 4.210 -3.286 458 HA ARG 59 HA ARG 59 1.967 2.217 -2.553 459 HB2 ARG 59 2HB ARG 59 2.119 3.409 -0.729 460 HB3 ARG 59 1HB ARG 59 2.760 4.783 -1.607 461 HG2 ARG 59 2HG ARG 59 0.475 5.539 -2.050 462 HG3 ARG 59 1HG ARG 59 -0.130 4.166 -1.132 463 HD2 ARG 59 2HD ARG 59 -0.102 6.066 0.288 464 HD3 ARG 59 1HD ARG 59 1.128 4.913 0.799 465 HE ARG 59 HE ARG 59 2.802 6.362 -0.020 466 HH11 ARG 59 1HH1 ARG 59 -0.429 7.670 -0.440 467 HH12 ARG 59 2HH1 ARG 59 0.132 9.306 -0.597 468 HH21 ARG 59 1HH2 ARG 59 3.501 8.502 -0.187 469 HH22 ARG 59 2HH2 ARG 59 2.341 9.760 -0.475 470 H ARG 60 H ARG 60 1.281 5.229 -4.345 471 HA ARG 60 HA ARG 60 -1.524 4.877 -4.419 472 HB2 ARG 60 2HB ARG 60 -1.287 6.462 -6.458 473 HB3 ARG 60 1HB ARG 60 -0.823 7.060 -4.869 474 HG2 ARG 60 2HG ARG 60 1.418 6.990 -5.346 475 HG3 ARG 60 1HG ARG 60 1.233 5.805 -6.622 476 HD2 ARG 60 2HD ARG 60 0.937 8.738 -6.680 477 HD3 ARG 60 1HD ARG 60 1.625 7.653 -7.875 478 HE ARG 60 HE ARG 60 -0.737 7.010 -8.401 479 HH11 ARG 60 1HH1 ARG 60 0.076 10.138 -7.094 480 HH12 ARG 60 2HH1 ARG 60 -1.353 10.906 -7.706 481 HH21 ARG 60 1HH2 ARG 60 -2.619 7.989 -9.206 482 HH22 ARG 60 2HH2 ARG 60 -2.887 9.667 -8.893 483 H GLN 61 H GLN 61 1.095 3.921 -6.607 484 HA GLN 61 HA GLN 61 -0.766 3.043 -8.602 485 HB2 GLN 61 2HB GLN 61 2.231 2.782 -8.379 486 HB3 GLN 61 1HB GLN 61 1.305 2.084 -9.706 487 HG2 GLN 61 2HG GLN 61 1.707 4.963 -9.005 488 HG3 GLN 61 1HG GLN 61 1.965 4.144 -10.547 489 HE21 GLN 61 1HE2 GLN 61 -0.558 2.715 -10.455 490 HE22 GLN 61 2HE2 GLN 61 -1.812 3.866 -10.718 491 H ILE 62 H ILE 62 1.217 1.288 -6.111 492 HA ILE 62 HA ILE 62 0.372 -1.261 -6.982 493 HB ILE 62 HB ILE 62 0.281 -1.521 -4.209 494 HG12 ILE 62 2HG1 ILE 62 2.679 0.144 -4.935 495 HG13 ILE 62 1HG1 ILE 62 1.277 0.749 -4.062 496 HG21 ILE 62 1HG2 ILE 62 1.169 -3.161 -5.667 497 HG22 ILE 62 2HG2 ILE 62 2.441 -2.678 -4.542 498 HG23 ILE 62 3HG2 ILE 62 2.453 -2.072 -6.200 499 HD11 ILE 62 3HD1 ILE 62 3.041 0.198 -2.520 500 HD12 ILE 62 1HD1 ILE 62 3.122 -1.443 -3.164 501 HD13 ILE 62 2HD1 ILE 62 1.679 -0.905 -2.305 502 H PHE 63 H PHE 63 -1.123 0.984 -4.695 503 HA PHE 63 HA PHE 63 -3.254 -0.518 -3.883 504 HB2 PHE 63 2HB PHE 63 -3.169 1.490 -2.797 505 HB3 PHE 63 1HB PHE 63 -2.889 2.391 -4.281 506 HD1 PHE 63 1HD PHE 63 -5.501 0.305 -2.650 507 HD2 PHE 63 2HD PHE 63 -4.640 3.620 -5.194 508 HE1 PHE 63 1HE PHE 63 -7.910 0.796 -2.819 509 HE2 PHE 63 2HE PHE 63 -7.042 4.100 -5.365 510 HZ PHE 63 HZ PHE 63 -8.670 2.692 -4.169 511 H GLU 64 H GLU 64 -3.131 1.546 -6.736 512 HA GLU 64 HA GLU 64 -5.748 0.980 -7.643 513 HB2 GLU 64 2HB GLU 64 -4.336 2.969 -8.219 514 HB3 GLU 64 1HB GLU 64 -3.366 1.927 -9.244 515 HG2 GLU 64 2HG GLU 64 -5.277 1.509 -10.668 516 HG3 GLU 64 1HG GLU 64 -6.300 2.480 -9.608 517 H ASP 65 H ASP 65 -2.612 -0.446 -8.303 518 HA ASP 65 HA ASP 65 -3.564 -2.162 -10.426 519 HB2 ASP 65 2HB ASP 65 -1.299 -1.153 -10.439 520 HB3 ASP 65 1HB ASP 65 -0.884 -2.116 -9.031 521 H PHE 66 H PHE 66 -3.874 -2.375 -7.131 522 HA PHE 66 HA PHE 66 -2.672 -4.747 -6.375 523 HB2 PHE 66 2HB PHE 66 -4.892 -3.079 -5.357 524 HB3 PHE 66 1HB PHE 66 -4.753 -4.700 -4.705 525 HD1 PHE 66 2HD PHE 66 -1.564 -4.466 -5.160 526 HD2 PHE 66 1HD PHE 66 -4.535 -2.255 -3.066 527 HE1 PHE 66 2HE PHE 66 0.140 -3.692 -3.560 528 HE2 PHE 66 1HE PHE 66 -2.849 -1.477 -1.453 529 HZ PHE 66 HZ PHE 66 -0.496 -2.196 -1.711 530 H LYS 67 H LYS 67 -6.030 -4.318 -7.378 531 HA LYS 67 HA LYS 67 -7.650 -5.718 -8.059 532 HB2 LYS 67 2HB LYS 67 -5.698 -7.853 -8.819 533 HB3 LYS 67 1HB LYS 67 -7.152 -7.331 -9.643 534 HG2 LYS 67 2HG LYS 67 -4.580 -5.791 -9.546 535 HG3 LYS 67 1HG LYS 67 -5.115 -6.805 -10.884 536 HD2 LYS 67 2HD LYS 67 -7.170 -4.925 -10.120 537 HD3 LYS 67 1HD LYS 67 -5.652 -4.091 -10.490 538 HE2 LYS 67 2HE LYS 67 -5.549 -5.046 -12.654 539 HE3 LYS 67 1HE LYS 67 -6.843 -6.183 -12.287 540 HZ1 LYS 67 3HZ LYS 67 -7.479 -4.249 -13.701 541 HZ2 LYS 67 1HZ LYS 67 -7.244 -3.240 -12.361 542 HZ3 LYS 67 2HZ LYS 67 -8.435 -4.452 -12.314 543 HA PRO 68 HA PRO 68 -7.820 -8.284 -4.364 544 HB2 PRO 68 2HB PRO 68 -10.651 -7.744 -4.280 545 HB3 PRO 68 1HB PRO 68 -9.381 -7.042 -3.278 546 HG2 PRO 68 2HG PRO 68 -10.795 -5.589 -5.125 547 HG3 PRO 68 1HG PRO 68 -9.147 -5.190 -4.629 548 HD2 PRO 68 2HD PRO 68 -10.103 -6.751 -7.003 549 HD3 PRO 68 1HD PRO 68 -8.965 -5.393 -6.928 550 H GLU 69 H GLU 69 -10.122 -9.669 -3.753 551 HA GLU 69 HA GLU 69 -11.339 -11.520 -4.137 552 HB2 GLU 69 2HB GLU 69 -12.161 -10.392 -6.170 553 HB3 GLU 69 1HB GLU 69 -10.794 -11.030 -7.074 554 HG2 GLU 69 2HG GLU 69 -11.586 -13.288 -6.728 555 HG3 GLU 69 1HG GLU 69 -12.918 -12.686 -5.739 Start of MODEL 8 1 H ASN 5 H ASN 5 19.306 -1.863 0.019 2 HA ASN 5 HA ASN 5 17.808 -3.855 1.460 3 HB2 ASN 5 2HB ASN 5 19.622 -2.467 2.489 4 HB3 ASN 5 1HB ASN 5 18.576 -1.063 2.313 5 HD21 ASN 5 1HD2 ASN 5 17.582 -4.312 3.174 6 HD22 ASN 5 2HD2 ASN 5 17.027 -3.912 4.759 7 H GLU 6 H GLU 6 17.318 -0.675 0.158 8 HA GLU 6 HA GLU 6 14.680 -0.226 1.066 9 HB2 GLU 6 2HB GLU 6 14.794 1.220 -1.216 10 HB3 GLU 6 1HB GLU 6 15.516 1.742 0.302 11 HG2 GLU 6 2HG GLU 6 17.668 1.017 -0.372 12 HG3 GLU 6 1HG GLU 6 17.019 0.167 -1.772 13 H ARG 7 H ARG 7 15.973 -1.690 -1.898 14 HA ARG 7 HA ARG 7 13.552 -2.266 -3.165 15 HB2 ARG 7 2HB ARG 7 16.306 -3.090 -3.405 16 HB3 ARG 7 1HB ARG 7 15.237 -4.467 -3.621 17 HG2 ARG 7 2HG ARG 7 15.389 -1.940 -5.220 18 HG3 ARG 7 1HG ARG 7 15.525 -3.612 -5.772 19 HD2 ARG 7 2HD ARG 7 13.083 -3.795 -4.866 20 HD3 ARG 7 1HD ARG 7 13.100 -2.043 -5.020 21 HE ARG 7 HE ARG 7 14.030 -3.073 -7.436 22 HH11 ARG 7 1HH1 ARG 7 11.085 -3.030 -5.548 23 HH12 ARG 7 2HH1 ARG 7 10.050 -3.268 -6.911 24 HH21 ARG 7 1HH2 ARG 7 12.667 -3.409 -9.249 25 HH22 ARG 7 2HH2 ARG 7 10.946 -3.466 -9.024 26 H ARG 8 H ARG 8 15.318 -4.067 -0.672 27 HA ARG 8 HA ARG 8 13.532 -6.259 -0.594 28 HB2 ARG 8 2HB ARG 8 15.899 -6.190 0.342 29 HB3 ARG 8 1HB ARG 8 15.241 -5.292 1.700 30 HG2 ARG 8 2HG ARG 8 13.980 -7.095 2.460 31 HG3 ARG 8 1HG ARG 8 14.085 -7.940 0.918 32 HD2 ARG 8 2HD ARG 8 15.473 -9.023 2.558 33 HD3 ARG 8 1HD ARG 8 16.479 -8.314 1.302 34 HE ARG 8 HE ARG 8 17.161 -6.639 2.854 35 HH11 ARG 8 1HH1 ARG 8 15.225 -9.216 4.256 36 HH12 ARG 8 2HH1 ARG 8 15.782 -8.926 5.881 37 HH21 ARG 8 1HH2 ARG 8 17.928 -6.290 4.985 38 HH22 ARG 8 2HH2 ARG 8 17.327 -7.262 6.295 39 H ILE 9 H ILE 9 13.775 -3.280 1.307 40 HA ILE 9 HA ILE 9 11.658 -3.669 3.073 41 HB ILE 9 HB ILE 9 12.704 -1.166 1.761 42 HG12 ILE 9 2HG1 ILE 9 13.126 -2.169 4.575 43 HG13 ILE 9 1HG1 ILE 9 14.262 -2.397 3.242 44 HG21 ILE 9 1HG2 ILE 9 11.533 0.078 3.582 45 HG22 ILE 9 2HG2 ILE 9 10.726 -1.424 4.035 46 HG23 ILE 9 3HG2 ILE 9 10.434 -0.709 2.450 47 HD11 ILE 9 3HD1 ILE 9 14.961 -0.508 4.540 48 HD12 ILE 9 1HD1 ILE 9 13.357 0.218 4.414 49 HD13 ILE 9 2HD1 ILE 9 14.362 0.058 2.975 50 H LEU 10 H LEU 10 11.709 -2.145 -0.123 51 HA LEU 10 HA LEU 10 9.108 -1.194 -0.150 52 HB2 LEU 10 2HB LEU 10 11.018 -0.564 -1.634 53 HB3 LEU 10 1HB LEU 10 10.746 -2.046 -2.533 54 HG LEU 10 HG LEU 10 8.444 -1.240 -3.054 55 HD11 LEU 10 1HD1 LEU 10 7.980 0.279 -1.307 56 HD12 LEU 10 2HD1 LEU 10 8.147 1.279 -2.754 57 HD13 LEU 10 3HD1 LEU 10 9.469 1.179 -1.590 58 HD21 LEU 10 3HD2 LEU 10 10.241 -0.969 -4.655 59 HD22 LEU 10 1HD2 LEU 10 10.734 0.539 -3.886 60 HD23 LEU 10 2HD2 LEU 10 9.175 0.435 -4.705 61 H GLU 11 H GLU 11 10.390 -4.233 -1.531 62 HA GLU 11 HA GLU 11 7.827 -4.959 -2.575 63 HB2 GLU 11 2HB GLU 11 10.263 -6.698 -2.141 64 HB3 GLU 11 1HB GLU 11 8.842 -7.124 -3.089 65 HG2 GLU 11 2HG GLU 11 10.863 -4.983 -3.670 66 HG3 GLU 11 1HG GLU 11 10.515 -6.431 -4.610 67 H GLN 12 H GLN 12 9.598 -5.703 0.362 68 HA GLN 12 HA GLN 12 7.886 -7.647 1.415 69 HB2 GLN 12 2HB GLN 12 10.058 -7.059 2.422 70 HB3 GLN 12 1HB GLN 12 9.420 -5.485 2.872 71 HG2 GLN 12 2HG GLN 12 7.715 -6.662 4.260 72 HG3 GLN 12 1HG GLN 12 8.567 -8.166 3.920 73 HE21 GLN 12 1HE2 GLN 12 9.044 -8.500 6.065 74 HE22 GLN 12 2HE2 GLN 12 10.233 -7.573 6.909 75 H LYS 13 H LYS 13 7.875 -4.108 1.784 76 HA LYS 13 HA LYS 13 5.440 -4.080 3.240 77 HB2 LYS 13 2HB LYS 13 6.948 -1.893 1.818 78 HB3 LYS 13 1HB LYS 13 5.430 -1.606 2.656 79 HG2 LYS 13 2HG LYS 13 7.988 -2.619 3.881 80 HG3 LYS 13 1HG LYS 13 7.293 -1.010 4.068 81 HD2 LYS 13 2HD LYS 13 5.317 -2.026 5.162 82 HD3 LYS 13 1HD LYS 13 6.087 -3.608 5.028 83 HE2 LYS 13 2HE LYS 13 7.952 -2.809 6.398 84 HE3 LYS 13 1HE LYS 13 7.174 -1.234 6.533 85 HZ1 LYS 13 3HZ LYS 13 5.276 -2.367 7.612 86 HZ2 LYS 13 1HZ LYS 13 6.722 -2.487 8.491 87 HZ3 LYS 13 2HZ LYS 13 6.166 -3.813 7.604 88 H LYS 14 H LYS 14 6.203 -3.843 -0.196 89 HA LYS 14 HA LYS 14 3.797 -3.038 -1.257 90 HB2 LYS 14 2HB LYS 14 5.937 -3.726 -2.458 91 HB3 LYS 14 1HB LYS 14 5.372 -5.380 -2.317 92 HG2 LYS 14 2HG LYS 14 3.411 -4.883 -3.612 93 HG3 LYS 14 1HG LYS 14 3.861 -3.179 -3.693 94 HD2 LYS 14 2HD LYS 14 5.786 -5.237 -4.673 95 HD3 LYS 14 1HD LYS 14 4.394 -4.815 -5.669 96 HE2 LYS 14 2HE LYS 14 5.064 -2.518 -5.753 97 HE3 LYS 14 1HE LYS 14 6.350 -2.789 -4.577 98 HZ1 LYS 14 3HZ LYS 14 7.215 -2.700 -6.812 99 HZ2 LYS 14 1HZ LYS 14 6.207 -3.968 -7.303 100 HZ3 LYS 14 2HZ LYS 14 7.441 -4.249 -6.163 101 H HIS 15 H HIS 15 4.724 -6.344 -0.334 102 HA HIS 15 HA HIS 15 2.219 -7.494 -0.949 103 HB2 HIS 15 2HB HIS 15 4.267 -8.851 -0.688 104 HB3 HIS 15 1HB HIS 15 4.282 -8.482 1.035 105 HD1 HIS 15 1HD HIS 15 3.972 -10.964 1.733 106 HD2 HIS 15 2HD HIS 15 0.906 -9.477 -0.665 107 HE1 HIS 15 1HE HIS 15 2.107 -12.642 1.887 108 HE2 HIS 15 2HE HIS 15 0.415 -11.878 0.188 109 H TYR 16 H TYR 16 3.580 -6.288 2.107 110 HA TYR 16 HA TYR 16 1.193 -7.089 3.496 111 HB2 TYR 16 2HB TYR 16 3.711 -5.727 4.396 112 HB3 TYR 16 1HB TYR 16 2.327 -5.958 5.471 113 HD1 TYR 16 2HD TYR 16 1.281 -8.510 4.899 114 HD2 TYR 16 1HD TYR 16 5.368 -7.315 4.886 115 HE1 TYR 16 2HE TYR 16 1.946 -10.829 5.288 116 HE2 TYR 16 1HE TYR 16 6.048 -9.653 5.254 117 HH TYR 16 HH TYR 16 5.025 -11.734 6.241 118 H PHE 17 H PHE 17 2.103 -4.306 1.794 119 HA PHE 17 HA PHE 17 0.187 -2.598 3.069 120 HB2 PHE 17 2HB PHE 17 2.135 -1.690 1.858 121 HB3 PHE 17 1HB PHE 17 1.509 -2.377 0.373 122 HD1 PHE 17 2HD PHE 17 0.082 -0.357 3.144 123 HD2 PHE 17 1HD PHE 17 0.648 -0.805 -1.053 124 HE1 PHE 17 2HE PHE 17 -1.202 1.696 2.756 125 HE2 PHE 17 1HE PHE 17 -0.652 1.243 -1.446 126 HZ PHE 17 HZ PHE 17 -1.579 2.502 0.455 127 H TRP 18 H TRP 18 0.266 -4.949 0.502 128 HA TRP 18 HA TRP 18 -2.440 -4.413 -0.377 129 HB2 TRP 18 2HB TRP 18 -0.678 -5.541 -1.799 130 HB3 TRP 18 1HB TRP 18 -0.831 -6.945 -0.760 131 HD1 TRP 18 HD TRP 18 -1.347 -8.109 -3.185 132 HE1 TRP 18 1HE TRP 18 -3.572 -8.511 -4.391 133 HE3 TRP 18 3HE TRP 18 -4.350 -4.667 -0.761 134 HZ2 TRP 18 2HZ TRP 18 -6.176 -7.600 -4.351 135 HZ3 TRP 18 3HZ TRP 18 -6.726 -4.515 -1.482 136 HH2 TRP 18 HH TRP 18 -7.594 -5.959 -3.226 137 H LEU 19 H LEU 19 -0.773 -6.350 1.946 138 HA LEU 19 HA LEU 19 -2.981 -7.971 2.747 139 HB2 LEU 19 2HB LEU 19 -0.285 -7.927 3.257 140 HB3 LEU 19 1HB LEU 19 -0.925 -7.283 4.754 141 HG LEU 19 HG LEU 19 -2.491 -9.510 4.317 142 HD11 LEU 19 1HD1 LEU 19 -1.071 -10.255 2.496 143 HD12 LEU 19 2HD1 LEU 19 -0.900 -11.325 3.890 144 HD13 LEU 19 3HD1 LEU 19 0.349 -10.129 3.536 145 HD21 LEU 19 3HD2 LEU 19 -1.329 -8.574 6.374 146 HD22 LEU 19 1HD2 LEU 19 0.063 -9.541 5.882 147 HD23 LEU 19 2HD2 LEU 19 -1.475 -10.330 6.258 148 H LEU 20 H LEU 20 -1.609 -4.907 3.565 149 HA LEU 20 HA LEU 20 -3.338 -4.197 5.725 150 HB2 LEU 20 2HB LEU 20 -1.032 -3.275 5.040 151 HB3 LEU 20 1HB LEU 20 -1.887 -2.324 3.846 152 HG LEU 20 HG LEU 20 -1.308 -1.009 5.794 153 HD11 LEU 20 1HD1 LEU 20 -4.263 -1.517 5.508 154 HD12 LEU 20 2HD1 LEU 20 -3.285 -0.321 4.658 155 HD13 LEU 20 3HD1 LEU 20 -3.561 -0.158 6.390 156 HD21 LEU 20 3HD2 LEU 20 -1.336 -2.934 7.378 157 HD22 LEU 20 1HD2 LEU 20 -3.101 -2.855 7.412 158 HD23 LEU 20 2HD2 LEU 20 -2.127 -1.489 7.994 159 H LEU 21 H LEU 21 -3.289 -3.396 2.232 160 HA LEU 21 HA LEU 21 -5.516 -1.639 2.356 161 HB2 LEU 21 2HB LEU 21 -3.477 -1.696 0.825 162 HB3 LEU 21 1HB LEU 21 -4.271 -2.943 -0.064 163 HG LEU 21 HG LEU 21 -4.836 -1.180 -1.387 164 HD11 LEU 21 1HD1 LEU 21 -7.013 -1.895 -0.586 165 HD12 LEU 21 2HD1 LEU 21 -6.990 -0.162 -0.920 166 HD13 LEU 21 3HD1 LEU 21 -6.913 -0.743 0.748 167 HD21 LEU 21 3HD2 LEU 21 -4.672 0.587 1.035 168 HD22 LEU 21 1HD2 LEU 21 -4.912 1.130 -0.629 169 HD23 LEU 21 2HD2 LEU 21 -3.413 0.316 -0.172 170 H GLN 22 H GLN 22 -5.096 -5.110 1.788 171 HA GLN 22 HA GLN 22 -7.789 -5.411 0.754 172 HB2 GLN 22 2HB GLN 22 -6.066 -6.995 0.035 173 HB3 GLN 22 1HB GLN 22 -5.836 -7.520 1.697 174 HG2 GLN 22 2HG GLN 22 -8.082 -8.413 1.764 175 HG3 GLN 22 1HG GLN 22 -8.397 -7.809 0.140 176 HE21 GLN 22 1HE2 GLN 22 -7.587 -8.924 -1.617 177 HE22 GLN 22 2HE2 GLN 22 -6.838 -10.474 -1.489 178 H ARG 23 H ARG 23 -6.125 -5.956 3.823 179 HA ARG 23 HA ARG 23 -8.317 -7.050 5.214 180 HB2 ARG 23 2HB ARG 23 -6.124 -7.282 6.132 181 HB3 ARG 23 1HB ARG 23 -5.871 -5.545 6.141 182 HG2 ARG 23 2HG ARG 23 -8.170 -6.402 7.713 183 HG3 ARG 23 1HG ARG 23 -6.635 -7.060 8.275 184 HD2 ARG 23 2HD ARG 23 -7.328 -4.156 7.860 185 HD3 ARG 23 1HD ARG 23 -7.072 -4.977 9.397 186 HE ARG 23 HE ARG 23 -4.911 -4.585 7.404 187 HH11 ARG 23 1HH1 ARG 23 -6.091 -4.583 10.723 188 HH12 ARG 23 2HH1 ARG 23 -4.527 -4.192 11.378 189 HH21 ARG 23 1HH2 ARG 23 -2.915 -4.118 8.276 190 HH22 ARG 23 2HH2 ARG 23 -2.737 -3.899 9.974 191 H THR 24 H THR 24 -7.363 -3.765 4.497 192 HA THR 24 HA THR 24 -9.501 -2.639 6.076 193 HB THR 24 HB THR 24 -7.888 -1.232 3.940 194 HG1 THR 24 1HG THR 24 -6.374 -1.930 5.384 195 HG21 THR 24 3HG2 THR 24 -8.428 0.761 5.315 196 HG22 THR 24 1HG2 THR 24 -9.449 -0.253 6.333 197 HG23 THR 24 2HG2 THR 24 -9.862 -0.011 4.630 198 H TYR 25 H TYR 25 -8.798 -2.299 2.588 199 HA TYR 25 HA TYR 25 -11.673 -2.225 2.088 200 HB2 TYR 25 2HB TYR 25 -9.414 -1.716 0.135 201 HB3 TYR 25 1HB TYR 25 -11.120 -1.351 -0.104 202 HD1 TYR 25 2HD TYR 25 -11.382 -0.333 2.893 203 HD2 TYR 25 1HD TYR 25 -8.785 0.600 -0.347 204 HE1 TYR 25 2HE TYR 25 -11.003 1.897 3.842 205 HE2 TYR 25 1HE TYR 25 -8.409 2.838 0.603 206 HH TYR 25 HH TYR 25 -9.288 4.356 2.094 207 H THR 26 H THR 26 -12.353 -4.251 2.177 208 HA THR 26 HA THR 26 -10.649 -6.446 1.480 209 HB THR 26 HB THR 26 -13.427 -7.053 2.185 210 HG1 THR 26 1HG THR 26 -11.803 -5.369 3.832 211 HG21 THR 26 3HG2 THR 26 -12.324 -8.402 3.910 212 HG22 THR 26 1HG2 THR 26 -10.774 -7.654 3.519 213 HG23 THR 26 2HG2 THR 26 -11.584 -8.677 2.333 214 H LYS 27 H LYS 27 -12.344 -8.398 0.736 215 HA LYS 27 HA LYS 27 -12.579 -8.159 -2.039 216 HB2 LYS 27 2HB LYS 27 -14.276 -10.139 -0.607 217 HB3 LYS 27 1HB LYS 27 -13.191 -10.370 -1.973 218 HG2 LYS 27 2HG LYS 27 -11.269 -10.169 -0.440 219 HG3 LYS 27 1HG LYS 27 -12.384 -10.020 0.907 220 HD2 LYS 27 2HD LYS 27 -11.654 -12.280 0.862 221 HD3 LYS 27 1HD LYS 27 -13.321 -12.256 0.293 222 HE2 LYS 27 2HE LYS 27 -12.104 -13.748 -1.104 223 HE3 LYS 27 1HE LYS 27 -12.435 -12.300 -2.046 224 HZ1 LYS 27 3HZ LYS 27 -10.054 -13.439 -1.931 225 HZ2 LYS 27 1HZ LYS 27 -9.889 -12.385 -0.617 226 HZ3 LYS 27 2HZ LYS 27 -10.258 -11.770 -2.163 227 H THR 28 H THR 28 -14.989 -7.860 0.559 228 HA THR 28 HA THR 28 -16.703 -6.429 -1.338 229 HB THR 28 HB THR 28 -17.606 -8.690 -1.226 230 HG1 THR 28 1HG THR 28 -19.365 -7.527 -1.429 231 HG21 THR 28 3HG2 THR 28 -17.845 -8.205 1.741 232 HG22 THR 28 1HG2 THR 28 -16.742 -9.338 0.962 233 HG23 THR 28 2HG2 THR 28 -18.486 -9.600 0.871 234 H GLY 29 H GLY 29 -15.727 -7.020 1.988 235 HA2 GLY 29 2HA GLY 29 -17.416 -5.612 3.470 236 HA3 GLY 29 1HA GLY 29 -15.709 -5.672 3.810 237 H LYS 30 H LYS 30 -14.364 -4.077 2.587 238 HA LYS 30 HA LYS 30 -15.806 -1.532 2.258 239 HB2 LYS 30 2HB LYS 30 -12.871 -2.019 2.838 240 HB3 LYS 30 1HB LYS 30 -13.606 -0.442 2.607 241 HG2 LYS 30 2HG LYS 30 -14.531 -2.312 4.761 242 HG3 LYS 30 1HG LYS 30 -13.168 -1.215 4.993 243 HD2 LYS 30 2HD LYS 30 -15.881 -0.286 4.078 244 HD3 LYS 30 1HD LYS 30 -15.424 -0.375 5.779 245 HE2 LYS 30 2HE LYS 30 -13.533 1.138 5.331 246 HE3 LYS 30 1HE LYS 30 -14.034 1.248 3.645 247 HZ1 LYS 30 3HZ LYS 30 -15.803 2.020 5.898 248 HZ2 LYS 30 1HZ LYS 30 -16.002 2.369 4.251 249 HZ3 LYS 30 2HZ LYS 30 -14.761 3.118 5.133 250 HA PRO 31 HA PRO 31 -14.968 -1.953 -2.115 251 HB2 PRO 31 2HB PRO 31 -15.283 0.994 -2.058 252 HB3 PRO 31 1HB PRO 31 -16.122 -0.206 -3.047 253 HG2 PRO 31 2HG PRO 31 -17.352 1.001 -1.009 254 HG3 PRO 31 1HG PRO 31 -17.647 -0.711 -1.376 255 HD2 PRO 31 2HD PRO 31 -15.971 0.512 0.778 256 HD3 PRO 31 1HD PRO 31 -17.007 -0.930 0.837 257 H LYS 32 H LYS 32 -13.177 -1.716 -3.360 258 HA LYS 32 HA LYS 32 -10.937 -0.220 -2.329 259 HB2 LYS 32 2HB LYS 32 -10.381 -2.322 -3.313 260 HB3 LYS 32 1HB LYS 32 -11.230 -1.932 -4.796 261 HG2 LYS 32 2HG LYS 32 -9.167 -1.377 -5.517 262 HG3 LYS 32 1HG LYS 32 -9.511 0.128 -4.695 263 HD2 LYS 32 2HD LYS 32 -7.281 -0.768 -4.144 264 HD3 LYS 32 1HD LYS 32 -8.316 -0.612 -2.732 265 HE2 LYS 32 2HE LYS 32 -8.247 -3.179 -4.194 266 HE3 LYS 32 1HE LYS 32 -6.890 -2.780 -3.151 267 HZ1 LYS 32 3HZ LYS 32 -9.744 -2.971 -2.315 268 HZ2 LYS 32 1HZ LYS 32 -8.462 -2.533 -1.301 269 HZ3 LYS 32 2HZ LYS 32 -8.528 -4.086 -1.956 270 HA PRO 33 HA PRO 33 -12.211 3.802 -3.745 271 HB2 PRO 33 2HB PRO 33 -9.273 3.394 -4.158 272 HB3 PRO 33 1HB PRO 33 -10.096 4.836 -3.644 273 HG2 PRO 33 2HG PRO 33 -9.008 3.159 -1.890 274 HG3 PRO 33 1HG PRO 33 -10.494 4.019 -1.546 275 HD2 PRO 33 2HD PRO 33 -10.080 1.238 -1.922 276 HD3 PRO 33 1HD PRO 33 -11.568 2.060 -1.409 277 H SER 34 H SER 34 -12.795 4.674 -5.646 278 HA SER 34 HA SER 34 -11.921 3.591 -8.169 279 HB2 SER 34 2HB SER 34 -13.476 6.118 -7.525 280 HB3 SER 34 1HB SER 34 -13.216 5.479 -9.148 281 HG SER 34 HG SER 34 -14.929 4.346 -8.810 282 H THR 35 H THR 35 -10.748 5.714 -5.880 283 HA THR 35 HA THR 35 -8.520 6.505 -7.558 284 HB THR 35 HB THR 35 -10.037 8.675 -6.110 285 HG1 THR 35 1HG THR 35 -10.463 7.563 -8.635 286 HG21 THR 35 3HG2 THR 35 -8.684 10.136 -7.550 287 HG22 THR 35 1HG2 THR 35 -7.915 8.723 -8.255 288 HG23 THR 35 2HG2 THR 35 -7.673 9.093 -6.547 289 H TRP 36 H TRP 36 -6.693 6.998 -6.373 290 HA TRP 36 HA TRP 36 -6.547 5.883 -3.791 291 HB2 TRP 36 2HB TRP 36 -4.678 5.576 -5.116 292 HB3 TRP 36 1HB TRP 36 -4.619 7.247 -5.590 293 HD1 TRP 36 HD TRP 36 -2.743 8.598 -4.489 294 HE1 TRP 36 1HE TRP 36 -1.234 8.312 -2.417 295 HE3 TRP 36 3HE TRP 36 -4.948 4.440 -2.473 296 HZ2 TRP 36 2HZ TRP 36 -1.037 6.556 -0.218 297 HZ3 TRP 36 3HZ TRP 36 -4.029 3.528 -0.382 298 HH2 TRP 36 HH TRP 36 -2.117 4.564 0.718 299 H ASP 37 H ASP 37 -7.428 9.007 -4.765 300 HA ASP 37 HA ASP 37 -6.402 10.556 -2.635 301 HB2 ASP 37 2HB ASP 37 -7.341 11.525 -4.703 302 HB3 ASP 37 1HB ASP 37 -8.941 10.960 -4.238 303 H LEU 38 H LEU 38 -9.654 9.132 -3.061 304 HA LEU 38 HA LEU 38 -10.518 9.719 -0.426 305 HB2 LEU 38 2HB LEU 38 -12.273 7.951 -0.913 306 HB3 LEU 38 1HB LEU 38 -12.229 9.323 -2.002 307 HG LEU 38 HG LEU 38 -10.568 7.216 -3.043 308 HD11 LEU 38 1HD1 LEU 38 -12.388 5.602 -3.538 309 HD12 LEU 38 2HD1 LEU 38 -13.402 6.448 -2.362 310 HD13 LEU 38 3HD1 LEU 38 -11.921 5.645 -1.836 311 HD21 LEU 38 3HD2 LEU 38 -13.149 8.424 -4.013 312 HD22 LEU 38 1HD2 LEU 38 -12.013 7.484 -4.981 313 HD23 LEU 38 2HD2 LEU 38 -11.531 9.052 -4.326 314 H ALA 39 H ALA 39 -8.712 7.178 -1.877 315 HA ALA 39 HA ALA 39 -9.115 5.154 0.041 316 HB1 ALA 39 1HB ALA 39 -8.276 4.707 -2.201 317 HB2 ALA 39 2HB ALA 39 -7.164 4.102 -0.964 318 HB3 ALA 39 3HB ALA 39 -6.793 5.601 -1.824 319 H SER 40 H SER 40 -6.487 7.453 -0.506 320 HA SER 40 HA SER 40 -4.980 6.615 1.716 321 HB2 SER 40 2HB SER 40 -3.736 8.740 1.329 322 HB3 SER 40 1HB SER 40 -3.870 7.712 -0.089 323 HG SER 40 HG SER 40 -5.194 9.123 -1.015 324 H LYS 41 H LYS 41 -7.522 9.009 1.330 325 HA LYS 41 HA LYS 41 -7.097 10.399 3.734 326 HB2 LYS 41 2HB LYS 41 -8.688 11.133 1.932 327 HB3 LYS 41 1HB LYS 41 -9.772 9.840 2.425 328 HG2 LYS 41 2HG LYS 41 -9.922 10.872 4.669 329 HG3 LYS 41 1HG LYS 41 -8.924 12.206 4.082 330 HD2 LYS 41 2HD LYS 41 -11.611 11.385 2.982 331 HD3 LYS 41 1HD LYS 41 -11.303 12.771 4.027 332 HE2 LYS 41 2HE LYS 41 -9.931 12.427 1.377 333 HE3 LYS 41 1HE LYS 41 -11.499 13.204 1.523 334 HZ1 LYS 41 3HZ LYS 41 -8.931 14.091 2.709 335 HZ2 LYS 41 1HZ LYS 41 -10.432 14.753 3.154 336 HZ3 LYS 41 2HZ LYS 41 -9.876 14.895 1.558 337 H GLU 42 H GLU 42 -9.174 7.559 3.086 338 HA GLU 42 HA GLU 42 -9.815 7.336 5.897 339 HB2 GLU 42 2HB GLU 42 -11.509 6.739 4.245 340 HB3 GLU 42 1HB GLU 42 -10.445 5.513 3.570 341 HG2 GLU 42 2HG GLU 42 -10.607 4.172 5.525 342 HG3 GLU 42 1HG GLU 42 -11.436 5.450 6.410 343 H LEU 43 H LEU 43 -7.584 5.916 3.636 344 HA LEU 43 HA LEU 43 -6.800 3.629 5.042 345 HB2 LEU 43 2HB LEU 43 -6.141 4.735 2.658 346 HB3 LEU 43 1HB LEU 43 -4.699 5.110 3.582 347 HG LEU 43 HG LEU 43 -4.217 3.085 2.503 348 HD11 LEU 43 1HD1 LEU 43 -3.571 3.013 4.826 349 HD12 LEU 43 2HD1 LEU 43 -4.091 1.410 4.300 350 HD13 LEU 43 3HD1 LEU 43 -5.167 2.413 5.275 351 HD21 LEU 43 3HD2 LEU 43 -6.510 2.596 1.791 352 HD22 LEU 43 1HD2 LEU 43 -6.887 2.037 3.419 353 HD23 LEU 43 2HD2 LEU 43 -5.701 1.170 2.443 354 H GLY 44 H GLY 44 -5.670 6.988 5.223 355 HA2 GLY 44 2HA GLY 44 -3.313 6.456 6.630 356 HA3 GLY 44 1HA GLY 44 -4.084 8.010 6.561 357 H GLU 45 H GLU 45 -3.493 5.210 8.356 358 HA GLU 45 HA GLU 45 -3.962 6.017 10.844 359 HB2 GLU 45 2HB GLU 45 -6.375 6.235 10.223 360 HB3 GLU 45 1HB GLU 45 -6.386 4.529 9.805 361 HG2 GLU 45 2HG GLU 45 -7.388 4.820 11.957 362 HG3 GLU 45 1HG GLU 45 -5.853 3.980 12.151 363 H SER 46 H SER 46 -4.406 3.424 8.550 364 HA SER 46 HA SER 46 -3.151 1.492 10.299 365 HB2 SER 46 2HB SER 46 -4.002 1.433 7.396 366 HB3 SER 46 1HB SER 46 -3.221 0.072 8.195 367 HG SER 46 HG SER 46 -5.552 1.265 9.267 368 H LEU 47 H LEU 47 -0.991 1.297 10.507 369 HA LEU 47 HA LEU 47 0.448 3.477 9.433 370 HB2 LEU 47 2HB LEU 47 2.403 2.171 10.691 371 HB3 LEU 47 1HB LEU 47 1.261 3.216 11.503 372 HG LEU 47 HG LEU 47 1.739 1.126 12.718 373 HD11 LEU 47 1HD1 LEU 47 -0.542 0.512 13.261 374 HD12 LEU 47 2HD1 LEU 47 -1.120 1.266 11.777 375 HD13 LEU 47 3HD1 LEU 47 -0.417 2.260 13.051 376 HD21 LEU 47 3HD2 LEU 47 0.306 -0.302 10.503 377 HD22 LEU 47 1HD2 LEU 47 1.081 -1.001 11.924 378 HD23 LEU 47 2HD2 LEU 47 2.061 -0.242 10.664 379 H GLU 48 H GLU 48 -0.053 0.468 7.977 380 HA GLU 48 HA GLU 48 2.631 0.307 6.925 381 HB2 GLU 48 2HB GLU 48 0.552 -1.495 6.968 382 HB3 GLU 48 1HB GLU 48 0.507 -0.935 5.319 383 HG2 GLU 48 2HG GLU 48 1.885 -2.854 5.375 384 HG3 GLU 48 1HG GLU 48 2.917 -1.445 5.160 385 H TYR 49 H TYR 49 -0.239 2.080 6.286 386 HA TYR 49 HA TYR 49 0.577 2.804 3.599 387 HB2 TYR 49 2HB TYR 49 -1.703 3.131 3.780 388 HB3 TYR 49 1HB TYR 49 -1.601 3.497 5.493 389 HD1 TYR 49 2HD TYR 49 -1.016 4.962 2.120 390 HD2 TYR 49 1HD TYR 49 -1.656 5.703 6.272 391 HE1 TYR 49 2HE TYR 49 -1.244 7.373 1.671 392 HE2 TYR 49 1HE TYR 49 -1.859 8.103 5.832 393 HH TYR 49 HH TYR 49 -1.330 9.739 4.211 394 H LYS 50 H LYS 50 1.237 3.648 6.809 395 HA LYS 50 HA LYS 50 2.288 6.274 6.191 396 HB2 LYS 50 2HB LYS 50 0.885 5.742 8.180 397 HB3 LYS 50 1HB LYS 50 2.178 4.727 8.773 398 HG2 LYS 50 2HG LYS 50 3.630 6.742 8.830 399 HG3 LYS 50 1HG LYS 50 2.241 7.700 8.345 400 HD2 LYS 50 2HD LYS 50 2.653 6.203 10.915 401 HD3 LYS 50 1HD LYS 50 2.353 7.926 10.685 402 HE2 LYS 50 2HE LYS 50 0.141 7.114 9.607 403 HE3 LYS 50 1HE LYS 50 0.467 5.629 10.483 404 HZ1 LYS 50 3HZ LYS 50 0.371 8.294 11.795 405 HZ2 LYS 50 1HZ LYS 50 0.443 6.774 12.546 406 HZ3 LYS 50 2HZ LYS 50 -0.955 7.236 11.710 407 H ALA 51 H ALA 51 3.260 3.105 6.033 408 HA ALA 51 HA ALA 51 6.020 3.532 6.906 409 HB1 ALA 51 1HB ALA 51 5.013 1.406 7.484 410 HB2 ALA 51 2HB ALA 51 6.315 1.143 6.323 411 HB3 ALA 51 3HB ALA 51 4.632 1.095 5.792 412 H LEU 52 H LEU 52 4.289 4.336 4.354 413 HA LEU 52 HA LEU 52 6.248 3.547 2.322 414 HB2 LEU 52 2HB LEU 52 4.279 2.003 2.540 415 HB3 LEU 52 1HB LEU 52 3.241 3.336 2.074 416 HG LEU 52 HG LEU 52 4.217 3.376 -0.115 417 HD11 LEU 52 1HD1 LEU 52 6.509 2.879 0.328 418 HD12 LEU 52 2HD1 LEU 52 5.898 1.600 -0.725 419 HD13 LEU 52 3HD1 LEU 52 6.085 1.306 1.009 420 HD21 LEU 52 3HD2 LEU 52 3.645 1.078 -0.885 421 HD22 LEU 52 1HD2 LEU 52 2.427 1.797 0.175 422 HD23 LEU 52 2HD2 LEU 52 3.545 0.597 0.813 423 H GLY 53 H GLY 53 5.643 6.018 3.803 424 HA2 GLY 53 2HA GLY 53 4.052 7.778 2.269 425 HA3 GLY 53 1HA GLY 53 5.183 8.240 3.526 426 H ASP 54 H ASP 54 7.518 7.114 2.204 427 HA ASP 54 HA ASP 54 8.133 9.492 0.717 428 HB2 ASP 54 2HB ASP 54 9.798 8.457 2.219 429 HB3 ASP 54 1HB ASP 54 9.792 7.006 1.221 430 H GLU 55 H GLU 55 7.795 6.081 0.109 431 HA GLU 55 HA GLU 55 8.029 6.430 -2.762 432 HB2 GLU 55 2HB GLU 55 7.749 4.058 -0.949 433 HB3 GLU 55 1HB GLU 55 7.425 3.896 -2.671 434 HG2 GLU 55 2HG GLU 55 9.993 5.017 -1.571 435 HG3 GLU 55 1HG GLU 55 9.767 3.309 -1.936 436 H ASP 56 H ASP 56 6.201 8.009 -2.108 437 HA ASP 56 HA ASP 56 3.572 7.223 -1.692 438 HB2 ASP 56 2HB ASP 56 4.208 9.539 -1.515 439 HB3 ASP 56 1HB ASP 56 4.714 9.582 -3.196 440 H ASN 57 H ASN 57 5.411 7.557 -4.721 441 HA ASN 57 HA ASN 57 3.054 7.297 -6.355 442 HB2 ASN 57 2HB ASN 57 5.046 6.847 -8.105 443 HB3 ASN 57 1HB ASN 57 4.598 8.463 -7.571 444 HD21 ASN 57 1HD2 ASN 57 6.324 6.013 -5.740 445 HD22 ASN 57 2HD2 ASN 57 7.759 6.922 -5.528 446 H ILE 58 H ILE 58 5.433 5.158 -4.978 447 HA ILE 58 HA ILE 58 4.704 2.892 -6.533 448 HB ILE 58 HB ILE 58 6.235 3.316 -3.997 449 HG12 ILE 58 2HG1 ILE 58 7.977 2.081 -5.239 450 HG13 ILE 58 1HG1 ILE 58 6.848 1.879 -6.564 451 HG21 ILE 58 1HG2 ILE 58 5.313 0.618 -4.975 452 HG22 ILE 58 2HG2 ILE 58 4.843 1.406 -3.469 453 HG23 ILE 58 3HG2 ILE 58 6.513 0.893 -3.710 454 HD11 ILE 58 3HD1 ILE 58 7.821 4.532 -5.569 455 HD12 ILE 58 1HD1 ILE 58 6.821 4.225 -6.987 456 HD13 ILE 58 2HD1 ILE 58 8.491 3.657 -6.950 457 H ARG 59 H ARG 59 4.011 4.007 -3.283 458 HA ARG 59 HA ARG 59 2.204 2.153 -2.408 459 HB2 ARG 59 2HB ARG 59 2.922 3.594 -0.821 460 HB3 ARG 59 1HB ARG 59 2.782 5.007 -1.843 461 HG2 ARG 59 2HG ARG 59 0.457 5.146 -1.457 462 HG3 ARG 59 1HG ARG 59 0.426 3.580 -0.674 463 HD2 ARG 59 2HD ARG 59 0.380 5.409 0.907 464 HD3 ARG 59 1HD ARG 59 1.777 4.364 1.117 465 HE ARG 59 HE ARG 59 3.158 6.036 0.206 466 HH11 ARG 59 1HH1 ARG 59 -0.168 7.037 0.423 467 HH12 ARG 59 2HH1 ARG 59 0.193 8.737 0.389 468 HH21 ARG 59 1HH2 ARG 59 3.651 8.273 0.160 469 HH22 ARG 59 2HH2 ARG 59 2.350 9.408 0.153 470 H ARG 60 H ARG 60 1.350 