NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19086 | 2edb | 11099 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -12.067 10.442 3.017 2 HA2 GLY 1 1HA GLY 1 -11.817 12.082 4.968 3 HA3 GLY 1 2HA GLY 1 -12.349 12.781 3.446 4 H SER 2 H SER 2 -13.991 14.129 3.665 5 HA SER 2 HA SER 2 -16.394 13.433 5.003 6 HB2 SER 2 1HB SER 2 -15.228 13.912 7.042 7 HB3 SER 2 2HB SER 2 -14.557 15.402 6.379 8 HG SER 2 HG SER 2 -16.591 15.377 7.817 9 H SER 3 H SER 3 -18.042 15.063 4.790 10 HA SER 3 HA SER 3 -19.199 16.473 3.405 11 HB2 SER 3 1HB SER 3 -18.053 18.002 5.041 12 HB3 SER 3 2HB SER 3 -16.793 18.257 3.833 13 HG SER 3 HG SER 3 -19.299 19.323 3.990 14 H GLY 4 H GLY 4 -17.774 14.596 1.931 15 HA2 GLY 4 1HA GLY 4 -16.776 14.203 -0.119 16 HA3 GLY 4 2HA GLY 4 -17.936 15.417 -0.639 17 H SER 5 H SER 5 -14.632 14.892 0.450 18 HA SER 5 HA SER 5 -13.834 17.604 -0.122 19 HB2 SER 5 1HB SER 5 -12.769 16.266 1.684 20 HB3 SER 5 2HB SER 5 -12.107 15.186 0.458 21 HG SER 5 HG SER 5 -11.289 17.374 -0.415 22 H SER 6 H SER 6 -14.207 17.982 -2.284 23 HA SER 6 HA SER 6 -12.649 16.343 -4.174 24 HB2 SER 6 1HB SER 6 -15.301 17.720 -4.440 25 HB3 SER 6 2HB SER 6 -14.312 17.441 -5.873 26 HG SER 6 HG SER 6 -14.376 15.240 -5.450 27 H GLY 7 H GLY 7 -10.849 17.328 -4.801 28 HA2 GLY 7 1HA GLY 7 -10.319 19.367 -6.301 29 HA3 GLY 7 2HA GLY 7 -10.790 20.268 -4.867 30 HA PRO 8 HA PRO 8 -6.192 19.116 -4.853 31 HB2 PRO 8 1HB PRO 8 -5.199 21.613 -5.234 32 HB3 PRO 8 2HB PRO 8 -5.561 20.510 -6.567 33 HG2 PRO 8 1HG PRO 8 -7.188 22.782 -5.492 34 HG3 PRO 8 2HG PRO 8 -6.874 22.330 -7.178 35 HD2 PRO 8 1HD PRO 8 -9.185 21.710 -5.909 36 HD3 PRO 8 2HD PRO 8 -8.476 20.672 -7.163 37 H GLU 9 H GLU 9 -4.496 20.288 -3.422 38 HA GLU 9 HA GLU 9 -5.460 20.399 -0.807 39 HB2 GLU 9 1HB GLU 9 -3.226 21.377 -0.248 40 HB3 GLU 9 2HB GLU 9 -3.151 19.899 -1.198 41 HG2 GLU 9 1HG GLU 9 -2.986 21.466 -3.230 42 HG3 GLU 9 2HG GLU 9 -2.586 22.710 -2.046 43 H ASN 10 H ASN 10 -6.910 21.845 -0.128 44 HA ASN 10 HA ASN 10 -6.631 24.644 -0.963 45 HB2 ASN 10 1HB ASN 10 -8.974 24.722 0.244 46 HB3 ASN 10 2HB ASN 10 -8.830 24.087 -1.392 47 HD21 ASN 10 1HD2 ASN 10 -10.381 23.573 1.335 48 HD22 ASN 10 2HD2 ASN 10 -10.516 21.850 1.330 49 H ASP 11 H ASP 11 -7.691 22.951 1.994 50 HA ASP 11 HA ASP 11 -6.060 24.845 3.551 51 HB2 ASP 11 1HB ASP 11 -8.918 24.032 3.928 52 HB3 ASP 11 2HB ASP 11 -7.945 24.456 5.334 53 H LEU 12 H LEU 12 -5.172 22.328 2.716 54 HA LEU 12 HA LEU 12 -5.289 20.734 5.188 55 HB2 LEU 12 1HB LEU 12 -4.262 19.731 2.558 56 HB3 LEU 12 2HB LEU 12 -4.850 18.807 3.939 57 HG LEU 12 HG LEU 12 -6.771 20.566 2.499 58 HD11 LEU 12 1HD1 LEU 12 -6.794 17.933 1.371 59 HD12 LEU 12 2HD1 LEU 12 -5.221 18.686 1.111 60 HD13 LEU 12 3HD1 LEU 12 -6.688 19.496 0.560 61 HD21 LEU 12 3HD2 LEU 12 -7.733 19.517 4.330 62 HD22 LEU 12 1HD2 LEU 12 -6.835 18.021 4.072 63 HD23 LEU 12 2HD2 LEU 12 -8.167 18.446 2.996 64 H ASP 13 H ASP 13 -3.150 19.298 5.289 65 HA ASP 13 HA ASP 13 -0.880 21.160 5.030 66 HB2 ASP 13 1HB ASP 13 -1.647 20.715 7.386 67 HB3 ASP 13 2HB ASP 13 -1.197 19.028 7.149 68 H GLU 14 H GLU 14 0.116 20.450 3.220 69 HA GLU 14 HA GLU 14 0.472 17.604 2.757 70 HB2 GLU 14 1HB GLU 14 -0.089 19.322 0.950 71 HB3 GLU 14 2HB GLU 14 1.583 19.849 1.082 72 HG2 GLU 14 1HG GLU 14 2.394 17.737 0.360 73 HG3 GLU 14 2HG GLU 14 0.790 17.015 0.477 74 H SER 15 H SER 15 2.379 20.426 3.622 75 HA SER 15 HA SER 15 4.948 19.606 3.264 76 HB2 SER 15 1HB SER 15 4.349 21.791 4.217 77 HB3 SER 15 2HB SER 15 3.868 21.009 5.722 78 HG SER 15 HG SER 15 6.438 21.353 4.635 79 H GLN 16 H GLN 16 2.637 18.312 5.496 80 HA GLN 16 HA GLN 16 4.719 16.635 6.723 81 HB2 GLN 16 1HB GLN 16 3.327 16.367 8.610 82 HB3 GLN 16 2HB GLN 16 3.211 18.070 8.189 83 HG2 GLN 16 1HG GLN 16 1.056 17.833 7.328 84 HG3 GLN 16 2HG GLN 16 1.200 16.081 7.208 85 HE21 GLN 16 1HE2 GLN 16 0.189 18.689 9.104 86 HE22 GLN 16 2HE2 GLN 16 -0.224 17.810 10.532 87 H VAL 17 H VAL 17 4.489 14.405 6.798 88 HA VAL 17 HA VAL 17 3.089 13.234 4.604 89 HB VAL 17 HB VAL 17 3.923 11.078 5.486 90 HG11 VAL 17 1HG1 VAL 17 6.441 11.918 5.543 91 HG12 VAL 17 2HG1 VAL 17 5.488 11.917 4.058 92 HG13 VAL 17 3HG1 VAL 17 5.689 13.409 4.978 93 HG21 VAL 17 3HG2 VAL 17 5.677 11.495 7.429 94 HG22 VAL 17 1HG2 VAL 17 4.549 12.790 7.832 95 HG23 VAL 17 2HG2 VAL 17 3.987 11.119 7.767 96 HA PRO 18 HA PRO 18 -0.757 12.197 6.460 97 HB2 PRO 18 1HB PRO 18 -1.375 9.949 5.069 98 HB3 PRO 18 2HB PRO 18 -1.446 11.567 4.361 99 HG2 PRO 18 1HG PRO 18 0.701 9.493 4.136 100 HG3 PRO 18 2HG PRO 18 0.019 10.538 2.876 101 HD2 PRO 18 1HD PRO 18 2.385 11.066 4.083 102 HD3 PRO 18 2HD PRO 18 1.300 12.348 3.507 103 H ASP 19 H ASP 19 -1.343 11.188 8.281 104 HA ASP 19 HA ASP 19 0.387 9.311 9.537 105 HB2 ASP 19 1HB ASP 19 -2.234 10.577 10.209 106 HB3 ASP 19 2HB ASP 19 -1.733 9.151 11.115 107 H GLN 20 H GLN 20 -0.452 7.218 10.454 108 HA GLN 20 HA GLN 20 -1.186 5.491 8.356 109 HB2 GLN 20 1HB GLN 20 -1.182 3.740 9.990 110 HB3 GLN 20 2HB GLN 20 0.125 4.847 10.389 111 HG2 GLN 20 1HG GLN 20 -1.692 5.928 11.940 112 HG3 GLN 20 2HG GLN 20 -2.431 4.332 11.817 113 HE21 GLN 20 1HE2 GLN 20 0.316 3.167 11.481 114 HE22 GLN 20 2HE2 GLN 20 0.954 3.095 13.085 115 HA PRO 21 HA PRO 21 -5.572 5.524 8.325 116 HB2 PRO 21 1HB PRO 21 -6.141 2.917 7.825 117 HB3 PRO 21 2HB PRO 21 -5.463 4.003 6.607 118 HG2 PRO 21 1HG PRO 21 -4.078 1.973 8.317 119 HG3 PRO 21 2HG PRO 21 -3.855 2.323 6.593 120 HD2 PRO 21 1HD PRO 21 -2.167 3.249 8.496 121 HD3 PRO 21 2HD PRO 21 -2.514 4.151 7.007 122 H SER 22 H SER 22 -6.930 5.712 9.982 123 HA SER 22 HA SER 22 -6.708 5.034 12.531 124 HB2 SER 22 1HB SER 22 -9.078 5.131 12.791 125 HB3 SER 22 2HB SER 22 -8.688 6.184 11.431 126 HG SER 22 HG SER 22 -9.693 3.533 11.313 127 H SER 23 H SER 23 -7.666 2.781 10.005 128 HA SER 23 HA SER 23 -6.830 0.544 11.596 129 HB2 SER 23 1HB SER 23 -9.752 1.042 11.081 130 HB3 SER 23 2HB SER 23 -9.134 -0.598 11.272 131 HG SER 23 HG SER 23 -9.359 1.456 13.142 132 H LEU 24 H LEU 24 -6.533 -1.336 10.380 133 HA LEU 24 HA LEU 24 -7.126 -1.137 7.508 134 HB2 LEU 24 1HB LEU 24 -4.890 -0.590 7.457 135 HB3 LEU 24 2HB LEU 24 -4.505 -1.599 8.850 136 HG LEU 24 HG LEU 24 -4.827 -3.602 7.381 137 HD11 LEU 24 1HD1 LEU 24 -4.475 -1.935 4.973 138 HD12 LEU 24 2HD1 LEU 24 -6.089 -1.956 5.681 139 HD13 LEU 24 3HD1 LEU 24 -5.325 -3.466 5.184 140 HD21 LEU 24 3HD2 LEU 24 -2.719 -2.426 5.893 141 HD22 LEU 24 1HD2 LEU 24 -2.615 -3.519 7.273 142 HD23 LEU 24 2HD2 LEU 24 -2.658 -1.775 7.531 143 H HIS 25 H HIS 25 -8.635 -2.688 7.310 144 HA HIS 25 HA HIS 25 -8.389 -5.204 8.727 145 HB2 HIS 25 1HB HIS 25 -10.598 -4.174 8.490 146 HB3 HIS 25 2HB HIS 25 -10.458 -4.249 6.736 147 HD1 HIS 25 1HD HIS 25 -12.527 -5.759 6.509 148 HD2 HIS 25 2HD HIS 25 -9.503 -7.388 8.847 149 HE1 HIS 25 1HE HIS 25 -13.146 -8.177 6.821 150 HE2 HIS 25 2HE HIS 25 -11.347 -9.120 8.310 151 H VAL 26 H VAL 26 -7.830 -7.143 7.875 152 HA VAL 26 HA VAL 26 -7.376 -7.344 4.988 153 HB VAL 26 HB VAL 26 -5.188 -8.406 5.320 154 HG11 VAL 26 1HG1 VAL 26 -5.806 -5.654 5.627 155 HG12 VAL 26 2HG1 VAL 26 -4.431 -6.024 6.670 156 HG13 VAL 26 3HG1 VAL 26 -4.353 -6.385 4.945 157 HG21 VAL 26 3HG2 VAL 26 -5.597 -7.649 8.211 158 HG22 VAL 26 1HG2 VAL 26 -5.447 -9.277 7.548 159 HG23 VAL 26 2HG2 VAL 26 -4.063 -8.183 7.523 160 H ARG 27 H ARG 27 -8.107 -9.204 4.183 161 HA ARG 27 HA ARG 27 -8.560 -11.442 6.046 162 HB2 ARG 27 1HB ARG 27 -10.286 -10.278 3.907 163 HB3 ARG 27 2HB ARG 27 -10.376 -12.009 4.207 164 HG2 ARG 27 1HG ARG 27 -10.744 -11.386 6.656 165 HG3 ARG 27 2HG ARG 27 -11.045 -9.752 6.060 166 HD2 ARG 27 1HD ARG 27 -12.858 -10.542 4.681 167 HD3 ARG 27 2HD ARG 27 -12.503 -12.215 5.112 168 HE ARG 27 HE ARG 27 -12.979 -11.032 7.504 169 HH11 ARG 27 1HH1 ARG 27 -14.741 -11.200 4.506 170 HH12 ARG 27 2HH1 ARG 27 -16.296 -11.101 5.264 171 HH21 ARG 27 1HH2 ARG 27 -15.020 -10.901 8.513 172 HH22 ARG 27 2HH2 ARG 27 -16.453 -10.930 7.543 173 HA PRO 28 HA PRO 28 -5.617 -13.276 3.166 174 HB2 PRO 28 1HB PRO 28 -5.108 -15.441 4.723 175 HB3 PRO 28 2HB PRO 28 -4.363 -13.862 4.999 176 HG2 PRO 28 1HG PRO 28 -6.711 -15.115 6.370 177 HG3 PRO 28 2HG PRO 28 -5.358 -14.210 7.072 178 HD2 PRO 28 1HD PRO 28 -7.787 -13.095 6.639 179 HD3 PRO 28 2HD PRO 28 -6.277 -12.167 6.529 180 H GLN 29 H GLN 29 -6.789 -13.996 1.450 181 HA GLN 29 HA GLN 29 -8.747 -16.116 1.798 182 HB2 GLN 29 1HB GLN 29 -7.892 -14.839 -0.796 183 HB3 GLN 29 2HB GLN 29 -9.383 -15.710 -0.463 184 HG2 GLN 29 1HG GLN 29 -8.681 -13.155 0.942 185 HG3 GLN 29 2HG GLN 29 -9.514 -13.180 -0.612 186 HE21 GLN 29 1HE2 GLN 29 -11.087 -12.005 0.821 187 HE22 GLN 29 2HE2 GLN 29 -12.277 -12.965 1.627 188 H THR 30 H THR 30 -8.659 -17.733 -0.228 189 HA THR 30 HA THR 30 -6.642 -19.555 0.286 190 HB THR 30 HB THR 30 -7.782 -19.509 -2.467 191 HG1 THR 30 1HG THR 30 -9.269 -19.636 -0.073 192 HG21 THR 30 3HG2 THR 30 -8.228 -21.936 -1.737 193 HG22 THR 30 1HG2 THR 30 -7.198 -21.564 -0.356 194 HG23 THR 30 2HG2 THR 30 -6.554 -21.445 -1.993 195 H ASN 31 H ASN 31 -6.923 -17.852 -2.832 196 HA ASN 31 HA ASN 31 -3.980 -17.796 -2.951 197 HB2 ASN 31 1HB ASN 31 -5.986 -17.903 -5.215 198 HB3 ASN 31 2HB ASN 31 -4.242 -17.771 -5.419 199 HD21 ASN 31 1HD2 ASN 31 -3.190 -19.510 -3.731 200 HD22 ASN 31 2HD2 ASN 31 -3.732 -21.119 -4.054 201 H CYS 32 H CYS 32 -6.013 -15.818 -1.861 202 HA CYS 32 HA CYS 32 -4.784 -13.476 -3.053 203 HB2 CYS 32 1HB CYS 32 -7.793 -13.601 -2.878 204 HB3 CYS 32 2HB CYS 32 -6.804 -12.362 -3.643 205 HG CYS 32 HG CYS 32 -5.824 -14.534 -5.470 206 H ILE 33 H ILE 33 -5.661 -11.439 -1.871 207 HA ILE 33 HA ILE 33 -6.550 -11.911 0.841 208 HB ILE 33 HB ILE 33 -3.850 -10.636 0.397 209 HG12 ILE 33 1HG1 ILE 33 -4.575 -13.373 1.460 210 HG13 ILE 33 2HG1 ILE 33 -3.679 -13.021 -0.014 211 HG21 ILE 33 1HG2 ILE 33 -4.624 -11.540 3.071 212 HG22 ILE 33 2HG2 ILE 33 -3.859 -10.038 2.557 213 HG23 ILE 33 3HG2 ILE 33 -5.609 -10.223 2.435 214 HD11 ILE 33 3HD1 ILE 33 -1.782 -12.352 1.165 215 HD12 ILE 33 1HD1 ILE 33 -2.676 -12.164 2.674 216 HD13 ILE 33 2HD1 ILE 33 -2.363 -13.776 2.029 217 H ILE 34 H ILE 34 -8.177 -10.484 0.810 218 HA ILE 34 HA ILE 34 -7.885 -7.901 -0.471 219 HB ILE 34 HB ILE 34 -10.194 -9.179 0.989 220 HG12 ILE 34 1HG1 ILE 34 -11.217 -9.121 -1.290 221 HG13 ILE 34 2HG1 ILE 34 -9.683 -8.532 -1.922 222 HG21 ILE 34 1HG2 ILE 34 -10.075 -6.487 -0.363 223 HG22 ILE 34 2HG2 ILE 34 -11.538 -7.264 0.239 224 HG23 ILE 34 3HG2 ILE 34 -10.269 -6.783 1.365 225 HD11 ILE 34 3HD1 ILE 34 -10.131 -10.990 -2.193 226 HD12 ILE 34 1HD1 ILE 34 -8.597 -10.565 -1.436 227 HD13 ILE 34 2HD1 ILE 34 -9.942 -11.131 -0.445 228 H MET 35 H MET 35 -7.730 -5.945 0.524 229 HA MET 35 HA MET 35 -7.769 -5.871 3.456 230 HB2 MET 35 1HB MET 35 -5.757 -4.197 3.118 231 HB3 MET 35 2HB MET 35 -5.483 -5.929 3.252 232 HG2 MET 35 1HG MET 35 -5.279 -6.136 0.870 233 HG3 MET 35 2HG MET 35 -5.725 -4.446 0.647 234 HE1 MET 35 3HE MET 35 -4.540 -2.773 2.389 235 HE2 MET 35 1HE MET 35 -2.783 -2.625 2.407 236 HE3 MET 35 2HE MET 35 -3.674 -2.358 0.909 237 H SER 36 H SER 36 -8.772 -4.133 4.284 238 HA SER 36 HA SER 36 -9.311 -1.857 2.495 239 HB2 SER 36 1HB SER 36 -11.573 -1.698 3.628 240 HB3 SER 36 2HB SER 36 -11.365 -3.080 2.551 241 HG SER 36 HG SER 36 -10.601 -4.045 4.759 242 H TRP 37 H TRP 37 -8.472 -0.067 3.308 243 HA TRP 37 HA TRP 37 -8.273 0.194 6.237 244 HB2 TRP 37 1HB TRP 37 -6.378 1.734 5.815 245 HB3 TRP 37 2HB TRP 37 -6.081 0.113 5.192 246 HD1 TRP 37 HD TRP 37 -6.232 3.705 4.132 247 HE1 TRP 37 1HE TRP 37 -5.767 3.888 1.607 248 HE3 TRP 37 3HE TRP 37 -6.520 -1.247 2.894 249 HZ2 TRP 37 2HZ TRP 37 -5.552 2.161 -0.615 250 HZ3 TRP 37 3HZ TRP 37 -6.173 -1.897 0.546 251 HH2 TRP 37 HH TRP 37 -5.700 -0.227 -1.170 252 H THR 38 H THR 38 -7.945 2.718 6.732 253 HA THR 38 HA THR 38 -10.046 4.195 5.293 254 HB THR 38 HB THR 38 -10.296 5.212 7.800 255 HG1 THR 38 1HG THR 38 -9.094 3.729 8.893 256 HG21 THR 38 3HG2 THR 38 -12.425 4.469 7.630 257 HG22 THR 38 1HG2 THR 38 -11.931 2.804 7.326 258 HG23 THR 38 2HG2 THR 38 -11.913 3.983 6.014 259 HA PRO 39 HA PRO 39 -7.373 7.674 5.221 260 HB2 PRO 39 1HB PRO 39 -9.028 9.748 5.794 261 HB3 PRO 39 2HB PRO 39 -9.080 8.873 4.259 262 HG2 PRO 39 1HG PRO 39 -10.827 8.572 6.671 263 HG3 PRO 39 2HG PRO 39 -11.281 8.598 4.957 264 HD2 PRO 39 1HD PRO 39 -11.059 6.299 6.370 265 HD3 PRO 39 2HD PRO 39 -10.688 6.394 4.637 266 HA PRO 40 HA PRO 40 -5.868 8.842 9.184 267 HB2 PRO 40 1HB PRO 40 -5.012 11.386 8.774 268 HB3 PRO 40 2HB PRO 40 -4.179 9.974 8.113 269 HG2 PRO 40 1HG PRO 40 -6.100 11.839 6.774 270 HG3 PRO 40 2HG PRO 40 -4.584 11.160 6.154 271 HD2 PRO 40 1HD PRO 40 -7.010 10.166 5.477 272 HD3 PRO 40 2HD PRO 40 -5.563 9.146 5.608 273 H LEU 41 H LEU 41 -6.771 9.478 11.044 274 HA LEU 41 HA LEU 41 -9.272 10.497 11.346 275 HB2 LEU 41 1HB LEU 41 -6.862 10.731 13.121 276 HB3 LEU 41 2HB LEU 41 -8.439 11.349 13.610 277 HG LEU 41 HG LEU 41 -8.121 8.488 12.782 278 HD11 LEU 41 1HD1 LEU 41 -7.710 9.507 15.585 279 HD12 LEU 41 2HD1 LEU 41 -6.400 9.028 14.507 280 HD13 LEU 41 3HD1 LEU 41 -7.600 7.841 15.018 281 HD21 LEU 41 3HD2 LEU 41 -10.311 9.937 13.361 282 HD22 LEU 41 1HD2 LEU 41 -9.892 9.358 14.974 283 HD23 LEU 41 2HD2 LEU 41 -10.177 8.205 13.670 284 H ASN 42 H ASN 42 -6.448 12.230 10.437 285 HA ASN 42 HA ASN 42 -7.766 14.808 10.922 286 HB2 ASN 42 1HB ASN 42 -5.241 14.130 11.516 287 HB3 ASN 42 2HB ASN 42 -4.988 14.694 9.867 288 HD21 ASN 42 1HD2 ASN 42 -5.496 16.858 9.353 289 HD22 ASN 42 2HD2 ASN 42 -5.560 18.072 10.581 290 HA PRO 43 HA PRO 43 -8.691 14.348 6.494 291 HB2 PRO 43 1HB PRO 43 -10.764 16.099 6.537 292 HB3 PRO 43 2HB PRO 43 -10.925 14.408 7.024 293 HG2 PRO 43 1HG PRO 43 -10.590 16.846 8.729 294 HG3 PRO 43 2HG PRO 43 -11.671 15.459 8.959 295 HD2 PRO 43 1HD PRO 43 -9.333 15.723 10.301 296 HD3 PRO 43 2HD PRO 43 -9.999 14.142 9.843 297 H ASN 44 H ASN 44 -7.336 16.751 8.342 298 HA ASN 44 HA ASN 44 -7.385 18.797 6.265 299 HB2 ASN 44 1HB ASN 44 -5.964 18.896 8.930 300 HB3 ASN 44 2HB ASN 44 -6.359 20.252 7.878 301 HD21 ASN 44 1HD2 ASN 44 -7.792 17.689 9.829 302 HD22 ASN 44 2HD2 ASN 44 -9.232 18.555 10.231 303 H ILE 45 H ILE 45 -5.791 16.066 6.506 304 HA ILE 45 HA ILE 45 -3.159 17.175 5.801 305 HB ILE 45 HB ILE 45 -3.900 14.360 6.609 306 HG12 ILE 45 1HG1 ILE 45 -3.965 15.808 8.522 307 HG13 ILE 45 2HG1 ILE 45 -2.456 14.905 8.596 308 HG21 ILE 45 1HG2 ILE 45 -2.100 14.033 5.204 309 HG22 ILE 45 2HG2 ILE 45 -1.361 15.579 5.616 310 HG23 ILE 45 3HG2 ILE 45 -1.304 14.241 6.764 311 HD11 ILE 45 3HD1 ILE 45 -2.051 17.185 9.203 312 HD12 ILE 45 1HD1 ILE 45 -1.291 16.863 7.645 313 HD13 ILE 45 2HD1 ILE 45 -2.809 17.759 7.717 314 H VAL 46 H VAL 46 -2.124 16.563 3.905 315 HA VAL 46 HA VAL 46 -3.885 15.845 1.734 316 HB VAL 46 HB VAL 46 -0.916 16.404 1.701 317 HG11 VAL 46 1HG1 VAL 46 -1.701 16.984 -0.774 318 HG12 VAL 46 2HG1 VAL 46 -1.175 15.366 -0.306 319 HG13 VAL 46 3HG1 VAL 46 -2.896 15.741 -0.403 320 HG21 VAL 46 3HG2 VAL 46 -1.531 18.515 2.086 321 HG22 VAL 46 1HG2 VAL 46 -2.238 18.497 0.471 322 HG23 VAL 46 2HG2 VAL 46 -3.240 18.137 1.877 323 H VAL 47 H VAL 47 -3.935 13.968 0.607 324 HA VAL 47 HA VAL 47 -2.002 11.870 1.323 325 HB VAL 47 HB VAL 47 -4.985 11.463 1.059 326 HG11 VAL 47 1HG1 VAL 47 -3.585 9.599 0.195 327 HG12 VAL 47 2HG1 VAL 47 -2.854 9.462 1.795 328 HG13 VAL 47 3HG1 VAL 47 -4.578 9.156 1.583 329 HG21 VAL 47 3HG2 VAL 47 -5.109 11.204 3.363 330 HG22 VAL 47 1HG2 VAL 47 -3.373 10.938 3.526 331 HG23 VAL 47 2HG2 VAL 47 -3.990 12.555 3.187 332 H ARG 48 H ARG 48 -0.941 11.350 -0.466 333 HA ARG 48 HA ARG 48 -2.185 11.699 -3.071 334 HB2 ARG 48 1HB ARG 48 0.624 10.903 -2.287 335 HB3 ARG 48 2HB ARG 48 0.077 11.141 -3.941 336 HG2 ARG 48 1HG ARG 48 0.201 13.227 -1.775 337 HG3 ARG 48 2HG ARG 48 1.263 13.092 -3.178 338 HD2 ARG 48 1HD ARG 48 -0.986 13.223 -4.511 339 HD3 ARG 48 2HD ARG 48 -1.590 13.957 -3.027 340 HE ARG 48 HE ARG 48 0.616 15.396 -3.479 341 HH11 ARG 48 1HH1 ARG 48 -1.984 14.444 -5.589 342 HH12 ARG 48 2HH1 ARG 48 -1.856 15.849 -6.595 343 HH21 ARG 48 1HH2 ARG 48 0.794 17.250 -4.796 344 HH22 ARG 48 2HH2 ARG 48 -0.275 17.444 -6.144 345 H GLY 49 H GLY 49 -1.649 9.213 -0.807 346 HA2 GLY 49 1HA GLY 49 -3.128 7.253 -1.894 347 HA3 GLY 49 2HA GLY 49 -1.608 7.065 -2.756 348 H TYR 50 H TYR 50 -1.595 4.925 -1.766 349 HA TYR 50 HA TYR 50 -0.242 5.012 0.822 350 HB2 TYR 50 1HB TYR 50 -2.224 2.820 0.444 351 HB3 TYR 50 2HB TYR 50 -1.662 3.583 1.927 352 HD1 TYR 50 2HD TYR 50 -3.895 4.023 -0.993 353 HD2 TYR 50 1HD TYR 50 -2.859 5.375 2.906 354 HE1 TYR 50 2HE TYR 50 -5.939 5.390 -0.930 355 HE2 TYR 50 1HE TYR 50 -4.900 6.745 2.980 356 HH TYR 50 HH TYR 50 -6.464 7.831 0.884 357 H ILE 51 H ILE 51 1.271 3.403 1.128 358 HA ILE 51 HA ILE 51 1.972 1.896 -1.281 359 HB ILE 51 HB ILE 51 3.579 2.417 1.223 360 HG12 ILE 51 1HG1 ILE 51 4.101 3.493 -1.542 361 HG13 ILE 51 2HG1 ILE 51 3.071 4.346 -0.399 362 HG21 ILE 51 1HG2 ILE 51 5.332 1.221 0.338 363 HG22 ILE 51 2HG2 ILE 51 3.957 0.263 -0.208 364 HG23 ILE 51 3HG2 ILE 51 4.747 1.383 -1.318 365 HD11 ILE 51 3HD1 ILE 51 5.222 5.304 -0.247 366 HD12 ILE 51 1HD1 ILE 51 5.005 4.318 1.198 367 HD13 ILE 51 2HD1 ILE 51 5.995 3.723 -0.135 368 H ILE 52 H ILE 52 1.063 -0.055 -1.378 369 HA ILE 52 HA ILE 52 0.534 -1.577 1.036 370 HB ILE 52 HB ILE 52 -0.009 -2.253 -1.857 371 HG12 ILE 52 1HG1 ILE 52 -1.930 -1.392 0.314 372 HG13 ILE 52 2HG1 ILE 52 -1.273 -0.307 -0.906 373 HG21 ILE 52 1HG2 ILE 52 -1.100 -4.176 -1.186 374 HG22 ILE 52 2HG2 ILE 52 0.288 -4.141 -0.100 375 HG23 ILE 52 3HG2 ILE 52 -1.294 -3.611 0.474 376 HD11 ILE 52 3HD1 ILE 52 -2.342 -1.586 -2.657 377 HD12 ILE 52 1HD1 ILE 52 -2.945 -2.743 -1.470 378 HD13 ILE 52 2HD1 ILE 52 -3.527 -1.078 -1.454 379 H GLY 53 H GLY 53 2.381 -2.404 1.878 380 HA2 GLY 53 1HA GLY 53 4.197 -3.852 0.068 381 HA3 GLY 53 2HA GLY 53 4.615 -3.261 1.669 382 H TYR 54 H TYR 54 3.215 -5.836 -0.159 383 HA TYR 54 HA TYR 54 2.823 -7.379 2.320 384 HB2 TYR 54 1HB TYR 54 1.201 -8.723 1.153 385 HB3 TYR 54 2HB TYR 54 0.783 -7.029 0.919 386 HD1 TYR 54 1HD TYR 54 1.548 -5.925 -1.277 387 HD2 TYR 54 2HD TYR 54 1.443 -10.138 -0.687 388 HE1 TYR 54 1HE TYR 54 1.534 -6.260 -3.713 389 HE2 TYR 54 2HE TYR 54 1.431 -10.484 -3.122 390 HH TYR 54 HH TYR 54 0.947 -7.897 -5.343 391 H GLY 55 H GLY 55 3.383 -9.655 2.247 392 HA2 GLY 55 1HA GLY 55 4.769 -10.906 0.172 393 HA3 GLY 55 2HA GLY 55 5.961 -10.096 1.178 394 H VAL 56 H VAL 56 5.708 -12.923 0.746 395 HA VAL 56 HA VAL 56 4.453 -14.154 2.987 396 HB VAL 56 HB VAL 56 6.562 -15.186 1.089 397 HG11 VAL 56 1HG1 VAL 56 5.054 -17.243 2.403 398 HG12 VAL 56 2HG1 VAL 56 6.802 -17.009 2.337 399 HG13 VAL 56 3HG1 VAL 56 5.852 -16.222 3.599 400 HG21 VAL 56 3HG2 VAL 56 3.583 -15.245 1.161 401 HG22 VAL 56 1HG2 VAL 56 4.673 -14.980 -0.200 402 HG23 VAL 56 2HG2 VAL 56 4.449 -16.605 0.447 403 H GLY 57 H GLY 57 5.105 -13.803 5.010 404 HA2 GLY 57 1HA GLY 57 6.527 -14.052 6.837 405 HA3 GLY 57 2HA GLY 57 7.853 -14.373 5.728 406 H SER 58 H SER 58 7.293 -11.922 4.177 407 HA SER 58 HA SER 58 7.919 -9.815 6.105 408 HB2 SER 58 1HB SER 58 9.642 -9.970 3.669 409 HB3 SER 58 2HB SER 58 9.995 -9.276 5.252 410 HG SER 58 HG SER 58 10.575 -11.719 4.328 411 HA PRO 59 HA PRO 59 5.122 -7.686 3.406 412 HB2 PRO 59 1HB PRO 59 5.359 -5.242 4.566 413 HB3 PRO 59 2HB PRO 59 4.426 -6.560 5.284 414 HG2 PRO 59 1HG PRO 59 7.202 -5.639 5.920 415 HG3 PRO 59 2HG PRO 59 5.898 -6.109 7.027 416 HD2 PRO 59 1HD PRO 59 7.935 -7.773 6.385 417 HD3 PRO 59 2HD PRO 59 6.299 -8.361 6.742 418 H TYR 60 H TYR 60 8.283 -7.758 3.102 419 HA TYR 60 HA TYR 60 8.452 -5.386 1.364 420 HB2 TYR 60 1HB TYR 60 10.859 -6.912 2.300 421 HB3 TYR 60 2HB TYR 60 10.739 -5.230 1.796 422 HD1 TYR 60 1HD TYR 60 8.920 -3.893 3.370 423 HD2 TYR 60 2HD TYR 60 11.322 -7.207 4.531 424 HE1 TYR 60 1HE TYR 60 8.733 -3.197 5.722 425 HE2 TYR 60 2HE TYR 60 11.141 -6.521 6.886 426 HH TYR 60 HH TYR 60 9.771 -3.473 7.812 427 H ALA 61 H ALA 61 7.382 -8.156 0.824 428 HA ALA 61 HA ALA 61 9.264 -9.200 -1.131 429 HB1 ALA 61 3HB ALA 61 7.960 -11.112 -1.216 430 HB2 ALA 61 1HB ALA 61 7.754 -10.581 0.454 431 HB3 ALA 61 2HB ALA 61 6.493 -10.258 -0.737 432 H GLU 62 H GLU 62 6.139 -7.570 -1.029 433 HA GLU 62 HA GLU 62 6.468 -6.840 -3.831 434 HB2 GLU 62 1HB GLU 62 4.099 -8.345 -2.736 435 HB3 GLU 62 2HB GLU 62 4.000 -7.383 -4.203 436 HG2 GLU 62 1HG GLU 62 6.094 -9.494 -3.910 437 HG3 GLU 62 2HG GLU 62 4.448 -9.914 -4.380 438 H THR 63 H THR 63 6.065 -4.749 -4.090 439 HA THR 63 HA THR 63 4.398 -3.388 -2.075 440 HB THR 63 HB THR 63 5.810 -1.359 -3.225 441 HG1 THR 63 1HG THR 63 7.072 -3.083 -4.318 442 HG21 THR 63 3HG2 THR 63 5.823 -1.231 -0.960 443 HG22 THR 63 1HG2 THR 63 7.430 -1.929 -1.156 444 HG23 THR 63 2HG2 THR 63 6.061 -2.966 -0.756 445 H VAL 64 H VAL 64 2.833 -1.959 -2.735 446 HA VAL 64 HA VAL 64 2.516 -1.435 -5.593 447 HB VAL 64 HB VAL 64 0.554 -2.933 -3.892 448 HG11 VAL 64 1HG1 VAL 64 -0.863 -1.219 -4.575 449 HG12 VAL 64 2HG1 VAL 64 -0.060 -1.045 -6.137 450 HG13 VAL 64 3HG1 VAL 64 -1.085 -2.446 -5.821 451 HG21 VAL 64 3HG2 VAL 64 0.306 -4.099 -6.187 452 HG22 VAL 64 1HG2 VAL 64 1.804 -3.261 -6.593 453 HG23 VAL 64 2HG2 VAL 64 1.764 -4.390 -5.238 454 H ARG 65 H ARG 65 2.417 0.706 -5.704 455 HA ARG 65 HA ARG 65 1.282 2.246 -3.511 456 HB2 ARG 65 1HB ARG 65 3.036 2.822 -5.836 457 HB3 ARG 65 2HB ARG 65 2.005 4.132 -5.277 458 HG2 ARG 65 1HG ARG 65 3.094 4.323 -3.273 459 HG3 ARG 65 2HG ARG 65 3.628 2.641 -3.280 460 HD2 ARG 65 1HD ARG 65 5.377 3.075 -4.757 461 HD3 ARG 65 2HD ARG 65 4.657 4.587 -5.311 462 HE ARG 65 HE ARG 65 6.284 4.188 -2.952 463 HH11 ARG 65 1HH1 ARG 65 4.049 6.257 -4.637 464 HH12 ARG 65 2HH1 ARG 65 4.533 7.689 -3.790 465 HH21 ARG 65 1HH2 ARG 65 6.931 6.066 -1.830 466 HH22 ARG 65 2HH2 ARG 65 6.174 7.579 -2.194 467 H VAL 66 H VAL 66 -0.826 2.633 -3.494 468 HA VAL 66 HA VAL 66 -2.265 2.829 -6.048 469 HB VAL 66 HB VAL 66 -4.314 2.678 -4.486 470 HG11 VAL 66 1HG1 VAL 66 -3.757 0.891 -5.972 471 HG12 VAL 66 2HG1 VAL 66 -2.435 0.364 -4.928 472 HG13 VAL 66 3HG1 VAL 66 -4.107 0.190 -4.392 473 HG21 VAL 66 3HG2 VAL 66 -2.445 2.880 -2.516 474 HG22 VAL 66 1HG2 VAL 66 -4.065 2.216 -2.303 475 HG23 VAL 66 2HG2 VAL 66 -2.699 1.136 -2.585 476 H ASP 67 H ASP 67 -4.262 4.333 -5.864 477 HA ASP 67 HA ASP 67 -3.256 6.973 -5.337 478 HB2 ASP 67 1HB ASP 67 -5.809 7.453 -5.977 479 HB3 ASP 67 2HB ASP 67 -4.586 7.088 -7.191 480 H SER 68 H SER 68 -4.638 8.585 -4.155 481 HA SER 68 HA SER 68 -5.039 7.671 -1.480 482 HB2 SER 68 1HB SER 68 -5.275 9.919 -0.899 483 HB3 SER 68 2HB SER 68 -4.251 10.008 -2.332 484 HG SER 68 HG SER 68 -5.757 11.138 -3.239 485 H LYS 69 H LYS 69 -6.906 7.190 -4.059 486 HA LYS 69 HA LYS 69 -9.463 7.743 -2.744 487 HB2 LYS 69 1HB LYS 69 -9.302 8.450 -5.059 488 HB3 LYS 69 2HB LYS 69 -8.813 6.834 -5.553 489 HG2 LYS 69 1HG LYS 69 -11.006 6.734 -6.114 490 HG3 LYS 69 2HG LYS 69 -11.129 6.194 -4.438 491 HD2 LYS 69 1HD LYS 69 -11.271 9.113 -4.943 492 HD3 LYS 69 2HD LYS 69 -12.657 8.138 -5.434 493 HE2 LYS 69 1HE LYS 69 -12.939 7.304 -3.208 494 HE3 LYS 69 2HE LYS 69 -11.427 8.045 -2.685 495 HZ1 LYS 69 3HZ LYS 69 -13.293 9.915 -3.820 496 HZ2 LYS 69 1HZ LYS 69 -12.416 10.004 -2.376 497 HZ3 LYS 69 2HZ LYS 69 -13.877 9.153 -2.428 498 H GLN 70 H GLN 70 -7.448 5.099 -3.871 499 HA GLN 70 HA GLN 70 -9.283 3.003 -3.622 500 HB2 GLN 70 1HB GLN 70 -6.341 2.761 -3.019 501 HB3 GLN 70 2HB GLN 70 -7.417 1.532 -3.670 502 HG2 GLN 70 1HG GLN 70 -6.382 3.987 -5.057 503 HG3 GLN 70 2HG GLN 70 -6.038 2.301 -5.440 504 HE21 GLN 70 1HE2 GLN 70 -8.784 4.521 -5.110 505 HE22 GLN 70 2HE2 GLN 70 -9.669 3.900 -6.458 506 H ARG 71 H ARG 71 -10.374 2.381 -1.889 507 HA ARG 71 HA ARG 71 -9.266 2.909 0.770 508 HB2 ARG 71 1HB ARG 71 -11.442 3.763 0.648 509 HB3 ARG 71 2HB ARG 71 -12.035 2.380 -0.262 510 HG2 ARG 71 1HG ARG 71 -12.228 1.056 1.616 511 HG3 ARG 71 2HG ARG 71 -11.059 2.008 2.534 512 HD2 ARG 71 1HD ARG 71 -13.109 2.581 3.485 513 HD3 ARG 71 2HD ARG 71 -12.780 3.905 2.368 514 HE ARG 71 HE ARG 71 -14.390 1.749 1.301 515 HH11 ARG 71 1HH1 ARG 71 -14.342 4.855 2.873 516 HH12 ARG 71 2HH1 ARG 71 -15.952 5.270 2.389 517 HH21 ARG 71 1HH2 ARG 71 -16.512 2.284 0.658 518 HH22 ARG 71 2HH2 ARG 71 -17.186 3.807 1.130 519 H TYR 72 H TYR 72 -9.208 0.477 -1.404 520 HA TYR 72 HA TYR 72 -8.411 -1.470 0.511 521 HB2 TYR 72 1HB TYR 72 -10.165 -2.949 0.546 522 HB3 TYR 72 2HB TYR 72 -11.062 -1.442 0.398 523 HD1 TYR 72 1HD TYR 72 -12.006 -0.780 -1.802 524 HD2 TYR 72 2HD TYR 72 -10.187 -4.578 -1.195 525 HE1 TYR 72 1HE TYR 72 -13.076 -1.614 -3.854 526 HE2 TYR 72 2HE TYR 72 -11.251 -5.422 -3.246 527 HH TYR 72 HH TYR 72 -12.505 -3.540 -5.576 528 H TYR 73 H TYR 73 -7.437 -3.294 -0.443 529 HA TYR 73 HA TYR 73 -7.279 -3.305 -3.373 530 HB2 TYR 73 1HB TYR 73 -5.329 -2.060 -2.335 531 HB3 TYR 73 2HB TYR 73 -4.837 -3.591 -1.620 532 HD1 TYR 73 2HD TYR 73 -4.101 -5.455 -3.076 533 HD2 TYR 73 1HD TYR 73 -4.959 -1.596 -4.651 534 HE1 TYR 73 2HE TYR 73 -2.890 -6.033 -5.137 535 HE2 TYR 73 1HE TYR 73 -3.751 -2.164 -6.717 536 HH TYR 73 HH TYR 73 -1.681 -4.098 -7.165 537 H SER 74 H SER 74 -7.420 -5.280 -4.235 538 HA SER 74 HA SER 74 -7.438 -7.570 -2.410 539 HB2 SER 74 1HB SER 74 -8.250 -7.815 -5.274 540 HB3 SER 74 2HB SER 74 -8.913 -8.611 -3.847 541 HG SER 74 HG SER 74 -9.533 -6.152 -4.964 542 H ILE 75 H ILE 75 -5.409 -8.324 -2.175 543 HA ILE 75 HA ILE 75 -3.538 -8.403 -4.358 544 HB ILE 75 HB ILE 75 -3.303 -9.701 -1.642 545 HG12 ILE 75 1HG1 ILE 75 -2.227 -7.018 -2.529 546 HG13 ILE 75 2HG1 ILE 75 -3.702 -7.218 -1.590 547 HG21 ILE 75 1HG2 ILE 75 -0.991 -9.883 -2.057 548 HG22 ILE 75 2HG2 ILE 75 -1.782 -10.461 -3.523 549 HG23 ILE 75 3HG2 ILE 75 -1.084 -8.842 -3.478 550 HD11 ILE 75 3HD1 ILE 75 -1.962 -6.655 -0.086 551 HD12 ILE 75 1HD1 ILE 75 -2.326 -8.364 0.154 552 HD13 ILE 75 2HD1 ILE 75 -0.895 -7.886 -0.760 553 H GLU 76 H GLU 76 -3.745 -9.854 -5.928 554 HA GLU 76 HA GLU 76 -4.657 -12.565 -5.232 555 HB2 GLU 76 1HB GLU 76 -4.683 -11.218 -7.938 556 HB3 GLU 76 2HB GLU 76 -5.344 -12.802 -7.557 557 HG2 GLU 76 1HG GLU 76 -6.743 -11.405 -5.809 558 HG3 GLU 76 2HG GLU 76 -6.410 -10.103 -6.950 559 H ARG 77 H ARG 77 -3.814 -14.143 -7.115 560 HA ARG 77 HA ARG 77 -2.050 -15.292 -7.982 561 HB2 ARG 77 1HB ARG 77 -0.552 -12.669 -7.884 562 HB3 ARG 77 2HB ARG 77 -0.155 -14.076 -8.861 563 HG2 ARG 77 1HG ARG 77 -2.726 -12.550 -9.159 564 HG3 ARG 77 2HG ARG 77 -1.262 -12.170 -10.068 565 HD2 ARG 77 1HD ARG 77 -1.274 -14.618 -10.782 566 HD3 ARG 77 2HD ARG 77 -2.920 -14.675 -10.152 567 HE ARG 77 HE ARG 77 -3.033 -12.571 -11.806 568 HH11 ARG 77 1HH1 ARG 77 -1.772 -15.788 -12.228 569 HH12 ARG 77 2HH1 ARG 77 -2.107 -15.838 -13.927 570 HH21 ARG 77 1HH2 ARG 77 -3.479 -12.624 -14.043 571 HH22 ARG 77 2HH2 ARG 77 -3.077 -14.037 -14.958 572 H LEU 78 H LEU 78 -2.452 -15.196 -5.167 573 HA LEU 78 HA LEU 78 0.303 -15.327 -4.142 574 HB2 LEU 78 1HB LEU 78 -2.259 -15.178 -2.565 575 HB3 LEU 78 2HB LEU 78 -0.619 -15.071 -1.930 576 HG LEU 78 HG LEU 78 -1.914 -13.039 -3.747 577 HD11 LEU 78 1HD1 LEU 78 -1.840 -13.360 -0.816 578 HD12 LEU 78 2HD1 LEU 78 -3.016 -12.539 -1.843 579 HD13 LEU 78 3HD1 LEU 78 -1.495 -11.744 -1.435 580 HD21 LEU 78 3HD2 LEU 78 0.172 -12.357 -4.102 581 HD22 LEU 78 1HD2 LEU 78 0.815 -13.513 -2.935 582 HD23 LEU 78 2HD2 LEU 78 0.252 -11.932 -2.391 583 H GLU 79 H GLU 79 0.619 -17.018 -2.405 584 HA GLU 79 HA GLU 79 -0.316 -19.562 -3.448 585 HB2 GLU 79 1HB GLU 79 1.367 -20.563 -2.011 586 HB3 GLU 79 2HB GLU 79 2.074 -19.240 -2.928 587 HG2 GLU 79 1HG GLU 79 1.639 -17.803 -0.871 588 HG3 GLU 79 2HG GLU 79 1.356 -19.320 -0.020 589 H SER 80 H SER 80 -0.502 -21.271 -1.479 590 HA SER 80 HA SER 80 -2.512 -20.162 0.371 591 HB2 SER 80 1HB SER 80 -3.904 -22.024 0.073 592 HB3 SER 80 2HB SER 80 -3.322 -21.696 -1.559 593 HG SER 80 HG SER 80 -1.551 -23.285 -0.702 594 H SER 81 H SER 81 -2.532 -20.927 2.471 595 HA SER 81 HA SER 81 -1.746 -21.863 4.394 596 HB2 SER 81 1HB SER 81 -1.830 -23.992 3.036 597 HB3 SER 81 2HB SER 81 -0.125 -23.739 2.664 598 HG SER 81 HG SER 81 -1.316 -24.191 5.192 599 H SER 82 H SER 82 -0.606 -19.573 3.800 600 HA SER 82 HA SER 82 2.066 -19.856 4.852 601 HB2 SER 82 1HB SER 82 2.040 -19.940 2.191 602 HB3 SER 82 2HB SER 82 1.946 -18.189 2.381 603 HG SER 82 HG SER 82 4.118 -19.312 2.304 604 H HIS 83 H HIS 83 2.855 -17.960 5.794 605 HA HIS 83 HA HIS 83 0.826 -16.073 6.554 606 HB2 HIS 83 1HB HIS 83 2.479 -16.836 8.187 607 HB3 HIS 83 2HB HIS 83 3.780 -16.168 7.207 608 HD1 HIS 83 1HD HIS 83 4.510 -14.609 9.140 609 HD2 HIS 83 2HD HIS 83 0.630 -13.963 7.801 610 HE1 HIS 83 1HE HIS 83 3.810 -12.410 10.140 611 HE2 HIS 83 2HE HIS 83 1.430 -12.082 9.385 612 H TYR 84 H TYR 84 0.488 -14.070 5.799 613 HA TYR 84 HA TYR 84 2.457 -12.953 3.914 614 HB2 TYR 84 1HB TYR 84 -0.472 -13.359 3.609 615 HB3 TYR 84 2HB TYR 84 0.202 -11.869 2.960 616 HD1 TYR 84 1HD TYR 84 0.352 -15.556 2.758 617 HD2 TYR 84 2HD TYR 84 1.489 -11.871 0.962 618 HE1 TYR 84 1HE TYR 84 1.070 -16.768 0.742 619 HE2 TYR 84 2HE TYR 84 2.209 -13.072 -1.060 620 HH TYR 84 HH TYR 84 2.287 -15.036 -2.105 621 H VAL 85 H VAL 85 3.382 -11.429 5.180 622 HA VAL 85 HA VAL 85 1.898 -9.810 7.016 623 HB VAL 85 HB VAL 85 4.665 -9.205 5.992 624 HG11 VAL 85 1HG1 VAL 85 3.771 -7.453 7.332 625 HG12 VAL 85 2HG1 VAL 85 3.187 -8.595 8.545 626 HG13 VAL 85 3HG1 VAL 85 4.920 -8.340 8.333 627 HG21 VAL 85 3HG2 VAL 85 3.776 -11.278 7.973 628 HG22 VAL 85 1HG2 VAL 85 4.883 -11.450 6.611 629 HG23 VAL 85 2HG2 VAL 85 5.384 -10.558 8.047 630 H ILE 86 H ILE 86 0.705 -8.103 6.523 631 HA ILE 86 HA ILE 86 1.259 -6.670 4.011 632 HB ILE 86 HB ILE 86 -1.326 -6.641 5.565 633 HG12 ILE 86 1HG1 ILE 86 -0.988 -8.127 2.990 634 HG13 ILE 86 2HG1 ILE 86 -0.468 -8.891 4.488 635 HG21 ILE 86 1HG2 ILE 86 -1.925 -6.054 2.983 636 HG22 ILE 86 2HG2 ILE 86 -1.629 -4.855 4.240 637 HG23 ILE 86 3HG2 ILE 86 -0.329 -5.321 3.143 638 HD11 ILE 86 3HD1 ILE 86 -3.175 -8.322 3.486 639 HD12 ILE 86 1HD1 ILE 86 -2.582 -9.653 4.480 640 HD13 ILE 86 2HD1 ILE 86 -2.918 -8.085 5.215 641 H SER 87 H SER 87 2.084 -4.701 4.172 642 HA SER 87 HA SER 87 1.598 -3.168 6.643 643 HB2 SER 87 1HB SER 87 3.805 -2.430 6.701 644 HB3 SER 87 2HB SER 87 3.995 -4.090 6.140 645 HG SER 87 HG SER 87 4.875 -3.305 4.415 646 H LEU 88 H LEU 88 0.157 -1.646 6.136 647 HA LEU 88 HA LEU 88 0.385 -0.276 3.548 648 HB2 LEU 88 1HB LEU 88 -1.783 -1.107 3.780 649 HB3 LEU 88 2HB LEU 88 -1.867 -0.667 5.485 650 HG LEU 88 HG LEU 88 -1.780 1.773 4.595 651 HD11 LEU 88 1HD1 LEU 88 -2.948 1.937 2.378 652 HD12 LEU 88 2HD1 LEU 88 -2.587 0.227 2.144 653 HD13 LEU 88 3HD1 LEU 88 -1.272 1.391 2.310 654 HD21 LEU 88 3HD2 LEU 88 -3.702 0.496 5.677 655 HD22 LEU 88 1HD2 LEU 88 -4.299 0.236 4.038 656 HD23 LEU 88 2HD2 LEU 88 -4.123 1.876 4.661 657 H LYS 89 H LYS 89 0.902 1.826 3.417 658 HA LYS 89 HA LYS 89 0.781 3.499 5.811 659 HB2 LYS 89 1HB LYS 89 3.034 4.167 5.744 660 HB3 LYS 89 2HB LYS 89 3.088 2.419 5.551 661 HG2 LYS 89 1HG LYS 89 3.482 2.618 3.206 662 HG3 LYS 89 2HG LYS 89 3.195 4.359 3.254 663 HD2 LYS 89 1HD LYS 89 5.469 4.383 3.316 664 HD3 LYS 89 2HD LYS 89 5.159 4.230 5.047 665 HE2 LYS 89 1HE LYS 89 6.662 2.537 4.795 666 HE3 LYS 89 2HE LYS 89 5.180 1.650 4.443 667 HZ1 LYS 89 3HZ LYS 89 7.185 2.687 2.531 668 HZ2 LYS 89 1HZ LYS 89 5.632 2.231 2.039 669 HZ3 LYS 89 2HZ LYS 89 6.665 1.092 2.743 670 H ALA 90 H ALA 90 0.507 5.677 5.404 671 HA ALA 90 HA ALA 90 -0.437 6.330 2.751 672 HB1 ALA 90 3HB ALA 90 -1.198 8.408 3.732 673 HB2 ALA 90 1HB ALA 90 -1.667 7.051 4.758 674 HB3 ALA 90 2HB ALA 90 -0.299 8.068 5.211 675 H PHE 91 H PHE 91 0.388 7.913 1.392 676 HA PHE 91 HA PHE 91 2.979 9.085 2.111 677 HB2 PHE 91 1HB PHE 91 3.972 8.470 0.009 678 HB3 PHE 91 2HB PHE 91 3.330 7.008 0.752 679 HD1 PHE 91 1HD PHE 91 2.752 9.531 -1.874 680 HD2 PHE 91 2HD PHE 91 1.643 5.734 -0.303 681 HE1 PHE 91 1HE PHE 91 1.468 9.064 -3.920 682 HE2 PHE 91 2HE PHE 91 0.358 5.260 -2.346 683 HZ PHE 91 HZ PHE 91 0.269 6.926 -4.158 684 H ASN 92 H ASN 92 3.602 10.895 0.710 685 HA ASN 92 HA ASN 92 1.698 12.064 -1.066 686 HB2 ASN 92 1HB ASN 92 1.022 13.963 0.221 687 HB3 ASN 92 2HB ASN 92 0.694 12.537 1.201 688 HD21 ASN 92 1HD2 ASN 92 0.719 14.661 2.629 689 HD22 ASN 92 2HD2 ASN 92 2.196 14.894 3.494 690 H ASN 93 H ASN 93 2.403 14.618 -1.200 691 HA ASN 93 HA ASN 93 4.822 14.675 -2.503 692 HB2 ASN 93 1HB ASN 93 3.081 16.762 -1.282 693 HB3 ASN 93 2HB ASN 93 4.705 17.238 -1.771 694 HD21 ASN 93 1HD2 ASN 93 2.383 14.974 -3.194 695 HD22 ASN 93 2HD2 ASN 93 2.311 15.750 -4.736 696 H ALA 94 H ALA 94 4.214 14.786 0.896 697 HA ALA 94 HA ALA 94 6.809 15.830 1.602 698 HB1 ALA 94 3HB ALA 94 6.133 15.550 3.872 699 HB2 ALA 94 1HB ALA 94 4.749 16.177 2.977 700 HB3 ALA 94 2HB ALA 94 4.820 14.468 3.408 701 H GLY 95 H GLY 95 5.358 12.708 1.099 702 HA2 GLY 95 1HA GLY 95 7.194 11.039 0.516 703 HA3 GLY 95 2HA GLY 95 7.801 11.409 2.123 704 H GLU 96 H GLU 96 7.411 9.772 3.448 705 HA GLU 96 HA GLU 96 4.767 8.477 3.315 706 HB2 GLU 96 1HB GLU 96 7.323 7.126 4.180 707 HB3 GLU 96 2HB GLU 96 5.759 6.374 3.897 708 HG2 GLU 96 1HG GLU 96 5.925 6.789 1.538 709 HG3 GLU 96 2HG GLU 96 7.411 7.710 1.767 710 H GLY 97 H GLY 97 3.795 7.882 5.271 711 HA2 GLY 97 1HA GLY 97 4.980 9.187 7.643 712 HA3 GLY 97 2HA GLY 97 3.252 9.090 7.338 713 H VAL 98 H VAL 98 3.889 8.279 9.728 714 HA VAL 98 HA VAL 98 4.889 5.933 10.468 715 HB VAL 98 HB VAL 98 3.614 7.296 12.021 716 HG11 VAL 98 1HG1 VAL 98 1.614 7.166 10.082 717 HG12 VAL 98 2HG1 VAL 98 0.968 6.289 11.471 718 HG13 VAL 98 3HG1 VAL 98 1.521 7.954 11.657 719 HG21 VAL 98 3HG2 VAL 98 3.939 4.709 12.254 720 HG22 VAL 98 1HG2 VAL 98 2.925 5.588 13.400 721 HG23 VAL 98 2HG2 VAL 98 2.184 4.677 12.084 722 HA PRO 99 HA PRO 99 2.949 3.161 7.470 723 HB2 PRO 99 1HB PRO 99 4.739 1.155 7.849 724 HB3 PRO 99 2HB PRO 99 5.065 2.551 6.815 725 HG2 PRO 99 1HG PRO 99 5.931 2.038 9.634 726 HG3 PRO 99 2HG PRO 99 6.864 2.703 8.281 727 HD2 PRO 99 1HD PRO 99 5.787 4.264 10.213 728 HD3 PRO 99 2HD PRO 99 5.968 4.811 8.534 729 H LEU 100 H LEU 100 1.479 1.566 7.769 730 HA LEU 100 HA LEU 100 1.173 0.530 10.502 731 HB2 LEU 100 1HB LEU 100 -0.657 1.868 9.208 732 HB3 LEU 100 2HB LEU 100 -0.945 0.326 8.406 733 HG LEU 100 HG LEU 100 -1.207 -0.612 10.798 734 HD11 LEU 100 1HD1 LEU 100 -0.341 1.352 11.964 735 HD12 LEU 100 2HD1 LEU 100 -2.003 1.004 12.438 736 HD13 LEU 100 3HD1 LEU 100 -1.664 2.323 11.318 737 HD21 LEU 100 3HD2 LEU 100 -2.980 0.394 8.913 738 HD22 LEU 100 1HD2 LEU 100 -3.512 1.098 10.440 739 HD23 LEU 100 2HD2 LEU 100 -3.370 -0.652 10.279 740 H TYR 101 H TYR 101 1.612 -1.534 10.879 741 HA TYR 101 HA TYR 101 1.982 -3.338 8.605 742 HB2 TYR 101 1HB TYR 101 2.944 -3.329 11.446 743 HB3 TYR 101 2HB TYR 101 2.926 -4.832 10.531 744 HD1 TYR 101 1HD TYR 101 4.175 -1.325 10.352 745 HD2 TYR 101 2HD TYR 101 4.730 -5.373 9.166 746 HE1 TYR 101 1HE TYR 101 6.334 -0.725 9.338 747 HE2 TYR 101 2HE TYR 101 6.891 -4.785 8.150 748 HH TYR 101 HH TYR 101 7.914 -1.486 7.787 749 H GLU 102 H GLU 102 1.229 -5.578 8.798 750 HA GLU 102 HA GLU 102 -0.897 -6.160 10.652 751 HB2 GLU 102 1HB GLU 102 -1.803 -4.755 8.612 752 HB3 GLU 102 2HB GLU 102 -1.716 -6.301 7.781 753 HG2 GLU 102 1HG GLU 102 -3.929 -5.643 8.865 754 HG3 GLU 102 2HG GLU 102 -3.320 -7.273 9.151 755 H SER 103 H SER 103 -1.975 -8.334 9.944 756 HA SER 103 HA SER 103 0.007 -10.078 8.659 757 HB2 SER 103 1HB SER 103 -0.286 -11.762 10.433 758 HB3 SER 103 2HB SER 103 0.364 -10.256 11.082 759 HG SER 103 HG SER 103 -2.404 -10.538 11.066 760 H ALA 104 H ALA 104 -0.827 -11.893 7.631 761 HA ALA 104 HA ALA 104 -3.587 -12.625 7.819 762 HB1 ALA 104 3HB ALA 104 -2.837 -11.561 5.126 763 HB2 ALA 104 1HB ALA 104 -4.437 -11.848 5.811 764 HB3 ALA 104 2HB ALA 104 -3.470 -10.481 6.368 765 H THR 105 H THR 105 -3.253 -14.756 7.865 766 HA THR 105 HA THR 105 -1.280 -15.969 6.090 767 HB THR 105 HB THR 105 -2.959 -17.316 8.211 768 HG1 THR 105 1HG THR 105 -0.599 -15.830 8.343 769 HG21 THR 105 3HG2 THR 105 -0.371 -18.197 6.933 770 HG22 THR 105 1HG2 THR 105 -1.964 -18.772 6.443 771 HG23 THR 105 2HG2 THR 105 -1.366 -19.110 8.067 772 H THR 106 H THR 106 -1.929 -16.528 4.122 773 HA THR 106 HA THR 106 -4.450 -16.634 3.098 774 HB THR 106 HB THR 106 -3.486 -18.417 1.474 775 HG1 THR 106 1HG THR 106 -1.692 -19.233 2.281 776 HG21 THR 106 3HG2 THR 106 -2.119 -15.740 1.773 777 HG22 THR 106 1HG2 THR 106 -3.664 -16.018 0.970 778 HG23 THR 106 2HG2 THR 106 -2.186 -16.714 0.304 779 H ARG 107 H ARG 107 -5.559 -18.672 2.202 780 HA ARG 107 HA ARG 107 -6.082 -20.423 4.476 781 HB2 ARG 107 1HB ARG 107 -7.570 -20.374 1.854 782 HB3 ARG 107 2HB ARG 107 -8.125 -20.996 3.403 783 HG2 ARG 107 1HG ARG 107 -7.555 -18.094 2.846 784 HG3 ARG 107 2HG ARG 107 -9.153 -18.839 2.755 785 HD2 ARG 107 1HD ARG 107 -7.473 -19.028 5.233 786 HD3 ARG 107 2HD ARG 107 -8.496 -17.626 4.923 787 HE ARG 107 HE ARG 107 -10.207 -19.680 4.607 788 HH11 ARG 107 1HH1 ARG 107 -7.945 -18.864 7.124 789 HH12 ARG 107 2HH1 ARG 107 -8.880 -19.600 8.383 790 HH21 ARG 107 1HH2 ARG 107 -11.447 -20.653 6.256 791 HH22 ARG 107 2HH2 ARG 107 -10.872 -20.618 7.888 792 H SER 108 H SER 108 -6.884 -22.735 3.549 793 HA SER 108 HA SER 108 -4.658 -23.766 1.914 794 HB2 SER 108 1HB SER 108 -6.029 -25.262 4.157 795 HB3 SER 108 2HB SER 108 -4.590 -25.757 3.265 796 HG SER 108 HG SER 108 -3.400 -24.419 4.412 797 H ILE 109 H ILE 109 -5.315 -24.593 0.055 798 HA ILE 109 HA ILE 109 -7.960 -24.906 -0.730 799 HB ILE 109 HB ILE 109 -5.452 -26.176 -1.817 800 HG12 ILE 109 1HG1 ILE 109 -6.251 -24.483 -3.718 801 HG13 ILE 109 2HG1 ILE 109 -7.008 -23.689 -2.341 802 HG21 ILE 109 1HG2 ILE 109 -6.716 -26.816 -3.782 803 HG22 ILE 109 2HG2 ILE 109 -7.408 -27.571 -2.347 804 HG23 ILE 109 3HG2 ILE 109 -8.194 -26.168 -3.071 805 HD11 ILE 109 3HD1 ILE 109 -4.212 -24.443 -1.921 806 HD12 ILE 109 1HD1 ILE 109 -4.476 -23.248 -3.190 807 HD13 ILE 109 2HD1 ILE 109 -5.057 -22.939 -1.553 808 H THR 110 H THR 110 -5.646 -27.443 0.223 809 HA THR 110 HA THR 110 -7.450 -29.589 0.048 810 HB THR 110 HB THR 110 -5.859 -30.834 1.462 811 HG1 THR 110 1HG THR 110 -4.722 -28.249 1.795 812 HG21 THR 110 3HG2 THR 110 -3.807 -30.421 0.022 813 HG22 THR 110 1HG2 THR 110 -4.727 -29.128 -0.747 814 HG23 THR 110 2HG2 THR 110 -5.301 -30.794 -0.838 815 H SER 111 H SER 111 -9.047 -30.257 1.330 816 HA SER 111 HA SER 111 -10.185 -28.784 3.331 817 HB2 SER 111 1HB SER 111 -11.107 -30.862 2.148 818 HB3 SER 111 2HB SER 111 -10.253 -31.800 3.372 819 HG SER 111 HG SER 111 -11.820 -29.728 4.323 820 H GLY 112 H GLY 112 -10.233 -28.910 5.616 821 HA2 GLY 112 1HA GLY 112 -9.357 -29.976 7.651 822 HA3 GLY 112 2HA GLY 112 -7.824 -30.141 6.806 823 HA PRO 113 HA PRO 113 -8.515 -25.491 8.098 824 HB2 PRO 113 1HB PRO 113 -10.053 -25.211 10.318 825 HB3 PRO 113 2HB PRO 113 -10.711 -25.145 8.678 826 HG2 PRO 113 1HG PRO 113 -10.694 -27.422 10.621 827 HG3 PRO 113 2HG PRO 113 -12.004 -26.863 9.564 828 HD2 PRO 113 1HD PRO 113 -10.454 -28.999 8.958 829 HD3 PRO 113 2HD PRO 113 -11.137 -27.931 7.715 830 H SER 114 H SER 114 -8.696 -27.926 10.690 831 HA SER 114 HA SER 114 -6.065 -27.114 11.625 832 HB2 SER 114 1HB SER 114 -8.590 -26.688 13.159 833 HB3 SER 114 2HB SER 114 -7.157 -27.206 14.046 834 HG SER 114 HG SER 114 -6.062 -25.396 13.175 835 H SER 115 H SER 115 -5.234 -28.606 13.317 836 HA SER 115 HA SER 115 -5.737 -31.310 12.544 837 HB2 SER 115 1HB SER 115 -3.523 -30.181 13.386 838 HB3 SER 115 2HB SER 115 -4.145 -30.595 14.984 839 HG SER 115 HG SER 115 -2.832 -32.165 13.394 840 H GLY 116 H GLY 116 -6.190 -29.504 15.582 841 HA2 GLY 116 1HA GLY 116 -7.630 -31.720 16.772 842 HA3 GLY 116 2HA GLY 116 -7.298 -30.165 17.521 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -24.831 23.182 0.192 2 HA2 GLY 1 1HA GLY 1 -25.559 25.984 -0.283 3 HA3 GLY 1 2HA GLY 1 -25.345 25.227 1.288 4 H SER 2 H SER 2 -24.069 27.189 1.709 5 HA SER 2 HA SER 2 -21.406 27.149 0.479 6 HB2 SER 2 1HB SER 2 -21.140 29.394 1.535 7 HB3 SER 2 2HB SER 2 -22.498 29.314 0.413 8 HG SER 2 HG SER 2 -22.819 28.884 3.187 9 H SER 3 H SER 3 -21.948 25.082 2.248 10 HA SER 3 HA SER 3 -20.931 25.753 4.862 11 HB2 SER 3 1HB SER 3 -21.527 23.071 3.589 12 HB3 SER 3 2HB SER 3 -21.089 23.310 5.281 13 HG SER 3 HG SER 3 -22.979 24.459 5.585 14 H GLY 4 H GLY 4 -19.123 26.524 2.901 15 HA2 GLY 4 1HA GLY 4 -16.830 26.490 2.644 16 HA3 GLY 4 2HA GLY 4 -16.765 25.177 3.810 17 H SER 5 H SER 5 -15.032 24.557 2.190 18 HA SER 5 HA SER 5 -16.160 22.549 0.424 19 HB2 SER 5 1HB SER 5 -15.773 24.838 -0.815 20 HB3 SER 5 2HB SER 5 -14.084 24.333 -0.794 21 HG SER 5 HG SER 5 -16.224 23.317 -2.221 22 H SER 6 H SER 6 -14.913 20.765 0.302 23 HA SER 6 HA SER 6 -12.107 20.931 1.126 24 HB2 SER 6 1HB SER 6 -13.335 20.341 3.156 25 HB3 SER 6 2HB SER 6 -14.124 19.008 2.313 26 HG SER 6 HG SER 6 -12.123 18.608 3.658 27 H GLY 7 H GLY 7 -10.866 19.918 -0.300 28 HA2 GLY 7 1HA GLY 7 -11.465 17.336 -1.336 29 HA3 GLY 7 2HA GLY 7 -11.777 18.575 -2.543 30 HA PRO 8 HA PRO 8 -7.553 18.316 -3.718 31 HB2 PRO 8 1HB PRO 8 -7.270 20.742 -4.902 32 HB3 PRO 8 2HB PRO 8 -8.172 19.412 -5.640 33 HG2 PRO 8 1HG PRO 8 -9.194 21.778 -4.117 34 HG3 PRO 8 2HG PRO 8 -9.821 21.051 -5.608 35 HD2 PRO 8 1HD PRO 8 -10.926 20.581 -3.181 36 HD3 PRO 8 2HD PRO 8 -10.914 19.367 -4.476 37 H GLU 9 H GLU 9 -5.586 20.024 -3.790 38 HA GLU 9 HA GLU 9 -4.936 20.510 -1.070 39 HB2 GLU 9 1HB GLU 9 -3.356 19.966 -3.026 40 HB3 GLU 9 2HB GLU 9 -3.456 21.678 -3.416 41 HG2 GLU 9 1HG GLU 9 -2.648 20.708 -0.696 42 HG3 GLU 9 2HG GLU 9 -1.488 20.910 -2.008 43 H ASN 10 H ASN 10 -6.511 21.940 -0.278 44 HA ASN 10 HA ASN 10 -6.266 24.706 -1.266 45 HB2 ASN 10 1HB ASN 10 -8.492 24.225 -1.688 46 HB3 ASN 10 2HB ASN 10 -8.631 23.147 -0.302 47 HD21 ASN 10 1HD2 ASN 10 -9.864 23.903 1.243 48 HD22 ASN 10 2HD2 ASN 10 -10.081 25.565 1.660 49 H ASP 11 H ASP 11 -7.246 22.940 1.678 50 HA ASP 11 HA ASP 11 -5.562 24.780 3.236 51 HB2 ASP 11 1HB ASP 11 -8.189 25.126 3.273 52 HB3 ASP 11 2HB ASP 11 -8.117 23.796 4.427 53 H LEU 12 H LEU 12 -4.821 22.224 2.349 54 HA LEU 12 HA LEU 12 -5.037 20.552 4.753 55 HB2 LEU 12 1HB LEU 12 -3.986 19.800 2.031 56 HB3 LEU 12 2HB LEU 12 -4.305 18.710 3.379 57 HG LEU 12 HG LEU 12 -6.463 20.296 2.001 58 HD11 LEU 12 1HD1 LEU 12 -5.568 18.917 0.299 59 HD12 LEU 12 2HD1 LEU 12 -7.003 18.093 0.907 60 HD13 LEU 12 3HD1 LEU 12 -5.400 17.548 1.398 61 HD21 LEU 12 3HD2 LEU 12 -7.014 17.732 3.330 62 HD22 LEU 12 1HD2 LEU 12 -7.922 19.244 3.350 63 HD23 LEU 12 2HD2 LEU 12 -6.519 19.045 4.399 64 H ASP 13 H ASP 13 -2.945 19.138 5.023 65 HA ASP 13 HA ASP 13 -0.660 20.997 5.034 66 HB2 ASP 13 1HB ASP 13 -1.648 20.235 7.263 67 HB3 ASP 13 2HB ASP 13 -1.004 18.640 6.883 68 H GLU 14 H GLU 14 0.246 20.427 3.077 69 HA GLU 14 HA GLU 14 0.782 17.646 2.473 70 HB2 GLU 14 1HB GLU 14 0.229 19.664 0.845 71 HB3 GLU 14 2HB GLU 14 1.974 19.875 0.889 72 HG2 GLU 14 1HG GLU 14 2.382 17.866 -0.158 73 HG3 GLU 14 2HG GLU 14 0.828 17.183 0.316 74 H SER 15 H SER 15 2.465 20.411 3.748 75 HA SER 15 HA SER 15 5.113 19.664 3.314 76 HB2 SER 15 1HB SER 15 4.169 21.848 4.315 77 HB3 SER 15 2HB SER 15 4.210 20.998 5.860 78 HG SER 15 HG SER 15 6.512 20.902 4.301 79 H GLN 16 H GLN 16 2.743 18.284 5.369 80 HA GLN 16 HA GLN 16 4.813 16.687 6.728 81 HB2 GLN 16 1HB GLN 16 3.430 16.490 8.619 82 HB3 GLN 16 2HB GLN 16 3.285 18.176 8.138 83 HG2 GLN 16 1HG GLN 16 1.136 17.859 7.263 84 HG3 GLN 16 2HG GLN 16 1.309 16.105 7.250 85 HE21 GLN 16 1HE2 GLN 16 -0.155 18.576 8.780 86 HE22 GLN 16 2HE2 GLN 16 -0.402 17.868 10.336 87 H VAL 17 H VAL 17 4.677 14.485 6.693 88 HA VAL 17 HA VAL 17 3.290 13.263 4.563 89 HB VAL 17 HB VAL 17 4.025 11.114 5.574 90 HG11 VAL 17 1HG1 VAL 17 5.740 11.676 4.248 91 HG12 VAL 17 2HG1 VAL 17 5.753 13.347 4.816 92 HG13 VAL 17 3HG1 VAL 17 6.574 12.092 5.745 93 HG21 VAL 17 3HG2 VAL 17 4.680 12.932 7.841 94 HG22 VAL 17 1HG2 VAL 17 3.999 11.305 7.858 95 HG23 VAL 17 2HG2 VAL 17 5.719 11.538 7.542 96 HA PRO 18 HA PRO 18 -0.667 12.395 6.274 97 HB2 PRO 18 1HB PRO 18 -1.312 10.178 4.847 98 HB3 PRO 18 2HB PRO 18 -1.298 11.800 4.146 99 HG2 PRO 18 1HG PRO 18 0.780 9.652 3.989 100 HG3 PRO 18 2HG PRO 18 0.183 10.727 2.711 101 HD2 PRO 18 1HD PRO 18 2.519 11.163 4.009 102 HD3 PRO 18 2HD PRO 18 1.503 12.486 3.401 103 H ASP 19 H ASP 19 -0.905 11.647 8.282 104 HA ASP 19 HA ASP 19 0.556 9.700 9.558 105 HB2 ASP 19 1HB ASP 19 -2.157 10.863 10.022 106 HB3 ASP 19 2HB ASP 19 -1.663 9.470 10.979 107 H GLN 20 H GLN 20 -0.499 7.633 10.535 108 HA GLN 20 HA GLN 20 -1.010 5.873 8.334 109 HB2 GLN 20 1HB GLN 20 -0.582 4.159 9.791 110 HB3 GLN 20 2HB GLN 20 0.234 5.468 10.636 111 HG2 GLN 20 1HG GLN 20 -1.933 5.785 11.920 112 HG3 GLN 20 2HG GLN 20 -2.429 4.232 11.248 113 HE21 GLN 20 1HE2 GLN 20 0.561 3.538 11.334 114 HE22 GLN 20 2HE2 GLN 20 0.803 3.028 12.967 115 HA PRO 21 HA PRO 21 -5.392 5.688 8.330 116 HB2 PRO 21 1HB PRO 21 -5.844 3.056 7.841 117 HB3 PRO 21 2HB PRO 21 -5.222 4.168 6.616 118 HG2 PRO 21 1HG PRO 21 -3.737 2.209 8.325 119 HG3 PRO 21 2HG PRO 21 -3.540 2.563 6.598 120 HD2 PRO 21 1HD PRO 21 -1.886 3.571 8.491 121 HD3 PRO 21 2HD PRO 21 -2.281 4.452 7.001 122 H SER 22 H SER 22 -6.778 5.794 9.972 123 HA SER 22 HA SER 22 -6.503 5.142 12.531 124 HB2 SER 22 1HB SER 22 -9.030 4.708 12.605 125 HB3 SER 22 2HB SER 22 -8.505 6.248 11.926 126 HG SER 22 HG SER 22 -8.883 4.036 10.237 127 H SER 23 H SER 23 -7.287 2.844 10.000 128 HA SER 23 HA SER 23 -6.384 0.652 11.609 129 HB2 SER 23 1HB SER 23 -8.435 0.334 12.565 130 HB3 SER 23 2HB SER 23 -9.289 1.156 11.259 131 HG SER 23 HG SER 23 -8.445 -1.513 11.440 132 H LEU 24 H LEU 24 -6.751 -1.480 10.374 133 HA LEU 24 HA LEU 24 -7.042 -1.200 7.510 134 HB2 LEU 24 1HB LEU 24 -4.806 -0.643 7.460 135 HB3 LEU 24 2HB LEU 24 -4.416 -1.656 8.848 136 HG LEU 24 HG LEU 24 -4.876 -3.638 7.279 137 HD11 LEU 24 1HD1 LEU 24 -5.963 -2.366 5.504 138 HD12 LEU 24 2HD1 LEU 24 -4.520 -3.186 4.910 139 HD13 LEU 24 3HD1 LEU 24 -4.477 -1.454 5.238 140 HD21 LEU 24 3HD2 LEU 24 -2.496 -2.343 6.205 141 HD22 LEU 24 1HD2 LEU 24 -2.655 -3.826 7.147 142 HD23 LEU 24 2HD2 LEU 24 -2.600 -2.264 7.964 143 H HIS 25 H HIS 25 -8.500 -2.776 7.250 144 HA HIS 25 HA HIS 25 -8.256 -5.280 8.703 145 HB2 HIS 25 1HB HIS 25 -10.472 -4.271 8.478 146 HB3 HIS 25 2HB HIS 25 -10.338 -4.330 6.723 147 HD1 HIS 25 1HD HIS 25 -12.161 -5.958 6.177 148 HD2 HIS 25 2HD HIS 25 -9.593 -7.374 9.120 149 HE1 HIS 25 1HE HIS 25 -12.824 -8.354 6.552 150 HE2 HIS 25 2HE HIS 25 -11.314 -9.165 8.397 151 H VAL 26 H VAL 26 -7.766 -7.244 7.829 152 HA VAL 26 HA VAL 26 -7.264 -7.414 4.948 153 HB VAL 26 HB VAL 26 -5.112 -8.556 5.322 154 HG11 VAL 26 1HG1 VAL 26 -4.182 -6.251 6.578 155 HG12 VAL 26 2HG1 VAL 26 -4.354 -6.519 4.842 156 HG13 VAL 26 3HG1 VAL 26 -5.657 -5.753 5.751 157 HG21 VAL 26 3HG2 VAL 26 -4.038 -8.204 7.593 158 HG22 VAL 26 1HG2 VAL 26 -5.656 -7.838 8.191 159 HG23 VAL 26 2HG2 VAL 26 -5.306 -9.426 7.508 160 H ARG 27 H ARG 27 -8.043 -9.237 4.107 161 HA ARG 27 HA ARG 27 -8.603 -11.481 5.933 162 HB2 ARG 27 1HB ARG 27 -10.219 -10.227 3.772 163 HB3 ARG 27 2HB ARG 27 -10.334 -11.972 3.961 164 HG2 ARG 27 1HG ARG 27 -10.750 -11.417 6.461 165 HG3 ARG 27 2HG ARG 27 -11.145 -9.809 5.849 166 HD2 ARG 27 1HD ARG 27 -12.757 -10.897 4.277 167 HD3 ARG 27 2HD ARG 27 -12.447 -12.422 5.104 168 HE ARG 27 HE ARG 27 -14.087 -10.264 6.023 169 HH11 ARG 27 1HH1 ARG 27 -12.087 -12.929 7.032 170 HH12 ARG 27 2HH1 ARG 27 -12.888 -13.123 8.556 171 HH21 ARG 27 1HH2 ARG 27 -15.150 -10.510 8.027 172 HH22 ARG 27 2HH2 ARG 27 -14.631 -11.748 9.120 173 HA PRO 28 HA PRO 28 -5.587 -13.380 3.176 174 HB2 PRO 28 1HB PRO 28 -5.204 -15.565 4.742 175 HB3 PRO 28 2HB PRO 28 -4.430 -14.007 5.060 176 HG2 PRO 28 1HG PRO 28 -6.869 -15.203 6.318 177 HG3 PRO 28 2HG PRO 28 -5.525 -14.337 7.085 178 HD2 PRO 28 1HD PRO 28 -7.902 -13.157 6.550 179 HD3 PRO 28 2HD PRO 28 -6.365 -12.269 6.512 180 H GLN 29 H GLN 29 -6.713 -14.053 1.408 181 HA GLN 29 HA GLN 29 -8.701 -16.166 1.673 182 HB2 GLN 29 1HB GLN 29 -7.841 -14.857 -0.897 183 HB3 GLN 29 2HB GLN 29 -9.364 -15.659 -0.538 184 HG2 GLN 29 1HG GLN 29 -8.649 -13.266 1.059 185 HG3 GLN 29 2HG GLN 29 -9.142 -13.029 -0.617 186 HE21 GLN 29 1HE2 GLN 29 -10.731 -11.869 1.063 187 HE22 GLN 29 2HE2 GLN 29 -12.195 -12.748 1.324 188 H THR 30 H THR 30 -8.626 -17.814 -0.239 189 HA THR 30 HA THR 30 -6.608 -19.613 0.179 190 HB THR 30 HB THR 30 -7.701 -19.481 -2.591 191 HG1 THR 30 1HG THR 30 -9.250 -19.912 -0.240 192 HG21 THR 30 3HG2 THR 30 -7.022 -21.558 -0.560 193 HG22 THR 30 1HG2 THR 30 -6.577 -21.464 -2.263 194 HG23 THR 30 2HG2 THR 30 -8.213 -21.938 -1.803 195 H ASN 31 H ASN 31 -6.831 -17.827 -2.897 196 HA ASN 31 HA ASN 31 -3.886 -17.739 -2.943 197 HB2 ASN 31 1HB ASN 31 -5.857 -17.972 -5.223 198 HB3 ASN 31 2HB ASN 31 -4.140 -17.650 -5.448 199 HD21 ASN 31 1HD2 ASN 31 -2.938 -19.279 -3.691 200 HD22 ASN 31 2HD2 ASN 31 -3.286 -20.933 -4.051 201 H CYS 32 H CYS 32 -5.952 -15.798 -1.892 202 HA CYS 32 HA CYS 32 -4.758 -13.436 -3.083 203 HB2 CYS 32 1HB CYS 32 -7.740 -13.407 -2.844 204 HB3 CYS 32 2HB CYS 32 -6.693 -12.424 -3.861 205 HG CYS 32 HG CYS 32 -8.397 -15.051 -4.688 206 H ILE 33 H ILE 33 -5.653 -11.414 -1.904 207 HA ILE 33 HA ILE 33 -6.577 -11.873 0.792 208 HB ILE 33 HB ILE 33 -3.844 -10.650 0.402 209 HG12 ILE 33 1HG1 ILE 33 -4.657 -13.380 1.416 210 HG13 ILE 33 2HG1 ILE 33 -3.680 -13.024 -0.005 211 HG21 ILE 33 1HG2 ILE 33 -3.848 -10.106 2.588 212 HG22 ILE 33 2HG2 ILE 33 -5.599 -10.145 2.386 213 HG23 ILE 33 3HG2 ILE 33 -4.757 -11.544 3.053 214 HD11 ILE 33 3HD1 ILE 33 -2.806 -12.234 2.750 215 HD12 ILE 33 1HD1 ILE 33 -2.479 -13.834 2.082 216 HD13 ILE 33 2HD1 ILE 33 -1.837 -12.397 1.286 217 H ILE 34 H ILE 34 -8.180 -10.417 0.717 218 HA ILE 34 HA ILE 34 -7.780 -7.823 -0.524 219 HB ILE 34 HB ILE 34 -10.205 -9.007 0.833 220 HG12 ILE 34 1HG1 ILE 34 -11.083 -9.121 -1.494 221 HG13 ILE 34 2HG1 ILE 34 -9.513 -8.586 -2.083 222 HG21 ILE 34 1HG2 ILE 34 -11.257 -7.047 0.679 223 HG22 ILE 34 2HG2 ILE 34 -9.663 -6.332 0.443 224 HG23 ILE 34 3HG2 ILE 34 -10.652 -6.760 -0.953 225 HD11 ILE 34 3HD1 ILE 34 -10.058 -11.087 -2.132 226 HD12 ILE 34 1HD1 ILE 34 -8.484 -10.585 -1.515 227 HD13 ILE 34 2HD1 ILE 34 -9.767 -11.039 -0.393 228 H MET 35 H MET 35 -7.551 -5.914 0.513 229 HA MET 35 HA MET 35 -7.742 -5.906 3.448 230 HB2 MET 35 1HB MET 35 -5.761 -4.181 3.204 231 HB3 MET 35 2HB MET 35 -5.452 -5.910 3.291 232 HG2 MET 35 1HG MET 35 -5.206 -6.037 0.902 233 HG3 MET 35 2HG MET 35 -5.662 -4.343 0.733 234 HE1 MET 35 3HE MET 35 -2.701 -2.529 2.499 235 HE2 MET 35 1HE MET 35 -3.804 -2.263 1.149 236 HE3 MET 35 2HE MET 35 -4.436 -2.766 2.716 237 H SER 36 H SER 36 -8.643 -4.118 4.354 238 HA SER 36 HA SER 36 -9.284 -1.861 2.581 239 HB2 SER 36 1HB SER 36 -11.538 -1.751 3.414 240 HB3 SER 36 2HB SER 36 -11.252 -3.404 2.872 241 HG SER 36 HG SER 36 -12.287 -3.203 4.965 242 H TRP 37 H TRP 37 -8.409 -0.081 3.380 243 HA TRP 37 HA TRP 37 -8.183 0.189 6.305 244 HB2 TRP 37 1HB TRP 37 -6.264 1.679 5.886 245 HB3 TRP 37 2HB TRP 37 -6.001 0.071 5.218 246 HD1 TRP 37 HD TRP 37 -6.203 3.701 4.236 247 HE1 TRP 37 1HE TRP 37 -5.728 3.937 1.717 248 HE3 TRP 37 3HE TRP 37 -6.356 -1.236 2.914 249 HZ2 TRP 37 2HZ TRP 37 -5.455 2.254 -0.532 250 HZ3 TRP 37 3HZ TRP 37 -5.978 -1.838 0.559 251 HH2 TRP 37 HH TRP 37 -5.538 -0.128 -1.127 252 H THR 38 H THR 38 -7.875 2.681 6.836 253 HA THR 38 HA THR 38 -9.962 4.176 5.393 254 HB THR 38 HB THR 38 -10.196 5.237 7.860 255 HG1 THR 38 1HG THR 38 -9.873 2.470 8.396 256 HG21 THR 38 3HG2 THR 38 -11.681 3.428 6.211 257 HG22 THR 38 1HG2 THR 38 -12.278 4.618 7.366 258 HG23 THR 38 2HG2 THR 38 -11.894 2.983 7.904 259 HA PRO 39 HA PRO 39 -7.239 7.612 5.201 260 HB2 PRO 39 1HB PRO 39 -8.880 9.717 5.701 261 HB3 PRO 39 2HB PRO 39 -8.934 8.793 4.195 262 HG2 PRO 39 1HG PRO 39 -10.691 8.584 6.609 263 HG3 PRO 39 2HG PRO 39 -11.139 8.558 4.894 264 HD2 PRO 39 1HD PRO 39 -10.940 6.305 6.381 265 HD3 PRO 39 2HD PRO 39 -10.563 6.340 4.647 266 HA PRO 40 HA PRO 40 -5.741 8.937 9.117 267 HB2 PRO 40 1HB PRO 40 -4.955 11.493 8.649 268 HB3 PRO 40 2HB PRO 40 -4.090 10.090 8.011 269 HG2 PRO 40 1HG PRO 40 -6.069 11.876 6.649 270 HG3 PRO 40 2HG PRO 40 -4.540 11.224 6.031 271 HD2 PRO 40 1HD PRO 40 -6.944 10.154 5.393 272 HD3 PRO 40 2HD PRO 40 -5.470 9.175 5.534 273 H LEU 41 H LEU 41 -6.637 9.598 10.974 274 HA LEU 41 HA LEU 41 -9.172 10.593 11.235 275 HB2 LEU 41 1HB LEU 41 -6.792 10.780 13.053 276 HB3 LEU 41 2HB LEU 41 -8.367 11.416 13.524 277 HG LEU 41 HG LEU 41 -8.184 8.578 12.635 278 HD11 LEU 41 1HD1 LEU 41 -7.226 9.639 15.281 279 HD12 LEU 41 2HD1 LEU 41 -6.353 8.620 14.137 280 HD13 LEU 41 3HD1 LEU 41 -7.725 7.966 15.031 281 HD21 LEU 41 3HD2 LEU 41 -9.980 8.313 14.252 282 HD22 LEU 41 1HD2 LEU 41 -10.350 9.616 13.123 283 HD23 LEU 41 2HD2 LEU 41 -9.797 9.995 14.754 284 H ASN 42 H ASN 42 -6.346 12.312 10.347 285 HA ASN 42 HA ASN 42 -7.657 14.894 10.850 286 HB2 ASN 42 1HB ASN 42 -5.150 14.200 11.509 287 HB3 ASN 42 2HB ASN 42 -4.850 14.786 9.876 288 HD21 ASN 42 1HD2 ASN 42 -4.952 16.936 9.453 289 HD22 ASN 42 2HD2 ASN 42 -5.201 18.141 10.665 290 HA PRO 43 HA PRO 43 -8.452 14.482 6.392 291 HB2 PRO 43 1HB PRO 43 -10.515 16.247 6.391 292 HB3 PRO 43 2HB PRO 43 -10.701 14.552 6.858 293 HG2 PRO 43 1HG PRO 43 -10.399 16.973 8.594 294 HG3 PRO 43 2HG PRO 43 -11.496 15.592 8.780 295 HD2 PRO 43 1HD PRO 43 -9.197 15.828 10.191 296 HD3 PRO 43 2HD PRO 43 -9.859 14.255 9.700 297 H ASN 44 H ASN 44 -7.132 16.855 8.299 298 HA ASN 44 HA ASN 44 -7.137 18.949 6.279 299 HB2 ASN 44 1HB ASN 44 -5.762 18.872 8.975 300 HB3 ASN 44 2HB ASN 44 -5.945 20.286 7.940 301 HD21 ASN 44 1HD2 ASN 44 -7.769 17.853 9.728 302 HD22 ASN 44 2HD2 ASN 44 -9.121 18.869 10.081 303 H ILE 45 H ILE 45 -5.577 16.175 6.451 304 HA ILE 45 HA ILE 45 -2.949 17.262 5.699 305 HB ILE 45 HB ILE 45 -3.638 14.406 6.392 306 HG12 ILE 45 1HG1 ILE 45 -3.929 15.782 8.360 307 HG13 ILE 45 2HG1 ILE 45 -2.426 14.881 8.519 308 HG21 ILE 45 1HG2 ILE 45 -0.945 14.785 6.789 309 HG22 ILE 45 2HG2 ILE 45 -1.684 14.011 5.388 310 HG23 ILE 45 3HG2 ILE 45 -1.269 15.724 5.332 311 HD11 ILE 45 3HD1 ILE 45 -2.118 17.140 9.282 312 HD12 ILE 45 1HD1 ILE 45 -1.186 16.881 7.807 313 HD13 ILE 45 2HD1 ILE 45 -2.707 17.773 7.745 314 H VAL 46 H VAL 46 -1.949 16.627 3.783 315 HA VAL 46 HA VAL 46 -3.772 15.943 1.646 316 HB VAL 46 HB VAL 46 -0.833 16.630 1.641 317 HG11 VAL 46 1HG1 VAL 46 -2.651 16.133 -0.715 318 HG12 VAL 46 2HG1 VAL 46 -0.983 16.703 -0.794 319 HG13 VAL 46 3HG1 VAL 46 -1.336 15.085 -0.188 320 HG21 VAL 46 3HG2 VAL 46 -1.952 18.609 2.050 321 HG22 VAL 46 1HG2 VAL 46 -1.867 18.603 0.288 322 HG23 VAL 46 2HG2 VAL 46 -3.360 18.133 1.101 323 H VAL 47 H VAL 47 -3.910 14.050 0.582 324 HA VAL 47 HA VAL 47 -1.953 11.949 1.235 325 HB VAL 47 HB VAL 47 -4.940 11.573 0.972 326 HG11 VAL 47 1HG1 VAL 47 -3.127 9.428 1.937 327 HG12 VAL 47 2HG1 VAL 47 -4.651 9.313 1.054 328 HG13 VAL 47 3HG1 VAL 47 -3.169 9.755 0.205 329 HG21 VAL 47 3HG2 VAL 47 -4.385 12.589 3.089 330 HG22 VAL 47 1HG2 VAL 47 -4.801 10.896 3.350 331 HG23 VAL 47 2HG2 VAL 47 -3.112 11.401 3.366 332 H ARG 48 H ARG 48 -0.931 11.308 -0.534 333 HA ARG 48 HA ARG 48 -2.184 11.698 -3.146 334 HB2 ARG 48 1HB ARG 48 0.654 10.951 -2.413 335 HB3 ARG 48 2HB ARG 48 0.071 11.241 -4.047 336 HG2 ARG 48 1HG ARG 48 0.187 13.252 -1.809 337 HG3 ARG 48 2HG ARG 48 1.247 13.179 -3.218 338 HD2 ARG 48 1HD ARG 48 -1.023 13.311 -4.532 339 HD3 ARG 48 2HD ARG 48 -1.608 14.015 -3.024 340 HE ARG 48 HE ARG 48 0.613 15.450 -3.506 341 HH11 ARG 48 1HH1 ARG 48 -2.113 14.604 -5.500 342 HH12 ARG 48 2HH1 ARG 48 -2.026 16.046 -6.456 343 HH21 ARG 48 1HH2 ARG 48 0.737 17.352 -4.759 344 HH22 ARG 48 2HH2 ARG 48 -0.405 17.608 -6.035 345 H GLY 49 H GLY 49 -1.663 9.252 -0.870 346 HA2 GLY 49 1HA GLY 49 -3.060 7.245 -1.932 347 HA3 GLY 49 2HA GLY 49 -1.551 7.092 -2.819 348 H TYR 50 H TYR 50 -1.648 4.927 -1.752 349 HA TYR 50 HA TYR 50 -0.169 5.057 0.774 350 HB2 TYR 50 1HB TYR 50 -2.167 2.867 0.487 351 HB3 TYR 50 2HB TYR 50 -1.561 3.651 1.941 352 HD1 TYR 50 2HD TYR 50 -3.728 4.277 -1.026 353 HD2 TYR 50 1HD TYR 50 -2.871 5.237 3.030 354 HE1 TYR 50 2HE TYR 50 -5.765 5.652 -0.927 355 HE2 TYR 50 1HE TYR 50 -4.906 6.614 3.140 356 HH TYR 50 HH TYR 50 -6.905 7.033 2.080 357 H ILE 51 H ILE 51 1.324 3.416 1.081 358 HA ILE 51 HA ILE 51 1.971 1.892 -1.332 359 HB ILE 51 HB ILE 51 3.622 2.419 1.142 360 HG12 ILE 51 1HG1 ILE 51 4.173 3.436 -1.634 361 HG13 ILE 51 2HG1 ILE 51 3.096 4.311 -0.551 362 HG21 ILE 51 1HG2 ILE 51 3.931 0.524 -1.038 363 HG22 ILE 51 2HG2 ILE 51 5.316 1.602 -0.876 364 HG23 ILE 51 3HG2 ILE 51 4.790 0.631 0.499 365 HD11 ILE 51 3HD1 ILE 51 5.045 4.217 1.117 366 HD12 ILE 51 1HD1 ILE 51 6.030 3.813 -0.288 367 HD13 ILE 51 2HD1 ILE 51 5.146 5.339 -0.240 368 H ILE 52 H ILE 52 1.053 -0.055 -1.408 369 HA ILE 52 HA ILE 52 0.532 -1.555 1.022 370 HB ILE 52 HB ILE 52 -0.055 -2.200 -1.869 371 HG12 ILE 52 1HG1 ILE 52 -1.951 -1.473 0.370 372 HG13 ILE 52 2HG1 ILE 52 -1.326 -0.309 -0.793 373 HG21 ILE 52 1HG2 ILE 52 -1.085 -3.660 0.551 374 HG22 ILE 52 2HG2 ILE 52 -1.255 -4.110 -1.145 375 HG23 ILE 52 3HG2 ILE 52 0.325 -4.189 -0.366 376 HD11 ILE 52 3HD1 ILE 52 -3.136 -0.787 -1.987 377 HD12 ILE 52 1HD1 ILE 52 -2.320 -2.295 -2.398 378 HD13 ILE 52 2HD1 ILE 52 -3.468 -2.250 -1.059 379 H GLY 53 H GLY 53 2.377 -2.391 1.857 380 HA2 GLY 53 1HA GLY 53 4.170 -3.866 0.046 381 HA3 GLY 53 2HA GLY 53 4.605 -3.264 1.639 382 H TYR 54 H TYR 54 3.165 -5.843 -0.156 383 HA TYR 54 HA TYR 54 2.751 -7.354 2.338 384 HB2 TYR 54 1HB TYR 54 1.142 -8.702 1.182 385 HB3 TYR 54 2HB TYR 54 0.751 -7.017 0.854 386 HD1 TYR 54 1HD TYR 54 1.573 -6.027 -1.367 387 HD2 TYR 54 2HD TYR 54 1.453 -10.206 -0.579 388 HE1 TYR 54 1HE TYR 54 1.635 -6.478 -3.784 389 HE2 TYR 54 2HE TYR 54 1.516 -10.669 -2.994 390 HH TYR 54 HH TYR 54 1.859 -8.057 -5.357 391 H GLY 55 H GLY 55 3.277 -9.656 2.276 392 HA2 GLY 55 1HA GLY 55 4.664 -10.999 0.313 393 HA3 GLY 55 2HA GLY 55 5.884 -10.081 1.183 394 H VAL 56 H VAL 56 5.105 -13.044 0.929 395 HA VAL 56 HA VAL 56 4.266 -13.938 3.471 396 HB VAL 56 HB VAL 56 4.216 -15.331 1.411 397 HG11 VAL 56 1HG1 VAL 56 6.536 -14.619 0.689 398 HG12 VAL 56 2HG1 VAL 56 7.155 -15.782 1.863 399 HG13 VAL 56 3HG1 VAL 56 6.157 -16.333 0.516 400 HG21 VAL 56 3HG2 VAL 56 5.273 -16.194 4.022 401 HG22 VAL 56 1HG2 VAL 56 3.857 -16.749 3.128 402 HG23 VAL 56 2HG2 VAL 56 5.460 -17.350 2.703 403 H GLY 57 H GLY 57 5.310 -13.765 5.337 404 HA2 GLY 57 1HA GLY 57 7.050 -14.107 6.849 405 HA3 GLY 57 2HA GLY 57 8.129 -14.422 5.499 406 H SER 58 H SER 58 6.948 -11.780 4.358 407 HA SER 58 HA SER 58 7.944 -9.736 6.083 408 HB2 SER 58 1HB SER 58 9.586 -9.963 3.596 409 HB3 SER 58 2HB SER 58 9.991 -9.224 5.145 410 HG SER 58 HG SER 58 10.146 -11.895 4.343 411 HA PRO 59 HA PRO 59 5.055 -7.679 3.419 412 HB2 PRO 59 1HB PRO 59 5.287 -5.222 4.550 413 HB3 PRO 59 2HB PRO 59 4.381 -6.542 5.299 414 HG2 PRO 59 1HG PRO 59 7.159 -5.585 5.874 415 HG3 PRO 59 2HG PRO 59 5.881 -6.058 7.009 416 HD2 PRO 59 1HD PRO 59 7.923 -7.707 6.346 417 HD3 PRO 59 2HD PRO 59 6.300 -8.308 6.739 418 H TYR 60 H TYR 60 8.209 -7.724 3.053 419 HA TYR 60 HA TYR 60 8.319 -5.368 1.288 420 HB2 TYR 60 1HB TYR 60 10.747 -6.863 2.235 421 HB3 TYR 60 2HB TYR 60 10.628 -5.205 1.656 422 HD1 TYR 60 1HD TYR 60 8.867 -3.767 3.180 423 HD2 TYR 60 2HD TYR 60 11.194 -7.084 4.478 424 HE1 TYR 60 1HE TYR 60 8.706 -2.965 5.499 425 HE2 TYR 60 2HE TYR 60 11.038 -6.292 6.801 426 HH TYR 60 HH TYR 60 9.212 -4.727 8.094 427 H ALA 61 H ALA 61 7.288 -8.175 0.815 428 HA ALA 61 HA ALA 61 9.144 -9.199 -1.177 429 HB1 ALA 61 3HB ALA 61 6.420 -10.336 -0.722 430 HB2 ALA 61 1HB ALA 61 7.917 -11.152 -1.177 431 HB3 ALA 61 2HB ALA 61 7.689 -10.583 0.478 432 H GLU 62 H GLU 62 6.088 -7.499 -0.995 433 HA GLU 62 HA GLU 62 6.276 -6.891 -3.833 434 HB2 GLU 62 1HB GLU 62 3.990 -8.394 -2.587 435 HB3 GLU 62 2HB GLU 62 3.749 -7.398 -4.016 436 HG2 GLU 62 1HG GLU 62 5.855 -9.525 -3.930 437 HG3 GLU 62 2HG GLU 62 4.182 -9.893 -4.343 438 H THR 63 H THR 63 5.965 -4.788 -4.080 439 HA THR 63 HA THR 63 4.323 -3.365 -2.087 440 HB THR 63 HB THR 63 5.806 -1.385 -3.234 441 HG1 THR 63 1HG THR 63 7.025 -3.183 -4.287 442 HG21 THR 63 3HG2 THR 63 5.764 -1.266 -0.961 443 HG22 THR 63 1HG2 THR 63 7.380 -1.945 -1.147 444 HG23 THR 63 2HG2 THR 63 6.021 -2.999 -0.755 445 H VAL 64 H VAL 64 2.774 -1.948 -2.771 446 HA VAL 64 HA VAL 64 2.521 -1.396 -5.631 447 HB VAL 64 HB VAL 64 0.511 -2.883 -3.978 448 HG11 VAL 64 1HG1 VAL 64 -1.034 -1.385 -4.664 449 HG12 VAL 64 2HG1 VAL 64 -0.032 -0.797 -5.993 450 HG13 VAL 64 3HG1 VAL 64 -0.937 -2.301 -6.168 451 HG21 VAL 64 3HG2 VAL 64 1.845 -4.273 -5.352 452 HG22 VAL 64 1HG2 VAL 64 0.294 -4.116 -6.177 453 HG23 VAL 64 2HG2 VAL 64 1.686 -3.187 -6.732 454 H ARG 65 H ARG 65 2.450 0.747 -5.730 455 HA ARG 65 HA ARG 65 1.327 2.295 -3.544 456 HB2 ARG 65 1HB ARG 65 3.008 2.882 -5.932 457 HB3 ARG 65 2HB ARG 65 2.033 4.190 -5.275 458 HG2 ARG 65 1HG ARG 65 3.245 4.316 -3.348 459 HG3 ARG 65 2HG ARG 65 3.704 2.612 -3.396 460 HD2 ARG 65 1HD ARG 65 5.032 3.330 -5.526 461 HD3 ARG 65 2HD ARG 65 4.899 4.944 -4.830 462 HE ARG 65 HE ARG 65 5.853 3.048 -2.930 463 HH11 ARG 65 1HH1 ARG 65 6.810 5.011 -5.641 464 HH12 ARG 65 2HH1 ARG 65 8.469 5.106 -5.154 465 HH21 ARG 65 1HH2 ARG 65 8.035 3.166 -2.278 466 HH22 ARG 65 2HH2 ARG 65 9.166 4.055 -3.241 467 H VAL 66 H VAL 66 -0.768 2.734 -3.494 468 HA VAL 66 HA VAL 66 -2.244 2.931 -6.031 469 HB VAL 66 HB VAL 66 -4.275 2.749 -4.445 470 HG11 VAL 66 1HG1 VAL 66 -2.411 0.429 -4.924 471 HG12 VAL 66 2HG1 VAL 66 -4.100 0.274 -4.436 472 HG13 VAL 66 3HG1 VAL 66 -3.693 1.000 -5.991 473 HG21 VAL 66 3HG2 VAL 66 -2.449 2.961 -2.481 474 HG22 VAL 66 1HG2 VAL 66 -4.004 2.151 -2.282 475 HG23 VAL 66 2HG2 VAL 66 -2.553 1.205 -2.611 476 H ASP 67 H ASP 67 -4.241 4.426 -5.803 477 HA ASP 67 HA ASP 67 -3.240 7.060 -5.250 478 HB2 ASP 67 1HB ASP 67 -5.991 6.150 -6.124 479 HB3 ASP 67 2HB ASP 67 -5.433 7.820 -6.090 480 H SER 68 H SER 68 -4.574 8.648 -4.005 481 HA SER 68 HA SER 68 -4.934 7.690 -1.342 482 HB2 SER 68 1HB SER 68 -5.290 9.957 -0.734 483 HB3 SER 68 2HB SER 68 -4.111 10.005 -2.045 484 HG SER 68 HG SER 68 -5.481 11.322 -2.936 485 H LYS 69 H LYS 69 -6.850 7.244 -3.888 486 HA LYS 69 HA LYS 69 -9.380 7.782 -2.516 487 HB2 LYS 69 1HB LYS 69 -10.247 6.858 -4.827 488 HB3 LYS 69 2HB LYS 69 -9.663 8.510 -4.679 489 HG2 LYS 69 1HG LYS 69 -7.602 7.977 -5.697 490 HG3 LYS 69 2HG LYS 69 -7.900 6.243 -5.559 491 HD2 LYS 69 1HD LYS 69 -9.778 6.457 -7.132 492 HD3 LYS 69 2HD LYS 69 -9.440 8.183 -7.286 493 HE2 LYS 69 1HE LYS 69 -7.102 7.497 -8.017 494 HE3 LYS 69 2HE LYS 69 -7.741 5.861 -8.162 495 HZ1 LYS 69 3HZ LYS 69 -8.325 6.456 -10.209 496 HZ2 LYS 69 1HZ LYS 69 -8.068 8.101 -9.912 497 HZ3 LYS 69 2HZ LYS 69 -9.547 7.390 -9.505 498 H GLN 70 H GLN 70 -7.404 5.152 -3.751 499 HA GLN 70 HA GLN 70 -9.222 3.052 -3.508 500 HB2 GLN 70 1HB GLN 70 -6.273 2.821 -2.923 501 HB3 GLN 70 2HB GLN 70 -7.346 1.584 -3.564 502 HG2 GLN 70 1HG GLN 70 -6.328 4.042 -4.957 503 HG3 GLN 70 2HG GLN 70 -6.008 2.355 -5.355 504 HE21 GLN 70 1HE2 GLN 70 -8.714 4.615 -4.983 505 HE22 GLN 70 2HE2 GLN 70 -9.631 4.005 -6.314 506 H ARG 71 H ARG 71 -10.339 2.477 -1.772 507 HA ARG 71 HA ARG 71 -9.204 2.925 0.888 508 HB2 ARG 71 1HB ARG 71 -11.357 3.816 0.826 509 HB3 ARG 71 2HB ARG 71 -11.981 2.497 -0.156 510 HG2 ARG 71 1HG ARG 71 -12.128 1.049 1.670 511 HG3 ARG 71 2HG ARG 71 -11.060 2.048 2.659 512 HD2 ARG 71 1HD ARG 71 -13.068 2.647 3.558 513 HD3 ARG 71 2HD ARG 71 -12.967 3.838 2.262 514 HE ARG 71 HE ARG 71 -14.285 1.416 1.474 515 HH11 ARG 71 1HH1 ARG 71 -14.695 4.509 3.018 516 HH12 ARG 71 2HH1 ARG 71 -16.390 4.603 2.672 517 HH21 ARG 71 1HH2 ARG 71 -16.516 1.528 1.013 518 HH22 ARG 71 2HH2 ARG 71 -17.425 2.906 1.532 519 H TYR 72 H TYR 72 -9.143 0.538 -1.311 520 HA TYR 72 HA TYR 72 -8.407 -1.455 0.575 521 HB2 TYR 72 1HB TYR 72 -10.186 -2.897 0.581 522 HB3 TYR 72 2HB TYR 72 -11.064 -1.382 0.405 523 HD1 TYR 72 1HD TYR 72 -11.879 -0.697 -1.862 524 HD2 TYR 72 2HD TYR 72 -10.244 -4.553 -1.113 525 HE1 TYR 72 1HE TYR 72 -12.904 -1.527 -3.937 526 HE2 TYR 72 2HE TYR 72 -11.264 -5.394 -3.187 527 HH TYR 72 HH TYR 72 -12.659 -4.938 -4.870 528 H TYR 73 H TYR 73 -7.560 -3.362 -0.426 529 HA TYR 73 HA TYR 73 -7.324 -3.289 -3.343 530 HB2 TYR 73 1HB TYR 73 -5.358 -2.106 -2.269 531 HB3 TYR 73 2HB TYR 73 -4.911 -3.655 -1.564 532 HD1 TYR 73 2HD TYR 73 -4.287 -5.552 -3.074 533 HD2 TYR 73 1HD TYR 73 -4.856 -1.595 -4.530 534 HE1 TYR 73 2HE TYR 73 -3.061 -6.137 -5.124 535 HE2 TYR 73 1HE TYR 73 -3.633 -2.169 -6.585 536 HH TYR 73 HH TYR 73 -3.127 -4.297 -7.892 537 H SER 74 H SER 74 -7.365 -5.254 -4.274 538 HA SER 74 HA SER 74 -7.469 -7.578 -2.481 539 HB2 SER 74 1HB SER 74 -8.360 -7.636 -5.349 540 HB3 SER 74 2HB SER 74 -8.918 -8.614 -3.992 541 HG SER 74 HG SER 74 -10.434 -7.195 -3.753 542 H ILE 75 H ILE 75 -5.414 -8.302 -2.294 543 HA ILE 75 HA ILE 75 -3.621 -8.409 -4.544 544 HB ILE 75 HB ILE 75 -3.230 -9.730 -1.862 545 HG12 ILE 75 1HG1 ILE 75 -2.590 -6.894 -2.701 546 HG13 ILE 75 2HG1 ILE 75 -3.772 -7.381 -1.491 547 HG21 ILE 75 1HG2 ILE 75 -0.919 -9.684 -2.363 548 HG22 ILE 75 2HG2 ILE 75 -1.725 -10.300 -3.805 549 HG23 ILE 75 3HG2 ILE 75 -1.168 -8.628 -3.753 550 HD11 ILE 75 3HD1 ILE 75 -1.818 -6.597 -0.376 551 HD12 ILE 75 1HD1 ILE 75 -1.911 -8.345 -0.159 552 HD13 ILE 75 2HD1 ILE 75 -0.784 -7.660 -1.330 553 H GLU 76 H GLU 76 -3.677 -9.941 -6.037 554 HA GLU 76 HA GLU 76 -4.600 -12.630 -5.262 555 HB2 GLU 76 1HB GLU 76 -4.765 -11.402 -8.016 556 HB3 GLU 76 2HB GLU 76 -5.456 -12.932 -7.495 557 HG2 GLU 76 1HG GLU 76 -6.712 -11.380 -5.773 558 HG3 GLU 76 2HG GLU 76 -6.390 -10.159 -7.003 559 H ARG 77 H ARG 77 -3.817 -14.246 -7.121 560 HA ARG 77 HA ARG 77 -2.080 -15.367 -8.075 561 HB2 ARG 77 1HB ARG 77 -0.596 -12.737 -8.073 562 HB3 ARG 77 2HB ARG 77 -0.266 -14.143 -9.076 563 HG2 ARG 77 1HG ARG 77 -2.817 -12.554 -9.206 564 HG3 ARG 77 2HG ARG 77 -1.419 -12.273 -10.246 565 HD2 ARG 77 1HD ARG 77 -2.796 -14.940 -10.025 566 HD3 ARG 77 2HD ARG 77 -3.252 -13.719 -11.213 567 HE ARG 77 HE ARG 77 -0.581 -14.013 -11.589 568 HH11 ARG 77 1HH1 ARG 77 -3.269 -16.224 -11.499 569 HH12 ARG 77 2HH1 ARG 77 -2.552 -17.345 -12.608 570 HH21 ARG 77 1HH2 ARG 77 0.373 -15.482 -13.051 571 HH22 ARG 77 2HH2 ARG 77 -0.480 -16.922 -13.490 572 H LEU 78 H LEU 78 -2.356 -15.239 -5.246 573 HA LEU 78 HA LEU 78 0.438 -15.281 -4.330 574 HB2 LEU 78 1HB LEU 78 -2.064 -15.271 -2.653 575 HB3 LEU 78 2HB LEU 78 -0.407 -15.069 -2.089 576 HG LEU 78 HG LEU 78 -1.769 -13.108 -3.926 577 HD11 LEU 78 1HD1 LEU 78 -2.097 -11.721 -1.910 578 HD12 LEU 78 2HD1 LEU 78 -1.595 -13.088 -0.916 579 HD13 LEU 78 3HD1 LEU 78 -3.060 -13.199 -1.892 580 HD21 LEU 78 3HD2 LEU 78 0.868 -13.407 -3.351 581 HD22 LEU 78 1HD2 LEU 78 0.367 -12.276 -2.093 582 HD23 LEU 78 2HD2 LEU 78 0.105 -11.878 -3.792 583 H GLU 79 H GLU 79 0.558 -16.914 -2.315 584 HA GLU 79 HA GLU 79 -0.105 -19.520 -3.463 585 HB2 GLU 79 1HB GLU 79 1.525 -20.418 -1.860 586 HB3 GLU 79 2HB GLU 79 2.227 -19.153 -2.858 587 HG2 GLU 79 1HG GLU 79 1.689 -17.573 -0.930 588 HG3 GLU 79 2HG GLU 79 1.434 -19.031 0.028 589 H SER 80 H SER 80 -0.242 -21.202 -1.421 590 HA SER 80 HA SER 80 -2.432 -20.197 0.275 591 HB2 SER 80 1HB SER 80 -3.737 -22.049 -0.147 592 HB3 SER 80 2HB SER 80 -2.909 -21.909 -1.698 593 HG SER 80 HG SER 80 -2.567 -23.776 0.350 594 H SER 81 H SER 81 -2.580 -21.027 2.374 595 HA SER 81 HA SER 81 -1.780 -21.746 4.379 596 HB2 SER 81 1HB SER 81 -1.775 -23.931 2.955 597 HB3 SER 81 2HB SER 81 -0.022 -23.732 2.967 598 HG SER 81 HG SER 81 -1.770 -24.115 5.154 599 H SER 82 H SER 82 -0.600 -19.508 3.695 600 HA SER 82 HA SER 82 2.087 -19.807 4.745 601 HB2 SER 82 1HB SER 82 1.824 -18.145 2.262 602 HB3 SER 82 2HB SER 82 3.266 -18.877 2.966 603 HG SER 82 HG SER 82 2.845 -20.221 1.345 604 H HIS 83 H HIS 83 2.657 -18.134 6.019 605 HA HIS 83 HA HIS 83 0.696 -16.163 6.656 606 HB2 HIS 83 1HB HIS 83 2.075 -16.989 8.432 607 HB3 HIS 83 2HB HIS 83 3.548 -16.565 7.564 608 HD1 HIS 83 1HD HIS 83 4.317 -15.109 9.578 609 HD2 HIS 83 2HD HIS 83 0.784 -13.848 7.791 610 HE1 HIS 83 1HE HIS 83 3.903 -12.793 10.467 611 HE2 HIS 83 2HE HIS 83 1.716 -12.085 9.438 612 H TYR 84 H TYR 84 0.380 -14.266 5.711 613 HA TYR 84 HA TYR 84 2.582 -13.100 4.138 614 HB2 TYR 84 1HB TYR 84 -0.333 -13.351 3.628 615 HB3 TYR 84 2HB TYR 84 0.438 -11.857 3.106 616 HD1 TYR 84 1HD TYR 84 0.985 -15.553 2.928 617 HD2 TYR 84 2HD TYR 84 1.325 -11.787 0.976 618 HE1 TYR 84 1HE TYR 84 1.786 -16.685 0.897 619 HE2 TYR 84 2HE TYR 84 2.126 -12.909 -1.060 620 HH TYR 84 HH TYR 84 1.895 -15.252 -2.084 621 H VAL 85 H VAL 85 3.419 -11.302 4.938 622 HA VAL 85 HA VAL 85 2.001 -9.832 7.010 623 HB VAL 85 HB VAL 85 4.757 -9.261 5.923 624 HG11 VAL 85 1HG1 VAL 85 5.000 -8.377 8.317 625 HG12 VAL 85 2HG1 VAL 85 4.049 -7.420 7.179 626 HG13 VAL 85 3HG1 VAL 85 3.238 -8.433 8.375 627 HG21 VAL 85 3HG2 VAL 85 5.328 -10.511 8.186 628 HG22 VAL 85 1HG2 VAL 85 3.808 -11.332 7.830 629 HG23 VAL 85 2HG2 VAL 85 5.133 -11.387 6.667 630 H ILE 86 H ILE 86 0.728 -8.185 6.514 631 HA ILE 86 HA ILE 86 1.229 -6.700 4.026 632 HB ILE 86 HB ILE 86 -1.305 -6.724 5.666 633 HG12 ILE 86 1HG1 ILE 86 -1.061 -8.100 3.024 634 HG13 ILE 86 2HG1 ILE 86 -0.452 -8.918 4.458 635 HG21 ILE 86 1HG2 ILE 86 -0.397 -5.286 3.283 636 HG22 ILE 86 2HG2 ILE 86 -1.976 -6.050 3.113 637 HG23 ILE 86 3HG2 ILE 86 -1.690 -4.901 4.419 638 HD11 ILE 86 3HD1 ILE 86 -2.814 -8.312 5.416 639 HD12 ILE 86 1HD1 ILE 86 -3.240 -8.228 3.707 640 HD13 ILE 86 2HD1 ILE 86 -2.584 -9.720 4.379 641 H SER 87 H SER 87 1.900 -4.659 4.117 642 HA SER 87 HA SER 87 1.487 -3.144 6.606 643 HB2 SER 87 1HB SER 87 3.720 -2.293 6.551 644 HB3 SER 87 2HB SER 87 3.846 -4.042 6.366 645 HG SER 87 HG SER 87 4.031 -2.071 4.336 646 H LEU 88 H LEU 88 0.132 -1.557 6.092 647 HA LEU 88 HA LEU 88 0.433 -0.223 3.488 648 HB2 LEU 88 1HB LEU 88 -1.749 -0.984 3.596 649 HB3 LEU 88 2HB LEU 88 -1.884 -0.657 5.322 650 HG LEU 88 HG LEU 88 -1.716 1.845 4.540 651 HD11 LEU 88 1HD1 LEU 88 -2.592 0.385 2.064 652 HD12 LEU 88 2HD1 LEU 88 -1.290 1.561 2.236 653 HD13 LEU 88 3HD1 LEU 88 -2.971 2.082 2.361 654 HD21 LEU 88 3HD2 LEU 88 -3.626 0.641 5.662 655 HD22 LEU 88 1HD2 LEU 88 -4.265 0.323 4.049 656 HD23 LEU 88 2HD2 LEU 88 -4.080 1.985 4.613 657 H LYS 89 H LYS 89 0.892 1.905 3.362 658 HA LYS 89 HA LYS 89 0.740 3.563 5.760 659 HB2 LYS 89 1HB LYS 89 2.990 4.224 5.754 660 HB3 LYS 89 2HB LYS 89 3.055 2.480 5.533 661 HG2 LYS 89 1HG LYS 89 3.426 2.760 3.160 662 HG3 LYS 89 2HG LYS 89 3.264 4.510 3.318 663 HD2 LYS 89 1HD LYS 89 5.536 4.351 3.391 664 HD3 LYS 89 2HD LYS 89 5.190 4.143 5.109 665 HE2 LYS 89 1HE LYS 89 6.580 2.362 4.777 666 HE3 LYS 89 2HE LYS 89 5.033 1.602 4.407 667 HZ1 LYS 89 3HZ LYS 89 5.442 1.746 2.117 668 HZ2 LYS 89 1HZ LYS 89 6.902 1.208 2.782 669 HZ3 LYS 89 2HZ LYS 89 6.731 2.824 2.313 670 H ALA 90 H ALA 90 0.438 5.730 5.353 671 HA ALA 90 HA ALA 90 -0.458 6.395 2.694 672 HB1 ALA 90 3HB ALA 90 -1.728 7.157 4.621 673 HB2 ALA 90 1HB ALA 90 -0.334 8.073 5.197 674 HB3 ALA 90 2HB ALA 90 -1.130 8.532 3.691 675 H PHE 91 H PHE 91 0.360 8.028 1.364 676 HA PHE 91 HA PHE 91 2.957 9.175 2.079 677 HB2 PHE 91 1HB PHE 91 3.983 8.521 0.005 678 HB3 PHE 91 2HB PHE 91 3.335 7.073 0.768 679 HD1 PHE 91 1HD PHE 91 2.736 9.565 -1.892 680 HD2 PHE 91 2HD PHE 91 1.722 5.746 -0.311 681 HE1 PHE 91 1HE PHE 91 1.483 9.051 -3.946 682 HE2 PHE 91 2HE PHE 91 0.469 5.225 -2.363 683 HZ PHE 91 HZ PHE 91 0.349 6.878 -4.185 684 H ASN 92 H ASN 92 3.594 10.965 0.668 685 HA ASN 92 HA ASN 92 1.671 12.096 -1.134 686 HB2 ASN 92 1HB ASN 92 1.079 14.051 0.109 687 HB3 ASN 92 2HB ASN 92 0.754 12.667 1.148 688 HD21 ASN 92 1HD2 ASN 92 0.886 14.885 2.462 689 HD22 ASN 92 2HD2 ASN 92 2.391 15.096 3.283 690 H ASN 93 H ASN 93 2.421 14.598 -1.436 691 HA ASN 93 HA ASN 93 4.863 14.511 -2.735 692 HB2 ASN 93 1HB ASN 93 3.068 16.696 -1.802 693 HB3 ASN 93 2HB ASN 93 4.700 17.140 -2.290 694 HD21 ASN 93 1HD2 ASN 93 2.420 14.722 -3.519 695 HD22 ASN 93 2HD2 ASN 93 2.400 15.316 -5.142 696 H ALA 94 H ALA 94 4.250 14.700 0.598 697 HA ALA 94 HA ALA 94 6.797 15.945 1.251 698 HB1 ALA 94 3HB ALA 94 5.603 16.618 3.000 699 HB2 ALA 94 1HB ALA 94 4.299 15.493 2.620 700 HB3 ALA 94 2HB ALA 94 5.666 14.961 3.599 701 H GLY 95 H GLY 95 5.345 12.779 1.085 702 HA2 GLY 95 1HA GLY 95 7.266 11.101 0.700 703 HA3 GLY 95 2HA GLY 95 7.738 11.591 2.320 704 H GLU 96 H GLU 96 7.424 9.714 3.408 705 HA GLU 96 HA GLU 96 4.711 8.565 3.325 706 HB2 GLU 96 1HB GLU 96 7.221 7.142 4.210 707 HB3 GLU 96 2HB GLU 96 5.642 6.435 3.902 708 HG2 GLU 96 1HG GLU 96 5.856 6.688 1.583 709 HG3 GLU 96 2HG GLU 96 7.206 7.809 1.746 710 H GLY 97 H GLY 97 3.728 7.944 5.280 711 HA2 GLY 97 1HA GLY 97 4.904 9.245 7.659 712 HA3 GLY 97 2HA GLY 97 3.177 9.147 7.348 713 H VAL 98 H VAL 98 3.738 8.331 9.729 714 HA VAL 98 HA VAL 98 4.757 5.993 10.487 715 HB VAL 98 HB VAL 98 3.541 7.190 12.115 716 HG11 VAL 98 1HG1 VAL 98 1.823 8.374 11.267 717 HG12 VAL 98 2HG1 VAL 98 1.399 7.122 10.098 718 HG13 VAL 98 3HG1 VAL 98 0.867 6.981 11.775 719 HG21 VAL 98 3HG2 VAL 98 1.991 5.490 13.057 720 HG22 VAL 98 1HG2 VAL 98 2.127 4.588 11.547 721 HG23 VAL 98 2HG2 VAL 98 3.548 4.826 12.563 722 HA PRO 99 HA PRO 99 2.895 3.203 7.458 723 HB2 PRO 99 1HB PRO 99 4.683 1.205 7.884 724 HB3 PRO 99 2HB PRO 99 5.028 2.600 6.854 725 HG2 PRO 99 1HG PRO 99 5.830 2.097 9.694 726 HG3 PRO 99 2HG PRO 99 6.792 2.761 8.361 727 HD2 PRO 99 1HD PRO 99 5.665 4.323 10.264 728 HD3 PRO 99 2HD PRO 99 5.883 4.867 8.588 729 H LEU 100 H LEU 100 1.486 1.524 7.698 730 HA LEU 100 HA LEU 100 1.100 0.519 10.436 731 HB2 LEU 100 1HB LEU 100 -0.704 1.833 9.027 732 HB3 LEU 100 2HB LEU 100 -0.986 0.239 8.331 733 HG LEU 100 HG LEU 100 -1.229 -0.504 10.817 734 HD11 LEU 100 1HD1 LEU 100 -1.493 2.477 10.970 735 HD12 LEU 100 2HD1 LEU 100 -0.585 1.387 12.016 736 HD13 LEU 100 3HD1 LEU 100 -2.347 1.418 12.092 737 HD21 LEU 100 3HD2 LEU 100 -2.979 0.023 8.826 738 HD22 LEU 100 1HD2 LEU 100 -3.546 1.145 10.063 739 HD23 LEU 100 2HD2 LEU 100 -3.443 -0.580 10.418 740 H TYR 101 H TYR 101 1.538 -1.543 10.825 741 HA TYR 101 HA TYR 101 1.959 -3.347 8.557 742 HB2 TYR 101 1HB TYR 101 2.898 -3.331 11.408 743 HB3 TYR 101 2HB TYR 101 2.923 -4.824 10.476 744 HD1 TYR 101 1HD TYR 101 4.159 -1.317 10.471 745 HD2 TYR 101 2HD TYR 101 4.690 -5.276 9.004 746 HE1 TYR 101 1HE TYR 101 6.315 -0.658 9.488 747 HE2 TYR 101 2HE TYR 101 6.848 -4.627 8.018 748 HH TYR 101 HH TYR 101 7.890 -1.308 7.901 749 H GLU 102 H GLU 102 1.286 -5.637 8.846 750 HA GLU 102 HA GLU 102 -0.841 -6.237 10.669 751 HB2 GLU 102 1HB GLU 102 -1.772 -4.827 8.628 752 HB3 GLU 102 2HB GLU 102 -1.711 -6.386 7.819 753 HG2 GLU 102 1HG GLU 102 -3.900 -5.715 8.924 754 HG3 GLU 102 2HG GLU 102 -3.282 -7.332 9.255 755 H SER 103 H SER 103 -1.899 -8.418 9.964 756 HA SER 103 HA SER 103 0.076 -10.125 8.623 757 HB2 SER 103 1HB SER 103 -0.370 -11.857 10.441 758 HB3 SER 103 2HB SER 103 0.617 -10.473 10.911 759 HG SER 103 HG SER 103 -2.137 -10.257 11.266 760 H ALA 104 H ALA 104 -0.759 -11.986 7.649 761 HA ALA 104 HA ALA 104 -3.511 -12.726 7.889 762 HB1 ALA 104 3HB ALA 104 -2.819 -11.695 5.169 763 HB2 ALA 104 1HB ALA 104 -4.404 -11.971 5.893 764 HB3 ALA 104 2HB ALA 104 -3.425 -10.597 6.409 765 H THR 105 H THR 105 -3.351 -14.861 7.802 766 HA THR 105 HA THR 105 -1.319 -16.092 6.092 767 HB THR 105 HB THR 105 -3.058 -17.423 8.176 768 HG1 THR 105 1HG THR 105 -0.557 -17.280 8.984 769 HG21 THR 105 3HG2 THR 105 -0.480 -18.345 6.906 770 HG22 THR 105 1HG2 THR 105 -2.083 -18.899 6.426 771 HG23 THR 105 2HG2 THR 105 -1.480 -19.243 8.047 772 H THR 106 H THR 106 -1.995 -16.489 4.084 773 HA THR 106 HA THR 106 -4.512 -16.606 3.067 774 HB THR 106 HB THR 106 -3.581 -18.192 1.306 775 HG1 THR 106 1HG THR 106 -1.487 -18.809 1.478 776 HG21 THR 106 3HG2 THR 106 -2.184 -16.498 0.314 777 HG22 THR 106 1HG2 THR 106 -1.918 -15.739 1.883 778 HG23 THR 106 2HG2 THR 106 -3.521 -15.707 1.147 779 H ARG 107 H ARG 107 -5.668 -18.558 2.143 780 HA ARG 107 HA ARG 107 -6.153 -20.420 4.319 781 HB2 ARG 107 1HB ARG 107 -7.609 -20.474 1.698 782 HB3 ARG 107 2HB ARG 107 -8.195 -20.901 3.300 783 HG2 ARG 107 1HG ARG 107 -7.508 -18.091 2.478 784 HG3 ARG 107 2HG ARG 107 -9.126 -18.785 2.351 785 HD2 ARG 107 1HD ARG 107 -8.633 -19.391 4.894 786 HD3 ARG 107 2HD ARG 107 -7.574 -17.988 4.751 787 HE ARG 107 HE ARG 107 -10.226 -17.520 3.758 788 HH11 ARG 107 1HH1 ARG 107 -8.206 -17.552 6.593 789 HH12 ARG 107 2HH1 ARG 107 -9.195 -16.431 7.469 790 HH21 ARG 107 1HH2 ARG 107 -11.536 -16.045 4.901 791 HH22 ARG 107 2HH2 ARG 107 -11.090 -15.576 6.507 792 H SER 108 H SER 108 -6.628 -22.751 3.665 793 HA SER 108 HA SER 108 -4.320 -23.722 2.159 794 HB2 SER 108 1HB SER 108 -5.130 -24.513 4.552 795 HB3 SER 108 2HB SER 108 -6.184 -25.561 3.604 796 HG SER 108 HG SER 108 -4.500 -26.677 2.934 797 H ILE 109 H ILE 109 -4.487 -25.236 0.488 798 HA ILE 109 HA ILE 109 -6.747 -24.906 -1.214 799 HB ILE 109 HB ILE 109 -4.318 -26.679 -1.391 800 HG12 ILE 109 1HG1 ILE 109 -3.749 -24.419 -1.807 801 HG13 ILE 109 2HG1 ILE 109 -3.921 -25.150 -3.399 802 HG21 ILE 109 1HG2 ILE 109 -6.010 -27.913 -2.505 803 HG22 ILE 109 2HG2 ILE 109 -6.650 -26.464 -3.280 804 HG23 ILE 109 3HG2 ILE 109 -5.074 -27.096 -3.757 805 HD11 ILE 109 3HD1 ILE 109 -6.288 -24.241 -3.389 806 HD12 ILE 109 1HD1 ILE 109 -5.797 -23.283 -1.993 807 HD13 ILE 109 2HD1 ILE 109 -4.979 -23.069 -3.541 808 H THR 110 H THR 110 -5.586 -27.505 0.870 809 HA THR 110 HA THR 110 -7.683 -29.316 0.060 810 HB THR 110 HB THR 110 -5.535 -30.251 0.710 811 HG1 THR 110 1HG THR 110 -6.482 -31.898 1.685 812 HG21 THR 110 3HG2 THR 110 -4.824 -28.558 2.308 813 HG22 THR 110 1HG2 THR 110 -4.775 -30.155 3.052 814 HG23 THR 110 2HG2 THR 110 -6.097 -29.050 3.424 815 H SER 111 H SER 111 -6.988 -27.212 2.804 816 HA SER 111 HA SER 111 -9.683 -27.794 3.849 817 HB2 SER 111 1HB SER 111 -7.282 -26.815 5.412 818 HB3 SER 111 2HB SER 111 -8.863 -27.231 6.072 819 HG SER 111 HG SER 111 -6.808 -28.834 5.685 820 H GLY 112 H GLY 112 -11.089 -26.187 3.664 821 HA2 GLY 112 1HA GLY 112 -10.204 -23.430 4.029 822 HA3 GLY 112 2HA GLY 112 -10.908 -23.828 2.468 823 HA PRO 113 HA PRO 113 -14.875 -22.918 4.103 824 HB2 PRO 113 1HB PRO 113 -16.424 -24.450 2.482 825 HB3 PRO 113 2HB PRO 113 -15.631 -22.968 1.933 826 HG2 PRO 113 1HG PRO 113 -14.786 -25.817 1.567 827 HG3 PRO 113 2HG PRO 113 -14.766 -24.484 0.397 828 HD2 PRO 113 1HD PRO 113 -12.545 -25.299 1.715 829 HD3 PRO 113 2HD PRO 113 -12.806 -23.609 1.237 830 H SER 114 H SER 114 -13.541 -26.063 4.194 831 HA SER 114 HA SER 114 -15.717 -27.459 5.365 832 HB2 SER 114 1HB SER 114 -13.617 -28.441 4.258 833 HB3 SER 114 2HB SER 114 -12.812 -28.142 5.798 834 HG SER 114 HG SER 114 -15.232 -29.594 5.616 835 H SER 115 H SER 115 -16.288 -25.651 6.866 836 HA SER 115 HA SER 115 -14.640 -25.094 9.117 837 HB2 SER 115 1HB SER 115 -16.406 -23.551 8.301 838 HB3 SER 115 2HB SER 115 -17.629 -24.709 8.824 839 HG SER 