5.194 -4.172 471 HA ARG 60 HA ARG 60 -1.404 4.576 -4.323 472 HB2 ARG 60 2HB ARG 60 -1.301 6.147 -6.403 473 HB3 ARG 60 1HB ARG 60 -1.026 6.800 -4.797 474 HG2 ARG 60 2HG ARG 60 1.183 7.175 -5.175 475 HG3 ARG 60 1HG ARG 60 1.319 5.898 -6.362 476 HD2 ARG 60 2HD ARG 60 1.529 8.024 -7.445 477 HD3 ARG 60 1HD ARG 60 0.024 7.258 -7.940 478 HE ARG 60 HE ARG 60 -1.024 8.737 -6.180 479 HH11 ARG 60 1HH1 ARG 60 1.848 9.616 -7.951 480 HH12 ARG 60 2HH1 ARG 60 1.637 11.319 -7.686 481 HH21 ARG 60 1HH2 ARG 60 -1.310 10.929 -5.824 482 HH22 ARG 60 2HH2 ARG 60 -0.145 12.033 -6.453 483 H GLN 61 H GLN 61 1.258 3.845 -6.582 484 HA GLN 61 HA GLN 61 -0.408 2.936 -8.672 485 HB2 GLN 61 2HB GLN 61 2.495 2.458 -8.034 486 HB3 GLN 61 1HB GLN 61 1.715 1.676 -9.404 487 HG2 GLN 61 2HG GLN 61 2.197 4.590 -8.932 488 HG3 GLN 61 1HG GLN 61 2.673 3.594 -10.309 489 HE21 GLN 61 1HE2 GLN 61 0.061 2.291 -10.436 490 HE22 GLN 61 2HE2 GLN 61 -1.050 3.451 -11.048 491 H ILE 62 H ILE 62 1.313 1.019 -6.132 492 HA ILE 62 HA ILE 62 0.377 -1.472 -7.061 493 HB ILE 62 HB ILE 62 0.513 -1.368 -4.137 494 HG12 ILE 62 2HG1 ILE 62 3.167 -1.045 -5.440 495 HG13 ILE 62 1HG1 ILE 62 2.229 0.401 -5.100 496 HG21 ILE 62 1HG2 ILE 62 2.026 -3.246 -4.508 497 HG22 ILE 62 2HG2 ILE 62 2.036 -2.897 -6.234 498 HG23 ILE 62 3HG2 ILE 62 0.545 -3.424 -5.451 499 HD11 ILE 62 3HD1 ILE 62 3.009 -1.685 -3.084 500 HD12 ILE 62 1HD1 ILE 62 2.106 -0.206 -2.750 501 HD13 ILE 62 2HD1 ILE 62 3.783 -0.114 -3.295 502 H PHE 63 H PHE 63 -0.961 0.772 -4.633 503 HA PHE 63 HA PHE 63 -3.117 -0.688 -3.766 504 HB2 PHE 63 2HB PHE 63 -3.018 1.242 -2.591 505 HB3 PHE 63 1HB PHE 63 -2.576 2.189 -3.999 506 HD1 PHE 63 2HD PHE 63 -5.431 0.456 -2.393 507 HD2 PHE 63 1HD PHE 63 -4.195 3.517 -5.094 508 HE1 PHE 63 2HE PHE 63 -7.767 1.221 -2.577 509 HE2 PHE 63 1HE PHE 63 -6.523 4.277 -5.281 510 HZ PHE 63 HZ PHE 63 -8.301 3.117 -4.021 511 H GLU 64 H GLU 64 -2.960 1.401 -6.577 512 HA GLU 64 HA GLU 64 -5.620 1.081 -7.397 513 HB2 GLU 64 2HB GLU 64 -4.007 2.853 -8.161 514 HB3 GLU 64 1HB GLU 64 -3.238 1.636 -9.171 515 HG2 GLU 64 2HG GLU 64 -4.765 2.984 -10.471 516 HG3 GLU 64 1HG GLU 64 -5.332 1.317 -10.380 517 H ASP 65 H ASP 65 -2.707 -0.760 -8.070 518 HA ASP 65 HA ASP 65 -3.961 -2.383 -10.101 519 HB2 ASP 65 2HB ASP 65 -1.613 -1.823 -10.324 520 HB3 ASP 65 1HB ASP 65 -1.252 -2.547 -8.764 521 H PHE 66 H PHE 66 -4.064 -2.453 -6.730 522 HA PHE 66 HA PHE 66 -3.548 -5.110 -6.101 523 HB2 PHE 66 2HB PHE 66 -5.276 -2.996 -4.881 524 HB3 PHE 66 1HB PHE 66 -5.215 -4.605 -4.196 525 HD1 PHE 66 2HD PHE 66 -2.069 -4.639 -5.099 526 HD2 PHE 66 1HD PHE 66 -4.591 -2.245 -2.656 527 HE1 PHE 66 2HE PHE 66 -0.132 -3.992 -3.726 528 HE2 PHE 66 1HE PHE 66 -2.681 -1.611 -1.265 529 HZ PHE 66 HZ PHE 66 -0.430 -2.476 -1.809 530 H LYS 67 H LYS 67 -6.663 -3.596 -6.540 531 HA LYS 67 HA LYS 67 -8.663 -4.274 -7.263 532 HB2 LYS 67 2HB LYS 67 -7.110 -6.486 -8.602 533 HB3 LYS 67 1HB LYS 67 -8.768 -6.037 -8.971 534 HG2 LYS 67 2HG LYS 67 -6.231 -4.620 -9.610 535 HG3 LYS 67 1HG LYS 67 -7.641 -4.917 -10.621 536 HD2 LYS 67 2HD LYS 67 -8.807 -3.339 -8.869 537 HD3 LYS 67 1HD LYS 67 -7.164 -2.788 -8.596 538 HE2 LYS 67 2HE LYS 67 -6.943 -2.302 -11.002 539 HE3 LYS 67 1HE LYS 67 -8.624 -2.783 -11.234 540 HZ1 LYS 67 3HZ LYS 67 -9.310 -1.003 -9.745 541 HZ2 LYS 67 1HZ LYS 67 -8.410 -0.384 -11.042 542 HZ3 LYS 67 2HZ LYS 67 -7.694 -0.539 -9.517 543 HA PRO 68 HA PRO 68 -9.933 -6.777 -3.790 544 HB2 PRO 68 2HB PRO 68 -12.604 -6.600 -4.582 545 HB3 PRO 68 1HB PRO 68 -11.779 -5.546 -3.448 546 HG2 PRO 68 2HG PRO 68 -12.366 -5.164 -6.340 547 HG3 PRO 68 1HG PRO 68 -12.287 -3.952 -5.067 548 HD2 PRO 68 2HD PRO 68 -10.387 -4.180 -6.846 549 HD3 PRO 68 1HD PRO 68 -10.012 -3.778 -5.168 550 H GLU 69 H GLU 69 -12.295 -8.009 -3.860 551 HA GLU 69 HA GLU 69 -13.115 -10.104 -3.981 552 HB2 GLU 69 2HB GLU 69 -12.373 -9.754 -6.889 553 HB3 GLU 69 1HB GLU 69 -13.337 -11.089 -6.274 554 HG2 GLU 69 2HG GLU 69 -14.984 -9.439 -5.428 555 HG3 GLU 69 1HG GLU 69 -14.047 -8.166 -6.211 Start of MODEL 9 1 H ASN 5 H ASN 5 18.533 -4.472 -0.870 2 HA ASN 5 HA ASN 5 17.441 -6.279 1.107 3 HB2 ASN 5 2HB ASN 5 19.585 -5.446 2.129 4 HB3 ASN 5 1HB ASN 5 18.893 -3.830 2.058 5 HD21 ASN 5 1HD2 ASN 5 17.204 -6.819 2.778 6 HD22 ASN 5 2HD2 ASN 5 16.767 -6.399 4.391 7 H GLU 6 H GLU 6 17.852 -2.945 0.266 8 HA GLU 6 HA GLU 6 15.463 -1.869 1.176 9 HB2 GLU 6 2HB GLU 6 16.106 -0.391 -1.044 10 HB3 GLU 6 1HB GLU 6 16.830 -0.185 0.550 11 HG2 GLU 6 2HG GLU 6 18.632 -0.360 -0.967 12 HG3 GLU 6 1HG GLU 6 18.551 -1.885 -0.129 13 H ARG 7 H ARG 7 16.240 -3.330 -1.976 14 HA ARG 7 HA ARG 7 13.692 -2.867 -3.125 15 HB2 ARG 7 2HB ARG 7 15.877 -4.841 -3.777 16 HB3 ARG 7 1HB ARG 7 14.394 -4.715 -4.717 17 HG2 ARG 7 2HG ARG 7 16.556 -2.666 -4.365 18 HG3 ARG 7 1HG ARG 7 15.954 -3.392 -5.862 19 HD2 ARG 7 2HD ARG 7 13.742 -2.318 -5.381 20 HD3 ARG 7 1HD ARG 7 14.505 -1.478 -4.041 21 HE ARG 7 HE ARG 7 16.035 -0.510 -5.792 22 HH11 ARG 7 1HH1 ARG 7 12.756 -1.504 -6.550 23 HH12 ARG 7 2HH1 ARG 7 12.580 -0.367 -7.848 24 HH21 ARG 7 1HH2 ARG 7 15.788 1.000 -7.475 25 HH22 ARG 7 2HH2 ARG 7 14.297 1.055 -8.374 26 H ARG 8 H ARG 8 14.994 -5.408 -1.105 27 HA ARG 8 HA ARG 8 12.744 -7.143 -1.298 28 HB2 ARG 8 2HB ARG 8 14.997 -7.847 -0.426 29 HB3 ARG 8 1HB ARG 8 14.687 -6.881 1.007 30 HG2 ARG 8 2HG ARG 8 12.707 -8.246 1.500 31 HG3 ARG 8 1HG ARG 8 13.063 -9.244 0.091 32 HD2 ARG 8 2HD ARG 8 14.938 -8.856 2.416 33 HD3 ARG 8 1HD ARG 8 13.824 -10.209 2.253 34 HE ARG 8 HE ARG 8 15.269 -10.220 -0.073 35 HH11 ARG 8 1HH1 ARG 8 16.016 -10.390 3.352 36 HH12 ARG 8 2HH1 ARG 8 17.477 -11.302 3.115 37 HH21 ARG 8 1HH2 ARG 8 17.203 -11.422 -0.386 38 HH22 ARG 8 2HH2 ARG 8 18.147 -11.889 1.005 39 H ILE 9 H ILE 9 13.612 -4.386 0.665 40 HA ILE 9 HA ILE 9 11.489 -4.615 2.534 41 HB ILE 9 HB ILE 9 13.318 -2.352 1.754 42 HG12 ILE 9 2HG1 ILE 9 13.104 -3.946 4.305 43 HG13 ILE 9 1HG1 ILE 9 14.219 -4.315 2.991 44 HG21 ILE 9 1HG2 ILE 9 11.193 -1.371 2.480 45 HG22 ILE 9 2HG2 ILE 9 12.459 -1.096 3.674 46 HG23 ILE 9 3HG2 ILE 9 11.243 -2.339 3.952 47 HD11 ILE 9 3HD1 ILE 9 15.388 -3.109 4.693 48 HD12 ILE 9 1HD1 ILE 9 14.171 -1.829 4.681 49 HD13 ILE 9 2HD1 ILE 9 15.208 -2.071 3.274 50 H LEU 10 H LEU 10 11.903 -2.814 -0.504 51 HA LEU 10 HA LEU 10 9.466 -1.424 -0.417 52 HB2 LEU 10 2HB LEU 10 11.424 -1.023 -1.931 53 HB3 LEU 10 1HB LEU 10 10.902 -2.401 -2.877 54 HG LEU 10 HG LEU 10 8.733 -1.229 -3.295 55 HD11 LEU 10 1HD1 LEU 10 8.739 1.251 -2.874 56 HD12 LEU 10 2HD1 LEU 10 10.165 0.995 -1.853 57 HD13 LEU 10 3HD1 LEU 10 8.629 0.243 -1.426 58 HD21 LEU 10 3HD2 LEU 10 11.248 0.219 -4.137 59 HD22 LEU 10 1HD2 LEU 10 9.673 0.361 -4.918 60 HD23 LEU 10 2HD2 LEU 10 10.530 -1.179 -4.936 61 H GLU 11 H GLU 11 10.313 -4.607 -1.748 62 HA GLU 11 HA GLU 11 7.677 -5.198 -2.680 63 HB2 GLU 11 2HB GLU 11 10.084 -6.918 -2.072 64 HB3 GLU 11 1HB GLU 11 8.566 -7.601 -2.632 65 HG2 GLU 11 2HG GLU 11 10.137 -5.519 -4.134 66 HG3 GLU 11 1HG GLU 11 10.276 -7.260 -4.403 67 H GLN 12 H GLN 12 9.389 -5.648 0.339 68 HA GLN 12 HA GLN 12 7.476 -7.290 1.599 69 HB2 GLN 12 2HB GLN 12 9.832 -6.836 2.362 70 HB3 GLN 12 1HB GLN 12 9.272 -5.268 2.921 71 HG2 GLN 12 2HG GLN 12 7.826 -6.264 4.517 72 HG3 GLN 12 1HG GLN 12 8.113 -7.874 3.851 73 HE21 GLN 12 1HE2 GLN 12 10.944 -7.350 3.437 74 HE22 GLN 12 2HE2 GLN 12 11.691 -7.434 4.995 75 H LYS 13 H LYS 13 7.967 -3.766 1.576 76 HA LYS 13 HA LYS 13 5.680 -3.055 3.036 77 HB2 LYS 13 2HB LYS 13 7.046 -1.597 0.760 78 HB3 LYS 13 1HB LYS 13 5.761 -0.904 1.734 79 HG2 LYS 13 2HG LYS 13 7.192 -1.134 3.731 80 HG3 LYS 13 1HG LYS 13 8.496 -1.730 2.696 81 HD2 LYS 13 2HD LYS 13 8.448 0.346 1.417 82 HD3 LYS 13 1HD LYS 13 7.119 0.942 2.406 83 HE2 LYS 13 2HE LYS 13 8.629 0.776 4.390 84 HE3 LYS 13 1HE LYS 13 9.945 0.383 3.286 85 HZ1 LYS 13 3HZ LYS 13 9.961 2.729 3.828 86 HZ2 LYS 13 1HZ LYS 13 8.361 2.907 3.300 87 HZ3 LYS 13 2HZ LYS 13 9.582 2.538 2.190 88 H LYS 14 H LYS 14 6.172 -3.563 -0.435 89 HA LYS 14 HA LYS 14 3.700 -3.045 -1.473 90 HB2 LYS 14 2HB LYS 14 5.808 -3.841 -2.663 91 HB3 LYS 14 1HB LYS 14 5.338 -5.470 -2.205 92 HG2 LYS 14 2HG LYS 14 3.332 -5.348 -3.482 93 HG3 LYS 14 1HG LYS 14 3.599 -3.643 -3.836 94 HD2 LYS 14 2HD LYS 14 5.656 -5.661 -4.612 95 HD3 LYS 14 1HD LYS 14 4.206 -5.469 -5.597 96 HE2 LYS 14 2HE LYS 14 4.712 -3.116 -5.918 97 HE3 LYS 14 1HE LYS 14 6.131 -3.245 -4.877 98 HZ1 LYS 14 3HZ LYS 14 6.696 -3.349 -7.242 99 HZ2 LYS 14 1HZ LYS 14 5.727 -4.733 -7.420 100 HZ3 LYS 14 2HZ LYS 14 7.114 -4.786 -6.439 101 H HIS 15 H HIS 15 4.751 -6.166 -0.057 102 HA HIS 15 HA HIS 15 2.220 -7.388 -0.458 103 HB2 HIS 15 2HB HIS 15 4.150 -8.802 -0.307 104 HB3 HIS 15 1HB HIS 15 4.565 -8.173 1.286 105 HD1 HIS 15 1HD HIS 15 4.402 -10.375 2.551 106 HD2 HIS 15 2HD HIS 15 0.947 -9.448 0.423 107 HE1 HIS 15 1HE HIS 15 2.681 -12.061 3.277 108 HE2 HIS 15 2HE HIS 15 0.704 -11.648 1.769 109 H TYR 16 H TYR 16 3.755 -6.001 2.461 110 HA TYR 16 HA TYR 16 1.591 -6.786 4.146 111 HB2 TYR 16 2HB TYR 16 4.074 -6.225 4.727 112 HB3 TYR 16 1HB TYR 16 3.492 -4.568 4.835 113 HD1 TYR 16 2HD TYR 16 1.181 -7.194 5.748 114 HD2 TYR 16 1HD TYR 16 4.209 -4.595 7.215 115 HE1 TYR 16 2HE TYR 16 0.426 -7.624 8.045 116 HE2 TYR 16 1HE TYR 16 3.466 -5.019 9.519 117 HH TYR 16 HH TYR 16 1.373 -5.747 10.670 118 H PHE 17 H PHE 17 2.172 -4.026 2.119 119 HA PHE 17 HA PHE 17 0.142 -2.372 3.346 120 HB2 PHE 17 2HB PHE 17 2.068 -1.418 2.079 121 HB3 PHE 17 1HB PHE 17 1.400 -2.124 0.617 122 HD1 PHE 17 1HD PHE 17 0.218 -0.039 3.451 123 HD2 PHE 17 2HD PHE 17 0.227 -0.698 -0.762 124 HE1 PHE 17 1HE PHE 17 -1.144 2.000 3.147 125 HE2 PHE 17 2HE PHE 17 -1.145 1.315 -1.078 126 HZ PHE 17 HZ PHE 17 -1.831 2.668 0.868 127 H TRP 18 H TRP 18 0.392 -4.755 0.801 128 HA TRP 18 HA TRP 18 -2.278 -4.338 -0.208 129 HB2 TRP 18 2HB TRP 18 -0.390 -5.421 -1.498 130 HB3 TRP 18 1HB TRP 18 -0.559 -6.812 -0.449 131 HD1 TRP 18 HD TRP 18 -0.891 -8.116 -2.786 132 HE1 TRP 18 1HE TRP 18 -2.990 -8.604 -4.164 133 HE3 TRP 18 3HE TRP 18 -4.098 -4.544 -0.855 134 HZ2 TRP 18 2HZ TRP 18 -5.600 -7.691 -4.408 135 HZ3 TRP 18 3HZ TRP 18 -6.375 -4.453 -1.782 136 HH2 TRP 18 HH TRP 18 -7.106 -5.990 -3.501 137 H LEU 19 H LEU 19 -0.680 -6.150 2.242 138 HA LEU 19 HA LEU 19 -2.847 -7.845 3.000 139 HB2 LEU 19 2HB LEU 19 -0.280 -7.985 3.592 140 HB3 LEU 19 1HB LEU 19 -0.701 -6.883 4.886 141 HG LEU 19 HG LEU 19 -2.234 -9.432 4.596 142 HD11 LEU 19 1HD1 LEU 19 -0.588 -10.459 6.173 143 HD12 LEU 19 2HD1 LEU 19 0.501 -9.118 5.815 144 HD13 LEU 19 3HD1 LEU 19 0.012 -10.224 4.533 145 HD21 LEU 19 3HD2 LEU 19 -2.424 -9.189 7.011 146 HD22 LEU 19 1HD2 LEU 19 -2.986 -7.738 6.182 147 HD23 LEU 19 2HD2 LEU 19 -1.400 -7.753 6.953 148 H LEU 20 H LEU 20 -1.611 -4.734 3.830 149 HA LEU 20 HA LEU 20 -3.473 -3.990 5.838 150 HB2 LEU 20 2HB LEU 20 -1.152 -3.065 5.095 151 HB3 LEU 20 1HB LEU 20 -2.073 -2.105 3.961 152 HG LEU 20 HG LEU 20 -1.511 -0.788 5.862 153 HD11 LEU 20 1HD1 LEU 20 -4.425 -1.530 5.770 154 HD12 LEU 20 2HD1 LEU 20 -3.606 -0.207 4.939 155 HD13 LEU 20 3HD1 LEU 20 -3.787 -0.169 6.691 156 HD21 LEU 20 3HD2 LEU 20 -1.183 -2.651 7.434 157 HD22 LEU 20 1HD2 LEU 20 -2.934 -2.831 7.585 158 HD23 LEU 20 2HD2 LEU 20 -2.143 -1.349 8.126 159 H LEU 21 H LEU 21 -3.286 -3.308 2.327 160 HA LEU 21 HA LEU 21 -5.529 -1.587 2.295 161 HB2 LEU 21 2HB LEU 21 -3.425 -1.708 0.826 162 HB3 LEU 21 1HB LEU 21 -4.232 -2.953 -0.055 163 HG LEU 21 HG LEU 21 -4.677 -1.125 -1.386 164 HD11 LEU 21 1HD1 LEU 21 -6.920 -0.214 -0.991 165 HD12 LEU 21 2HD1 LEU 21 -6.930 -0.964 0.608 166 HD13 LEU 21 3HD1 LEU 21 -6.860 -1.969 -0.843 167 HD21 LEU 21 3HD2 LEU 21 -3.449 0.393 -0.019 168 HD22 LEU 21 1HD2 LEU 21 -4.787 0.523 1.123 169 HD23 LEU 21 2HD2 LEU 21 -4.967 1.143 -0.520 170 H GLN 22 H GLN 22 -5.039 -5.056 1.671 171 HA GLN 22 HA GLN 22 -7.741 -5.390 0.699 172 HB2 GLN 22 2HB GLN 22 -5.953 -6.933 -0.036 173 HB3 GLN 22 1HB GLN 22 -5.790 -7.516 1.618 174 HG2 GLN 22 2HG GLN 22 -8.058 -8.365 1.575 175 HG3 GLN 22 1HG GLN 22 -8.292 -7.721 -0.044 176 HE21 GLN 22 1HE2 GLN 22 -8.789 -9.722 -0.886 177 HE22 GLN 22 2HE2 GLN 22 -7.610 -10.958 -1.128 178 H ARG 23 H ARG 23 -6.052 -5.845 3.764 179 HA ARG 23 HA ARG 23 -8.109 -7.028 5.241 180 HB2 ARG 23 2HB ARG 23 -5.933 -6.870 6.219 181 HB3 ARG 23 1HB ARG 23 -5.908 -5.124 6.043 182 HG2 ARG 23 2HG ARG 23 -8.096 -6.130 7.702 183 HG3 ARG 23 1HG ARG 23 -6.487 -6.456 8.331 184 HD2 ARG 23 2HD ARG 23 -7.471 -3.753 7.442 185 HD3 ARG 23 1HD ARG 23 -7.445 -4.313 9.117 186 HE ARG 23 HE ARG 23 -5.059 -3.885 7.438 187 HH11 ARG 23 1HH1 ARG 23 -6.625 -4.056 10.569 188 HH12 ARG 23 2HH1 ARG 23 -5.166 -3.691 11.436 189 HH21 ARG 23 1HH2 ARG 23 -3.190 -3.432 8.556 190 HH22 ARG 23 2HH2 ARG 23 -3.216 -3.324 10.268 191 H THR 24 H THR 24 -7.432 -3.653 4.519 192 HA THR 24 HA THR 24 -9.749 -2.710 5.922 193 HB THR 24 HB THR 24 -8.128 -1.203 3.870 194 HG1 THR 24 1HG THR 24 -6.608 -1.745 5.344 195 HG21 THR 24 3HG2 THR 24 -8.853 0.745 5.192 196 HG22 THR 24 1HG2 THR 24 -9.804 -0.324 6.223 197 HG23 THR 24 2HG2 THR 24 -10.222 -0.146 4.511 198 H TYR 25 H TYR 25 -8.803 -2.791 2.478 199 HA TYR 25 HA TYR 25 -11.660 -2.668 1.770 200 HB2 TYR 25 2HB TYR 25 -9.316 -1.962 -0.009 201 HB3 TYR 25 1HB TYR 25 -11.018 -1.668 -0.330 202 HD1 TYR 25 2HD TYR 25 -11.585 -0.645 2.594 203 HD2 TYR 25 1HD TYR 25 -8.653 0.313 -0.340 204 HE1 TYR 25 2HE TYR 25 -11.359 1.606 3.551 205 HE2 TYR 25 1HE TYR 25 -8.422 2.566 0.625 206 HH TYR 25 HH TYR 25 -9.494 4.091 1.999 207 H THR 26 H THR 26 -12.116 -4.816 1.781 208 HA THR 26 HA THR 26 -10.373 -6.798 0.660 209 HB THR 26 HB THR 26 -13.184 -7.494 1.319 210 HG1 THR 26 1HG THR 26 -11.319 -6.557 3.277 211 HG21 THR 26 3HG2 THR 26 -11.448 -9.204 0.895 212 HG22 THR 26 1HG2 THR 26 -12.076 -9.305 2.539 213 HG23 THR 26 2HG2 THR 26 -10.502 -8.567 2.243 214 H LYS 27 H LYS 27 -12.469 -8.517 -0.397 215 HA LYS 27 HA LYS 27 -12.531 -7.441 -3.075 216 HB2 LYS 27 2HB LYS 27 -13.665 -9.688 -3.552 217 HB3 LYS 27 1HB LYS 27 -11.983 -9.714 -3.048 218 HG2 LYS 27 2HG LYS 27 -12.468 -10.592 -0.986 219 HG3 LYS 27 1HG LYS 27 -14.121 -9.982 -0.997 220 HD2 LYS 27 2HD LYS 27 -14.115 -12.396 -1.250 221 HD3 LYS 27 1HD LYS 27 -14.700 -11.635 -2.727 222 HE2 LYS 27 2HE LYS 27 -13.209 -13.434 -3.296 223 HE3 LYS 27 1HE LYS 27 -12.451 -11.902 -3.712 224 HZ1 LYS 27 3HZ LYS 27 -10.737 -12.396 -2.418 225 HZ2 LYS 27 1HZ LYS 27 -11.409 -13.926 -2.139 226 HZ3 LYS 27 2HZ LYS 27 -11.743 -12.648 -1.074 227 H THR 28 H THR 28 -14.755 -7.981 -0.433 228 HA THR 28 HA THR 28 -16.787 -6.570 -2.003 229 HB THR 28 HB THR 28 -17.352 -8.979 -1.996 230 HG1 THR 28 1HG THR 28 -18.953 -6.986 -0.890 231 HG21 THR 28 3HG2 THR 28 -17.993 -10.100 0.044 232 HG22 THR 28 1HG2 THR 28 -17.657 -8.645 0.986 233 HG23 THR 28 2HG2 THR 28 -16.335 -9.509 0.201 234 H GLY 29 H GLY 29 -15.424 -7.306 1.165 235 HA2 GLY 29 2HA GLY 29 -17.015 -6.038 2.882 236 HA3 GLY 29 1HA GLY 29 -15.276 -6.005 3.023 237 H LYS 30 H LYS 30 -14.132 -4.191 2.292 238 HA LYS 30 HA LYS 30 -15.725 -1.868 1.477 239 HB2 LYS 30 2HB LYS 30 -13.314 -2.139 2.999 240 HB3 LYS 30 1HB LYS 30 -12.915 -1.321 1.502 241 HG2 LYS 30 2HG LYS 30 -13.423 0.479 2.757 242 HG3 LYS 30 1HG LYS 30 -15.038 0.117 2.141 243 HD2 LYS 30 2HD LYS 30 -15.531 -1.138 4.192 244 HD3 LYS 30 1HD LYS 30 -13.914 -0.767 4.797 245 HE2 LYS 30 2HE LYS 30 -14.447 1.634 4.685 246 HE3 LYS 30 1HE LYS 30 -16.080 1.229 4.161 247 HZ1 LYS 30 3HZ LYS 30 -14.850 0.489 6.763 248 HZ2 LYS 30 1HZ LYS 30 -16.408 0.054 6.259 249 HZ3 LYS 30 2HZ LYS 30 -16.029 1.681 6.521 250 HA PRO 31 HA PRO 31 -14.563 -2.789 -2.778 251 HB2 PRO 31 2HB PRO 31 -15.208 0.071 -3.179 252 HB3 PRO 31 1HB PRO 31 -15.860 -1.348 -4.003 253 HG2 PRO 31 2HG PRO 31 -17.308 0.031 -2.224 254 HG3 PRO 31 1HG PRO 31 -17.443 -1.731 -2.361 255 HD2 PRO 31 2HD PRO 31 -16.013 -0.085 -0.316 256 HD3 PRO 31 1HD PRO 31 -16.923 -1.597 -0.108 257 H LYS 32 H LYS 32 -12.766 -2.371 -4.026 258 HA LYS 32 HA LYS 32 -10.633 -0.892 -2.821 259 HB2 LYS 32 2HB LYS 32 -10.063 -2.947 -3.911 260 HB3 LYS 32 1HB LYS 32 -10.844 -2.457 -5.400 261 HG2 LYS 32 2HG LYS 32 -8.525 -2.283 -5.758 262 HG3 LYS 32 1HG LYS 32 -9.112 -0.637 -5.575 263 HD2 LYS 32 2HD LYS 32 -7.050 -0.850 -4.372 264 HD3 LYS 32 1HD LYS 32 -8.342 -0.707 -3.197 265 HE2 LYS 32 2HE LYS 32 -7.340 -3.352 -4.087 266 HE3 LYS 32 1HE LYS 32 -6.545 -2.471 -2.792 267 HZ1 LYS 32 3HZ LYS 32 -9.365 -3.420 -2.828 268 HZ2 LYS 32 1HZ LYS 32 -8.710 -2.433 -1.621 269 HZ3 LYS 32 2HZ LYS 32 -8.117 -3.997 -1.843 270 HA PRO 33 HA PRO 33 -12.181 3.114 -3.966 271 HB2 PRO 33 2HB PRO 33 -9.194 3.256 -4.152 272 HB3 PRO 33 1HB PRO 33 -10.293 4.468 -3.537 273 HG2 PRO 33 2HG PRO 33 -9.043 2.827 -1.890 274 HG3 PRO 33 1HG PRO 33 -10.711 3.292 -1.607 275 HD2 PRO 33 2HD PRO 33 -9.628 0.725 -2.375 276 HD3 PRO 33 1HD PRO 33 -11.240 1.092 -1.731 277 H SER 34 H SER 34 -12.596 4.268 -5.723 278 HA SER 34 HA SER 34 -11.561 3.410 -8.301 279 HB2 SER 34 2HB SER 34 -13.573 5.589 -7.658 280 HB3 SER 34 1HB SER 34 -13.273 4.866 -9.239 281 HG SER 34 HG SER 34 -13.993 2.867 -8.357 282 H THR 35 H THR 35 -10.618 5.367 -5.902 283 HA THR 35 HA THR 35 -8.665 6.735 -7.524 284 HB THR 35 HB THR 35 -10.264 8.471 -5.684 285 HG1 THR 35 1HG THR 35 -11.015 7.509 -8.150 286 HG21 THR 35 3HG2 THR 35 -7.970 9.082 -6.481 287 HG22 THR 35 1HG2 THR 35 -9.232 10.242 -6.923 288 HG23 THR 35 2HG2 THR 35 -8.616 9.104 -8.124 289 H TRP 36 H TRP 36 -6.803 7.024 -6.393 290 HA TRP 36 HA TRP 36 -6.558 5.740 -3.886 291 HB2 TRP 36 2HB TRP 36 -4.647 5.594 -5.172 292 HB3 TRP 36 1HB TRP 36 -4.686 7.275 -5.624 293 HD1 TRP 36 HD TRP 36 -2.828 8.650 -4.527 294 HE1 TRP 36 1HE TRP 36 -1.402 8.458 -2.385 295 HE3 TRP 36 3HE TRP 36 -5.008 4.500 -2.491 296 HZ2 TRP 36 2HZ TRP 36 -1.264 6.771 -0.128 297 HZ3 TRP 36 3HZ TRP 36 -4.167 3.660 -0.339 298 HH2 TRP 36 HH TRP 36 -2.332 4.777 0.815 299 H ASP 37 H ASP 37 -7.372 8.874 -4.843 300 HA ASP 37 HA ASP 37 -6.672 10.488 -2.705 301 HB2 ASP 37 2HB ASP 37 -8.832 10.428 -4.749 302 HB3 ASP 37 1HB ASP 37 -8.995 11.571 -3.444 303 H LEU 38 H LEU 38 -9.806 8.808 -3.142 304 HA LEU 38 HA LEU 38 -10.742 9.466 -0.542 305 HB2 LEU 38 2HB LEU 38 -12.480 7.690 -1.019 306 HB3 LEU 38 1HB LEU 38 -12.407 9.020 -2.157 307 HG LEU 38 HG LEU 38 -10.719 6.891 -3.089 308 HD11 LEU 38 1HD1 LEU 38 -12.103 5.363 -1.830 309 HD12 LEU 38 2HD1 LEU 38 -12.496 5.229 -3.549 310 HD13 LEU 38 3HD1 LEU 38 -13.566 6.117 -2.462 311 HD21 LEU 38 3HD2 LEU 38 -12.121 7.093 -5.059 312 HD22 LEU 38 1HD2 LEU 38 -11.691 8.683 -4.437 313 HD23 LEU 38 2HD2 LEU 38 -13.302 8.026 -4.140 314 H ALA 39 H ALA 39 -8.902 6.881 -1.892 315 HA ALA 39 HA ALA 39 -9.294 4.964 0.140 316 HB1 ALA 39 1HB ALA 39 -7.033 5.339 -1.807 317 HB2 ALA 39 2HB ALA 39 -8.478 4.324 -2.031 318 HB3 ALA 39 3HB ALA 39 -7.273 3.912 -0.794 319 H SER 40 H SER 40 -6.727 7.278 -0.535 320 HA SER 40 HA SER 40 -5.084 6.558 1.597 321 HB2 SER 40 2HB SER 40 -3.968 8.714 1.173 322 HB3 SER 40 1HB SER 40 -4.246 7.794 -0.299 323 HG SER 40 HG SER 40 -5.654 9.243 -0.968 324 H LYS 41 H LYS 41 -7.597 9.094 1.388 325 HA LYS 41 HA LYS 41 -6.984 10.124 3.962 326 HB2 LYS 41 2HB LYS 41 -9.020 11.400 3.840 327 HB3 LYS 41 1HB LYS 41 -8.202 11.447 2.293 328 HG2 LYS 41 2HG LYS 41 -9.835 10.241 1.234 329 HG3 LYS 41 1HG LYS 41 -10.362 9.446 2.724 330 HD2 LYS 41 2HD LYS 41 -11.979 11.145 1.896 331 HD3 LYS 41 1HD LYS 41 -11.366 11.494 3.517 332 HE2 LYS 41 2HE LYS 41 -9.601 12.924 2.308 333 HE3 LYS 41 1HE LYS 41 -10.677 12.815 0.912 334 HZ1 LYS 41 3HZ LYS 41 -12.455 13.730 2.368 335 HZ2 LYS 41 1HZ LYS 41 -11.175 14.804 2.070 336 HZ3 LYS 41 2HZ LYS 41 -11.279 14.009 3.562 337 H GLU 42 H GLU 42 -9.135 7.544 2.907 338 HA GLU 42 HA GLU 42 -10.222 7.197 5.572 339 HB2 GLU 42 2HB GLU 42 -11.422 6.689 3.370 340 HB3 GLU 42 1HB GLU 42 -10.397 5.269 3.259 341 HG2 GLU 42 2HG GLU 42 -12.453 4.553 4.143 342 HG3 GLU 42 1HG GLU 42 -11.308 4.553 5.480 343 H LEU 43 H LEU 43 -7.526 6.158 3.733 344 HA LEU 43 HA LEU 43 -6.938 3.732 5.129 345 HB2 LEU 43 2HB LEU 43 -6.169 4.815 2.756 346 HB3 LEU 43 1HB LEU 43 -4.763 5.176 3.738 347 HG LEU 43 HG LEU 43 -4.356 3.132 2.573 348 HD11 LEU 43 1HD1 LEU 43 -3.519 3.140 4.829 349 HD12 LEU 43 2HD1 LEU 43 -4.081 1.520 4.416 350 HD13 LEU 43 3HD1 LEU 43 -5.067 2.564 5.441 351 HD21 LEU 43 3HD2 LEU 43 -6.953 2.131 3.724 352 HD22 LEU 43 1HD2 LEU 43 -5.833 1.205 2.726 353 HD23 LEU 43 2HD2 LEU 43 -6.675 2.601 2.047 354 H GLY 44 H GLY 44 -6.105 7.114 5.462 355 HA2 GLY 44 2HA GLY 44 -3.855 6.804 7.125 356 HA3 GLY 44 1HA GLY 44 -4.852 8.242 7.033 357 H GLU 45 H GLU 45 -4.041 5.476 8.755 358 HA GLU 45 HA GLU 45 -5.223 5.858 11.106 359 HB2 GLU 45 2HB GLU 45 -7.426 5.667 10.082 360 HB3 GLU 45 1HB GLU 45 -6.942 4.202 9.244 361 HG2 GLU 45 2HG GLU 45 -8.400 3.678 11.087 362 HG3 GLU 45 1HG GLU 45 -6.792 3.026 11.380 363 H SER 46 H SER 46 -4.616 3.521 8.584 364 HA SER 46 HA SER 46 -3.223 1.776 10.479 365 HB2 SER 46 2HB SER 46 -3.967 1.392 7.581 366 HB3 SER 46 1HB SER 46 -3.120 0.196 8.564 367 HG SER 46 HG SER 46 -5.615 1.300 9.311 368 H LEU 47 H LEU 47 -1.055 1.425 10.410 369 HA LEU 47 HA LEU 47 0.313 3.788 9.550 370 HB2 LEU 47 2HB LEU 47 1.765 1.486 10.746 371 HB3 LEU 47 1HB LEU 47 2.046 3.199 10.950 372 HG LEU 47 HG LEU 47 1.275 2.515 13.028 373 HD11 LEU 47 1HD1 LEU 47 -0.912 3.490 13.345 374 HD12 LEU 47 2HD1 LEU 47 -1.225 3.396 11.611 375 HD13 LEU 47 3HD1 LEU 47 0.035 4.470 12.223 376 HD21 LEU 47 3HD2 LEU 47 -0.605 1.003 13.370 377 HD22 LEU 47 1HD2 LEU 47 0.650 0.267 12.371 378 HD23 LEU 47 2HD2 LEU 47 -0.822 0.884 11.622 379 H GLU 48 H GLU 48 -0.249 0.926 7.885 380 HA GLU 48 HA GLU 48 2.462 0.638 6.935 381 HB2 GLU 48 2HB GLU 48 0.413 -1.100 7.079 382 HB3 GLU 48 1HB GLU 48 0.245 -0.591 5.413 383 HG2 GLU 48 2HG GLU 48 1.602 -2.579 5.585 384 HG3 GLU 48 1HG GLU 48 2.544 -1.207 5.002 385 H TYR 49 H TYR 49 -0.318 2.444 6.173 386 HA TYR 49 HA TYR 49 0.698 3.160 3.545 387 HB2 TYR 49 2HB TYR 49 -1.529 3.397 3.308 388 HB3 TYR 49 1HB TYR 49 -1.797 3.509 5.032 389 HD1 TYR 49 2HD TYR 49 -0.729 5.491 2.057 390 HD2 TYR 49 1HD TYR 49 -2.402 5.550 5.985 391 HE1 TYR 49 2HE TYR 49 -1.301 7.875 1.796 392 HE2 TYR 49 1HE TYR 49 -2.972 7.924 5.738 393 HH TYR 49 HH TYR 49 -3.138 9.475 2.896 394 H LYS 50 H LYS 50 1.081 4.030 6.795 395 HA LYS 50 HA LYS 50 2.364 6.543 6.117 396 HB2 LYS 50 2HB LYS 50 1.149 5.526 8.397 397 HB3 LYS 50 1HB LYS 50 2.857 5.509 8.797 398 HG2 LYS 50 2HG LYS 50 2.944 7.916 8.065 399 HG3 LYS 50 1HG LYS 50 1.183 7.854 7.961 400 HD2 LYS 50 2HD LYS 50 2.702 7.132 10.454 401 HD3 LYS 50 1HD LYS 50 2.121 8.764 10.117 402 HE2 LYS 50 2HE LYS 50 -0.154 7.999 10.060 403 HE3 LYS 50 1HE LYS 50 0.369 6.321 10.200 404 HZ1 LYS 50 3HZ LYS 50 0.813 8.412 12.261 405 HZ2 LYS 50 1HZ LYS 50 1.203 6.766 12.401 406 HZ3 LYS 50 2HZ LYS 50 -0.422 7.250 12.314 407 H ALA 51 H ALA 51 3.055 3.240 6.095 408 HA ALA 51 HA ALA 51 5.897 3.467 6.547 409 HB1 ALA 51 1HB ALA 51 5.997 1.146 5.809 410 HB2 ALA 51 2HB ALA 51 4.310 1.228 5.292 411 HB3 ALA 51 3HB ALA 51 4.719 1.370 7.001 412 H LEU 52 H LEU 52 3.962 4.523 4.165 413 HA LEU 52 HA LEU 52 6.029 4.169 2.111 414 HB2 LEU 52 2HB LEU 52 3.036 4.149 1.731 415 HB3 LEU 52 1HB LEU 52 4.201 4.238 0.430 416 HG LEU 52 HG LEU 52 3.863 1.930 2.340 417 HD11 LEU 52 1HD1 LEU 52 3.180 0.808 0.171 418 HD12 LEU 52 2HD1 LEU 52 3.076 2.437 -0.517 419 HD13 LEU 52 3HD1 LEU 52 2.047 1.982 0.844 420 HD21 LEU 52 3HD2 LEU 52 5.694 2.260 -0.040 421 HD22 LEU 52 1HD2 LEU 52 5.467 0.775 0.891 422 HD23 LEU 52 2HD2 LEU 52 6.195 2.192 1.649 423 H GLY 53 H GLY 53 5.347 6.314 4.103 424 HA2 GLY 53 2HA GLY 53 4.597 8.578 2.480 425 HA3 GLY 53 1HA GLY 53 5.201 8.637 4.132 426 H ASP 54 H ASP 54 6.645 7.148 1.329 427 HA ASP 54 HA ASP 54 8.736 9.109 1.049 428 HB2 ASP 54 2HB ASP 54 10.552 7.576 1.613 429 HB3 ASP 54 1HB ASP 54 9.515 7.804 3.009 430 H GLU 55 H GLU 55 7.094 6.216 0.322 431 HA GLU 55 HA GLU 55 8.063 6.236 -2.459 432 HB2 GLU 55 2HB GLU 55 8.516 4.270 -0.670 433 HB3 GLU 55 1HB GLU 55 6.941 3.766 -1.268 434 HG2 GLU 55 2HG GLU 55 9.100 2.887 -2.376 435 HG3 GLU 55 1HG GLU 55 7.726 3.341 -3.370 436 H ASP 56 H ASP 56 6.144 7.936 -1.916 437 HA ASP 56 HA ASP 56 3.508 7.052 -1.645 438 HB2 ASP 56 2HB ASP 56 3.926 9.372 -1.311 439 HB3 ASP 56 1HB ASP 56 4.610 9.552 -2.920 440 H ASN 57 H ASN 57 5.418 7.554 -4.637 441 HA ASN 57 HA ASN 57 3.062 7.339 -6.259 442 HB2 ASN 57 2HB ASN 57 4.503 7.425 -8.184 443 HB3 ASN 57 1HB ASN 57 5.106 8.587 -7.014 444 HD21 ASN 57 1HD2 ASN 57 6.575 6.998 -5.337 445 HD22 ASN 57 2HD2 ASN 57 7.888 6.303 -6.194 446 H ILE 58 H ILE 58 5.557 5.191 -5.090 447 HA ILE 58 HA ILE 58 4.708 2.874 -6.386 448 HB ILE 58 HB ILE 58 6.232 3.474 -3.908 449 HG12 ILE 58 2HG1 ILE 58 7.836 1.918 -4.985 450 HG13 ILE 58 1HG1 ILE 58 6.662 1.667 -6.256 451 HG21 ILE 58 1HG2 ILE 58 5.141 0.718 -4.462 452 HG22 ILE 58 2HG2 ILE 58 4.713 1.750 -3.095 453 HG23 ILE 58 3HG2 ILE 58 6.356 1.125 -3.250 454 HD11 ILE 58 3HD1 ILE 58 7.938 4.285 -5.609 455 HD12 ILE 58 1HD1 ILE 58 6.824 3.954 -6.935 456 HD13 ILE 58 2HD1 ILE 58 8.419 3.198 -6.916 457 H ARG 59 H ARG 59 3.810 4.246 -3.253 458 HA ARG 59 HA ARG 59 2.022 2.301 -2.413 459 HB2 ARG 59 2HB ARG 59 2.816 3.875 -0.862 460 HB3 ARG 59 1HB ARG 59 2.264 5.231 -1.818 461 HG2 ARG 59 2HG ARG 59 -0.072 4.512 -1.353 462 HG3 ARG 59 1HG ARG 59 0.575 3.293 -0.267 463 HD2 ARG 59 2HD ARG 59 -0.194 5.411 0.807 464 HD3 ARG 59 1HD ARG 59 1.458 4.953 1.163 465 HE ARG 59 HE ARG 59 1.275 6.710 -1.079 466 HH11 ARG 59 1HH1 ARG 59 1.528 6.599 2.422 467 HH12 ARG 59 2HH1 ARG 59 1.914 8.289 2.557 468 HH21 ARG 59 1HH2 ARG 59 1.739 8.874 -0.911 469 HH22 ARG 59 2HH2 ARG 59 2.066 9.570 0.641 470 H ARG 60 H ARG 60 1.185 5.414 -4.045 471 HA ARG 60 HA ARG 60 -1.550 4.841 -4.313 472 HB2 ARG 60 2HB ARG 60 -1.305 6.433 -6.374 473 HB3 ARG 60 1HB ARG 60 -1.059 7.050 -4.745 474 HG2 ARG 60 2HG ARG 60 1.252 7.091 -4.984 475 HG3 ARG 60 1HG ARG 60 1.223 6.081 -6.404 476 HD2 ARG 60 2HD ARG 60 1.496 8.044 -7.453 477 HD3 ARG 60 1HD ARG 60 -0.255 8.123 -7.281 478 HE ARG 60 HE ARG 60 1.060 9.162 -4.997 479 HH11 ARG 60 1HH1 ARG 60 0.058 9.975 -8.251 480 HH12 ARG 60 2HH1 ARG 60 0.213 11.678 -7.977 481 HH21 ARG 60 1HH2 ARG 60 1.324 11.329 -4.674 482 HH22 ARG 60 2HH2 ARG 60 0.933 12.426 -5.956 