115 HG SER 115 -16.623 -22.819 10.262 840 H GLY 116 H GLY 116 -15.260 -25.564 11.375 841 HA2 GLY 116 1HA GLY 116 -16.681 -28.123 11.680 842 HA3 GLY 116 2HA GLY 116 -15.060 -27.949 12.335 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.954 41.198 -9.337 2 HA2 GLY 1 1HA GLY 1 5.732 38.946 -10.314 3 HA3 GLY 1 2HA GLY 1 6.014 39.192 -8.597 4 H SER 2 H SER 2 5.309 37.651 -7.286 5 HA SER 2 HA SER 2 2.813 36.299 -7.719 6 HB2 SER 2 1HB SER 2 4.148 34.984 -9.249 7 HB3 SER 2 2HB SER 2 5.409 34.774 -8.033 8 HG SER 2 HG SER 2 3.560 33.104 -8.445 9 H SER 3 H SER 3 1.972 36.140 -5.760 10 HA SER 3 HA SER 3 3.691 36.184 -3.422 11 HB2 SER 3 1HB SER 3 1.617 37.592 -3.597 12 HB3 SER 3 2HB SER 3 0.668 36.108 -3.522 13 HG SER 3 HG SER 3 1.908 35.731 -1.491 14 H GLY 4 H GLY 4 1.072 34.117 -4.679 15 HA2 GLY 4 1HA GLY 4 2.342 31.694 -4.084 16 HA3 GLY 4 2HA GLY 4 1.317 32.108 -2.718 17 H SER 5 H SER 5 1.243 31.731 -6.249 18 HA SER 5 HA SER 5 -1.523 30.749 -5.981 19 HB2 SER 5 1HB SER 5 -0.289 32.615 -7.947 20 HB3 SER 5 2HB SER 5 -1.511 31.494 -8.547 21 HG SER 5 HG SER 5 -1.857 33.235 -6.332 22 H SER 6 H SER 6 0.631 29.037 -5.670 23 HA SER 6 HA SER 6 1.014 27.675 -8.219 24 HB2 SER 6 1HB SER 6 2.127 26.992 -5.487 25 HB3 SER 6 2HB SER 6 2.623 26.283 -7.024 26 HG SER 6 HG SER 6 4.064 27.909 -6.456 27 H GLY 7 H GLY 7 -1.631 27.682 -7.296 28 HA2 GLY 7 1HA GLY 7 -3.147 25.837 -7.635 29 HA3 GLY 7 2HA GLY 7 -1.998 24.800 -6.804 30 HA PRO 8 HA PRO 8 -5.200 26.994 -3.910 31 HB2 PRO 8 1HB PRO 8 -7.440 25.494 -4.231 32 HB3 PRO 8 2HB PRO 8 -7.132 26.970 -5.154 33 HG2 PRO 8 1HG PRO 8 -6.733 24.114 -5.959 34 HG3 PRO 8 2HG PRO 8 -7.418 25.455 -6.895 35 HD2 PRO 8 1HD PRO 8 -4.869 24.603 -7.222 36 HD3 PRO 8 2HD PRO 8 -5.344 26.300 -7.441 37 H GLU 9 H GLU 9 -6.708 25.610 -2.265 38 HA GLU 9 HA GLU 9 -5.840 22.957 -1.717 39 HB2 GLU 9 1HB GLU 9 -4.466 23.276 0.175 40 HB3 GLU 9 2HB GLU 9 -3.841 24.379 -1.043 41 HG2 GLU 9 1HG GLU 9 -5.481 26.067 0.142 42 HG3 GLU 9 2HG GLU 9 -5.262 24.960 1.496 43 H ASN 10 H ASN 10 -7.117 21.961 -0.195 44 HA ASN 10 HA ASN 10 -9.492 23.413 0.589 45 HB2 ASN 10 1HB ASN 10 -9.217 20.910 -0.262 46 HB3 ASN 10 2HB ASN 10 -9.009 20.600 1.459 47 HD21 ASN 10 1HD2 ASN 10 -11.206 20.959 -1.019 48 HD22 ASN 10 2HD2 ASN 10 -12.644 21.132 -0.077 49 H ASP 11 H ASP 11 -6.815 23.934 1.843 50 HA ASP 11 HA ASP 11 -6.125 24.651 3.899 51 HB2 ASP 11 1HB ASP 11 -8.700 23.608 5.071 52 HB3 ASP 11 2HB ASP 11 -7.663 24.890 5.690 53 H LEU 12 H LEU 12 -5.228 22.253 2.982 54 HA LEU 12 HA LEU 12 -5.324 20.458 5.310 55 HB2 LEU 12 1HB LEU 12 -4.293 19.839 2.549 56 HB3 LEU 12 2HB LEU 12 -4.586 18.698 3.860 57 HG LEU 12 HG LEU 12 -6.890 20.272 2.822 58 HD11 LEU 12 1HD1 LEU 12 -5.872 19.576 0.766 59 HD12 LEU 12 2HD1 LEU 12 -7.257 18.533 1.087 60 HD13 LEU 12 3HD1 LEU 12 -5.622 17.945 1.388 61 HD21 LEU 12 3HD2 LEU 12 -7.559 17.610 3.132 62 HD22 LEU 12 1HD2 LEU 12 -7.836 18.901 4.302 63 HD23 LEU 12 2HD2 LEU 12 -6.389 17.900 4.420 64 H ASP 13 H ASP 13 -3.105 19.080 5.266 65 HA ASP 13 HA ASP 13 -0.902 21.037 5.232 66 HB2 ASP 13 1HB ASP 13 -1.677 20.559 7.545 67 HB3 ASP 13 2HB ASP 13 -1.315 18.855 7.287 68 H GLU 14 H GLU 14 -0.242 20.261 3.191 69 HA GLU 14 HA GLU 14 0.355 17.490 2.773 70 HB2 GLU 14 1HB GLU 14 -0.282 19.142 0.971 71 HB3 GLU 14 2HB GLU 14 1.325 19.835 1.140 72 HG2 GLU 14 1HG GLU 14 2.362 17.846 0.384 73 HG3 GLU 14 2HG GLU 14 0.854 16.940 0.496 74 H SER 15 H SER 15 2.188 20.366 3.636 75 HA SER 15 HA SER 15 4.775 19.606 3.265 76 HB2 SER 15 1HB SER 15 4.040 21.781 4.234 77 HB3 SER 15 2HB SER 15 3.745 20.963 5.769 78 HG SER 15 HG SER 15 6.235 21.168 4.418 79 H GLN 16 H GLN 16 2.501 18.237 5.473 80 HA GLN 16 HA GLN 16 4.632 16.622 6.706 81 HB2 GLN 16 1HB GLN 16 3.280 16.351 8.619 82 HB3 GLN 16 2HB GLN 16 3.128 18.048 8.186 83 HG2 GLN 16 1HG GLN 16 0.961 17.766 7.364 84 HG3 GLN 16 2HG GLN 16 1.134 16.015 7.263 85 HE21 GLN 16 1HE2 GLN 16 0.030 18.596 9.105 86 HE22 GLN 16 2HE2 GLN 16 -0.311 17.741 10.566 87 H VAL 17 H VAL 17 4.505 14.407 6.697 88 HA VAL 17 HA VAL 17 3.086 13.194 4.566 89 HB VAL 17 HB VAL 17 3.924 11.051 5.491 90 HG11 VAL 17 1HG1 VAL 17 5.706 13.379 4.971 91 HG12 VAL 17 2HG1 VAL 17 6.430 11.853 5.482 92 HG13 VAL 17 3HG1 VAL 17 5.449 11.918 4.017 93 HG21 VAL 17 3HG2 VAL 17 3.916 11.255 7.800 94 HG22 VAL 17 1HG2 VAL 17 5.632 11.385 7.413 95 HG23 VAL 17 2HG2 VAL 17 4.695 12.837 7.766 96 HA PRO 18 HA PRO 18 -0.765 12.152 6.412 97 HB2 PRO 18 1HB PRO 18 -1.365 9.894 5.029 98 HB3 PRO 18 2HB PRO 18 -1.441 11.508 4.312 99 HG2 PRO 18 1HG PRO 18 0.717 9.444 4.107 100 HG3 PRO 18 2HG PRO 18 0.035 10.480 2.839 101 HD2 PRO 18 1HD PRO 18 2.393 11.026 4.054 102 HD3 PRO 18 2HD PRO 18 1.304 12.299 3.467 103 H ASP 19 H ASP 19 -1.371 11.136 8.224 104 HA ASP 19 HA ASP 19 0.368 9.285 9.507 105 HB2 ASP 19 1HB ASP 19 -2.267 10.534 10.145 106 HB3 ASP 19 2HB ASP 19 -1.779 9.107 11.055 107 H GLN 20 H GLN 20 -0.499 7.196 10.448 108 HA GLN 20 HA GLN 20 -1.189 5.453 8.335 109 HB2 GLN 20 1HB GLN 20 -1.113 3.703 9.942 110 HB3 GLN 20 2HB GLN 20 0.128 4.860 10.403 111 HG2 GLN 20 1HG GLN 20 -1.743 5.831 11.933 112 HG3 GLN 20 2HG GLN 20 -2.467 4.237 11.727 113 HE21 GLN 20 1HE2 GLN 20 0.419 3.246 11.418 114 HE22 GLN 20 2HE2 GLN 20 0.954 3.064 13.050 115 HA PRO 21 HA PRO 21 -5.576 5.435 8.316 116 HB2 PRO 21 1HB PRO 21 -6.114 2.823 7.810 117 HB3 PRO 21 2HB PRO 21 -5.453 3.921 6.593 118 HG2 PRO 21 1HG PRO 21 -4.038 1.903 8.293 119 HG3 PRO 21 2HG PRO 21 -3.825 2.260 6.569 120 HD2 PRO 21 1HD PRO 21 -2.143 3.202 8.471 121 HD3 PRO 21 2HD PRO 21 -2.505 4.104 6.985 122 H SER 22 H SER 22 -6.914 5.615 9.990 123 HA SER 22 HA SER 22 -6.674 4.919 12.532 124 HB2 SER 22 1HB SER 22 -8.980 5.164 12.822 125 HB3 SER 22 2HB SER 22 -8.695 6.009 11.301 126 HG SER 22 HG SER 22 -9.735 4.486 10.240 127 H SER 23 H SER 23 -7.697 2.686 10.005 128 HA SER 23 HA SER 23 -6.832 0.436 11.573 129 HB2 SER 23 1HB SER 23 -9.737 0.469 10.751 130 HB3 SER 23 2HB SER 23 -8.913 -0.709 11.772 131 HG SER 23 HG SER 23 -10.012 1.708 12.426 132 H LEU 24 H LEU 24 -6.425 -1.373 10.333 133 HA LEU 24 HA LEU 24 -7.066 -1.177 7.467 134 HB2 LEU 24 1HB LEU 24 -4.825 -0.604 7.454 135 HB3 LEU 24 2HB LEU 24 -4.440 -1.673 8.801 136 HG LEU 24 HG LEU 24 -4.828 -3.603 7.212 137 HD11 LEU 24 1HD1 LEU 24 -4.504 -1.522 5.070 138 HD12 LEU 24 2HD1 LEU 24 -6.080 -2.143 5.561 139 HD13 LEU 24 3HD1 LEU 24 -4.871 -3.237 4.888 140 HD21 LEU 24 3HD2 LEU 24 -2.607 -2.588 5.874 141 HD22 LEU 24 1HD2 LEU 24 -2.610 -3.554 7.350 142 HD23 LEU 24 2HD2 LEU 24 -2.591 -1.793 7.450 143 H HIS 25 H HIS 25 -8.606 -2.719 7.328 144 HA HIS 25 HA HIS 25 -8.333 -5.248 8.699 145 HB2 HIS 25 1HB HIS 25 -10.548 -4.265 8.495 146 HB3 HIS 25 2HB HIS 25 -10.409 -4.249 6.739 147 HD1 HIS 25 1HD HIS 25 -12.230 -5.852 6.119 148 HD2 HIS 25 2HD HIS 25 -9.669 -7.392 9.005 149 HE1 HIS 25 1HE HIS 25 -12.892 -8.263 6.388 150 HE2 HIS 25 2HE HIS 25 -11.386 -9.152 8.200 151 H VAL 26 H VAL 26 -7.848 -7.209 7.812 152 HA VAL 26 HA VAL 26 -7.337 -7.358 4.932 153 HB VAL 26 HB VAL 26 -5.185 -8.464 5.266 154 HG11 VAL 26 1HG1 VAL 26 -4.391 -6.414 4.945 155 HG12 VAL 26 2HG1 VAL 26 -5.741 -5.699 5.828 156 HG13 VAL 26 3HG1 VAL 26 -4.298 -6.227 6.695 157 HG21 VAL 26 3HG2 VAL 26 -5.889 -8.104 8.141 158 HG22 VAL 26 1HG2 VAL 26 -5.175 -9.492 7.319 159 HG23 VAL 26 2HG2 VAL 26 -4.191 -8.069 7.664 160 H ARG 27 H ARG 27 -8.011 -9.217 4.053 161 HA ARG 27 HA ARG 27 -8.633 -11.453 5.871 162 HB2 ARG 27 1HB ARG 27 -10.195 -10.247 3.628 163 HB3 ARG 27 2HB ARG 27 -10.350 -11.972 3.932 164 HG2 ARG 27 1HG ARG 27 -10.871 -11.347 6.338 165 HG3 ARG 27 2HG ARG 27 -11.043 -9.691 5.752 166 HD2 ARG 27 1HD ARG 27 -12.498 -11.840 4.308 167 HD3 ARG 27 2HD ARG 27 -13.100 -11.359 5.893 168 HE ARG 27 HE ARG 27 -12.620 -9.098 4.239 169 HH11 ARG 27 1HH1 ARG 27 -14.866 -11.697 4.807 170 HH12 ARG 27 2HH1 ARG 27 -16.228 -10.832 4.176 171 HH21 ARG 27 1HH2 ARG 27 -14.405 -7.949 3.405 172 HH22 ARG 27 2HH2 ARG 27 -15.964 -8.700 3.378 173 HA PRO 28 HA PRO 28 -5.561 -13.334 3.160 174 HB2 PRO 28 1HB PRO 28 -5.188 -15.515 4.734 175 HB3 PRO 28 2HB PRO 28 -4.429 -13.952 5.061 176 HG2 PRO 28 1HG PRO 28 -6.878 -15.161 6.285 177 HG3 PRO 28 2HG PRO 28 -5.551 -14.287 7.070 178 HD2 PRO 28 1HD PRO 28 -7.927 -13.121 6.500 179 HD3 PRO 28 2HD PRO 28 -6.394 -12.224 6.484 180 H GLN 29 H GLN 29 -6.606 -14.050 1.370 181 HA GLN 29 HA GLN 29 -8.601 -16.165 1.610 182 HB2 GLN 29 1HB GLN 29 -7.714 -14.851 -0.948 183 HB3 GLN 29 2HB GLN 29 -9.236 -15.666 -0.611 184 HG2 GLN 29 1HG GLN 29 -8.427 -13.148 0.803 185 HG3 GLN 29 2HG GLN 29 -9.271 -13.133 -0.745 186 HE21 GLN 29 1HE2 GLN 29 -10.825 -11.921 0.634 187 HE22 GLN 29 2HE2 GLN 29 -12.030 -12.833 1.471 188 H THR 30 H THR 30 -8.477 -17.792 -0.336 189 HA THR 30 HA THR 30 -6.448 -19.580 0.127 190 HB THR 30 HB THR 30 -7.510 -19.460 -2.656 191 HG1 THR 30 1HG THR 30 -9.071 -19.827 -0.311 192 HG21 THR 30 3HG2 THR 30 -6.900 -21.552 -0.602 193 HG22 THR 30 1HG2 THR 30 -6.317 -21.413 -2.260 194 HG23 THR 30 2HG2 THR 30 -7.978 -21.918 -1.948 195 H ASN 31 H ASN 31 -6.655 -17.722 -2.912 196 HA ASN 31 HA ASN 31 -3.709 -17.638 -2.940 197 HB2 ASN 31 1HB ASN 31 -5.646 -17.838 -5.253 198 HB3 ASN 31 2HB ASN 31 -3.920 -17.543 -5.438 199 HD21 ASN 31 1HD2 ASN 31 -2.731 -19.201 -3.757 200 HD22 ASN 31 2HD2 ASN 31 -3.118 -20.848 -4.107 201 H CYS 32 H CYS 32 -5.843 -15.726 -1.920 202 HA CYS 32 HA CYS 32 -4.636 -13.341 -3.056 203 HB2 CYS 32 1HB CYS 32 -7.626 -13.361 -2.882 204 HB3 CYS 32 2HB CYS 32 -6.573 -12.331 -3.846 205 HG CYS 32 HG CYS 32 -8.257 -14.853 -4.858 206 H ILE 33 H ILE 33 -5.593 -11.338 -1.878 207 HA ILE 33 HA ILE 33 -6.550 -11.839 0.798 208 HB ILE 33 HB ILE 33 -3.844 -10.544 0.471 209 HG12 ILE 33 1HG1 ILE 33 -4.587 -13.316 1.423 210 HG13 ILE 33 2HG1 ILE 33 -3.618 -12.908 0.011 211 HG21 ILE 33 1HG2 ILE 33 -4.699 -11.519 3.095 212 HG22 ILE 33 2HG2 ILE 33 -3.934 -9.997 2.642 213 HG23 ILE 33 3HG2 ILE 33 -5.676 -10.197 2.457 214 HD11 ILE 33 3HD1 ILE 33 -2.331 -11.691 2.162 215 HD12 ILE 33 1HD1 ILE 33 -2.810 -13.287 2.739 216 HD13 ILE 33 2HD1 ILE 33 -1.825 -13.134 1.283 217 H ILE 34 H ILE 34 -8.166 -10.405 0.763 218 HA ILE 34 HA ILE 34 -7.836 -7.810 -0.492 219 HB ILE 34 HB ILE 34 -10.190 -9.128 0.853 220 HG12 ILE 34 1HG1 ILE 34 -11.135 -8.969 -1.462 221 HG13 ILE 34 2HG1 ILE 34 -9.572 -8.377 -2.011 222 HG21 ILE 34 1HG2 ILE 34 -11.011 -7.094 1.236 223 HG22 ILE 34 2HG2 ILE 34 -9.703 -6.322 0.342 224 HG23 ILE 34 3HG2 ILE 34 -11.130 -6.906 -0.513 225 HD11 ILE 34 3HD1 ILE 34 -8.571 -10.419 -1.797 226 HD12 ILE 34 1HD1 ILE 34 -9.691 -10.961 -0.547 227 HD13 ILE 34 2HD1 ILE 34 -10.211 -10.899 -2.232 228 H MET 35 H MET 35 -7.508 -5.923 0.526 229 HA MET 35 HA MET 35 -7.692 -5.877 3.463 230 HB2 MET 35 1HB MET 35 -5.703 -4.170 3.187 231 HB3 MET 35 2HB MET 35 -5.402 -5.901 3.275 232 HG2 MET 35 1HG MET 35 -5.179 -6.036 0.887 233 HG3 MET 35 2HG MET 35 -5.641 -4.345 0.713 234 HE1 MET 35 3HE MET 35 -3.866 -2.276 1.078 235 HE2 MET 35 1HE MET 35 -4.337 -2.747 2.711 236 HE3 MET 35 2HE MET 35 -2.637 -2.478 2.327 237 H SER 36 H SER 36 -8.764 -4.191 4.301 238 HA SER 36 HA SER 36 -9.340 -1.902 2.536 239 HB2 SER 36 1HB SER 36 -11.591 -1.774 3.519 240 HB3 SER 36 2HB SER 36 -11.331 -3.333 2.737 241 HG SER 36 HG SER 36 -11.529 -2.711 5.461 242 H TRP 37 H TRP 37 -8.443 -0.128 3.327 243 HA TRP 37 HA TRP 37 -8.218 0.158 6.250 244 HB2 TRP 37 1HB TRP 37 -6.327 1.682 5.806 245 HB3 TRP 37 2HB TRP 37 -6.044 0.073 5.147 246 HD1 TRP 37 HD TRP 37 -6.287 3.690 4.146 247 HE1 TRP 37 1HE TRP 37 -5.847 3.917 1.620 248 HE3 TRP 37 3HE TRP 37 -6.433 -1.253 2.850 249 HZ2 TRP 37 2HZ TRP 37 -5.596 2.225 -0.625 250 HZ3 TRP 37 3HZ TRP 37 -6.084 -1.865 0.493 251 HH2 TRP 37 HH TRP 37 -5.675 -0.161 -1.207 252 H THR 38 H THR 38 -7.910 2.673 6.747 253 HA THR 38 HA THR 38 -10.023 4.144 5.319 254 HB THR 38 HB THR 38 -10.286 5.166 7.810 255 HG1 THR 38 1HG THR 38 -10.461 3.007 9.043 256 HG21 THR 38 3HG2 THR 38 -12.170 3.323 7.999 257 HG22 THR 38 1HG2 THR 38 -11.694 2.994 6.334 258 HG23 THR 38 2HG2 THR 38 -12.262 4.601 6.788 259 HA PRO 39 HA PRO 39 -7.353 7.625 5.223 260 HB2 PRO 39 1HB PRO 39 -9.018 9.698 5.771 261 HB3 PRO 39 2HB PRO 39 -9.060 8.810 4.244 262 HG2 PRO 39 1HG PRO 39 -10.817 8.522 6.650 263 HG3 PRO 39 2HG PRO 39 -11.263 8.532 4.934 264 HD2 PRO 39 1HD PRO 39 -11.039 6.246 6.367 265 HD3 PRO 39 2HD PRO 39 -10.661 6.328 4.635 266 HA PRO 40 HA PRO 40 -5.873 8.862 9.175 267 HB2 PRO 40 1HB PRO 40 -5.092 11.430 8.763 268 HB3 PRO 40 2HB PRO 40 -4.221 10.043 8.099 269 HG2 PRO 40 1HG PRO 40 -6.199 11.852 6.767 270 HG3 PRO 40 2HG PRO 40 -4.666 11.217 6.142 271 HD2 PRO 40 1HD PRO 40 -7.064 10.154 5.472 272 HD3 PRO 40 2HD PRO 40 -5.588 9.176 5.598 273 H LEU 41 H LEU 41 -6.815 9.443 11.030 274 HA LEU 41 HA LEU 41 -9.340 10.433 11.308 275 HB2 LEU 41 1HB LEU 41 -6.974 10.644 13.147 276 HB3 LEU 41 2HB LEU 41 -8.582 11.192 13.616 277 HG LEU 41 HG LEU 41 -8.034 8.367 12.738 278 HD11 LEU 41 1HD1 LEU 41 -8.286 8.131 15.391 279 HD12 LEU 41 2HD1 LEU 41 -7.470 9.692 15.316 280 HD13 LEU 41 3HD1 LEU 41 -6.727 8.273 14.578 281 HD21 LEU 41 3HD2 LEU 41 -10.093 8.449 14.581 282 HD22 LEU 41 1HD2 LEU 41 -10.259 8.303 12.832 283 HD23 LEU 41 2HD2 LEU 41 -10.350 9.890 13.597 284 H ASN 42 H ASN 42 -6.516 12.192 10.480 285 HA ASN 42 HA ASN 42 -7.843 14.754 11.029 286 HB2 ASN 42 1HB ASN 42 -5.330 14.062 11.659 287 HB3 ASN 42 2HB ASN 42 -5.043 14.677 10.034 288 HD21 ASN 42 1HD2 ASN 42 -5.100 16.827 9.665 289 HD22 ASN 42 2HD2 ASN 42 -5.367 18.013 10.893 290 HA PRO 43 HA PRO 43 -8.697 14.479 6.584 291 HB2 PRO 43 1HB PRO 43 -10.681 16.331 6.642 292 HB3 PRO 43 2HB PRO 43 -10.932 14.639 7.088 293 HG2 PRO 43 1HG PRO 43 -10.499 17.019 8.851 294 HG3 PRO 43 2HG PRO 43 -11.651 15.684 9.037 295 HD2 PRO 43 1HD PRO 43 -9.321 15.801 10.413 296 HD3 PRO 43 2HD PRO 43 -10.058 14.265 9.911 297 H ASN 44 H ASN 44 -7.257 16.776 8.506 298 HA ASN 44 HA ASN 44 -7.183 18.875 6.487 299 HB2 ASN 44 1HB ASN 44 -5.820 18.777 9.186 300 HB3 ASN 44 2HB ASN 44 -6.002 20.191 8.153 301 HD21 ASN 44 1HD2 ASN 44 -7.808 17.782 9.983 302 HD22 ASN 44 2HD2 ASN 44 -9.159 18.801 10.335 303 H ILE 45 H ILE 45 -5.761 16.064 6.578 304 HA ILE 45 HA ILE 45 -3.085 17.067 5.859 305 HB ILE 45 HB ILE 45 -3.835 14.253 6.659 306 HG12 ILE 45 1HG1 ILE 45 -4.064 15.666 8.590 307 HG13 ILE 45 2HG1 ILE 45 -2.542 14.795 8.741 308 HG21 ILE 45 1HG2 ILE 45 -1.155 14.479 7.010 309 HG22 ILE 45 2HG2 ILE 45 -1.921 13.821 5.566 310 HG23 ILE 45 3HG2 ILE 45 -1.403 15.506 5.598 311 HD11 ILE 45 3HD1 ILE 45 -1.357 16.791 7.922 312 HD12 ILE 45 1HD1 ILE 45 -2.894 17.654 7.875 313 HD13 ILE 45 2HD1 ILE 45 -2.250 17.083 9.415 314 H VAL 46 H VAL 46 -2.308 16.723 3.856 315 HA VAL 46 HA VAL 46 -4.099 15.833 1.812 316 HB VAL 46 HB VAL 46 -1.159 16.509 1.626 317 HG11 VAL 46 1HG1 VAL 46 -3.242 16.275 -0.543 318 HG12 VAL 46 2HG1 VAL 46 -1.562 16.769 -0.763 319 HG13 VAL 46 3HG1 VAL 46 -1.939 15.127 -0.239 320 HG21 VAL 46 3HG2 VAL 46 -3.635 18.141 1.621 321 HG22 VAL 46 1HG2 VAL 46 -2.021 18.530 2.216 322 HG23 VAL 46 2HG2 VAL 46 -2.363 18.592 0.487 323 H VAL 47 H VAL 47 -4.020 13.998 0.563 324 HA VAL 47 HA VAL 47 -2.036 11.950 1.271 325 HB VAL 47 HB VAL 47 -5.011 11.469 1.056 326 HG11 VAL 47 1HG1 VAL 47 -4.654 9.230 1.032 327 HG12 VAL 47 2HG1 VAL 47 -3.160 9.725 0.235 328 HG13 VAL 47 3HG1 VAL 47 -3.158 9.346 1.958 329 HG21 VAL 47 3HG2 VAL 47 -3.240 10.997 3.440 330 HG22 VAL 47 1HG2 VAL 47 -4.102 12.513 3.182 331 HG23 VAL 47 2HG2 VAL 47 -5.002 11.008 3.371 332 H ARG 48 H ARG 48 -1.026 11.287 -0.497 333 HA ARG 48 HA ARG 48 -2.281 11.685 -3.104 334 HB2 ARG 48 1HB ARG 48 0.553 10.938 -2.363 335 HB3 ARG 48 2HB ARG 48 -0.023 11.204 -4.003 336 HG2 ARG 48 1HG ARG 48 0.107 13.240 -1.790 337 HG3 ARG 48 2HG ARG 48 1.137 13.160 -3.221 338 HD2 ARG 48 1HD ARG 48 -1.145 13.282 -4.497 339 HD3 ARG 48 2HD ARG 48 -1.727 13.967 -2.980 340 HE ARG 48 HE ARG 48 0.441 15.458 -3.447 341 HH11 ARG 48 1HH1 ARG 48 -2.192 14.512 -5.518 342 HH12 ARG 48 2HH1 ARG 48 -2.115 15.944 -6.490 343 HH21 ARG 48 1HH2 ARG 48 0.554 17.348 -4.719 344 HH22 ARG 48 2HH2 ARG 48 -0.552 17.556 -6.035 345 H GLY 49 H GLY 49 -1.675 9.212 -0.847 346 HA2 GLY 49 1HA GLY 49 -3.112 7.219 -1.938 347 HA3 GLY 49 2HA GLY 49 -1.584 7.064 -2.792 348 H TYR 50 H TYR 50 -1.569 4.918 -1.785 349 HA TYR 50 HA TYR 50 -0.175 5.032 0.776 350 HB2 TYR 50 1HB TYR 50 -2.198 2.864 0.494 351 HB3 TYR 50 2HB TYR 50 -1.590 3.652 1.946 352 HD1 TYR 50 2HD TYR 50 -3.832 4.139 -0.973 353 HD2 TYR 50 1HD TYR 50 -2.791 5.403 2.954 354 HE1 TYR 50 2HE TYR 50 -5.853 5.537 -0.893 355 HE2 TYR 50 1HE TYR 50 -4.810 6.804 3.045 356 HH TYR 50 HH TYR 50 -6.353 7.947 0.924 357 H ILE 51 H ILE 51 1.367 3.464 1.035 358 HA ILE 51 HA ILE 51 1.972 1.885 -1.345 359 HB ILE 51 HB ILE 51 3.642 2.404 1.117 360 HG12 ILE 51 1HG1 ILE 51 4.139 3.464 -1.655 361 HG13 ILE 51 2HG1 ILE 51 3.106 4.326 -0.521 362 HG21 ILE 51 1HG2 ILE 51 4.867 0.675 0.444 363 HG22 ILE 51 2HG2 ILE 51 3.911 0.495 -1.026 364 HG23 ILE 51 3HG2 ILE 51 5.277 1.610 -0.995 365 HD11 ILE 51 3HD1 ILE 51 5.204 5.316 -0.302 366 HD12 ILE 51 1HD1 ILE 51 5.081 4.231 1.082 367 HD13 ILE 51 2HD1 ILE 51 6.039 3.763 -0.323 368 H ILE 52 H ILE 52 1.113 -0.083 -1.415 369 HA ILE 52 HA ILE 52 0.560 -1.551 1.031 370 HB ILE 52 HB ILE 52 -0.036 -2.143 -1.864 371 HG12 ILE 52 1HG1 ILE 52 -1.926 -1.696 0.448 372 HG13 ILE 52 2HG1 ILE 52 -1.371 -0.397 -0.601 373 HG21 ILE 52 1HG2 ILE 52 0.182 -3.973 0.331 374 HG22 ILE 52 2HG2 ILE 52 -1.491 -3.890 -0.220 375 HG23 ILE 52 3HG2 ILE 52 -0.207 -4.298 -1.358 376 HD11 ILE 52 3HD1 ILE 52 -3.625 -1.837 -0.986 377 HD12 ILE 52 1HD1 ILE 52 -2.748 -0.989 -2.260 378 HD13 ILE 52 2HD1 ILE 52 -2.483 -2.714 -2.005 379 H GLY 53 H GLY 53 2.402 -2.366 1.895 380 HA2 GLY 53 1HA GLY 53 4.227 -3.845 0.122 381 HA3 GLY 53 2HA GLY 53 4.631 -3.235 1.720 382 H TYR 54 H TYR 54 3.254 -5.832 -0.091 383 HA TYR 54 HA TYR 54 2.816 -7.340 2.402 384 HB2 TYR 54 1HB TYR 54 1.265 -8.748 1.157 385 HB3 TYR 54 2HB TYR 54 0.792 -7.058 1.015 386 HD1 TYR 54 1HD TYR 54 1.583 -5.812 -1.114 387 HD2 TYR 54 2HD TYR 54 1.498 -10.050 -0.756 388 HE1 TYR 54 1HE TYR 54 1.585 -6.013 -3.566 389 HE2 TYR 54 2HE TYR 54 1.501 -10.263 -3.207 390 HH TYR 54 HH TYR 54 0.692 -8.600 -5.198 391 H GLY 55 H GLY 55 3.245 -9.705 2.228 392 HA2 GLY 55 1HA GLY 55 4.653 -11.033 0.313 393 HA3 GLY 55 2HA GLY 55 5.887 -10.106 1.154 394 H VAL 56 H VAL 56 5.095 -13.072 0.942 395 HA VAL 56 HA VAL 56 4.303 -13.940 3.508 396 HB VAL 56 HB VAL 56 4.209 -15.358 1.471 397 HG11 VAL 56 1HG1 VAL 56 6.121 -16.342 0.516 398 HG12 VAL 56 2HG1 VAL 56 6.524 -14.634 0.702 399 HG13 VAL 56 3HG1 VAL 56 7.155 -15.820 1.845 400 HG21 VAL 56 3HG2 VAL 56 5.483 -17.363 2.740 401 HG22 VAL 56 1HG2 VAL 56 5.355 -16.196 4.056 402 HG23 VAL 56 2HG2 VAL 56 3.902 -16.750 3.224 403 H GLY 57 H GLY 57 5.378 -13.850 5.361 404 HA2 GLY 57 1HA GLY 57 7.142 -14.137 6.845 405 HA3 GLY 57 2HA GLY 57 8.195 -14.481 5.481 406 H SER 58 H SER 58 7.011 -11.842 4.328 407 HA SER 58 HA SER 58 8.067 -9.788 6.007 408 HB2 SER 58 1HB SER 58 9.639 -10.045 3.481 409 HB3 SER 58 2HB SER 58 10.096 -9.310 5.018 410 HG SER 58 HG SER 58 10.541 -11.814 4.134 411 HA PRO 59 HA PRO 59 5.120 -7.741 3.396 412 HB2 PRO 59 1HB PRO 59 5.385 -5.279 4.508 413 HB3 PRO 59 2HB PRO 59 4.491 -6.592 5.283 414 HG2 PRO 59 1HG PRO 59 7.283 -5.641 5.794 415 HG3 PRO 59 2HG PRO 59 6.028 -6.103 6.958 416 HD2 PRO 59 1HD PRO 59 8.051 -7.763 6.261 417 HD3 PRO 59 2HD PRO 59 6.434 -8.357 6.692 418 H TYR 60 H TYR 60 8.282 -7.776 2.991 419 HA TYR 60 HA TYR 60 8.357 -5.437 1.203 420 HB2 TYR 60 1HB TYR 60 10.807 -6.931 2.083 421 HB3 TYR 60 2HB TYR 60 10.663 -5.264 1.538 422 HD1 TYR 60 1HD TYR 60 8.832 -3.935 3.150 423 HD2 TYR 60 2HD TYR 60 11.413 -7.119 4.291 424 HE1 TYR 60 1HE TYR 60 8.725 -3.176 5.487 425 HE2 TYR 60 2HE TYR 60 11.312 -6.369 6.632 426 HH TYR 60 HH TYR 60 9.037 -4.205 7.773 427 H ALA 61 H ALA 61 7.295 -8.227 0.748 428 HA ALA 61 HA ALA 61 9.110 -9.283 -1.262 429 HB1 ALA 61 3HB ALA 61 7.836 -11.212 -1.255 430 HB2 ALA 61 1HB ALA 61 7.660 -10.644 0.406 431 HB3 ALA 61 2HB ALA 61 6.369 -10.366 -0.764 432 H GLU 62 H GLU 62 6.213 -7.381 -1.056 433 HA GLU 62 HA GLU 62 6.350 -6.822 -3.889 434 HB2 GLU 62 1HB GLU 62 4.051 -8.311 -2.655 435 HB3 GLU 62 2HB GLU 62 3.805 -7.282 -4.059 436 HG2 GLU 62 1HG GLU 62 5.847 -8.696 -4.981 437 HG3 GLU 62 2HG GLU 62 5.224 -9.870 -3.824 438 H THR 63 H THR 63 5.855 -4.755 -4.260 439 HA THR 63 HA THR 63 4.347 -3.299 -2.186 440 HB THR 63 HB THR 63 5.779 -1.330 -3.412 441 HG1 THR 63 1HG THR 63 7.445 -3.642 -3.269 442 HG21 THR 63 3HG2 THR 63 5.781 -1.218 -1.126 443 HG22 THR 63 1HG2 THR 63 7.423 -1.806 -1.386 444 HG23 THR 63 2HG2 THR 63 6.144 -2.932 -0.932 445 H VAL 64 H VAL 64 2.813 -1.827 -2.835 446 HA VAL 64 HA VAL 64 2.439 -1.329 -5.686 447 HB VAL 64 HB VAL 64 0.484 -2.800 -3.952 448 HG11 VAL 64 1HG1 VAL 64 -0.114 -0.756 -5.998 449 HG12 VAL 64 2HG1 VAL 64 -1.030 -2.261 -6.102 450 HG13 VAL 64 3HG1 VAL 64 -1.073 -1.302 -4.622 451 HG21 VAL 64 3HG2 VAL 64 1.621 -3.154 -6.711 452 HG22 VAL 64 1HG2 VAL 64 1.751 -4.232 -5.322 453 HG23 VAL 64 2HG2 VAL 64 0.207 -4.048 -6.155 454 H ARG 65 H ARG 65 2.356 0.813 -5.797 455 HA ARG 65 HA ARG 65 1.263 2.362 -3.589 456 HB2 ARG 65 1HB ARG 65 2.963 2.947 -5.964 457 HB3 ARG 65 2HB ARG 65 1.989 4.259 -5.312 458 HG2 ARG 65 1HG ARG 65 3.181 4.368 -3.369 459 HG3 ARG 65 2HG ARG 65 3.645 2.666 -3.429 460 HD2 ARG 65 1HD ARG 65 4.743 4.909 -5.118 461 HD3 ARG 65 2HD ARG 65 5.584 4.041 -3.835 462 HE ARG 65 HE ARG 65 4.815 2.131 -5.666 463 HH11 ARG 65 1HH1 ARG 65 6.803 4.989 -5.661 464 HH12 ARG 65 2HH1 ARG 65 7.867 4.410 -6.900 465 HH21 ARG 65 1HH2 ARG 65 6.209 1.357 -7.298 466 HH22 ARG 65 2HH2 ARG 65 7.527 2.344 -7.831 467 H VAL 66 H VAL 66 -0.852 2.719 -3.552 468 HA VAL 66 HA VAL 66 -2.306 2.967 -6.093 469 HB VAL 66 HB VAL 66 -4.343 2.792 -4.506 470 HG11 VAL 66 1HG1 VAL 66 -2.504 0.450 -4.983 471 HG12 VAL 66 2HG1 VAL 66 -4.208 0.327 -4.541 472 HG13 VAL 66 3HG1 VAL 66 -3.745 1.057 -6.079 473 HG21 VAL 66 3HG2 VAL 66 -2.659 1.204 -2.687 474 HG22 VAL 66 1HG2 VAL 66 -2.486 2.954 -2.551 475 HG23 VAL 66 2HG2 VAL 66 -4.070 2.206 -2.346 476 H ASP 67 H ASP 67 -4.343 4.445 -5.796 477 HA ASP 67 HA ASP 67 -3.322 7.084 -5.232 478 HB2 ASP 67 1HB ASP 67 -6.156 6.430 -6.014 479 HB3 ASP 67 2HB ASP 67 -5.251 7.910 -6.317 480 H SER 68 H SER 68 -4.646 8.659 -3.985 481 HA SER 68 HA SER 68 -5.090 7.667 -1.352 482 HB2 SER 68 1HB SER 68 -5.395 9.915 -0.712 483 HB3 SER 68 2HB SER 68 -4.256 10.003 -2.056 484 HG SER 68 HG SER 68 -5.753 10.897 -3.292 485 H LYS 69 H LYS 69 -6.954 7.321 -3.973 486 HA LYS 69 HA LYS 69 -9.512 7.841 -2.656 487 HB2 LYS 69 1HB LYS 69 -10.366 6.994 -4.966 488 HB3 LYS 69 2HB LYS 69 -9.656 8.598 -4.842 489 HG2 LYS 69 1HG LYS 69 -7.615 7.864 -5.801 490 HG3 LYS 69 2HG LYS 69 -8.093 6.169 -5.677 491 HD2 LYS 69 1HD LYS 69 -8.486 6.632 -7.912 492 HD3 LYS 69 2HD LYS 69 -10.078 6.884 -7.192 493 HE2 LYS 69 1HE LYS 69 -8.069 9.069 -7.726 494 HE3 LYS 69 2HE LYS 69 -9.411 8.661 -8.794 495 HZ1 LYS 69 3HZ LYS 69 -10.453 10.233 -7.598 496 HZ2 LYS 69 1HZ LYS 69 -9.422 10.083 -6.265 497 HZ3 LYS 69 2HZ LYS 69 -10.689 8.984 -6.482 498 H GLN 70 H GLN 70 -7.434 5.229 -3.647 499 HA GLN 70 HA GLN 70 -9.318 3.130 -3.508 500 HB2 GLN 70 1HB GLN 70 -6.369 2.888 -2.924 501 HB3 GLN 70 2HB GLN 70 -7.448 1.645 -3.542 502 HG2 GLN 70 1HG GLN 70 -6.437 4.083 -4.975 503 HG3 GLN 70 2HG GLN 70 -6.112 2.391 -5.348 504 HE21 GLN 70 1HE2 GLN 70 -8.857 4.604 -4.961 505 HE22 GLN 70 2HE2 GLN 70 -9.764 3.986 -6.295 506 H ARG 71 H ARG 71 -10.379 2.409 -1.796 507 HA ARG 71 HA ARG 71 -9.301 2.939 0.877 508 HB2 ARG 71 1HB ARG 71 -11.478 3.742 0.830 509 HB3 ARG 71 2HB ARG 71 -12.044 2.438 -0.206 510 HG2 ARG 71 1HG ARG 71 -12.168 0.924 1.573 511 HG3 ARG 71 2HG ARG 71 -11.168 1.937 2.616 512 HD2 ARG 71 1HD ARG 71 -13.217 2.434 3.479 513 HD3 ARG 71 2HD ARG 71 -13.139 3.657 2.212 514 HE ARG 71 HE ARG 71 -14.322 1.227 1.295 515 HH11 ARG 71 1HH1 ARG 71 -14.940 4.159 3.066 516 HH12 ARG 71 2HH1 ARG 71 -16.638 4.163 2.724 517 HH21 ARG 71 1HH2 ARG 71 -16.557 1.220 0.837 518 HH22 ARG 71 2HH2 ARG 71 -17.557 2.490 1.457 519 H TYR 72 H TYR 72 -9.167 0.541 -1.323 520 HA TYR 72 HA TYR 72 -8.343 -1.414 0.565 521 HB2 TYR 72 1HB TYR 72 -10.064 -2.937 0.573 522 HB3 TYR 72 2HB TYR 72 -10.989 -1.443 0.465 523 HD1 TYR 72 1HD TYR 72 -11.849 -0.707 -1.786 524 HD2 TYR 72 2HD TYR 72 -10.180 -4.565 -1.132 525 HE1 TYR 72 1HE TYR 72 -12.919 -1.512 -3.849 526 HE2 TYR 72 2HE TYR 72 -11.244 -5.381 -3.194 527 HH TYR 72 HH TYR 72 -12.763 -4.910 -4.793 528 H TYR 73 H TYR 73 -7.422 -3.280 -0.429 529 HA TYR 73 HA TYR 73 -7.222 -3.210 -3.353 530 HB2 TYR 73 1HB TYR 73 -5.277 -1.986 -2.336 531 HB3 TYR 73 2HB TYR 73 -4.809 -3.492 -1.553 532 HD1 TYR 73 2HD TYR 73 -4.096 -5.432 -2.947 533 HD2 TYR 73 1HD TYR 73 -4.792 -1.586 -4.630 534 HE1 TYR 73 2HE TYR 73 -2.834 -6.088 -4.954 535 HE2 TYR 73 1HE TYR 73 -3.534 -2.232 -6.642 536 HH TYR 73 HH TYR 73 -2.078 -5.461 -6.940 537 H SER 74 H SER 74 -7.474 -5.157 -4.225 538 HA SER 74 HA SER 74 -7.464 -7.488 -2.462 539 HB2 SER 74 1HB SER 74 -8.292 -7.660 -5.327 540 HB3 SER 74 2HB SER 74 -8.950 -8.489 -3.916 541 HG SER 74 HG SER 74 -10.260 -6.742 -4.877 542 H ILE 75 H ILE 75 -5.424 -8.232 -2.250 543 HA ILE 75 HA ILE 75 -3.577 -8.296 -4.453 544 HB ILE 75 HB ILE 75 -3.283 -9.672 -1.784 545 HG12 ILE 75 1HG1 ILE 75 -2.295 -6.912 -2.510 546 HG13 ILE 75 2HG1 ILE 75 -3.802 -7.193 -1.644 547 HG21 ILE 75 1HG2 ILE 75 -0.816 -9.105 -2.374 548 HG22 ILE 75 2HG2 ILE 75 -1.596 -10.494 -3.129 549 HG23 ILE 75 3HG2 ILE 75 -1.429 -8.983 -4.023 550 HD11 ILE 75 3HD1 ILE 75 -2.743 -7.810 0.274 551 HD12 ILE 75 1HD1 ILE 75 -1.316 -8.408 -0.572 552 HD13 ILE 75 2HD1 ILE 75 -1.564 -6.672 -0.378 553 H GLU 76 H GLU 76 -3.508 -9.810 -5.964 554 HA GLU 76 HA GLU 76 -4.480 -12.512 -5.296 555 HB2 GLU 76 1HB GLU 76 -4.611 -11.200 -8.014 556 HB3 GLU 76 2HB GLU 76 -5.297 -12.752 -7.553 557 HG2 GLU 76 1HG GLU 76 -6.575 -11.240 -5.793 558 HG3 GLU 76 2HG GLU 76 -6.274 -10.008 -7.017 559 H ARG 77 H ARG 77 -3.672 -14.032 -7.261 560 HA ARG 77 HA ARG 77 -1.910 -15.138 -8.182 561 HB2 ARG 77 1HB ARG 77 -0.520 -12.454 -8.144 562 HB3 ARG 77 2HB ARG 77 -0.065 -13.854 -9.106 563 HG2 ARG 77 1HG ARG 77 -2.694 -12.417 -9.376 564 HG3 ARG 77 2HG ARG 77 -1.270 -12.074 -10.361 565 HD2 ARG 77 1HD ARG 77 -2.263 -14.879 -10.161 566 HD3 ARG 77 2HD ARG 77 -3.119 -13.738 -11.198 567 HE ARG 77 HE ARG 77 -0.593 -14.960 -11.712 568 HH11 ARG 77 1HH1 ARG 77 -2.479 -12.084 -12.251 569 HH12 ARG 77 2HH1 ARG 77 -1.653 -11.659 -13.713 570 HH21 ARG 77 1HH2 ARG 77 0.503 -14.410 -13.635 571 HH22 ARG 77 2HH2 ARG 77 0.043 -12.983 -14.500 572 H LEU 78 H LEU 78 -2.197 -15.023 -5.340 573 HA LEU 78 HA LEU 78 0.596 -15.062 -4.423 574 HB2 LEU 78 1HB LEU 78 -1.871 -15.139 -2.704 575 HB3 LEU 78 2HB LEU 78 -0.214 -14.811 -2.203 576 HG LEU 78 HG LEU 78 -1.681 -12.972 -4.070 577 HD11 LEU 78 1HD1 LEU 78 -1.553 -12.275 -1.208 578 HD12 LEU 78 2HD1 LEU 78 -2.720 -13.518 -1.656 579 HD13 LEU 78 3HD1 LEU 78 -2.794 -11.927 -2.412 580 HD21 LEU 78 3HD2 LEU 78 0.025 -11.516 -3.709 581 HD22 LEU 78 1HD2 LEU 78 0.906 -13.022 -3.453 582 HD23 LEU 78 2HD2 LEU 78 0.325 -12.096 -2.070 583 H GLU 79 H GLU 79 0.580 -16.698 -2.330 584 HA GLU 79 HA GLU 79 -0.039 -19.305 -3.529 585 HB2 GLU 79 1HB GLU 79 1.645 -20.232 -2.055 586 HB3 GLU 79 2HB GLU 79 2.318 -18.860 -2.924 587 HG2 GLU 79 1HG GLU 79 1.667 -17.503 -0.832 588 HG3 GLU 79 2HG GLU 79 1.561 -19.075 -0.042 589 H SER 80 H SER 80 -0.189 -21.012 -1.539 590 HA SER 80 HA SER 80 -2.283 -19.989 0.264 591 HB2 SER 80 1HB SER 80 -3.599 -21.936 -0.058 592 HB3 SER 80 2HB SER 80 -3.102 -21.443 -1.676 593 HG SER 80 HG SER 80 -1.430 -23.016 -1.538 594 H SER 81 H SER 81 -2.422 -20.952 2.319 595 HA SER 81 HA SER 81 -1.623 -21.865 4.244 596 HB2 SER 81 1HB SER 81 -0.145 -23.691 2.333 597 HB3 SER 81 2HB SER 81 -0.266 -23.941 4.074 598 HG SER 81 HG SER 81 -1.958 -24.736 2.241 599 H SER 82 H SER 82 -0.487 -19.558 3.750 600 HA SER 82 HA SER 82 2.164 -19.853 4.842 601 HB2 SER 82 1HB SER 82 1.888 -18.340 2.240 602 HB3 SER 82 2HB SER 82 3.371 -18.702 3.123 603 HG SER 82 HG SER 82 2.738 -20.077 1.224 604 H HIS 83 H HIS 83 2.685 -18.171 6.129 605 HA HIS 83 HA HIS 83 0.694 -16.210 6.693 606 HB2 HIS 83 1HB HIS 83 2.026 -17.024 8.512 607 HB3 HIS 83 2HB HIS 83 3.520 -16.581 7.692 608 HD1 HIS 83 1HD HIS 83 4.359 -14.981 9.473 609 HD2 HIS 83 2HD HIS 83 0.559 -14.036 8.086 610 HE1 HIS 83 1HE HIS 83 3.847 -12.705 10.413 611 HE2 HIS 83 2HE HIS 83 1.509 -12.191 9.630 612 H TYR 84 H TYR 84 0.407 -14.294 5.775 613 HA TYR 84 HA TYR 84 2.636 -13.133 4.236 614 HB2 TYR 84 1HB TYR 84 -0.271 -13.373 3.680 615 HB3 TYR 84 2HB TYR 84 0.512 -11.878 3.178 616 HD1 TYR 84 1HD TYR 84 1.158 -15.562 3.026 617 HD2 TYR 84 2HD TYR 84 1.327 -11.811 1.026 618 HE1 TYR 84 1HE TYR 84 1.989 -16.686 1.003 619 HE2 TYR 84 2HE TYR 84 2.157 -12.924 -1.004 620 HH TYR 84 HH TYR 84 1.939 -15.414 -1.958 621 H VAL 85 H VAL 85 3.435 -11.286 4.970 622 HA VAL 85 HA VAL 85 2.001 -9.833 7.052 623 HB VAL 85 HB VAL 85 4.758 -9.193 6.027 624 HG11 VAL 85 1HG1 VAL 85 4.999 -8.428 8.430 625 HG12 VAL 85 2HG1 VAL 85 3.918 -7.474 7.412 626 HG13 VAL 85 3HG1 VAL 85 3.252 -8.628 8.568 627 HG21 VAL 85 3HG2 VAL 85 3.880 -11.357 7.898 628 HG22 VAL 85 1HG2 VAL 85 5.064 -11.420 6.593 629 HG23 VAL 85 2HG2 VAL 85 5.454 -10.588 8.098 630 H ILE 86 H ILE 86 0.720 -8.205 6.509 631 HA ILE 86 HA ILE 86 1.277 -6.717 4.036 632 HB ILE 86 HB ILE 86 -1.286 -6.724 5.628 633 HG12 ILE 86 1HG1 ILE 86 -1.002 -8.131 3.007 634 HG13 ILE 86 2HG1 ILE 86 -0.415 -8.934 4.459 635 HG21 ILE 86 1HG2 ILE 86 -1.927 -6.072 3.072 636 HG22 ILE 86 2HG2 ILE 86 -1.618 -4.904 4.356 637 HG23 ILE 86 3HG2 ILE 86 -0.333 -5.333 3.228 638 HD11 ILE 86 3HD1 ILE 86 -2.559 -9.732 4.300 639 HD12 ILE 86 1HD1 ILE 86 -2.768 -8.367 5.397 640 HD13 ILE 86 2HD1 ILE 86 -3.198 -8.204 3.694 641 H SER 87 H SER 87 2.004 -4.701 4.155 642 HA SER 87 HA SER 87 1.560 -3.187 6.642 643 HB2 SER 87 1HB SER 87 3.774 -2.387 6.652 644 HB3 SER 87 2HB SER 87 3.943 -4.097 6.256 645 HG SER 87 HG SER 87 5.158 -2.586 4.905 646 H LEU 88 H LEU 88 0.099 -1.692 6.093 647 HA LEU 88 HA LEU 88 0.362 -0.323 3.511 648 HB2 LEU 88 1HB LEU 88 -1.811 -1.119 3.709 649 HB3 LEU 88 2HB LEU 88 -1.900 -0.730 5.425 650 HG LEU 88 HG LEU 88 -1.810 1.734 4.617 651 HD11 LEU 88 1HD1 LEU 88 -2.597 0.279 2.103 652 HD12 LEU 88 2HD1 LEU 88 -1.271 1.419 2.324 653 HD13 LEU 88 3HD1 LEU 88 -2.940 1.985 2.393 654 HD21 LEU 88 3HD2 LEU 88 -4.315 0.193 3.991 655 HD22 LEU 88 1HD2 LEU 88 -4.164 1.831 4.628 656 HD23 LEU 88 2HD2 LEU 88 -3.743 0.449 5.640 657 H LYS 89 H LYS 89 0.854 1.789 3.367 658 HA LYS 89 HA LYS 89 0.733 3.472 5.750 659 HB2 LYS 89 1HB LYS 89 2.985 4.118 5.718 660 HB3 LYS 89 2HB LYS 89 3.043 2.374 5.495 661 HG2 LYS 89 1HG LYS 89 3.409 2.641 3.131 662 HG3 LYS 89 2HG LYS 89 3.206 4.389 3.263 663 HD2 LYS 89 1HD LYS 89 5.483 4.284 3.317 664 HD3 LYS 89 2HD LYS 89 5.157 4.096 5.041 665 HE2 LYS 89 1HE LYS 89 6.576 2.338 4.736 666 HE3 LYS 89 2HE LYS 89 5.048 1.539 4.369 667 HZ1 LYS 89 3HZ LYS 89 5.600 2.315 1.966 668 HZ2 LYS 89 1HZ LYS 89 6.332 0.924 2.592 669 HZ3 LYS 89 2HZ LYS 89 7.189 2.382 2.543 670 H ALA 90 H ALA 90 0.455 5.644 5.326 671 HA ALA 90 HA ALA 90 -0.453 6.282 2.656 672 HB1 ALA 90 3HB ALA 90 -0.351 8.036 5.107 673 HB2 ALA 90 1HB ALA 90 -1.234 8.361 3.615 674 HB3 ALA 90 2HB ALA 90 -1.710 7.011 4.646 675 H PHE 91 H PHE 91 0.347 7.954 1.349 676 HA PHE 91 HA PHE 91 2.946 9.089 2.081 677 HB2 PHE 91 1HB PHE 91 3.940 8.505 -0.037 678 HB3 PHE 91 2HB PHE 91 3.326 7.035 0.712 679 HD1 PHE 91 1HD PHE 91 2.659 9.560 -1.897 680 HD2 PHE 91 2HD PHE 91 1.687 5.717 -0.347 681 HE1 PHE 91 1HE PHE 91 1.369 9.069 -3.934 682 HE2 PHE 91 2HE PHE 91 0.396 5.220 -2.382 683 HZ PHE 91 HZ PHE 91 0.236 6.896 -4.179 684 H ASN 92 H ASN 92 3.594 10.880 0.627 685 HA ASN 92 HA ASN 92 1.701 12.074 -1.127 686 HB2 ASN 92 1HB ASN 92 1.025 13.976 0.169 687 HB3 ASN 92 2HB ASN 92 0.658 12.536 1.115 688 HD21 ASN 92 1HD2 ASN 92 0.700 14.712 2.527 689 HD22 ASN 92 2HD2 ASN 92 2.151 14.882 3.450 690 H ASN 93 H ASN 93 2.404 14.630 -1.237 691 HA ASN 93 HA ASN 93 4.834 14.701 -2.515 692 HB2 ASN 93 1HB ASN 93 3.099 16.786 -1.271 693 HB3 ASN 93 2HB ASN 93 4.718 17.253 -1.784 694 HD21 ASN 93 1HD2 ASN 93 2.409 14.973 -3.194 695 HD22 ASN 93 2HD2 ASN 93 2.299 15.763 -4.726 696 H ALA 94 H ALA 94 4.180 14.876 0.890 697 HA ALA 94 HA ALA 94 6.773 15.880 1.621 698 HB1 ALA 94 3HB ALA 94 4.719 14.534 3.370 699 HB2 ALA 94 1HB ALA 94 6.078 15.528 3.899 700 HB3 ALA 94 2HB ALA 94 4.749 16.258 2.997 701 H GLY 95 H GLY 95 5.321 12.755 1.112 702 HA2 GLY 95 1HA GLY 95 7.156 11.086 0.533 703 HA3 GLY 95 2HA GLY 95 7.764 11.459 2.139 704 H GLU 96 H GLU 96 7.425 9.730 3.373 705 HA GLU 96 HA GLU 96 4.769 8.457 3.264 706 HB2 GLU 96 1HB GLU 96 7.279 7.098 4.224 707 HB3 GLU 96 2HB GLU 96 5.745 6.362 3.782 708 HG2 GLU 96 1HG GLU 96 6.115 6.730 1.484 709 HG3 GLU 96 2HG GLU 96 7.464 7.819 1.801 710 H GLY 97 H GLY 97 3.794 7.837 5.218 711 HA2 GLY 97 1HA GLY 97 4.931 9.179 7.592 712 HA3 GLY 97 2HA GLY 97 3.208 9.044 7.275 713 H VAL 98 H VAL 98 3.820 8.256 9.670 714 HA VAL 98 HA VAL 98 4.870 5.928 10.421 715 HB VAL 98 HB VAL 98 3.573 7.290 11.964 716 HG11 VAL 98 1HG1 VAL 98 1.508 7.951 11.498 717 HG12 VAL 98 2HG1 VAL 98 1.529 6.972 10.030 718 HG13 VAL 98 3HG1 VAL 98 0.946 6.281 11.545 719 HG21 VAL 98 3HG2 VAL 98 4.019 4.815 12.363 720 HG22 VAL 98 1HG2 VAL 98 2.750 5.563 13.333 721 HG23 VAL 98 2HG2 VAL 98 2.324 4.555 11.949 722 HA PRO 99 HA PRO 99 2.965 3.114 7.441 723 HB2 PRO 99 1HB PRO 99 4.772 1.128 7.840 724 HB3 PRO 99 2HB PRO 99 5.089 2.520 6.798 725 HG2 PRO 99 1HG PRO 99 5.949 2.034 9.624 726 HG3 PRO 99 2HG PRO 99 6.881 2.698 8.269 727 HD2 PRO 99 1HD PRO 99 5.782 4.263 10.187 728 HD3 PRO 99 2HD PRO 99 5.964 4.800 8.504 729 H LEU 100 H LEU 100 1.506 1.511 7.747 730 HA LEU 100 HA LEU 100 1.213 0.477 10.484 731 HB2 LEU 100 1HB LEU 100 -0.628 1.821 9.232 732 HB3 LEU 100 2HB LEU 100 -0.914 0.300 8.389 733 HG LEU 100 HG LEU 100 -1.152 -0.691 10.775 734 HD11 LEU 100 1HD1 LEU 100 -0.336 1.305 11.946 735 HD12 LEU 100 2HD1 LEU 100 -1.974 0.873 12.436 736 HD13 LEU 100 3HD1 LEU 100 -1.712 2.220 11.329 737 HD21 LEU 100 3HD2 LEU 100 -2.922 0.121 8.884 738 HD22 LEU 100 1HD2 LEU 100 -3.455 1.059 10.279 739 HD23 LEU 100 2HD2 LEU 100 -3.363 -0.699 10.382 740 H TYR 101 H TYR 101 1.650 -1.589 10.852 741 HA TYR 101 HA TYR 101 2.012 -3.386 8.572 742 HB2 TYR 101 1HB TYR 101 2.959 -3.412 11.422 743 HB3 TYR 101 2HB TYR 101 2.969 -4.891 10.467 744 HD1 TYR 101 1HD TYR 101 4.196 -1.375 10.435 745 HD2 TYR 101 2HD TYR 101 4.770 -5.361 9.063 746 HE1 TYR 101 1HE TYR 101 6.356 -0.721 9.458 747 HE2 TYR 101 2HE TYR 101 6.932 -4.719 8.083 748 HH TYR 101 HH TYR 101 8.022 -1.363 8.077 749 H GLU 102 H GLU 102 1.305 -5.665 8.839 750 HA GLU 102 HA GLU 102 -0.832 -6.241 10.665 751 HB2 GLU 102 1HB GLU 102 -1.725 -4.828 8.600 752 HB3 GLU 102 2HB GLU 102 -1.697 -6.402 7.817 753 HG2 GLU 102 1HG GLU 102 -3.873 -5.678 8.897 754 HG3 GLU 102 2HG GLU 102 -3.280 -7.293 9.282 755 H SER 103 H SER 103 -1.910 -8.412 9.961 756 HA SER 103 HA SER 103 0.056 -10.145 8.641 757 HB2 SER 103 1HB SER 103 -0.330 -11.860 10.433 758 HB3 SER 103 2HB SER 103 0.520 -10.419 10.991 759 HG SER 103 HG SER 103 -2.225 -10.292 11.191 760 H ALA 104 H ALA 104 -0.792 -11.994 7.658 761 HA ALA 104 HA ALA 104 -3.562 -12.689 7.866 762 HB1 ALA 104 3HB ALA 104 -2.832 -11.740 5.134 763 HB2 ALA 104 1HB ALA 104 -4.421 -11.908 5.882 764 HB3 ALA 104 2HB ALA 104 -3.364 -10.573 6.345 765 H THR 105 H THR 105 -3.381 -14.828 7.858 766 HA THR 105 HA THR 105 -1.359 -16.115 6.186 767 HB THR 105 HB THR 105 -3.175 -17.420 8.218 768 HG1 THR 105 1HG THR 105 -1.355 -17.224 9.620 769 HG21 THR 105 3HG2 THR 105 -2.299 -19.128 6.906 770 HG22 THR 105 1HG2 THR 105 -1.133 -19.023 8.224 771 HG23 THR 105 2HG2 THR 105 -0.766 -18.291 6.662 772 H THR 106 H THR 106 -1.984 -16.550 4.172 773 HA THR 106 HA THR 106 -4.490 -16.632 3.103 774 HB THR 106 HB THR 106 -3.484 -18.338 1.424 775 HG1 THR 106 1HG THR 106 -1.287 -18.638 1.593 776 HG21 THR 106 3HG2 THR 106 -2.463 -15.560 1.938 777 HG22 THR 106 1HG2 THR 106 -3.623 -16.105 0.727 778 HG23 THR 106 2HG2 THR 106 -1.913 -16.498 0.550 779 H ARG 107 H ARG 107 -5.539 -18.662 2.090 780 HA ARG 107 HA ARG 107 -6.131 -20.476 4.291 781 HB2 ARG 107 1HB ARG 107 -7.476 -20.465 1.597 782 HB3 ARG 107 2HB ARG 107 -8.110 -21.043 3.132 783 HG2 ARG 107 1HG ARG 107 -7.482 -18.151 2.612 784 HG3 ARG 107 2HG ARG 107 -9.060 -18.873 2.285 785 HD2 ARG 107 1HD ARG 107 -7.655 -18.732 4.950 786 HD3 ARG 107 2HD ARG 107 -9.073 -17.807 4.458 787 HE ARG 107 HE ARG 107 -9.681 -20.515 4.192 788 HH11 ARG 107 1HH1 ARG 107 -8.943 -18.219 6.702 789 HH12 ARG 107 2HH1 ARG 107 -9.872 -19.043 7.910 790 HH21 ARG 107 1HH2 ARG 107 -10.909 -21.609 5.773 791 HH22 ARG 107 2HH2 ARG 107 -10.989 -20.972 7.381 792 H SER 108 H SER 108 -6.748 -22.805 3.413 793 HA SER 108 HA SER 108 -4.342 -23.785 2.036 794 HB2 SER 108 1HB SER 108 -4.800 -25.943 3.125 795 HB3 SER 108 2HB SER 108 -4.670 -24.648 4.315 796 HG SER 108 HG SER 108 -6.501 -26.147 4.545 797 H ILE 109 H ILE 109 -4.482 -24.897 0.174 798 HA ILE 109 HA ILE 109 -7.008 -24.938 -1.205 799 HB ILE 109 HB ILE 109 -4.261 -25.881 -2.023 800 HG12 ILE 109 1HG1 ILE 109 -5.925 -23.441 -2.630 801 HG13 ILE 109 2HG1 ILE 109 -4.312 -23.511 -1.928 802 HG21 ILE 109 1HG2 ILE 109 -6.080 -25.505 -4.215 803 HG22 ILE 109 2HG2 ILE 109 -5.113 -26.917 -3.793 804 HG23 ILE 109 3HG2 ILE 109 -6.715 -26.702 -3.087 805 HD11 ILE 109 3HD1 ILE 109 -4.258 -24.753 -4.489 806 HD12 ILE 109 1HD1 ILE 109 -5.027 -23.172 -4.625 807 HD13 ILE 109 2HD1 ILE 109 -3.411 -23.310 -3.932 808 H THR 110 H THR 110 -4.735 -27.359 0.035 809 HA THR 110 HA THR 110 -5.970 -29.661 -0.898 810 HB THR 110 HB THR 110 -3.842 -29.908 0.112 811 HG1 THR 110 1HG THR 110 -5.304 -31.656 0.526 812 HG21 THR 110 3HG2 THR 110 -4.894 -28.095 2.059 813 HG22 THR 110 1HG2 THR 110 -3.223 -28.596 1.802 814 HG23 THR 110 2HG2 THR 110 -4.266 -29.525 2.879 815 H SER 111 H SER 111 -7.121 -27.405 1.364 816 HA SER 111 HA SER 111 -8.697 -29.109 2.994 817 HB2 SER 111 1HB SER 111 -8.201 -26.914 3.813 818 HB3 SER 111 2HB SER 111 -8.882 -26.157 2.373 819 HG SER 111 HG SER 111 -10.889 -26.591 3.070 820 H GLY 112 H GLY 112 -9.605 -26.967 0.285 821 HA2 GLY 112 1HA GLY 112 -12.274 -27.933 0.139 822 HA3 GLY 112 2HA GLY 112 -11.451 -26.977 -1.085 823 HA PRO 113 HA PRO 113 -11.338 -31.781 -1.914 824 HB2 PRO 113 1HB PRO 113 -13.917 -32.609 -2.107 825 HB3 PRO 113 2HB PRO 113 -12.985 -32.709 -0.608 826 HG2 PRO 113 1HG PRO 113 -14.995 -30.659 -1.455 827 HG3 PRO 113 2HG PRO 113 -14.793 -31.443 0.123 828 HD2 PRO 113 1HD PRO 113 -13.878 -28.947 -0.392 829 HD3 PRO 113 2HD PRO 113 -13.060 -30.050 0.733 830 H SER 114 H SER 114 -12.864 -29.036 -3.104 831 HA SER 114 HA SER 114 -14.106 -29.825 -5.443 832 HB2 SER 114 1HB SER 114 -14.261 -27.537 -4.810 833 HB3 SER 114 2HB SER 114 -12.508 -27.347 -4.796 834 HG SER 114 HG SER 114 -13.531 -26.476 -6.687 835 H SER 115 H SER 115 -13.431 -30.851 -7.197 836 HA SER 115 HA SER 115 -10.542 -30.953 -7.741 837 HB2 SER 115 1HB SER 115 -10.841 -33.082 -8.698 838 HB3 SER 115 2HB SER 115 -11.913 -33.095 -7.298 839 HG SER 115 HG SER 115 -13.456 -32.209 -9.085 840 H GLY 116 H GLY 116 -9.729 -30.355 -9.694 841 HA2 GLY 116 1HA GLY 116 -11.594 -29.685 -11.854 842 HA3 GLY 116 2HA GLY 116 -10.558 -28.407 -11.235 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.033 14.595 -17.518 2 HA2 GLY 1 1HA GLY 1 4.873 13.848 -15.674 3 HA3 GLY 1 2HA GLY 1 6.402 13.290 -15.011 4 H SER 2 H SER 2 4.254 16.055 -15.327 5 HA SER 2 HA SER 2 5.791 17.613 -13.422 6 HB2 SER 2 1HB SER 2 3.449 18.111 -15.192 7 HB3 SER 2 2HB SER 2 3.594 19.101 -13.740 8 HG SER 2 HG SER 2 5.824 19.483 -14.494 9 H SER 3 H SER 3 5.139 18.170 -11.359 10 HA SER 3 HA SER 3 2.634 17.260 -10.276 11 HB2 SER 3 1HB SER 3 5.205 15.839 -9.648 12 HB3 SER 3 2HB SER 3 3.929 15.941 -8.436 13 HG SER 3 HG SER 3 3.385 14.153 -9.496 14 H GLY 4 H GLY 4 2.073 19.050 -9.220 15 HA2 GLY 4 1HA GLY 4 3.396 19.912 -6.898 16 HA3 GLY 4 2HA GLY 4 3.852 20.978 -8.218 17 H SER 5 H SER 5 2.204 22.203 -9.279 18 HA SER 5 HA SER 5 0.137 23.043 -7.442 19 HB2 SER 5 1HB SER 5 1.451 24.706 -8.714 20 HB3 SER 5 2HB SER 5 0.797 24.058 -10.219 21 HG SER 5 HG SER 5 -1.331 24.549 -9.154 22 H SER 6 H SER 6 -0.286 20.433 -8.294 23 HA SER 6 HA SER 6 -2.189 20.396 -10.452 24 HB2 SER 6 1HB SER 6 -2.510 18.010 -9.768 25 HB3 SER 6 2HB SER 6 -0.829 18.429 -10.098 26 HG SER 6 HG SER 6 -1.988 18.404 -7.508 27 H GLY 7 H GLY 7 -4.218 21.059 -10.265 28 HA2 GLY 7 1HA GLY 7 -6.293 21.501 -9.391 29 HA3 GLY 7 2HA GLY 7 -6.011 20.138 -8.318 30 HA PRO 8 HA PRO 8 -5.981 24.341 -6.072 31 HB2 PRO 8 1HB PRO 8 -8.443 24.207 -4.935 32 HB3 PRO 8 2HB PRO 8 -8.151 24.957 -6.509 33 HG2 PRO 8 1HG PRO 8 -9.192 22.222 -5.877 34 HG3 PRO 8 2HG PRO 8 -9.750 23.376 -7.103 35 HD2 PRO 8 1HD PRO 8 -8.154 21.272 -7.702 36 HD3 PRO 8 2HD PRO 8 -8.070 22.814 -8.578 37 H GLU 9 H GLU 9 -6.961 24.462 -3.594 38 HA GLU 9 HA GLU 9 -6.208 21.953 -2.262 39 HB2 GLU 9 1HB GLU 9 -5.206 24.722 -1.588 40 HB3 GLU 9 2HB GLU 9 -5.009 23.325 -0.540 41 HG2 GLU 9 1HG GLU 9 -3.792 22.204 -2.420 42 HG3 GLU 9 2HG GLU 9 -3.834 23.746 -3.273 43 H ASN 10 H ASN 10 -7.238 21.526 -0.320 44 HA ASN 10 HA ASN 10 -9.621 23.156 0.178 45 HB2 ASN 10 1HB ASN 10 -9.530 20.529 -0.192 46 HB3 ASN 10 2HB ASN 10 -9.181 20.534 1.534 47 HD21 ASN 10 1HD2 ASN 10 -11.577 20.246 -0.634 48 HD22 ASN 10 2HD2 ASN 10 -12.915 20.793 0.313 49 H ASP 11 H ASP 11 -6.777 23.660 1.124 50 HA ASP 11 HA ASP 11 -5.889 24.723 2.942 51 HB2 ASP 11 1HB ASP 11 -8.451 25.284 3.298 52 HB3 ASP 11 2HB ASP 11 -8.280 24.158 4.642 53 H LEU 12 H LEU 12 -5.464 21.985 2.427 54 HA LEU 12 HA LEU 12 -5.534 20.636 5.003 55 HB2 LEU 12 1HB LEU 12 -4.368 19.670 2.399 56 HB3 LEU 12 2HB LEU 12 -4.727 18.701 3.826 57 HG LEU 12 HG LEU 12 -6.885 20.127 2.297 58 HD11 LEU 12 1HD1 LEU 12 -5.851 18.765 0.649 59 HD12 LEU 12 2HD1 LEU 12 -7.289 17.908 1.202 60 HD13 LEU 12 3HD1 LEU 12 -5.695 17.413 1.772 61 HD21 LEU 12 3HD2 LEU 12 -7.715 19.430 4.353 62 HD22 LEU 12 1HD2 LEU 12 -6.755 17.950 4.351 63 HD23 LEU 12 2HD2 LEU 12 -8.145 18.100 3.276 64 H ASP 13 H ASP 13 -3.313 19.193 5.168 65 HA ASP 13 HA ASP 13 -1.102 21.142 5.128 66 HB2 ASP 13 1HB ASP 13 -2.112 20.664 7.421 67 HB3 ASP 13 2HB ASP 13 -1.459 19.036 7.259 68 H GLU 14 H GLU 14 -0.266 20.292 3.209 69 HA GLU 14 HA GLU 14 0.345 17.483 2.991 70 HB2 GLU 14 1HB GLU 14 -0.255 18.682 0.982 71 HB3 GLU 14 2HB GLU 14 1.037 19.846 1.240 72 HG2 GLU 14 1HG GLU 14 1.736 16.968 0.978 73 HG3 GLU 14 2HG GLU 14 1.297 17.876 -0.467 74 H SER 15 H SER 15 2.036 20.432 3.822 75 HA SER 15 HA SER 15 4.665 19.823 3.532 76 HB2 SER 15 1HB SER 15 3.618 21.905 4.592 77 HB3 SER 15 2HB SER 15 3.635 21.006 6.110 78 HG SER 15 HG SER 15 5.968 21.250 4.547 79 H GLN 16 H GLN 16 2.412 18.247 5.603 80 HA GLN 16 HA GLN 16 4.603 16.705 6.828 81 HB2 GLN 16 1HB GLN 16 3.234 16.327 8.746 82 HB3 GLN 16 2HB GLN 16 3.177 18.050 8.400 83 HG2 GLN 16 1HG GLN 16 0.997 17.892 7.499 84 HG3 GLN 16 2HG GLN 16 1.064 16.131 7.469 85 HE21 GLN 16 1HE2 GLN 16 -0.126 18.729 9.090 86 HE22 GLN 16 2HE2 GLN 16 -0.420 18.001 10.629 87 H VAL 17 H VAL 17 4.561 14.505 6.718 88 HA VAL 17 HA VAL 17 3.161 13.277 4.616 89 HB VAL 17 HB VAL 17 3.958 11.128 5.593 90 HG11 VAL 17 1HG1 VAL 17 5.512 11.939 4.125 91 HG12 VAL 17 2HG1 VAL 17 5.746 13.437 5.028 92 HG13 VAL 17 3HG1 VAL 17 6.470 11.935 5.606 93 HG21 VAL 17 3HG2 VAL 17 4.545 12.928 7.875 94 HG22 VAL 17 1HG2 VAL 17 4.032 11.241 7.863 95 HG23 VAL 17 2HG2 VAL 17 5.713 11.654 7.525 96 HA PRO 18 HA PRO 18 -0.743 12.228 6.339 97 HB2 PRO 18 1HB PRO 18 -1.290 9.957 4.956 98 HB3 PRO 18 2HB PRO 18 -1.347 11.565 4.224 99 HG2 PRO 18 1HG PRO 18 0.824 9.507 4.108 100 HG3 PRO 18 2HG PRO 18 0.181 10.530 2.809 101 HD2 PRO 18 1HD PRO 18 2.495 11.093 4.098 102 HD3 PRO 18 2HD PRO 18 1.422 12.358 3.464 103 H ASP 19 H ASP 19 -1.299 11.306 8.206 104 HA ASP 19 HA ASP 19 0.366 9.452 9.539 105 HB2 ASP 19 1HB ASP 19 -2.299 10.683 10.074 106 HB3 ASP 19 2HB ASP 19 -1.830 9.271 11.017 107 H GLN 20 H GLN 20 -0.609 7.391 10.529 108 HA GLN 20 HA GLN 20 -1.216 5.618 8.384 109 HB2 GLN 20 1HB GLN 20 -1.015 3.879 9.946 110 HB3 GLN 20 2HB GLN 20 0.100 5.110 10.524 111 HG2 GLN 20 1HG GLN 20 -1.883 5.879 11.991 112 HG3 GLN 20 2HG GLN 20 -2.541 4.280 11.646 113 HE21 GLN 20 1HE2 GLN 20 0.416 3.430 11.462 114 HE22 GLN 20 2HE2 GLN 20 0.845 3.149 13.111 115 HA PRO 21 HA PRO 21 -5.602 5.537 8.390 116 HB2 PRO 21 1HB PRO 21 -6.107 2.914 7.899 117 HB3 PRO 21 2HB PRO 21 -5.467 4.016 6.673 118 HG2 PRO 21 1HG PRO 21 -4.015 2.026 8.375 119 HG3 PRO 21 2HG PRO 21 -3.816 2.378 6.648 120 HD2 PRO 21 1HD PRO 21 -2.137 3.352 8.536 121 HD3 PRO 21 2HD PRO 21 -2.520 4.242 7.049 122 H SER 22 H SER 22 -6.935 5.705 10.069 123 HA SER 22 HA SER 22 -6.646 4.986 12.616 124 HB2 SER 22 1HB SER 22 -8.903 5.371 12.942 125 HB3 SER 22 2HB SER 22 -8.682 6.098 11.350 126 HG SER 22 HG SER 22 -10.411 4.784 11.126 127 H SER 23 H SER 23 -7.744 2.814 10.070 128 HA SER 23 HA SER 23 -6.943 0.525 11.628 129 HB2 SER 23 1HB SER 23 -9.210 -0.588 11.343 130 HB3 SER 23 2HB SER 23 -9.136 0.697 12.548 131 HG SER 23 HG SER 23 -10.107 2.087 11.075 132 H LEU 24 H LEU 24 -6.691 -1.353 10.385 133 HA LEU 24 HA LEU 24 -7.238 -1.113 7.512 134 HB2 LEU 24 1HB LEU 24 -5.017 -0.537 7.441 135 HB3 LEU 24 2HB LEU 24 -4.609 -1.512 8.851 136 HG LEU 24 HG LEU 24 -4.956 -3.543 7.367 137 HD11 LEU 24 1HD1 LEU 24 -6.199 -2.227 5.615 138 HD12 LEU 24 2HD1 LEU 24 -4.921 -3.283 5.015 139 HD13 LEU 24 3HD1 LEU 24 -4.643 -1.546 5.139 140 HD21 LEU 24 3HD2 LEU 24 -2.723 -2.401 6.037 141 HD22 LEU 24 1HD2 LEU 24 -2.740 -3.528 7.394 142 HD23 LEU 24 2HD2 LEU 24 -2.749 -1.789 7.691 143 H HIS 25 H HIS 25 -8.684 -2.702 7.245 144 HA HIS 25 HA HIS 25 -8.450 -5.207 8.677 145 HB2 HIS 25 1HB HIS 25 -10.645 -4.040 8.171 146 HB3 HIS 25 2HB HIS 25 -10.423 -4.530 6.494 147 HD1 HIS 25 1HD HIS 25 -12.581 -5.984 6.657 148 HD2 HIS 25 2HD HIS 25 -9.516 -7.144 9.211 149 HE1 HIS 25 1HE HIS 25 -13.217 -8.276 7.473 150 HE2 HIS 25 2HE HIS 25 -11.391 -8.922 9.083 151 H VAL 26 H VAL 26 -7.968 -7.195 7.810 152 HA VAL 26 HA VAL 26 -7.341 -7.400 4.971 153 HB VAL 26 HB VAL 26 -5.126 -8.301 5.316 154 HG11 VAL 26 1HG1 VAL 26 -5.611 -5.760 5.239 155 HG12 VAL 26 2HG1 VAL 26 -5.125 -5.785 6.935 156 HG13 VAL 26 3HG1 VAL 26 -3.997 -6.311 5.686 157 HG21 VAL 26 3HG2 VAL 26 -4.108 -8.070 7.645 158 HG22 VAL 26 1HG2 VAL 26 -5.768 -7.941 8.227 159 HG23 VAL 26 2HG2 VAL 26 -5.238 -9.399 7.389 160 H ARG 27 H ARG 27 -8.045 -9.276 4.192 161 HA ARG 27 HA ARG 27 -8.399 -11.524 6.064 162 HB2 ARG 27 1HB ARG 27 -10.233 -10.390 4.003 163 HB3 ARG 27 2HB ARG 27 -10.257 -12.128 4.270 164 HG2 ARG 27 1HG ARG 27 -10.530 -11.521 6.758 165 HG3 ARG 27 2HG ARG 27 -10.975 -9.923 6.158 166 HD2 ARG 27 1HD ARG 27 -13.020 -11.011 6.341 167 HD3 ARG 27 2HD ARG 27 -12.618 -11.192 4.634 168 HE ARG 27 HE ARG 27 -11.673 -13.404 6.137 169 HH11 ARG 27 1HH1 ARG 27 -14.571 -12.008 4.806 170 HH12 ARG 27 2HH1 ARG 27 -15.390 -13.527 4.656 171 HH21 ARG 27 1HH2 ARG 27 -12.741 -15.410 5.944 172 HH22 ARG 27 2HH2 ARG 27 -14.348 -15.462 5.305 173 HA PRO 28 HA PRO 28 -5.506 -13.259 3.074 174 HB2 PRO 28 1HB PRO 28 -4.879 -15.413 4.602 175 HB3 PRO 28 2HB PRO 28 -4.171 -13.814 4.860 176 HG2 PRO 28 1HG PRO 28 -6.432 -15.140 6.306 177 HG3 PRO 28 2HG PRO 28 -5.081 -14.198 6.965 178 HD2 PRO 28 1HD PRO 28 -7.556 -13.154 6.622 179 HD3 PRO 28 2HD PRO 28 -6.079 -12.182 6.463 180 H GLN 29 H GLN 29 -7.102 -13.795 1.525 181 HA GLN 29 HA GLN 29 -8.910 -15.964 1.870 182 HB2 GLN 29 1HB GLN 29 -8.000 -14.368 -0.510 183 HB3 GLN 29 2HB GLN 29 -9.069 -15.752 -0.696 184 HG2 GLN 29 1HG GLN 29 -10.041 -13.346 -0.479 185 HG3 GLN 29 2HG GLN 29 -10.833 -14.707 0.314 186 HE21 GLN 29 1HE2 GLN 29 -10.200 -11.637 0.774 187 HE22 GLN 29 2HE2 GLN 29 -9.918 -11.593 2.478 188 H THR 30 H THR 30 -8.808 -17.586 -0.229 189 HA THR 30 HA THR 30 -6.884 -19.492 0.437 190 HB THR 30 HB THR 30 -7.977 -19.485 -2.338 191 HG1 THR 30 1HG THR 30 -9.506 -19.597 0.045 192 HG21 THR 30 3HG2 THR 30 -6.800 -21.438 -1.785 193 HG22 THR 30 1HG2 THR 30 -8.494 -21.880 -1.574 194 HG23 THR 30 2HG2 THR 30 -7.498 -21.507 -0.167 195 H ASN 31 H ASN 31 -7.044 -17.787 -2.694 196 HA ASN 31 HA ASN 31 -4.100 -17.885 -2.780 197 HB2 ASN 31 1HB ASN 31 -6.071 -17.925 -5.076 198 HB3 ASN 31 2HB ASN 31 -4.319 -17.887 -5.249 199 HD21 ASN 31 1HD2 ASN 31 -3.414 -19.654 -3.482 200 HD22 ASN 31 2HD2 ASN 31 -4.023 -21.237 -3.810 201 H CYS 32 H CYS 32 -6.021 -15.805 -1.721 202 HA CYS 32 HA CYS 32 -4.679 -13.536 -2.919 203 HB2 CYS 32 1HB CYS 32 -6.950 -12.344 -3.151 204 HB3 CYS 32 2HB CYS 32 -6.497 -13.497 -4.400 205 HG CYS 32 HG CYS 32 -8.622 -14.911 -4.220 206 H ILE 33 H ILE 33 -5.542 -11.444 -1.787 207 HA ILE 33 HA ILE 33 -6.460 -11.881 0.927 208 HB ILE 33 HB ILE 33 -3.794 -10.536 0.507 209 HG12 ILE 33 1HG1 ILE 33 -4.407 -13.348 1.441 210 HG13 ILE 33 2HG1 ILE 33 -3.526 -12.890 -0.013 211 HG21 ILE 33 1HG2 ILE 33 -4.562 -9.678 2.478 212 HG22 ILE 33 2HG2 ILE 33 -5.549 -11.093 2.838 213 HG23 ILE 33 3HG2 ILE 33 -3.803 -11.152 3.077 214 HD11 ILE 33 3HD1 ILE 33 -2.157 -11.657 2.067 215 HD12 ILE 33 1HD1 ILE 33 -2.572 -13.260 2.674 216 HD13 ILE 33 2HD1 ILE 33 -1.668 -13.093 1.168 217 H ILE 34 H ILE 34 -8.101 -10.468 0.866 218 HA ILE 34 HA ILE 34 -7.814 -7.896 -0.442 219 HB ILE 34 HB ILE 34 -10.122 -9.253 0.933 220 HG12 ILE 34 1HG1 ILE 34 -11.083 -8.795 -1.437 221 HG13 ILE 34 2HG1 ILE 34 -9.404 -8.533 -1.896 222 HG21 ILE 34 1HG2 ILE 34 -9.702 -6.411 0.456 223 HG22 ILE 34 2HG2 ILE 34 -11.181 -7.028 -0.280 224 HG23 ILE 34 3HG2 ILE 34 -10.908 -7.227 1.451 225 HD11 ILE 34 3HD1 ILE 34 -9.640 -10.740 -2.400 226 HD12 ILE 34 1HD1 ILE 34 -9.064 -10.861 -0.738 227 HD13 ILE 34 2HD1 ILE 34 -10.783 -11.034 -1.091 228 H MET 35 H MET 35 -7.607 -5.950 0.533 229 HA MET 35 HA MET 35 -7.685 -5.862 3.471 230 HB2 MET 35 1HB MET 35 -5.740 -4.117 3.113 231 HB3 MET 35 2HB MET 35 -5.401 -5.838 3.236 232 HG2 MET 35 1HG MET 35 -5.316 -5.997 0.802 233 HG3 MET 35 2HG MET 35 -5.661 -4.274 0.678 234 HE1 MET 35 3HE MET 35 -2.515 -2.709 2.379 235 HE2 MET 35 1HE MET 35 -3.668 -2.329 1.099 236 HE3 MET 35 2HE MET 35 -4.248 -2.846 2.682 237 H SER 36 H SER 36 -8.603 -4.073 4.349 238 HA SER 36 HA SER 36 -9.297 -1.853 2.552 239 HB2 SER 36 1HB SER 36 -11.555 -1.761 3.457 240 HB3 SER 36 2HB SER 36 -11.256 -3.365 2.788 241 HG SER 36 HG SER 36 -10.873 -2.773 5.527 242 H TRP 37 H TRP 37 -8.418 -0.072 3.345 243 HA TRP 37 HA TRP 37 -8.231 0.228 6.270 244 HB2 TRP 37 1HB TRP 37 -6.328 1.749 5.845 245 HB3 TRP 37 2HB TRP 37 -6.037 0.129 5.218 246 HD1 TRP 37 HD TRP 37 -6.120 3.717 4.178 247 HE1 TRP 37 1HE TRP 37 -5.678 3.908 1.649 248 HE3 TRP 37 3HE TRP 37 -6.560 -1.214 2.902 249 HZ2 TRP 37 2HZ TRP 37 -5.535 2.195 -0.590 250 HZ3 TRP 37 3HZ TRP 37 -6.257 -1.854 0.546 251 HH2 TRP 37 HH TRP 37 -5.756 -0.184 -1.162 252 H THR 38 H THR 38 -7.958 2.724 6.789 253 HA THR 38 HA THR 38 -10.038 4.194 5.307 254 HB THR 38 HB THR 38 -10.279 5.237 7.810 255 HG1 THR 38 1HG THR 38 -10.458 3.284 9.158 256 HG21 THR 38 3HG2 THR 38 -11.906 4.016 6.029 257 HG22 THR 38 1HG2 THR 38 -12.414 4.509 7.644 258 HG23 THR 38 2HG2 THR 38 -11.932 2.840 7.343 259 HA PRO 39 HA PRO 39 -7.381 7.685 5.199 260 HB2 PRO 39 1HB PRO 39 -9.037 9.758 5.776 261 HB3 PRO 39 2HB PRO 39 -9.100 8.875 4.246 262 HG2 PRO 39 1HG PRO 39 -10.825 8.582 6.675 263 HG3 PRO 39 2HG PRO 39 -11.294 8.598 4.965 264 HD2 PRO 39 1HD PRO 39 -11.054 6.307 6.388 265 HD3 PRO 39 2HD PRO 39 -10.699 6.394 4.651 266 HA PRO 40 HA PRO 40 -5.846 8.900 9.136 267 HB2 PRO 40 1HB PRO 40 -5.049 11.461 8.717 268 HB3 PRO 40 2HB PRO 40 -4.196 10.067 8.042 269 HG2 PRO 40 1HG PRO 40 -6.175 11.894 6.734 270 HG3 PRO 40 2HG PRO 40 -4.654 11.247 6.091 271 HD2 PRO 40 1HD PRO 40 -7.069 10.203 5.448 272 HD3 PRO 40 2HD PRO 40 -5.599 9.213 5.557 273 H LEU 41 H LEU 41 -6.787 9.462 10.995 274 HA LEU 41 HA LEU 41 -9.283 10.437 11.343 275 HB2 LEU 41 1HB LEU 41 -6.855 10.765 13.081 276 HB3 LEU 41 2HB LEU 41 -8.451 11.311 13.592 277 HG LEU 41 HG LEU 41 -7.943 8.462 12.785 278 HD11 LEU 41 1HD1 LEU 41 -7.645 9.661 15.535 279 HD12 LEU 41 2HD1 LEU 41 -6.351 8.983 14.547 