483 H GLN 61 H GLN 61 1.178 3.937 -6.398 484 HA GLN 61 HA GLN 61 -0.504 3.021 -8.525 485 HB2 GLN 61 2HB GLN 61 2.427 2.773 -7.939 486 HB3 GLN 61 1HB GLN 61 1.698 1.782 -9.198 487 HG2 GLN 61 2HG GLN 61 1.942 4.759 -9.052 488 HG3 GLN 61 1HG GLN 61 2.468 3.658 -10.327 489 HE21 GLN 61 1HE2 GLN 61 -0.032 2.143 -10.281 490 HE22 GLN 61 2HE2 GLN 61 -1.239 3.156 -10.964 491 H ILE 62 H ILE 62 1.374 1.198 -5.991 492 HA ILE 62 HA ILE 62 0.494 -1.319 -6.856 493 HB ILE 62 HB ILE 62 0.513 -1.337 -3.975 494 HG12 ILE 62 2HG1 ILE 62 3.197 -0.613 -5.050 495 HG13 ILE 62 1HG1 ILE 62 2.077 0.671 -4.624 496 HG21 ILE 62 1HG2 ILE 62 2.307 -2.546 -6.063 497 HG22 ILE 62 2HG2 ILE 62 0.847 -3.273 -5.385 498 HG23 ILE 62 3HG2 ILE 62 2.261 -3.008 -4.363 499 HD11 ILE 62 3HD1 ILE 62 1.879 -0.279 -2.360 500 HD12 ILE 62 1HD1 ILE 62 3.528 0.205 -2.764 501 HD13 ILE 62 2HD1 ILE 62 3.075 -1.499 -2.804 502 H PHE 63 H PHE 63 -0.949 1.000 -4.635 503 HA PHE 63 HA PHE 63 -3.043 -0.518 -3.708 504 HB2 PHE 63 2HB PHE 63 -2.986 1.468 -2.618 505 HB3 PHE 63 1HB PHE 63 -2.614 2.374 -4.077 506 HD1 PHE 63 2HD PHE 63 -5.312 0.471 -2.439 507 HD2 PHE 63 1HD PHE 63 -4.303 3.585 -5.158 508 HE1 PHE 63 2HE PHE 63 -7.696 1.014 -2.696 509 HE2 PHE 63 1HE PHE 63 -6.680 4.125 -5.422 510 HZ PHE 63 HZ PHE 63 -8.378 2.831 -4.172 511 H GLU 64 H GLU 64 -3.040 1.559 -6.589 512 HA GLU 64 HA GLU 64 -5.644 0.810 -7.430 513 HB2 GLU 64 2HB GLU 64 -4.694 2.877 -8.214 514 HB3 GLU 64 1HB GLU 64 -3.316 2.043 -8.914 515 HG2 GLU 64 2HG GLU 64 -4.761 2.671 -10.684 516 HG3 GLU 64 1HG GLU 64 -4.877 0.927 -10.487 517 H ASP 65 H ASP 65 -2.433 -0.400 -8.067 518 HA ASP 65 HA ASP 65 -3.255 -2.183 -10.162 519 HB2 ASP 65 2HB ASP 65 -0.675 -1.547 -8.806 520 HB3 ASP 65 1HB ASP 65 -0.802 -3.050 -9.711 521 H PHE 66 H PHE 66 -3.652 -2.376 -6.869 522 HA PHE 66 HA PHE 66 -2.620 -4.898 -6.220 523 HB2 PHE 66 2HB PHE 66 -4.706 -3.105 -5.085 524 HB3 PHE 66 1HB PHE 66 -4.588 -4.735 -4.479 525 HD1 PHE 66 2HD PHE 66 -1.382 -4.604 -4.851 526 HD2 PHE 66 1HD PHE 66 -4.337 -2.267 -2.875 527 HE1 PHE 66 2HE PHE 66 0.298 -3.854 -3.207 528 HE2 PHE 66 1HE PHE 66 -2.690 -1.534 -1.221 529 HZ PHE 66 HZ PHE 66 -0.351 -2.320 -1.397 530 H LYS 67 H LYS 67 -5.905 -3.956 -6.969 531 HA LYS 67 HA LYS 67 -7.699 -5.018 -7.782 532 HB2 LYS 67 2HB LYS 67 -5.721 -7.016 -8.900 533 HB3 LYS 67 1HB LYS 67 -7.370 -6.766 -9.447 534 HG2 LYS 67 2HG LYS 67 -4.957 -5.065 -9.857 535 HG3 LYS 67 1HG LYS 67 -6.149 -5.627 -11.038 536 HD2 LYS 67 2HD LYS 67 -7.800 -4.156 -9.736 537 HD3 LYS 67 1HD LYS 67 -6.374 -3.408 -9.035 538 HE2 LYS 67 2HE LYS 67 -5.550 -2.915 -11.314 539 HE3 LYS 67 1HE LYS 67 -7.066 -3.544 -11.965 540 HZ1 LYS 67 3HZ LYS 67 -8.220 -1.831 -10.595 541 HZ2 LYS 67 1HZ LYS 67 -7.250 -1.189 -11.829 542 HZ3 LYS 67 2HZ LYS 67 -6.707 -1.165 -10.225 543 HA PRO 68 HA PRO 68 -8.148 -7.594 -4.211 544 HB2 PRO 68 2HB PRO 68 -10.883 -7.514 -4.147 545 HB3 PRO 68 1HB PRO 68 -9.833 -6.253 -3.500 546 HG2 PRO 68 2HG PRO 68 -11.388 -6.314 -6.023 547 HG3 PRO 68 1HG PRO 68 -10.943 -4.940 -5.029 548 HD2 PRO 68 2HD PRO 68 -9.774 -5.600 -7.356 549 HD3 PRO 68 1HD PRO 68 -9.037 -4.586 -6.127 550 H GLU 69 H GLU 69 -10.670 -9.028 -4.013 551 HA GLU 69 HA GLU 69 -11.397 -11.130 -4.218 552 HB2 GLU 69 2HB GLU 69 -10.140 -10.906 -6.933 553 HB3 GLU 69 1HB GLU 69 -10.739 -12.452 -6.346 554 HG2 GLU 69 2HG GLU 69 -12.932 -11.254 -5.901 555 HG3 GLU 69 1HG GLU 69 -12.278 -9.940 -6.883 Start of MODEL 10 1 H ASN 5 H ASN 5 18.419 -3.471 -1.201 2 HA ASN 5 HA ASN 5 17.997 -4.371 1.465 3 HB2 ASN 5 2HB ASN 5 20.073 -2.964 1.711 4 HB3 ASN 5 1HB ASN 5 19.086 -1.577 1.265 5 HD21 ASN 5 1HD2 ASN 5 18.001 -4.310 3.142 6 HD22 ASN 5 2HD2 ASN 5 17.770 -3.455 4.616 7 H GLU 6 H GLU 6 17.696 -1.766 -0.745 8 HA GLU 6 HA GLU 6 15.282 -0.656 0.247 9 HB2 GLU 6 2HB GLU 6 15.527 0.125 -2.388 10 HB3 GLU 6 1HB GLU 6 16.292 0.925 -1.015 11 HG2 GLU 6 2HG GLU 6 18.012 0.544 -2.596 12 HG3 GLU 6 1HG GLU 6 18.239 -0.626 -1.322 13 H ARG 7 H ARG 7 16.096 -2.921 -2.341 14 HA ARG 7 HA ARG 7 13.496 -3.296 -3.340 15 HB2 ARG 7 2HB ARG 7 16.029 -4.865 -3.367 16 HB3 ARG 7 1HB ARG 7 14.544 -5.632 -3.918 17 HG2 ARG 7 2HG ARG 7 15.678 -3.053 -4.966 18 HG3 ARG 7 1HG ARG 7 15.783 -4.627 -5.760 19 HD2 ARG 7 2HD ARG 7 13.214 -3.220 -5.045 20 HD3 ARG 7 1HD ARG 7 13.943 -3.202 -6.641 21 HE ARG 7 HE ARG 7 12.660 -5.483 -5.322 22 HH11 ARG 7 1HH1 ARG 7 14.295 -4.184 -8.132 23 HH12 ARG 7 2HH1 ARG 7 13.817 -5.490 -9.173 24 HH21 ARG 7 1HH2 ARG 7 12.051 -7.200 -6.643 25 HH22 ARG 7 2HH2 ARG 7 12.566 -7.242 -8.313 26 H ARG 8 H ARG 8 15.247 -4.819 -0.692 27 HA ARG 8 HA ARG 8 13.262 -6.757 -0.112 28 HB2 ARG 8 2HB ARG 8 15.651 -6.900 0.619 29 HB3 ARG 8 1HB ARG 8 15.346 -5.590 1.750 30 HG2 ARG 8 2HG ARG 8 14.110 -6.907 3.160 31 HG3 ARG 8 1HG ARG 8 13.643 -8.028 1.879 32 HD2 ARG 8 2HD ARG 8 15.199 -9.101 3.375 33 HD3 ARG 8 1HD ARG 8 15.953 -8.871 1.803 34 HE ARG 8 HE ARG 8 16.482 -7.006 4.022 35 HH11 ARG 8 1HH1 ARG 8 17.619 -9.220 1.553 36 HH12 ARG 8 2HH1 ARG 8 19.300 -8.971 1.922 37 HH21 ARG 8 1HH2 ARG 8 18.713 -6.665 4.495 38 HH22 ARG 8 2HH2 ARG 8 19.914 -7.520 3.572 39 H ILE 9 H ILE 9 14.023 -3.548 1.219 40 HA ILE 9 HA ILE 9 11.967 -3.310 3.085 41 HB ILE 9 HB ILE 9 13.309 -1.287 1.295 42 HG12 ILE 9 2HG1 ILE 9 13.524 -1.752 4.271 43 HG13 ILE 9 1HG1 ILE 9 14.662 -2.350 3.062 44 HG21 ILE 9 1HG2 ILE 9 11.088 -0.429 1.796 45 HG22 ILE 9 2HG2 ILE 9 12.305 0.479 2.697 46 HG23 ILE 9 3HG2 ILE 9 11.330 -0.745 3.514 47 HD11 ILE 9 3HD1 ILE 9 15.535 -0.345 4.057 48 HD12 ILE 9 1HD1 ILE 9 14.045 0.525 3.679 49 HD13 ILE 9 2HD1 ILE 9 15.092 -0.028 2.376 50 H LEU 10 H LEU 10 11.972 -2.519 -0.373 51 HA LEU 10 HA LEU 10 9.502 -1.184 -0.407 52 HB2 LEU 10 2HB LEU 10 11.379 -0.953 -2.016 53 HB3 LEU 10 1HB LEU 10 10.977 -2.529 -2.668 54 HG LEU 10 HG LEU 10 8.683 -1.546 -3.223 55 HD11 LEU 10 1HD1 LEU 10 8.681 0.420 -1.879 56 HD12 LEU 10 2HD1 LEU 10 8.756 0.936 -3.564 57 HD13 LEU 10 3HD1 LEU 10 10.210 0.966 -2.568 58 HD21 LEU 10 3HD2 LEU 10 10.389 -2.025 -4.885 59 HD22 LEU 10 1HD2 LEU 10 11.156 -0.467 -4.573 60 HD23 LEU 10 2HD2 LEU 10 9.539 -0.530 -5.281 61 H GLU 11 H GLU 11 10.395 -4.482 -1.427 62 HA GLU 11 HA GLU 11 7.692 -4.978 -2.277 63 HB2 GLU 11 2HB GLU 11 9.965 -6.964 -2.133 64 HB3 GLU 11 1HB GLU 11 8.479 -7.100 -3.070 65 HG2 GLU 11 2HG GLU 11 9.222 -4.933 -4.212 66 HG3 GLU 11 1HG GLU 11 10.803 -5.264 -3.517 67 H GLN 12 H GLN 12 9.617 -5.704 0.555 68 HA GLN 12 HA GLN 12 7.912 -7.518 1.822 69 HB2 GLN 12 2HB GLN 12 10.033 -6.944 2.805 70 HB3 GLN 12 1HB GLN 12 9.571 -5.254 2.931 71 HG2 GLN 12 2HG GLN 12 7.784 -5.948 4.532 72 HG3 GLN 12 1HG GLN 12 8.482 -7.566 4.508 73 HE21 GLN 12 1HE2 GLN 12 10.415 -4.680 4.259 74 HE22 GLN 12 2HE2 GLN 12 11.164 -4.807 5.811 75 H LYS 13 H LYS 13 7.872 -3.964 1.804 76 HA LYS 13 HA LYS 13 5.467 -3.823 3.347 77 HB2 LYS 13 2HB LYS 13 7.106 -1.787 1.861 78 HB3 LYS 13 1HB LYS 13 5.545 -1.361 2.552 79 HG2 LYS 13 2HG LYS 13 7.924 -2.439 4.057 80 HG3 LYS 13 1HG LYS 13 7.350 -0.771 4.064 81 HD2 LYS 13 2HD LYS 13 5.320 -1.404 5.161 82 HD3 LYS 13 1HD LYS 13 5.684 -3.118 4.966 83 HE2 LYS 13 2HE LYS 13 7.610 -2.875 6.455 84 HE3 LYS 13 1HE LYS 13 7.245 -1.158 6.642 85 HZ1 LYS 13 3HZ LYS 13 5.161 -1.692 7.654 86 HZ2 LYS 13 1HZ LYS 13 6.377 -2.552 8.469 87 HZ3 LYS 13 2HZ LYS 13 5.374 -3.342 7.361 88 H LYS 14 H LYS 14 6.249 -3.772 -0.080 89 HA LYS 14 HA LYS 14 3.860 -2.965 -1.179 90 HB2 LYS 14 2HB LYS 14 5.965 -3.561 -2.392 91 HB3 LYS 14 1HB LYS 14 5.579 -5.258 -2.151 92 HG2 LYS 14 2HG LYS 14 3.520 -4.975 -3.445 93 HG3 LYS 14 1HG LYS 14 3.926 -3.282 -3.701 94 HD2 LYS 14 2HD LYS 14 5.846 -5.434 -4.490 95 HD3 LYS 14 1HD LYS 14 4.491 -5.019 -5.538 96 HE2 LYS 14 2HE LYS 14 5.261 -2.724 -5.671 97 HE3 LYS 14 1HE LYS 14 6.581 -3.062 -4.549 98 HZ1 LYS 14 3HZ LYS 14 7.476 -4.640 -6.163 99 HZ2 LYS 14 1HZ LYS 14 7.342 -3.090 -6.837 100 HZ3 LYS 14 2HZ LYS 14 6.213 -4.295 -7.235 101 H HIS 15 H HIS 15 4.758 -6.260 -0.155 102 HA HIS 15 HA HIS 15 2.228 -7.381 -0.741 103 HB2 HIS 15 2HB HIS 15 4.154 -8.821 -0.556 104 HB3 HIS 15 1HB HIS 15 4.420 -8.330 1.114 105 HD1 HIS 15 1HD HIS 15 4.165 -10.639 2.123 106 HD2 HIS 15 2HD HIS 15 0.856 -9.455 -0.107 107 HE1 HIS 15 1HE HIS 15 2.394 -12.369 2.562 108 HE2 HIS 15 2HE HIS 15 0.522 -11.786 0.982 109 H TYR 16 H TYR 16 3.657 -6.307 2.368 110 HA TYR 16 HA TYR 16 1.340 -7.010 3.851 111 HB2 TYR 16 2HB TYR 16 3.824 -6.607 4.621 112 HB3 TYR 16 1HB TYR 16 3.275 -4.952 4.850 113 HD1 TYR 16 1HD TYR 16 0.626 -7.253 5.356 114 HD2 TYR 16 2HD TYR 16 4.029 -5.567 7.276 115 HE1 TYR 16 1HE TYR 16 -0.304 -7.879 7.542 116 HE2 TYR 16 2HE TYR 16 3.104 -6.192 9.469 117 HH TYR 16 HH TYR 16 0.977 -6.715 10.494 118 H PHE 17 H PHE 17 2.108 -4.237 1.937 119 HA PHE 17 HA PHE 17 0.161 -2.504 3.145 120 HB2 PHE 17 2HB PHE 17 2.129 -1.654 1.867 121 HB3 PHE 17 1HB PHE 17 1.408 -2.322 0.417 122 HD1 PHE 17 2HD PHE 17 0.383 -0.165 3.246 123 HD2 PHE 17 1HD PHE 17 0.298 -0.862 -0.954 124 HE1 PHE 17 2HE PHE 17 -0.887 1.942 2.940 125 HE2 PHE 17 1HE PHE 17 -0.978 1.212 -1.281 126 HZ PHE 17 HZ PHE 17 -1.568 2.620 0.657 127 H TRP 18 H TRP 18 0.269 -4.885 0.589 128 HA TRP 18 HA TRP 18 -2.389 -4.346 -0.411 129 HB2 TRP 18 2HB TRP 18 -0.561 -5.545 -1.692 130 HB3 TRP 18 1HB TRP 18 -0.806 -6.910 -0.621 131 HD1 TRP 18 HD TRP 18 -1.155 -8.108 -3.048 132 HE1 TRP 18 1HE TRP 18 -3.309 -8.545 -4.377 133 HE3 TRP 18 3HE TRP 18 -4.292 -4.625 -0.856 134 HZ2 TRP 18 2HZ TRP 18 -5.914 -7.623 -4.491 135 HZ3 TRP 18 3HZ TRP 18 -6.627 -4.488 -1.718 136 HH2 TRP 18 HH TRP 18 -7.390 -5.963 -3.476 137 H LEU 19 H LEU 19 -0.856 -6.279 2.005 138 HA LEU 19 HA LEU 19 -3.139 -7.853 2.697 139 HB2 LEU 19 2HB LEU 19 -0.536 -8.149 3.198 140 HB3 LEU 19 1HB LEU 19 -0.935 -7.228 4.633 141 HG LEU 19 HG LEU 19 -2.441 -9.733 3.944 142 HD11 LEU 19 1HD1 LEU 19 -0.880 -10.895 5.490 143 HD12 LEU 19 2HD1 LEU 19 0.159 -9.466 5.442 144 HD13 LEU 19 3HD1 LEU 19 -0.136 -10.398 3.972 145 HD21 LEU 19 3HD2 LEU 19 -3.360 -8.208 5.627 146 HD22 LEU 19 1HD2 LEU 19 -1.849 -8.314 6.531 147 HD23 LEU 19 2HD2 LEU 19 -2.861 -9.745 6.333 148 H LEU 20 H LEU 20 -1.680 -4.851 3.630 149 HA LEU 20 HA LEU 20 -3.475 -4.086 5.687 150 HB2 LEU 20 2HB LEU 20 -1.150 -3.149 4.901 151 HB3 LEU 20 1HB LEU 20 -2.118 -2.156 3.834 152 HG LEU 20 HG LEU 20 -1.528 -0.888 5.759 153 HD11 LEU 20 1HD1 LEU 20 -3.692 -0.396 4.881 154 HD12 LEU 20 2HD1 LEU 20 -3.785 -0.330 6.641 155 HD13 LEU 20 3HD1 LEU 20 -4.422 -1.726 5.774 156 HD21 LEU 20 3HD2 LEU 20 -1.984 -1.517 7.991 157 HD22 LEU 20 1HD2 LEU 20 -1.193 -2.889 7.228 158 HD23 LEU 20 2HD2 LEU 20 -2.942 -2.917 7.494 159 H LEU 21 H LEU 21 -3.360 -3.335 2.180 160 HA LEU 21 HA LEU 21 -5.540 -1.544 2.277 161 HB2 LEU 21 2HB LEU 21 -3.507 -1.710 0.704 162 HB3 LEU 21 1HB LEU 21 -4.394 -2.919 -0.143 163 HG LEU 21 HG LEU 21 -4.869 -1.117 -1.459 164 HD11 LEU 21 1HD1 LEU 21 -6.927 -0.672 0.685 165 HD12 LEU 21 2HD1 LEU 21 -7.034 -1.841 -0.632 166 HD13 LEU 21 3HD1 LEU 21 -7.011 -0.112 -0.989 167 HD21 LEU 21 3HD2 LEU 21 -3.447 0.352 -0.210 168 HD22 LEU 21 1HD2 LEU 21 -4.715 0.614 0.988 169 HD23 LEU 21 2HD2 LEU 21 -4.939 1.179 -0.672 170 H GLN 22 H GLN 22 -5.160 -5.008 1.541 171 HA GLN 22 HA GLN 22 -7.860 -5.294 0.591 172 HB2 GLN 22 2HB GLN 22 -6.133 -6.868 -0.151 173 HB3 GLN 22 1HB GLN 22 -5.911 -7.423 1.503 174 HG2 GLN 22 2HG GLN 22 -8.204 -8.257 1.541 175 HG3 GLN 22 1HG GLN 22 -8.441 -7.692 -0.110 176 HE21 GLN 22 1HE2 GLN 22 -8.935 -9.783 -0.822 177 HE22 GLN 22 2HE2 GLN 22 -7.725 -11.002 -1.003 178 H ARG 23 H ARG 23 -6.209 -5.871 3.662 179 HA ARG 23 HA ARG 23 -8.332 -7.017 5.078 180 HB2 ARG 23 2HB ARG 23 -6.192 -7.081 6.081 181 HB3 ARG 23 1HB ARG 23 -5.971 -5.346 5.923 182 HG2 ARG 23 2HG ARG 23 -8.234 -6.165 7.598 183 HG3 ARG 23 1HG ARG 23 -6.646 -6.612 8.205 184 HD2 ARG 23 2HD ARG 23 -7.487 -3.838 7.378 185 HD3 ARG 23 1HD ARG 23 -7.404 -4.429 9.039 186 HE ARG 23 HE ARG 23 -5.094 -4.060 7.249 187 HH11 ARG 23 1HH1 ARG 23 -6.478 -4.323 10.456 188 HH12 ARG 23 2HH1 ARG 23 -4.959 -4.045 11.252 189 HH21 ARG 23 1HH2 ARG 23 -3.149 -3.695 8.302 190 HH22 ARG 23 2HH2 ARG 23 -3.110 -3.657 10.016 191 H THR 24 H THR 24 -7.567 -3.697 4.321 192 HA THR 24 HA THR 24 -9.713 -2.656 5.931 193 HB THR 24 HB THR 24 -8.086 -1.226 3.822 194 HG1 THR 24 1HG THR 24 -6.590 -1.772 5.306 195 HG21 THR 24 3HG2 THR 24 -9.763 -0.231 6.126 196 HG22 THR 24 1HG2 THR 24 -10.123 -0.042 4.407 197 HG23 THR 24 2HG2 THR 24 -8.729 0.783 5.119 198 H TYR 25 H TYR 25 -9.022 -2.568 2.422 199 HA TYR 25 HA TYR 25 -11.900 -2.257 1.963 200 HB2 TYR 25 2HB TYR 25 -9.638 -1.843 -0.006 201 HB3 TYR 25 1HB TYR 25 -11.329 -1.407 -0.232 202 HD1 TYR 25 2HD TYR 25 -11.689 -0.290 2.643 203 HD2 TYR 25 1HD TYR 25 -8.754 0.349 -0.369 204 HE1 TYR 25 2HE TYR 25 -11.221 1.930 3.571 205 HE2 TYR 25 1HE TYR 25 -8.283 2.575 0.563 206 HH TYR 25 HH TYR 25 -9.141 4.202 1.940 207 H THR 26 H THR 26 -12.656 -4.258 2.064 208 HA THR 26 HA THR 26 -11.271 -6.554 1.110 209 HB THR 26 HB THR 26 -14.065 -7.032 1.656 210 HG1 THR 26 1HG THR 26 -12.884 -5.878 3.902 211 HG21 THR 26 3HG2 THR 26 -11.551 -7.603 3.236 212 HG22 THR 26 1HG2 THR 26 -12.254 -8.647 2.003 213 HG23 THR 26 2HG2 THR 26 -13.128 -8.346 3.504 214 H LYS 27 H LYS 27 -13.366 -8.114 0.134 215 HA LYS 27 HA LYS 27 -13.497 -7.263 -2.617 216 HB2 LYS 27 2HB LYS 27 -14.779 -9.521 -2.743 217 HB3 LYS 27 1HB LYS 27 -13.057 -9.551 -2.369 218 HG2 LYS 27 2HG LYS 27 -13.490 -9.853 -0.043 219 HG3 LYS 27 1HG LYS 27 -15.213 -9.596 -0.274 220 HD2 LYS 27 2HD LYS 27 -15.056 -11.911 -0.114 221 HD3 LYS 27 1HD LYS 27 -15.035 -11.657 -1.861 222 HE2 LYS 27 2HE LYS 27 -12.551 -11.720 -1.773 223 HE3 LYS 27 1HE LYS 27 -12.660 -12.131 -0.062 224 HZ1 LYS 27 3HZ LYS 27 -13.981 -14.109 -0.745 225 HZ2 LYS 27 1HZ LYS 27 -12.372 -14.123 -1.286 226 HZ3 LYS 27 2HZ LYS 27 -13.623 -13.733 -2.362 227 H THR 28 H THR 28 -15.519 -7.299 0.186 228 HA THR 28 HA THR 28 -17.689 -6.124 -1.367 229 HB THR 28 HB THR 28 -18.368 -8.410 -1.243 230 HG1 THR 28 1HG THR 28 -19.756 -6.457 -0.152 231 HG21 THR 28 3HG2 THR 28 -16.897 -9.113 0.599 232 HG22 THR 28 1HG2 THR 28 -18.560 -9.653 0.841 233 HG23 THR 28 2HG2 THR 28 -17.941 -8.268 1.741 234 H GLY 29 H GLY 29 -16.280 -6.711 1.838 235 HA2 GLY 29 2HA GLY 29 -17.819 -5.204 3.419 236 HA3 GLY 29 1HA GLY 29 -16.095 -5.352 3.635 237 H LYS 30 H LYS 30 -14.758 -3.910 2.282 238 HA LYS 30 HA LYS 30 -16.080 -1.333 1.762 239 HB2 LYS 30 2HB LYS 30 -13.222 -1.914 2.583 240 HB3 LYS 30 1HB LYS 30 -13.788 -0.337 2.054 241 HG2 LYS 30 2HG LYS 30 -15.083 -1.738 4.361 242 HG3 LYS 30 1HG LYS 30 -13.602 -0.805 4.571 243 HD2 LYS 30 2HD LYS 30 -16.103 0.309 3.311 244 HD3 LYS 30 1HD LYS 30 -15.739 0.441 5.033 245 HE2 LYS 30 2HE LYS 30 -13.633 1.591 4.463 246 HE3 LYS 30 1HE LYS 30 -14.071 1.517 2.759 247 HZ1 LYS 30 3HZ LYS 30 -16.008 2.875 3.223 248 HZ2 LYS 30 1HZ LYS 30 -14.600 3.669 3.741 249 HZ3 LYS 30 2HZ LYS 30 -15.620 2.929 4.870 250 HA PRO 31 HA PRO 31 -14.938 -2.405 -2.383 251 HB2 PRO 31 2HB PRO 31 -15.826 0.016 -3.464 252 HB3 PRO 31 1HB PRO 31 -16.760 -1.470 -3.324 253 HG2 PRO 31 2HG PRO 31 -17.078 0.991 -1.879 254 HG3 PRO 31 1HG PRO 31 -18.078 -0.465 -1.809 255 HD2 PRO 31 2HD PRO 31 -16.123 0.501 0.094 256 HD3 PRO 31 1HD PRO 31 -17.246 -0.861 0.256 257 H LYS 32 H LYS 32 -13.062 -2.160 -3.389 258 HA LYS 32 HA LYS 32 -11.085 -0.439 -2.441 259 HB2 LYS 32 2HB LYS 32 -10.503 -2.514 -3.488 260 HB3 LYS 32 1HB LYS 32 -11.246 -2.034 -4.996 261 HG2 LYS 32 2HG LYS 32 -9.423 -0.934 -5.674 262 HG3 LYS 32 1HG LYS 32 -9.166 -0.197 -4.093 263 HD2 LYS 32 2HD LYS 32 -8.460 -3.042 -4.812 264 HD3 LYS 32 1HD LYS 32 -7.319 -1.701 -4.778 265 HE2 LYS 32 2HE LYS 32 -7.015 -2.753 -2.723 266 HE3 LYS 32 1HE LYS 32 -8.044 -1.381 -2.350 267 HZ1 LYS 32 3HZ LYS 32 -8.772 -3.399 -1.221 268 HZ2 LYS 32 1HZ LYS 32 -8.986 -4.175 -2.708 269 HZ3 LYS 32 2HZ LYS 32 -9.948 -2.847 -2.297 270 HA PRO 33 HA PRO 33 -12.341 3.601 -3.684 271 HB2 PRO 33 2HB PRO 33 -9.367 3.467 -4.075 272 HB3 PRO 33 1HB PRO 33 -10.318 4.787 -3.428 273 HG2 PRO 33 2HG PRO 33 -9.095 3.113 -1.815 274 HG3 PRO 33 1HG PRO 33 -10.709 3.703 -1.439 275 HD2 PRO 33 2HD PRO 33 -9.852 1.052 -2.223 276 HD3 PRO 33 1HD PRO 33 -11.355 1.535 -1.436 277 H SER 34 H SER 34 -12.849 4.631 -5.511 278 HA SER 34 HA SER 34 -11.965 3.606 -8.070 279 HB2 SER 34 2HB SER 34 -13.633 6.065 -7.454 280 HB3 SER 34 1HB SER 34 -13.469 5.273 -9.024 281 HG SER 34 HG SER 34 -14.279 3.338 -7.741 282 H THR 35 H THR 35 -10.881 5.734 -5.746 283 HA THR 35 HA THR 35 -8.737 6.698 -7.453 284 HB THR 35 HB THR 35 -10.307 8.703 -5.830 285 HG1 THR 35 1HG THR 35 -10.803 7.687 -8.353 286 HG21 THR 35 3HG2 THR 35 -8.194 8.952 -7.970 287 HG22 THR 35 1HG2 THR 35 -7.998 9.303 -6.254 288 HG23 THR 35 2HG2 THR 35 -9.056 10.311 -7.246 289 H TRP 36 H TRP 36 -6.882 7.182 -6.290 290 HA TRP 36 HA TRP 36 -6.661 5.865 -3.791 291 HB2 TRP 36 2HB TRP 36 -4.819 5.591 -5.130 292 HB3 TRP 36 1HB TRP 36 -4.770 7.269 -5.586 293 HD1 TRP 36 HD TRP 36 -2.907 8.652 -4.459 294 HE1 TRP 36 1HE TRP 36 -1.359 8.347 -2.413 295 HE3 TRP 36 3HE TRP 36 -4.937 4.357 -2.556 296 HZ2 TRP 36 2HZ TRP 36 -1.079 6.511 -0.267 297 HZ3 TRP 36 3HZ TRP 36 -3.977 3.405 -0.511 298 HH2 TRP 36 HH TRP 36 -2.091 4.455 0.606 299 H ASP 37 H ASP 37 -7.402 9.116 -4.582 300 HA ASP 37 HA ASP 37 -6.301 10.476 -2.380 301 HB2 ASP 37 2HB ASP 37 -7.363 11.578 -4.367 302 HB3 ASP 37 1HB ASP 37 -8.934 11.104 -3.729 303 H LEU 38 H LEU 38 -9.529 9.061 -2.821 304 HA LEU 38 HA LEU 38 -10.371 9.612 -0.156 305 HB2 LEU 38 2HB LEU 38 -12.219 7.967 -0.725 306 HB3 LEU 38 1HB LEU 38 -12.110 9.399 -1.727 307 HG LEU 38 HG LEU 38 -10.562 7.275 -2.906 308 HD11 LEU 38 1HD1 LEU 38 -12.399 5.733 -3.437 309 HD12 LEU 38 2HD1 LEU 38 -13.456 6.626 -2.338 310 HD13 LEU 38 3HD1 LEU 38 -12.054 5.766 -1.706 311 HD21 LEU 38 3HD2 LEU 38 -11.928 7.781 -4.830 312 HD22 LEU 38 1HD2 LEU 38 -11.481 9.283 -4.023 313 HD23 LEU 38 2HD2 LEU 38 -13.104 8.622 -3.818 314 H ALA 39 H ALA 39 -8.655 7.094 -1.710 315 HA ALA 39 HA ALA 39 -9.106 5.017 0.173 316 HB1 ALA 39 1HB ALA 39 -7.203 3.940 -0.949 317 HB2 ALA 39 2HB ALA 39 -6.907 5.434 -1.837 318 HB3 ALA 39 3HB ALA 39 -8.418 4.541 -2.082 319 H SER 40 H SER 40 -6.352 7.155 -0.455 320 HA SER 40 HA SER 40 -4.819 6.317 1.736 321 HB2 SER 40 2HB SER 40 -3.571 8.447 1.344 322 HB3 SER 40 1HB SER 40 -3.765 7.451 -0.096 323 HG SER 40 HG SER 40 -5.246 8.852 -0.880 324 H LYS 41 H LYS 41 -7.274 8.784 1.405 325 HA LYS 41 HA LYS 41 -6.811 10.175 3.803 326 HB2 LYS 41 2HB LYS 41 -8.196 10.943 1.894 327 HB3 LYS 41 1HB LYS 41 -9.418 9.764 2.333 328 HG2 LYS 41 2HG LYS 41 -9.999 10.924 4.272 329 HG3 LYS 41 1HG LYS 41 -8.515 11.885 4.250 330 HD2 LYS 41 2HD LYS 41 -11.032 12.536 3.123 331 HD3 LYS 41 1HD LYS 41 -9.531 13.453 3.035 332 HE2 LYS 41 2HE LYS 41 -8.859 12.191 1.054 333 HE3 LYS 41 1HE LYS 41 -10.342 11.248 1.143 334 HZ1 LYS 41 3HZ LYS 41 -11.626 13.066 0.524 335 HZ2 LYS 41 1HZ LYS 41 -10.273 13.163 -0.492 336 HZ3 LYS 41 2HZ LYS 41 -10.403 14.194 0.849 337 H GLU 42 H GLU 42 -8.901 7.402 3.067 338 HA GLU 42 HA GLU 42 -9.729 7.141 5.827 339 HB2 GLU 42 2HB GLU 42 -11.191 6.512 3.889 340 HB3 GLU 42 1HB GLU 42 -10.091 5.188 3.549 341 HG2 GLU 42 2HG GLU 42 -11.347 3.931 4.864 342 HG3 GLU 42 1HG GLU 42 -10.727 4.865 6.226 343 H LEU 43 H LEU 43 -7.030 6.240 4.001 344 HA LEU 43 HA LEU 43 -6.487 3.748 5.381 345 HB2 LEU 43 2HB LEU 43 -5.917 4.729 2.869 346 HB3 LEU 43 1HB LEU 43 -4.385 4.886 3.697 347 HG LEU 43 HG LEU 43 -4.378 2.810 2.530 348 HD11 LEU 43 1HD1 LEU 43 -4.116 1.186 4.344 349 HD12 LEU 43 2HD1 LEU 43 -4.900 2.316 5.449 350 HD13 LEU 43 3HD1 LEU 43 -3.353 2.734 4.718 351 HD21 LEU 43 3HD2 LEU 43 -6.794 2.612 2.240 352 HD22 LEU 43 1HD2 LEU 43 -6.964 2.174 3.938 353 HD23 LEU 43 2HD2 LEU 43 -6.084 1.108 2.838 354 H GLY 44 H GLY 44 -5.899 7.030 5.996 355 HA2 GLY 44 2HA GLY 44 -3.139 7.028 6.482 356 HA3 GLY 44 1HA GLY 44 -4.253 8.220 7.091 357 H GLU 45 H GLU 45 -5.660 5.864 8.560 358 HA GLU 45 HA GLU 45 -4.171 6.194 10.930 359 HB2 GLU 45 2HB GLU 45 -6.715 5.927 10.748 360 HB3 GLU 45 1HB GLU 45 -6.387 4.204 10.613 361 HG2 GLU 45 2HG GLU 45 -5.180 4.309 12.771 362 HG3 GLU 45 1HG GLU 45 -5.664 5.996 12.920 363 H SER 46 H SER 46 -4.483 3.701 8.496 364 HA SER 46 HA SER 46 -2.962 1.806 10.080 365 HB2 SER 46 2HB SER 46 -3.970 1.664 7.228 366 HB3 SER 46 1HB SER 46 -3.102 0.368 8.050 367 HG SER 46 HG SER 46 -5.350 1.396 9.328 368 H LEU 47 H LEU 47 -0.911 2.005 10.258 369 HA LEU 47 HA LEU 47 0.396 4.054 8.816 370 HB2 LEU 47 2HB LEU 47 2.417 3.227 10.244 371 HB3 LEU 47 1HB LEU 47 1.112 4.143 10.963 372 HG LEU 47 HG LEU 47 1.945 2.265 12.357 373 HD11 LEU 47 1HD1 LEU 47 -0.924 1.978 11.498 374 HD12 LEU 47 2HD1 LEU 47 -0.310 3.150 12.661 375 HD13 LEU 47 3HD1 LEU 47 -0.226 1.424 13.022 376 HD21 LEU 47 3HD2 LEU 47 0.634 0.441 10.367 377 HD22 LEU 47 1HD2 LEU 47 1.588 0.007 11.787 378 HD23 LEU 47 2HD2 LEU 47 2.368 0.763 10.395 379 H GLU 48 H GLU 48 -0.136 1.071 7.640 380 HA GLU 48 HA GLU 48 2.569 0.586 6.734 381 HB2 GLU 48 2HB GLU 48 0.463 -1.072 6.921 382 HB3 GLU 48 1HB GLU 48 0.256 -0.557 5.260 383 HG2 GLU 48 2HG GLU 48 1.522 -2.609 5.393 384 HG3 GLU 48 1HG GLU 48 2.483 -1.292 4.728 385 H TYR 49 H TYR 49 -0.112 2.475 5.914 386 HA TYR 49 HA TYR 49 0.865 3.080 3.263 387 HB2 TYR 49 2HB TYR 49 -1.356 3.418 3.093 388 HB3 TYR 49 1HB TYR 49 -1.548 3.508 4.830 389 HD1 TYR 49 1HD TYR 49 -0.799 5.448 1.803 390 HD2 TYR 49 2HD TYR 49 -1.839 5.618 5.918 391 HE1 TYR 49 1HE TYR 49 -1.281 7.849 1.574 392 HE2 TYR 49 2HE TYR 49 -2.322 8.021 5.719 393 HH TYR 49 HH TYR 49 -2.864 9.562 2.975 394 H LYS 50 H LYS 50 1.445 3.960 6.457 395 HA LYS 50 HA LYS 50 2.695 6.491 5.740 396 HB2 LYS 50 2HB LYS 50 1.416 5.600 7.979 397 HB3 LYS 50 1HB LYS 50 3.100 5.392 8.439 398 HG2 LYS 50 2HG LYS 50 3.524 7.750 7.996 399 HG3 LYS 50 1HG LYS 50 1.863 7.943 7.431 400 HD2 LYS 50 2HD LYS 50 2.593 7.032 10.206 401 HD3 LYS 50 1HD LYS 50 2.227 8.706 9.780 402 HE2 LYS 50 2HE LYS 50 0.002 8.111 9.126 403 HE3 LYS 50 1HE LYS 50 0.355 6.393 9.291 404 HZ1 LYS 50 3HZ LYS 50 0.658 6.723 11.671 405 HZ2 LYS 50 1HZ LYS 50 -0.887 7.205 11.176 406 HZ3 LYS 50 2HZ LYS 50 0.293 8.369 11.512 407 H ALA 51 H ALA 51 3.385 3.261 5.539 408 HA ALA 51 HA ALA 51 6.179 3.369 6.360 409 HB1 ALA 51 1HB ALA 51 4.582 1.165 5.048 410 HB2 ALA 51 2HB ALA 51 4.912 1.316 6.773 411 HB3 ALA 51 3HB ALA 51 6.236 1.027 5.645 412 H LEU 52 H LEU 52 4.638 4.688 4.050 413 HA LEU 52 HA LEU 52 6.408 4.003 1.843 414 HB2 LEU 52 2HB LEU 52 3.985 2.788 2.219 415 HB3 LEU 52 1HB LEU 52 3.535 4.138 1.191 416 HG LEU 52 HG LEU 52 4.967 3.370 -0.536 417 HD11 LEU 52 1HD1 LEU 52 6.900 2.654 0.617 418 HD12 LEU 52 2HD1 LEU 52 6.259 1.209 -0.172 419 HD13 LEU 52 3HD1 LEU 52 5.975 1.476 1.549 420 HD21 LEU 52 3HD2 LEU 52 3.492 1.066 0.706 421 HD22 LEU 52 1HD2 LEU 52 4.028 1.140 -0.973 422 HD23 LEU 52 2HD2 LEU 52 2.808 2.276 -0.383 423 H GLY 53 H GLY 53 6.159 6.251 3.591 424 HA2 GLY 53 2HA GLY 53 4.480 8.263 2.439 425 HA3 GLY 53 1HA GLY 53 5.650 8.493 3.726 426 H ASP 54 H ASP 54 7.620 7.178 1.590 427 HA ASP 54 HA ASP 54 8.038 9.715 0.136 428 HB2 ASP 54 2HB ASP 54 9.874 9.023 1.735 429 HB3 ASP 54 1HB ASP 54 10.166 7.640 0.681 430 H GLU 55 H GLU 55 7.834 6.263 -0.066 431 HA GLU 55 HA GLU 55 8.129 6.174 -2.937 432 HB2 GLU 55 2HB GLU 55 7.132 4.100 -0.960 433 HB3 GLU 55 1HB GLU 55 7.391 3.803 -2.669 434 HG2 GLU 55 2HG GLU 55 9.212 2.915 -1.296 435 HG3 GLU 55 1HG GLU 55 9.774 4.164 -2.407 436 H ASP 56 H ASP 56 6.319 8.093 -2.326 437 HA ASP 56 HA ASP 56 3.685 7.423 -1.782 438 HB2 ASP 56 2HB ASP 56 4.555 9.628 -3.664 439 HB3 ASP 56 1HB ASP 56 3.031 9.522 -2.806 440 H ASN 57 H ASN 57 5.272 7.714 -4.957 441 HA ASN 57 HA ASN 57 2.810 7.348 -6.368 442 HB2 ASN 57 2HB ASN 57 4.390 7.105 -8.370 443 HB3 ASN 57 1HB ASN 57 4.483 8.627 -7.485 444 HD21 ASN 57 1HD2 ASN 57 6.088 5.618 -8.178 445 HD22 ASN 57 2HD2 ASN 57 7.654 6.107 -7.631 446 H ILE 58 H ILE 58 5.462 5.217 -5.329 447 HA ILE 58 HA ILE 58 4.646 2.915 -6.722 448 HB ILE 58 HB ILE 58 6.141 3.379 -4.171 449 HG12 ILE 58 2HG1 ILE 58 7.735 1.764 -5.412 450 HG13 ILE 58 1HG1 ILE 58 6.725 2.100 -6.811 451 HG21 ILE 58 1HG2 ILE 58 5.202 0.654 -5.039 452 HG22 ILE 58 2HG2 ILE 58 4.697 1.526 -3.591 453 HG23 ILE 58 3HG2 ILE 58 6.367 0.987 -3.756 454 HD11 ILE 58 3HD1 ILE 58 8.146 4.168 -5.183 455 HD12 ILE 58 1HD1 ILE 58 7.218 4.437 -6.658 456 HD13 ILE 58 2HD1 ILE 58 8.714 3.500 -6.712 457 H ARG 59 H ARG 59 3.887 4.130 -3.521 458 HA ARG 59 HA ARG 59 2.124 2.224 -2.608 459 HB2 ARG 59 2HB ARG 59 3.007 3.821 -1.155 460 HB3 ARG 59 1HB ARG 59 2.414 5.159 -2.114 461 HG2 ARG 59 2HG ARG 59 0.131 4.617 -1.452 462 HG3 ARG 59 1HG ARG 59 0.733 3.290 -0.484 463 HD2 ARG 59 2HD ARG 59 0.315 5.257 0.839 464 HD3 ARG 59 1HD ARG 59 2.018 4.795 0.878 465 HE ARG 59 HE ARG 59 1.660 6.561 -1.218 466 HH11 ARG 59 1HH1 ARG 59 1.643 6.640 2.295 467 HH12 ARG 59 2HH1 ARG 59 1.875 8.359 2.345 468 HH21 ARG 59 1HH2 ARG 59 1.925 8.728 -1.140 469 HH22 ARG 59 2HH2 ARG 59 2.059 9.515 0.369 470 H ARG 60 H ARG 60 1.195 5.325 -4.187 471 HA ARG 60 HA ARG 60 -1.533 4.926 -4.460 472 HB2 ARG 60 2HB ARG 60 0.026 5.789 -6.868 473 HB3 ARG 60 1HB ARG 60 -1.519 6.389 -6.297 474 HG2 ARG 60 2HG ARG 60 -0.447 7.644 -4.564 475 HG3 ARG 60 1HG ARG 60 1.112 6.920 -4.954 476 HD2 ARG 60 2HD ARG 60 1.116 9.038 -5.967 477 HD3 ARG 60 1HD ARG 60 0.874 7.858 -7.248 478 HE ARG 60 HE ARG 60 -1.459 8.451 -7.300 479 HH11 ARG 60 1HH1 ARG 60 0.591 10.605 -5.435 480 HH12 ARG 60 2HH1 ARG 60 -0.487 11.955 -5.619 481 HH21 ARG 60 1HH2 ARG 60 -2.842 10.199 -7.535 482 HH22 ARG 60 2HH2 ARG 60 -2.435 11.711 -6.797 483 H GLN 61 H GLN 61 1.041 3.818 -6.571 484 HA GLN 61 HA GLN 61 -0.728 2.929 -8.589 485 HB2 GLN 61 2HB GLN 61 1.465 3.708 -9.190 486 HB3 GLN 61 1HB GLN 61 2.234 2.509 -8.158 487 HG2 GLN 61 2HG GLN 61 2.470 1.739 -10.352 488 HG3 GLN 61 1HG GLN 61 1.219 0.749 -9.609 489 HE21 GLN 61 1HE2 GLN 61 -0.727 3.073 -9.904 490 HE22 GLN 61 2HE2 GLN 61 -1.197 3.004 -11.564 491 H ILE 62 H ILE 62 1.174 1.156 -6.103 492 HA ILE 62 HA ILE 62 0.420 -1.412 -6.976 493 HB ILE 62 HB ILE 62 0.369 -1.244 -4.053 494 HG12 ILE 62 2HG1 ILE 62 3.020 -0.626 -5.306 495 HG13 ILE 62 1HG1 ILE 62 1.943 0.660 -4.783 496 HG21 ILE 62 1HG2 ILE 62 2.055 -2.993 -4.276 497 HG22 ILE 62 2HG2 ILE 62 2.138 -2.695 -6.010 498 HG23 ILE 62 3HG2 ILE 62 0.650 -3.318 -5.294 499 HD11 ILE 62 3HD1 ILE 62 3.558 0.165 -3.062 500 HD12 ILE 62 1HD1 ILE 62 3.063 -1.528 -3.058 501 HD13 ILE 62 2HD1 ILE 62 1.933 -0.281 -2.519 502 H PHE 63 H PHE 63 -1.168 0.793 -4.681 503 HA PHE 63 HA PHE 63 -3.320 -0.771 -3.958 504 HB2 PHE 63 2HB PHE 63 -3.260 1.111 -2.709 505 HB3 PHE 63 1HB PHE 63 -2.807 2.121 -4.071 506 HD1 PHE 63 1HD PHE 63 -5.638 0.242 -2.634 507 HD2 PHE 63 2HD PHE 63 -4.441 3.497 -5.102 508 HE1 PHE 63 1HE PHE 63 -7.973 0.985 -2.780 509 HE2 PHE 63 2HE PHE 63 -6.776 4.229 -5.259 510 HZ PHE 63 HZ PHE 63 -8.554 2.991 -4.088 511 H GLU 64 H GLU 64 -3.041 1.420 -6.661 512 HA GLU 64 HA GLU 64 -5.623 1.188 -7.672 513 HB2 GLU 64 2HB GLU 64 -3.820 2.869 -8.246 514 HB3 GLU 64 1HB GLU 64 -3.106 1.640 -9.275 515 HG2 GLU 64 2HG GLU 64 -5.101 1.595 -10.643 516 HG3 GLU 64 1HG GLU 64 -5.872 2.776 -9.585 517 H ASP 65 H ASP 65 -2.723 -0.742 -8.286 518 HA ASP 65 HA ASP 65 -3.998 -2.288 -10.364 519 HB2 ASP 65 2HB ASP 65 -1.620 -1.786 -10.540 520 HB3 ASP 65 1HB ASP 65 -1.311 -2.621 -9.021 521 H PHE 66 H PHE 66 -3.814 -2.516 -6.957 522 HA PHE 66 HA PHE 66 -3.221 -5.061 -6.287 523 HB2 PHE 66 2HB PHE 66 -5.183 -3.094 -5.201 524 HB3 PHE 66 1HB PHE 66 -5.112 -4.699 -4.508 525 HD1 PHE 66 1HD PHE 66 -1.920 -4.644 -5.170 526 HD2 PHE 66 2HD PHE 66 -4.678 -2.295 -2.941 527 HE1 PHE 66 1HE PHE 66 -0.110 -3.954 -3.652 528 HE2 PHE 66 2HE PHE 66 -2.887 -1.603 -1.415 529 HZ PHE 66 HZ PHE 66 -0.587 -2.429 -1.777 530 H LYS 67 H LYS 67 -6.516 -4.016 -7.030 531 HA LYS 67 HA LYS 67 -8.407 -5.080 -7.634 532 HB2 LYS 67 2HB LYS 67 -6.529 -7.248 -8.607 533 HB3 LYS 67 1HB LYS 67 -8.236 -7.145 -8.996 534 HG2 LYS 67 2HG LYS 67 -6.119 -5.155 -9.784 535 HG3 LYS 67 1HG LYS 67 -6.877 -6.352 -10.834 536 HD2 LYS 67 2HD LYS 67 -9.044 -5.278 -10.482 537 HD3 LYS 67 1HD LYS 67 -8.274 -4.079 -9.439 538 HE2 LYS 67 2HE LYS 67 -7.776 -4.520 -12.379 539 HE3 LYS 67 1HE LYS 67 -8.575 -3.137 -11.630 540 HZ1 LYS 67 3HZ LYS 67 -5.716 -3.904 -11.369 541 HZ2 LYS 67 1HZ LYS 67 -6.450 -2.658 -10.479 542 HZ3 LYS 67 2HZ LYS 67 -6.339 -2.542 -12.166 543 HA PRO 68 HA PRO 68 -8.901 -7.243 -3.777 544 HB2 PRO 68 2HB PRO 68 -11.645 -7.069 -3.753 545 HB3 PRO 68 1HB PRO 68 -10.554 -5.804 -3.186 546 HG2 PRO 68 2HG PRO 68 -12.091 -5.994 -5.710 547 HG3 PRO 68 1HG PRO 68 -11.583 -4.570 -4.822 548 HD2 PRO 68 2HD PRO 68 -10.444 -5.450 -7.086 549 HD3 PRO 68 1HD PRO 68 -9.652 -4.394 -5.926 550 H GLU 69 H GLU 69 -11.551 -8.529 -3.526 551 HA GLU 69 HA GLU 69 -12.483 -10.574 -3.652 552 HB2 GLU 69 2HB GLU 69 -11.638 -10.265 -6.260 553 HB3 GLU 69 1HB GLU 69 -10.821 -11.742 -5.775 554 HG2 GLU 69 2HG GLU 69 -13.780 -11.271 -5.500 555 HG3 GLU 69 1HG GLU 69 -13.031 -12.082 -6.869 Start of MODEL 11 1 H ASN 5 H ASN 5 18.393 -3.658 -0.578 2 HA ASN 5 HA ASN 5 17.660 -5.532 1.566 3 HB2 ASN 5 2HB ASN 5 20.004 -4.708 1.838 4 HB3 ASN 5 1HB ASN 5 19.367 -3.070 1.923 5 HD21 ASN 5 1HD2 ASN 5 17.792 -5.860 3.310 6 HD22 ASN 5 2HD2 ASN 5 18.030 -5.411 4.955 7 H GLU 6 H GLU 6 17.780 -2.270 0.481 8 HA GLU 6 HA GLU 6 15.523 -1.319 1.957 9 HB2 GLU 6 2HB GLU 6 16.031 0.461 -0.103 10 HB3 GLU 6 1HB GLU 6 16.817 0.487 1.474 11 HG2 GLU 6 2HG GLU 6 18.582 0.526 -0.112 12 HG3 GLU 6 1HG GLU 6 18.529 -1.097 0.517 13 H ARG 7 H ARG 7 16.195 -2.360 -1.359 14 HA ARG 7 HA ARG 7 13.590 -2.032 -2.392 15 HB2 ARG 7 2HB ARG 7 15.810 -3.949 -3.119 16 HB3 ARG 7 1HB ARG 7 14.317 -3.798 -4.034 17 HG2 ARG 7 2HG ARG 7 16.465 -1.734 -3.656 18 HG3 ARG 7 1HG ARG 7 15.963 -2.522 -5.153 19 HD2 ARG 7 2HD ARG 7 13.652 -1.475 -4.626 20 HD3 ARG 7 1HD ARG 7 14.565 -0.408 -3.565 21 HE ARG 7 HE ARG 7 15.950 -0.187 -5.845 22 HH11 ARG 7 1HH1 ARG 7 12.506 -0.034 -5.248 23 HH12 ARG 7 2HH1 ARG 7 12.187 1.057 -6.559 24 HH21 ARG 7 1HH2 ARG 7 15.560 1.250 -7.548 25 HH22 ARG 7 2HH2 ARG 7 13.949 1.826 -7.859 26 H ARG 8 H ARG 8 15.205 -4.664 -0.697 27 HA ARG 8 HA ARG 8 13.122 -6.557 -0.917 28 HB2 ARG 8 2HB ARG 8 15.628 -6.809 -0.177 29 HB3 ARG 8 1HB ARG 8 14.990 -6.479 1.426 30 HG2 ARG 8 2HG ARG 8 13.526 -8.405 1.275 31 HG3 ARG 8 1HG ARG 8 14.076 -8.714 -0.374 32 HD2 ARG 8 2HD ARG 8 16.402 -8.928 0.559 33 HD3 ARG 8 1HD ARG 8 15.683 -8.882 2.167 34 HE ARG 8 HE ARG 8 15.065 -10.970 0.170 35 HH11 ARG 8 1HH1 ARG 8 15.744 -9.943 3.432 36 HH12 ARG 8 2HH1 ARG 8 15.551 -11.518 4.119 37 HH21 ARG 8 1HH2 ARG 8 14.857 -13.083 1.043 38 HH22 ARG 8 2HH2 ARG 8 15.044 -13.315 2.756 39 H ILE 9 H ILE 9 13.938 -4.091 1.484 40 HA ILE 9 HA ILE 9 11.870 -4.600 3.317 41 HB ILE 9 HB ILE 9 13.452 -2.137 2.601 42 HG12 ILE 9 2HG1 ILE 9 13.263 -3.688 5.183 43 HG13 ILE 9 1HG1 ILE 9 14.450 -4.008 3.920 44 HG21 ILE 9 1HG2 ILE 9 11.271 -2.265 4.694 45 HG22 ILE 9 2HG2 ILE 9 11.246 -1.296 3.220 46 HG23 ILE 9 3HG2 ILE 9 12.419 -0.944 4.489 47 HD11 ILE 9 3HD1 ILE 9 15.258 -1.686 4.161 48 HD12 ILE 9 1HD1 ILE 9 15.460 -2.662 5.621 49 HD13 ILE 9 2HD1 ILE 9 14.151 -1.482 5.520 50 H LEU 10 H LEU 10 11.992 -2.533 0.442 51 HA LEU 10 HA LEU 10 9.395 -1.455 0.722 52 HB2 LEU 10 2HB LEU 10 11.457 -0.699 -0.685 53 HB3 LEU 10 1HB LEU 10 10.776 -1.746 -1.913 54 HG LEU 10 HG LEU 10 9.079 0.383 -0.671 55 HD11 LEU 10 1HD1 LEU 10 9.816 1.949 -2.343 56 HD12 LEU 10 2HD1 LEU 10 10.955 0.761 -2.979 57 HD13 LEU 10 3HD1 LEU 10 11.188 1.425 -1.366 58 HD21 LEU 10 3HD2 LEU 10 8.023 -1.283 -2.140 59 HD22 LEU 10 1HD2 LEU 10 9.167 -0.864 -3.420 60 HD23 LEU 10 2HD2 LEU 10 7.994 0.332 -2.857 61 H GLU 11 H GLU 11 10.652 -4.316 -0.911 62 HA GLU 11 HA GLU 11 8.232 -4.935 -2.300 63 HB2 GLU 11 2HB GLU 11 10.648 -6.593 -1.554 64 HB3 GLU 11 1HB GLU 11 9.288 -7.256 -2.448 65 HG2 GLU 11 2HG GLU 11 11.105 -5.020 -3.313 66 HG3 GLU 11 1HG GLU 11 11.040 -6.658 -3.968 67 H GLN 12 H GLN 12 9.637 -5.956 0.783 68 HA GLN 12 HA GLN 12 7.636 -7.768 1.547 69 HB2 GLN 12 2HB GLN 12 9.884 -7.260 2.705 70 HB3 GLN 12 1HB GLN 12 9.033 -5.929 3.477 71 HG2 GLN 12 2HG GLN 12 8.956 -7.698 5.013 72 HG3 GLN 12 1HG GLN 12 7.353 -7.639 4.281 73 HE21 GLN 12 1HE2 GLN 12 6.980 -9.813 4.820 74 HE22 GLN 12 2HE2 GLN 12 7.726 -11.105 3.946 75 H LYS 13 H LYS 13 7.962 -4.283 1.941 76 HA LYS 13 HA LYS 13 5.529 -3.940 3.365 77 HB2 LYS 13 2HB LYS 13 7.343 -2.046 1.887 78 HB3 LYS 13 1HB LYS 13 5.813 -1.508 2.569 79 HG2 LYS 13 2HG LYS 13 7.967 -2.870 4.165 80 HG3 LYS 13 1HG LYS 13 7.796 -1.118 4.030 81 HD2 LYS 13 2HD LYS 13 5.491 -1.326 4.942 82 HD3 LYS 13 1HD LYS 13 5.771 -3.053 5.163 83 HE2 LYS 13 2HE LYS 13 7.557 -0.977 6.394 84 HE3 LYS 13 1HE LYS 13 6.088 -1.538 7.190 85 HZ1 LYS 13 3HZ LYS 13 8.012 -3.537 6.246 86 HZ2 LYS 13 1HZ LYS 13 6.962 -3.587 7.574 87 HZ3 LYS 13 2HZ LYS 13 8.380 -2.660 7.645 88 H LYS 14 H LYS 14 6.401 -3.758 -0.062 89 HA LYS 14 HA LYS 14 4.052 -2.891 -1.188 90 HB2 LYS 14 2HB LYS 14 6.281 -3.679 -2.264 91 HB3 LYS 14 1HB LYS 14 5.539 -5.270 -2.281 92 HG2 LYS 14 2HG LYS 14 3.779 -4.523 -3.717 93 HG3 LYS 14 1HG LYS 14 4.313 -2.850 -3.585 94 HD2 LYS 14 2HD LYS 14 6.231 -4.907 -4.590 95 HD3 LYS 14 1HD LYS 14 4.964 -4.320 -5.669 96 HE2 LYS 14 2HE LYS 14 5.744 -2.064 -5.463 97 HE3 LYS 14 1HE LYS 14 6.884 -2.507 -4.196 98 HZ1 LYS 14 3HZ LYS 14 8.148 -3.795 -5.778 99 HZ2 LYS 14 1HZ LYS 14 7.942 -2.223 -6.386 100 HZ3 LYS 14 2HZ LYS 14 7.008 -3.495 -7.005 101 H HIS 15 H HIS 15 4.821 -6.283 -0.309 102 HA HIS 15 HA HIS 15 2.225 -7.233 -0.986 103 HB2 HIS 15 2HB HIS 15 4.073 -8.792 -0.983 104 HB3 HIS 15 1HB HIS 15 4.397 -8.478 0.718 105 HD1 HIS 15 1HD HIS 15 3.987 -10.814 1.611 106 HD2 HIS 15 2HD HIS 15 0.808 -9.392 -0.658 107 HE1 HIS 15 1HE HIS 15 2.123 -12.465 1.942 108 HE2 HIS 15 2HE HIS 15 0.329 -11.734 0.345 109 H TYR 16 H TYR 16 3.701 -6.137 2.040 110 HA TYR 16 HA TYR 16 1.394 -6.956 3.542 111 HB2 TYR 16 2HB TYR 16 3.975 -5.633 4.227 112 HB3 TYR 16 1HB TYR 16 2.630 -5.512 5.362 113 HD1 TYR 16 1HD TYR 16 1.310 -8.078 5.122 114 HD2 TYR 16 2HD TYR 16 5.476 -7.199 5.139 115 HE1 TYR 16 1HE TYR 16 1.768 -10.326 5.958 116 HE2 TYR 16 2HE TYR 16 5.945 -9.470 5.975 117 HH TYR 16 HH TYR 16 3.553 -11.936 6.019 118 H PHE 17 H PHE 17 2.235 -4.152 1.740 119 HA PHE 17 HA PHE 17 0.312 -2.464 3.033 120 HB2 PHE 17 2HB PHE 17 2.218 -1.538 1.726 121 HB3 PHE 17 1HB PHE 17 1.507 -2.212 0.263 122 HD1 PHE 17 1HD PHE 17 0.251 -0.224 3.172 123 HD2 PHE 17 2HD PHE 17 0.508 -0.634 -1.071 124 HE1 PHE 17 1HE PHE 17 -1.095 1.811 2.891 125 HE2 PHE 17 2HE PHE 17 -0.848 1.389 -1.341 126 HZ PHE 17 HZ PHE 17 -1.662 2.613 0.634 127 H TRP 18 H TRP 18 0.378 -4.822 0.481 128 HA TRP 18 HA TRP 18 -2.335 -4.318 -0.398 129 HB2 TRP 18 2HB TRP 18 -0.572 -5.408 -1.826 130 HB3 TRP 18 1HB TRP 18 -0.657 -6.809 -0.774 131 HD1 TRP 18 HD TRP 18 -1.168 -8.103 -3.089 132 HE1 TRP 18 1HE TRP 18 -3.369 -8.580 -4.314 133 HE3 TRP 18 3HE TRP 18 -4.233 -4.565 -0.878 134 HZ2 TRP 18 2HZ TRP 18 -5.983 -7.678 -4.354 135 HZ3 TRP 18 3HZ TRP 18 -6.601 -4.476 -1.648 136 HH2 TRP 18 HH TRP 18 -7.430 -5.999 -3.323 137 H LEU 19 H LEU 19 -0.650 -6.313 1.897 138 HA LEU 19 HA LEU 19 -2.843 -7.950 2.681 139 HB2 LEU 19 2HB LEU 19 -0.221 -8.035 3.153 140 HB3 LEU 19 1HB LEU 19 -0.685 -7.143 4.587 141 HG LEU 19 HG LEU 19 -2.406 -9.391 4.401 142 HD11 LEU 19 1HD1 LEU 19 -0.748 -11.202 4.498 143 HD12 LEU 19 2HD1 LEU 19 0.521 -10.044 4.088 144 HD13 LEU 19 3HD1 LEU 19 -0.755 -10.405 2.924 145 HD21 LEU 19 3HD2 LEU 19 -0.042 -8.919 6.197 146 HD22 LEU 19 1HD2 LEU 19 -1.458 -9.912 6.538 147 HD23 LEU 19 2HD2 LEU 19 -1.620 -8.159 6.415 148 H LEU 20 H LEU 20 -1.548 -4.872 3.532 149 HA LEU 20 HA LEU 20 -3.268 -4.173 5.697 150 HB2 LEU 20 2HB LEU 20 -1.042 -3.188 5.112 151 HB3 LEU 20 1HB LEU 20 -1.760 -2.429 3.712 152 HG LEU 20 HG LEU 20 -1.389 -0.811 5.434 153 HD11 LEU 20 1HD1 LEU 20 -4.312 -1.452 5.055 154 HD12 LEU 20 2HD1 LEU 20 -3.328 -0.252 4.207 155 HD13 LEU 20 3HD1 LEU 20 -3.736 -0.019 5.905 156 HD21 LEU 20 3HD2 LEU 20 -1.242 -1.992 7.403 157 HD22 LEU 20 1HD2 LEU 20 -2.825 -2.763 7.186 158 HD23 LEU 20 2HD2 LEU 20 -2.730 -1.045 7.599 159 H LEU 21 H LEU 21 -3.289 -3.420 2.203 160 HA LEU 21 HA LEU 21 -5.579 -1.735 2.360 161 HB2 LEU 21 2HB LEU 21 -3.489 -1.706 0.863 162 HB3 LEU 21 1HB LEU 21 -4.285 -2.903 -0.097 163 HG LEU 21 HG LEU 21 -4.892 -1.097 -1.321 164 HD11 LEU 21 1HD1 LEU 21 -6.883 -0.656 0.902 165 HD12 LEU 21 2HD1 LEU 21 -7.049 -1.819 -0.416 166 HD13 LEU 21 3HD1 LEU 21 -7.012 -0.091 -0.768 167 HD21 LEU 21 3HD2 LEU 21 -3.399 0.330 -0.096 168 HD22 LEU 21 1HD2 LEU 21 -4.610 0.581 1.161 169 HD23 LEU 21 2HD2 LEU 21 -4.894 1.192 -0.472 170 H GLN 22 H GLN 22 -5.004 -5.128 1.693 171 HA GLN 22 HA GLN 22 -7.628 -5.657 0.648 172 HB2 GLN 22 2HB GLN 22 -5.862 -7.211 0.115 173 HB3 GLN 22 1HB GLN 22 -5.528 -7.487 1.819 174 HG2 GLN 22 2HG GLN 22 -7.748 -8.507 2.075 175 HG3 GLN 22 1HG GLN 22 -8.036 -8.270 0.353 176 HE21 GLN 22 1HE2 GLN 22 -6.941 -9.578 -1.135 177 HE22 GLN 22 2HE2 GLN 22 -6.131 -11.034 -0.659 178 H ARG 23 H ARG 23 -6.056 -6.144 3.802 179 HA ARG 23 HA ARG 23 -8.152 -7.174 5.270 180 HB2 ARG 23 2HB ARG 23 -6.025 -6.951 6.343 181 HB3 ARG 23 1HB ARG 23 -5.986 -5.220 6.057 182 HG2 ARG 23 2HG ARG 23 -8.044 -5.093 7.539 183 HG3 ARG 23 1HG ARG 23 -7.658 -6.743 8.008 184 HD2 ARG 23 2HD ARG 23 -6.757 -5.003 9.531 185 HD3 ARG 23 1HD ARG 23 -5.551 -6.086 8.857 186 HE ARG 23 HE ARG 23 -4.691 -4.343 7.562 187 HH11 ARG 23 1HH1 ARG 23 -7.573 -3.322 9.292 188 HH12 ARG 23 2HH1 ARG 23 -7.226 -1.637 9.071 189 HH21 ARG 23 1HH2 ARG 23 -4.295 -2.205 7.234 190 HH22 ARG 23 2HH2 ARG 23 -5.341 -1.020 7.892 191 H THR 24 H THR 24 -7.457 -3.826 4.456 192 HA THR 24 HA THR 24 -9.581 -2.842 6.115 193 HB THR 24 HB THR 24 -8.164 -1.218 4.022 194 HG1 THR 24 1HG THR 24 -6.499 -2.207 5.175 195 HG21 THR 24 3HG2 THR 24 -8.472 0.531 5.755 196 HG22 THR 24 1HG2 THR 24 -9.349 -0.652 6.732 197 HG23 THR 24 2HG2 THR 24 -9.998 -0.144 5.156 198 H TYR 25 H TYR 25 -8.945 -2.689 2.608 199 HA TYR 25 HA TYR 25 -11.827 -2.333 2.216 200 HB2 TYR 25 2HB TYR 25 -9.632 -1.889 0.184 201 HB3 TYR 25 1HB TYR 25 -11.315 -1.403 0.055 202 HD1 TYR 25 2HD TYR 25 -11.305 -0.407 3.112 203 HD2 TYR 25 1HD TYR 25 -8.897 0.365 -0.315 204 HE1 TYR 25 2HE TYR 25 -10.696 1.788 4.028 205 HE2 TYR 25 1HE TYR 25 -8.287 2.558 0.606 206 HH TYR 25 HH TYR 25 -8.932 4.129 2.146 207 H THR 26 H THR 26 -12.412 -4.446 2.444 208 HA THR 26 HA THR 26 -11.055 -6.595 1.136 209 HB THR 26 HB THR 26 -13.734 -7.208 2.099 210 HG1 THR 26 1HG THR 26 -11.907 -5.969 3.919 211 HG21 THR 26 3HG2 THR 26 -11.920 -8.845 1.846 212 HG22 THR 26 1HG2 THR 26 -12.489 -8.773 3.515 213 HG23 THR 26 2HG2 THR 26 -10.974 -7.989 3.064 214 H LYS 27 H LYS 27 -13.004 -8.266 0.269 215 HA LYS 27 HA LYS 27 -13.616 -7.453 -2.327 216 HB2 LYS 27 2HB LYS 27 -15.302 -9.474 -0.890 217 HB3 LYS 27 1HB LYS 27 -14.749 -9.477 -2.559 218 HG2 LYS 27 2HG LYS 27 -12.388 -9.692 -1.452 219 HG3 LYS 27 1HG LYS 27 -13.322 -10.298 -0.085 220 HD2 LYS 27 2HD LYS 27 -14.338 -11.998 -1.483 221 HD3 LYS 27 1HD LYS 27 -13.498 -11.368 -2.901 222 HE2 LYS 27 2HE LYS 27 -11.343 -11.833 -1.605 223 HE3 LYS 27 1HE LYS 27 -12.348 -12.786 -0.514 224 HZ1 LYS 27 3HZ LYS 27 -11.977 -13.232 -3.428 225 HZ2 LYS 27 1HZ LYS 27 -13.067 -14.099 -2.461 226 HZ3 LYS 27 2HZ LYS 27 -11.396 -14.212 -2.174 227 H THR 28 H THR 28 -15.598 -7.477 0.599 228 HA THR 28 HA THR 28 -17.548 -5.774 -0.783 229 HB THR 28 HB THR 28 -18.505 -7.994 -0.673 230 HG1 THR 28 1HG THR 28 -20.171 -6.689 -0.350 231 HG21 THR 28 3HG2 THR 28 -17.974 -7.844 2.295 232 HG22 THR 28 1HG2 THR 28 -17.223 -8.946 1.143 233 HG23 THR 28 2HG2 THR 28 -18.943 -9.089 1.506 234 H GLY 29 H GLY 29 -15.957 -6.636 2.239 235 HA2 GLY 29 2HA GLY 29 -17.189 -5.218 4.105 236 HA3 GLY 29 1HA GLY 29 -15.456 -5.381 4.056 237 H LYS 30 H LYS 30 -14.537 -3.873 2.200 238 HA LYS 30 HA LYS 30 -15.850 -1.263 2.222 239 HB2 LYS 30 2HB LYS 30 -12.995 -1.856 3.005 240 HB3 LYS 30 1HB LYS 30 -13.511 -0.255 2.507 241 HG2 LYS 30 2HG LYS 30 -14.757 -1.747 4.804 242 HG3 LYS 30 1HG LYS 30 -13.379 -0.661 4.981 243 HD2 LYS 30 2HD LYS 30 -16.055 0.131 3.828 244 HD3 LYS 30 1HD LYS 30 -15.552 0.416 5.496 245 HE2 LYS 30 2HE LYS 30 -13.557 1.645 4.525 246 HE3 LYS 30 1HE LYS 30 -14.390 1.576 2.976 247 HZ1 LYS 30 3HZ LYS 30 -15.523 2.799 5.432 248 HZ2 LYS 30 1HZ LYS 30 -16.207 2.830 3.884 249 HZ3 LYS 30 2HZ LYS 30 -14.763 3.674 4.199 250 HA PRO 31 HA PRO 31 -15.100 -2.025 -2.161 251 HB2 PRO 31 2HB PRO 31 -15.654 0.911 -2.188 252 HB3 PRO 31 1HB PRO 31 -16.342 -0.377 -3.191 253 HG2 PRO 31 2HG PRO 31 -17.750 0.706 -1.199 254 HG3 PRO 31 1HG PRO 31 -17.857 -1.025 -1.562 255 HD2 PRO 31 2HD PRO 31 -16.456 0.362 0.671 256 HD3 PRO 31 1HD PRO 31 -17.248 -1.227 0.644 257 H LYS 32 H LYS 32 -13.013 -2.146 -2.892 258 HA LYS 32 HA LYS 32 -10.943 -0.443 -2.189 259 HB2 LYS 32 2HB LYS 32 -10.505 -2.560 -3.317 260 HB3 LYS 32 1HB LYS 32 -11.295 -1.982 -4.767 261 HG2 LYS 32 2HG LYS 32 -9.459 -0.941 -5.483 262 HG3 LYS 32 1HG LYS 32 -9.141 -0.229 -3.905 263 HD2 LYS 32 2HD LYS 32 -8.509 -3.073 -4.646 264 HD3 LYS 32 1HD LYS 32 -7.348 -1.751 -4.708 265 HE2 LYS 32 2HE LYS 32 -6.911 -2.660 -2.639 266 HE3 LYS 32 1HE LYS 32 -8.046 -1.388 -2.227 267 HZ1 LYS 32 3HZ LYS 32 -8.736 -4.255 -2.575 268 HZ2 LYS 32 1HZ LYS 32 -9.808 -3.019 -2.145 269 HZ3 LYS 32 2HZ LYS 32 -8.563 -3.459 -1.090 270 HA PRO 33 HA PRO 33 -12.366 3.395 -3.408 271 HB2 PRO 33 2HB PRO 33 -9.485 3.912 -3.974 272 HB3 PRO 33 1HB PRO 33 -10.605 4.834 -2.983 273 HG2 PRO 33 2HG PRO 33 -8.866 3.317 -1.805 274 HG3 PRO 33 1HG PRO 33 -10.541 3.306 -1.255 275 HD2 PRO 33 2HD PRO 33 -9.099 1.348 -2.974 276 HD3 PRO 33 1HD PRO 33 -10.187 1.043 -1.621 277 H SER 34 H SER 34 -12.928 4.582 -5.086 278 HA SER 34 HA SER 34 -12.383 3.623 -7.752 279 HB2 SER 34 2HB SER 34 -13.893 6.095 -6.853 280 HB3 SER 34 1HB SER 34 -14.017 5.294 -8.423 281 HG SER 34 HG SER 34 -14.863 3.465 -7.340 282 H THR 35 H THR 35 -11.136 5.863 -5.553 283 HA THR 35 HA THR 35 -9.023 6.595 -7.408 284 HB THR 35 HB THR 35 -10.341 8.779 -5.792 285 HG1 THR 35 1HG THR 35 -11.044 7.730 -8.287 286 HG21 THR 35 3HG2 THR 35 -7.994 9.075 -6.499 287 HG22 THR 35 1HG2 THR 35 -9.073 10.235 -7.277 288 HG23 THR 35 2HG2 THR 35 -8.487 8.835 -8.173 289 H TRP 36 H TRP 36 -7.085 6.904 -6.348 290 HA TRP 36 HA TRP 36 -6.869 5.797 -3.765 291 HB2 TRP 36 2HB TRP 36 -5.061 5.314 -5.057 292 HB3 TRP 36 1HB TRP 36 -4.982 6.908 -5.743 293 HD1 TRP 36 HD TRP 36 -3.108 8.416 -4.849 294 HE1 TRP 36 1HE TRP 36 -1.444 8.313 -2.889 295 HE3 TRP 36 3HE TRP 36 -5.069 4.379 -2.377 296 HZ2 TRP 36 2HZ TRP 36 -1.046 6.728 -0.579 297 HZ3 TRP 36 3HZ TRP 36 -3.986 3.652 -0.293 298 HH2 TRP 36 HH TRP 36 -2.024 4.803 0.584 299 H ASP 37 H ASP 37 -7.740 8.879 -4.683 300 HA ASP 37 HA ASP 37 -6.467 10.442 -2.678 301 HB2 ASP 37 2HB ASP 37 -7.794 11.096 -4.874 302 HB3 ASP 37 1HB ASP 37 -9.162 11.153 -3.769 303 H LEU 38 H LEU 38 -9.792 9.131 -2.933 304 HA LEU 38 HA LEU 38 -10.534 9.806 -0.278 305 HB2 LEU 38 2HB LEU 38 -12.422 8.239 -0.647 306 HB3 LEU 38 1HB LEU 38 -12.248 9.419 -1.931 307 HG LEU 38 HG LEU 38 -10.759 7.122 -2.679 308 HD11 LEU 38 1HD1 LEU 38 -12.628 5.473 -2.828 309 HD12 LEU 38 2HD1 LEU 38 -13.548 6.504 -1.719 310 HD13 LEU 38 3HD1 LEU 38 -12.042 5.763 -1.184 311 HD21 LEU 38 3HD2 LEU 38 -12.355 7.088 -4.538 312 HD22 LEU 38 1HD2 LEU 38 -11.742 8.710 -4.207 313 HD23 LEU 38 2HD2 LEU 38 -13.364 8.251 -3.679 314 H ALA 39 H ALA 39 -8.747 7.269 -1.693 315 HA ALA 39 HA ALA 39 -9.175 5.261 0.273 316 HB1 ALA 39 1HB ALA 39 -8.483 4.605 -1.898 317 HB2 ALA 39 2HB ALA 39 -7.175 4.212 -0.765 318 HB3 ALA 39 3HB ALA 39 -7.041 5.634 -1.803 319 H SER 40 H SER 40 -6.448 7.419 -0.450 320 HA SER 40 HA SER 40 -4.899 6.646 1.743 321 HB2 SER 40 2HB SER 40 -3.707 8.807 1.358 322 HB3 SER 40 1HB SER 40 -3.869 7.810 -0.081 323 HG SER 40 HG SER 40 -4.884 9.399 -0.969 324 H LYS 41 H LYS 41 -7.380 9.125 1.391 325 HA LYS 41 HA LYS 41 -7.149 10.388 3.867 326 HB2 LYS 41 2HB LYS 41 -8.699 11.154 2.115 327 HB3 LYS 41 1HB LYS 41 -9.656 9.698 2.309 328 HG2 LYS 41 2HG LYS 41 -9.981 10.483 4.737 329 HG3 LYS 41 1HG LYS 41 -9.419 12.048 4.146 330 HD2 LYS 41 2HD LYS 41 -11.812 12.028 4.036 331 HD3 LYS 41 1HD LYS 41 -11.190 11.938 2.387 332 HE2 LYS 41 2HE LYS 41 -12.894 10.340 2.437 333 HE3 LYS 41 1HE LYS 41 -11.422 9.397 2.645 334 HZ1 LYS 41 3HZ LYS 41 -12.812 8.547 4.273 335 HZ2 LYS 41 1HZ LYS 41 -13.487 10.062 4.646 336 HZ3 LYS 41 2HZ LYS 41 -11.912 9.694 5.139 337 H GLU 42 H GLU 42 -8.976 7.475 3.002 338 HA GLU 42 HA GLU 42 -9.955 7.109 5.687 339 HB2 GLU 42 2HB GLU 42 -11.041 6.492 3.388 340 HB3 GLU 42 1HB GLU 42 -10.061 5.042 3.513 341 HG2 GLU 42 2HG GLU 42 -11.656 4.121 4.718 342 HG3 GLU 42 1HG GLU 42 -11.358 5.316 5.982 343 H LEU 43 H LEU 43 -7.209 6.230 3.891 344 HA LEU 43 HA LEU 43 -6.604 3.761 5.223 345 HB2 LEU 43 2HB LEU 43 -5.947 4.791 2.816 346 HB3 LEU 43 1HB LEU 43 -4.510 5.227 3.716 347 HG LEU 43 HG LEU 43 -4.008 3.184 2.669 348 HD11 LEU 43 1HD1 LEU 43 -4.829 2.591 5.502 349 HD12 LEU 43 2HD1 LEU 43 -3.277 3.223 4.959 350 HD13 LEU 43 3HD1 LEU 43 -3.761 1.587 4.521 351 HD21 LEU 43 3HD2 LEU 43 -5.427 1.217 2.741 352 HD22 LEU 43 1HD2 LEU 43 -6.291 2.590 2.046 353 HD23 LEU 43 2HD2 LEU 43 -6.617 2.092 3.707 354 H GLY 44 H GLY 44 -5.686 7.142 5.553 355 HA2 GLY 44 2HA GLY 44 -3.160 6.628 6.677 356 HA3 GLY 44 1HA GLY 44 -3.968 8.165 6.704 357 H GLU 45 H GLU 45 -3.379 5.219 8.304 358 HA GLU 45 HA GLU 45 -3.250 6.134 10.818 359 HB2 GLU 45 2HB GLU 45 -5.734 6.346 10.779 360 HB3 GLU 45 1HB GLU 45 -5.850 4.635 10.377 361 HG2 GLU 45 2HG GLU 45 -4.670 4.135 12.531 362 HG3 GLU 45 1HG GLU 45 -4.811 5.844 12.933 363 H SER 46 H SER 46 -4.129 3.477 8.716 364 HA SER 46 HA SER 46 -2.704 1.529 10.246 365 HB2 SER 46 2HB SER 46 -3.564 1.606 7.352 366 HB3 SER 46 1HB SER 46 -2.854 0.194 8.135 367 HG SER 46 HG SER 46 -4.905 1.186 9.596 368 H LEU 47 H LEU 47 -0.587 1.745 10.591 369 HA LEU 47 HA LEU 47 0.885 3.655 9.171 370 HB2 LEU 47 2HB LEU 47 2.890 2.582 10.469 371 HB3 LEU 47 1HB LEU 47 1.718 3.618 11.248 372 HG LEU 47 HG LEU 47 2.402 1.659 12.588 373 HD11 LEU 47 1HD1 LEU 47 0.262 2.749 12.978 374 HD12 LEU 47 2HD1 LEU 47 0.191 1.017 13.317 375 HD13 LEU 47 3HD1 LEU 47 -0.504 1.654 11.827 376 HD21 LEU 47 3HD2 LEU 47 1.843 -0.546 12.003 377 HD22 LEU 47 1HD2 LEU 47 2.624 0.164 10.590 378 HD23 LEU 47 2HD2 LEU 47 0.866 -0.015 10.629 379 H GLU 48 H GLU 48 0.251 0.622 7.931 380 HA GLU 48 HA GLU 48 2.866 0.259 6.746 381 HB2 GLU 48 2HB GLU 48 0.455 -1.250 6.764 382 HB3 GLU 48 1HB GLU 48 0.749 -0.824 5.105 383 HG2 GLU 48 2HG GLU 48 1.714 -2.949 5.534 384 HG3 GLU 48 1HG GLU 48 3.005 -1.774 5.329 385 H TYR 49 H TYR 49 0.160 2.258 6.354 386 HA TYR 49 HA TYR 49 0.737 2.976 3.611 387 HB2 TYR 49 2HB TYR 49 -1.535 3.205 4.073 388 HB3 TYR 49 1HB TYR 49 -1.257 3.762 5.710 389 HD1 TYR 49 2HD TYR 49 -0.828 4.890 2.160 390 HD2 TYR 49 1HD TYR 49 -1.576 5.974 6.215 391 HE1 TYR 49 2HE TYR 49 -1.206 7.220 1.482 392 HE2 TYR 49 1HE TYR 49 -1.963 8.298 5.541 393 HH TYR 49 HH TYR 49 -1.405 9.802 3.721 394 H LYS 50 H LYS 50 1.763 3.776 6.778 395 HA LYS 50 HA LYS 50 3.017 6.246 5.867 396 HB2 LYS 50 2HB LYS 50 2.125 5.333 8.379 397 HB3 LYS 50 1HB LYS 50 3.880 5.455 8.490 398 HG2 LYS 50 2HG LYS 50 3.834 7.749 7.779 399 HG3 LYS 50 1HG LYS 50 2.103 7.652 7.448 400 HD2 LYS 50 2HD LYS 50 3.383 7.358 10.168 401 HD3 LYS 50 1HD LYS 50 2.580 8.807 9.554 402 HE2 LYS 50 2HE LYS 50 0.600 7.124 9.129 403 HE3 LYS 50 1HE LYS 50 1.414 6.195 10.388 404 HZ1 LYS 50 3HZ LYS 50 1.172 7.948 11.928 405 HZ2 LYS 50 1HZ LYS 50 -0.339 7.801 11.171 406 HZ3 LYS 50 2HZ LYS 50 0.707 9.053 10.727 407 H ALA 51 H ALA 51 3.589 3.014 5.709 408 HA ALA 51 HA ALA 51 6.430 3.096 6.376 409 HB1 ALA 51 1HB ALA 51 5.149 1.133 7.017 410 HB2 ALA 51 2HB ALA 51 6.371 0.701 5.825 411 HB3 ALA 51 3HB ALA 51 4.683 0.865 5.339 412 H LEU 52 H LEU 52 4.588 4.006 3.899 413 HA LEU 52 HA LEU 52 6.518 3.296 1.819 414 HB2 LEU 52 2HB LEU 52 4.768 1.595 1.892 415 HB3 LEU 52 1HB LEU 52 3.531 2.830 1.773 416 HG LEU 52 HG LEU 52 4.230 3.325 -0.486 417 HD11 LEU 52 1HD1 LEU 52 6.299 1.213 0.047 418 HD12 LEU 52 2HD1 LEU 52 6.578 2.908 -0.383 419 HD13 LEU 52 3HD1 LEU 52 5.886 1.797 -1.570 420 HD21 LEU 52 3HD2 LEU 52 2.557 1.626 -0.219 421 HD22 LEU 52 1HD2 LEU 52 3.792 0.405 0.097 422 HD23 LEU 52 2HD2 LEU 52 3.656 1.128 -1.507 423 H GLY 53 H GLY 53 5.801 5.737 3.356 424 HA2 GLY 53 2HA GLY 53 4.322 7.448 1.582 425 HA3 GLY 53 1HA GLY 53 5.197 7.944 3.021 426 H ASP 54 H ASP 54 7.633 6.520 1.884 427 HA ASP 54 HA ASP 54 8.762 8.835 0.648 428 HB2 ASP 54 2HB ASP 54 9.999 7.196 2.137 429 HB3 ASP 54 1HB ASP 54 9.966 6.066 0.791 430 H GLU 55 H GLU 55 7.504 5.774 -0.368 431 HA GLU 55 HA GLU 55 7.872 6.538 -3.185 432 HB2 GLU 55 2HB GLU 55 7.394 3.892 -1.865 433 HB3 GLU 55 1HB GLU 55 7.007 4.132 -3.561 434 HG2 GLU 55 2HG GLU 55 9.686 4.249 -2.234 435 HG3 GLU 55 1HG GLU 55 9.138 3.180 -3.515 436 H ASP 56 H ASP 56 6.135 8.158 -2.582 437 HA ASP 56 HA ASP 56 3.498 7.422 -2.046 438 HB2 ASP 56 2HB ASP 56 4.170 9.754 -1.943 439 HB3 ASP 56 1HB ASP 56 4.538 9.755 -3.659 440 H ASN 57 H ASN 57 5.230 7.695 -5.144 441 HA ASN 57 HA ASN 57 2.819 7.323 -6.701 442 HB2 ASN 57 2HB ASN 57 4.753 6.964 -8.524 443 HB3 ASN 57 1HB ASN 57 4.321 8.567 -7.932 444 HD21 ASN 57 1HD2 ASN 57 6.108 6.107 -6.189 445 HD22 ASN 57 2HD2 ASN 57 7.553 7.011 -6.019 446 H ILE 58 H ILE 58 5.309 5.268 -5.355 447 HA ILE 58 HA ILE 58 4.534 2.948 -6.830 448 HB ILE 58 HB ILE 58 6.212 3.452 -4.405 449 HG12 ILE 58 2HG1 ILE 58 7.917 2.294 -5.679 450 HG13 ILE 58 1HG1 ILE 58 6.746 1.840 -6.909 451 HG21 ILE 58 1HG2 ILE 58 4.853 1.546 -3.741 452 HG22 ILE 58 2HG2 ILE 58 6.526 1.061 -4.024 453 HG23 ILE 58 3HG2 ILE 58 5.287 0.704 -5.229 454 HD11 ILE 58 3HD1 ILE 58 6.526 4.105 -7.608 455 HD12 ILE 58 1HD1 ILE 58 8.242 3.699 -7.551 456 HD13 ILE 58 2HD1 ILE 58 7.516 4.673 -6.263 457 H ARG 59 H ARG 59 3.960 4.184 -3.586 458 HA ARG 59 HA ARG 59 2.238 2.306 -2.567 459 HB2 ARG 59 2HB ARG 59 3.080 3.914 -1.129 460 HB3 ARG 59 1HB ARG 59 2.598 5.251 -2.159 461 HG2 ARG 59 2HG ARG 59 0.351 5.078 -1.459 462 HG3 ARG 59 1HG ARG 59 0.628 3.534 -0.690 463 HD2 ARG 59 2HD ARG 59 0.520 5.460 0.841 464 HD3 ARG 59 1HD ARG 59 1.967 4.481 0.978 465 HE ARG 59 HE ARG 59 3.201 6.163 -0.135 466 HH11 ARG 59 1HH1 ARG 59 -0.095 7.104 0.551 467 HH12 ARG 59 2HH1 ARG 59 0.247 8.805 0.461 468 HH21 ARG 59 1HH2 ARG 59 3.626 8.383 -0.264 469 HH22 ARG 59 2HH2 ARG 59 2.317 9.494 -0.099 470 H ARG 60 H ARG 60 1.297 5.266 -4.388 471 HA ARG 60 HA ARG 60 -1.468 4.685 -4.423 472 HB2 ARG 60 2HB ARG 60 -1.453 6.251 -6.457 473 HB3 ARG 60 1HB ARG 60 -0.872 6.913 -4.932 474 HG2 ARG 60 2HG ARG 60 1.287 6.995 -5.616 475 HG3 ARG 60 1HG ARG 60 1.101 5.692 -6.765 476 HD2 ARG 60 2HD ARG 60 0.828 8.548 -7.116 477 HD3 ARG 60 1HD ARG 60 1.104 7.290 -8.313 478 HE ARG 60 HE ARG 60 -1.377 6.871 -8.132 479 HH11 ARG 60 1HH1 ARG 60 0.077 10.014 -7.631 480 HH12 ARG 60 2HH1 ARG 60 -1.398 10.880 -7.943 481 HH21 ARG 60 1HH2 ARG 60 -3.275 7.966 -8.571 482 HH22 ARG 60 2HH2 ARG 60 -3.290 9.691 -8.497 483 H GLN 61 H GLN 61 1.167 3.906 -6.663 484 HA GLN 61 HA GLN 61 -0.435 2.999 -8.798 485 HB2 GLN 61 2HB GLN 61 2.027 3.545 -8.912 486 HB3 GLN 61 1HB GLN 61 2.351 2.001 -8.124 487 HG2 GLN 61 2HG GLN 61 2.554 1.885 -10.580 488 HG3 GLN 61 1HG GLN 61 1.302 0.807 -9.942 489 HE21 GLN 61 1HE2 GLN 61 -0.878 1.501 -10.036 490 HE22 GLN 61 2HE2 GLN 61 -1.396 2.650 -11.203 491 H ILE 62 H ILE 62 1.189 1.103 -6.188 492 HA ILE 62 HA ILE 62 0.253 -1.393 -7.106 493 HB ILE 62 HB ILE 62 0.386 -1.290 -4.186 494 HG12 ILE 62 2HG1 ILE 62 3.021 -0.864 -5.509 495 HG13 ILE 62 1HG1 ILE 62 2.042 0.535 -5.098 496 HG21 ILE 62 1HG2 ILE 62 1.954 -2.765 -6.290 497 HG22 ILE 62 2HG2 ILE 62 0.484 -3.337 -5.501 498 HG23 ILE 62 3HG2 ILE 62 1.963 -3.121 -4.565 499 HD11 ILE 62 3HD1 ILE 62 3.655 0.009 -3.352 500 HD12 ILE 62 1HD1 ILE 62 2.934 -1.591 -3.174 501 HD13 ILE 62 2HD1 ILE 62 1.996 -0.150 -2.774 502 H PHE 63 H PHE 63 -1.138 0.992 -4.882 503 HA PHE 63 HA PHE 63 -3.154 -0.596 -3.812 504 HB2 PHE 63 2HB PHE 63 -3.042 1.339 -2.636 505 HB3 PHE 63 1HB PHE 63 -2.711 2.297 -4.070 506 HD1 PHE 63 2HD PHE 63 -5.423 0.418 -2.371 507 HD2 PHE 63 1HD PHE 63 -4.406 3.572 -5.049 508 HE1 