280 HD13 LEU 41 3HD1 LEU 41 -7.636 7.939 15.155 281 HD21 LEU 41 3HD2 LEU 41 -10.241 8.932 12.881 282 HD22 LEU 41 1HD2 LEU 41 -10.064 9.926 14.328 283 HD23 LEU 41 2HD2 LEU 41 -9.867 8.176 14.431 284 H ASN 42 H ASN 42 -6.494 12.262 10.453 285 HA ASN 42 HA ASN 42 -7.902 14.794 10.912 286 HB2 ASN 42 1HB ASN 42 -5.368 14.210 11.534 287 HB3 ASN 42 2HB ASN 42 -5.112 14.750 9.878 288 HD21 ASN 42 1HD2 ASN 42 -5.424 16.887 9.352 289 HD22 ASN 42 2HD2 ASN 42 -5.632 18.122 10.542 290 HA PRO 43 HA PRO 43 -8.804 14.323 6.487 291 HB2 PRO 43 1HB PRO 43 -10.888 16.063 6.518 292 HB3 PRO 43 2HB PRO 43 -11.040 14.373 7.015 293 HG2 PRO 43 1HG PRO 43 -10.719 16.824 8.705 294 HG3 PRO 43 2HG PRO 43 -11.793 15.433 8.943 295 HD2 PRO 43 1HD PRO 43 -9.458 15.718 10.285 296 HD3 PRO 43 2HD PRO 43 -10.114 14.131 9.836 297 H ASN 44 H ASN 44 -7.472 16.750 8.324 298 HA ASN 44 HA ASN 44 -7.535 18.787 6.242 299 HB2 ASN 44 1HB ASN 44 -6.071 18.907 8.881 300 HB3 ASN 44 2HB ASN 44 -6.525 20.253 7.841 301 HD21 ASN 44 1HD2 ASN 44 -7.824 17.677 9.859 302 HD22 ASN 44 2HD2 ASN 44 -9.282 18.500 10.285 303 H ILE 45 H ILE 45 -5.914 16.060 6.510 304 HA ILE 45 HA ILE 45 -3.298 17.177 5.766 305 HB ILE 45 HB ILE 45 -4.018 14.360 6.586 306 HG12 ILE 45 1HG1 ILE 45 -4.090 15.835 8.489 307 HG13 ILE 45 2HG1 ILE 45 -2.597 14.907 8.574 308 HG21 ILE 45 1HG2 ILE 45 -1.884 15.223 5.019 309 HG22 ILE 45 2HG2 ILE 45 -1.209 15.012 6.633 310 HG23 ILE 45 3HG2 ILE 45 -2.038 13.672 5.843 311 HD11 ILE 45 3HD1 ILE 45 -2.963 17.788 7.839 312 HD12 ILE 45 1HD1 ILE 45 -2.011 17.096 9.152 313 HD13 ILE 45 2HD1 ILE 45 -1.480 16.906 7.480 314 H VAL 46 H VAL 46 -2.404 16.794 3.799 315 HA VAL 46 HA VAL 46 -4.153 15.915 1.694 316 HB VAL 46 HB VAL 46 -1.251 16.753 1.614 317 HG11 VAL 46 1HG1 VAL 46 -1.980 15.242 -0.252 318 HG12 VAL 46 2HG1 VAL 46 -3.151 16.480 -0.708 319 HG13 VAL 46 3HG1 VAL 46 -1.425 16.837 -0.759 320 HG21 VAL 46 3HG2 VAL 46 -2.238 18.818 0.571 321 HG22 VAL 46 1HG2 VAL 46 -3.822 18.224 1.069 322 HG23 VAL 46 2HG2 VAL 46 -2.598 18.597 2.283 323 H VAL 47 H VAL 47 -4.143 14.027 0.607 324 HA VAL 47 HA VAL 47 -2.024 12.079 1.227 325 HB VAL 47 HB VAL 47 -4.961 11.412 0.995 326 HG11 VAL 47 1HG1 VAL 47 -4.178 9.376 0.524 327 HG12 VAL 47 2HG1 VAL 47 -2.525 9.826 0.949 328 HG13 VAL 47 3HG1 VAL 47 -3.650 9.310 2.206 329 HG21 VAL 47 3HG2 VAL 47 -4.998 12.262 3.090 330 HG22 VAL 47 1HG2 VAL 47 -4.298 10.697 3.502 331 HG23 VAL 47 2HG2 VAL 47 -3.254 12.104 3.301 332 H ARG 48 H ARG 48 -1.067 11.314 -0.533 333 HA ARG 48 HA ARG 48 -2.372 11.697 -3.127 334 HB2 ARG 48 1HB ARG 48 0.502 10.990 -2.507 335 HB3 ARG 48 2HB ARG 48 -0.151 11.377 -4.093 336 HG2 ARG 48 1HG ARG 48 0.004 13.249 -1.740 337 HG3 ARG 48 2HG ARG 48 1.058 13.262 -3.155 338 HD2 ARG 48 1HD ARG 48 -1.263 13.433 -4.420 339 HD3 ARG 48 2HD ARG 48 -1.775 14.118 -2.878 340 HE ARG 48 HE ARG 48 0.456 15.516 -3.408 341 HH11 ARG 48 1HH1 ARG 48 -2.343 14.760 -5.335 342 HH12 ARG 48 2HH1 ARG 48 -2.255 16.215 -6.271 343 HH21 ARG 48 1HH2 ARG 48 0.583 17.436 -4.633 344 HH22 ARG 48 2HH2 ARG 48 -0.589 17.737 -5.871 345 H GLY 49 H GLY 49 -1.823 9.294 -0.846 346 HA2 GLY 49 1HA GLY 49 -3.144 7.239 -1.886 347 HA3 GLY 49 2HA GLY 49 -1.635 7.119 -2.780 348 H TYR 50 H TYR 50 -1.395 5.018 -1.805 349 HA TYR 50 HA TYR 50 0.038 5.183 0.716 350 HB2 TYR 50 1HB TYR 50 -1.926 2.959 0.597 351 HB3 TYR 50 2HB TYR 50 -1.317 3.851 1.987 352 HD1 TYR 50 2HD TYR 50 -3.638 4.100 -0.903 353 HD2 TYR 50 1HD TYR 50 -2.581 5.583 2.942 354 HE1 TYR 50 2HE TYR 50 -5.716 5.414 -0.845 355 HE2 TYR 50 1HE TYR 50 -4.657 6.900 3.011 356 HH TYR 50 HH TYR 50 -7.226 6.378 1.185 357 H ILE 51 H ILE 51 1.378 3.351 1.126 358 HA ILE 51 HA ILE 51 2.028 1.872 -1.325 359 HB ILE 51 HB ILE 51 3.680 2.409 1.143 360 HG12 ILE 51 1HG1 ILE 51 4.453 3.211 -1.627 361 HG13 ILE 51 2HG1 ILE 51 3.217 4.152 -0.801 362 HG21 ILE 51 1HG2 ILE 51 3.872 0.251 -0.662 363 HG22 ILE 51 2HG2 ILE 51 5.202 1.350 -1.025 364 HG23 ILE 51 3HG2 ILE 51 5.005 0.713 0.608 365 HD11 ILE 51 3HD1 ILE 51 4.931 4.263 1.126 366 HD12 ILE 51 1HD1 ILE 51 6.099 3.803 -0.112 367 HD13 ILE 51 2HD1 ILE 51 5.158 5.285 -0.293 368 H ILE 52 H ILE 52 1.254 -0.121 -1.449 369 HA ILE 52 HA ILE 52 0.650 -1.603 0.995 370 HB ILE 52 HB ILE 52 -0.027 -2.183 -1.889 371 HG12 ILE 52 1HG1 ILE 52 -1.878 -1.506 0.398 372 HG13 ILE 52 2HG1 ILE 52 -1.216 -0.288 -0.686 373 HG21 ILE 52 1HG2 ILE 52 -1.269 -4.075 -1.156 374 HG22 ILE 52 2HG2 ILE 52 0.349 -4.218 -0.470 375 HG23 ILE 52 3HG2 ILE 52 -0.991 -3.677 0.540 376 HD11 ILE 52 3HD1 ILE 52 -2.953 -0.643 -2.004 377 HD12 ILE 52 1HD1 ILE 52 -2.289 -2.239 -2.356 378 HD13 ILE 52 2HD1 ILE 52 -3.460 -2.039 -1.053 379 H GLY 53 H GLY 53 2.473 -2.519 1.781 380 HA2 GLY 53 1HA GLY 53 4.184 -4.015 -0.095 381 HA3 GLY 53 2HA GLY 53 4.682 -3.435 1.487 382 H TYR 54 H TYR 54 3.163 -5.976 -0.281 383 HA TYR 54 HA TYR 54 2.719 -7.474 2.214 384 HB2 TYR 54 1HB TYR 54 1.190 -8.893 0.926 385 HB3 TYR 54 2HB TYR 54 0.709 -7.202 0.831 386 HD1 TYR 54 1HD TYR 54 1.537 -5.892 -1.260 387 HD2 TYR 54 2HD TYR 54 1.398 -10.138 -1.024 388 HE1 TYR 54 1HE TYR 54 1.548 -6.023 -3.716 389 HE2 TYR 54 2HE TYR 54 1.409 -10.281 -3.479 390 HH TYR 54 HH TYR 54 2.187 -7.682 -5.468 391 H GLY 55 H GLY 55 3.259 -9.758 2.208 392 HA2 GLY 55 1HA GLY 55 4.657 -11.131 0.261 393 HA3 GLY 55 2HA GLY 55 5.867 -10.221 1.153 394 H VAL 56 H VAL 56 5.064 -13.178 0.892 395 HA VAL 56 HA VAL 56 4.175 -14.048 3.429 396 HB VAL 56 HB VAL 56 4.118 -15.447 1.372 397 HG11 VAL 56 1HG1 VAL 56 6.028 -16.442 0.457 398 HG12 VAL 56 2HG1 VAL 56 6.502 -14.764 0.731 399 HG13 VAL 56 3HG1 VAL 56 7.024 -16.023 1.851 400 HG21 VAL 56 3HG2 VAL 56 5.363 -16.441 3.906 401 HG22 VAL 56 1HG2 VAL 56 3.721 -16.668 3.303 402 HG23 VAL 56 2HG2 VAL 56 5.061 -17.545 2.564 403 H GLY 57 H GLY 57 5.213 -13.745 5.286 404 HA2 GLY 57 1HA GLY 57 6.934 -14.165 6.822 405 HA3 GLY 57 2HA GLY 57 8.020 -14.497 5.481 406 H SER 58 H SER 58 6.858 -11.839 4.335 407 HA SER 58 HA SER 58 7.862 -9.801 6.055 408 HB2 SER 58 1HB SER 58 9.539 -10.059 3.594 409 HB3 SER 58 2HB SER 58 9.929 -9.314 5.145 410 HG SER 58 HG SER 58 10.626 -11.172 5.861 411 HA PRO 59 HA PRO 59 5.032 -7.735 3.332 412 HB2 PRO 59 1HB PRO 59 5.258 -5.277 4.462 413 HB3 PRO 59 2HB PRO 59 4.330 -6.590 5.196 414 HG2 PRO 59 1HG PRO 59 7.102 -5.649 5.823 415 HG3 PRO 59 2HG PRO 59 5.799 -6.111 6.934 416 HD2 PRO 59 1HD PRO 59 7.844 -7.775 6.313 417 HD3 PRO 59 2HD PRO 59 6.209 -8.365 6.677 418 H TYR 60 H TYR 60 8.177 -7.822 2.999 419 HA TYR 60 HA TYR 60 8.349 -5.456 1.253 420 HB2 TYR 60 1HB TYR 60 10.744 -6.998 2.206 421 HB3 TYR 60 2HB TYR 60 10.653 -5.330 1.653 422 HD1 TYR 60 1HD TYR 60 8.895 -3.893 3.184 423 HD2 TYR 60 2HD TYR 60 11.170 -7.259 4.449 424 HE1 TYR 60 1HE TYR 60 8.725 -3.125 5.515 425 HE2 TYR 60 2HE TYR 60 11.005 -6.501 6.783 426 HH TYR 60 HH TYR 60 9.335 -5.019 8.124 427 H ALA 61 H ALA 61 7.289 -8.260 0.766 428 HA ALA 61 HA ALA 61 9.143 -9.305 -1.210 429 HB1 ALA 61 3HB ALA 61 7.832 -11.217 -1.274 430 HB2 ALA 61 1HB ALA 61 7.658 -10.680 0.397 431 HB3 ALA 61 2HB ALA 61 6.376 -10.359 -0.771 432 H GLU 62 H GLU 62 6.167 -7.481 -1.072 433 HA GLU 62 HA GLU 62 6.424 -6.834 -3.883 434 HB2 GLU 62 1HB GLU 62 4.107 -8.396 -2.777 435 HB3 GLU 62 2HB GLU 62 3.902 -7.346 -4.172 436 HG2 GLU 62 1HG GLU 62 6.007 -8.699 -5.034 437 HG3 GLU 62 2HG GLU 62 5.369 -9.907 -3.920 438 H THR 63 H THR 63 6.100 -4.728 -4.086 439 HA THR 63 HA THR 63 4.399 -3.370 -2.098 440 HB THR 63 HB THR 63 5.873 -1.350 -3.188 441 HG1 THR 63 1HG THR 63 7.693 -2.103 -3.949 442 HG21 THR 63 3HG2 THR 63 5.803 -1.265 -0.916 443 HG22 THR 63 1HG2 THR 63 7.423 -1.939 -1.086 444 HG23 THR 63 2HG2 THR 63 6.059 -3.000 -0.734 445 H VAL 64 H VAL 64 2.804 -2.019 -2.774 446 HA VAL 64 HA VAL 64 2.590 -1.398 -5.628 447 HB VAL 64 HB VAL 64 0.570 -2.914 -4.010 448 HG11 VAL 64 1HG1 VAL 64 0.049 -0.980 -6.232 449 HG12 VAL 64 2HG1 VAL 64 -0.979 -2.398 -6.022 450 HG13 VAL 64 3HG1 VAL 64 -0.833 -1.213 -4.723 451 HG21 VAL 64 3HG2 VAL 64 1.897 -4.320 -5.346 452 HG22 VAL 64 1HG2 VAL 64 0.398 -4.114 -6.253 453 HG23 VAL 64 2HG2 VAL 64 1.841 -3.212 -6.717 454 H ARG 65 H ARG 65 2.499 0.745 -5.698 455 HA ARG 65 HA ARG 65 1.330 2.249 -3.503 456 HB2 ARG 65 1HB ARG 65 3.061 2.885 -5.841 457 HB3 ARG 65 2HB ARG 65 2.060 4.177 -5.190 458 HG2 ARG 65 1HG ARG 65 3.156 4.166 -3.142 459 HG3 ARG 65 2HG ARG 65 3.815 2.549 -3.396 460 HD2 ARG 65 1HD ARG 65 4.599 5.033 -4.918 461 HD3 ARG 65 2HD ARG 65 5.533 4.282 -3.625 462 HE ARG 65 HE ARG 65 6.130 2.560 -5.075 463 HH11 ARG 65 1HH1 ARG 65 3.914 4.780 -6.584 464 HH12 ARG 65 2HH1 ARG 65 4.206 4.187 -8.186 465 HH21 ARG 65 1HH2 ARG 65 6.523 1.771 -7.178 466 HH22 ARG 65 2HH2 ARG 65 5.690 2.474 -8.522 467 H VAL 66 H VAL 66 -0.711 2.898 -3.489 468 HA VAL 66 HA VAL 66 -2.162 3.035 -6.050 469 HB VAL 66 HB VAL 66 -4.217 2.900 -4.467 470 HG11 VAL 66 1HG1 VAL 66 -3.638 1.175 -6.069 471 HG12 VAL 66 2HG1 VAL 66 -2.434 0.516 -4.959 472 HG13 VAL 66 3HG1 VAL 66 -4.148 0.442 -4.548 473 HG21 VAL 66 3HG2 VAL 66 -2.483 1.293 -2.681 474 HG22 VAL 66 1HG2 VAL 66 -2.428 3.046 -2.494 475 HG23 VAL 66 2HG2 VAL 66 -3.960 2.188 -2.324 476 H ASP 67 H ASP 67 -4.272 4.492 -5.615 477 HA ASP 67 HA ASP 67 -3.204 7.140 -5.095 478 HB2 ASP 67 1HB ASP 67 -5.934 6.292 -6.086 479 HB3 ASP 67 2HB ASP 67 -5.331 7.946 -6.028 480 H SER 68 H SER 68 -4.603 8.720 -3.891 481 HA SER 68 HA SER 68 -5.078 7.714 -1.260 482 HB2 SER 68 1HB SER 68 -4.194 9.916 -1.395 483 HB3 SER 68 2HB SER 68 -5.443 10.427 -2.531 484 HG SER 68 HG SER 68 -6.934 10.400 -0.899 485 H LYS 69 H LYS 69 -6.874 7.283 -3.871 486 HA LYS 69 HA LYS 69 -9.461 7.845 -2.610 487 HB2 LYS 69 1HB LYS 69 -10.291 7.054 -4.939 488 HB3 LYS 69 2HB LYS 69 -9.549 8.642 -4.791 489 HG2 LYS 69 1HG LYS 69 -7.499 7.853 -5.714 490 HG3 LYS 69 2HG LYS 69 -8.053 6.179 -5.654 491 HD2 LYS 69 1HD LYS 69 -9.581 6.504 -7.400 492 HD3 LYS 69 2HD LYS 69 -9.523 8.261 -7.241 493 HE2 LYS 69 1HE LYS 69 -7.010 7.954 -7.857 494 HE3 LYS 69 2HE LYS 69 -7.545 6.399 -8.492 495 HZ1 LYS 69 3HZ LYS 69 -7.742 7.773 -10.309 496 HZ2 LYS 69 1HZ LYS 69 -8.243 9.109 -9.400 497 HZ3 LYS 69 2HZ LYS 69 -9.314 7.831 -9.685 498 H GLN 70 H GLN 70 -7.346 5.256 -3.537 499 HA GLN 70 HA GLN 70 -9.241 3.151 -3.490 500 HB2 GLN 70 1HB GLN 70 -6.299 2.915 -2.863 501 HB3 GLN 70 2HB GLN 70 -7.364 1.666 -3.493 502 HG2 GLN 70 1HG GLN 70 -6.349 4.109 -4.913 503 HG3 GLN 70 2HG GLN 70 -6.014 2.419 -5.285 504 HE21 GLN 70 1HE2 GLN 70 -8.782 4.608 -4.909 505 HE22 GLN 70 2HE2 GLN 70 -9.669 3.994 -6.259 506 H ARG 71 H ARG 71 -10.330 2.401 -1.809 507 HA ARG 71 HA ARG 71 -9.274 2.866 0.890 508 HB2 ARG 71 1HB ARG 71 -11.430 3.768 0.771 509 HB3 ARG 71 2HB ARG 71 -12.036 2.435 -0.202 510 HG2 ARG 71 1HG ARG 71 -12.255 1.029 1.625 511 HG3 ARG 71 2HG ARG 71 -11.127 1.967 2.606 512 HD2 ARG 71 1HD ARG 71 -13.199 2.510 3.509 513 HD3 ARG 71 2HD ARG 71 -12.870 3.853 2.416 514 HE ARG 71 HE ARG 71 -14.361 1.766 1.158 515 HH11 ARG 71 1HH1 ARG 71 -14.609 4.536 3.252 516 HH12 ARG 71 2HH1 ARG 71 -16.264 4.854 2.852 517 HH21 ARG 71 1HH2 ARG 71 -16.540 2.174 0.623 518 HH22 ARG 71 2HH2 ARG 71 -17.362 3.509 1.357 519 H TYR 72 H TYR 72 -9.108 0.532 -1.330 520 HA TYR 72 HA TYR 72 -8.428 -1.498 0.521 521 HB2 TYR 72 1HB TYR 72 -10.201 -2.955 0.465 522 HB3 TYR 72 2HB TYR 72 -11.073 -1.430 0.355 523 HD1 TYR 72 1HD TYR 72 -11.965 -0.674 -1.836 524 HD2 TYR 72 2HD TYR 72 -10.206 -4.516 -1.338 525 HE1 TYR 72 1HE TYR 72 -13.005 -1.415 -3.938 526 HE2 TYR 72 2HE TYR 72 -11.240 -5.268 -3.440 527 HH TYR 72 HH TYR 72 -13.704 -3.949 -4.851 528 H TYR 73 H TYR 73 -7.464 -3.308 -0.473 529 HA TYR 73 HA TYR 73 -7.274 -3.268 -3.395 530 HB2 TYR 73 1HB TYR 73 -5.360 -1.966 -2.447 531 HB3 TYR 73 2HB TYR 73 -4.844 -3.420 -1.601 532 HD1 TYR 73 2HD TYR 73 -4.289 -5.480 -3.021 533 HD2 TYR 73 1HD TYR 73 -4.669 -1.566 -4.646 534 HE1 TYR 73 2HE TYR 73 -3.009 -6.183 -5.000 535 HE2 TYR 73 1HE TYR 73 -3.391 -2.258 -6.629 536 HH TYR 73 HH TYR 73 -2.712 -5.518 -7.332 537 H SER 74 H SER 74 -7.644 -5.231 -4.162 538 HA SER 74 HA SER 74 -7.480 -7.527 -2.379 539 HB2 SER 74 1HB SER 74 -8.457 -7.487 -5.238 540 HB3 SER 74 2HB SER 74 -8.787 -8.703 -4.005 541 HG SER 74 HG SER 74 -9.662 -6.611 -2.889 542 H ILE 75 H ILE 75 -5.568 -8.494 -2.226 543 HA ILE 75 HA ILE 75 -3.690 -8.459 -4.434 544 HB ILE 75 HB ILE 75 -3.388 -9.818 -1.755 545 HG12 ILE 75 1HG1 ILE 75 -2.565 -7.037 -2.619 546 HG13 ILE 75 2HG1 ILE 75 -3.811 -7.430 -1.440 547 HG21 ILE 75 1HG2 ILE 75 -0.945 -9.500 -2.294 548 HG22 ILE 75 2HG2 ILE 75 -1.801 -10.679 -3.286 549 HG23 ILE 75 3HG2 ILE 75 -1.447 -9.076 -3.931 550 HD11 ILE 75 3HD1 ILE 75 -2.093 -6.952 -0.040 551 HD12 ILE 75 1HD1 ILE 75 -1.801 -8.676 -0.269 552 HD13 ILE 75 2HD1 ILE 75 -0.863 -7.494 -1.181 553 H GLU 76 H GLU 76 -3.739 -9.940 -5.979 554 HA GLU 76 HA GLU 76 -4.703 -12.644 -5.309 555 HB2 GLU 76 1HB GLU 76 -4.773 -11.306 -8.018 556 HB3 GLU 76 2HB GLU 76 -5.465 -12.867 -7.596 557 HG2 GLU 76 1HG GLU 76 -6.794 -11.413 -5.844 558 HG3 GLU 76 2HG GLU 76 -6.446 -10.131 -7.002 559 H ARG 77 H ARG 77 -3.852 -14.288 -7.021 560 HA ARG 77 HA ARG 77 -2.102 -15.416 -7.946 561 HB2 ARG 77 1HB ARG 77 -0.623 -12.784 -8.011 562 HB3 ARG 77 2HB ARG 77 -0.302 -14.214 -8.983 563 HG2 ARG 77 1HG ARG 77 -2.803 -12.544 -9.142 564 HG3 ARG 77 2HG ARG 77 -1.428 -12.429 -10.243 565 HD2 ARG 77 1HD ARG 77 -2.879 -15.017 -9.788 566 HD3 ARG 77 2HD ARG 77 -3.436 -13.840 -10.976 567 HE ARG 77 HE ARG 77 -1.194 -15.599 -11.215 568 HH11 ARG 77 1HH1 ARG 77 -2.482 -12.515 -12.189 569 HH12 ARG 77 2HH1 ARG 77 -1.556 -12.443 -13.652 570 HH21 ARG 77 1HH2 ARG 77 0.031 -15.516 -13.138 571 HH22 ARG 77 2HH2 ARG 77 -0.128 -14.151 -14.191 572 H LEU 78 H LEU 78 -2.331 -15.708 -5.322 573 HA LEU 78 HA LEU 78 0.441 -15.571 -4.334 574 HB2 LEU 78 1HB LEU 78 -1.958 -15.538 -2.534 575 HB3 LEU 78 2HB LEU 78 -0.289 -15.124 -2.149 576 HG LEU 78 HG LEU 78 -2.069 -13.485 -3.948 577 HD11 LEU 78 1HD1 LEU 78 -3.026 -12.613 -2.152 578 HD12 LEU 78 2HD1 LEU 78 -1.444 -12.180 -1.503 579 HD13 LEU 78 3HD1 LEU 78 -2.149 -13.753 -1.130 580 HD21 LEU 78 3HD2 LEU 78 0.749 -13.389 -3.183 581 HD22 LEU 78 1HD2 LEU 78 -0.110 -11.870 -2.929 582 HD23 LEU 78 2HD2 LEU 78 -0.092 -12.614 -4.527 583 H GLU 79 H GLU 79 0.400 -17.125 -2.187 584 HA GLU 79 HA GLU 79 -0.335 -19.749 -3.274 585 HB2 GLU 79 1HB GLU 79 1.299 -20.668 -1.699 586 HB3 GLU 79 2HB GLU 79 2.028 -19.442 -2.727 587 HG2 GLU 79 1HG GLU 79 1.572 -17.819 -0.809 588 HG3 GLU 79 2HG GLU 79 1.298 -19.258 0.171 589 H SER 80 H SER 80 -0.603 -21.389 -1.284 590 HA SER 80 HA SER 80 -2.640 -20.215 0.494 591 HB2 SER 80 1HB SER 80 -2.680 -22.727 -1.133 592 HB3 SER 80 2HB SER 80 -3.555 -22.688 0.398 593 HG SER 80 HG SER 80 -4.312 -20.523 -0.656 594 H SER 81 H SER 81 -2.585 -20.756 2.621 595 HA SER 81 HA SER 81 -1.879 -21.679 4.589 596 HB2 SER 81 1HB SER 81 -1.930 -23.845 3.151 597 HB3 SER 81 2HB SER 81 -0.176 -23.665 3.107 598 HG SER 81 HG SER 81 -1.430 -24.869 4.945 599 H SER 82 H SER 82 -0.670 -19.445 3.846 600 HA SER 82 HA SER 82 2.013 -19.776 4.901 601 HB2 SER 82 1HB SER 82 1.718 -18.189 2.361 602 HB3 SER 82 2HB SER 82 3.189 -18.806 3.112 603 HG SER 82 HG SER 82 2.706 -20.829 2.416 604 H HIS 83 H HIS 83 2.645 -18.076 6.121 605 HA HIS 83 HA HIS 83 0.713 -16.085 6.778 606 HB2 HIS 83 1HB HIS 83 2.313 -17.045 8.421 607 HB3 HIS 83 2HB HIS 83 3.627 -16.228 7.581 608 HD1 HIS 83 1HD HIS 83 3.045 -15.628 10.537 609 HD2 HIS 83 2HD HIS 83 1.493 -13.437 7.366 610 HE1 HIS 83 1HE HIS 83 2.482 -13.370 11.491 611 HE2 HIS 83 2HE HIS 83 1.466 -12.091 9.574 612 H TYR 84 H TYR 84 0.306 -14.348 5.593 613 HA TYR 84 HA TYR 84 2.499 -13.152 4.035 614 HB2 TYR 84 1HB TYR 84 -0.406 -13.499 3.537 615 HB3 TYR 84 2HB TYR 84 0.315 -11.995 2.973 616 HD1 TYR 84 1HD TYR 84 1.130 -15.649 2.943 617 HD2 TYR 84 2HD TYR 84 1.052 -11.978 0.794 618 HE1 TYR 84 1HE TYR 84 1.967 -16.809 0.942 619 HE2 TYR 84 2HE TYR 84 1.888 -13.128 -1.213 620 HH TYR 84 HH TYR 84 1.914 -15.435 -2.136 621 H VAL 85 H VAL 85 3.369 -11.461 5.028 622 HA VAL 85 HA VAL 85 1.888 -9.897 6.948 623 HB VAL 85 HB VAL 85 4.644 -9.295 5.884 624 HG11 VAL 85 1HG1 VAL 85 4.904 -8.342 8.195 625 HG12 VAL 85 2HG1 VAL 85 3.761 -7.489 7.156 626 HG13 VAL 85 3HG1 VAL 85 3.170 -8.579 8.411 627 HG21 VAL 85 3HG2 VAL 85 4.997 -11.451 6.607 628 HG22 VAL 85 1HG2 VAL 85 5.278 -10.547 8.095 629 HG23 VAL 85 2HG2 VAL 85 3.735 -11.361 7.835 630 H ILE 86 H ILE 86 0.796 -8.090 6.552 631 HA ILE 86 HA ILE 86 1.251 -6.718 3.983 632 HB ILE 86 HB ILE 86 -1.302 -6.736 5.594 633 HG12 ILE 86 1HG1 ILE 86 -0.980 -8.106 2.950 634 HG13 ILE 86 2HG1 ILE 86 -0.462 -8.929 4.417 635 HG21 ILE 86 1HG2 ILE 86 -1.944 -6.045 3.037 636 HG22 ILE 86 2HG2 ILE 86 -1.679 -4.907 4.357 637 HG23 ILE 86 3HG2 ILE 86 -0.369 -5.276 3.236 638 HD11 ILE 86 3HD1 ILE 86 -3.220 -8.019 3.671 639 HD12 ILE 86 1HD1 ILE 86 -2.653 -9.656 3.999 640 HD13 ILE 86 2HD1 ILE 86 -2.784 -8.488 5.314 641 H SER 87 H SER 87 2.070 -4.744 4.112 642 HA SER 87 HA SER 87 1.646 -3.203 6.589 643 HB2 SER 87 1HB SER 87 3.858 -2.240 6.325 644 HB3 SER 87 2HB SER 87 3.993 -3.998 6.307 645 HG SER 87 HG SER 87 3.651 -2.731 3.854 646 H LEU 88 H LEU 88 0.226 -1.646 6.162 647 HA LEU 88 HA LEU 88 0.340 -0.296 3.553 648 HB2 LEU 88 1HB LEU 88 -1.813 -1.154 3.868 649 HB3 LEU 88 2HB LEU 88 -1.847 -0.683 5.566 650 HG LEU 88 HG LEU 88 -1.804 1.740 4.630 651 HD11 LEU 88 1HD1 LEU 88 -1.871 1.997 2.432 652 HD12 LEU 88 2HD1 LEU 88 -3.374 1.078 2.360 653 HD13 LEU 88 3HD1 LEU 88 -1.826 0.246 2.221 654 HD21 LEU 88 3HD2 LEU 88 -3.684 0.478 5.792 655 HD22 LEU 88 1HD2 LEU 88 -4.326 0.172 4.178 656 HD23 LEU 88 2HD2 LEU 88 -4.148 1.829 4.756 657 H LYS 89 H LYS 89 0.843 1.809 3.406 658 HA LYS 89 HA LYS 89 0.757 3.497 5.784 659 HB2 LYS 89 1HB LYS 89 3.009 4.127 5.744 660 HB3 LYS 89 2HB LYS 89 3.062 2.385 5.509 661 HG2 LYS 89 1HG LYS 89 3.458 2.642 3.168 662 HG3 LYS 89 2HG LYS 89 3.178 4.382 3.261 663 HD2 LYS 89 1HD LYS 89 5.458 4.377 3.314 664 HD3 LYS 89 2HD LYS 89 5.138 4.221 5.043 665 HE2 LYS 89 1HE LYS 89 6.656 2.532 4.756 666 HE3 LYS 89 2HE LYS 89 5.154 1.652 4.477 667 HZ1 LYS 89 3HZ LYS 89 7.318 2.122 2.693 668 HZ2 LYS 89 1HZ LYS 89 5.862 2.667 2.027 669 HZ3 LYS 89 2HZ LYS 89 6.011 1.061 2.534 670 H ALA 90 H ALA 90 0.390 5.635 5.354 671 HA ALA 90 HA ALA 90 -0.492 6.273 2.683 672 HB1 ALA 90 3HB ALA 90 -0.419 7.985 5.166 673 HB2 ALA 90 1HB ALA 90 -1.239 8.384 3.656 674 HB3 ALA 90 2HB ALA 90 -1.784 7.010 4.619 675 H PHE 91 H PHE 91 0.289 7.965 1.382 676 HA PHE 91 HA PHE 91 2.861 9.148 2.114 677 HB2 PHE 91 1HB PHE 91 3.916 8.521 0.039 678 HB3 PHE 91 2HB PHE 91 3.313 7.061 0.817 679 HD1 PHE 91 1HD PHE 91 2.460 9.572 -1.782 680 HD2 PHE 91 2HD PHE 91 1.924 5.604 -0.339 681 HE1 PHE 91 1HE PHE 91 1.228 8.996 -3.833 682 HE2 PHE 91 2HE PHE 91 0.692 5.021 -2.388 683 HZ PHE 91 HZ PHE 91 0.344 6.718 -4.138 684 H ASN 92 H ASN 92 3.484 10.935 0.677 685 HA ASN 92 HA ASN 92 1.576 12.026 -1.151 686 HB2 ASN 92 1HB ASN 92 0.888 13.961 0.078 687 HB3 ASN 92 2HB ASN 92 0.563 12.560 1.095 688 HD21 ASN 92 1HD2 ASN 92 0.559 14.662 2.510 689 HD22 ASN 92 2HD2 ASN 92 2.037 14.949 3.356 690 H ASN 93 H ASN 93 2.257 14.569 -1.386 691 HA ASN 93 HA ASN 93 4.721 14.576 -2.640 692 HB2 ASN 93 1HB ASN 93 2.877 16.703 -1.659 693 HB3 ASN 93 2HB ASN 93 4.502 17.183 -2.141 694 HD21 ASN 93 1HD2 ASN 93 2.318 14.718 -3.436 695 HD22 ASN 93 2HD2 ASN 93 2.261 15.362 -5.038 696 H ALA 94 H ALA 94 4.003 14.823 0.706 697 HA ALA 94 HA ALA 94 6.515 16.058 1.432 698 HB1 ALA 94 3HB ALA 94 4.031 15.731 2.678 699 HB2 ALA 94 1HB ALA 94 5.177 14.800 3.642 700 HB3 ALA 94 2HB ALA 94 5.468 16.513 3.336 701 H GLY 95 H GLY 95 5.219 12.853 1.073 702 HA2 GLY 95 1HA GLY 95 7.173 11.249 0.682 703 HA3 GLY 95 2HA GLY 95 7.646 11.721 2.307 704 H GLU 96 H GLU 96 7.386 9.864 3.420 705 HA GLU 96 HA GLU 96 4.751 8.557 3.273 706 HB2 GLU 96 1HB GLU 96 7.290 7.301 4.307 707 HB3 GLU 96 2HB GLU 96 5.781 6.499 3.896 708 HG2 GLU 96 1HG GLU 96 6.146 6.710 1.608 709 HG3 GLU 96 2HG GLU 96 7.355 7.975 1.823 710 H GLY 97 H GLY 97 3.779 7.835 5.225 711 HA2 GLY 97 1HA GLY 97 4.765 9.269 7.614 712 HA3 GLY 97 2HA GLY 97 3.059 9.069 7.240 713 H VAL 98 H VAL 98 3.656 8.325 9.668 714 HA VAL 98 HA VAL 98 4.757 6.018 10.437 715 HB VAL 98 HB VAL 98 3.481 7.321 12.007 716 HG11 VAL 98 1HG1 VAL 98 0.824 6.566 11.676 717 HG12 VAL 98 2HG1 VAL 98 1.521 8.156 11.361 718 HG13 VAL 98 3HG1 VAL 98 1.380 6.978 10.055 719 HG21 VAL 98 3HG2 VAL 98 2.450 5.578 13.278 720 HG22 VAL 98 1HG2 VAL 98 2.192 4.603 11.832 721 HG23 VAL 98 2HG2 VAL 98 3.828 4.879 12.429 722 HA PRO 99 HA PRO 99 2.885 3.165 7.470 723 HB2 PRO 99 1HB PRO 99 4.732 1.214 7.860 724 HB3 PRO 99 2HB PRO 99 5.015 2.609 6.812 725 HG2 PRO 99 1HG PRO 99 5.906 2.147 9.632 726 HG3 PRO 99 2HG PRO 99 6.815 2.825 8.268 727 HD2 PRO 99 1HD PRO 99 5.702 4.374 10.191 728 HD3 PRO 99 2HD PRO 99 5.861 4.910 8.506 729 H LEU 100 H LEU 100 1.427 1.577 7.810 730 HA LEU 100 HA LEU 100 1.202 0.515 10.542 731 HB2 LEU 100 1HB LEU 100 -0.673 1.862 9.339 732 HB3 LEU 100 2HB LEU 100 -0.972 0.342 8.497 733 HG LEU 100 HG LEU 100 -1.124 -0.639 10.912 734 HD11 LEU 100 1HD1 LEU 100 -0.367 1.386 12.051 735 HD12 LEU 100 2HD1 LEU 100 -2.002 0.942 12.541 736 HD13 LEU 100 3HD1 LEU 100 -1.751 2.268 11.406 737 HD21 LEU 100 3HD2 LEU 100 -3.315 -0.767 10.489 738 HD22 LEU 100 1HD2 LEU 100 -2.948 0.142 9.022 739 HD23 LEU 100 2HD2 LEU 100 -3.506 0.987 10.467 740 H TYR 101 H TYR 101 1.661 -1.550 10.882 741 HA TYR 101 HA TYR 101 1.982 -3.325 8.580 742 HB2 TYR 101 1HB TYR 101 2.993 -3.358 11.404 743 HB3 TYR 101 2HB TYR 101 2.970 -4.843 10.459 744 HD1 TYR 101 1HD TYR 101 4.185 -1.321 10.316 745 HD2 TYR 101 2HD TYR 101 4.763 -5.348 9.069 746 HE1 TYR 101 1HE TYR 101 6.324 -0.687 9.279 747 HE2 TYR 101 2HE TYR 101 6.904 -4.725 8.030 748 HH TYR 101 HH TYR 101 8.577 -3.022 8.140 749 H GLU 102 H GLU 102 1.259 -5.587 8.791 750 HA GLU 102 HA GLU 102 -0.840 -6.188 10.665 751 HB2 GLU 102 1HB GLU 102 -1.761 -4.775 8.614 752 HB3 GLU 102 2HB GLU 102 -1.730 -6.345 7.824 753 HG2 GLU 102 1HG GLU 102 -3.899 -5.624 8.940 754 HG3 GLU 102 2HG GLU 102 -3.305 -7.248 9.281 755 H SER 103 H SER 103 -1.929 -8.359 9.939 756 HA SER 103 HA SER 103 0.059 -10.084 8.636 757 HB2 SER 103 1HB SER 103 -0.358 -11.812 10.398 758 HB3 SER 103 2HB SER 103 0.451 -10.367 11.005 759 HG SER 103 HG SER 103 -1.785 -11.438 11.880 760 H ALA 104 H ALA 104 -0.764 -11.858 7.545 761 HA ALA 104 HA ALA 104 -3.557 -12.541 7.689 762 HB1 ALA 104 3HB ALA 104 -2.677 -11.607 4.992 763 HB2 ALA 104 1HB ALA 104 -4.306 -11.781 5.644 764 HB3 ALA 104 2HB ALA 104 -3.283 -10.445 6.172 765 H THR 105 H THR 105 -3.238 -14.676 7.857 766 HA THR 105 HA THR 105 -1.247 -16.006 6.200 767 HB THR 105 HB THR 105 -3.083 -17.235 8.263 768 HG1 THR 105 1HG THR 105 -0.463 -16.142 8.490 769 HG21 THR 105 3HG2 THR 105 -0.418 -18.324 7.481 770 HG22 THR 105 1HG2 THR 105 -1.798 -18.607 6.422 771 HG23 THR 105 2HG2 THR 105 -1.840 -19.165 8.095 772 H THR 106 H THR 106 -1.827 -16.549 4.203 773 HA THR 106 HA THR 106 -4.361 -16.666 3.137 774 HB THR 106 HB THR 106 -3.323 -18.280 1.421 775 HG1 THR 106 1HG THR 106 -1.213 -18.746 1.639 776 HG21 THR 106 3HG2 THR 106 -2.372 -16.503 0.273 777 HG22 THR 106 1HG2 THR 106 -1.695 -15.786 1.735 778 HG23 THR 106 2HG2 THR 106 -3.427 -15.677 1.419 779 H ARG 107 H ARG 107 -5.740 -18.407 2.525 780 HA ARG 107 HA ARG 107 -5.985 -20.409 4.580 781 HB2 ARG 107 1HB ARG 107 -7.654 -20.299 2.083 782 HB3 ARG 107 2HB ARG 107 -8.104 -20.877 3.682 783 HG2 ARG 107 1HG ARG 107 -7.514 -17.996 3.046 784 HG3 ARG 107 2HG ARG 107 -9.130 -18.705 3.031 785 HD2 ARG 107 1HD ARG 107 -7.299 -18.782 5.421 786 HD3 ARG 107 2HD ARG 107 -8.490 -17.510 5.150 787 HE ARG 107 HE ARG 107 -9.931 -19.810 4.972 788 HH11 ARG 107 1HH1 ARG 107 -7.793 -18.453 7.361 789 HH12 ARG 107 2HH1 ARG 107 -8.602 -19.200 8.698 790 HH21 ARG 107 1HH2 ARG 107 -11.004 -20.800 6.724 791 HH22 ARG 107 2HH2 ARG 107 -10.427 -20.536 8.335 792 H SER 108 H SER 108 -6.626 -22.704 3.792 793 HA SER 108 HA SER 108 -4.427 -23.638 2.100 794 HB2 SER 108 1HB SER 108 -5.086 -24.533 4.508 795 HB3 SER 108 2HB SER 108 -6.212 -25.523 3.579 796 HG SER 108 HG SER 108 -3.996 -25.751 2.291 797 H ILE 109 H ILE 109 -4.859 -25.466 0.624 798 HA ILE 109 HA ILE 109 -7.422 -25.061 -0.756 799 HB ILE 109 HB ILE 109 -4.794 -26.130 -1.786 800 HG12 ILE 109 1HG1 ILE 109 -6.245 -23.530 -1.977 801 HG13 ILE 109 2HG1 ILE 109 -4.522 -23.841 -1.803 802 HG21 ILE 109 1HG2 ILE 109 -5.830 -26.364 -3.941 803 HG22 ILE 109 2HG2 ILE 109 -6.757 -27.291 -2.762 804 HG23 ILE 109 3HG2 ILE 109 -7.355 -25.730 -3.323 805 HD11 ILE 109 3HD1 ILE 109 -6.174 -24.096 -4.301 806 HD12 ILE 109 1HD1 ILE 109 -4.918 -22.906 -3.960 807 HD13 ILE 109 2HD1 ILE 109 -4.491 -24.606 -4.165 808 H THR 110 H THR 110 -8.896 -26.609 -0.652 809 HA THR 110 HA THR 110 -8.014 -29.356 -0.042 810 HB THR 110 HB THR 110 -10.347 -29.656 0.915 811 HG1 THR 110 1HG THR 110 -10.857 -27.403 -0.101 812 HG21 THR 110 3HG2 THR 110 -8.119 -28.105 2.088 813 HG22 THR 110 1HG2 THR 110 -8.872 -29.601 2.639 814 HG23 THR 110 2HG2 THR 110 -9.652 -28.052 2.958 815 H SER 111 H SER 111 -8.842 -31.030 -1.225 816 HA SER 111 HA SER 111 -10.031 -30.334 -3.765 817 HB2 SER 111 1HB SER 111 -8.248 -32.012 -3.683 818 HB3 SER 111 2HB SER 111 -9.233 -33.026 -2.629 819 HG SER 111 HG SER 111 -10.357 -32.230 -5.049 820 H GLY 112 H GLY 112 -10.898 -32.514 -1.075 821 HA2 GLY 112 1HA GLY 112 -13.657 -31.790 -1.217 822 HA3 GLY 112 2HA GLY 112 -13.368 -33.358 -1.956 823 HA PRO 113 HA PRO 113 -14.029 -34.973 2.108 824 HB2 PRO 113 1HB PRO 113 -13.339 -37.540 1.561 825 HB3 PRO 113 2HB PRO 113 -14.877 -36.831 1.057 826 HG2 PRO 113 1HG PRO 113 -12.371 -37.240 -0.528 827 HG3 PRO 113 2HG PRO 113 -14.055 -37.522 -1.006 828 HD2 PRO 113 1HD PRO 113 -12.682 -35.310 -1.748 829 HD3 PRO 113 2HD PRO 113 -14.433 -35.294 -1.456 830 H SER 114 H SER 114 -11.030 -35.327 0.329 831 HA SER 114 HA SER 114 -9.336 -36.583 2.020 832 HB2 SER 114 1HB SER 114 -7.536 -35.330 1.075 833 HB3 SER 114 2HB SER 114 -8.765 -35.460 -0.183 834 HG SER 114 HG SER 114 -9.485 -33.337 0.554 835 H SER 115 H SER 115 -10.375 -33.204 2.307 836 HA SER 115 HA SER 115 -8.906 -32.159 4.270 837 HB2 SER 