PHE 63 2HE PHE 63 -7.806 1.083 -2.495 509 HE2 PHE 63 1HE PHE 63 -6.765 4.217 -5.179 510 HZ PHE 63 HZ PHE 63 -8.459 2.986 -3.910 511 H GLU 64 H GLU 64 -3.224 1.570 -6.560 512 HA GLU 64 HA GLU 64 -5.915 1.149 -7.253 513 HB2 GLU 64 2HB GLU 64 -3.537 2.120 -8.844 514 HB3 GLU 64 1HB GLU 64 -5.181 2.148 -9.442 515 HG2 GLU 64 2HG GLU 64 -5.845 3.646 -7.652 516 HG3 GLU 64 1HG GLU 64 -4.221 3.572 -6.974 517 H ASP 65 H ASP 65 -2.948 -0.453 -8.116 518 HA ASP 65 HA ASP 65 -4.110 -2.063 -10.203 519 HB2 ASP 65 2HB ASP 65 -1.797 -1.257 -10.330 520 HB3 ASP 65 1HB ASP 65 -1.392 -2.155 -8.875 521 H PHE 66 H PHE 66 -4.220 -2.301 -6.853 522 HA PHE 66 HA PHE 66 -3.298 -4.835 -6.248 523 HB2 PHE 66 2HB PHE 66 -5.255 -2.967 -5.014 524 HB3 PHE 66 1HB PHE 66 -5.141 -4.595 -4.377 525 HD1 PHE 66 2HD PHE 66 -1.999 -4.548 -5.129 526 HD2 PHE 66 1HD PHE 66 -4.641 -2.170 -2.794 527 HE1 PHE 66 2HE PHE 66 -0.126 -3.892 -3.677 528 HE2 PHE 66 1HE PHE 66 -2.787 -1.525 -1.325 529 HZ PHE 66 HZ PHE 66 -0.513 -2.378 -1.773 530 H LYS 67 H LYS 67 -6.666 -3.950 -6.779 531 HA LYS 67 HA LYS 67 -8.443 -5.025 -7.602 532 HB2 LYS 67 2HB LYS 67 -6.559 -7.247 -8.372 533 HB3 LYS 67 1HB LYS 67 -8.227 -7.087 -8.902 534 HG2 LYS 67 2HG LYS 67 -5.904 -5.316 -9.579 535 HG3 LYS 67 1HG LYS 67 -6.849 -6.332 -10.667 536 HD2 LYS 67 2HD LYS 67 -7.982 -4.008 -9.125 537 HD3 LYS 67 1HD LYS 67 -7.375 -3.890 -10.767 538 HE2 LYS 67 2HE LYS 67 -9.716 -5.504 -9.772 539 HE3 LYS 67 1HE LYS 67 -9.754 -4.132 -10.875 540 HZ1 LYS 67 3HZ LYS 67 -9.989 -5.983 -12.237 541 HZ2 LYS 67 1HZ LYS 67 -8.827 -6.888 -11.400 542 HZ3 LYS 67 2HZ LYS 67 -8.344 -5.599 -12.389 543 HA PRO 68 HA PRO 68 -9.440 -7.301 -3.864 544 HB2 PRO 68 2HB PRO 68 -12.144 -6.466 -4.696 545 HB3 PRO 68 1HB PRO 68 -11.285 -6.145 -3.188 546 HG2 PRO 68 2HG PRO 68 -11.635 -4.180 -4.941 547 HG3 PRO 68 1HG PRO 68 -10.077 -4.361 -4.122 548 HD2 PRO 68 2HD PRO 68 -10.911 -5.334 -6.835 549 HD3 PRO 68 1HD PRO 68 -9.535 -4.308 -6.382 550 H GLU 69 H GLU 69 -11.932 -8.355 -3.657 551 HA GLU 69 HA GLU 69 -13.148 -10.218 -3.974 552 HB2 GLU 69 2HB GLU 69 -12.309 -9.855 -6.850 553 HB3 GLU 69 1HB GLU 69 -13.487 -11.043 -6.309 554 HG2 GLU 69 2HG GLU 69 -14.932 -9.273 -5.495 555 HG3 GLU 69 1HG GLU 69 -13.742 -8.063 -5.975 Start of MODEL 12 1 H ASN 5 H ASN 5 19.192 -1.962 -0.449 2 HA ASN 5 HA ASN 5 17.980 -4.104 1.025 3 HB2 ASN 5 2HB ASN 5 19.899 -2.971 1.986 4 HB3 ASN 5 1HB ASN 5 19.041 -1.436 1.944 5 HD21 ASN 5 1HD2 ASN 5 19.174 -4.603 3.423 6 HD22 ASN 5 2HD2 ASN 5 18.271 -4.183 4.836 7 H GLU 6 H GLU 6 17.307 -0.831 0.235 8 HA GLU 6 HA GLU 6 14.827 -0.624 1.609 9 HB2 GLU 6 2HB GLU 6 14.683 1.341 -0.173 10 HB3 GLU 6 1HB GLU 6 15.787 1.431 1.200 11 HG2 GLU 6 2HG GLU 6 17.181 1.991 -0.550 12 HG3 GLU 6 1HG GLU 6 17.462 0.279 -0.394 13 H ARG 7 H ARG 7 15.867 -1.723 -1.515 14 HA ARG 7 HA ARG 7 13.341 -1.887 -2.766 15 HB2 ARG 7 2HB ARG 7 15.998 -3.212 -3.206 16 HB3 ARG 7 1HB ARG 7 14.598 -3.688 -4.145 17 HG2 ARG 7 2HG ARG 7 15.991 -1.041 -4.078 18 HG3 ARG 7 1HG ARG 7 15.691 -2.094 -5.460 19 HD2 ARG 7 2HD ARG 7 13.220 -1.688 -5.035 20 HD3 ARG 7 1HD ARG 7 13.720 -0.412 -3.934 21 HE ARG 7 HE ARG 7 14.356 -0.420 -6.816 22 HH11 ARG 7 1HH1 ARG 7 13.674 1.274 -3.837 23 HH12 ARG 7 2HH1 ARG 7 13.437 2.814 -4.606 24 HH21 ARG 7 1HH2 ARG 7 14.091 1.604 -7.845 25 HH22 ARG 7 2HH2 ARG 7 13.672 3.001 -6.892 26 H ARG 8 H ARG 8 15.278 -4.260 -0.966 27 HA ARG 8 HA ARG 8 13.407 -6.362 -1.100 28 HB2 ARG 8 2HB ARG 8 15.752 -6.723 -0.512 29 HB3 ARG 8 1HB ARG 8 15.544 -5.794 0.965 30 HG2 ARG 8 2HG ARG 8 14.041 -7.472 1.846 31 HG3 ARG 8 1HG ARG 8 14.136 -8.385 0.339 32 HD2 ARG 8 2HD ARG 8 16.400 -7.822 2.252 33 HD3 ARG 8 1HD ARG 8 15.593 -9.371 2.006 34 HE ARG 8 HE ARG 8 16.545 -8.600 -0.470 35 HH11 ARG 8 1HH1 ARG 8 17.929 -9.343 2.664 36 HH12 ARG 8 2HH1 ARG 8 19.432 -9.919 2.001 37 HH21 ARG 8 1HH2 ARG 8 18.508 -9.344 -1.338 38 HH22 ARG 8 2HH2 ARG 8 19.757 -9.925 -0.270 39 H ILE 9 H ILE 9 13.897 -3.747 1.250 40 HA ILE 9 HA ILE 9 11.866 -4.495 3.058 41 HB ILE 9 HB ILE 9 13.066 -1.826 2.338 42 HG12 ILE 9 2HG1 ILE 9 13.357 -3.497 4.830 43 HG13 ILE 9 1HG1 ILE 9 14.484 -3.531 3.476 44 HG21 ILE 9 1HG2 ILE 9 11.995 -0.913 4.352 45 HG22 ILE 9 2HG2 ILE 9 11.133 -2.433 4.582 46 HG23 ILE 9 3HG2 ILE 9 10.798 -1.434 3.167 47 HD11 ILE 9 3HD1 ILE 9 15.382 -2.100 5.144 48 HD12 ILE 9 1HD1 ILE 9 13.863 -1.212 5.276 49 HD13 ILE 9 2HD1 ILE 9 14.826 -1.090 3.804 50 H LEU 10 H LEU 10 11.862 -2.360 0.238 51 HA LEU 10 HA LEU 10 9.258 -1.423 0.370 52 HB2 LEU 10 2HB LEU 10 11.185 -0.713 -1.141 53 HB3 LEU 10 1HB LEU 10 10.704 -2.026 -2.201 54 HG LEU 10 HG LEU 10 8.462 -0.982 -2.409 55 HD11 LEU 10 1HD1 LEU 10 8.218 1.357 -1.660 56 HD12 LEU 10 2HD1 LEU 10 9.768 1.223 -0.825 57 HD13 LEU 10 3HD1 LEU 10 8.405 0.227 -0.318 58 HD21 LEU 10 3HD2 LEU 10 10.855 0.693 -3.161 59 HD22 LEU 10 1HD2 LEU 10 9.229 0.936 -3.798 60 HD23 LEU 10 2HD2 LEU 10 10.088 -0.568 -4.129 61 H GLU 11 H GLU 11 10.521 -4.262 -1.366 62 HA GLU 11 HA GLU 11 8.037 -5.042 -2.439 63 HB2 GLU 11 2HB GLU 11 10.575 -6.588 -1.909 64 HB3 GLU 11 1HB GLU 11 9.179 -7.287 -2.720 65 HG2 GLU 11 2HG GLU 11 9.329 -5.448 -4.398 66 HG3 GLU 11 1HG GLU 11 10.842 -4.956 -3.639 67 H GLN 12 H GLN 12 9.637 -5.875 0.605 68 HA GLN 12 HA GLN 12 7.793 -7.807 1.460 69 HB2 GLN 12 2HB GLN 12 9.968 -7.418 2.552 70 HB3 GLN 12 1HB GLN 12 9.389 -5.863 3.134 71 HG2 GLN 12 2HG GLN 12 9.312 -7.562 4.872 72 HG3 GLN 12 1HG GLN 12 7.702 -6.957 4.479 73 HE21 GLN 12 1HE2 GLN 12 6.253 -8.303 3.389 74 HE22 GLN 12 2HE2 GLN 12 6.481 -10.020 3.302 75 H LYS 13 H LYS 13 7.887 -4.279 2.058 76 HA LYS 13 HA LYS 13 5.378 -4.293 3.439 77 HB2 LYS 13 2HB LYS 13 7.072 -2.046 2.377 78 HB3 LYS 13 1HB LYS 13 5.499 -1.772 3.117 79 HG2 LYS 13 2HG LYS 13 7.949 -2.949 4.403 80 HG3 LYS 13 1HG LYS 13 7.144 -1.427 4.792 81 HD2 LYS 13 2HD LYS 13 5.130 -2.733 5.470 82 HD3 LYS 13 1HD LYS 13 6.052 -4.212 5.204 83 HE2 LYS 13 2HE LYS 13 6.137 -3.768 7.532 84 HE3 LYS 13 1HE LYS 13 7.721 -3.350 6.878 85 HZ1 LYS 13 3HZ LYS 13 5.537 -1.411 7.466 86 HZ2 LYS 13 1HZ LYS 13 7.093 -1.027 6.893 87 HZ3 LYS 13 2HZ LYS 13 6.903 -1.686 8.441 88 H LYS 14 H LYS 14 6.294 -4.108 0.136 89 HA LYS 14 HA LYS 14 4.001 -2.950 -0.982 90 HB2 LYS 14 2HB LYS 14 6.262 -3.809 -2.008 91 HB3 LYS 14 1HB LYS 14 5.378 -5.302 -2.242 92 HG2 LYS 14 2HG LYS 14 3.902 -4.328 -3.770 93 HG3 LYS 14 1HG LYS 14 4.344 -2.688 -3.282 94 HD2 LYS 14 2HD LYS 14 6.515 -2.897 -4.255 95 HD3 LYS 14 1HD LYS 14 6.289 -4.622 -4.535 96 HE2 LYS 14 2HE LYS 14 4.645 -2.461 -5.855 97 HE3 LYS 14 1HE LYS 14 6.084 -3.191 -6.565 98 HZ1 LYS 14 3HZ LYS 14 3.595 -4.647 -5.829 99 HZ2 LYS 14 1HZ LYS 14 5.008 -5.363 -6.441 100 HZ3 LYS 14 2HZ LYS 14 4.121 -4.281 -7.399 101 H HIS 15 H HIS 15 4.764 -6.360 -0.303 102 HA HIS 15 HA HIS 15 2.178 -7.350 -0.899 103 HB2 HIS 15 2HB HIS 15 4.084 -8.868 -0.817 104 HB3 HIS 15 1HB HIS 15 4.338 -8.508 0.888 105 HD1 HIS 15 1HD HIS 15 3.948 -10.852 1.784 106 HD2 HIS 15 2HD HIS 15 0.773 -9.445 -0.515 107 HE1 HIS 15 1HE HIS 15 2.075 -12.494 2.124 108 HE2 HIS 15 2HE HIS 15 0.263 -11.759 0.532 109 H TYR 16 H TYR 16 3.654 -6.131 2.078 110 HA TYR 16 HA TYR 16 1.402 -6.935 3.656 111 HB2 TYR 16 2HB TYR 16 3.963 -5.549 4.218 112 HB3 TYR 16 1HB TYR 16 2.630 -5.289 5.347 113 HD1 TYR 16 2HD TYR 16 1.290 -7.947 5.091 114 HD2 TYR 16 1HD TYR 16 5.400 -6.931 5.536 115 HE1 TYR 16 2HE TYR 16 1.702 -10.121 6.133 116 HE2 TYR 16 1HE TYR 16 5.830 -9.122 6.568 117 HH TYR 16 HH TYR 16 4.579 -10.870 7.771 118 H PHE 17 H PHE 17 2.195 -4.032 1.886 119 HA PHE 17 HA PHE 17 0.159 -2.479 3.152 120 HB2 PHE 17 2HB PHE 17 2.065 -1.455 1.965 121 HB3 PHE 17 1HB PHE 17 1.447 -2.105 0.457 122 HD1 PHE 17 2HD PHE 17 0.180 -0.204 3.344 123 HD2 PHE 17 1HD PHE 17 0.263 -0.646 -0.878 124 HE1 PHE 17 2HE PHE 17 -1.233 1.804 3.134 125 HE2 PHE 17 1HE PHE 17 -1.168 1.343 -1.122 126 HZ PHE 17 HZ PHE 17 -1.913 2.566 0.885 127 H TRP 18 H TRP 18 0.324 -4.796 0.574 128 HA TRP 18 HA TRP 18 -2.367 -4.317 -0.383 129 HB2 TRP 18 2HB TRP 18 -0.559 -5.436 -1.740 130 HB3 TRP 18 1HB TRP 18 -0.682 -6.817 -0.668 131 HD1 TRP 18 HD TRP 18 -1.112 -8.131 -3.003 132 HE1 TRP 18 1HE TRP 18 -3.270 -8.615 -4.296 133 HE3 TRP 18 3HE TRP 18 -4.235 -4.595 -0.899 134 HZ2 TRP 18 2HZ TRP 18 -5.897 -7.720 -4.405 135 HZ3 TRP 18 3HZ TRP 18 -6.578 -4.502 -1.717 136 HH2 TRP 18 HH TRP 18 -7.372 -6.041 -3.414 137 H LEU 19 H LEU 19 -0.745 -6.269 1.968 138 HA LEU 19 HA LEU 19 -2.942 -7.892 2.765 139 HB2 LEU 19 2HB LEU 19 -0.316 -7.963 3.251 140 HB3 LEU 19 1HB LEU 19 -0.783 -7.037 4.661 141 HG LEU 19 HG LEU 19 -2.478 -9.321 4.529 142 HD11 LEU 19 1HD1 LEU 19 -0.772 -11.091 4.716 143 HD12 LEU 19 2HD1 LEU 19 0.464 -9.925 4.242 144 HD13 LEU 19 3HD1 LEU 19 -0.810 -10.368 3.106 145 HD21 LEU 19 3HD2 LEU 19 -1.520 -9.767 6.688 146 HD22 LEU 19 1HD2 LEU 19 -1.749 -8.024 6.515 147 HD23 LEU 19 2HD2 LEU 19 -0.140 -8.728 6.329 148 H LEU 20 H LEU 20 -1.654 -4.790 3.556 149 HA LEU 20 HA LEU 20 -3.456 -4.099 5.672 150 HB2 LEU 20 2HB LEU 20 -1.164 -3.169 5.265 151 HB3 LEU 20 1HB LEU 20 -1.789 -2.317 3.871 152 HG LEU 20 HG LEU 20 -1.473 -0.873 5.810 153 HD11 LEU 20 1HD1 LEU 20 -3.689 0.170 5.922 154 HD12 LEU 20 2HD1 LEU 20 -4.396 -1.231 5.116 155 HD13 LEU 20 3HD1 LEU 20 -3.224 -0.218 4.270 156 HD21 LEU 20 3HD2 LEU 20 -2.983 -3.027 7.111 157 HD22 LEU 20 1HD2 LEU 20 -3.424 -1.385 7.600 158 HD23 LEU 20 2HD2 LEU 20 -1.751 -1.932 7.751 159 H LEU 21 H LEU 21 -3.274 -3.329 2.196 160 HA LEU 21 HA LEU 21 -5.521 -1.633 2.087 161 HB2 LEU 21 2HB LEU 21 -3.598 -2.409 0.287 162 HB3 LEU 21 1HB LEU 21 -5.008 -3.252 -0.326 163 HG LEU 21 HG LEU 21 -4.805 -1.166 -1.501 164 HD11 LEU 21 1HD1 LEU 21 -6.902 0.029 -0.777 165 HD12 LEU 21 2HD1 LEU 21 -7.022 -1.143 0.536 166 HD13 LEU 21 3HD1 LEU 21 -7.072 -1.688 -1.138 167 HD21 LEU 21 3HD2 LEU 21 -4.669 0.973 -0.438 168 HD22 LEU 21 1HD2 LEU 21 -3.390 -0.059 0.203 169 HD23 LEU 21 2HD2 LEU 21 -4.838 0.250 1.164 170 H GLN 22 H GLN 22 -5.177 -5.137 1.631 171 HA GLN 22 HA GLN 22 -7.912 -5.379 0.753 172 HB2 GLN 22 2HB GLN 22 -5.979 -6.786 -0.087 173 HB3 GLN 22 1HB GLN 22 -6.044 -7.641 1.448 174 HG2 GLN 22 2HG GLN 22 -8.168 -8.516 0.992 175 HG3 GLN 22 1HG GLN 22 -8.440 -7.385 -0.334 176 HE21 GLN 22 1HE2 GLN 22 -5.388 -9.004 0.105 177 HE22 GLN 22 2HE2 GLN 22 -5.521 -10.053 -1.268 178 H ARG 23 H ARG 23 -6.150 -5.898 3.765 179 HA ARG 23 HA ARG 23 -8.155 -7.161 5.249 180 HB2 ARG 23 2HB ARG 23 -6.039 -6.738 6.320 181 HB3 ARG 23 1HB ARG 23 -6.178 -5.013 6.035 182 HG2 ARG 23 2HG ARG 23 -8.200 -5.040 7.536 183 HG3 ARG 23 1HG ARG 23 -7.751 -6.686 7.963 184 HD2 ARG 23 2HD ARG 23 -6.920 -4.947 9.540 185 HD3 ARG 23 1HD ARG 23 -5.672 -5.968 8.844 186 HE ARG 23 HE ARG 23 -5.088 -4.157 7.367 187 HH11 ARG 23 1HH1 ARG 23 -7.050 -3.383 10.166 188 HH12 ARG 23 2HH1 ARG 23 -6.812 -1.676 9.991 189 HH21 ARG 23 1HH2 ARG 23 -4.835 -1.977 7.124 190 HH22 ARG 23 2HH2 ARG 23 -5.582 -0.897 8.228 191 H THR 24 H THR 24 -7.587 -3.746 4.618 192 HA THR 24 HA THR 24 -9.920 -2.893 6.012 193 HB THR 24 HB THR 24 -8.479 -1.203 3.996 194 HG1 THR 24 1HG THR 24 -6.686 -1.519 5.086 195 HG21 THR 24 3HG2 THR 24 -9.765 -0.722 6.675 196 HG22 THR 24 1HG2 THR 24 -10.400 -0.247 5.089 197 HG23 THR 24 2HG2 THR 24 -8.932 0.516 5.727 198 H TYR 25 H TYR 25 -9.001 -2.602 2.583 199 HA TYR 25 HA TYR 25 -11.854 -2.560 1.894 200 HB2 TYR 25 2HB TYR 25 -9.540 -1.821 0.095 201 HB3 TYR 25 1HB TYR 25 -11.245 -1.470 -0.156 202 HD1 TYR 25 1HD TYR 25 -11.557 -0.622 2.930 203 HD2 TYR 25 2HD TYR 25 -8.983 0.507 -0.274 204 HE1 TYR 25 1HE TYR 25 -11.205 1.582 3.974 205 HE2 TYR 25 2HE TYR 25 -8.640 2.712 0.774 206 HH TYR 25 HH TYR 25 -9.603 4.165 2.323 207 H THR 26 H THR 26 -12.149 -4.754 2.066 208 HA THR 26 HA THR 26 -10.389 -6.639 0.788 209 HB THR 26 HB THR 26 -13.029 -7.482 1.869 210 HG1 THR 26 1HG THR 26 -10.903 -6.427 3.471 211 HG21 THR 26 3HG2 THR 26 -10.198 -8.456 2.307 212 HG22 THR 26 1HG2 THR 26 -11.348 -9.131 1.156 213 HG23 THR 26 2HG2 THR 26 -11.663 -9.248 2.888 214 H LYS 27 H LYS 27 -12.308 -8.598 0.095 215 HA LYS 27 HA LYS 27 -12.894 -8.042 -2.582 216 HB2 LYS 27 2HB LYS 27 -14.453 -10.036 -0.973 217 HB3 LYS 27 1HB LYS 27 -13.831 -10.180 -2.611 218 HG2 LYS 27 2HG LYS 27 -12.021 -10.058 -0.224 219 HG3 LYS 27 1HG LYS 27 -12.710 -11.566 -0.798 220 HD2 LYS 27 2HD LYS 27 -11.700 -11.061 -3.044 221 HD3 LYS 27 1HD LYS 27 -10.868 -9.704 -2.282 222 HE2 LYS 27 2HE LYS 27 -9.790 -11.257 -0.715 223 HE3 LYS 27 1HE LYS 27 -10.606 -12.608 -1.500 224 HZ1 LYS 27 3HZ LYS 27 -8.546 -10.823 -2.672 225 HZ2 LYS 27 1HZ LYS 27 -9.455 -11.926 -3.591 226 HZ3 LYS 27 2HZ LYS 27 -8.417 -12.486 -2.371 227 H THR 28 H THR 28 -14.854 -7.906 0.347 228 HA THR 28 HA THR 28 -16.874 -6.366 -1.117 229 HB THR 28 HB THR 28 -17.805 -8.581 -0.896 230 HG1 THR 28 1HG THR 28 -18.857 -6.409 0.367 231 HG21 THR 28 3HG2 THR 28 -16.464 -9.464 0.901 232 HG22 THR 28 1HG2 THR 28 -18.164 -9.588 1.352 233 HG23 THR 28 2HG2 THR 28 -17.157 -8.312 2.040 234 H GLY 29 H GLY 29 -15.198 -6.997 1.901 235 HA2 GLY 29 2HA GLY 29 -16.366 -5.579 3.769 236 HA3 GLY 29 1HA GLY 29 -14.635 -5.528 3.557 237 H LYS 30 H LYS 30 -13.993 -3.986 1.665 238 HA LYS 30 HA LYS 30 -15.846 -1.770 1.335 239 HB2 LYS 30 2HB LYS 30 -13.870 -1.407 3.087 240 HB3 LYS 30 1HB LYS 30 -12.931 -1.193 1.623 241 HG2 LYS 30 2HG LYS 30 -13.985 0.730 1.036 242 HG3 LYS 30 1HG LYS 30 -15.467 0.308 1.896 243 HD2 LYS 30 2HD LYS 30 -12.879 0.919 3.293 244 HD3 LYS 30 1HD LYS 30 -14.075 2.143 2.902 245 HE2 LYS 30 2HE LYS 30 -15.744 0.966 4.227 246 HE3 LYS 30 1HE LYS 30 -14.568 -0.299 4.584 247 HZ1 LYS 30 3HZ LYS 30 -15.008 1.717 6.208 248 HZ2 LYS 30 1HZ LYS 30 -13.817 2.446 5.246 249 HZ3 LYS 30 2HZ LYS 30 -13.486 0.999 6.070 250 HA PRO 31 HA PRO 31 -14.662 -2.823 -2.855 251 HB2 PRO 31 2HB PRO 31 -15.954 -0.242 -3.495 252 HB3 PRO 31 1HB PRO 31 -16.304 -1.853 -4.126 253 HG2 PRO 31 2HG PRO 31 -17.942 -0.611 -2.389 254 HG3 PRO 31 1HG PRO 31 -17.726 -2.369 -2.383 255 HD2 PRO 31 2HD PRO 31 -16.611 -0.311 -0.537 256 HD3 PRO 31 1HD PRO 31 -17.139 -1.971 -0.192 257 H LYS 32 H LYS 32 -12.756 -2.461 -3.704 258 HA LYS 32 HA LYS 32 -10.935 -0.652 -2.687 259 HB2 LYS 32 2HB LYS 32 -10.260 -2.665 -3.862 260 HB3 LYS 32 1HB LYS 32 -10.924 -2.061 -5.362 261 HG2 LYS 32 2HG LYS 32 -9.090 -0.870 -5.827 262 HG3 LYS 32 1HG LYS 32 -8.934 -0.286 -4.174 263 HD2 LYS 32 2HD LYS 32 -8.163 -3.053 -5.068 264 HD3 LYS 32 1HD LYS 32 -7.039 -1.702 -4.919 265 HE2 LYS 32 2HE LYS 32 -6.800 -2.812 -2.896 266 HE3 LYS 32 1HE LYS 32 -7.904 -1.502 -2.523 267 HZ1 LYS 32 3HZ LYS 32 -8.655 -3.547 -1.509 268 HZ2 LYS 32 1HZ LYS 32 -8.672 -4.330 -3.010 269 HZ3 LYS 32 2HZ LYS 32 -9.754 -3.070 -2.701 270 HA PRO 33 HA PRO 33 -12.451 3.374 -3.626 271 HB2 PRO 33 2HB PRO 33 -9.476 3.454 -3.973 272 HB3 PRO 33 1HB PRO 33 -10.508 4.667 -3.270 273 HG2 PRO 33 2HG PRO 33 -9.237 2.903 -1.749 274 HG3 PRO 33 1HG PRO 33 -10.847 3.472 -1.354 275 HD2 PRO 33 2HD PRO 33 -10.013 0.853 -2.168 276 HD3 PRO 33 1HD PRO 33 -11.586 1.350 -1.543 277 H SER 34 H SER 34 -13.014 4.546 -5.289 278 HA SER 34 HA SER 34 -12.373 3.752 -7.978 279 HB2 SER 34 2HB SER 34 -13.808 6.268 -7.092 280 HB3 SER 34 1HB SER 34 -13.961 5.420 -8.632 281 HG SER 34 HG SER 34 -14.586 3.596 -6.974 282 H THR 35 H THR 35 -11.136 5.836 -5.626 283 HA THR 35 HA THR 35 -9.031 6.757 -7.418 284 HB THR 35 HB THR 35 -10.356 8.748 -5.595 285 HG1 THR 35 1HG THR 35 -11.071 7.948 -8.196 286 HG21 THR 35 3HG2 THR 35 -8.016 9.104 -6.379 287 HG22 THR 35 1HG2 THR 35 -9.139 10.357 -6.918 288 HG23 THR 35 2HG2 THR 35 -8.618 9.098 -8.036 289 H TRP 36 H TRP 36 -7.088 6.959 -6.386 290 HA TRP 36 HA TRP 36 -6.822 5.692 -3.873 291 HB2 TRP 36 2HB TRP 36 -4.988 5.345 -5.197 292 HB3 TRP 36 1HB TRP 36 -4.961 6.986 -5.771 293 HD1 TRP 36 HD TRP 36 -3.100 8.465 -4.775 294 HE1 TRP 36 1HE TRP 36 -1.530 8.314 -2.736 295 HE3 TRP 36 3HE TRP 36 -5.079 4.308 -2.552 296 HZ2 TRP 36 2HZ TRP 36 -1.216 6.650 -0.455 297 HZ3 TRP 36 3HZ TRP 36 -4.095 3.513 -0.447 298 HH2 TRP 36 HH TRP 36 -2.208 4.660 0.572 299 H ASP 37 H ASP 37 -7.409 8.895 -4.801 300 HA ASP 37 HA ASP 37 -6.330 10.382 -2.713 301 HB2 ASP 37 2HB ASP 37 -8.129 10.750 -4.882 302 HB3 ASP 37 1HB ASP 37 -8.854 11.469 -3.457 303 H LEU 38 H LEU 38 -9.599 8.957 -2.959 304 HA LEU 38 HA LEU 38 -10.342 9.756 -0.323 305 HB2 LEU 38 2HB LEU 38 -12.202 8.022 -0.693 306 HB3 LEU 38 1HB LEU 38 -12.170 9.434 -1.726 307 HG LEU 38 HG LEU 38 -10.676 7.255 -2.912 308 HD11 LEU 38 1HD1 LEU 38 -13.581 6.752 -2.284 309 HD12 LEU 38 2HD1 LEU 38 -12.207 5.821 -1.687 310 HD13 LEU 38 3HD1 LEU 38 -12.597 5.816 -3.411 311 HD21 LEU 38 3HD2 LEU 38 -12.094 7.776 -4.805 312 HD22 LEU 38 1HD2 LEU 38 -11.492 9.261 -4.065 313 HD23 LEU 38 2HD2 LEU 38 -13.150 8.739 -3.774 314 H ALA 39 H ALA 39 -8.823 6.983 -1.738 315 HA ALA 39 HA ALA 39 -9.230 5.132 0.360 316 HB1 ALA 39 1HB ALA 39 -8.639 4.374 -1.841 317 HB2 ALA 39 2HB ALA 39 -7.357 3.902 -0.710 318 HB3 ALA 39 3HB ALA 39 -7.118 5.281 -1.786 319 H SER 40 H SER 40 -6.473 7.157 -0.550 320 HA SER 40 HA SER 40 -4.835 6.486 1.602 321 HB2 SER 40 2HB SER 40 -3.706 8.667 1.114 322 HB3 SER 40 1HB SER 40 -3.897 7.612 -0.279 323 HG SER 40 HG SER 40 -5.330 8.955 -1.129 324 H LYS 41 H LYS 41 -7.301 9.033 1.305 325 HA LYS 41 HA LYS 41 -6.731 10.363 3.689 326 HB2 LYS 41 2HB LYS 41 -8.327 11.208 1.974 327 HB3 LYS 41 1HB LYS 41 -9.476 9.989 2.501 328 HG2 LYS 41 2HG LYS 41 -9.920 11.045 4.466 329 HG3 LYS 41 1HG LYS 41 -8.336 11.816 4.538 330 HD2 LYS 41 2HD LYS 41 -10.155 13.421 4.121 331 HD3 LYS 41 1HD LYS 41 -8.980 13.375 2.806 332 HE2 LYS 41 2HE LYS 41 -10.432 12.197 1.401 333 HE3 LYS 41 1HE LYS 41 -11.484 11.735 2.735 334 HZ1 LYS 41 3HZ LYS 41 -12.590 13.456 1.588 335 HZ2 LYS 41 1HZ LYS 41 -11.185 14.409 1.487 336 HZ3 LYS 41 2HZ LYS 41 -11.954 14.183 2.980 337 H GLU 42 H GLU 42 -8.961 7.596 3.180 338 HA GLU 42 HA GLU 42 -9.514 7.497 6.024 339 HB2 GLU 42 2HB GLU 42 -11.217 6.863 4.300 340 HB3 GLU 42 1HB GLU 42 -10.247 5.447 3.926 341 HG2 GLU 42 2HG GLU 42 -10.558 4.595 6.163 342 HG3 GLU 42 1HG GLU 42 -11.425 6.054 6.631 343 H LEU 43 H LEU 43 -7.141 6.341 3.961 344 HA LEU 43 HA LEU 43 -6.496 3.898 5.312 345 HB2 LEU 43 2HB LEU 43 -5.946 4.982 2.849 346 HB3 LEU 43 1HB LEU 43 -4.407 5.150 3.676 347 HG LEU 43 HG LEU 43 -4.402 3.105 2.431 348 HD11 LEU 43 1HD1 LEU 43 -4.017 1.478 4.227 349 HD12 LEU 43 2HD1 LEU 43 -4.773 2.590 5.369 350 HD13 LEU 43 3HD1 LEU 43 -3.274 3.042 4.564 351 HD21 LEU 43 3HD2 LEU 43 -6.860 2.309 3.978 352 HD22 LEU 43 1HD2 LEU 43 -6.031 1.358 2.746 353 HD23 LEU 43 2HD2 LEU 43 -6.856 2.856 2.301 354 H GLY 44 H GLY 44 -5.819 7.204 5.886 355 HA2 GLY 44 2HA GLY 44 -3.138 7.008 6.756 356 HA3 GLY 44 1HA GLY 44 -4.219 8.326 7.115 357 H GLU 45 H GLU 45 -5.772 5.688 8.268 358 HA GLU 45 HA GLU 45 -4.825 6.064 10.932 359 HB2 GLU 45 2HB GLU 45 -7.240 5.853 10.522 360 HB3 GLU 45 1HB GLU 45 -6.981 4.240 9.874 361 HG2 GLU 45 2HG GLU 45 -7.852 4.238 12.178 362 HG3 GLU 45 1HG GLU 45 -6.304 3.414 12.016 363 H SER 46 H SER 46 -4.656 3.689 8.373 364 HA SER 46 HA SER 46 -3.360 1.734 10.086 365 HB2 SER 46 2HB SER 46 -3.999 1.632 7.129 366 HB3 SER 46 1HB SER 46 -3.407 0.288 8.106 367 HG SER 46 HG SER 46 -5.746 1.616 8.908 368 H LEU 47 H LEU 47 -1.246 1.726 10.369 369 HA LEU 47 HA LEU 47 0.176 3.890 9.214 370 HB2 LEU 47 2HB LEU 47 2.135 2.801 10.573 371 HB3 LEU 47 1HB LEU 47 0.881 3.745 11.342 372 HG LEU 47 HG LEU 47 1.559 1.737 12.613 373 HD11 LEU 47 1HD1 LEU 47 -1.288 1.634 11.651 374 HD12 LEU 47 2HD1 LEU 47 -0.664 2.652 12.947 375 HD13 LEU 47 3HD1 LEU 47 -0.659 0.897 13.125 376 HD21 LEU 47 3HD2 LEU 47 0.276 0.126 10.435 377 HD22 LEU 47 1HD2 LEU 47 1.084 -0.461 11.889 378 HD23 LEU 47 2HD2 LEU 47 2.016 0.337 10.618 379 H GLU 48 H GLU 48 -0.263 0.863 7.807 380 HA GLU 48 HA GLU 48 2.513 0.623 7.002 381 HB2 GLU 48 2HB GLU 48 0.430 -1.183 7.001 382 HB3 GLU 48 1HB GLU 48 0.521 -0.731 5.318 383 HG2 GLU 48 2HG GLU 48 1.845 -2.700 5.722 384 HG3 GLU 48 1HG GLU 48 2.845 -1.339 5.246 385 H TYR 49 H TYR 49 -0.288 2.342 6.040 386 HA TYR 49 HA TYR 49 0.758 2.939 3.403 387 HB2 TYR 49 2HB TYR 49 -1.450 3.275 3.157 388 HB3 TYR 49 1HB TYR 49 -1.710 3.372 4.881 389 HD1 TYR 49 1HD TYR 49 -1.053 5.245 1.818 390 HD2 TYR 49 2HD TYR 49 -1.847 5.546 5.990 391 HE1 TYR 49 1HE TYR 49 -1.564 7.633 1.549 392 HE2 TYR 49 2HE TYR 49 -2.369 7.935 5.730 393 HH TYR 49 HH TYR 49 -2.216 9.705 4.324 394 H LYS 50 H LYS 50 1.105 3.949 6.612 395 HA LYS 50 HA LYS 50 2.312 6.470 5.879 396 HB2 LYS 50 2HB LYS 50 1.511 5.133 8.420 397 HB3 LYS 50 1HB LYS 50 2.690 6.426 8.469 398 HG2 LYS 50 2HG LYS 50 1.085 7.875 7.262 399 HG3 LYS 50 1HG LYS 50 -0.096 6.576 7.368 400 HD2 LYS 50 2HD LYS 50 1.257 7.691 9.797 401 HD3 LYS 50 1HD LYS 50 -0.183 8.445 9.129 402 HE2 LYS 50 2HE LYS 50 -1.440 6.402 9.454 403 HE3 LYS 50 1HE LYS 50 -0.000 5.570 10.023 404 HZ1 LYS 50 3HZ LYS 50 -1.802 7.220 11.471 405 HZ2 LYS 50 1HZ LYS 50 -0.224 7.825 11.589 406 HZ3 LYS 50 2HZ LYS 50 -0.552 6.232 12.056 407 H ALA 51 H ALA 51 3.184 3.238 6.116 408 HA ALA 51 HA ALA 51 5.956 3.745 6.880 409 HB1 ALA 51 1HB ALA 51 4.899 1.675 7.642 410 HB2 ALA 51 2HB ALA 51 6.243 1.323 6.558 411 HB3 ALA 51 3HB ALA 51 4.582 1.211 5.972 412 H LEU 52 H LEU 52 4.083 4.221 4.369 413 HA LEU 52 HA LEU 52 6.070 3.718 2.280 414 HB2 LEU 52 2HB LEU 52 4.478 1.878 2.340 415 HB3 LEU 52 1HB LEU 52 3.129 2.991 2.343 416 HG LEU 52 HG LEU 52 3.628 3.593 0.032 417 HD11 LEU 52 1HD1 LEU 52 6.015 3.336 0.009 418 HD12 LEU 52 2HD1 LEU 52 5.310 2.236 -1.182 419 HD13 LEU 52 3HD1 LEU 52 5.861 1.611 0.381 420 HD21 LEU 52 3HD2 LEU 52 2.125 1.748 0.380 421 HD22 LEU 52 1HD2 LEU 52 3.479 0.644 0.602 422 HD23 LEU 52 2HD2 LEU 52 3.183 1.361 -0.981 423 H GLY 53 H GLY 53 4.994 5.975 3.969 424 HA2 GLY 53 2HA GLY 53 3.457 7.620 2.193 425 HA3 GLY 53 1HA GLY 53 4.056 8.075 3.771 426 H ASP 54 H ASP 54 6.630 6.911 2.030 427 HA ASP 54 HA ASP 54 7.244 9.610 1.048 428 HB2 ASP 54 2HB ASP 54 9.419 9.327 1.626 429 HB3 ASP 54 1HB ASP 54 8.707 8.246 2.800 430 H GLU 55 H GLU 55 7.264 6.199 0.221 431 HA GLU 55 HA GLU 55 7.737 6.727 -2.595 432 HB2 GLU 55 2HB GLU 55 7.140 4.260 -0.992 433 HB3 GLU 55 1HB GLU 55 7.215 4.241 -2.750 434 HG2 GLU 55 2HG GLU 55 9.451 5.159 -0.955 435 HG3 GLU 55 1HG GLU 55 9.328 3.539 -1.646 436 H ASP 56 H ASP 56 5.877 8.313 -2.188 437 HA ASP 56 HA ASP 56 3.212 7.617 -1.924 438 HB2 ASP 56 2HB ASP 56 4.041 9.937 -1.910 439 HB3 ASP 56 1HB ASP 56 4.389 9.819 -3.627 440 H ASN 57 H ASN 57 5.184 7.741 -4.915 441 HA ASN 57 HA ASN 57 2.830 7.431 -6.561 442 HB2 ASN 57 2HB ASN 57 4.825 7.007 -8.309 443 HB3 ASN 57 1HB ASN 57 4.344 8.620 -7.796 444 HD21 ASN 57 1HD2 ASN 57 6.128 6.242 -5.934 445 HD22 ASN 57 2HD2 ASN 57 7.543 7.188 -5.748 446 H ILE 58 H ILE 58 5.273 5.427 -5.139 447 HA ILE 58 HA ILE 58 4.716 3.075 -6.607 448 HB ILE 58 HB ILE 58 6.108 3.696 -4.039 449 HG12 ILE 58 2HG1 ILE 58 7.982 2.620 -5.096 450 HG13 ILE 58 1HG1 ILE 58 6.947 1.974 -6.349 451 HG21 ILE 58 1HG2 ILE 58 4.765 1.775 -3.417 452 HG22 ILE 58 2HG2 ILE 58 6.458 1.303 -3.580 453 HG23 ILE 58 3HG2 ILE 58 5.306 0.904 -4.854 454 HD11 ILE 58 3HD1 ILE 58 8.336 3.832 -7.113 455 HD12 ILE 58 1HD1 ILE 58 7.511 4.887 -5.961 456 HD13 ILE 58 2HD1 ILE 58 6.608 4.139 -7.279 457 H ARG 59 H ARG 59 3.760 4.356 -3.511 458 HA ARG 59 HA ARG 59 2.106 2.315 -2.614 459 HB2 ARG 59 2HB ARG 59 2.885 3.799 -1.056 460 HB3 ARG 59 1HB ARG 59 2.515 5.205 -2.026 461 HG2 ARG 59 2HG ARG 59 0.123 4.845 -1.554 462 HG3 ARG 59 1HG ARG 59 0.568 3.541 -0.475 463 HD2 ARG 59 2HD ARG 59 0.410 5.329 0.939 464 HD3 ARG 59 1HD ARG 59 2.142 5.202 0.613 465 HE ARG 59 HE ARG 59 1.144 6.899 -1.303 466 HH11 ARG 59 1HH1 ARG 59 1.643 6.806 2.129 467 HH12 ARG 59 2HH1 ARG 59 1.431 8.514 2.343 468 HH21 ARG 59 1HH2 ARG 59 0.814 9.156 -1.051 469 HH22 ARG 59 2HH2 ARG 59 0.914 9.801 0.529 470 H ARG 60 H ARG 60 1.039 5.476 -4.056 471 HA ARG 60 HA ARG 60 -1.630 4.772 -4.407 472 HB2 ARG 60 2HB ARG 60 -1.658 6.436 -6.277 473 HB3 ARG 60 1HB ARG 60 -0.980 7.033 -4.771 474 HG2 ARG 60 2HG ARG 60 1.284 6.504 -5.760 475 HG3 ARG 60 1HG ARG 60 0.468 6.317 -7.313 476 HD2 ARG 60 2HD ARG 60 1.009 8.723 -5.664 477 HD3 ARG 60 1HD ARG 60 1.031 8.531 -7.416 478 HE ARG 60 HE ARG 60 -1.563 8.356 -6.983 479 HH11 ARG 60 1HH1 ARG 60 0.754 10.462 -5.439 480 HH12 ARG 60 2HH1 ARG 60 -0.389 11.750 -5.205 481 HH21 ARG 60 1HH2 ARG 60 -3.080 10.014 -6.628 482 HH22 ARG 60 2HH2 ARG 60 -2.552 11.455 -5.858 483 H GLN 61 H GLN 61 1.134 3.923 -6.452 484 HA GLN 61 HA GLN 61 -0.408 3.037 -8.682 485 HB2 GLN 61 2HB GLN 61 2.096 3.617 -8.634 486 HB3 GLN 61 1HB GLN 61 2.351 2.003 -7.977 487 HG2 GLN 61 2HG GLN 61 2.633 2.164 -10.447 488 HG3 GLN 61 1HG GLN 61 1.420 0.985 -9.931 489 HE21 GLN 61 1HE2 GLN 61 -0.775 1.558 -10.054 490 HE22 GLN 61 2HE2 GLN 61 -1.325 2.795 -11.111 491 H ILE 62 H ILE 62 1.121 1.186 -5.972 492 HA ILE 62 HA ILE 62 0.300 -1.334 -6.961 493 HB ILE 62 HB ILE 62 0.304 -1.346 -4.066 494 HG12 ILE 62 2HG1 ILE 62 2.957 -0.589 -5.217 495 HG13 ILE 62 1HG1 ILE 62 1.834 0.663 -4.713 496 HG21 ILE 62 1HG2 ILE 62 0.632 -3.304 -5.456 497 HG22 ILE 62 2HG2 ILE 62 2.045 -3.029 -4.437 498 HG23 ILE 62 3HG2 ILE 62 2.092 -2.590 -6.142 499 HD11 ILE 62 3HD1 ILE 62 3.350 0.225 -2.924 500 HD12 ILE 62 1HD1 ILE 62 3.003 -1.504 -2.995 501 HD13 ILE 62 2HD1 ILE 62 1.754 -0.374 -2.472 502 H PHE 63 H PHE 63 -1.182 0.962 -4.745 503 HA PHE 63 HA PHE 63 -3.346 -0.493 -3.883 504 HB2 PHE 63 2HB PHE 63 -3.173 1.544 -2.857 505 HB3 PHE 63 1HB PHE 63 -2.917 2.395 -4.368 506 HD1 PHE 63 1HD PHE 63 -5.478 0.472 -2.525 507 HD2 PHE 63 2HD PHE 63 -4.692 3.604 -5.311 508 HE1 PHE 63 1HE PHE 63 -7.858 1.022 -2.569 509 HE2 PHE 63 2HE PHE 63 -7.086 4.155 -5.346 510 HZ PHE 63 HZ PHE 63 -8.670 2.873 -3.969 511 H GLU 64 H GLU 64 -3.147 1.500 -6.793 512 HA GLU 64 HA GLU 64 -5.743 0.975 -7.737 513 HB2 GLU 64 2HB GLU 64 -4.022 2.765 -8.480 514 HB3 GLU 64 1HB GLU 64 -3.395 1.519 -9.545 515 HG2 GLU 64 2HG GLU 64 -6.299 2.088 -9.647 516 HG3 GLU 64 1HG GLU 64 -5.200 3.280 -10.329 517 H ASP 65 H ASP 65 -2.685 -0.706 -8.186 518 HA ASP 65 HA ASP 65 -3.726 -2.448 -10.241 519 HB2 ASP 65 2HB ASP 65 -1.399 -1.580 -10.258 520 HB3 ASP 65 1HB ASP 65 -1.060 -2.536 -8.820 521 H PHE 66 H PHE 66 -3.946 -2.515 -6.889 522 HA PHE 66 HA PHE 66 -3.173 -5.112 -6.208 523 HB2 PHE 66 2HB PHE 66 -5.067 -3.108 -5.052 524 HB3 PHE 66 1HB PHE 66 -4.957 -4.708 -4.352 525 HD1 PHE 66 1HD PHE 66 -1.823 -4.774 -5.003 526 HD2 PHE 66 2HD PHE 66 -4.440 -2.137 -2.940 527 HE1 PHE 66 1HE PHE 66 0.033 -4.055 -3.556 528 HE2 PHE 66 2HE PHE 66 -2.595 -1.412 -1.493 529 HZ PHE 66 HZ PHE 66 -0.344 -2.373 -1.806 530 H LYS 67 H LYS 67 -6.411 -3.884 -6.754 531 HA LYS 67 HA LYS 67 -8.299 -4.724 -7.628 532 HB2 LYS 67 2HB LYS 67 -6.709 -7.099 -8.600 533 HB3 LYS 67 1HB LYS 67 -8.253 -6.532 -9.197 534 HG2 LYS 67 2HG LYS 67 -5.538 -5.380 -9.630 535 HG3 LYS 67 1HG LYS 67 -6.760 -5.834 -10.815 536 HD2 LYS 67 2HD LYS 67 -8.135 -3.945 -9.600 537 HD3 LYS 67 1HD LYS 67 -6.530 -3.380 -9.155 538 HE2 LYS 67 2HE LYS 67 -5.893 -3.448 -11.560 539 HE3 LYS 67 1HE LYS 67 -7.562 -3.852 -11.949 540 HZ1 LYS 67 3HZ LYS 67 -8.265 -1.740 -10.995 541 HZ2 LYS 67 1HZ LYS 67 -7.131 -1.487 -12.226 542 HZ3 LYS 67 2HZ LYS 67 -6.661 -1.353 -10.607 543 HA PRO 68 HA PRO 68 -9.621 -7.398 -4.222 544 HB2 PRO 68 2HB PRO 68 -12.283 -7.190 -4.859 545 HB3 PRO 68 1HB PRO 68 -11.415 -6.083 -3.811 546 HG2 PRO 68 2HG PRO 68 -12.151 -5.813 -6.691 547 HG3 PRO 68 1HG PRO 68 -12.099 -4.564 -5.454 548 HD2 PRO 68 2HD PRO 68 -10.236 -4.799 -7.304 549 HD3 PRO 68 1HD PRO 68 -9.870 -4.218 -5.682 550 H GLU 69 H GLU 69 -11.808 -8.789 -4.313 551 HA GLU 69 HA GLU 69 -12.412 -10.946 -4.628 552 HB2 GLU 69 2HB GLU 69 -13.725 -9.718 -6.324 553 HB3 GLU 69 1HB GLU 69 -12.489 -10.083 -7.522 554 HG2 GLU 69 2HG GLU 69 -12.951 -12.408 -7.415 555 HG3 GLU 69 1HG GLU 69 -13.969 -12.203 -5.993 Start of MODEL 13 1 H ASN 5 H ASN 5 18.649 -2.615 -0.058 2 HA ASN 5 HA ASN 5 17.908 -4.247 2.239 3 HB2 ASN 5 2HB ASN 5 19.710 -2.616 2.955 4 HB3 ASN 5 1HB ASN 5 18.558 -1.335 2.605 5 HD21 ASN 5 1HD2 ASN 5 17.821 -4.489 3.944 6 HD22 ASN 5 2HD2 ASN 5 17.285 -3.918 5.480 7 H GLU 6 H GLU 6 17.511 -1.247 0.590 8 HA GLU 6 HA GLU 6 14.855 -0.700 1.311 9 HB2 GLU 6 2HB GLU 6 15.403 0.553 -1.133 10 HB3 GLU 6 1HB GLU 6 15.618 1.232 0.479 11 HG2 GLU 6 2HG GLU 6 17.723 1.482 -0.455 12 HG3 GLU 6 1HG GLU 6 17.876 0.005 0.458 13 H ARG 7 H ARG 7 16.296 -2.337 -1.481 14 HA ARG 7 HA ARG 7 13.949 -2.776 -2.949 15 HB2 ARG 7 2HB ARG 7 16.383 -4.546 -2.680 16 HB3 ARG 7 1HB ARG 7 15.145 -4.716 -3.918 17 HG2 ARG 7 2HG ARG 7 17.145 -2.514 -3.557 18 HG3 ARG 7 1HG ARG 7 16.888 -3.558 -4.956 19 HD2 ARG 7 2HD ARG 7 14.611 -2.500 -5.180 20 HD3 ARG 7 1HD ARG 7 15.116 -1.343 -3.954 21 HE ARG 7 HE ARG 7 17.083 -1.311 -5.905 22 HH11 ARG 7 1HH1 ARG 7 13.655 -0.646 -5.750 23 HH12 ARG 7 2HH1 ARG 7 13.704 0.619 -6.939 24 HH21 ARG 7 1HH2 ARG 7 17.162 0.362 -7.468 25 HH22 ARG 7 2HH2 ARG 7 15.709 1.215 -7.897 26 H ARG 8 H ARG 8 15.393 -4.575 -0.282 27 HA ARG 8 HA ARG 8 13.479 -6.674 -0.252 28 HB2 ARG 8 2HB ARG 8 15.760 -6.800 0.771 29 HB3 ARG 8 1HB ARG 8 15.213 -5.697 2.025 30 HG2 ARG 8 2HG ARG 8 13.377 -7.453 2.460 31 HG3 ARG 8 1HG ARG 8 14.414 -8.539 1.531 32 HD2 ARG 8 2HD ARG 8 15.048 -7.104 4.099 33 HD3 ARG 8 1HD ARG 8 14.984 -8.843 3.812 34 HE ARG 8 HE ARG 8 16.938 -8.019 2.125 35 HH11 ARG 8 1HH1 ARG 8 16.366 -7.590 5.554 36 HH12 ARG 8 2HH1 ARG 8 18.052 -7.437 5.954 37 HH21 ARG 8 1HH2 ARG 8 19.149 -7.772 2.636 38 HH22 ARG 8 2HH2 ARG 8 19.628 -7.479 4.280 39 H ILE 9 H ILE 9 13.844 -3.614 1.523 40 HA ILE 9 HA ILE 9 11.663 -3.743 3.237 41 HB ILE 9 HB ILE 9 12.835 -1.442 1.691 42 HG12 ILE 9 2HG1 ILE 9 13.057 -2.114 4.626 43 HG13 ILE 9 1HG1 ILE 9 14.300 -2.413 3.406 44 HG21 ILE 9 1HG2 ILE 9 10.713 -1.341 3.832 45 HG22 ILE 9 2HG2 ILE 9 10.558 -0.839 2.148 46 HG23 ILE 9 3HG2 ILE 9 11.607 0.061 3.242 47 HD11 ILE 9 3HD1 ILE 9 14.822 -0.384 4.587 48 HD12 ILE 9 1HD1 ILE 9 13.213 0.263 4.245 49 HD13 ILE 9 2HD1 ILE 9 14.354 0.004 2.928 50 H LEU 10 H LEU 10 11.851 -2.659 -0.139 51 HA LEU 10 HA LEU 10 9.293 -1.509 -0.224 52 HB2 LEU 10 2HB LEU 10 11.459 -1.151 -1.590 53 HB3 LEU 10 1HB LEU 10 10.872 -2.477 -2.554 54 HG LEU 10 HG LEU 10 10.260 -0.492 -3.684 55 HD11 LEU 10 1HD1 LEU 10 8.538 -2.209 -3.571 56 HD12 LEU 10 2HD1 LEU 10 7.876 -0.581 -3.772 57 HD13 LEU 10 3HD1 LEU 10 7.832 -1.372 -2.187 58 HD21 LEU 10 3HD2 LEU 10 9.016 1.335 -2.620 59 HD22 LEU 10 1HD2 LEU 10 10.583 1.077 -1.853 60 HD23 LEU 10 2HD2 LEU 10 9.114 0.487 -1.077 61 H GLU 11 H GLU 11 10.581 -4.587 -1.477 62 HA GLU 11 HA GLU 11 8.126 -5.402 -2.621 63 HB2 GLU 11 2HB GLU 11 10.486 -7.059 -1.698 64 HB3 GLU 11 1HB GLU 11 9.181 -7.648 -2.715 65 HG2 GLU 11 2HG GLU 11 11.207 -5.533 -3.408 66 HG3 GLU 11 1HG GLU 11 11.070 -7.155 -4.084 67 H GLN 12 H GLN 12 9.594 -5.973 0.546 68 HA GLN 12 HA GLN 12 7.654 -7.771 1.518 69 HB2 GLN 12 2HB GLN 12 9.872 -7.289 2.586 70 HB3 GLN 12 1HB GLN 12 9.226 -5.743 3.115 71 HG2 GLN 12 2HG GLN 12 9.121 -7.297 4.927 72 HG3 GLN 12 1HG GLN 12 7.481 -6.948 4.379 73 HE21 GLN 12 1HE2 GLN 12 9.960 -9.326 4.666 74 HE22 GLN 12 2HE2 GLN 12 9.014 -10.684 4.173 75 H LYS 13 H LYS 13 7.946 -4.253 1.670 76 HA LYS 13 HA LYS 13 5.535 -3.816 3.095 77 HB2 LYS 13 2HB LYS 13 7.640 -2.213 1.926 78 HB3 LYS 13 1HB LYS 13 6.058 -1.505 1.610 79 HG2 LYS 13 2HG LYS 13 5.655 -1.074 3.801 80 HG3 LYS 13 1HG LYS 13 6.616 -2.442 4.362 81 HD2 LYS 13 2HD LYS 13 8.659 -1.261 3.892 82 HD3 LYS 13 1HD LYS 13 7.765 0.073 3.164 83 HE2 LYS 13 2HE LYS 13 8.596 0.396 5.546 84 HE3 LYS 13 1HE LYS 13 6.903 0.768 5.229 85 HZ1 LYS 13 3HZ LYS 13 7.794 -1.854 6.287 86 HZ2 LYS 13 1HZ LYS 13 6.215 -1.225 6.246 87 HZ3 LYS 13 2HZ LYS 13 7.376 -0.557 7.292 88 H LYS 14 H LYS 14 6.352 -3.847 -0.350 89 HA LYS 14 HA LYS 14 4.015 -3.081 -1.536 90 HB2 LYS 14 2HB LYS 14 6.208 -4.000 -2.570 91 HB3 LYS 14 1HB LYS 14 5.470 -5.582 -2.380 92 HG2 LYS 14 2HG LYS 14 3.638 -4.959 -3.824 93 HG3 LYS 14 1HG LYS 14 4.291 -3.327 -3.983 94 HD2 LYS 14 2HD LYS 14 6.003 -5.667 -4.681 95 HD3 LYS 14 1HD LYS 14 4.763 -5.143 -5.818 96 HE2 LYS 14 2HE LYS 14 5.748 -2.988 -6.024 97 HE3 LYS 14 1HE LYS 14 6.851 -3.273 -4.678 98 HZ1 LYS 14 3HZ LYS 14 7.909 -5.032 -6.009 99 HZ2 LYS 14 1HZ LYS 14 7.993 -3.524 -6.775 100 HZ3 LYS 14 2HZ LYS 14 6.874 -4.672 -7.309 101 H HIS 15 H HIS 15 4.728 -6.392 -0.326 102 HA HIS 15 HA HIS 15 2.039 -7.265 -0.824 103 HB2 HIS 15 2HB HIS 15 3.900 -8.886 -0.830 104 HB3 HIS 15 1HB HIS 15 4.151 -8.598 0.890 105 HD1 HIS 15 1HD HIS 15 3.616 -11.072 1.500 106 HD2 HIS 15 2HD HIS 15 0.487 -9.075 -0.378 107 HE1 HIS 15 1HE HIS 15 1.605 -12.550 1.762 108 HE2 HIS 15 2HE HIS 15 -0.184 -11.460 0.367 109 H TYR 16 H TYR 16 3.747 -6.026 2.005 110 HA TYR 16 HA TYR 16 1.701 -6.816 3.843 111 HB2 TYR 16 2HB TYR 16 4.301 -5.890 4.077 112 HB3 TYR 16 1HB TYR 16 3.340 -4.559 4.716 113 HD1 TYR 16 1HD TYR 16 1.309 -7.215 5.334 114 HD2 TYR 16 2HD TYR 16 5.062 -5.671 6.614 115 HE1 TYR 16 1HE TYR 16 1.066 -8.418 7.458 116 HE2 TYR 16 2HE TYR 16 4.834 -6.874 8.747 117 HH TYR 16 HH TYR 16 3.199 -7.864 10.138 118 H PHE 17 H PHE 17 2.256 -3.981 1.898 119 HA PHE 17 HA PHE 17 0.248 -2.384 3.165 120 HB2 PHE 17 2HB PHE 17 2.174 -1.462 1.843 121 HB3 PHE 17 1HB PHE 17 1.389 -2.083 0.403 122 HD1 PHE 17 1HD PHE 17 0.511 -0.084 3.384 123 HD2 PHE 17 2HD PHE 17 0.131 -0.594 -0.827 124 HE1 PHE 17 1HE PHE 17 -0.848 1.986 3.282 125 HE2 PHE 17 2HE PHE 17 -1.228 1.449 -0.954 126 HZ PHE 17 HZ PHE 17 -1.724 2.739 1.091 127 H TRP 18 H TRP 18 0.423 -4.676 0.518 128 HA TRP 18 HA TRP 18 -2.293 -4.275 -0.399 129 HB2 TRP 18 2HB TRP 18 -0.381 -5.407 -1.681 130 HB3 TRP 18 1HB TRP 18 -0.635 -6.798 -0.650 131 HD1 TRP 18 HD TRP 18 -0.866 -7.827 -3.238 132 HE1 TRP 18 1HE TRP 18 -2.993 -8.286 -4.605 133 HE3 TRP 18 3HE TRP 18 -4.215 -4.727 -0.804 134 HZ2 TRP 18 2HZ TRP 18 -5.640 -7.535 -4.670 135 HZ3 TRP 18 3HZ TRP 18 -6.547 -4.683 -1.667 136 HH2 TRP 18 HH TRP 18 -7.223 -6.060 -3.538 137 H LEU 19 H LEU 19 -0.641 -6.059 2.038 138 HA LEU 19 HA LEU 19 -2.818 -7.766 2.782 139 HB2 LEU 19 2HB LEU 19 -0.226 -7.976 3.224 140 HB3 LEU 19 1HB LEU 19 -0.573 -6.967 4.612 141 HG LEU 19 HG LEU 19 -2.202 -9.433 4.250 142 HD11 LEU 19 1HD1 LEU 19 0.657 -9.348 5.197 143 HD12 LEU 19 2HD1 LEU 19 -0.006 -10.298 3.866 144 HD13 LEU 19 3HD1 LEU 19 -0.455 -10.678 5.529 145 HD21 LEU 19 3HD2 LEU 19 -1.038 -8.026 6.645 146 HD22 LEU 19 1HD2 LEU 19 -2.168 -9.384 6.676 147 HD23 LEU 19 2HD2 LEU 19 -2.680 -7.822 6.031 148 H LEU 20 H LEU 20 -1.475 -4.710 3.724 149 HA LEU 20 HA LEU 20 -3.247 -4.041 5.829 150 HB2 LEU 20 2HB LEU 20 -0.976 -3.015 5.018 151 HB3 LEU 20 1HB LEU 20 -1.980 -2.059 3.951 152 HG LEU 20 HG LEU 20 -1.353 -0.775 5.883 153 HD11 LEU 20 1HD1 LEU 20 -4.259 -1.582 5.919 154 HD12 LEU 20 2HD1 LEU 20 -3.527 -0.281 4.981 155 HD13 LEU 20 3HD1 LEU 20 -3.600 -0.165 6.741 156 HD21 LEU 20 3HD2 LEU 20 -1.048 -2.786 7.358 157 HD22 LEU 20 1HD2 LEU 20 -2.795 -2.799 7.623 158 HD23 LEU 20 2HD2 LEU 20 -1.824 -1.401 8.124 159 H LEU 21 H LEU 21 -3.235 -3.316 2.332 160 HA LEU 21 HA LEU 21 -5.510 -1.645 2.421 161 HB2 LEU 21 2HB LEU 21 -3.457 -1.715 0.872 162 HB3 LEU 21 1HB LEU 21 -4.281 -2.960 0.008 163 HG LEU 21 HG LEU 21 -4.866 -1.198 -1.304 164 HD11 LEU 21 1HD1 LEU 21 -6.878 -0.909 0.913 165 HD12 LEU 21 2HD1 LEU 21 -7.016 -1.887 -0.550 166 HD13 LEU 21 3HD1 LEU 21 -7.004 -0.125 -0.663 167 HD21 LEU 21 3HD2 LEU 21 -4.910 1.105 -0.534 168 HD22 LEU 21 1HD2 LEU 21 -3.418 0.275 -0.093 169 HD23 LEU 21 2HD2 LEU 21 -4.661 0.550 1.126 170 H GLN 22 H GLN 22 -4.969 -5.102 1.731 171 HA GLN 22 HA GLN 22 -7.672 -5.502 0.819 172 HB2 GLN 22 2HB GLN 22 -5.865 -7.015 0.091 173 HB3 GLN 22 1HB GLN 22 -5.665 -7.568 1.750 174 HG2 GLN 22 2HG GLN 22 -7.924 -8.460 1.746 175 HG3 GLN 22 1HG GLN 22 -8.169 -7.872 0.103 176 HE21 GLN 22 1HE2 GLN 22 -8.327 -10.573 1.170 177 HE22 GLN 22 2HE2 GLN 22 -7.230 -11.515 0.227 178 H ARG 23 H ARG 23 -5.947 -5.881 3.863 179 HA ARG 23 HA ARG 23 -7.996 -7.094 5.349 180 HB2 ARG 23 2HB ARG 23 -5.797 -7.015 6.276 181 HB3 ARG 23 1HB ARG 23 -5.735 -5.265 6.147 182 HG2 ARG 23 2HG ARG 23 -7.933 -6.181 7.801 183 HG3 ARG 23 1HG ARG 23 -6.364 -6.706 8.397 184 HD2 ARG 23 2HD ARG 23 -7.158 -3.878 7.723 185 HD3 ARG 23 1HD ARG 23 -6.999 -4.552 9.348 186 HE ARG 23 HE ARG 23 -4.789 -4.095 7.460 187 HH11 ARG 23 1HH1 ARG 23 -5.966 -4.608 10.717 188 HH12 ARG 23 2HH1 ARG 23 -4.393 -4.451 11.427 189 HH21 ARG 23 1HH2 ARG 23 -2.772 -3.933 8.365 190 HH22 ARG 23 2HH2 ARG 23 -2.584 -4.046 10.061 191 H THR 24 H THR 24 -7.272 -3.713 4.687 192 HA THR 24 HA THR 24 -9.501 -2.738 6.189 193 HB THR 24 HB THR 24 -7.944 -1.295 4.041 194 HG1 THR 24 1HG THR 24 -6.373 -1.696 5.458 195 HG21 THR 24 3HG2 THR 24 -8.629 0.706 5.303 196 HG22 THR 24 1HG2 THR 24 -9.572 -0.321 6.387 197 HG23 THR 24 2HG2 THR 24 -10.018 -0.194 4.678 198 H TYR 25 H TYR 25 -8.772 -2.793 2.695 199 HA TYR 25 HA TYR 25 -11.662 -2.690 2.175 200 HB2 TYR 25 2HB TYR 25 -9.418 -2.028 0.256 201 HB3 TYR 25 1HB TYR 25 -11.139 -1.758 0.004 202 HD1 TYR 25 2HD TYR 25 -11.584 -0.693 2.929 203 HD2 TYR 25 1HD TYR 25 -8.801 0.260 -0.145 204 HE1 TYR 25 2HE TYR 25 -11.352 1.574 3.841 205 HE2 TYR 25 1HE TYR 25 -8.565 2.529 0.770 206 HH TYR 25 HH TYR 25 -9.638 4.062 2.132 207 H THR 26 H THR 26 -12.129 -4.821 2.308 208 HA THR 26 HA THR 26 -10.440 -6.864 1.254 209 HB THR 26 HB THR 26 -13.170 -7.667 1.873 210 HG1 THR 26 1HG THR 26 -11.691 -6.358 3.937 211 HG21 THR 26 3HG2 THR 26 -10.490 -8.239 3.160 212 HG22 THR 26 1HG2 THR 26 -11.269 -9.197 1.902 213 HG23 THR 26 2HG2 THR 26 -11.994 -9.093 3.506 214 H LYS 27 H LYS 27 -12.101 -8.730 0.249 215 HA LYS 27 HA LYS 27 -12.439 -8.216 -2.449 216 HB2 LYS 27 2HB LYS 27 -14.322 -10.136 -1.215 217 HB3 LYS 27 1HB LYS 27 -13.183 -10.370 -2.534 218 HG2 LYS 27 2HG LYS 27 -11.365 -10.636 -0.990 219 HG3 LYS 27 1HG LYS 27 -12.397 -10.204 0.364 220 HD2 LYS 27 2HD LYS 27 -12.135 -12.593 0.340 221 HD3 LYS 27 1HD LYS 27 -13.793 -12.189 -0.095 222 HE2 LYS 27 2HE LYS 27 -13.170 -13.894 -1.574 223 HE3 LYS 27 1HE LYS 27 -13.049 -12.413 -2.517 224 HZ1 LYS 27 3HZ LYS 27 -11.170 -14.039 -2.750 225 HZ2 LYS 27 1HZ LYS 27 -10.719 -13.650 -1.170 226 HZ3 LYS 27 2HZ LYS 27 -10.716 -12.452 -2.375 227 H THR 28 H THR 28 -14.907 -8.322 0.112 228 HA THR 28 HA THR 28 -16.523 -6.425 -1.451 229 HB THR 28 HB THR 28 -17.472 -8.693 -1.710 230 HG1 THR 28 1HG THR 28 -19.592 -8.127 -1.078 231 HG21 THR 28 3HG2 THR 28 -17.702 -8.588 1.294 232 HG22 THR 28 1HG2 THR 28 -16.731 -9.713 0.344 233 HG23 THR 28 2HG2 THR 28 -18.494 -9.789 0.270 234 H GLY 29 H GLY 29 -15.425 -7.618 1.631 235 HA2 GLY 29 2HA GLY 29 -16.864 -6.511 3.525 236 HA3 GLY 29 1HA GLY 29 -15.121 -6.501 3.597 237 H LYS 30 H LYS 30 -14.182 -4.685 2.114 238 HA LYS 30 HA LYS 30 -15.888 -2.302 2.120 239 HB2 LYS 30 2HB LYS 30 -12.988 -2.445 2.973 240 HB3 LYS 30 1HB LYS 30 -13.783 -0.945 2.525 241 HG2 LYS 30 2HG LYS 30 -14.698 -2.742 4.758 242 HG3 LYS 30 1HG LYS 30 -13.646 -1.342 4.967 243 HD2 LYS 30 2HD LYS 30 -16.456 -1.306 3.862 244 HD3 LYS 30 1HD LYS 30 -15.973 -0.787 5.476 245 HE2 LYS 30 2HE LYS 30 -14.455 0.890 4.347 246 HE3 LYS 30 1HE LYS 30 -15.253 0.472 2.834 247 HZ1 LYS 30 3HZ LYS 30 -17.390 1.086 3.947 248 HZ2 LYS 30 1HZ LYS 30 -16.325 2.385 3.711 249 HZ3 LYS 30 2HZ LYS 30 -16.483 1.686 5.248 250 HA PRO 31 HA PRO 31 -14.926 -2.736 -2.202 251 HB2 PRO 31 2HB PRO 31 -15.803 -0.181 -2.850 252 HB3 PRO 31 1HB PRO 31 -16.816 -1.625 -2.802 253 HG2 PRO 31 2HG PRO 31 -16.461 0.517 -0.761 254 HG3 PRO 31 1HG PRO 31 -17.927 -0.369 -1.215 255 HD2 PRO 31 2HD PRO 31 -16.583 -0.932 1.039 256 HD3 PRO 31 1HD PRO 31 -17.359 -2.212 0.078 257 H LYS 32 H LYS 32 -12.924 -2.562 -2.929 258 HA LYS 32 HA LYS 32 -11.017 -0.705 -2.127 259 HB2 LYS 32 2HB LYS 32 -10.424 -2.793 -3.232 260 HB3 LYS 32 1HB LYS 32 -11.215 -2.275 -4.707 261 HG2 LYS 32 2HG LYS 32 -9.464 -1.020 -5.359 262 HG3 LYS 32 1HG LYS 32 -9.093 -0.487 -3.720 263 HD2 LYS 32 2HD LYS 32 -8.541 -3.273 -4.710 264 HD3 LYS 32 1HD LYS 32 -7.363 -1.962 -4.791 265 HE2 LYS 32 2HE LYS 32 -6.850 -3.086 -2.811 266 HE3 LYS 32 1HE LYS 32 -7.753 -1.680 -2.291 267 HZ1 LYS 32 3HZ LYS 32 -8.470 -3.657 -1.108 268 HZ2 LYS 32 1HZ LYS 32 -8.844 -4.431 -2.565 269 HZ3 LYS 32 2HZ LYS 32 -9.723 -3.075 -2.079 270 HA PRO 33 HA PRO 33 -12.979 2.975 -3.609 271 HB2 PRO 33 2HB PRO 33 -10.522 4.390 -3.429 272 HB3 PRO 33 1HB PRO 33 -11.808 4.312 -2.217 273 HG2 PRO 33 2HG PRO 33 -9.284 2.809 -2.514 274 HG3 PRO 33 1HG PRO 33 -10.124 3.336 -1.076 275 HD2 PRO 33 2HD PRO 33 -10.116 0.852 -1.782 276 HD3 PRO 33 1HD PRO 33 -11.588 1.566 -1.085 277 H SER 34 H SER 34 -12.992 4.350 -5.376 278 HA SER 34 HA SER 34 -12.052 3.110 -7.794 279 HB2 SER 34 2HB SER 34 -13.072 5.518 -8.560 280 HB3 SER 34 1HB SER 34 -14.052 4.082 -8.273 281 HG SER 34 HG SER 34 -15.007 5.418 -6.916 282 H THR 35 H THR 35 -11.226 5.793 -5.788 283 HA THR 35 HA THR 35 -8.874 6.296 -7.477 284 HB THR 35 HB THR 35 -10.013 8.525 -5.858 285 HG1 THR 35 1HG THR 35 -11.079 7.605 -8.349 286 HG21 THR 35 3HG2 THR 35 -9.100 9.860 -7.677 287 HG22 THR 35 1HG2 THR 35 -8.722 8.394 -8.582 288 HG23 THR 35 2HG2 THR 35 -7.878 8.738 -7.070 289 H TRP 36 H TRP 36 -6.979 6.734 -6.392 290 HA TRP 36 HA TRP 36 -6.688 5.648 -3.801 291 HB2 TRP 36 2HB TRP 36 -4.853 5.386 -5.204 292 HB3 TRP 36 1HB TRP 36 -4.881 7.054 -5.699 293 HD1 TRP 36 HD TRP 36 -2.958 8.431 -4.746 294 HE1 TRP 36 1HE TRP 36 -1.411 8.282 -2.686 295 HE3 TRP 36 3HE TRP 36 -5.059 4.346 -2.448 296 HZ2 TRP 36 2HZ TRP 36 -1.149 6.659 -0.395 297 HZ3 TRP 36 3HZ TRP 36 -4.090 3.577 -0.328 298 HH2 TRP 36 HH TRP 36 -2.179 4.706 0.673 299 H ASP 37 H ASP 37 -7.680 8.680 -4.855 300 HA ASP 37 HA ASP 37 -6.590 10.387 -2.894 301 HB2 ASP 37 2HB ASP 37 -7.871 10.876 -5.131 302 HB3 ASP 37 1HB ASP 37 -9.300 10.833 -4.105 303 H LEU 38 H LEU 38 -9.823 8.841 -3.077 304 HA LEU 38 HA LEU 38 -10.527 9.655 -0.428 305 HB2 LEU 38 2HB LEU 38 -12.425 8.000 -0.735 306 HB3 LEU 38 1HB LEU 38 -12.360 9.330 -1.870 307 HG LEU 38 HG LEU 38 -10.987 6.908 -2.811 308 HD11 LEU 38 1HD1 LEU 38 -13.107 5.744 -3.381 309 HD12 LEU 38 2HD1 LEU 38 -13.979 6.903 -2.362 310 HD13 LEU 38 3HD1 LEU 38 -12.805 5.803 -1.639 311 HD21 LEU 38 3HD2 LEU 38 -13.183 8.577 -4.028 312 HD22 LEU 38 1HD2 LEU 38 -12.097 7.467 -4.865 313 HD23 LEU 38 2HD2 LEU 38 -11.464 8.953 -4.153 314 H ALA 39 H ALA 39 -8.949 6.978 -1.870 315 HA ALA 39 HA ALA 39 -9.253 5.045 0.162 316 HB1 ALA 39 1HB ALA 39 -7.396 3.918 -0.917 317 HB2 ALA 39 2HB ALA 39 -6.994 5.389 -1.807 318 HB3 ALA 39 3HB ALA 39 -8.516 4.544 -2.137 319 H SER 40 H SER 40 -6.679 7.340 -0.601 320 HA SER 40 HA SER 40 -5.050 6.656 1.583 321 HB2 SER 40 2HB SER 40 -3.845 8.723 1.068 322 HB3 SER 40 1HB SER 40 -4.168 7.786 -0.383 323 HG SER 40 HG SER 40 -5.530 9.280 -1.073 324 H LYS 41 H LYS 41 -7.651 9.048 1.219 325 HA LYS 41 HA LYS 41 -7.300 10.465 3.592 326 HB2 LYS 41 2HB LYS 41 -9.890 9.567 2.335 327 HB3 LYS 41 1HB LYS 41 -9.782 10.747 3.625 328 HG2 LYS 41 2HG LYS 41 -8.356 12.125 2.062 329 HG3 LYS 41 1HG LYS 41 -8.853 11.006 0.788 330 HD2 LYS 41 2HD LYS 41 -10.543 12.904 2.395 331 HD3 LYS 41 1HD LYS 41 -10.391 12.773 0.644 332 HE2 LYS 41 2HE LYS 41 -12.452 11.804 1.016 333 HE3 LYS 41 1HE LYS 41 -11.395 10.399 0.993 334 HZ1 LYS 41 3HZ LYS 41 -12.256 9.883 2.970 335 HZ2 LYS 41 1HZ LYS 41 -13.051 11.380 3.096 336 HZ3 LYS 41 2HZ LYS 41 -11.448 11.226 3.616 337 H GLU 42 H GLU 42 -9.125 7.455 3.079 338 HA GLU 42 HA GLU 42 -9.722 7.236 5.895 339 HB2 GLU 42 2HB GLU 42 -10.483 5.827 3.414 340 HB3 GLU 42 1HB GLU 42 -10.451 4.836 4.863 341 HG2 GLU 42 2HG GLU 42 -12.663 5.866 4.252 342 HG3 GLU 42 1HG GLU 42 -12.117 6.120 5.906 343 H LEU 43 H LEU 43 -7.162 6.327 3.879 344 HA LEU 43 HA LEU 43 -6.385 3.972 5.359 345 HB2 LEU 43 2HB LEU 43 -5.916 4.925 2.809 346 HB3 LEU 43 1HB LEU 43 -4.376 5.168 3.610 347 HG LEU 43 HG LEU 43 -4.269 3.063 2.540 348 HD11 LEU 43 1HD1 LEU 43 -4.050 1.486 4.404 349 HD12 LEU 43 2HD1 LEU 43 -4.862 2.652 5.452 350 HD13 LEU 43 3HD1 LEU 43 -3.299 3.048 4.733 351 HD21 LEU 43 3HD2 LEU 43 -6.644 2.741 2.163 352 HD22 LEU 43 1HD2 LEU 43 -6.879 2.396 3.876 353 HD23 LEU 43 2HD2 LEU 43 -5.919 1.301 2.882 354 H GLY 44 H GLY 44 -6.010 7.309 5.784 355 HA2 GLY 44 2HA GLY 44 -3.275 7.266 6.683 356 HA3 GLY 44 1HA GLY 44 -4.359 8.634 6.757 357 H GLU 45 H GLU 45 -4.653 5.409 8.165 358 HA GLU 45 HA GLU 45 -3.965 6.447 10.721 359 HB2 GLU 45 2HB GLU 45 -5.937 5.420 11.848 360 HB3 GLU 45 1HB GLU 45 -6.308 6.813 10.848 361 HG2 GLU 45 2HG GLU 45 -8.022 5.304 10.426 362 HG3 GLU 45 1HG GLU 45 -6.947 5.142 9.041 363 H SER 46 H SER 46 -4.467 3.744 8.582 364 HA SER 46 HA SER 46 -3.109 1.946 10.400 365 HB2 SER 46 2HB SER 46 -4.023 1.674 7.535 366 HB3 SER 46 1HB SER 46 -3.140 0.409 8.387 367 HG SER 46 HG SER 46 -5.654 1.534 9.159 368 H LEU 47 H LEU 47 -0.955 1.707 10.531 369 HA LEU 47 HA LEU 47 0.406 3.922 9.407 370 HB2 LEU 47 2HB LEU 47 2.408 2.860 10.721 371 HB3 LEU 47 1HB LEU 47 1.145 3.769 11.517 372 HG LEU 47 HG LEU 47 1.859 1.775 12.764 373 HD11 LEU 47 1HD1 LEU 47 -0.982 1.592 11.798 374 HD12 LEU 47 2HD1 LEU 47 -0.389 2.643 13.082 375 HD13 LEU 47 3HD1 LEU 47 -0.337 0.892 13.281 376 HD21 LEU 47 3HD2 LEU 47 2.344 0.418 10.714 377 HD22 LEU 47 1HD2 LEU 47 0.611 0.110 10.599 378 HD23 LEU 47 2HD2 LEU 47 1.511 -0.432 12.019 379 H GLU 48 H GLU 48 0.039 0.896 7.993 380 HA GLU 48 HA GLU 48 2.762 0.658 7.092 381 HB2 GLU 48 2HB GLU 48 0.759 -1.125 7.127 382 HB3 GLU 48 1HB GLU 48 0.493 -0.488 5.533 383 HG2 GLU 48 2HG GLU 48 1.862 -2.542 5.606 384 HG3 GLU 48 1HG GLU 48 2.604 -1.177 4.795 385 H TYR 49 H TYR 49 -0.018 2.491 6.267 386 HA TYR 49 HA TYR 49 1.000 3.206 3.637 387 HB2 TYR 49 2HB TYR 49 -1.243 3.360 3.450 388 HB3 TYR 49 1HB TYR 49 -1.479 3.601 5.156 389 HD1 TYR 49 1HD TYR 49 -0.881 5.243 1.924 390 HD2 TYR 49 2HD TYR 49 -1.753 5.862 6.053 391 HE1 TYR 49 1HE TYR 49 -1.525 7.572 1.448 392 HE2 TYR 49 2HE TYR 49 -2.397 8.193 5.579 393 HH TYR 49 HH TYR 49 -3.190 9.328 2.733 394 H LYS 50 H LYS 50 1.381 4.141 6.866 395 HA LYS 50 HA LYS 50 2.543 6.730 6.189 396 HB2 LYS 50 2HB LYS 50 1.460 5.570 8.499 397 HB3 LYS 50 1HB LYS 50 3.177 5.743 8.835 398 HG2 LYS 50 2HG LYS 50 3.037 8.120 8.276 399 HG3 LYS 50 1HG LYS 50 1.309 7.933 7.956 400 HD2 LYS 50 2HD LYS 50 2.709 7.488 10.591 401 HD3 LYS 50 1HD LYS 50 1.649 8.835 10.176 402 HE2 LYS 50 2HE LYS 50 -0.099 6.984 9.687 403 HE3 LYS 50 1HE LYS 50 0.962 5.962 10.658 404 HZ1 LYS 50 3HZ LYS 50 -0.334 8.487 11.529 405 HZ2 LYS 50 1HZ LYS 50 0.782 7.610 12.462 406 HZ3 LYS 50 2HZ LYS 50 -0.714 6.925 12.061 407 H ALA 51 H ALA 51 3.382 3.512 6.105 408 HA ALA 51 HA ALA 51 6.183 3.862 6.847 409 HB1 ALA 51 1HB ALA 51 6.326 1.446 6.408 410 HB2 ALA 51 2HB ALA 51 4.639 1.451 5.892 411 HB3 ALA 51 3HB ALA 51 5.055 1.833 7.564 412 H LEU 52 H LEU 52 4.412 4.721 4.404 413 HA LEU 52 HA LEU 52 6.194 3.844 2.257 414 HB2 LEU 52 2HB LEU 52 4.094 2.386 2.740 415 HB3 LEU 52 1HB LEU 52 3.200 3.709 2.015 416 HG LEU 52 HG LEU 52 4.392 3.395 -0.057 417 HD11 LEU 52 1HD1 LEU 52 6.535 2.682 0.738 418 HD12 LEU 52 2HD1 LEU 52 5.883 1.413 -0.303 419 HD13 LEU 52 3HD1 LEU 52 5.831 1.233 1.455 420 HD21 LEU 52 3HD2 LEU 52 3.556 1.116 -0.605 421 HD22 LEU 52 1HD2 LEU 52 2.373 2.126 0.227 422 HD23 LEU 52 2HD2 LEU 52 3.242 0.876 1.113 423 H GLY 53 H GLY 53 5.798 6.329 3.695 424 HA2 GLY 53 2HA GLY 53 4.021 8.078 2.346 425 HA3 GLY 53 1HA GLY 53 5.287 8.549 3.464 426 H ASP 54 H ASP 54 7.575 7.739 2.128 427 HA ASP 54 HA ASP 54 7.658 9.770 0.067 428 HB2 ASP 54 2HB ASP 54 9.493 9.438 1.760 429 HB3 ASP 54 1HB ASP 54 9.891 7.930 0.942 430 H GLU 55 H GLU 55 7.560 6.358 0.374 431 HA GLU 55 HA GLU 55 8.089 5.683 -2.369 432 HB2 GLU 55 2HB GLU 55 6.688 4.159 -0.155 433 HB3 GLU 55 1HB GLU 55 7.114 3.481 -1.711 434 HG2 GLU 55 2HG GLU 55 8.589 2.853 0.204 435 HG3 GLU 55 1HG GLU 55 9.430 3.498 -1.198 436 H ASP 56 H ASP 56 5.979 7.724 -1.588 437 HA ASP 56 HA ASP 56 3.387 6.881 -1.666 438 HB2 ASP 56 2HB ASP 56 3.724 9.167 -1.245 439 HB3 ASP 56 1HB ASP 56 4.623 9.399 -2.738 440 H ASN 57 H ASN 57 5.453 7.454 -4.549 441 HA ASN 57 HA ASN 57 3.197 7.242 -6.321 442 HB2 ASN 57 2HB ASN 57 5.244 6.813 -8.003 443 HB3 ASN 57 1HB ASN 57 4.823 8.415 -7.414 444 HD21 ASN 57 1HD2 ASN 57 6.365 5.934 -5.497 445 HD22 ASN 57 2HD2 ASN 57 7.852 6.761 -5.281 446 H ILE 58 H ILE 58 5.533 5.004 -4.990 447 HA ILE 58 HA ILE 58 4.809 2.746 -6.532 448 HB ILE 58 HB ILE 58 6.122 3.174 -3.864 449 HG12 ILE 58 2HG1 ILE 58 7.965 1.924 -4.866 450 HG13 ILE 58 1HG1 ILE 58 7.004 1.619 -6.307 451 HG21 ILE 58 1HG2 ILE 58 6.317 0.752 -3.516 452 HG22 ILE 58 2HG2 ILE 58 5.216 0.484 -4.868 453 HG23 ILE 58 3HG2 ILE 58 4.649 1.319 -3.422 454 HD11 ILE 58 3HD1 ILE 58 7.837 4.350 -5.359 455 HD12 ILE 58 1HD1 ILE 58 7.060 3.929 -6.886 456 HD13 ILE 58 2HD1 ILE 58 8.706 3.385 -6.559 457 H ARG 59 H ARG 59 3.864 4.036 -3.414 458 HA ARG 59 HA ARG 59 2.016 2.153 -2.571 459 HB2 ARG 59 2HB ARG 59 2.932 3.703 -1.079 460 HB3 ARG 59 1HB ARG 59 2.411 5.072 -2.042 461 HG2 ARG 59 2HG ARG 59 0.090 4.593 -1.441 462 HG3 ARG 59 1HG ARG 59 0.631 3.257 -0.451 463 HD2 ARG 59 2HD ARG 59 0.348 5.075 0.987 464 HD3 ARG 59 1HD ARG 59 2.087 4.852 0.773 465 HE ARG 59 HE ARG 59 1.168 6.607 -1.181 466 HH11 ARG 59 1HH1 ARG 59 1.758 6.515 2.267 467 HH12 ARG 59 2HH1 ARG 59 1.894 8.244 2.394 468 HH21 ARG 59 1HH2 ARG 59 1.316 8.777 -1.048 469 HH22 ARG 59 2HH2 ARG 59 1.644 9.503 0.478 470 H ARG 60 H ARG 60 1.254 5.317 -4.153 471 HA ARG 60 HA ARG 60 -1.483 4.901 -4.436 472 HB2 ARG 60 2HB ARG 60 -1.198 6.442 -6.508 473 HB3 ARG 60 1HB ARG 60 -0.807 7.080 -4.917 474 HG2 ARG 60 2HG ARG 60 1.426 7.135 -5.323 475 HG3 ARG 60 1HG ARG 60 1.365 5.825 -6.479 476 HD2 ARG 60 2HD ARG 60 1.438 8.602 -6.955 477 HD3 ARG 60 1HD ARG 60 1.399 7.296 -8.132 478 HE ARG 60 HE ARG 60 -0.989 7.481 -8.196 479 HH11 ARG 60 1HH1 ARG 60 0.694 10.045 -6.504 480 HH12 ARG 60 2HH1 ARG 60 -0.657 11.139 -6.563 481 HH21 ARG 60 1HH2 ARG 60 -2.733 8.921 -8.336 482 HH22 ARG 60 2HH2 ARG 60 -2.576 10.495 -7.636 483 H GLN 61 H GLN 61 1.201 3.809 -6.469 484 HA GLN 61 HA GLN 61 -0.548 3.034 -8.609 485 HB2 GLN 61 2HB GLN 61 1.837 3.675 -8.936 486 HB3 GLN 61 1HB GLN 61 2.319 2.173 -8.160 487 HG2 GLN 61 2HG GLN 61 2.252 2.263 -10.728 488 HG3 GLN 61 1HG GLN 61 1.554 0.866 -9.910 489 HE21 GLN 61 1HE2 GLN 61 -0.004 3.985 -9.971 490 HE22 GLN 61 2HE2 GLN 61 -1.357 3.499 -10.924 491 H ILE 62 H ILE 62 1.096 1.212 -5.957 492 HA ILE 62 HA ILE 62 0.247 -1.304 -6.907 493 HB ILE 62 HB ILE 62 0.198 -1.481 -4.071 494 HG12 ILE 62 2HG1 ILE 62 2.780 -0.270 -5.004 495 HG13 ILE 62 1HG1 ILE 62 1.507 0.711 -4.294 496 HG21 ILE 62 1HG2 ILE 62 0.824 -3.244 -5.597 497 HG22 ILE 62 2HG2 ILE 62 2.142 -2.918 -4.471 498 HG23 ILE 62 3HG2 ILE 62 2.228 -2.317 -6.125 499 HD11 ILE 62 3HD1 ILE 62 2.899 -1.606 -2.984 500 HD12 ILE 62 1HD1 ILE 62 1.592 -0.659 -2.272 501 HD13 ILE 62 2HD1 ILE 62 3.144 0.106 -2.626 502 H PHE 63 H PHE 63 -1.246 0.896 -4.536 503 HA PHE 63 HA PHE 63 -3.436 -0.657 -3.879 504 HB2 PHE 63 2HB PHE 63 -3.292 1.235 -2.582 505 HB3 PHE 63 1HB PHE 63 -3.000 2.270 -3.969 506 HD1 PHE 63 2HD PHE 63 -5.637 0.144 -2.456 507 HD2 PHE 63 1HD PHE 63 -4.745 3.573 -4.826 508 HE1 PHE 63 2HE PHE 63 -8.031 0.693 -2.551 509 HE2 PHE 63 1HE PHE 63 -7.150 4.105 -4.930 510 HZ PHE 63 HZ PHE 63 -8.794 2.674 -3.795 511 H GLU 64 H GLU 64 -3.130 1.688 -6.438 512 HA GLU 64 HA GLU 64 -5.656 1.613 -7.539 513 HB2 GLU 64 2HB GLU 64 -3.652 3.133 -8.008 514 HB3 GLU 64 1HB GLU 64 -3.100 1.889 -9.113 515 HG2 GLU 64 2HG GLU 64 -5.011 2.197 -10.515 516 HG3 GLU 64 1HG GLU 64 -5.747 3.296 -9.345 517 H ASP 65 H ASP 65 -2.827 -0.381 -8.341 518 HA ASP 65 HA ASP 65 -4.328 -1.912 -10.281 519 HB2 ASP 65 2HB ASP 65 -1.889 -1.188 -10.522 520 HB3 ASP 65 1HB ASP 65 -1.512 -2.499 -9.406 521 H PHE 66 H PHE 66 -4.159 -2.152 -6.962 522 HA PHE 66 HA PHE 66 -3.271 -4.699 -6.352 523 HB2 PHE 66 2HB PHE 66 -5.177 -2.779 -5.132 524 HB3 PHE 66 1HB PHE 66 -5.186 -4.415 -4.518 525 HD1 PHE 66 1HD PHE 66 -1.978 -4.428 -5.235 526 HD2 PHE 66 2HD PHE 66 -4.637 -2.169 -2.803 527 HE1 PHE 66 1HE PHE 66 -0.123 -3.876 -3.713 528 HE2 PHE 66 2HE PHE 66 -2.802 -1.617 -1.276 529 HZ PHE 66 HZ PHE 66 -0.527 -2.462 -1.738 530 H LYS 67 H LYS 67 -6.608 -3.747 -6.876 531 HA LYS 67 HA LYS 67 -8.456 -4.760 -7.612 532 HB2 LYS 67 2HB LYS 67 -6.708 -6.979 -8.676 533 HB3 LYS 67 1HB LYS 67 -8.323 -6.549 -9.212 534 HG2 LYS 67 2HG LYS 67 -5.809 -4.937 -9.569 535 HG3 LYS 67 1HG LYS 67 -6.728 -5.773 -10.821 536 HD2 LYS 67 2HD LYS 67 -8.214 -3.791 -9.204 537 HD3 LYS 67 1HD LYS 67 -6.978 -3.148 -10.292 538 HE2 LYS 67 2HE LYS 67 -8.995 -5.140 -11.263 539 HE3 LYS 67 1HE LYS 67 -9.400 -3.426 -11.159 540 HZ1 LYS 67 3HZ LYS 67 -8.557 -4.133 -13.361 541 HZ2 LYS 67 1HZ LYS 67 -7.054 -4.486 -12.655 542 HZ3 LYS 67 2HZ LYS 67 -7.641 -2.895 -12.657 543 HA PRO 68 HA PRO 68 -9.457 -7.157 -3.950 544 HB2 PRO 68 2HB PRO 68 -12.136 -7.167 -4.713 545 HB3 PRO 68 1HB PRO 68 -11.373 -5.983 -3.676 546 HG2 PRO 68 2HG PRO 68 -11.951 -5.865 -6.600 547 HG3 PRO 68 1HG PRO 68 -12.042 -4.570 -5.408 548 HD2 PRO 68 2HD PRO 68 -10.065 -4.671 -7.085 549 HD3 PRO 68 1HD PRO 68 -9.772 -4.220 -5.400 550 H GLU 69 H GLU 69 -12.082 -8.339 -4.510 551 HA GLU 69 HA GLU 69 -12.957 -10.410 -4.769 552 HB2 GLU 69 2HB GLU 69 -11.734 -9.776 -7.279 553 HB3 GLU 69 1HB GLU 69 -11.515 -11.489 -6.961 554 HG2 GLU 69 2HG GLU 69 -14.162 -10.059 -6.894 555 HG3 GLU 69 1HG GLU 69 -13.542 -10.972 -8.266 Start of MODEL 14 1 H ASN 5 H ASN 5 18.166 -3.151 -1.812 2 HA ASN 5 HA ASN 5 17.943 -4.149 0.891 3 HB2 ASN 5 2HB ASN 5 19.982 -2.693 0.869 4 HB3 ASN 5 1HB ASN 5 18.936 -1.335 0.486 5 HD21 ASN 5 1HD2 ASN 5 18.268 -4.058 2.592 6 HD22 ASN 5 2HD2 ASN 5 18.133 -3.136 4.045 7 H GLU 6 H GLU 6 17.378 -1.516 -1.245 8 HA GLU 6 HA GLU 6 14.925 -0.642 -0.126 9 HB2 GLU 6 2HB GLU 6 15.029 0.308 -2.708 10 HB3 GLU 6 1HB GLU 6 15.827 1.058 -1.320 11 HG2 GLU 6 2HG GLU 6 17.503 0.837 -2.973 12 HG3 GLU 6 1HG GLU 6 17.796 -0.430 -1.802 13 H ARG 7 H ARG 7 15.828 -2.853 -2.770 14 HA ARG 7 HA ARG 7 13.232 -3.486 -3.651 15 HB2 ARG 7 2HB ARG 7 15.780 -5.091 -3.588 16 HB3 ARG 7 1HB ARG 7 14.278 -5.732 -4.246 17 HG2 ARG 7 2HG ARG 7 15.796 -3.322 -5.210 18 HG3 ARG 7 1HG ARG 7 15.587 -4.861 -6.048 19 HD2 ARG 7 2HD ARG 7 13.052 -4.352 -5.833 20 HD3 ARG 7 1HD ARG 7 13.571 -2.710 -5.504 21 HE ARG 7 HE ARG 7 14.580 -2.643 -7.713 22 HH11 ARG 7 1HH1 ARG 7 12.290 -5.246 -7.119 23 HH12 ARG 7 2HH1 ARG 7 11.923 -5.478 -8.799 24 HH21 ARG 7 1HH2 ARG 7 14.055 -2.934 -9.922 25 HH22 ARG 7 2HH2 ARG 7 12.915 -4.161 -10.387 26 H ARG 8 H ARG 8 15.205 -4.872 -1.059 27 HA ARG 8 HA ARG 8 13.415 -6.833 -0.179 28 HB2 ARG 8 2HB ARG 8 15.818 -6.557 0.518 29 HB3 ARG 8 1HB ARG 8 15.325 -5.208 1.524 30 HG2 ARG 8 2HG ARG 8 14.082 -7.901 1.909 31 HG3 ARG 8 1HG ARG 8 15.676 -7.554 2.569 32 HD2 ARG 8 2HD ARG 8 13.159 -5.994 3.147 33 HD3 ARG 8 1HD ARG 8 13.888 -7.195 4.208 34 HE ARG 8 HE ARG 8 15.686 -5.071 3.511 35 HH11 ARG 8 1HH1 ARG 8 13.175 -6.111 5.729 36 HH12 ARG 8 2HH1 ARG 8 13.615 -4.966 6.966 37 HH21 ARG 8 1HH2 ARG 8 16.284 -3.575 5.178 38 HH22 ARG 8 2HH2 ARG 8 15.382 -3.560 6.656 39 H ILE 9 H ILE 9 13.836 -3.450 0.826 40 HA ILE 9 HA ILE 9 11.745 -3.351 2.704 41 HB ILE 9 HB ILE 9 13.067 -1.233 1.019 42 HG12 ILE 9 2HG1 ILE 9 13.268 -1.760 3.977 43 HG13 ILE 9 1HG1 ILE 9 14.373 -2.451 2.793 44 HG21 ILE 9 1HG2 ILE 9 10.825 -0.441 1.582 45 HG22 ILE 9 2HG2 ILE 9 12.047 0.442 2.503 46 HG23 ILE 9 3HG2 ILE 9 11.103 -0.831 3.279 47 HD11 ILE 9 3HD1 ILE 9 15.387 -0.514 3.759 48 HD12 ILE 9 1HD1 ILE 9 13.955 0.462 3.412 49 HD13 ILE 9 2HD1 ILE 9 14.948 -0.148 2.087 50 H LEU 10 H LEU 10 11.771 -2.535 -0.748 51 HA LEU 10 HA LEU 10 9.183 -1.417 -0.804 52 HB2 LEU 10 2HB LEU 10 11.168 -1.089 -2.378 53 HB3 LEU 10 1HB LEU 10 10.643 -2.573 -3.152 54 HG LEU 10 HG LEU 10 8.411 -1.461 -3.536 55 HD11 LEU 10 1HD1 LEU 10 8.483 1.031 -3.493 56 HD12 LEU 10 2HD1 LEU 10 9.985 0.921 -2.568 57 HD13 LEU 10 3HD1 LEU 10 8.488 0.271 -1.905 58 HD21 LEU 10 3HD2 LEU 10 10.859 -0.204 -4.777 59 HD22 LEU 10 1HD2 LEU 10 9.223 -0.140 -5.431 60 HD23 LEU 10 2HD2 LEU 10 10.062 -1.687 -5.308 61 H GLU 11 H GLU 11 10.388 -4.668 -1.549 62 HA GLU 11 HA GLU 11 7.876 -5.546 -2.626 63 HB2 GLU 11 2HB GLU 11 10.268 -7.148 -1.675 64 HB3 GLU 11 1HB GLU 11 8.878 -7.819 -2.518 65 HG2 GLU 11 2HG GLU 11 10.715 -5.719 -3.643 66 HG3 GLU 11 1HG GLU 11 10.837 -7.448 -3.972 67 H GLN 12 H GLN 12 9.482 -5.772 0.534 68 HA GLN 12 HA GLN 12 7.471 -7.325 1.778 69 HB2 GLN 12 2HB GLN 12 9.678 -6.953 2.812 70 HB3 GLN 12 1HB GLN 12 9.290 -5.250 3.011 71 HG2 GLN 12 2HG GLN 12 9.037 -6.569 5.084 72 HG3 GLN 12 1HG GLN 12 7.555 -5.757 4.584 73 HE21 GLN 12 1HE2 GLN 12 6.262 -7.192 5.755 74 HE22 GLN 12 2HE2 GLN 12 6.009 -8.826 5.252 75 H LYS 13 H LYS 13 7.933 -3.864 1.324 76 HA LYS 13 HA LYS 13 5.658 -2.980 2.719 77 HB2 LYS 13 2HB LYS 13 7.587 -1.857 0.863 78 HB3 LYS 13 1HB LYS 13 5.968 -1.278 0.504 79 HG2 LYS 13 2HG LYS 13 7.182 0.214 2.016 80 HG3 LYS 13 1HG LYS 13 5.722 -0.445 2.755 81 HD2 LYS 13 2HD LYS 13 7.025 -2.039 4.014 82 HD3 LYS 13 1HD LYS 13 8.498 -1.542 3.181 83 HE2 LYS 13 2HE LYS 13 6.821 0.294 4.879 84 HE3 LYS 13 1HE LYS 13 8.228 -0.591 5.474 85 HZ1 LYS 13 3HZ LYS 13 9.651 0.620 4.117 86 HZ2 LYS 13 1HZ LYS 13 8.569 1.790 4.677 87 HZ3 LYS 13 2HZ LYS 13 8.414 1.178 3.105 88 H LYS 14 H LYS 14 6.196 -3.928 -0.639 89 HA LYS 14 HA LYS 14 3.751 -3.418 -1.758 90 HB2 LYS 14 2HB LYS 14 5.864 -4.320 -2.864 91 HB3 LYS 14 1HB LYS 14 5.355 -5.913 -2.320 92 HG2 LYS 14 2HG LYS 14 3.340 -5.784 -3.641 93 HG3 LYS 14 1HG LYS 14 3.724 -4.133 -4.108 94 HD2 LYS 14 2HD LYS 14 5.629 -6.369 -4.679 95 HD3 LYS 14 1HD LYS 14 4.271 -6.039 -5.756 96 HE2 LYS 14 2HE LYS 14 5.062 -3.790 -6.127 97 HE3 LYS 14 1HE LYS 14 6.355 -4.015 -4.946 98 HZ1 LYS 14 3HZ LYS 14 6.119 -5.789 -7.292 99 HZ2 LYS 14 1HZ LYS 14 7.476 -5.471 -6.319 100 HZ3 LYS 14 2HZ LYS 14 6.909 -4.292 -7.408 101 H HIS 15 H HIS 15 4.703 -6.470 -0.119 102 HA HIS 15 HA HIS 15 2.109 -7.586 -0.466 103 HB2 HIS 15 2HB HIS 15 4.055 -9.039 -0.191 104 HB3 HIS 15 1HB HIS 15 4.285 -8.452 1.452 105 HD1 HIS 15 1HD HIS 15 3.977 -10.775 2.484 106 HD2 HIS 15 2HD HIS 15 0.693 -9.496 0.265 107 HE1 HIS 15 1HE HIS 15 2.133 -12.409 2.997 108 HE2 HIS 15 2HE HIS 15 0.271 -11.782 1.415 109 H TYR 16 H TYR 16 3.667 -6.020 2.345 110 HA TYR 16 HA TYR 16 1.483 -6.682 4.074 111 HB2 TYR 16 2HB TYR 16 3.904 -6.285 4.765 112 HB3 TYR 16 1HB TYR 16 3.562 -4.566 4.603 113 HD1 TYR 16 2HD TYR 16 1.000 -6.874 5.844 114 HD2 TYR 16 1HD TYR 16 4.067 -4.137 6.938 115 HE1 TYR 16 2HE TYR 16 0.136 -6.845 8.144 116 HE2 TYR 16 1HE TYR 16 3.219 -4.101 9.247 117 HH TYR 16 HH TYR 16 1.265 -4.575 10.504 118 H PHE 17 H PHE 17 2.163 -3.996 1.965 119 HA PHE 17 HA PHE 17 0.163 -2.283 3.145 120 HB2 PHE 17 2HB PHE 17 2.083 -1.336 1.935 121 HB3 PHE 17 1HB PHE 17 1.515 -2.098 0.464 122 HD1 PHE 17 1HD PHE 17 0.085 0.033 3.141 123 HD2 PHE 17 2HD PHE 17 0.491 -0.682 -1.037 124 HE1 PHE 17 1HE PHE 17 -1.244 2.057 2.675 125 HE2 PHE 17 2HE PHE 17 -0.859 1.317 -1.512 126 HZ PHE 17 HZ PHE 17 -1.731 2.686 0.337 127 H TRP 18 H TRP 18 0.348 -4.706 0.621 128 HA TRP 18 HA TRP 18 -2.343 -4.257 -0.357 129 HB2 TRP 18 2HB TRP 18 -0.537 -5.393 -1.694 130 HB3 TRP 18 1HB TRP 18 -0.635 -6.744 -0.582 131 HD1 TRP 18 HD TRP 18 -1.061 -8.198 -2.776 132 HE1 TRP 18 1HE TRP 18 -3.206 -8.792 -4.053 133 HE3 TRP 18 3HE TRP 18 -4.231 -4.494 -1.047 134 HZ2 TRP 18 2HZ TRP 18 -5.805 -7.922 -4.293 135 HZ3 TRP 18 3HZ TRP 18 -6.547 -4.494 -1.912 136 HH2 TRP 18 HH TRP 18 -7.303 -6.169 -3.492 137 H LEU 19 H LEU 19 -0.739 -6.054 2.114 138 HA LEU 19 HA LEU 19 -2.964 -7.667 2.899 139 HB2 LEU 19 2HB LEU 19 -0.380 -7.877 3.457 140 HB3 LEU 19 1HB LEU 19 -0.773 -6.795 4.776 141 HG LEU 19 HG LEU 19 -2.291 -9.360 4.430 142 HD11 LEU 19 1HD1 LEU 19 -0.658 -10.322 6.086 143 HD12 LEU 19 2HD1 LEU 19 0.411 -8.970 5.698 144 HD13 LEU 19 3HD1 LEU 19 -0.044 -10.125 4.446 145 HD21 LEU 19 3HD2 LEU 19 -3.143 -7.692 5.992 146 HD22 LEU 19 1HD2 LEU 19 -1.577 -7.651 6.810 147 HD23 LEU 19 2HD2 LEU 19 -2.558 -9.121 6.845 148 H LEU 20 H LEU 20 -1.596 -4.579 3.705 149 HA LEU 20 HA LEU 20 -3.386 -3.798 5.752 150 HB2 LEU 20 2HB LEU 20 -1.116 -2.794 4.964 151 HB3 LEU 20 1HB LEU 20 -2.078 -1.917 3.797 152 HG LEU 20 HG LEU 20 -1.536 -0.515 5.702 153 HD11 LEU 20 1HD1 LEU 20 -3.867 0.125 6.353 154 HD12 LEU 20 2HD1 LEU 20 -4.443 -1.298 5.479 155 HD13 LEU 20 3HD1 LEU 20 -3.596 -0.015 4.616 156 HD21 LEU 20 3HD2 LEU 20 -1.312 -2.310 7.353 157 HD22 LEU 20 1HD2 LEU 20 -3.061 -2.574 7.325 158 HD23 LEU 20 2HD2 LEU 20 -2.401 -1.046 7.926 159 H LEU 21 H LEU 21 -3.353 -3.115 2.236 160 HA LEU 21 HA LEU 21 -5.615 -1.432 2.267 161 HB2 LEU 21 2HB LEU 21 -3.583 -1.629 0.696 162 HB3 LEU 21 1HB LEU 21 -4.457 -2.897 -0.082 163 HG LEU 21 HG LEU 21 -4.891 -1.093 -1.444 164 HD11 LEU 21 1HD1 LEU 21 -7.025 -2.072 -0.752 165 HD12 LEU 21 2HD1 LEU 21 -7.160 -0.360 -1.160 166 HD13 LEU 21 3HD1 LEU 21 -7.144 -0.864 0.534 167 HD21 LEU 21 3HD2 LEU 21 -5.015 0.575 1.048 168 HD22 LEU 21 1HD2 LEU 21 -5.305 1.183 -0.587 169 HD23 LEU 21 2HD2 LEU 21 -3.729 0.516 -0.158 170 H GLN 22 H GLN 22 -5.085 -4.880 1.513 171 HA GLN 22 HA GLN 22 -7.756 -5.281 0.545 172 HB2 GLN 22 2HB GLN 22 -5.849 -6.661 -0.204 173 HB3 GLN 22 1HB GLN 22 -5.707 -7.330 1.414 174 HG2 GLN 22 2HG GLN 22 -7.897 -8.339 1.221 175 HG3 GLN 22 1HG GLN 22 -8.111 -7.605 -0.362 176 HE21 GLN 22 1HE2 GLN 22 -8.389 -9.593 -1.370 177 HE22 GLN 22 2HE2 GLN 22 -7.079 -10.689 -1.635 178 H ARG 23 H ARG 23 -6.131 -5.755 3.627 179 HA ARG 23 HA ARG 23 -8.211 -7.110 4.961 180 HB2 ARG 23 2HB ARG 23 -6.155 -7.133 6.069 181 HB3 ARG 23 1HB ARG 23 -5.901 -5.411 5.843 182 HG2 ARG 23 2HG ARG 23 -8.233 -6.016 7.475 183 HG3 ARG 23 1HG ARG 23 -6.723 -6.639 8.148 184 HD2 ARG 23 2HD ARG 23 -7.329 -3.791 7.353 185 HD3 ARG 23 1HD ARG 23 -7.104 -4.413 8.988 186 HE ARG 23 HE ARG 23 -4.996 -4.046 6.971 187 HH11 ARG 23 1HH1 ARG 23 -5.940 -4.660 10.287 188 HH12 ARG 23 2HH1 ARG 23 -4.319 -4.532 10.892 189 HH21 ARG 23 1HH2 ARG 23 -2.900 -3.887 7.764 190 HH22 ARG 23 2HH2 ARG 23 -2.609 -4.036 9.455 191 H THR 24 H THR 24 -7.635 -3.755 4.236 192 HA THR 24 HA THR 24 -9.828 -2.841 5.871 193 HB THR 24 HB THR 24 -8.278 -1.295 3.784 194 HG1 THR 24 1HG THR 24 -6.714 -1.678 5.225 195 HG21 THR 24 3HG2 THR 24 -9.983 -0.423 6.119 196 HG22 THR 24 1HG2 THR 24 -10.387 -0.248 4.405 197 HG23 THR 24 2HG2 THR 24 -9.030 0.655 5.099 198 H TYR 25 H TYR 25 -9.108 -2.779 2.376 199 HA TYR 25 HA TYR 25 -12.000 -2.671 1.874 200 HB2 TYR 25 2HB TYR 25 -9.767 -1.995 -0.049 201 HB3 TYR 25 1HB TYR 25 -11.487 -1.707 -0.280 202 HD1 TYR 25 2HD TYR 25 -11.958 -0.689 2.628 203 HD2 TYR 25 1HD TYR 25 -9.085 0.275 -0.361 204 HE1 TYR 25 2HE TYR 25 -11.704 1.549 3.595 205 HE2 TYR 25 1HE TYR 25 -8.828 2.520 0.617 206 HH TYR 25 HH TYR 25 -9.960 4.049 1.994 207 H THR 26 H THR 26 -12.708 -4.666 1.685 208 HA THR 26 HA THR 26 -10.980 -6.783 0.713 209 HB THR 26 HB THR 26 -13.611 -7.676 1.430 210 HG1 THR 26 1HG THR 26 -12.312 -5.996 3.348 211 HG21 THR 26 3HG2 THR 26 -11.593 -9.035 1.600 212 HG22 THR 26 1HG2 THR 26 -12.365 -8.890 3.177 213 HG23 THR 26 2HG2 THR 26 -10.929 -7.934 2.807 214 H LYS 27 H LYS 27 -13.015 -8.562 -0.033 215 HA LYS 27 HA LYS 27 -13.475 -7.748 -2.764 216 HB2 LYS 27 2HB LYS 27 -14.457 -10.176 -2.751 217 HB3 LYS 27 1HB LYS 27 -12.717 -9.934 -2.623 218 HG2 LYS 27 2HG LYS 27 -12.820 -10.186 -0.223 219 HG3 LYS 27 1HG LYS 27 -14.567 -10.351 -0.288 220 HD2 LYS 27 2HD LYS 27 -13.600 -12.536 -0.060 221 HD3 LYS 27 1HD LYS 27 -14.241 -12.392 -1.698 222 HE2 LYS 27 2HE LYS 27 -12.006 -11.894 -2.535 223 HE3 LYS 27 1HE LYS 27 -11.358 -12.005 -0.899 224 HZ1 LYS 27 3HZ LYS 27 -12.702 -14.235 -2.319 225 HZ2 LYS 27 1HZ LYS 27 -11.907 -14.315 -0.827 226 HZ3 LYS 27 2HZ LYS 27 -11.023 -14.027 -2.243 227 H THR 28 H THR 28 -15.218 -7.847 0.193 228 HA THR 28 HA THR 28 -17.626 -7.033 -1.222 229 HB THR 28 HB THR 28 -17.948 -9.419 -0.927 230 HG1 THR 28 1HG THR 28 -19.575 -8.381 1.120 231 HG21 THR 28 3HG2 THR 28 -17.593 -8.941 2.032 232 HG22 THR 28 1HG2 THR 28 -16.411 -9.718 0.979 233 HG23 THR 28 2HG2 THR 28 -17.982 -10.478 1.255 234 H GLY 29 H GLY 29 -15.836 -7.254 1.817 235 HA2 GLY 29 2HA GLY 29 -17.470 -5.918 3.497 236 HA3 GLY 29 1HA GLY 29 -15.730 -5.873 3.606 237 H LYS 30 H LYS 30 -14.593 -4.173 2.605 238 HA LYS 30 HA LYS 30 -16.240 -1.910 1.704 239 HB2 LYS 30 2HB LYS 30 -13.689 -2.085 3.160 240 HB3 LYS 30 1HB LYS 30 -13.646 -0.980 1.802 241 HG2 LYS 30 2HG LYS 30 -14.223 0.333 3.642 242 HG3 LYS 30 1HG LYS 30 -15.730 0.083 2.765 243 HD2 LYS 30 2HD LYS 30 -16.417 -1.610 4.348 244 HD3 LYS 30 1HD LYS 30 -14.860 -1.513 5.177 245 HE2 LYS 30 2HE LYS 30 -15.347 0.879 5.669 246 HE3 LYS 30 1HE LYS 30 -16.950 0.654 4.976 247 HZ1 LYS 30 3HZ LYS 30 -15.898 -0.860 7.309 248 HZ2 LYS 30 1HZ LYS 30 -17.477 -0.923 6.689 249 HZ3 LYS 30 2HZ LYS 30 -16.906 0.500 7.414 250 HA PRO 31 HA PRO 31 -14.834 -3.047 -2.396 251 HB2 PRO 31 2HB PRO 31 -15.820 -0.414 -3.214 252 HB3 PRO 31 1HB PRO 31 -16.389 -2.011 -3.700 253 HG2 PRO 31 2HG PRO 31 -17.840 -0.378 -2.113 254 HG3 PRO 31 1HG PRO 31 -17.898 -2.145 -1.968 255 HD2 PRO 31 2HD PRO 31 -16.436 -0.148 -0.286 256 HD3 PRO 31 1HD PRO 31 -17.308 -1.618 0.208 257 H LYS 32 H LYS 32 -12.759 -2.798 -3.140 258 HA LYS 32 HA LYS 32 -10.934 -0.921 -2.378 259 HB2 LYS 32 2HB LYS 32 -10.815 -3.067 -3.924 260 HB3 LYS 32 1HB LYS 32 -10.940 -1.884 -5.212 261 HG2 LYS 32 2HG LYS 32 -8.930 -0.819 -4.527 262 HG3 LYS 32 1HG LYS 32 -8.837 -1.795 -3.067 263 HD2 LYS 32 2HD LYS 32 -7.620 -3.246 -4.188 264 HD3 LYS 32 1HD LYS 32 -9.035 -3.596 -5.191 265 HE2 LYS 32 2HE LYS 32 -7.043 -1.424 -5.650 266 HE3 LYS 32 1HE LYS 32 -7.118 -2.932 -6.549 267 HZ1 LYS 32 3HZ LYS 32 -9.479 -2.220 -7.143 268 HZ2 LYS 32 1HZ LYS 32 -8.228 -1.338 -7.880 269 HZ3 LYS 32 2HZ LYS 32 -9.056 -0.693 -6.554 270 HA PRO 33 HA PRO 33 -12.817 2.736 -3.701 271 HB2 PRO 33 2HB PRO 33 -10.250 4.121 -3.666 272 HB3 PRO 33 1HB PRO 33 -11.587 4.233 -2.531 273 HG2 PRO 33 2HG PRO 33 -9.186 3.108 -1.980 274 HG3 PRO 33 1HG PRO 33 -10.690 2.682 -1.177 275 HD2 PRO 33 2HD PRO 33 -9.212 1.263 -3.306 276 HD3 PRO 33 1HD PRO 33 -10.119 0.596 -1.937 277 H SER 34 H SER 34 -13.000 4.285 -5.361 278 HA SER 34 HA SER 34 -12.258 3.180 -7.919 279 HB2 SER 34 2HB SER 34 -13.694 5.791 -7.393 280 HB3 SER 34 1HB SER 34 -13.756 4.798 -8.850 281 HG SER 34 HG SER 34 -15.299 3.688 -7.969 282 H THR 35 H THR 35 -11.197 5.642 -5.815 283 HA THR 35 HA THR 35 -8.978 6.269 -7.612 284 HB THR 35 HB THR 35 -10.444 8.467 -6.149 285 HG1 THR 35 1HG THR 35 -10.953 7.283 -8.636 286 HG21 THR 35 3HG2 THR 35 -8.415 8.457 -8.382 287 HG22 THR 35 1HG2 THR 35 -8.131 8.945 -6.713 288 HG23 THR 35 2HG2 THR 35 -9.206 9.898 -7.740 289 H TRP 36 H TRP 36 -7.083 6.799 -6.488 290 HA TRP 36 HA TRP 36 -6.855 5.589 -3.958 291 HB2 TRP 36 2HB TRP 36 -4.959 5.432 -5.269 292 HB3 TRP 36 1HB TRP 36 -4.981 7.121 -5.687 293 HD1 TRP 36 HD TRP 36 -3.115 8.466 -4.561 294 HE1 TRP 36 1HE TRP 36 -1.648 8.201 -2.447 295 HE3 TRP 36 3HE TRP 36 -5.297 4.278 -2.568 296 HZ2 TRP 36 2HZ TRP 36 -1.465 6.467 -0.256 297 HZ3 TRP 36 3HZ TRP 36 -4.407 3.389 -0.463 298 HH2 TRP 36 HH TRP 36 -2.530 4.462 0.668 299 H ASP 37 H ASP 37 -7.530 8.836 -4.899 300 HA ASP 37 HA ASP 37 -6.628 10.353 -2.781 301 HB2 ASP 37 2HB ASP 37 -7.689 11.336 -4.736 302 HB3 ASP 37 1HB ASP 37 -9.230 10.614 -4.296 303 H LEU 38 H LEU 38 -9.831 8.794 -2.995 304 HA LEU 38 HA LEU 38 -10.603 9.618 -0.379 305 HB2 LEU 38 2HB LEU 38 -12.433 7.838 -0.736 306 HB3 LEU 38 1HB LEU 38 -12.420 9.245 -1.782 307 HG LEU 38 HG LEU 38 -10.911 6.965 -2.849 308 HD11 LEU 38 1HD1 LEU 38 -12.690 5.717 -1.768 309 HD12 LEU 38 2HD1 LEU 38 -12.928 5.728 -3.517 310 HD13 LEU 38 3HD1 LEU 38 -13.898 6.783 -2.488 311 HD21 LEU 38 3HD2 LEU 38 -13.147 8.644 -3.978 312 HD22 LEU 38 1HD2 LEU 38 -12.036 7.614 -4.883 313 HD23 LEU 38 2HD2 LEU 38 -11.436 9.058 -4.067 314 H ALA 39 H ALA 39 -9.170 6.736 -1.742 315 HA ALA 39 HA ALA 39 -9.375 5.031 0.482 316 HB1 ALA 39 1HB ALA 39 -7.332 5.180 -1.734 317 HB2 ALA 39 2HB ALA 39 -8.757 4.116 -1.641 318 HB3 ALA 39 3HB ALA 39 -7.387 3.885 -0.531 319 H SER 40 H SER 40 -6.802 7.146 -0.629 320 HA SER 40 HA SER 40 -4.927 6.710 1.350 321 HB2 SER 40 2HB SER 40 -4.469 7.932 -0.716 322 HB3 SER 40 1HB SER 40 -5.519 9.237 -0.183 323 HG SER 40 HG SER 40 -3.946 10.017 0.964 324 H LYS 41 H LYS 41 -7.621 9.026 1.293 325 HA LYS 41 HA LYS 41 -6.961 10.386 3.654 326 HB2 LYS 41 2HB LYS 41 -8.748 11.054 1.993 327 HB3 LYS 41 1HB LYS 41 -9.777 9.827 2.711 328 HG2 LYS 41 2HG LYS 41 -8.825 11.326 4.858 329 HG3 LYS 41 1HG LYS 41 -9.220 12.504 3.606 330 HD2 LYS 41 2HD LYS 41 -11.115 12.014 5.129 331 HD3 LYS 41 1HD LYS 41 -11.466 11.640 3.440 332 HE2 LYS 41 2HE LYS 41 -11.468 9.378 3.798 333 HE3 LYS 41 1HE LYS 41 -10.367 9.486 5.166 334 HZ1 LYS 41 3HZ LYS 41 -12.730 8.876 5.694 335 HZ2 LYS 41 1HZ LYS 41 -13.166 10.465 5.280 336 HZ3 LYS 41 2HZ LYS 41 -12.106 10.187 6.575 337 H GLU 42 H GLU 42 -9.063 7.576 3.122 338 HA GLU 42 HA GLU 42 -9.719 7.296 5.908 339 HB2 GLU 42 2HB GLU 42 -11.040 6.588 3.761 340 HB3 GLU 42 1HB GLU 42 -10.057 5.136 3.851 341 HG2 GLU 42 2HG GLU 42 -12.096 4.638 4.908 342 HG3 GLU 42 1HG GLU 42 -10.905 4.832 6.195 343 H LEU 43 H LEU 43 -7.205 6.301 3.855 344 HA LEU 43 HA LEU 43 -6.434 3.890 5.177 345 HB2 LEU 43 2HB LEU 43 -5.872 5.167 2.768 346 HB3 LEU 43 1HB LEU 43 -4.361 5.241 3.650 347 HG LEU 43 HG LEU 43 -4.285 3.308 2.291 348 HD11 LEU 43 1HD1 LEU 43 -4.973 2.488 5.087 349 HD12 LEU 43 2HD1 LEU 43 -3.392 3.021 4.516 350 HD13 LEU 43 3HD1 LEU 43 -4.088 1.513 3.916 351 HD21 LEU 43 3HD2 LEU 43 -6.934 2.525 3.482 352 HD22 LEU 43 1HD2 LEU 43 -5.990 1.567 2.344 353 HD23 LEU 43 2HD2 LEU 43 -6.675 3.113 1.841 354 H GLY 44 H GLY 44 -5.839 7.252 5.752 355 HA2 GLY 44 2HA GLY 44 -3.111 7.104 6.367 356 HA3 GLY 44 1HA GLY 44 -4.154 8.410 6.842 357 H GLU 45 H GLU 45 -5.787 6.220 8.380 358 HA GLU 45 HA GLU 45 -4.408 6.538 10.782 359 HB2 GLU 45 2HB GLU 45 -6.136 5.320 11.863 360 HB3 GLU 45 1HB GLU 45 -6.895 6.308 10.625 361 HG2 GLU 45 2HG GLU 45 -7.467 4.500 9.340 362 HG3 GLU 45 1HG GLU 45 -6.157 3.501 9.972 363 H SER 46 H SER 46 -4.517 4.038 8.371 364 HA SER 46 HA SER 46 -3.124 2.137 10.069 365 HB2 SER 46 2HB SER 46 -3.819 1.908 7.133 366 HB3 SER 46 1HB SER 46 -3.369 0.596 8.223 367 HG SER 46 HG SER 46 -5.691 2.220 8.473 368 H LEU 47 H LEU 47 -1.031 2.292 10.336 369 HA LEU 47 HA LEU 47 0.374 4.317 8.982 370 HB2 LEU 47 2HB LEU 47 2.361 3.324 10.357 371 HB3 LEU 47 1HB LEU 47 1.097 4.260 11.124 372 HG LEU 47 HG LEU 47 1.843 2.291 12.429 373 HD11 LEU 47 1HD1 LEU 47 -0.394 3.220 12.771 374 HD12 LEU 47 2HD1 LEU 47 -0.351 1.478 13.054 375 HD13 LEU 47 3HD1 LEU 47 -1.030 2.113 11.559 376 HD21 LEU 47 3HD2 LEU 47 2.240 0.872 10.397 377 HD22 LEU 47 1HD2 LEU 47 0.500 0.594 10.352 378 HD23 LEU 47 2HD2 LEU 47 1.440 0.071 11.751 379 H GLU 48 H GLU 48 -0.163 1.238 7.797 380 HA GLU 48 HA GLU 48 2.461 0.895 6.669 381 HB2 GLU 48 2HB GLU 48 0.478 -0.844 6.913 382 HB3 GLU 48 1HB GLU 48 -0.018 -0.179 5.368 383 HG2 GLU 48 2HG GLU 48 1.345 -2.236 5.212 384 HG3 GLU 48 1HG GLU 48 1.995 -0.855 4.340 385 H TYR 49 H TYR 49 -0.264 2.846 6.124 386 HA TYR 49 HA TYR 49 0.435 3.478 3.387 387 HB2 TYR 49 2HB TYR 49 -1.824 3.798 3.637 388 HB3 TYR 49 1HB TYR 49 -1.675 4.225 5.337 389 HD1 TYR 49 1HD TYR 49 -1.047 5.585 1.928 390 HD2 TYR 49 2HD TYR 49 -1.946 6.411 5.993 391 HE1 TYR 49 1HE TYR 49 -1.369 7.966 1.368 392 HE2 TYR 49 2HE TYR 49 -2.259 8.786 5.476 393 HH TYR 49 HH TYR 49 -2.560 9.965 2.321 394 H LYS 50 H LYS 50 1.351 4.399 6.553 395 HA LYS 50 HA LYS 50 2.650 6.818 5.593 396 HB2 LYS 50 2HB LYS 50 1.592 6.030 8.051 397 HB3 LYS 50 1HB LYS 50 3.334 6.086 8.307 398 HG2 LYS 50 2HG LYS 50 3.450 8.356 7.872 399 HG3 LYS 50 1HG LYS 50 1.968 8.343 6.920 400 HD2 LYS 50 2HD LYS 50 2.140 8.015 9.915 401 HD3 LYS 50 1HD LYS 50 1.620 9.467 9.058 402 HE2 LYS 50 2HE LYS 50 -0.148 7.964 7.972 403 HE3 LYS 50 1HE LYS 50 0.245 6.803 9.238 404 HZ1 LYS 50 3HZ LYS 50 -0.721 9.582 9.663 405 HZ2 LYS 50 1HZ LYS 50 -0.331 8.481 10.889 406 HZ3 LYS 50 2HZ LYS 50 -1.636 8.169 9.864 407 H ALA 51 H ALA 51 3.216 3.558 5.624 408 HA ALA 51 HA ALA 51 6.061 3.613 6.166 409 HB1 ALA 51 1HB ALA 51 4.720 1.676 6.785 410 HB2 ALA 51 2HB ALA 51 5.973 1.232 5.626 411 HB3 ALA 51 3HB ALA 51 4.301 1.413 5.094 412 H LEU 52 H LEU 52 4.246 4.545 3.622 413 HA LEU 52 HA LEU 52 6.313 3.863 1.622 414 HB2 LEU 52 2HB LEU 52 3.349 4.274 1.304 415 HB3 LEU 52 1HB LEU 52 4.480 4.253 -0.037 416 HG LEU 52 HG LEU 52 4.702 1.928 1.734 417 HD11 LEU 52 1HD1 LEU 52 2.365 2.086 -0.103 418 HD12 LEU 52 2HD1 LEU 52 2.226 2.578 1.579 419 HD13 LEU 52 3HD1 LEU 52 2.693 0.923 1.182 420 HD21 LEU 52 3HD2 LEU 52 5.816 2.429 -0.467 421 HD22 LEU 52 1HD2 LEU 52 4.255 2.112 -1.226 422 HD23 LEU 52 2HD2 LEU 52 5.066 0.836 -0.310 423 H GLY 53 H GLY 53 6.070 6.039 3.610 424 HA2 GLY 53 2HA GLY 53 5.459 8.478 2.376 425 HA3 GLY 53 1HA GLY 53 6.603 8.285 3.686 426 H ASP 54 H ASP 54 8.123 6.397 1.939 427 HA ASP 54 HA ASP 54 9.427 8.443 0.294 428 HB2 ASP 54 2HB ASP 54 10.386 5.697 1.134 429 HB3 ASP 54 1HB ASP 54 11.263 6.841 0.145 430 H GLU 55 H GLU 55 8.274 5.140 0.280 431 HA GLU 55 HA GLU 55 8.194 4.820 -2.557 432 HB2 GLU 55 2HB GLU 55 6.598 3.292 -0.506 433 HB3 GLU 55 1HB GLU 55 7.122 2.745 -2.085 434 HG2 GLU 55 2HG GLU 55 8.521 1.593 -0.717 435 HG3 GLU 55 1HG GLU 55 9.503 2.988 -1.097 436 H ASP 56 H ASP 56 6.974 7.209 -2.060 437 HA ASP 56 HA ASP 56 4.257 7.192 -1.310 438 HB2 ASP 56 2HB ASP 56 5.652 9.208 -1.312 439 HB3 ASP 56 1HB ASP 56 5.810 9.136 -3.061 440 H ASN 57 H ASN 57 5.762 7.254 -4.562 441 HA ASN 57 HA ASN 57 3.155 7.230 -5.830 442 HB2 ASN 57 2HB ASN 57 4.763 6.752 -7.894 443 HB3 ASN 57 1HB ASN 57 4.659 8.359 -7.180 444 HD21 ASN 57 1HD2 ASN 57 6.252 5.576 -5.791 445 HD22 ASN 57 2HD2 ASN 57 7.828 6.244 -5.804 446 H ILE 58 H ILE 58 5.360 4.890 -4.597 447 HA ILE 58 HA ILE 58 4.586 2.675 -6.197 448 HB ILE 58 HB ILE 58 5.430 2.650 -3.319 449 HG12 ILE 58 2HG1 ILE 58 7.100 3.991 -4.179 450 HG13 ILE 58 1HG1 ILE 58 7.791 2.374 -4.244 451 HG21 ILE 58 1HG2 ILE 58 6.502 0.508 -3.925 452 HG22 ILE 58 2HG2 ILE 58 5.866 0.682 -5.561 453 HG23 ILE 58 3HG2 ILE 58 4.760 0.496 -4.199 454 HD11 ILE 58 3HD1 ILE 58 7.014 2.320 -6.659 455 HD12 ILE 58 1HD1 ILE 58 8.357 3.401 -6.271 456 HD13 ILE 58 2HD1 ILE 58 6.732 4.060 -6.472 457 H ARG 59 H ARG 59 3.833 3.864 -2.971 458 HA ARG 59 HA ARG 59 1.909 2.153 -2.096 459 HB2 ARG 59 2HB ARG 59 2.662 3.774 -0.599 460 HB3 ARG 59 1HB ARG 59 2.388 5.095 -1.716 461 HG2 ARG 59 2HG ARG 59 0.000 4.918 -1.333 462 HG3 ARG 59 1HG ARG 59 0.277 3.565 -0.261 463 HD2 ARG 59 2HD ARG 59 0.046 6.037 0.650 464 HD3 ARG 59 1HD ARG 59 1.063 4.823 1.420 465 HE ARG 59 HE ARG 59 2.967 5.824 0.269 466 HH11 ARG 59 1HH1 ARG 59 0.062 7.842 0.363 467 HH12 ARG 59 2HH1 ARG 59 0.987 9.310 0.316 468 HH21 ARG 59 1HH2 ARG 59 4.101 7.711 0.263 469 HH22 ARG 59 2HH2 ARG 59 3.253 9.219 0.172 470 H ARG 60 H ARG 60 1.335 5.113 -3.952 471 HA ARG 60 HA ARG 60 -1.458 4.741 -4.072 472 HB2 ARG 60 2HB ARG 60 -1.158 6.401 -6.072 473 HB3 ARG 60 1HB ARG 60 -0.832 6.942 -4.429 474 HG2 ARG 60 2HG ARG 60 1.483 6.825 -4.732 475 HG3 ARG 60 1HG ARG 60 1.328 5.868 -6.192 476 HD2 ARG 60 2HD ARG 60 1.280 8.741 -5.828 477 HD3 ARG 60 1HD ARG 60 1.621 7.787 -7.266 478 HE ARG 60 HE ARG 60 -0.860 7.541 -7.476 479 HH11 ARG 60 1HH1 ARG 60 0.533 10.302 -5.816 480 HH12 ARG 60 2HH1 ARG 60 -0.838 11.317 -6.146 481 HH21 ARG 60 1HH2 ARG 60 -2.611 8.858 -7.899 482 HH22 ARG 60 2HH2 ARG 60 -2.607 10.486 -7.322 483 H GLN 61 H GLN 61 1.189 3.812 -6.228 484 HA GLN 61 HA GLN 61 -0.571 3.156 -8.391 485 HB2 GLN 61 2HB GLN 61 2.370 2.937 -7.911 486 HB3 GLN 61 1HB GLN 61 1.656 1.992 -9.216 487 HG2 GLN 61 2HG GLN 61 1.546 4.972 -8.849 488 HG3 GLN 61 1HG GLN 61 2.364 4.071 -10.134 489 HE21 GLN 61 1HE2 GLN 61 -0.699 5.012 -8.806 490 HE22 GLN 61 2HE2 GLN 61 -1.665 4.604 -10.170 491 H ILE 62 H ILE 62 1.203 1.164 -5.964 492 HA ILE 62 HA ILE 62 0.389 -1.317 -7.051 493 HB ILE 62 HB ILE 62 0.447 -1.270 -4.104 494 HG12 ILE 62 2HG1 ILE 62 3.131 -1.125 -5.357 495 HG13 ILE 62 1HG1 ILE 62 2.283 0.389 -5.079 496 HG21 ILE 62 1HG2 ILE 62 1.855 -3.223 -4.472 497 HG22 ILE 62 2HG2 ILE 62 1.889 -2.873 -6.199 498 HG23 ILE 62 3HG2 ILE 62 0.368 -3.314 -5.419 499 HD11 ILE 62 3HD1 ILE 62 2.793 -1.694 -2.977 500 HD12 ILE 62 1HD1 ILE 62 2.073 -0.101 -2.728 501 HD13 ILE 62 2HD1 ILE 62 3.767 -0.242 -3.216 502 H PHE 63 H PHE 63 -1.071 0.765 -4.544 503 HA PHE 63 HA PHE 63 -3.280 -0.703 -3.892 504 HB2 PHE 63 2HB PHE 63 -3.216 1.244 -2.715 505 HB3 PHE 63 1HB PHE 63 -2.785 2.190 -4.130 506 HD1 PHE 63 2HD PHE 63 -5.543 0.341 -2.562 507 HD2 PHE 63 1HD PHE 63 -4.453 3.410 -5.317 508 HE1 PHE 63 2HE PHE 63 -7.914 0.950 -2.818 509 HE2 PHE 63 1HE PHE 63 -6.830 4.012 -5.576 510 HZ PHE 63 HZ PHE 63 -8.555 2.773 -4.317 511 H GLU 64 H GLU 64 -2.917 1.453 -6.608 512 HA GLU 64 HA GLU 64 -5.456 1.235 -7.718 513 HB2 GLU 64 2HB GLU 64 -3.406 2.777 -8.248 514 HB3 GLU 64 1HB GLU 64 -2.975 1.516 -9.390 515 HG2 GLU 64 2HG GLU 64 -5.109 1.817 -10.532 516 HG3 GLU 64 1HG GLU 64 -5.550 3.070 -9.372 517 H ASP 65 H ASP 65 -2.546 -0.682 -8.187 518 HA ASP 65 HA ASP 65 -3.715 -2.300 -10.279 519 HB2 ASP 65 2HB ASP 65 -1.293 -1.463 -10.134 520 HB3 ASP 65 1HB ASP 65 -1.048 -2.741 -8.953 521 H PHE 66 H PHE 66 -3.971 -2.489 -6.929 522 HA PHE 66 HA PHE 66 -2.961 -4.937 -6.182 523 HB2 PHE 66 2HB PHE 66 -5.145 -3.182 -5.196 524 HB3 PHE 66 1HB PHE 66 -4.974 -4.779 -4.494 525 HD1 PHE 66 2HD PHE 66 -1.800 -4.574 -4.937 526 HD2 PHE 66 1HD PHE 66 -4.774 -2.246 -2.986 527 HE1 PHE 66 2HE PHE 66 -0.109 -3.745 -3.350 528 HE2 PHE 66 1HE PHE 66 -3.105 -1.429 -1.384 529 HZ PHE 66 HZ PHE 66 -0.759 -2.170 -1.573 530 H LYS 67 H LYS 67 -6.339 -4.345 -7.035 531 HA LYS 67 HA LYS 67 -8.022 -5.598 -7.826 532 HB2 LYS 67 2HB LYS 67 -6.018 -7.731 -8.583 533 HB3 LYS 67 1HB LYS 67 -7.615 -7.488 -9.247 534 HG2 LYS 67 2HG LYS 67 -5.168 -5.805 -9.695 535 HG3 LYS 67 1HG LYS 67 -6.063 -6.760 -10.876 536 HD2 LYS 67 2HD LYS 67 -7.900 -4.956 -9.721 537 HD3 LYS 67 1HD LYS 67 -6.447 -4.033 -10.095 538 HE2 LYS 67 2HE LYS 67 -7.958 -5.794 -12.030 539 HE3 LYS 67 1HE LYS 67 -8.058 -4.039 -11.957 540 HZ1 LYS 67 3HZ LYS 67 -6.580 -4.630 -13.696 541 HZ2 LYS 67 1HZ LYS 67 -5.680 -5.663 -12.696 542 HZ3 LYS 67 2HZ LYS 67 -5.635 -3.991 -12.444 543 HA PRO 68 HA PRO 68 -8.598 -8.031 -4.118 544 HB2 PRO 68 2HB PRO 68 -11.427 -7.645 -4.357 545 HB3 PRO 68 1HB PRO 68 -10.300 -6.785 -3.309 546 HG2 PRO 68 2HG PRO 68 -11.621 -5.632 -5.448 547 HG3 PRO 68 1HG PRO 68 -10.131 -5.010 -4.739 548 HD2 PRO 68 2HD PRO 68 -10.556 -6.706 -7.159 549 HD3 PRO 68 1HD PRO 68 -9.494 -5.313 -6.916 550 H GLU 69 H GLU 69 -11.047 -9.322 -3.740 551 HA GLU 69 HA GLU 69 -11.948 -11.361 -3.850 552 HB2 GLU 69 2HB GLU 69 -11.470 -10.998 -6.801 553 HB3 GLU 69 1HB GLU 69 -12.310 -12.383 -6.121 554 HG2 GLU 69 2HG GLU 69 -13.838 -10.629 -5.014 555 HG3 GLU 69 1HG GLU 69 -13.167 -9.525 -6.217 Start of MODEL 15 1 H ASN 5 H ASN 5 19.795 -4.555 -0.186 2 HA ASN 5 HA ASN 5 17.873 -6.272 1.022 3 HB2 ASN 5 2HB ASN 5 20.095 -5.725 2.025 4 HB3 ASN 5 1HB ASN 5 19.482 -4.108 2.366 5 HD21 ASN 5 1HD2 ASN 5 17.690 -7.111 2.509 6 HD22 ASN 5 2HD2 ASN 5 17.358 -7.053 4.197 7 H GLU 6 H GLU 6 17.963 -3.053 0.040 8 HA GLU 6 HA GLU 6 15.864 -2.090 1.808 9 HB2 GLU 6 2HB GLU 6 16.873 -0.710 -0.670 10 HB3 GLU 6 1HB GLU 6 16.341 0.005 0.852 11 HG2 GLU 6 2HG GLU 6 18.742 -1.758 0.804 12 HG3 GLU 6 1HG GLU 6 18.884 -0.095 0.257 13 H ARG 7 H ARG 7 16.322 -3.393 -1.335 14 HA ARG 7 HA ARG 7 13.712 -2.852 -2.342 15 HB2 ARG 7 2HB ARG 7 16.141 -4.116 -3.234 16 HB3 ARG 7 1HB ARG 7 14.762 -5.135 -3.605 17 HG2 ARG 7 2HG ARG 7 15.250 -2.300 -4.463 18 HG3 ARG 7 1HG ARG 7 15.141 -3.739 -5.470 19 HD2 ARG 7 2HD ARG 7 12.745 -3.810 -4.193 20 HD3 ARG 7 1HD ARG 7 13.018 -2.073 -4.295 21 HE ARG 7 HE ARG 7 13.088 -3.811 -6.677 22 HH11 ARG 7 1HH1 ARG 7 12.103 -0.858 -5.068 23 HH12 ARG 7 2HH1 ARG 7 11.074 -0.343 -6.368 24 HH21 ARG 7 1HH2 ARG 7 11.728 -3.132 -8.392 25 HH22 ARG 7 2HH2 ARG 7 10.859 -1.624 -8.255 26 H ARG 8 H ARG 8 15.333 -5.619 -0.859 27 HA ARG 8 HA ARG 8 13.201 -7.399 -0.722 28 HB2 ARG 8 2HB ARG 8 15.520 -7.982 -0.155 29 HB3 ARG 8 1HB ARG 8 15.442 -6.957 1.266 30 HG2 ARG 8 2HG ARG 8 13.840 -8.424 2.303 31 HG3 ARG 8 1HG ARG 8 13.734 -9.405 0.838 32 HD2 ARG 8 2HD ARG 8 16.039 -10.078 1.066 33 HD3 ARG 8 1HD ARG 8 16.261 -8.984 2.428 34 HE ARG 8 HE ARG 8 14.336 -10.555 3.367 35 HH11 ARG 8 1HH1 ARG 8 17.266 -11.407 1.632 36 HH12 ARG 8 2HH1 ARG 8 17.466 -12.915 2.473 37 HH21 ARG 8 1HH2 ARG 8 14.615 -12.549 4.474 38 HH22 ARG 8 2HH2 ARG 8 15.980 -13.559 4.080 39 H ILE 9 H ILE 9 14.106 -4.746 1.443 40 HA ILE 9 HA ILE 9 12.031 -5.096 3.321 41 HB ILE 9 HB ILE 9 13.721 -2.737 2.511 42 HG12 ILE 9 2HG1 ILE 9 13.608 -4.331 5.071 43 HG13 ILE 9 1HG1 ILE 9 14.715 -4.664 3.740 44 HG21 ILE 9 1HG2 ILE 9 11.588 -1.819 3.263 45 HG22 ILE 9 2HG2 ILE 9 12.837 -1.535 4.474 46 HG23 ILE 9 3HG2 ILE 9 11.650 -2.816 4.718 47 HD11 ILE 9 3HD1 ILE 9 14.597 -2.163 5.401 48 HD12 ILE 9 1HD1 ILE 9 15.634 -2.397 3.994 49 HD13 ILE 9 2HD1 ILE 9 15.852 -3.403 5.428 50 H LEU 10 H LEU 10 12.248 -2.972 0.459 51 HA LEU 10 HA LEU 10 9.757 -1.718 0.842 52 HB2 LEU 10 2HB LEU 10 11.759 -0.957 -0.534 53 HB3 LEU 10 1HB LEU 10 11.183 -2.041 -1.789 54 HG LEU 10 HG LEU 10 8.999 -0.745 -1.734 55 HD11 LEU 10 1HD1 LEU 10 9.056 0.397 0.310 56 HD12 LEU 10 2HD1 LEU 10 9.357 1.654 -0.899 57 HD13 LEU 10 3HD1 LEU 10 10.695 0.984 0.041 58 HD21 LEU 10 3HD2 LEU 10 9.916 1.074 -3.110 59 HD22 LEU 10 1HD2 LEU 10 10.631 -0.487 -3.510 60 HD23 LEU 10 2HD2 LEU 10 11.539 0.675 -2.541 61 H GLU 11 H GLU 11 10.703 -4.548 -1.110 62 HA GLU 11 HA GLU 11 8.122 -4.836 -2.320 63 HB2 GLU 11 2HB GLU 11 10.352 -6.868 -2.028 64 HB3 GLU 11 1HB GLU 11 8.928 -7.062 -3.040 65 HG2 GLU 11 2HG GLU 11 10.961 -4.873 -3.364 66 HG3 GLU 11 1HG GLU 11 10.960 -6.381 -4.276 67 H GLN 12 H GLN 12 9.686 -6.192 0.553 68 HA GLN 12 HA GLN 12 7.619 -7.949 1.298 69 HB2 GLN 12 2HB GLN 12 9.831 -7.867 2.431 70 HB3 GLN 12 1HB GLN 12 9.392 -6.309 3.119 71 HG2 GLN 12 2HG GLN 12 7.434 -7.446 4.201 72 HG3 GLN 12 1HG GLN 12 8.129 -8.975 3.671 73 HE21 GLN 12 1HE2 GLN 12 9.951 -9.765 4.667 74 HE22 GLN 12 2HE2 GLN 12 10.571 -9.105 6.138 75 H LYS 13 H LYS 13 8.201 -4.544 1.966 76 HA LYS 13 HA LYS 13 5.907 -4.056 3.516 77 HB2 LYS 13 2HB LYS 13 8.089 -2.590 2.770 78 HB3 LYS 13 1HB LYS 13 6.821 -1.848 1.799 79 HG2 LYS 13 2HG LYS 13 6.994 -0.649 3.849 80 HG3 LYS 13 1HG LYS 13 5.483 -1.562 3.862 81 HD2 LYS 13 2HD LYS 13 6.508 -3.281 5.242 82 HD3 LYS 13 1HD LYS 13 8.050 -2.423 5.195 83 HE2 LYS 13 2HE LYS 13 6.986 -0.506 6.299 84 HE3 LYS 13 1HE LYS 13 5.477 -1.413 6.389 85 HZ1 LYS 13 3HZ LYS 13 6.603 -3.067 7.744 86 HZ2 LYS 13 1HZ LYS 13 6.677 -1.534 8.460 87 HZ3 LYS 13 2HZ LYS 13 8.038 -2.169 7.672 88 H LYS 14 H LYS 14 6.508 -4.010 0.062 89 HA LYS 14 HA LYS 14 4.157 -2.864 -0.866 90 HB2 LYS 14 2HB LYS 14 6.235 -3.505 -2.169 91 HB3 LYS 14 1HB LYS 14 5.634 -5.157 -2.164 92 HG2 LYS 14 2HG LYS 14 3.720 -4.563 -3.443 93 HG3 LYS 14 1HG LYS 14 4.089 -2.845 -3.300 94 HD2 LYS 14 2HD LYS 14 6.119 -4.664 -4.505 95 HD3 LYS 14 1HD LYS 14 4.718 -4.195 -5.468 96 HE2 LYS 14 2HE LYS 14 5.284 -1.904 -5.347 97 HE3 LYS 14 1HE LYS 14 6.473 -2.177 -4.075 98 HZ1 LYS 14 3HZ LYS 14 6.714 -3.286 -6.816 99 HZ2 LYS 14 1HZ LYS 14 7.892 -3.294 -5.592 100 HZ3 LYS 14 2HZ LYS 14 7.424 -1.832 -6.324 101 H HIS 15 H HIS 15 4.861 -6.298 -0.181 102 HA HIS 15 HA HIS 15 2.275 -7.240 -0.851 103 HB2 HIS 15 2HB HIS 15 4.125 -8.806 -0.715 104 HB3 HIS 15 1HB HIS 15 4.372 -8.428 0.984 105 HD1 HIS 15 1HD HIS 15 3.983 -10.847 1.782 106 HD2 HIS 15 2HD HIS 15 0.754 -9.220 -0.292 107 HE1 HIS 15 1HE HIS 15 2.062 -12.443 2.129 108 HE2 HIS 15 2HE HIS 15 0.146 -11.486 0.795 109 H TYR 16 H TYR 16 3.705 -6.179 2.219 110 HA TYR 16 HA TYR 16 1.378 -6.896 3.712 111 HB2 TYR 16 2HB TYR 16 3.897 -6.561 4.465 112 HB3 TYR 16 1HB TYR 16 3.327 -4.929 4.804 113 HD1 TYR 16 1HD TYR 16 1.184 -7.905 5.132 114 HD2 TYR 16 2HD TYR 16 3.605 -5.083 7.194 115 HE1 TYR 16 1HE TYR 16 0.271 -8.694 7.274 116 HE2 TYR 16 2HE TYR 16 2.698 -5.864 9.340 117 HH TYR 16 HH TYR 16 0.754 -7.011 10.211 118 H PHE 17 H PHE 17 2.329 -4.046 1.935 119 HA PHE 17 HA PHE 17 0.345 -2.358 3.111 120 HB2 PHE 17 2HB PHE 17 2.305 -1.473 1.831 121 HB3 PHE 17 1HB PHE 17 1.576 -2.126 0.375 122 HD1 PHE 17 2HD PHE 17 0.465 -0.122 3.283 123 HD2 PHE 17 1HD PHE 17 0.476 -0.585 -0.960 124 HE1 PHE 17 2HE PHE 17 -0.903 1.917 3.071 125 HE2 PHE 17 1HE PHE 17 -0.906 1.432 -1.171 126 HZ PHE 17 HZ PHE 17 -1.594 2.690 0.834 127 H TRP 18 H TRP 18 0.462 -4.744 0.599 128 HA TRP 18 HA TRP 18 -2.177 -4.172 -0.446 129 HB2 TRP 18 2HB TRP 18 -0.384 -5.368 -1.755 130 HB3 TRP 18 1HB TRP 18 -0.559 -6.730 -0.666 131 HD1 TRP 18 HD TRP 18 -0.957 -7.991 -3.070 132 HE1 TRP 18 1HE TRP 18 -3.136 -8.481 -4.334 133 HE3 TRP 18 3HE TRP 18 -4.081 -4.516 -0.882 134 HZ2 TRP 18 2HZ TRP 18 -5.756 -7.607 -4.410 135 HZ3 TRP 18 3HZ TRP 18 -6.436 -4.431 -1.680 136 HH2 TRP 18 HH TRP 18 -7.232 -5.949 -3.384 137 H LEU 19 H LEU 19 -0.687 -6.172 1.965 138 HA LEU 19 HA LEU 19 -3.036 -7.651 2.643 139 HB2 LEU 19 2HB LEU 19 -0.458 -8.090 3.128 140 HB3 LEU 19 1HB LEU 19 -0.799 -7.172 4.580 141 HG LEU 19 HG LEU 19 -2.495 -9.541 3.881 142 HD11 LEU 19 1HD1 LEU 19 -0.982 -10.914 5.275 143 HD12 LEU 19 2HD1 LEU 19 0.182 -9.587 5.270 144 HD13 LEU 19 3HD1 LEU 19 -0.244 -10.394 3.760 145 HD21 LEU 19 3HD2 LEU 19 -2.793 -9.613 6.286 146 HD22 LEU 19 1HD2 LEU 19 -3.189 -8.013 5.661 147 HD23 LEU 19 2HD2 LEU 19 -1.650 -8.281 6.480 148 H LEU 20 H LEU 20 -1.492 -4.680 3.597 149 HA LEU 20 HA LEU 20 -3.289 -3.925 5.681 150 HB2 LEU 20 2HB LEU 20 -0.994 -2.979 5.198 151 HB3 LEU 20 1HB LEU 20 -1.689 -2.119 3.843 152 HG LEU 20 HG LEU 20 -1.325 -0.676 5.745 153 HD11 LEU 20 1HD1 LEU 20 -3.591 0.272 6.025 154 HD12 LEU 20 2HD1 LEU 20 -4.263 -1.144 5.216 155 HD13 LEU 20 3HD1 LEU 20 -3.185 -0.057 4.338 156 HD21 LEU 20 3HD2 LEU 20 -1.404 -1.873 7.650 157 HD22 LEU 20 1HD2 LEU 20 -2.815 -2.809 7.150 158 HD23 LEU 20 2HD2 LEU 20 -3.020 -1.150 7.709 159 H LEU 21 H LEU 21 -3.156 -3.131 2.188 160 HA LEU 21 HA LEU 21 -5.401 -1.419 2.267 161 HB2 LEU 21 2HB LEU 21 -3.359 -1.573 0.694 162 HB3 LEU 21 1HB LEU 21 -4.245 -2.787 -0.146 163 HG LEU 21 HG LEU 21 -4.748 -0.979 -1.463 164 HD11 LEU 21 1HD1 LEU 21 -6.906 -1.717 -0.604 165 HD12 LEU 21 2HD1 LEU 21 -6.890 0.009 -0.965 166 HD13 LEU 21 3HD1 LEU 21 -6.785 -0.544 0.708 167 HD21 LEU 21 3HD2 LEU 21 -4.585 0.740 0.993 168 HD22 LEU 21 1HD2 LEU 21 -4.824 1.311 -0.662 169 HD23 LEU 21 2HD2 LEU 21 -3.324 0.494 -0.214 170 H GLN 22 H GLN 22 -4.931 -4.880 1.644 171 HA GLN 22 HA GLN 22 -7.635 -5.303 0.746 172 HB2 GLN 22 2HB GLN 22 -5.889 -6.843 0.017 173 HB3 GLN 22 1HB GLN 22 -5.553 -7.287 1.685 174 HG2 GLN 22 2HG GLN 22 -7.751 -8.289 1.895 175 HG3 GLN 22 1HG GLN 22 -8.156 -7.783 0.253 176 HE21 GLN 22 1HE2 GLN 22 -7.267 -8.875 -1.481 177 HE22 GLN 22 2HE2 GLN 22 -6.502 -10.415 -1.319 178 H ARG 23 H ARG 23 -5.882 -5.799 3.780 179 HA ARG 23 HA ARG 23 -7.775 -6.924 5.423 180 HB2 ARG 23 2HB ARG 23 -5.536 -6.311 6.210 181 HB3 ARG 23 1HB ARG 23 -5.914 -4.615 6.014 182 HG2 ARG 23 2HG ARG 23 -7.689 -4.889 7.741 183 HG3 ARG 23 1HG ARG 23 -7.060 -6.505 8.034 184 HD2 ARG 23 2HD ARG 23 -6.144 -4.804 9.576 185 HD3 ARG 23 1HD ARG 23 -4.915 -5.613 8.606 186 HE ARG 23 HE ARG 23 -5.058 -3.652 7.101 187 HH11 ARG 23 1HH1 ARG 23 -5.600 -3.377 10.542 188 HH12 ARG 23 2HH1 ARG 23 -5.583 -1.640 10.515 189 HH21 ARG 23 1HH2 ARG 23 -5.095 -1.448 7.054 190 HH22 ARG 23 2HH2 ARG 23 -5.228 -0.573 8.515 191 H THR 24 H THR 24 -7.319 -3.537 4.640 192 HA THR 24 HA THR 24 -9.582 -2.685 6.162 193 HB THR 24 HB THR 24 -8.145 -0.996 4.135 194 HG1 THR 24 1HG THR 24 -6.380 -1.602 5.203 195 HG21 THR 24 3HG2 THR 24 -10.039 -0.003 5.250 196 HG22 THR 24 1HG2 THR 24 -8.548 0.731 5.856 197 HG23 THR 24 2HG2 THR 24 -9.386 -0.482 6.832 198 H TYR 25 H TYR 25 -8.737 -2.478 2.703 199 HA TYR 25 HA TYR 25 -11.600 -2.227 2.115 200 HB2 TYR 25 2HB TYR 25 -9.281 -1.665 0.259 201 HB3 TYR 25 1HB TYR 25 -10.969 -1.258 -0.003 202 HD1 TYR 25 1HD TYR 25 -11.130 -0.330 3.114 203 HD2 TYR 25 2HD TYR 25 -8.723 0.666 -0.249 204 HE1 TYR 25 1HE TYR 25 -10.719 1.892 4.067 205 HE2 TYR 25 2HE TYR 25 -8.310 2.893 0.704 206 HH TYR 25 HH TYR 25 -9.145 4.394 2.253 207 H THR 26 H THR 26 -12.187 -4.349 2.177 208 HA THR 26 HA THR 26 -10.695 -6.381 0.776 209 HB THR 26 HB THR 26 -13.343 -7.180 1.630 210 HG1 THR 26 1HG THR 26 -11.674 -6.063 3.657 211 HG21 THR 26 3HG2 THR 26 -10.562 -7.883 2.597 212 HG22 THR 26 1HG2 THR 26 -11.473 -8.723 1.343 213 HG23 THR 26 2HG2 THR 26 -12.038 -8.756 3.013 214 H LYS 27 H LYS 27 -13.147 -7.860 0.096 215 HA LYS 27 HA LYS 27 -13.808 -6.493 -2.403 216 HB2 LYS 27 2HB LYS 27 -14.798 -8.934 -2.810 217 HB3 LYS 27 1HB LYS 27 -13.116 -8.527 -3.106 218 HG2 LYS 27 2HG LYS 27 -12.461 -9.451 -0.983 219 HG3 LYS 27 1HG LYS 27 -14.148 -9.753 -0.562 220 HD2 LYS 27 2HD LYS 27 -14.355 -11.467 -2.140 221 HD3 LYS 27 1HD LYS 27 -12.924 -10.942 -3.030 222 HE2 LYS 27 2HE LYS 27 -11.493 -11.663 -1.223 223 HE3 LYS 27 1HE LYS 27 -12.896 -12.084 -0.243 224 HZ1 LYS 27 3HZ LYS 27 -11.697 -13.942 -1.488 225 HZ2 LYS 27 1HZ LYS 27 -12.443 -13.337 -2.886 226 HZ3 LYS 27 2HZ LYS 27 -13.387 -13.895 -1.589 227 H THR 28 H THR 28 -15.126 -7.435 0.603 228 HA THR 28 HA THR 28 -17.784 -6.634 -0.350 229 HB THR 28 HB THR 28 -17.764 -9.069 0.000 230 HG1 THR 28 1HG THR 28 -19.342 -7.332 1.506 231 HG21 THR 28 3HG2 THR 28 -17.003 -8.350 2.830 232 HG22 THR 28 1HG2 THR 28 -16.027 -9.250 1.670 233 HG23 THR 28 2HG2 THR 28 -17.519 -9.956 2.302 234 H GLY 29 H GLY 29 -15.397 -6.595 2.200 235 HA2 GLY 29 2HA GLY 29 -16.885 -5.235 4.106 236 HA3 GLY 29 1HA GLY 29 -15.140 -5.282 4.032 237 H LYS 30 H LYS 30 -14.034 -3.564 3.196 238 HA LYS 30 HA LYS 30 -15.576 -1.240 2.353 239 HB2 LYS 30 2HB LYS 30 -12.651 -1.645 2.987 240 HB3 LYS 30 1HB LYS 30 -13.284 -0.139 2.342 241 HG2 LYS 30 2HG LYS 30 -14.138 -1.415 4.931 242 HG3 LYS 30 1HG LYS 30 -12.990 -0.081 4.774 243 HD2 LYS 30 2HD LYS 30 -14.725 1.298 3.753 244 HD3 LYS 30 1HD LYS 30 -15.870 -0.039 3.877 245 HE2 LYS 30 2HE LYS 30 -16.207 1.560 5.671 246 HE3 LYS 30 1HE LYS 30 -15.670 0.009 6.306 247 HZ1 LYS 30 3HZ LYS 30 -13.845 2.309 5.819 248 HZ2 LYS 30 1HZ LYS 30 -13.493 0.866 6.630 249 HZ3 LYS 30 2HZ LYS 30 -14.567 1.975 7.322 250 HA PRO 31 HA PRO 31 -14.884 -2.305 -1.955 251 HB2 PRO 31 2HB PRO 31 -15.414 0.248 -2.892 252 HB3 PRO 31 1HB PRO 31 -16.650 -0.988 -2.595 253 HG2 PRO 31 2HG PRO 31 -15.782 1.287 -0.856 254 HG3 PRO 31 1HG PRO 31 -17.417 0.674 -1.167 255 HD2 PRO 31 2HD PRO 31 -16.127 0.090 1.103 256 HD3 PRO 31 1HD PRO 31 -17.157 -1.117 0.295 257 H LYS 32 H LYS 32 -12.986 -2.240 -3.088 258 HA LYS 32 HA LYS 32 -10.865 -0.555 -2.324 259 HB2 LYS 32 2HB LYS 32 -10.385 -2.664 -3.376 260 HB3 LYS 32 1HB LYS 32 -11.275 -2.211 -4.811 261 HG2 LYS 32 2HG LYS 32 -9.517 -1.170 -5.700 262 HG3 LYS 32 1HG LYS 32 -9.132 -0.342 -4.193 263 HD2 LYS 32 2HD LYS 32 -8.503 -3.224 -4.728 264 HD3 LYS 32 1HD LYS 32 -7.367 -1.910 -5.001 265 HE2 LYS 32 2HE LYS 32 -6.841 -2.773 -2.881 266 HE3 LYS 32 1HE LYS 32 -7.712 -1.285 -2.577 267 HZ1 LYS 32 3HZ LYS 32 -9.695 -2.591 -2.112 268 HZ2 LYS 32 1HZ LYS 32 -8.427 -3.055 -1.094 269 HZ3 LYS 32 2HZ LYS 32 -8.852 -4.025 -2.410 270 HA PRO 33 HA PRO 33 -12.428 3.408 -3.576 271 HB2 PRO 33 2HB PRO 33 -9.462 3.428 -4.003 272 HB3 PRO 33 1HB PRO 33 -10.477 4.693 -3.349 273 HG2 PRO 33 2HG PRO 33 -9.119 3.048 -1.770 274 HG3 PRO 33 1HG PRO 33 -10.711 3.654 -1.324 275 HD2 PRO 33 2HD PRO 33 -9.897 0.990 -2.002 276 HD3 PRO 33 1HD PRO 33 -11.421 1.528 -1.289 277 H SER 34 H SER 34 -12.970 4.412 -5.384 278 HA SER 34 HA SER 34 -12.142 3.387 -7.962 279 HB2 SER 34 2HB SER 34 -13.879 5.781 -7.305 280 HB3 SER 34 1HB SER 34 -13.753 4.970 -8.868 281 HG SER 34 HG SER 34 -14.572 3.075 -7.816 282 H THR 35 H THR 35 -11.147 5.655 -5.721 283 HA THR 35 HA THR 35 -9.090 6.684 -7.498 284 HB THR 35 HB THR 35 -10.697 8.606 -5.804 285 HG1 THR 35 1HG THR 35 -11.494 9.298 -7.973 286 HG21 THR 35 3HG2 THR 35 -9.567 10.278 -7.215 287 HG22 THR 35 1HG2 THR 35 -8.711 8.977 -8.043 288 HG23 THR 35 2HG2 THR 35 -8.416 9.272 -6.331 289 H TRP 36 H TRP 36 -7.219 7.175 -6.394 290 HA TRP 36 HA TRP 36 -6.917 5.930 -3.869 291 HB2 TRP 36 2HB TRP 36 -5.084 5.720 -5.244 292 HB3 TRP 36 1HB TRP 36 -5.103 7.391 -5.711 293 HD1 TRP 36 HD TRP 36 -3.277 8.858 -4.593 294 HE1 TRP 36 1HE TRP 36 -1.669 8.568 -2.577 295 HE3 TRP 36 3HE TRP 36 -5.122 4.478 -2.752 296 HZ2 TRP 36 2HZ TRP 36 -1.299 6.699 -0.478 297 HZ3 TRP 36 3HZ TRP 36 -4.101 3.502 -0.751 298 HH2 TRP 36 HH TRP 36 -2.229 4.590 0.363 299 H ASP 37 H ASP 37 -8.048 8.989 -4.659 300 HA ASP 37 HA ASP 37 -6.981 10.561 -2.551 301 HB2 ASP 37 2HB ASP 37 -8.105 11.548 -4.515 302 HB3 ASP 37 1HB ASP 37 -9.630 10.854 -3.980 303 H LEU 38 H LEU 38 -10.129 8.921 -2.881 304 HA LEU 38 HA LEU 38 -10.928 9.432 -0.206 305 HB2 LEU 38 2HB LEU 38 -12.664 7.691 -0.645 306 HB3 LEU 38 1HB LEU 38 -12.621 8.982 -1.827 307 HG LEU 38 HG LEU 38 -10.960 6.863 -2.779 308 HD11 LEU 38 1HD1 LEU 38 -12.181 5.321 -1.396 309 HD12 LEU 38 2HD1 LEU 38 -12.699 5.128 -3.074 310 HD13 LEU 38 3HD1 LEU 38 -13.719 6.002 -1.929 311 HD21 LEU 38 3HD2 LEU 38 -12.047 8.521 -4.166 312 HD22 LEU 38 1HD2 LEU 38 -13.634 7.911 -3.685 313 HD23 LEU 38 2HD2 LEU 38 -12.553 6.894 -4.639 314 H ALA 39 H ALA 39 -9.083 6.984 -1.774 315 HA ALA 39 HA ALA 39 -9.197 4.980 0.210 316 HB1 ALA 39 1HB ALA 39 -7.215 4.071 -0.923 317 HB2 ALA 39 2HB ALA 39 -7.107 5.551 -1.883 318 HB3 ALA 39 3HB ALA 39 -8.516 4.488 -2.048 319 H SER 40 H SER 40 -6.765 7.436 -0.575 320 HA SER 40 HA SER 40 -5.108 6.786 1.606 321 HB2 SER 40 2HB SER 40 -4.034 8.985 1.113 322 HB3 SER 40 1HB SER 40 -4.161 7.907 -0.270 323 HG SER 40 HG SER 40 -5.636 9.185 -1.168 324 H LYS 41 H LYS 41 -7.942 8.815 1.351 325 HA LYS 41 HA LYS 41 -7.530 10.360 3.676 326 HB2 LYS 41 2HB LYS 41 -9.402 10.763 2.026 327 HB3 LYS 41 1HB LYS 41 -10.193 9.335 2.691 328 HG2 LYS 41 2HG LYS 41 -9.858 10.612 4.962 329 HG3 LYS 41 1HG LYS 41 -9.791 12.016 3.895 330 HD2 LYS 41 2HD LYS 41 -12.023 10.029 4.209 331 HD3 LYS 41 1HD LYS 41 -12.057 11.765 4.535 332 HE2 LYS 41 2HE LYS 41 -11.508 12.047 2.053 333 HE3 LYS 41 1HE LYS 41 -11.946 10.348 1.895 334 HZ1 LYS 41 3HZ LYS 41 -13.842 11.779 1.432 335 HZ2 LYS 41 1HZ LYS 41 -13.722 12.469 2.977 336 HZ3 LYS 41 2HZ LYS 41 -14.127 10.830 2.809 337 H GLU 42 H GLU 42 -9.291 7.264 3.235 338 HA GLU 42 HA GLU 42 -9.669 7.065 6.104 339 HB2 GLU 42 2HB GLU 42 -11.402 6.313 4.453 340 HB3 GLU 42 1HB GLU 42 -10.327 5.007 3.984 341 HG2 GLU 42 2HG GLU 42 -10.441 4.072 6.220 342 HG3 GLU 42 1HG GLU 42 -11.454 5.413 6.751 343 H LEU 43 H LEU 43 -7.426 5.995 3.745 344 HA LEU 43 HA LEU 43 -6.291 3.816 5.178 345 HB2 LEU 43 2HB LEU 43 -6.022 4.871 2.642 346 HB3 LEU 43 1HB LEU 43 -4.492 5.273 3.396 347 HG LEU 43 HG LEU 43 -4.164 3.221 2.283 348 HD11 LEU 43 1HD1 LEU 43 -3.713 1.635 4.091 349 HD12 LEU 43 2HD1 LEU 43 -4.658 2.645 5.188 350 HD13 LEU 43 3HD1 LEU 43 -3.170 3.270 4.478 351 HD21 LEU 43 3HD2 LEU 43 -6.500 2.657 1.929 352 HD22 LEU 43 1HD2 LEU 43 -6.671 2.242 3.634 353 HD23 LEU 43 2HD2 LEU 43 -5.619 1.279 2.596 354 H GLY 44 H GLY 44 -5.896 7.279 5.277 355 HA2 GLY 44 2HA GLY 44 -3.243 7.229 6.327 356 HA3 GLY 44 1HA GLY 44 -4.283 8.631 6.251 357 H GLU 45 H GLU 45 -3.585 5.721 7.973 358 HA GLU 45 HA GLU 45 -3.575 6.727 10.468 359 HB2 GLU 45 2HB GLU 45 -6.124 6.811 9.947 360 HB3 GLU 45 1HB GLU 45 -6.055 5.062 10.117 361 HG2 GLU 45 2HG GLU 45 -6.766 6.037 12.190 362 HG3 GLU 45 1HG GLU 45 -5.155 5.345 12.394 363 H SER 46 H SER 46 -4.190 4.040 8.317 364 HA SER 46 HA SER 46 -2.897 2.138 10.069 365 HB2 SER 46 2HB SER 46 -3.643 1.943 7.136 366 HB3 SER 46 1HB SER 46 -3.035 0.614 8.120 367 HG SER 46 HG SER 46 -5.391 2.075 8.739 368 H LEU 47 H LEU 47 -0.795 2.066 10.350 369 HA LEU 47 HA LEU 47 0.728 4.096 9.176 370 HB2 LEU 47 2HB LEU 47 2.644 2.897 10.492 371 HB3 LEU 47 1HB LEU 47 1.428 3.854 11.304 372 HG LEU 47 HG LEU 47 2.038 1.764 12.489 373 HD11 LEU 47 1HD1 LEU 47 -0.192 1.046 13.049 374 HD12 LEU 47 2HD1 LEU 47 -0.827 1.771 11.573 375 HD13 LEU 47 3HD1 LEU 47 -0.160 2.799 12.840 376 HD21 LEU 47 3HD2 LEU 47 1.527 -0.375 11.663 377 HD22 LEU 47 1HD2 LEU 47 2.389 0.464 10.375 378 HD23 LEU 47 2HD2 LEU 47 0.633 0.283 10.288 379 H GLU 48 H GLU 48 0.110 1.094 7.801 380 HA GLU 48 HA GLU 48 2.805 0.710 6.842 381 HB2 GLU 48 2HB GLU 48 0.710 -1.006 7.023 382 HB3 GLU 48 1HB GLU 48 0.542 -0.495 5.361 383 HG2 GLU 48 2HG GLU 48 1.863 -2.477 5.400 384 HG3 GLU 48 1HG GLU 48 2.881 -1.112 4.957 385 H TYR 49 H TYR 49 0.047 2.551 6.013 386 HA TYR 49 HA TYR 49 0.996 3.072 3.321 387 HB2 TYR 49 2HB TYR 49 -1.213 3.369 3.133 388 HB3 TYR 49 1HB TYR 49 -1.432 3.530 4.858 389 HD1 TYR 49 2HD TYR 49 -0.997 5.240 1.685 390 HD2 TYR 49 1HD TYR 49 -1.505 5.795 5.879 391 HE1 TYR 49 2HE TYR 49 -1.615 7.588 1.306 392 HE2 TYR 49 1HE TYR 49 -2.142 8.139 5.499 393 HH TYR 49 HH TYR 49 -3.148 9.335 2.746 394 H LYS 50 H LYS 50 1.533 4.127 6.461 395 HA LYS 50 HA LYS 50 2.752 6.628 5.612 396 HB2 LYS 50 2HB LYS 50 1.521 5.803 7.931 397 HB3 LYS 50 1HB LYS 50 3.224 5.721 8.356 398 HG2 LYS 50 2HG LYS 50 3.466 8.068 7.588 399 HG3 LYS 50 1HG LYS 50 1.725 8.105 7.312 400 HD2 LYS 50 2HD LYS 50 3.164 7.770 9.933 401 HD3 LYS 50 1HD LYS 50 2.117 9.094 9.430 402 HE2 LYS 50 2HE LYS 50 0.279 7.336 9.230 403 HE3 LYS 50 1HE LYS 50 1.359 6.278 10.134 404 HZ1 LYS 50 3HZ LYS 50 1.352 7.768 11.970 405 HZ2 LYS 50 1HZ LYS 50 -0.265 7.508 11.533 406 HZ3 LYS 50 2HZ LYS 50 0.510 8.952 11.098 407 H ALA 51 H ALA 51 3.459 3.374 5.762 408 HA ALA 51 HA ALA 51 6.298 3.638 6.382 409 HB1 ALA 51 1HB ALA 51 4.639 1.267 5.526 410 HB2 ALA 51 2HB ALA 51 5.130 1.659 7.175 411 HB3 ALA 51 3HB ALA 51 6.343 1.203 5.976 412 H LEU 52 H LEU 52 4.353 4.301 3.979 413 HA LEU 52 HA LEU 52 6.212 3.650 1.821 414 HB2 LEU 52 2HB LEU 52 4.422 1.949 2.052 415 HB3 LEU 52 1HB LEU 52 3.219 3.206 1.844 416 HG LEU 52 HG LEU 52 3.956 3.547 -0.434 417 HD11 LEU 52 1HD1 LEU 52 5.967 1.418 0.243 418 HD12 LEU 52 2HD1 LEU 52 6.292 3.069 -0.302 419 HD13 LEU 52 3HD1 LEU 52 5.570 1.897 -1.409 420 HD21 LEU 52 3HD2 LEU 52 3.303 1.332 -1.327 421 HD22 LEU 52 1HD2 LEU 52 2.237 1.907 -0.046 422 HD23 LEU 52 2HD2 LEU 52 3.451 0.675 0.304 423 H GLY 53 H GLY 53 5.596 6.036 3.408 424 HA2 GLY 53 2HA GLY 53 4.180 7.785 1.544 425 HA3 GLY 53 1HA GLY 53 4.718 8.214 3.158 426 H ASP 54 H ASP 54 7.015 6.560 1.481 427 HA ASP 54 HA ASP 54 8.301 9.030 0.597 428 HB2 ASP 54 2HB ASP 54 10.388 7.768 0.758 429 HB3 ASP 54 1HB ASP 54 9.574 7.868 2.295 430 H GLU 55 H GLU 55 7.629 5.658 -0.260 431 HA GLU 55 HA GLU 55 7.970 6.301 -3.086 432 HB2 GLU 55 2HB GLU 55 7.042 3.742 -1.754 433 HB3 GLU 55 1HB GLU 55 7.354 3.944 -3.472 434 HG2 GLU 55 2HG GLU 55 9.343 4.008 -1.218 435 HG3 GLU 55 1HG GLU 55 9.215 2.833 -2.529 436 H ASP 56 H ASP 56 6.183 8.029 -2.371 437 HA ASP 56 HA ASP 56 3.535 7.223 -1.910 438 HB2 ASP 56 2HB ASP 56 2.848 9.458 -2.448 439 HB3 ASP 56 1HB ASP 56 4.366 9.551 -1.577 440 H ASN 57 H ASN 57 5.223 7.854 -5.016 441 HA ASN 57 HA ASN 57 2.788 7.598 -6.562 442 HB2 ASN 57 2HB ASN 57 4.742 7.192 -8.403 443 HB3 ASN 57 1HB ASN 57 4.233 8.787 -7.860 444 HD21 ASN 57 1HD2 ASN 57 6.160 6.390 -6.140 445 HD22 ASN 57 2HD2 ASN 57 7.548 7.383 -5.950 446 H ILE 58 H ILE 58 5.245 5.448 -5.367 447 HA ILE 58 HA ILE 58 4.528 3.201 -6.956 448 HB ILE 58 HB ILE 58 6.017 3.572 -4.371 449 HG12 ILE 58 2HG1 ILE 58 7.836 2.434 -5.619 450 HG13 ILE 58 1HG1 ILE 58 6.787 2.350 -7.028 451 HG21 ILE 58 1HG2 ILE 58 4.682 1.579 -4.009 452 HG22 ILE 58 2HG2 ILE 58 6.385 1.161 -4.191 453 HG23 ILE 58 3HG2 ILE 58 5.264 0.889 -5.524 454 HD11 ILE 58 3HD1 ILE 58 8.413 4.165 -7.156 455 HD12 ILE 58 1HD1 ILE 58 7.718 4.880 -5.700 456 HD13 ILE 58 2HD1 ILE 58 6.749 4.755 -7.168 457 H ARG 59 H ARG 59 3.825 4.288 -3.687 458 HA ARG 59 HA ARG 59 2.078 2.349 -2.818 459 HB2 ARG 59 2HB ARG 59 2.882 3.835 -1.247 460 HB3 ARG 59 1HB ARG 59 2.477 5.241 -2.208 461 HG2 ARG 59 2HG ARG 59 0.088 4.809 -1.754 462 HG3 ARG 59 1HG ARG 59 0.561 3.507 -0.687 463 HD2 ARG 59 2HD ARG 59 0.156 5.407 0.619 464 HD3 ARG 59 1HD ARG 59 1.895 5.100 0.615 465 HE ARG 59 HE ARG 59 1.246 6.869 -1.466 466 HH11 ARG 59 1HH1 ARG 59 1.674 6.761 1.994 467 HH12 ARG 59 2HH1 ARG 59 1.791 8.491 2.155 468 HH21 ARG 59 1HH2 ARG 59 1.350 9.122 -1.268 469 HH22 ARG 59 2HH2 ARG 59 1.616 9.793 0.287 470 H ARG 60 H ARG 60 1.038 5.541 -4.202 471 HA ARG 60 HA ARG 60 -1.657 4.960 -4.507 472 HB2 ARG 60 2HB ARG 60 -1.362 6.431 -6.719 473 HB3 ARG 60 1HB ARG 60 -1.266 7.145 -5.114 474 HG2 ARG 60 2HG ARG 60 1.078 7.195 -5.170 475 HG3 ARG 60 1HG ARG 60 1.147 6.148 -6.581 476 HD2 ARG 60 2HD ARG 60 1.505 8.761 -6.703 477 HD3 ARG 60 1HD ARG 60 0.779 7.846 -8.008 478 HE ARG 60 HE ARG 60 -1.410 8.584 -7.107 479 HH11 ARG 60 1HH1 ARG 60 1.478 10.387 -6.269 480 HH12 ARG 60 2HH1 ARG 60 0.623 11.877 -6.025 481 HH21 ARG 60 1HH2 ARG 60 -2.519 10.530 -6.771 482 HH22 ARG 60 2HH2 ARG 60 -1.637 11.943 -6.298 483 H GLN 61 H GLN 61 1.013 4.086 -6.681 484 HA GLN 61 HA GLN 61 -0.664 3.186 -8.782 485 HB2 GLN 61 2HB GLN 61 1.744 3.889 -8.996 486 HB3 GLN 61 1HB GLN 61 2.205 2.354 -8.271 487 HG2 GLN 61 2HG GLN 61 2.264 2.493 -10.799 488 HG3 GLN 61 1HG GLN 61 1.404 1.122 -10.095 489 HE21 GLN 61 1HE2 GLN 61 0.073 4.323 -10.050 490 HE22 GLN 61 2HE2 GLN 61 -1.223 4.005 -11.130 491 H ILE 62 H ILE 62 1.078 1.390 -6.161 492 HA ILE 62 HA ILE 62 0.328 -1.174 -7.070 493 HB ILE 62 HB ILE 62 0.354 -1.044 -4.152 494 HG12 ILE 62 2HG1 ILE 62 2.960 -0.399 -5.480 495 HG13 ILE 62 1HG1 ILE 62 1.905 0.869 -4.876 496 HG21 ILE 62 1HG2 ILE 62 0.582 -3.095 -5.434 497 HG22 ILE 62 2HG2 ILE 62 2.018 -2.805 -4.450 498 HG23 ILE 62 3HG2 ILE 62 2.056 -2.475 -6.180 499 HD11 ILE 62 3HD1 ILE 62 3.148 -1.349 -3.282 500 HD12 ILE 62 1HD1 ILE 62 1.977 -0.192 -2.648 501 HD13 ILE 62 2HD1 ILE 62 3.551 0.367 -3.216 502 H PHE 63 H PHE 63 -1.207 1.077 -4.845 503 HA PHE 63 HA PHE 63 -3.294 -0.450 -3.925 504 HB2 PHE 63 2HB PHE 63 -3.185 1.573 -2.883 505 HB3 PHE 63 1HB PHE 63 -2.923 2.441 -4.384 506 HD1 PHE 63 2HD PHE 63 -5.518 0.424 -2.673 507 HD2 PHE 63 1HD PHE 63 -4.679 3.718 -5.237 508 HE1 PHE 63 2HE PHE 63 -7.911 0.965 -2.754 509 HE2 PHE 63 1HE PHE 63 -7.071 4.257 -5.318 510 HZ PHE 63 HZ PHE 63 -8.689 2.883 -4.069 511 H GLU 64 H GLU 64 -3.285 1.588 -6.831 512 HA GLU 64 HA GLU 64 -5.908 0.905 -7.637 513 HB2 GLU 64 2HB GLU 64 -4.244 2.817 -8.428 514 HB3 GLU 64 1HB GLU 64 -3.822 1.636 -9.658 515 HG2 GLU 64 2HG GLU 64 -6.626 2.602 -9.143 516 HG3 GLU 64 1HG GLU 64 -5.544 3.307 -10.340 517 H ASP 65 H ASP 65 -2.756 -0.470 -8.246 518 HA ASP 65 HA ASP 65 -3.624 -2.277 -10.298 519 HB2 ASP 65 2HB ASP 65 -1.352 -1.403 -10.295 520 HB3 ASP 65 1HB ASP 65 -1.055 -2.094 -8.707 521 H PHE 66 H PHE 66 -3.999 -2.339 -6.948 522 HA PHE 66 HA PHE 66 -3.059 -4.869 -6.237 523 HB2 PHE 66 2HB PHE 66 -5.050 -2.980 -5.080 524 HB3 PHE 66 1HB PHE 66 -4.920 -4.589 -4.414 525 HD1 PHE 66 2HD PHE 66 -1.755 -4.519 -5.050 526 HD2 PHE 66 1HD PHE 66 -4.511 -2.109 -2.889 527 HE1 PHE 66 2HE PHE 66 0.060 -3.779 -3.555 528 HE2 PHE 66 1HE PHE 66 -2.727 -1.387 -1.382 529 HZ PHE 66 HZ PHE 66 -0.423 -2.207 -1.723 530 H LYS 67 H LYS 67 -6.366 -3.906 -6.953 531 HA LYS 67 HA LYS 67 -8.226 -5.024 -7.555 532 HB2 LYS 67 2HB LYS 67 -6.415 -7.235 -8.545 533 HB3 LYS 67 1HB LYS 67 -8.043 -6.870 -9.085 534 HG2 LYS 67 2HG LYS 67 -5.487 -5.467 -9.704 535 HG3 LYS 67 1HG LYS 67 -6.735 -6.061 -10.802 536 HD2 LYS 67 2HD LYS 67 -8.234 -4.284 -9.728 537 HD3 LYS 67 1HD LYS 67 -6.746 -3.598 -9.091 538 HE2 LYS 67 2HE LYS 67 -5.861 -3.618 -11.456 539 HE3 LYS 67 1HE LYS 67 -7.505 -3.978 -11.977 540 HZ1 LYS 67 3HZ LYS 67 -6.953 -1.603 -12.075 541 HZ2 LYS 67 1HZ LYS 67 -6.713 -1.589 -10.403 542 HZ3 LYS 67 2HZ LYS 67 -8.255 -1.908 -11.032 543 HA PRO 68 HA PRO 68 -8.584 -7.408 -3.756 544 HB2 PRO 68 2HB PRO 68 -11.442 -7.276 -4.151 545 HB3 PRO 68 1HB PRO 68 -10.456 -6.511 -2.907 546 HG2 PRO 68 2HG PRO 68 -11.729 -5.218 -5.019 547 HG3 PRO 68 1HG PRO 68 -10.464 -4.538 -4.003 548 HD2 PRO 68 2HD PRO 68 -10.328 -5.444 -6.748 549 HD3 PRO 68 1HD PRO 68 -9.229 -4.393 -5.863 550 H GLU 69 H GLU 69 -10.824 -9.026 -3.409 551 HA GLU 69 HA GLU 69 -11.621 -11.099 -3.786 552 HB2 GLU 69 2HB GLU 69 -12.041 -10.311 -6.137 553 HB3 GLU 69 1HB GLU 69 -10.452 -10.920 -6.575 554 HG2 GLU 69 2HG GLU 69 -12.079 -12.523 -7.233 555 HG3 GLU 69 1HG GLU 69 -11.188 -13.177 -5.858
Contact the webmaster for help, if required. Monday, May 20, 2024 8:47:29 AM GMT (wattos1)