115 1HB SER 115 -10.746 -30.828 4.936 838 HB3 SER 115 2HB SER 115 -11.072 -31.239 3.252 839 HG SER 115 HG SER 115 -12.232 -33.133 4.383 840 H GLY 116 H GLY 116 -8.367 -32.529 6.337 841 HA2 GLY 116 1HA GLY 116 -8.359 -33.449 8.447 842 HA3 GLY 116 2HA GLY 116 -10.029 -33.927 8.181 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.986 29.418 -12.408 2 HA2 GLY 1 1HA GLY 1 -7.556 31.242 -11.227 3 HA3 GLY 1 2HA GLY 1 -9.123 31.722 -10.592 4 H SER 2 H SER 2 -10.140 30.452 -9.043 5 HA SER 2 HA SER 2 -8.354 28.870 -7.438 6 HB2 SER 2 1HB SER 2 -11.207 29.776 -7.150 7 HB3 SER 2 2HB SER 2 -10.532 28.571 -6.053 8 HG SER 2 HG SER 2 -8.798 30.168 -5.715 9 H SER 3 H SER 3 -8.833 26.702 -6.696 10 HA SER 3 HA SER 3 -10.211 25.105 -8.754 11 HB2 SER 3 1HB SER 3 -8.653 23.294 -8.268 12 HB3 SER 3 2HB SER 3 -7.756 24.756 -8.676 13 HG SER 3 HG SER 3 -6.942 23.655 -6.807 14 H GLY 4 H GLY 4 -10.958 22.926 -7.906 15 HA2 GLY 4 1HA GLY 4 -11.470 22.503 -5.171 16 HA3 GLY 4 2HA GLY 4 -12.859 23.312 -5.882 17 H SER 5 H SER 5 -13.424 22.248 -8.147 18 HA SER 5 HA SER 5 -14.619 19.836 -7.690 19 HB2 SER 5 1HB SER 5 -14.942 19.635 -10.054 20 HB3 SER 5 2HB SER 5 -14.956 21.359 -9.683 21 HG SER 5 HG SER 5 -13.500 20.248 -11.470 22 H SER 6 H SER 6 -11.431 20.348 -9.174 23 HA SER 6 HA SER 6 -10.835 17.508 -8.657 24 HB2 SER 6 1HB SER 6 -9.268 17.597 -10.551 25 HB3 SER 6 2HB SER 6 -10.903 18.013 -11.062 26 HG SER 6 HG SER 6 -8.682 19.713 -10.679 27 H GLY 7 H GLY 7 -9.944 17.783 -6.625 28 HA2 GLY 7 1HA GLY 7 -7.740 17.812 -5.615 29 HA3 GLY 7 2HA GLY 7 -7.366 19.218 -6.602 30 HA PRO 8 HA PRO 8 -10.276 20.549 -2.928 31 HB2 PRO 8 1HB PRO 8 -10.120 18.922 -0.761 32 HB3 PRO 8 2HB PRO 8 -11.329 18.714 -2.033 33 HG2 PRO 8 1HG PRO 8 -8.742 17.265 -1.623 34 HG3 PRO 8 2HG PRO 8 -10.328 16.616 -2.078 35 HD2 PRO 8 1HD PRO 8 -8.361 17.054 -3.886 36 HD3 PRO 8 2HD PRO 8 -10.082 17.220 -4.288 37 H GLU 9 H GLU 9 -7.085 19.609 -3.126 38 HA GLU 9 HA GLU 9 -5.955 20.268 -0.680 39 HB2 GLU 9 1HB GLU 9 -4.869 20.659 -3.471 40 HB3 GLU 9 2HB GLU 9 -3.909 20.851 -2.011 41 HG2 GLU 9 1HG GLU 9 -4.168 18.548 -1.450 42 HG3 GLU 9 2HG GLU 9 -5.341 18.312 -2.744 43 H ASN 10 H ASN 10 -7.172 22.026 0.158 44 HA ASN 10 HA ASN 10 -6.334 24.632 -0.927 45 HB2 ASN 10 1HB ASN 10 -9.054 23.712 -0.072 46 HB3 ASN 10 2HB ASN 10 -8.613 25.406 0.125 47 HD21 ASN 10 1HD2 ASN 10 -9.062 22.815 -2.181 48 HD22 ASN 10 2HD2 ASN 10 -9.269 23.826 -3.566 49 H ASP 11 H ASP 11 -7.842 23.185 1.966 50 HA ASP 11 HA ASP 11 -6.059 24.863 3.608 51 HB2 ASP 11 1HB ASP 11 -8.794 23.788 4.334 52 HB3 ASP 11 2HB ASP 11 -7.774 24.797 5.357 53 H LEU 12 H LEU 12 -5.190 22.405 2.604 54 HA LEU 12 HA LEU 12 -5.342 20.604 4.921 55 HB2 LEU 12 1HB LEU 12 -4.294 20.027 2.155 56 HB3 LEU 12 2HB LEU 12 -4.538 18.860 3.454 57 HG LEU 12 HG LEU 12 -6.826 20.411 2.276 58 HD11 LEU 12 1HD1 LEU 12 -6.399 17.647 1.364 59 HD12 LEU 12 2HD1 LEU 12 -5.285 18.847 0.709 60 HD13 LEU 12 3HD1 LEU 12 -7.023 19.050 0.496 61 HD21 LEU 12 3HD2 LEU 12 -7.661 17.902 3.024 62 HD22 LEU 12 1HD2 LEU 12 -7.840 19.377 3.974 63 HD23 LEU 12 2HD2 LEU 12 -6.467 18.307 4.258 64 H ASP 13 H ASP 13 -3.199 19.262 5.122 65 HA ASP 13 HA ASP 13 -0.943 21.158 5.062 66 HB2 ASP 13 1HB ASP 13 -1.838 20.732 7.356 67 HB3 ASP 13 2HB ASP 13 -1.438 19.028 7.151 68 H GLU 14 H GLU 14 -0.045 20.390 3.167 69 HA GLU 14 HA GLU 14 0.464 17.570 2.812 70 HB2 GLU 14 1HB GLU 14 -0.058 19.305 0.974 71 HB3 GLU 14 2HB GLU 14 1.629 19.772 1.128 72 HG2 GLU 14 1HG GLU 14 2.385 17.656 0.417 73 HG3 GLU 14 2HG GLU 14 0.781 16.944 0.590 74 H SER 15 H SER 15 2.272 20.448 3.700 75 HA SER 15 HA SER 15 4.870 19.679 3.446 76 HB2 SER 15 1HB SER 15 3.983 21.857 4.406 77 HB3 SER 15 2HB SER 15 3.840 21.018 5.951 78 HG SER 15 HG SER 15 5.846 22.167 5.659 79 H GLN 16 H GLN 16 2.499 18.282 5.501 80 HA GLN 16 HA GLN 16 4.575 16.693 6.858 81 HB2 GLN 16 1HB GLN 16 3.145 16.438 8.720 82 HB3 GLN 16 2HB GLN 16 3.037 18.136 8.277 83 HG2 GLN 16 1HG GLN 16 0.902 17.873 7.347 84 HG3 GLN 16 2HG GLN 16 1.047 16.116 7.306 85 HE21 GLN 16 1HE2 GLN 16 -0.385 18.601 8.864 86 HE22 GLN 16 2HE2 GLN 16 -0.684 17.863 10.396 87 H VAL 17 H VAL 17 4.489 14.494 6.783 88 HA VAL 17 HA VAL 17 3.131 13.269 4.637 89 HB VAL 17 HB VAL 17 3.901 11.121 5.639 90 HG11 VAL 17 1HG1 VAL 17 5.557 11.771 4.261 91 HG12 VAL 17 2HG1 VAL 17 5.621 13.400 4.934 92 HG13 VAL 17 3HG1 VAL 17 6.432 12.071 5.762 93 HG21 VAL 17 3HG2 VAL 17 5.612 11.597 7.592 94 HG22 VAL 17 1HG2 VAL 17 4.519 12.944 7.906 95 HG23 VAL 17 2HG2 VAL 17 3.907 11.290 7.921 96 HA PRO 18 HA PRO 18 -0.807 12.273 6.318 97 HB2 PRO 18 1HB PRO 18 -1.370 10.021 4.911 98 HB3 PRO 18 2HB PRO 18 -1.400 11.636 4.192 99 HG2 PRO 18 1HG PRO 18 0.745 9.550 4.078 100 HG3 PRO 18 2HG PRO 18 0.128 10.592 2.783 101 HD2 PRO 18 1HD PRO 18 2.437 11.115 4.097 102 HD3 PRO 18 2HD PRO 18 1.387 12.399 3.464 103 H ASP 19 H ASP 19 -1.269 11.422 8.238 104 HA ASP 19 HA ASP 19 0.319 9.525 9.553 105 HB2 ASP 19 1HB ASP 19 -2.370 10.728 10.057 106 HB3 ASP 19 2HB ASP 19 -1.872 9.338 11.017 107 H GLN 20 H GLN 20 -0.594 7.441 10.486 108 HA GLN 20 HA GLN 20 -1.195 5.685 8.339 109 HB2 GLN 20 1HB GLN 20 -0.929 3.952 9.861 110 HB3 GLN 20 2HB GLN 20 0.066 5.221 10.561 111 HG2 GLN 20 1HG GLN 20 -2.016 5.819 11.934 112 HG3 GLN 20 2HG GLN 20 -2.615 4.233 11.448 113 HE21 GLN 20 1HE2 GLN 20 0.383 3.473 11.422 114 HE22 GLN 20 2HE2 GLN 20 0.697 3.088 13.076 115 HA PRO 21 HA PRO 21 -5.579 5.573 8.284 116 HB2 PRO 21 1HB PRO 21 -6.065 2.946 7.802 117 HB3 PRO 21 2HB PRO 21 -5.413 4.043 6.578 118 HG2 PRO 21 1HG PRO 21 -3.977 2.070 8.313 119 HG3 PRO 21 2HG PRO 21 -3.755 2.412 6.587 120 HD2 PRO 21 1HD PRO 21 -2.108 3.405 8.494 121 HD3 PRO 21 2HD PRO 21 -2.473 4.284 6.996 122 H SER 22 H SER 22 -6.963 5.723 9.924 123 HA SER 22 HA SER 22 -6.735 5.079 12.482 124 HB2 SER 22 1HB SER 22 -9.134 5.030 12.709 125 HB3 SER 22 2HB SER 22 -8.736 6.171 11.425 126 HG SER 22 HG SER 22 -9.833 3.584 11.227 127 H SER 23 H SER 23 -7.579 2.771 9.967 128 HA SER 23 HA SER 23 -6.682 0.578 11.582 129 HB2 SER 23 1HB SER 23 -9.604 0.620 10.793 130 HB3 SER 23 2HB SER 23 -8.765 -0.665 11.662 131 HG SER 23 HG SER 23 -8.674 0.571 13.441 132 H LEU 24 H LEU 24 -6.416 -1.352 10.391 133 HA LEU 24 HA LEU 24 -6.929 -1.145 7.504 134 HB2 LEU 24 1HB LEU 24 -4.670 -0.612 7.578 135 HB3 LEU 24 2HB LEU 24 -4.352 -1.724 8.908 136 HG LEU 24 HG LEU 24 -4.650 -3.617 7.333 137 HD11 LEU 24 1HD1 LEU 24 -4.990 -3.350 5.066 138 HD12 LEU 24 2HD1 LEU 24 -4.462 -1.667 5.077 139 HD13 LEU 24 3HD1 LEU 24 -6.036 -2.102 5.744 140 HD21 LEU 24 3HD2 LEU 24 -2.438 -3.499 7.238 141 HD22 LEU 24 1HD2 LEU 24 -2.491 -1.754 7.487 142 HD23 LEU 24 2HD2 LEU 24 -2.573 -2.414 5.854 143 H HIS 25 H HIS 25 -8.487 -2.658 7.312 144 HA HIS 25 HA HIS 25 -8.332 -5.172 8.728 145 HB2 HIS 25 1HB HIS 25 -10.540 -4.527 8.541 146 HB3 HIS 25 2HB HIS 25 -10.318 -3.851 6.930 147 HD1 HIS 25 1HD HIS 25 -12.066 -6.455 8.435 148 HD2 HIS 25 2HD HIS 25 -9.597 -6.268 5.098 149 HE1 HIS 25 1HE HIS 25 -12.672 -8.455 7.037 150 HE2 HIS 25 2HE HIS 25 -11.107 -8.368 5.065 151 H VAL 26 H VAL 26 -7.668 -7.092 7.950 152 HA VAL 26 HA VAL 26 -7.156 -7.365 5.076 153 HB VAL 26 HB VAL 26 -4.974 -8.456 5.547 154 HG11 VAL 26 1HG1 VAL 26 -5.597 -5.632 5.756 155 HG12 VAL 26 2HG1 VAL 26 -4.083 -6.041 6.565 156 HG13 VAL 26 3HG1 VAL 26 -4.311 -6.441 4.862 157 HG21 VAL 26 3HG2 VAL 26 -3.917 -7.907 7.767 158 HG22 VAL 26 1HG2 VAL 26 -5.527 -7.462 8.334 159 HG23 VAL 26 2HG2 VAL 26 -5.200 -9.116 7.818 160 H ARG 27 H ARG 27 -8.097 -9.153 4.366 161 HA ARG 27 HA ARG 27 -8.443 -11.401 6.239 162 HB2 ARG 27 1HB ARG 27 -10.249 -10.170 4.236 163 HB3 ARG 27 2HB ARG 27 -10.289 -11.924 4.350 164 HG2 ARG 27 1HG ARG 27 -10.474 -11.373 6.938 165 HG3 ARG 27 2HG ARG 27 -11.153 -9.873 6.302 166 HD2 ARG 27 1HD ARG 27 -12.728 -11.231 4.942 167 HD3 ARG 27 2HD ARG 27 -12.102 -12.678 5.732 168 HE ARG 27 HE ARG 27 -13.007 -10.732 7.612 169 HH11 ARG 27 1HH1 ARG 27 -14.060 -13.248 5.449 170 HH12 ARG 27 2HH1 ARG 27 -15.503 -13.593 6.343 171 HH21 ARG 27 1HH2 ARG 27 -14.904 -11.176 8.798 172 HH22 ARG 27 2HH2 ARG 27 -15.983 -12.413 8.247 173 HA PRO 28 HA PRO 28 -5.595 -13.271 3.290 174 HB2 PRO 28 1HB PRO 28 -5.062 -15.435 4.841 175 HB3 PRO 28 2HB PRO 28 -4.298 -13.861 5.092 176 HG2 PRO 28 1HG PRO 28 -6.620 -15.090 6.528 177 HG3 PRO 28 2HG PRO 28 -5.242 -14.193 7.192 178 HD2 PRO 28 1HD PRO 28 -7.672 -13.061 6.817 179 HD3 PRO 28 2HD PRO 28 -6.159 -12.145 6.664 180 H GLN 29 H GLN 29 -6.650 -14.107 1.582 181 HA GLN 29 HA GLN 29 -8.675 -16.171 1.992 182 HB2 GLN 29 1HB GLN 29 -7.884 -15.017 -0.668 183 HB3 GLN 29 2HB GLN 29 -9.417 -15.736 -0.195 184 HG2 GLN 29 1HG GLN 29 -8.394 -13.162 0.965 185 HG3 GLN 29 2HG GLN 29 -9.399 -13.237 -0.481 186 HE21 GLN 29 1HE2 GLN 29 -10.438 -11.796 1.412 187 HE22 GLN 29 2HE2 GLN 29 -11.696 -12.617 2.265 188 H THR 30 H THR 30 -8.649 -17.874 0.102 189 HA THR 30 HA THR 30 -6.639 -19.680 0.563 190 HB THR 30 HB THR 30 -7.797 -19.626 -2.187 191 HG1 THR 30 1HG THR 30 -9.695 -20.678 -0.925 192 HG21 THR 30 3HG2 THR 30 -6.651 -21.594 -1.839 193 HG22 THR 30 1HG2 THR 30 -8.273 -22.065 -1.333 194 HG23 THR 30 2HG2 THR 30 -7.056 -21.653 -0.124 195 H ASN 31 H ASN 31 -6.904 -17.994 -2.566 196 HA ASN 31 HA ASN 31 -3.960 -17.954 -2.679 197 HB2 ASN 31 1HB ASN 31 -5.907 -18.028 -4.995 198 HB3 ASN 31 2HB ASN 31 -4.150 -18.063 -5.113 199 HD21 ASN 31 1HD2 ASN 31 -3.244 -19.852 -3.511 200 HD22 ASN 31 2HD2 ASN 31 -3.958 -21.408 -3.748 201 H CYS 32 H CYS 32 -6.067 -15.961 -1.688 202 HA CYS 32 HA CYS 32 -4.815 -13.641 -2.917 203 HB2 CYS 32 1HB CYS 32 -7.788 -13.528 -2.656 204 HB3 CYS 32 2HB CYS 32 -6.725 -12.635 -3.737 205 HG CYS 32 HG CYS 32 -6.872 -14.230 -5.766 206 H ILE 33 H ILE 33 -5.703 -11.579 -1.782 207 HA ILE 33 HA ILE 33 -6.581 -11.986 0.942 208 HB ILE 33 HB ILE 33 -3.885 -10.715 0.467 209 HG12 ILE 33 1HG1 ILE 33 -4.602 -13.438 1.571 210 HG13 ILE 33 2HG1 ILE 33 -3.697 -13.102 0.099 211 HG21 ILE 33 1HG2 ILE 33 -3.933 -10.027 2.590 212 HG22 ILE 33 2HG2 ILE 33 -5.668 -10.331 2.521 213 HG23 ILE 33 3HG2 ILE 33 -4.582 -11.564 3.163 214 HD11 ILE 33 3HD1 ILE 33 -1.788 -12.562 1.236 215 HD12 ILE 33 1HD1 ILE 33 -2.658 -12.084 2.693 216 HD13 ILE 33 2HD1 ILE 33 -2.474 -13.792 2.297 217 H ILE 34 H ILE 34 -8.167 -10.531 0.994 218 HA ILE 34 HA ILE 34 -7.888 -7.984 -0.383 219 HB ILE 34 HB ILE 34 -10.200 -9.241 1.090 220 HG12 ILE 34 1HG1 ILE 34 -11.222 -9.215 -1.184 221 HG13 ILE 34 2HG1 ILE 34 -9.699 -8.609 -1.827 222 HG21 ILE 34 1HG2 ILE 34 -10.824 -7.110 1.475 223 HG22 ILE 34 2HG2 ILE 34 -9.757 -6.461 0.231 224 HG23 ILE 34 3HG2 ILE 34 -11.312 -7.160 -0.218 225 HD11 ILE 34 3HD1 ILE 34 -8.585 -10.623 -1.351 226 HD12 ILE 34 1HD1 ILE 34 -9.900 -11.199 -0.328 227 HD13 ILE 34 2HD1 ILE 34 -10.127 -11.080 -2.074 228 H MET 35 H MET 35 -7.592 -6.047 0.571 229 HA MET 35 HA MET 35 -7.654 -5.924 3.509 230 HB2 MET 35 1HB MET 35 -5.675 -4.235 3.135 231 HB3 MET 35 2HB MET 35 -5.368 -5.963 3.234 232 HG2 MET 35 1HG MET 35 -5.180 -6.140 0.865 233 HG3 MET 35 2HG MET 35 -5.730 -4.481 0.646 234 HE1 MET 35 3HE MET 35 -2.869 -2.500 2.375 235 HE2 MET 35 1HE MET 35 -3.773 -2.262 0.880 236 HE3 MET 35 2HE MET 35 -4.617 -2.740 2.353 237 H SER 36 H SER 36 -8.748 -4.244 4.313 238 HA SER 36 HA SER 36 -9.321 -1.970 2.531 239 HB2 SER 36 1HB SER 36 -11.578 -1.856 3.691 240 HB3 SER 36 2HB SER 36 -11.352 -3.220 2.597 241 HG SER 36 HG SER 36 -10.509 -4.017 4.949 242 H TRP 37 H TRP 37 -8.454 -0.189 3.336 243 HA TRP 37 HA TRP 37 -8.264 0.093 6.262 244 HB2 TRP 37 1HB TRP 37 -6.396 1.660 5.827 245 HB3 TRP 37 2HB TRP 37 -6.078 0.045 5.198 246 HD1 TRP 37 HD TRP 37 -6.380 3.642 4.133 247 HE1 TRP 37 1HE TRP 37 -5.904 3.836 1.611 248 HE3 TRP 37 3HE TRP 37 -6.395 -1.324 2.921 249 HZ2 TRP 37 2HZ TRP 37 -5.579 2.111 -0.600 250 HZ3 TRP 37 3HZ TRP 37 -5.994 -1.968 0.581 251 HH2 TRP 37 HH TRP 37 -5.595 -0.285 -1.142 252 H THR 38 H THR 38 -7.898 2.674 6.664 253 HA THR 38 HA THR 38 -10.063 4.090 5.268 254 HB THR 38 HB THR 38 -10.314 5.135 7.753 255 HG1 THR 38 1HG THR 38 -9.707 2.368 8.087 256 HG21 THR 38 3HG2 THR 38 -11.906 2.701 7.457 257 HG22 THR 38 1HG2 THR 38 -11.882 3.707 6.009 258 HG23 THR 38 2HG2 THR 38 -12.421 4.385 7.546 259 HA PRO 39 HA PRO 39 -7.424 7.593 5.117 260 HB2 PRO 39 1HB PRO 39 -9.105 9.657 5.649 261 HB3 PRO 39 2HB PRO 39 -9.147 8.751 4.132 262 HG2 PRO 39 1HG PRO 39 -10.889 8.476 6.551 263 HG3 PRO 39 2HG PRO 39 -11.344 8.462 4.837 264 HD2 PRO 39 1HD PRO 39 -11.092 6.194 6.296 265 HD3 PRO 39 2HD PRO 39 -10.723 6.259 4.560 266 HA PRO 40 HA PRO 40 -5.932 8.865 9.052 267 HB2 PRO 40 1HB PRO 40 -5.122 11.415 8.595 268 HB3 PRO 40 2HB PRO 40 -4.266 10.006 7.957 269 HG2 PRO 40 1HG PRO 40 -6.222 11.812 6.589 270 HG3 PRO 40 2HG PRO 40 -4.695 11.149 5.978 271 HD2 PRO 40 1HD PRO 40 -7.105 10.100 5.325 272 HD3 PRO 40 2HD PRO 40 -5.639 9.108 5.471 273 H LEU 41 H LEU 41 -6.867 9.493 10.896 274 HA LEU 41 HA LEU 41 -9.380 10.502 11.165 275 HB2 LEU 41 1HB LEU 41 -7.000 10.771 12.979 276 HB3 LEU 41 2HB LEU 41 -8.606 11.330 13.443 277 HG LEU 41 HG LEU 41 -8.169 8.489 12.598 278 HD11 LEU 41 1HD1 LEU 41 -7.773 7.881 14.918 279 HD12 LEU 41 2HD1 LEU 41 -7.771 9.583 15.379 280 HD13 LEU 41 3HD1 LEU 41 -6.502 8.952 14.329 281 HD21 LEU 41 3HD2 LEU 41 -10.054 9.514 14.682 282 HD22 LEU 41 1HD2 LEU 41 -10.176 8.073 13.672 283 HD23 LEU 41 2HD2 LEU 41 -10.447 9.667 12.969 284 H ASN 42 H ASN 42 -6.550 12.238 10.287 285 HA ASN 42 HA ASN 42 -7.876 14.814 10.760 286 HB2 ASN 42 1HB ASN 42 -5.363 14.145 11.397 287 HB3 ASN 42 2HB ASN 42 -5.082 14.697 9.749 288 HD21 ASN 42 1HD2 ASN 42 -5.464 16.854 9.224 289 HD22 ASN 42 2HD2 ASN 42 -5.593 18.078 10.437 290 HA PRO 43 HA PRO 43 -8.739 14.363 6.320 291 HB2 PRO 43 1HB PRO 43 -10.805 16.125 6.336 292 HB3 PRO 43 2HB PRO 43 -10.981 14.435 6.820 293 HG2 PRO 43 1HG PRO 43 -10.656 16.871 8.529 294 HG3 PRO 43 2HG PRO 43 -11.747 15.490 8.745 295 HD2 PRO 43 1HD PRO 43 -9.427 15.742 10.118 296 HD3 PRO 43 2HD PRO 43 -10.094 14.165 9.651 297 H ASN 44 H ASN 44 -7.393 16.756 8.184 298 HA ASN 44 HA ASN 44 -7.407 18.806 6.110 299 HB2 ASN 44 1HB ASN 44 -6.008 18.894 8.787 300 HB3 ASN 44 2HB ASN 44 -6.392 20.252 7.735 301 HD21 ASN 44 1HD2 ASN 44 -7.844 17.688 9.670 302 HD22 ASN 44 2HD2 ASN 44 -9.285 18.557 10.065 303 H ILE 45 H ILE 45 -5.844 16.067 6.331 304 HA ILE 45 HA ILE 45 -3.203 17.167 5.635 305 HB ILE 45 HB ILE 45 -3.882 14.333 6.431 306 HG12 ILE 45 1HG1 ILE 45 -4.171 15.780 8.341 307 HG13 ILE 45 2HG1 ILE 45 -2.654 14.909 8.530 308 HG21 ILE 45 1HG2 ILE 45 -1.184 14.748 6.808 309 HG22 ILE 45 2HG2 ILE 45 -1.925 13.881 5.464 310 HG23 ILE 45 3HG2 ILE 45 -1.521 15.589 5.295 311 HD11 ILE 45 3HD1 ILE 45 -1.436 16.883 7.758 312 HD12 ILE 45 1HD1 ILE 45 -2.961 17.753 7.599 313 HD13 ILE 45 2HD1 ILE 45 -2.409 17.222 9.189 314 H VAL 46 H VAL 46 -2.352 16.830 3.658 315 HA VAL 46 HA VAL 46 -4.067 15.884 1.569 316 HB VAL 46 HB VAL 46 -1.161 16.708 1.485 317 HG11 VAL 46 1HG1 VAL 46 -2.143 17.085 -1.027 318 HG12 VAL 46 2HG1 VAL 46 -1.197 15.686 -0.513 319 HG13 VAL 46 3HG1 VAL 46 -2.959 15.598 -0.546 320 HG21 VAL 46 3HG2 VAL 46 -2.902 18.511 0.147 321 HG22 VAL 46 1HG2 VAL 46 -3.550 18.214 1.761 322 HG23 VAL 46 2HG2 VAL 46 -1.898 18.801 1.568 323 H VAL 47 H VAL 47 -4.088 13.963 0.555 324 HA VAL 47 HA VAL 47 -1.984 12.015 1.240 325 HB VAL 47 HB VAL 47 -4.927 11.409 0.914 326 HG11 VAL 47 1HG1 VAL 47 -3.630 9.259 2.112 327 HG12 VAL 47 2HG1 VAL 47 -4.240 9.342 0.458 328 HG13 VAL 47 3HG1 VAL 47 -2.560 9.757 0.802 329 HG21 VAL 47 3HG2 VAL 47 -4.053 12.603 3.050 330 HG22 VAL 47 1HG2 VAL 47 -5.110 11.200 3.211 331 HG23 VAL 47 2HG2 VAL 47 -3.371 11.024 3.439 332 H ARG 48 H ARG 48 -0.908 11.376 -0.496 333 HA ARG 48 HA ARG 48 -2.086 11.729 -3.140 334 HB2 ARG 48 1HB ARG 48 0.720 10.956 -2.319 335 HB3 ARG 48 2HB ARG 48 0.191 11.256 -3.969 336 HG2 ARG 48 1HG ARG 48 0.267 13.256 -1.720 337 HG3 ARG 48 2HG ARG 48 1.358 13.181 -3.105 338 HD2 ARG 48 1HD ARG 48 -0.887 13.338 -4.464 339 HD3 ARG 48 2HD ARG 48 -1.490 14.049 -2.968 340 HE ARG 48 HE ARG 48 0.731 15.475 -3.383 341 HH11 ARG 48 1HH1 ARG 48 -1.870 14.591 -5.521 342 HH12 ARG 48 2HH1 ARG 48 -1.724 16.015 -6.498 343 HH21 ARG 48 1HH2 ARG 48 0.933 17.353 -4.661 344 HH22 ARG 48 2HH2 ARG 48 -0.129 17.585 -6.008 345 H GLY 49 H GLY 49 -1.701 9.290 -0.844 346 HA2 GLY 49 1HA GLY 49 -3.067 7.290 -1.920 347 HA3 GLY 49 2HA GLY 49 -1.555 7.128 -2.799 348 H TYR 50 H TYR 50 -1.649 4.964 -1.748 349 HA TYR 50 HA TYR 50 -0.188 5.075 0.787 350 HB2 TYR 50 1HB TYR 50 -2.186 2.890 0.509 351 HB3 TYR 50 2HB TYR 50 -1.606 3.707 1.956 352 HD1 TYR 50 2HD TYR 50 -3.777 4.194 -1.026 353 HD2 TYR 50 1HD TYR 50 -2.898 5.371 2.967 354 HE1 TYR 50 2HE TYR 50 -5.823 5.557 -0.984 355 HE2 TYR 50 1HE TYR 50 -4.943 6.737 3.020 356 HH TYR 50 HH TYR 50 -6.665 7.576 0.286 357 H ILE 51 H ILE 51 1.366 3.520 1.026 358 HA ILE 51 HA ILE 51 1.987 1.972 -1.366 359 HB ILE 51 HB ILE 51 3.636 2.383 1.131 360 HG12 ILE 51 1HG1 ILE 51 4.084 3.645 -1.569 361 HG13 ILE 51 2HG1 ILE 51 3.105 4.423 -0.329 362 HG21 ILE 51 1HG2 ILE 51 4.971 0.797 0.344 363 HG22 ILE 51 2HG2 ILE 51 3.901 0.559 -1.037 364 HG23 ILE 51 3HG2 ILE 51 5.209 1.739 -1.128 365 HD11 ILE 51 3HD1 ILE 51 5.253 5.358 -0.163 366 HD12 ILE 51 1HD1 ILE 51 5.111 4.234 1.188 367 HD13 ILE 51 2HD1 ILE 51 6.033 3.779 -0.245 368 H ILE 52 H ILE 52 1.146 -0.000 -1.492 369 HA ILE 52 HA ILE 52 0.545 -1.514 0.915 370 HB ILE 52 HB ILE 52 0.028 -2.118 -1.997 371 HG12 ILE 52 1HG1 ILE 52 -1.913 -1.462 0.226 372 HG13 ILE 52 2HG1 ILE 52 -1.293 -0.272 -0.913 373 HG21 ILE 52 1HG2 ILE 52 -1.432 -3.945 -1.074 374 HG22 ILE 52 2HG2 ILE 52 0.303 -4.213 -0.915 375 HG23 ILE 52 3HG2 ILE 52 -0.639 -3.691 0.481 376 HD11 ILE 52 3HD1 ILE 52 -3.491 -2.056 -1.195 377 HD12 ILE 52 1HD1 ILE 52 -2.939 -0.787 -2.289 378 HD13 ILE 52 2HD1 ILE 52 -2.290 -2.421 -2.434 379 H GLY 53 H GLY 53 2.360 -2.364 1.795 380 HA2 GLY 53 1HA GLY 53 4.217 -3.803 0.020 381 HA3 GLY 53 2HA GLY 53 4.595 -3.229 1.637 382 H TYR 54 H TYR 54 3.163 -5.761 -0.249 383 HA TYR 54 HA TYR 54 2.728 -7.332 2.204 384 HB2 TYR 54 1HB TYR 54 1.150 -8.680 0.940 385 HB3 TYR 54 2HB TYR 54 0.710 -6.981 0.811 386 HD1 TYR 54 1HD TYR 54 1.577 -5.733 -1.304 387 HD2 TYR 54 2HD TYR 54 1.322 -9.968 -0.985 388 HE1 TYR 54 1HE TYR 54 1.585 -5.912 -3.757 389 HE2 TYR 54 2HE TYR 54 1.331 -10.159 -3.437 390 HH TYR 54 HH TYR 54 0.565 -8.071 -5.446 391 H GLY 55 H GLY 55 3.321 -9.579 2.170 392 HA2 GLY 55 1HA GLY 55 4.701 -10.868 0.117 393 HA3 GLY 55 2HA GLY 55 5.897 -10.030 1.094 394 H VAL 56 H VAL 56 5.702 -12.854 0.746 395 HA VAL 56 HA VAL 56 4.457 -14.042 3.024 396 HB VAL 56 HB VAL 56 6.573 -15.130 1.162 397 HG11 VAL 56 1HG1 VAL 56 4.821 -16.763 2.970 398 HG12 VAL 56 2HG1 VAL 56 6.284 -17.248 2.112 399 HG13 VAL 56 3HG1 VAL 56 6.393 -16.163 3.498 400 HG21 VAL 56 3HG2 VAL 56 3.587 -15.154 1.165 401 HG22 VAL 56 1HG2 VAL 56 4.708 -14.879 -0.169 402 HG23 VAL 56 2HG2 VAL 56 4.468 -16.509 0.460 403 H GLY 57 H GLY 57 5.135 -13.734 5.039 404 HA2 GLY 57 1HA GLY 57 6.581 -13.905 6.848 405 HA3 GLY 57 2HA GLY 57 7.894 -14.241 5.729 406 H SER 58 H SER 58 7.206 -11.790 4.160 407 HA SER 58 HA SER 58 7.860 -9.651 6.028 408 HB2 SER 58 1HB SER 58 9.597 -9.846 3.605 409 HB3 SER 58 2HB SER 58 9.936 -9.117 5.175 410 HG SER 58 HG SER 58 11.108 -10.979 5.096 411 HA PRO 59 HA PRO 59 5.053 -7.620 3.261 412 HB2 PRO 59 1HB PRO 59 5.244 -5.152 4.375 413 HB3 PRO 59 2HB PRO 59 4.322 -6.469 5.110 414 HG2 PRO 59 1HG PRO 59 7.078 -5.495 5.756 415 HG3 PRO 59 2HG PRO 59 5.770 -5.963 6.858 416 HD2 PRO 59 1HD PRO 59 7.837 -7.610 6.269 417 HD3 PRO 59 2HD PRO 59 6.205 -8.214 6.621 418 H TYR 60 H TYR 60 8.201 -7.679 2.956 419 HA TYR 60 HA TYR 60 8.391 -5.299 1.235 420 HB2 TYR 60 1HB TYR 60 10.753 -6.926 2.135 421 HB3 TYR 60 2HB TYR 60 10.709 -5.251 1.596 422 HD1 TYR 60 1HD TYR 60 9.029 -3.763 3.154 423 HD2 TYR 60 2HD TYR 60 11.176 -7.228 4.373 424 HE1 TYR 60 1HE TYR 60 8.904 -3.010 5.493 425 HE2 TYR 60 2HE TYR 60 11.056 -6.485 6.715 426 HH TYR 60 HH TYR 60 9.858 -5.049 8.133 427 H ALA 61 H ALA 61 7.510 -8.330 0.909 428 HA ALA 61 HA ALA 61 9.232 -9.268 -1.183 429 HB1 ALA 61 3HB ALA 61 7.692 -10.608 0.450 430 HB2 ALA 61 1HB ALA 61 6.472 -10.329 -0.793 431 HB3 ALA 61 2HB ALA 61 7.962 -11.184 -1.194 432 H GLU 62 H GLU 62 6.245 -7.454 -0.998 433 HA GLU 62 HA GLU 62 6.472 -6.816 -3.824 434 HB2 GLU 62 1HB GLU 62 4.072 -8.193 -2.626 435 HB3 GLU 62 2HB GLU 62 3.979 -7.263 -4.115 436 HG2 GLU 62 1HG GLU 62 5.962 -8.806 -4.845 437 HG3 GLU 62 2HG GLU 62 5.327 -9.861 -3.582 438 H THR 63 H THR 63 5.947 -4.752 -4.219 439 HA THR 63 HA THR 63 4.445 -3.290 -2.146 440 HB THR 63 HB THR 63 5.935 -1.326 -3.304 441 HG1 THR 63 1HG THR 63 7.493 -3.709 -3.258 442 HG21 THR 63 3HG2 THR 63 5.925 -1.224 -1.028 443 HG22 THR 63 1HG2 THR 63 7.536 -1.907 -1.247 444 HG23 THR 63 2HG2 THR 63 6.179 -2.959 -0.839 445 H VAL 64 H VAL 64 2.852 -1.938 -2.811 446 HA VAL 64 HA VAL 64 2.596 -1.331 -5.663 447 HB VAL 64 HB VAL 64 0.548 -2.793 -4.016 448 HG11 VAL 64 1HG1 VAL 64 0.093 -0.724 -6.009 449 HG12 VAL 64 2HG1 VAL 64 -0.669 -2.259 -6.431 450 HG13 VAL 64 3HG1 VAL 64 -1.037 -1.485 -4.889 451 HG21 VAL 64 3HG2 VAL 64 1.906 -4.281 -5.230 452 HG22 VAL 64 1HG2 VAL 64 0.436 -4.115 -6.191 453 HG23 VAL 64 2HG2 VAL 64 1.900 -3.251 -6.661 454 H ARG 65 H ARG 65 2.509 0.814 -5.725 455 HA ARG 65 HA ARG 65 1.381 2.319 -3.514 456 HB2 ARG 65 1HB ARG 65 3.065 2.937 -5.884 457 HB3 ARG 65 2HB ARG 65 2.048 4.232 -5.266 458 HG2 ARG 65 1HG ARG 65 3.226 4.426 -3.329 459 HG3 ARG 65 2HG ARG 65 3.703 2.727 -3.319 460 HD2 ARG 65 1HD ARG 65 4.806 4.900 -5.097 461 HD3 ARG 65 2HD ARG 65 5.631 4.132 -3.741 462 HE ARG 65 HE ARG 65 5.326 3.089 -6.400 463 HH11 ARG 65 1HH1 ARG 65 5.837 2.281 -3.053 464 HH12 ARG 65 2HH1 ARG 65 6.604 0.767 -3.400 465 HH21 ARG 65 1HH2 ARG 65 6.335 1.099 -6.871 466 HH22 ARG 65 2HH2 ARG 65 6.888 0.096 -5.573 467 H VAL 66 H VAL 66 -0.753 2.567 -3.455 468 HA VAL 66 HA VAL 66 -2.254 2.784 -5.962 469 HB VAL 66 HB VAL 66 -4.259 2.638 -4.365 470 HG11 VAL 66 1HG1 VAL 66 -2.347 0.331 -4.701 471 HG12 VAL 66 2HG1 VAL 66 -4.027 0.169 -4.186 472 HG13 VAL 66 3HG1 VAL 66 -3.653 0.802 -5.789 473 HG21 VAL 66 3HG2 VAL 66 -3.981 2.218 -2.166 474 HG22 VAL 66 1HG2 VAL 66 -2.541 1.235 -2.429 475 HG23 VAL 66 2HG2 VAL 66 -2.418 2.995 -2.420 476 H ASP 67 H ASP 67 -4.197 4.307 -5.835 477 HA ASP 67 HA ASP 67 -3.198 6.949 -5.339 478 HB2 ASP 67 1HB ASP 67 -6.032 6.226 -6.081 479 HB3 ASP 67 2HB ASP 67 -5.178 7.733 -6.399 480 H SER 68 H SER 68 -4.596 8.581 -4.187 481 HA SER 68 HA SER 68 -4.969 7.720 -1.489 482 HB2 SER 68 1HB SER 68 -5.430 10.021 -0.991 483 HB3 SER 68 2HB SER 68 -4.139 9.999 -2.192 484 HG SER 68 HG SER 68 -6.217 10.089 -3.651 485 H LYS 69 H LYS 69 -6.849 7.165 -4.042 486 HA LYS 69 HA LYS 69 -9.399 7.713 -2.707 487 HB2 LYS 69 1HB LYS 69 -9.264 8.416 -5.028 488 HB3 LYS 69 2HB LYS 69 -8.778 6.800 -5.521 489 HG2 LYS 69 1HG LYS 69 -10.978 6.694 -6.054 490 HG3 LYS 69 2HG LYS 69 -11.077 6.159 -4.375 491 HD2 LYS 69 1HD LYS 69 -11.231 9.076 -4.885 492 HD3 LYS 69 2HD LYS 69 -12.621 8.098 -5.360 493 HE2 LYS 69 1HE LYS 69 -12.913 7.293 -3.140 494 HE3 LYS 69 2HE LYS 69 -11.367 7.966 -2.626 495 HZ1 LYS 69 3HZ LYS 69 -12.237 10.011 -2.385 496 HZ2 LYS 69 1HZ LYS 69 -13.700 9.174 -2.229 497 HZ3 LYS 69 2HZ LYS 69 -13.275 9.865 -3.713 498 H GLN 70 H GLN 70 -7.375 5.086 -3.860 499 HA GLN 70 HA GLN 70 -9.173 2.968 -3.605 500 HB2 GLN 70 1HB GLN 70 -6.228 2.788 -2.981 501 HB3 GLN 70 2HB GLN 70 -7.277 1.522 -3.605 502 HG2 GLN 70 1HG GLN 70 -6.279 3.963 -5.041 503 HG3 GLN 70 2HG GLN 70 -5.928 2.273 -5.398 504 HE21 GLN 70 1HE2 GLN 70 -8.685 4.483 -5.090 505 HE22 GLN 70 2HE2 GLN 70 -9.573 3.836 -6.424 506 H ARG 71 H ARG 71 -10.265 2.315 -1.884 507 HA ARG 71 HA ARG 71 -9.183 2.858 0.787 508 HB2 ARG 71 1HB ARG 71 -11.339 3.714 0.725 509 HB3 ARG 71 2HB ARG 71 -11.936 2.413 -0.296 510 HG2 ARG 71 1HG ARG 71 -12.099 0.923 1.500 511 HG3 ARG 71 2HG ARG 71 -11.078 1.925 2.533 512 HD2 ARG 71 1HD ARG 71 -13.347 2.171 3.256 513 HD3 ARG 71 2HD ARG 71 -12.849 3.672 2.478 514 HE ARG 71 HE ARG 71 -14.026 2.261 0.476 515 HH11 ARG 71 1HH1 ARG 71 -15.014 3.238 3.668 516 HH12 ARG 71 2HH1 ARG 71 -16.694 3.343 3.258 517 HH21 ARG 71 1HH2 ARG 71 -16.235 2.396 -0.077 518 HH22 ARG 71 2HH2 ARG 71 -17.387 2.863 1.128 519 H TYR 72 H TYR 72 -9.082 0.438 -1.381 520 HA TYR 72 HA TYR 72 -8.319 -1.517 0.531 521 HB2 TYR 72 1HB TYR 72 -10.079 -2.989 0.560 522 HB3 TYR 72 2HB TYR 72 -10.970 -1.479 0.404 523 HD1 TYR 72 1HD TYR 72 -11.734 -0.767 -1.908 524 HD2 TYR 72 2HD TYR 72 -10.262 -4.671 -1.073 525 HE1 TYR 72 1HE TYR 72 -12.795 -1.601 -3.964 526 HE2 TYR 72 2HE TYR 72 -11.318 -5.515 -3.127 527 HH TYR 72 HH TYR 72 -13.476 -3.535 -5.031 528 H TYR 73 H TYR 73 -7.437 -3.414 -0.438 529 HA TYR 73 HA TYR 73 -7.252 -3.418 -3.359 530 HB2 TYR 73 1HB TYR 73 -5.304 -2.143 -2.362 531 HB3 TYR 73 2HB TYR 73 -4.796 -3.655 -1.618 532 HD1 TYR 73 2HD TYR 73 -4.250 -5.617 -3.132 533 HD2 TYR 73 1HD TYR 73 -4.751 -1.653 -4.595 534 HE1 TYR 73 2HE TYR 73 -3.045 -6.229 -5.187 535 HE2 TYR 73 1HE TYR 73 -3.549 -2.255 -6.654 536 HH TYR 73 HH TYR 73 -1.606 -4.556 -7.044 537 H SER 74 H SER 74 -7.462 -5.398 -4.172 538 HA SER 74 HA SER 74 -7.413 -7.668 -2.328 539 HB2 SER 74 1HB SER 74 -8.291 -7.880 -5.187 540 HB3 SER 74 2HB SER 74 -8.863 -8.768 -3.774 541 HG SER 74 HG SER 74 -9.595 -6.256 -4.723 542 H ILE 75 H ILE 75 -5.418 -8.487 -2.124 543 HA ILE 75 HA ILE 75 -3.585 -8.580 -4.357 544 HB ILE 75 HB ILE 75 -3.257 -9.757 -1.596 545 HG12 ILE 75 1HG1 ILE 75 -2.252 -7.109 -2.657 546 HG13 ILE 75 2HG1 ILE 75 -3.656 -7.290 -1.611 547 HG21 ILE 75 1HG2 ILE 75 -1.801 -10.486 -3.638 548 HG22 ILE 75 2HG2 ILE 75 -1.014 -8.930 -3.380 549 HG23 ILE 75 3HG2 ILE 75 -1.039 -10.130 -2.088 550 HD11 ILE 75 3HD1 ILE 75 -2.326 -8.028 0.195 551 HD12 ILE 75 1HD1 ILE 75 -0.911 -8.225 -0.838 552 HD13 ILE 75 2HD1 ILE 75 -1.524 -6.610 -0.481 553 H GLU 76 H GLU 76 -3.759 -10.110 -5.850 554 HA GLU 76 HA GLU 76 -4.661 -12.789 -5.027 555 HB2 GLU 76 1HB GLU 76 -4.699 -11.626 -7.815 556 HB3 GLU 76 2HB GLU 76 -5.433 -13.133 -7.285 557 HG2 GLU 76 1HG GLU 76 -6.732 -11.523 -5.652 558 HG3 GLU 76 2HG GLU 76 -6.344 -10.336 -6.896 559 H ARG 77 H ARG 77 -3.839 -14.422 -6.901 560 HA ARG 77 HA ARG 77 -2.081 -15.584 -7.761 561 HB2 ARG 77 1HB ARG 77 -0.501 -13.015 -7.660 562 HB3 ARG 77 2HB ARG 77 -0.218 -14.410 -8.693 563 HG2 ARG 77 1HG ARG 77 -2.825 -12.999 -8.910 564 HG3 ARG 77 2HG ARG 77 -1.389 -12.239 -9.600 565 HD2 ARG 77 1HD ARG 77 -0.964 -14.193 -10.959 566 HD3 ARG 77 2HD ARG 77 -2.311 -15.046 -10.205 567 HE ARG 77 HE ARG 77 -3.396 -12.759 -11.275 568 HH11 ARG 77 1HH1 ARG 77 -1.616 -15.500 -12.476 569 HH12 ARG 77 2HH1 ARG 77 -2.351 -15.456 -14.045 570 HH21 ARG 77 1HH2 ARG 77 -4.371 -12.690 -13.336 571 HH22 ARG 77 2HH2 ARG 77 -3.917 -13.856 -14.533 572 H LEU 78 H LEU 78 -2.487 -15.673 -5.027 573 HA LEU 78 HA LEU 78 0.265 -15.804 -3.981 574 HB2 LEU 78 1HB LEU 78 -2.223 -15.543 -2.314 575 HB3 LEU 78 2HB LEU 78 -0.549 -15.359 -1.797 576 HG LEU 78 HG LEU 78 -1.949 -13.473 -3.688 577 HD11 LEU 78 1HD1 LEU 78 -1.857 -13.599 -0.731 578 HD12 LEU 78 2HD1 LEU 78 -3.102 -12.962 -1.803 579 HD13 LEU 78 3HD1 LEU 78 -1.648 -12.017 -1.482 580 HD21 LEU 78 3HD2 LEU 78 0.782 -13.759 -2.689 581 HD22 LEU 78 1HD2 LEU 78 0.109 -12.143 -2.470 582 HD23 LEU 78 2HD2 LEU 78 0.168 -12.863 -4.079 583 H GLU 79 H GLU 79 0.588 -17.494 -2.301 584 HA GLU 79 HA GLU 79 -0.542 -19.992 -3.234 585 HB2 GLU 79 1HB GLU 79 1.124 -21.062 -1.846 586 HB3 GLU 79 2HB GLU 79 1.881 -19.770 -2.768 587 HG2 GLU 79 1HG GLU 79 1.335 -18.390 -0.577 588 HG3 GLU 79 2HG GLU 79 1.401 -19.995 0.147 589 H SER 80 H SER 80 -0.676 -21.624 -1.137 590 HA SER 80 HA SER 80 -2.752 -20.416 0.571 591 HB2 SER 80 1HB SER 80 -3.898 -22.505 0.609 592 HB3 SER 80 2HB SER 80 -3.467 -22.218 -1.077 593 HG SER 80 HG SER 80 -1.972 -23.774 -0.981 594 H SER 81 H SER 81 -2.860 -21.046 2.760 595 HA SER 81 HA SER 81 -1.978 -21.462 4.816 596 HB2 SER 81 1HB SER 81 -2.068 -23.805 3.884 597 HB3 SER 81 2HB SER 81 -0.370 -23.625 3.445 598 HG SER 81 HG SER 81 -0.701 -22.894 5.995 599 H SER 82 H SER 82 -0.849 -19.317 3.838 600 HA SER 82 HA SER 82 1.932 -19.536 4.708 601 HB2 SER 82 1HB SER 82 2.495 -17.900 2.766 602 HB3 SER 82 2HB SER 82 2.353 -19.622 2.409 603 HG SER 82 HG SER 82 0.064 -18.027 2.217 604 H HIS 83 H HIS 83 2.546 -17.888 5.978 605 HA HIS 83 HA HIS 83 0.608 -15.925 6.744 606 HB2 HIS 83 1HB HIS 83 2.027 -16.784 8.464 607 HB3 HIS 83 2HB HIS 83 3.480 -16.396 7.549 608 HD1 HIS 83 1HD HIS 83 4.279 -15.034 9.659 609 HD2 HIS 83 2HD HIS 83 0.887 -13.548 7.776 610 HE1 HIS 83 1HE HIS 83 3.985 -12.701 10.549 611 HE2 HIS 83 2HE HIS 83 1.878 -11.852 9.460 612 H TYR 84 H TYR 84 0.174 -14.373 5.285 613 HA TYR 84 HA TYR 84 2.386 -13.072 3.878 614 HB2 TYR 84 1HB TYR 84 -0.518 -13.399 3.380 615 HB3 TYR 84 2HB TYR 84 0.200 -11.883 2.847 616 HD1 TYR 84 1HD TYR 84 0.500 -15.572 2.544 617 HD2 TYR 84 2HD TYR 84 1.447 -11.782 0.858 618 HE1 TYR 84 1HE TYR 84 1.331 -16.689 0.516 619 HE2 TYR 84 2HE TYR 84 2.279 -12.888 -1.175 620 HH TYR 84 HH TYR 84 1.590 -15.903 -2.043 621 H VAL 85 H VAL 85 3.273 -11.409 4.904 622 HA VAL 85 HA VAL 85 1.817 -9.866 6.854 623 HB VAL 85 HB VAL 85 4.556 -9.228 5.774 624 HG11 VAL 85 1HG1 VAL 85 4.820 -8.411 8.165 625 HG12 VAL 85 2HG1 VAL 85 3.751 -7.471 7.122 626 HG13 VAL 85 3HG1 VAL 85 3.071 -8.587 8.308 627 HG21 VAL 85 3HG2 VAL 85 5.473 -10.619 7.576 628 HG22 VAL 85 1HG2 VAL 85 3.842 -11.154 7.983 629 HG23 VAL 85 2HG2 VAL 85 4.543 -11.575 6.421 630 H ILE 86 H ILE 86 0.706 -8.066 6.488 631 HA ILE 86 HA ILE 86 1.190 -6.611 3.970 632 HB ILE 86 HB ILE 86 -1.429 -6.701 5.463 633 HG12 ILE 86 1HG1 ILE 86 -1.027 -8.123 2.869 634 HG13 ILE 86 2HG1 ILE 86 -0.450 -8.897 4.341 635 HG21 ILE 86 1HG2 ILE 86 -0.420 -5.329 3.068 636 HG22 ILE 86 2HG2 ILE 86 -2.003 -6.085 2.892 637 HG23 ILE 86 3HG2 ILE 86 -1.733 -4.892 4.161 638 HD11 ILE 86 3HD1 ILE 86 -3.237 -8.250 3.510 639 HD12 ILE 86 1HD1 ILE 86 -2.568 -9.760 4.126 640 HD13 ILE 86 2HD1 ILE 86 -2.839 -8.404 5.221 641 H SER 87 H SER 87 1.973 -4.635 4.224 642 HA SER 87 HA SER 87 1.287 -3.143 6.669 643 HB2 SER 87 1HB SER 87 3.967 -3.096 5.262 644 HB3 SER 87 2HB SER 87 3.539 -2.216 6.728 645 HG SER 87 HG SER 87 3.670 -5.034 6.415 646 H LEU 88 H LEU 88 -0.088 -1.623 5.986 647 HA LEU 88 HA LEU 88 0.432 -0.257 3.446 648 HB2 LEU 88 1HB LEU 88 -1.773 -0.930 3.440 649 HB3 LEU 88 2HB LEU 88 -1.974 -0.639 5.167 650 HG LEU 88 HG LEU 88 -1.704 1.876 4.445 651 HD11 LEU 88 1HD1 LEU 88 -1.240 1.756 2.177 652 HD12 LEU 88 2HD1 LEU 88 -2.972 2.089 2.206 653 HD13 LEU 88 3HD1 LEU 88 -2.394 0.450 1.906 654 HD21 LEU 88 3HD2 LEU 88 -3.680 0.753 5.490 655 HD22 LEU 88 1HD2 LEU 88 -4.263 0.397 3.864 656 HD23 LEU 88 2HD2 LEU 88 -4.082 2.071 4.388 657 H LYS 89 H LYS 89 0.901 1.877 3.316 658 HA LYS 89 HA LYS 89 0.745 3.530 5.721 659 HB2 LYS 89 1HB LYS 89 3.004 4.183 5.706 660 HB3 LYS 89 2HB LYS 89 3.048 2.436 5.509 661 HG2 LYS 89 1HG LYS 89 3.596 2.595 3.233 662 HG3 LYS 89 2HG LYS 89 3.149 4.302 3.162 663 HD2 LYS 89 1HD LYS 89 5.428 4.489 3.268 664 HD3 LYS 89 2HD LYS 89 5.039 4.519 4.990 665 HE2 LYS 89 1HE LYS 89 5.364 1.986 4.923 666 HE3 LYS 89 2HE LYS 89 6.113 2.243 3.348 667 HZ1 LYS 89 3HZ LYS 89 7.725 3.707 4.391 668 HZ2 LYS 89 1HZ LYS 89 7.758 2.178 5.115 669 HZ3 LYS 89 2HZ LYS 89 7.003 3.470 5.902 670 H ALA 90 H ALA 90 0.429 5.690 5.325 671 HA ALA 90 HA ALA 90 -0.429 6.378 2.658 672 HB1 ALA 90 3HB ALA 90 -1.679 7.088 4.670 673 HB2 ALA 90 1HB ALA 90 -0.319 8.120 5.117 674 HB3 ALA 90 2HB ALA 90 -1.218 8.437 3.632 675 H PHE 91 H PHE 91 0.430 7.970 1.329 676 HA PHE 91 HA PHE 91 3.021 9.107 2.104 677 HB2 PHE 91 1HB PHE 91 4.022 8.528 -0.013 678 HB3 PHE 91 2HB PHE 91 3.388 7.059 0.723 679 HD1 PHE 91 1HD PHE 91 2.831 9.574 -1.909 680 HD2 PHE 91 2HD PHE 91 1.671 5.800 -0.319 681 HE1 PHE 91 1HE PHE 91 1.547 9.110 -3.956 682 HE2 PHE 91 2HE PHE 91 0.387 5.330 -2.364 683 HZ PHE 91 HZ PHE 91 0.324 6.985 -4.186 684 H ASN 92 H ASN 92 3.698 10.899 0.661 685 HA ASN 92 HA ASN 92 1.833 12.127 -1.096 686 HB2 ASN 92 1HB ASN 92 1.122 13.997 0.198 687 HB3 ASN 92 2HB ASN 92 0.801 12.568 1.177 688 HD21 ASN 92 1HD2 ASN 92 0.807 14.727 2.579 689 HD22 ASN 92 2HD2 ASN 92 2.274 14.961 3.463 690 H ASN 93 H ASN 93 2.560 14.676 -1.178 691 HA ASN 93 HA ASN 93 5.018 14.724 -2.418 692 HB2 ASN 93 1HB ASN 93 3.243 16.813 -1.252 693 HB3 ASN 93 2HB ASN 93 4.883 17.286 -1.686 694 HD21 ASN 93 1HD2 ASN 93 2.662 14.992 -3.209 695 HD22 ASN 93 2HD2 ASN 93 2.621 15.785 -4.744 696 H ALA 94 H ALA 94 4.291 14.900 0.967 697 HA ALA 94 HA ALA 94 6.870 15.913 1.749 698 HB1 ALA 94 3HB ALA 94 6.121 15.588 4.012 699 HB2 ALA 94 1HB ALA 94 4.815 16.312 3.073 700 HB3 ALA 94 2HB ALA 94 4.772 14.592 3.464 701 H GLY 95 H GLY 95 5.407 12.789 1.249 702 HA2 GLY 95 1HA GLY 95 7.267 11.114 0.725 703 HA3 GLY 95 2HA GLY 95 7.811 11.485 2.354 704 H GLU 96 H GLU 96 7.432 9.726 3.539 705 HA GLU 96 HA GLU 96 4.767 8.483 3.342 706 HB2 GLU 96 1HB GLU 96 7.239 7.102 4.369 707 HB3 GLU 96 2HB GLU 96 5.712 6.377 3.887 708 HG2 GLU 96 1HG GLU 96 6.150 6.674 1.615 709 HG3 GLU 96 2HG GLU 96 7.424 7.852 1.923 710 H GLY 97 H GLY 97 3.722 7.858 5.258 711 HA2 GLY 97 1HA GLY 97 4.780 9.189 7.674 712 HA3 GLY 97 2HA GLY 97 3.069 9.040 7.303 713 H VAL 98 H VAL 98 3.652 8.252 9.720 714 HA VAL 98 HA VAL 98 4.691 5.911 10.465 715 HB VAL 98 HB VAL 98 3.464 7.191 12.068 716 HG11 VAL 98 1HG1 VAL 98 0.778 6.655 11.733 717 HG12 VAL 98 2HG1 VAL 98 1.589 8.180 11.370 718 HG13 VAL 98 3HG1 VAL 98 1.340 6.986 10.095 719 HG21 VAL 98 3HG2 VAL 98 2.058 5.424 13.132 720 HG22 VAL 98 1HG2 VAL 98 2.261 4.456 11.672 721 HG23 VAL 98 2HG2 VAL 98 3.665 4.876 12.654 722 HA PRO 99 HA PRO 99 2.752 3.147 7.452 723 HB2 PRO 99 1HB PRO 99 4.571 1.161 7.789 724 HB3 PRO 99 2HB PRO 99 4.866 2.570 6.763 725 HG2 PRO 99 1HG PRO 99 5.777 2.043 9.566 726 HG3 PRO 99 2HG PRO 99 6.683 2.731 8.206 727 HD2 PRO 99 1HD PRO 99 5.613 4.262 10.166 728 HD3 PRO 99 2HD PRO 99 5.764 4.826 8.489 729 H LEU 100 H LEU 100 1.300 1.539 7.760 730 HA LEU 100 HA LEU 100 1.058 0.461 10.485 731 HB2 LEU 100 1HB LEU 100 -0.806 1.814 9.233 732 HB3 LEU 100 2HB LEU 100 -1.116 0.267 8.449 733 HG LEU 100 HG LEU 100 -1.246 -0.614 10.914 734 HD11 LEU 100 1HD1 LEU 100 -1.828 2.325 11.237 735 HD12 LEU 100 2HD1 LEU 100 -0.535 1.411 12.013 736 HD13 LEU 100 3HD1 LEU 100 -2.218 1.079 12.423 737 HD21 LEU 100 3HD2 LEU 100 -3.413 -0.823 10.441 738 HD22 LEU 100 1HD2 LEU 100 -3.084 0.112 8.982 739 HD23 LEU 100 2HD2 LEU 100 -3.662 0.923 10.438 740 H TYR 101 H TYR 101 1.497 -1.611 10.817 741 HA TYR 101 HA TYR 101 1.778 -3.379 8.496 742 HB2 TYR 101 1HB TYR 101 2.983 -3.300 11.224 743 HB3 TYR 101 2HB TYR 101 2.816 -4.866 10.437 744 HD1 TYR 101 1HD TYR 101 3.797 -1.455 9.249 745 HD2 TYR 101 2HD TYR 101 4.821 -5.573 9.554 746 HE1 TYR 101 1HE TYR 101 5.860 -1.030 7.979 747 HE2 TYR 101 2HE TYR 101 6.888 -5.159 8.287 748 HH TYR 101 HH TYR 101 8.256 -3.573 7.463 749 H GLU 102 H GLU 102 1.088 -5.646 8.747 750 HA GLU 102 HA GLU 102 -0.941 -6.231 10.713 751 HB2 GLU 102 1HB GLU 102 -1.791 -4.994 8.390 752 HB3 GLU 102 2HB GLU 102 -2.045 -6.700 8.050 753 HG2 GLU 102 1HG GLU 102 -3.409 -4.923 9.960 754 HG3 GLU 102 2HG GLU 102 -4.033 -6.275 9.017 755 H SER 103 H SER 103 -2.114 -8.413 9.770 756 HA SER 103 HA SER 103 -0.064 -10.154 8.622 757 HB2 SER 103 1HB SER 103 -0.274 -11.807 10.374 758 HB3 SER 103 2HB SER 103 0.142 -10.261 11.114 759 HG SER 103 HG SER 103 -2.476 -11.344 10.922 760 H ALA 104 H ALA 104 -0.857 -11.854 7.445 761 HA ALA 104 HA ALA 104 -3.646 -12.593 7.580 762 HB1 ALA 104 3HB ALA 104 -3.219 -10.485 6.006 763 HB2 ALA 104 1HB ALA 104 -2.837 -11.765 4.854 764 HB3 ALA 104 2HB ALA 104 -4.419 -11.722 5.633 765 H THR 105 H THR 105 -3.295 -14.724 7.762 766 HA THR 105 HA THR 105 -1.303 -16.026 6.071 767 HB THR 105 HB THR 105 -3.007 -17.199 8.278 768 HG1 THR 105 1HG THR 105 -0.250 -16.837 8.546 769 HG21 THR 105 3HG2 THR 105 -2.254 -18.873 6.659 770 HG22 THR 105 1HG2 THR 105 -1.424 -19.068 8.202 771 HG23 THR 105 2HG2 THR 105 -0.593 -18.312 6.842 772 H THR 106 H THR 106 -1.971 -16.566 4.097 773 HA THR 106 HA THR 106 -4.477 -16.744 3.073 774 HB THR 106 HB THR 106 -3.510 -18.538 1.485 775 HG1 THR 106 1HG THR 106 -1.653 -19.332 2.091 776 HG21 THR 106 3HG2 THR 106 -2.208 -16.882 0.290 777 HG22 THR 106 1HG2 THR 106 -2.047 -15.910 1.752 778 HG23 THR 106 2HG2 THR 106 -3.628 -16.113 0.998 779 H ARG 107 H ARG 107 -5.838 -18.566 2.465 780 HA ARG 107 HA ARG 107 -6.251 -20.337 4.705 781 HB2 ARG 107 1HB ARG 107 -7.786 -20.437 2.123 782 HB3 ARG 107 2HB ARG 107 -8.331 -20.852 3.743 783 HG2 ARG 107 1HG ARG 107 -7.623 -18.053 2.905 784 HG3 ARG 107 2HG ARG 107 -9.254 -18.722 2.806 785 HD2 ARG 107 1HD ARG 107 -7.607 -18.551 5.326 786 HD3 ARG 107 2HD ARG 107 -8.859 -17.400 4.862 787 HE ARG 107 HE ARG 107 -9.937 -19.995 4.853 788 HH11 ARG 107 1HH1 ARG 107 -8.766 -17.576 7.066 789 HH12 ARG 107 2HH1 ARG 107 -9.780 -18.093 8.372 790 HH21 ARG 107 1HH2 ARG 107 -11.277 -20.685 6.565 791 HH22 ARG 107 2HH2 ARG 107 -11.207 -19.862 8.086 792 H SER 108 H SER 108 -7.153 -22.652 3.769 793 HA SER 108 HA SER 108 -4.798 -23.818 2.447 794 HB2 SER 108 1HB SER 108 -5.452 -25.938 3.520 795 HB3 SER 108 2HB SER 108 -5.221 -24.661 4.714 796 HG SER 108 HG SER 108 -7.220 -26.086 4.764 797 H ILE 109 H ILE 109 -5.016 -25.173 0.703 798 HA ILE 109 HA ILE 109 -7.229 -24.766 -0.999 799 HB ILE 109 HB ILE 109 -5.119 -26.921 -1.178 800 HG12 ILE 109 1HG1 ILE 109 -4.132 -24.680 -1.096 801 HG13 ILE 109 2HG1 ILE 109 -3.967 -25.373 -2.705 802 HG21 ILE 109 1HG2 ILE 109 -6.511 -27.663 -2.782 803 HG22 ILE 109 2HG2 ILE 109 -7.364 -26.125 -2.899 804 HG23 ILE 109 3HG2 ILE 109 -5.822 -26.342 -3.726 805 HD11 ILE 109 3HD1 ILE 109 -4.901 -23.561 -3.547 806 HD12 ILE 109 1HD1 ILE 109 -6.386 -23.932 -2.672 807 HD13 ILE 109 2HD1 ILE 109 -5.155 -22.912 -1.928 808 H THR 110 H THR 110 -9.099 -25.818 -1.213 809 HA THR 110 HA THR 110 -9.575 -28.149 0.493 810 HB THR 110 HB THR 110 -11.142 -26.237 0.667 811 HG1 THR 110 1HG THR 110 -11.764 -28.560 0.918 812 HG21 THR 110 3HG2 THR 110 -10.962 -25.732 -1.846 813 HG22 THR 110 1HG2 THR 110 -12.543 -25.560 -1.087 814 HG23 THR 110 2HG2 THR 110 -12.179 -26.992 -2.050 815 H SER 111 H SER 111 -9.940 -30.137 -0.291 816 HA SER 111 HA SER 111 -9.875 -30.476 -3.203 817 HB2 SER 111 1HB SER 111 -8.143 -31.718 -2.122 818 HB3 SER 111 2HB SER 111 -9.265 -32.365 -0.925 819 HG SER 111 HG SER 111 -9.831 -32.877 -3.601 820 H GLY 112 H GLY 112 -12.088 -29.969 -3.550 821 HA2 GLY 112 1HA GLY 112 -14.259 -30.590 -3.976 822 HA3 GLY 112 2HA GLY 112 -13.802 -32.226 -3.527 823 HA PRO 113 HA PRO 113 -15.874 -29.691 0.088 824 HB2 PRO 113 1HB PRO 113 -18.331 -28.926 -0.775 825 HB3 PRO 113 2HB PRO 113 -16.909 -27.882 -0.880 826 HG2 PRO 113 1HG PRO 113 -18.175 -29.575 -2.999 827 HG3 PRO 113 2HG PRO 113 -17.548 -27.921 -3.115 828 HD2 PRO 113 1HD PRO 113 -16.152 -30.072 -3.983 829 HD3 PRO 113 2HD PRO 113 -15.364 -28.628 -3.315 830 H SER 114 H SER 114 -16.194 -31.545 1.203 831 HA SER 114 HA SER 114 -17.343 -33.881 0.553 832 HB2 SER 114 1HB SER 114 -17.869 -34.242 2.893 833 HB3 SER 114 2HB SER 114 -16.362 -33.332 2.781 834 HG SER 114 HG SER 114 -17.310 -31.628 3.628 835 H SER 115 H SER 115 -19.136 -31.025 1.661 836 HA SER 115 HA SER 115 -21.587 -32.260 0.584 837 HB2 SER 115 1HB SER 115 -21.476 -32.029 3.121 838 HB3 SER 115 2HB SER 115 -21.541 -30.285 2.868 839 HG SER 115 HG SER 115 -23.565 -30.453 2.103 840 H GLY 116 H GLY 116 -23.296 -30.568 0.069 841 HA2 GLY 116 1HA GLY 116 -23.880 -28.892 -1.400 842 HA3 GLY 116 2HA GLY 116 -22.880 -27.898 -0.349 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -19.451 7.537 -10.088 2 HA2 GLY 1 1HA GLY 1 -20.163 10.166 -9.534 3 HA3 GLY 1 2HA GLY 1 -21.087 9.157 -8.432 4 H SER 2 H SER 2 -20.032 9.929 -6.603 5 HA SER 2 HA SER 2 -17.166 9.812 -6.388 6 HB2 SER 2 1HB SER 2 -18.387 11.539 -5.177 7 HB3 SER 2 2HB SER 2 -19.300 10.312 -4.298 8 HG SER 2 HG SER 2 -16.611 9.947 -4.089 9 H SER 3 H SER 3 -16.247 7.857 -6.360 10 HA SER 3 HA SER 3 -17.539 5.603 -5.088 11 HB2 SER 3 1HB SER 3 -16.298 5.327 -7.214 12 HB3 SER 3 2HB SER 3 -14.809 5.786 -6.387 13 HG SER 3 HG SER 3 -15.348 3.951 -4.934 14 H GLY 4 H GLY 4 -14.634 7.574 -4.584 15 HA2 GLY 4 1HA GLY 4 -14.389 6.358 -1.902 16 HA3 GLY 4 2HA GLY 4 -13.025 6.963 -2.830 17 H SER 5 H SER 5 -13.285 7.826 -0.295 18 HA SER 5 HA SER 5 -14.767 10.299 -0.189 19 HB2 SER 5 1HB SER 5 -14.387 8.783 1.797 20 HB3 SER 5 2HB SER 5 -12.703 9.307 1.785 21 HG SER 5 HG SER 5 -14.327 10.482 3.166 22 H SER 6 H SER 6 -12.990 10.331 -2.317 23 HA SER 6 HA SER 6 -10.489 11.473 -1.809 24 HB2 SER 6 1HB SER 6 -10.476 12.133 -4.126 25 HB3 SER 6 2HB SER 6 -11.279 10.567 -4.015 26 HG SER 6 HG SER 6 -12.231 12.848 -5.004 27 H GLY 7 H GLY 7 -9.806 13.709 -2.234 28 HA2 GLY 7 1HA GLY 7 -11.791 15.799 -2.000 29 HA3 GLY 7 2HA GLY 7 -10.815 15.572 -0.556 30 HA PRO 8 HA PRO 8 -8.615 17.993 -4.116 31 HB2 PRO 8 1HB PRO 8 -9.590 20.508 -3.803 32 HB3 PRO 8 2HB PRO 8 -10.295 19.337 -4.923 33 HG2 PRO 8 1HG PRO 8 -11.187 20.098 -2.168 34 HG3 PRO 8 2HG PRO 8 -12.161 19.833 -3.626 35 HD2 PRO 8 1HD PRO 8 -11.911 17.966 -1.681 36 HD3 PRO 8 2HD PRO 8 -12.114 17.540 -3.393 37 H GLU 9 H GLU 9 -7.665 20.473 -3.594 38 HA GLU 9 HA GLU 9 -6.349 20.110 -0.993 39 HB2 GLU 9 1HB GLU 9 -4.666 21.755 -1.986 40 HB3 GLU 9 2HB GLU 9 -4.713 20.142 -2.682 41 HG2 GLU 9 1HG GLU 9 -6.099 20.999 -4.522 42 HG3 GLU 9 2HG GLU 9 -5.975 22.618 -3.837 43 H ASN 10 H ASN 10 -7.961 21.087 0.273 44 HA ASN 10 HA ASN 10 -7.915 24.010 0.162 45 HB2 ASN 10 1HB ASN 10 -9.979 23.357 -0.983 46 HB3 ASN 10 2HB ASN 10 -10.447 22.369 0.397 47 HD21 ASN 10 1HD2 ASN 10 -11.698 23.270 1.868 48 HD22 ASN 10 2HD2 ASN 10 -11.964 24.965 2.070 49 H ASP 11 H ASP 11 -7.107 24.619 2.051 50 HA ASP 11 HA ASP 11 -6.682 24.772 4.280 51 HB2 ASP 11 1HB ASP 11 -9.368 23.415 4.593 52 HB3 ASP 11 2HB ASP 11 -8.524 24.362 5.814 53 H LEU 12 H LEU 12 -5.415 22.688 3.088 54 HA LEU 12 HA LEU 12 -5.495 20.618 5.179 55 HB2 LEU 12 1HB LEU 12 -4.802 20.078 2.304 56 HB3 LEU 12 2HB LEU 12 -5.075 18.905 3.591 57 HG LEU 12 HG LEU 12 -7.225 20.695 2.467 58 HD11 LEU 12 1HD1 LEU 12 -7.738 18.076 1.710 59 HD12 LEU 12 2HD1 LEU 12 -6.022 18.303 1.376 60 HD13 LEU 12 3HD1 LEU 12 -7.210 19.395 0.665 61 HD21 LEU 12 3HD2 LEU 12 -7.253 18.301 4.296 62 HD22 LEU 12 1HD2 LEU 12 -8.693 18.975 3.533 63 HD23 LEU 12 2HD2 LEU 12 -7.760 19.949 4.670 64 H ASP 13 H ASP 13 -3.371 19.231 4.963 65 HA ASP 13 HA ASP 13 -1.114 21.099 4.637 66 HB2 ASP 13 1HB ASP 13 -1.880 20.269 7.036 67 HB3 ASP 13 2HB ASP 13 -0.944 18.846 6.589 68 H GLU 14 H GLU 14 0.561 20.428 3.432 69 HA GLU 14 HA GLU 14 0.598 17.602 2.595 70 HB2 GLU 14 1HB GLU 14 -0.088 19.446 0.880 71 HB3 GLU 14 2HB GLU 14 1.632 19.804 0.841 72 HG2 GLU 14 1HG GLU 14 2.161 17.663 0.007 73 HG3 GLU 14 2HG GLU 14 0.545 17.049 0.354 74 H SER 15 H SER 15 2.380 20.364 3.685 75 HA SER 15 HA SER 15 4.986 19.715 3.063 76 HB2 SER 15 1HB SER 15 5.422 20.785 5.450 77 HB3 SER 15 2HB SER 15 4.837 21.766 4.106 78 HG SER 15 HG SER 15 2.859 21.822 4.981 79 H GLN 16 H GLN 16 2.932 18.405 5.598 80 HA GLN 16 HA GLN 16 5.111 16.680 6.518 81 HB2 GLN 16 1HB GLN 16 3.669 16.146 8.406 82 HB3 GLN 16 2HB GLN 16 3.819 17.889 8.226 83 HG2 GLN 16 1HG GLN 16 1.635 17.928 7.085 84 HG3 GLN 16 2HG GLN 16 1.483 16.195 7.374 85 HE21 GLN 16 1HE2 GLN 16 0.137 18.810 8.344 86 HE22 GLN 16 2HE2 GLN 16 -0.019 18.553 10.045 87 H VAL 17 H VAL 17 4.563 14.382 6.975 88 HA VAL 17 HA VAL 17 3.329 13.216 4.634 89 HB VAL 17 HB VAL 17 4.096 11.063 5.547 90 HG11 VAL 17 1HG1 VAL 17 5.844 11.724 4.309 91 HG12 VAL 17 2HG1 VAL 17 5.837 13.350 4.994 92 HG13 VAL 17 3HG1 VAL 17 6.628 12.031 5.858 93 HG21 VAL 17 3HG2 VAL 17 4.944 12.754 7.890 94 HG22 VAL 17 1HG2 VAL 17 3.847 11.373 7.890 95 HG23 VAL 17 2HG2 VAL 17 5.568 11.133 7.587 96 HA PRO 18 HA PRO 18 -0.609 12.324 6.375 97 HB2 PRO 18 1HB PRO 18 -1.263 10.110 4.948 98 HB3 PRO 18 2HB PRO 18 -1.258 11.735 4.252 99 HG2 PRO 18 1HG PRO 18 0.822 9.590 4.069 100 HG3 PRO 18 2HG PRO 18 0.212 10.668 2.800 101 HD2 PRO 18 1HD PRO 18 2.559 11.105 4.079 102 HD3 PRO 18 2HD PRO 18 1.536 12.428 3.484 103 H ASP 19 H ASP 19 -1.005 11.489 8.316 104 HA ASP 19 HA ASP 19 0.529 9.552 9.594 105 HB2 ASP 19 1HB ASP 19 -2.137 10.785 10.095 106 HB3 ASP 19 2HB ASP 19 -1.720 9.337 11.007 107 H GLN 20 H GLN 20 -0.516 7.484 10.555 108 HA GLN 20 HA GLN 20 -1.087 5.754 8.345 109 HB2 GLN 20 1HB GLN 20 -0.682 4.009 9.785 110 HB3 GLN 20 2HB GLN 20 0.214 5.293 10.585 111 HG2 GLN 20 1HG GLN 20 -1.976 5.674 11.903 112 HG3 GLN 20 2HG GLN 20 -2.394 4.054 11.348 113 HE21 GLN 20 1HE2 GLN 20 0.444 3.244 11.371 114 HE22 GLN 20 2HE2 GLN 20 0.831 2.975 13.033 115 HA PRO 21 HA PRO 21 -5.467 5.567 8.432 116 HB2 PRO 21 1HB PRO 21 -5.946 2.928 8.011 117 HB3 PRO 21 2HB PRO 21 -5.338 4.007 6.750 118 HG2 PRO 21 1HG PRO 21 -3.836 2.077 8.476 119 HG3 PRO 21 2HG PRO 21 -3.667 2.390 6.739 120 HD2 PRO 21 1HD PRO 21 -1.973 3.429 8.578 121 HD3 PRO 21 2HD PRO 21 -2.389 4.278 7.076 122 H SER 22 H SER 22 -6.799 5.740 10.111 123 HA SER 22 HA SER 22 -6.428 5.043 12.677 124 HB2 SER 22 1HB SER 22 -8.664 5.500 13.064 125 HB3 SER 22 2HB SER 22 -8.451 6.235 11.475 126 HG SER 22 HG SER 22 -9.065 3.801 10.928 127 H SER 23 H SER 23 -7.517 2.899 10.131 128 HA SER 23 HA SER 23 -6.827 0.592 11.699 129 HB2 SER 23 1HB SER 23 -9.701 0.777 10.793 130 HB3 SER 23 2HB SER 23 -8.966 -0.446 11.829 131 HG SER 23 HG SER 23 -10.052 0.968 13.147 132 H LEU 24 H LEU 24 -6.686 -1.317 10.458 133 HA LEU 24 HA LEU 24 -7.184 -1.040 7.581 134 HB2 LEU 24 1HB LEU 24 -4.944 -0.587 7.504 135 HB3 LEU 24 2HB LEU 24 -4.592 -1.538 8.946 136 HG LEU 24 HG LEU 24 -4.872 -3.600 7.602 137 HD11 LEU 24 1HD1 LEU 24 -6.017 -1.818 5.744 138 HD12 LEU 24 2HD1 LEU 24 -5.793 -3.560 5.589 139 HD13 LEU 24 3HD1 LEU 24 -4.546 -2.457 5.009 140 HD21 LEU 24 3HD2 LEU 24 -2.822 -2.963 6.030 141 HD22 LEU 24 1HD2 LEU 24 -2.649 -3.163 7.774 142 HD23 LEU 24 2HD2 LEU 24 -2.798 -1.547 7.082 143 H HIS 25 H HIS 25 -8.699 -2.558 7.287 144 HA HIS 25 HA HIS 25 -8.603 -5.074 8.716 145 HB2 HIS 25 1HB HIS 25 -10.768 -4.015 8.365 146 HB3 HIS 25 2HB HIS 25 -10.524 -4.037 6.621 147 HD1 HIS 25 1HD HIS 25 -12.338 -5.601 5.901 148 HD2 HIS 25 2HD HIS 25 -10.048 -7.150 9.001 149 HE1 HIS 25 1HE HIS 25 -13.102 -7.981 6.176 150 HE2 HIS 25 2HE HIS 25 -11.762 -8.872 8.114 151 H VAL 26 H VAL 26 -8.016 -7.021 7.916 152 HA VAL 26 HA VAL 26 -7.441 -7.275 5.057 153 HB VAL 26 HB VAL 26 -5.269 -8.303 5.463 154 HG11 VAL 26 1HG1 VAL 26 -5.898 -5.534 5.997 155 HG12 VAL 26 2HG1 VAL 26 -4.420 -6.031 6.823 156 HG13 VAL 26 3HG1 VAL 26 -4.565 -6.228 5.076 157 HG21 VAL 26 3HG2 VAL 26 -4.229 -8.174 7.699 158 HG22 VAL 26 1HG2 VAL 26 -5.762 -7.599 8.354 159 HG23 VAL 26 2HG2 VAL 26 -5.648 -9.221 7.670 160 H ARG 27 H ARG 27 -8.035 -9.192 4.243 161 HA ARG 27 HA ARG 27 -8.565 -11.394 6.126 162 HB2 ARG 27 1HB ARG 27 -10.312 -10.187 4.046 163 HB3 ARG 27 2HB ARG 27 -10.365 -11.936 4.220 164 HG2 ARG 27 1HG ARG 27 -10.671 -11.394 6.751 165 HG3 ARG 27 2HG ARG 27 -11.179 -9.815 6.148 166 HD2 ARG 27 1HD ARG 27 -13.197 -10.874 6.149 167 HD3 ARG 27 2HD ARG 27 -12.646 -11.313 4.533 168 HE ARG 27 HE ARG 27 -11.953 -13.186 6.625 169 HH11 ARG 27 1HH1 ARG 27 -14.243 -12.281 4.165 170 HH12 ARG 27 2HH1 ARG 27 -14.920 -13.870 4.026 171 HH21 ARG 27 1HH2 ARG 27 -12.835 -15.282 6.452 172 HH22 ARG 27 2HH2 ARG 27 -14.119 -15.576 5.328 173 HA PRO 28 HA PRO 28 -5.620 -13.211 3.231 174 HB2 PRO 28 1HB PRO 28 -5.056 -15.346 4.809 175 HB3 PRO 28 2HB PRO 28 -4.330 -13.753 5.053 176 HG2 PRO 28 1HG PRO 28 -6.639 -15.021 6.475 177 HG3 PRO 28 2HG PRO 28 -5.289 -14.087 7.145 178 HD2 PRO 28 1HD PRO 28 -7.741 -13.013 6.732 179 HD3 PRO 28 2HD PRO 28 -6.247 -12.065 6.587 180 H GLN 29 H GLN 29 -6.759 -14.003 1.534 181 HA GLN 29 HA GLN 29 -8.710 -16.122 1.935 182 HB2 GLN 29 1HB GLN 29 -7.864 -14.940 -0.704 183 HB3 GLN 29 2HB GLN 29 -9.369 -15.763 -0.315 184 HG2 GLN 29 1HG GLN 29 -8.551 -13.128 0.878 185 HG3 GLN 29 2HG GLN 29 -9.547 -13.288 -0.568 186 HE21 GLN 29 1HE2 GLN 29 -11.135 -12.098 0.654 187 HE22 GLN 29 2HE2 GLN 29 -12.158 -12.934 1.768 188 H THR 30 H THR 30 -8.564 -17.693 -0.206 189 HA THR 30 HA THR 30 -6.602 -19.561 0.403 190 HB THR 30 HB THR 30 -7.663 -19.424 -2.391 191 HG1 THR 30 1HG THR 30 -9.287 -20.456 -0.334 192 HG21 THR 30 3HG2 THR 30 -8.069 -21.905 -1.726 193 HG22 THR 30 1HG2 THR 30 -6.974 -21.546 -0.392 194 HG23 THR 30 2HG2 THR 30 -6.425 -21.361 -2.058 195 H ASN 31 H ASN 31 -6.716 -17.567 -2.559 196 HA ASN 31 HA ASN 31 -3.770 -17.642 -2.594 197 HB2 ASN 31 1HB ASN 31 -5.640 -17.584 -4.974 198 HB3 ASN 31 2HB ASN 31 -3.880 -17.575 -5.049 199 HD21 ASN 31 1HD2 ASN 31 -3.028 -19.438 -3.439 200 HD22 ASN 31 2HD2 ASN 31 -3.679 -20.992 -3.823 201 H CYS 32 H CYS 32 -6.424 -15.709 -2.192 202 HA CYS 32 HA CYS 32 -4.956 -13.323 -3.106 203 HB2 CYS 32 1HB CYS 32 -7.341 -12.288 -3.136 204 HB3 CYS 32 2HB CYS 32 -6.843 -13.322 -4.470 205 HG CYS 32 HG CYS 32 -9.240 -14.348 -4.252 206 H ILE 33 H ILE 33 -5.824 -11.297 -1.893 207 HA ILE 33 HA ILE 33 -6.627 -11.765 0.840 208 HB ILE 33 HB ILE 33 -3.920 -10.532 0.317 209 HG12 ILE 33 1HG1 ILE 33 -4.651 -13.220 1.500 210 HG13 ILE 33 2HG1 ILE 33 -3.852 -12.948 -0.045 211 HG21 ILE 33 1HG2 ILE 33 -5.422 -9.782 2.292 212 HG22 ILE 33 2HG2 ILE 33 -4.986 -11.340 2.990 213 HG23 ILE 33 3HG2 ILE 33 -3.729 -10.169 2.595 214 HD11 ILE 33 3HD1 ILE 33 -1.850 -12.430 0.929 215 HD12 ILE 33 1HD1 ILE 33 -2.594 -11.890 2.434 216 HD13 ILE 33 2HD1 ILE 33 -2.484 -13.613 2.073 217 H ILE 34 H ILE 34 -8.246 -10.326 0.841 218 HA ILE 34 HA ILE 34 -7.944 -7.736 -0.428 219 HB ILE 34 HB ILE 34 -10.267 -8.951 1.069 220 HG12 ILE 34 1HG1 ILE 34 -11.285 -9.034 -1.206 221 HG13 ILE 34 2HG1 ILE 34 -9.751 -8.490 -1.877 222 HG21 ILE 34 1HG2 ILE 34 -10.467 -6.510 -0.644 223 HG22 ILE 34 2HG2 ILE 34 -11.543 -7.073 0.634 224 HG23 ILE 34 3HG2 ILE 34 -9.979 -6.371 1.045 225 HD11 ILE 34 3HD1 ILE 34 -10.359 -11.016 -1.854 226 HD12 ILE 34 1HD1 ILE 34 -8.716 -10.498 -1.480 227 HD13 ILE 34 2HD1 ILE 34 -9.821 -10.934 -0.177 228 H MET 35 H MET 35 -7.601 -5.837 0.574 229 HA MET 35 HA MET 35 -7.692 -5.774 3.512 230 HB2 MET 35 1HB MET 35 -5.652 -4.142 3.199 231 HB3 MET 35 2HB MET 35 -5.406 -5.881 3.278 232 HG2 MET 35 1HG MET 35 -5.222 -6.020 0.890 233 HG3 MET 35 2HG MET 35 -5.645 -4.318 0.721 234 HE1 MET 35 3HE MET 35 -2.598 -2.556 2.386 235 HE2 MET 35 1HE MET 35 -3.717 -2.278 1.052 236 HE3 MET 35 2HE MET 35 -4.334 -2.746 2.636 237 H SER 36 H SER 36 -8.897 -4.164 4.261 238 HA SER 36 HA SER 36 -9.340 -1.823 2.524 239 HB2 SER 36 1HB SER 36 -11.419 -2.931 2.575 240 HB3 SER 36 2HB SER 36 -11.258 -3.341 4.283 241 HG SER 36 HG SER 36 -11.393 -0.657 3.421 242 H TRP 37 H TRP 37 -8.500 -0.027 3.324 243 HA TRP 37 HA TRP 37 -8.280 0.244 6.251 244 HB2 TRP 37 1HB TRP 37 -6.343 1.723 5.834 245 HB3 TRP 37 2HB TRP 37 -6.086 0.098 5.204 246 HD1 TRP 37 HD TRP 37 -6.158 3.699 4.157 247 HE1 TRP 37 1HE TRP 37 -5.678 3.880 1.635 248 HE3 TRP 37 3HE TRP 37 -6.535 -1.243 2.903 249 HZ2 TRP 37 2HZ TRP 37 -5.485 2.156 -0.592 250 HZ3 TRP 37 3HZ TRP 37 -6.188 -1.893 0.555 251 HH2 TRP 37 HH TRP 37 -5.675 -0.227 -1.155 252 H THR 38 H THR 38 -7.791 2.825 6.610 253 HA THR 38 HA THR 38 -9.853 4.331 5.164 254 HB THR 38 HB THR 38 -10.119 5.330 7.703 255 HG1 THR 38 1HG THR 38 -9.851 3.778 9.133 256 HG21 THR 38 3HG2 THR 38 -12.223 5.005 7.050 257 HG22 THR 38 1HG2 THR 38 -12.060 3.290 7.423 258 HG23 THR 38 2HG2 THR 38 -11.684 3.879 5.804 259 HA PRO 39 HA PRO 39 -7.097 7.745 5.226 260 HB2 PRO 39 1HB PRO 39 -8.698 9.856 5.818 261 HB3 PRO 39 2HB PRO 39 -8.752 9.016 4.264 262 HG2 PRO 39 1HG PRO 39 -10.545 8.716 6.642 263 HG3 PRO 39 2HG PRO 39 -10.971 8.793 4.922 264 HD2 PRO 39 1HD PRO 39 -10.840 6.458 6.287 265 HD3 PRO 39 2HD PRO 39 -10.439 6.579 4.562 266 HA PRO 40 HA PRO 40 -5.624 8.834 9.223 267 HB2 PRO 40 1HB PRO 40 -4.800 11.401 8.910 268 HB3 PRO 40 2HB PRO 40 -3.947 10.025 8.201 269 HG2 PRO 40 1HG PRO 40 -5.887 11.913 6.924 270 HG3 PRO 40 2HG PRO 40 -4.360 11.276 6.285 271 HD2 PRO 40 1HD PRO 40 -6.771 10.277 5.563 272 HD3 PRO 40 2HD PRO 40 -5.311 9.271 5.662 273 H LEU 41 H LEU 41 -6.362 9.583 11.146 274 HA LEU 41 HA LEU 41 -8.940 10.493 11.478 275 HB2 LEU 41 1HB LEU 41 -6.510 10.647 13.222 276 HB3 LEU 41 2HB LEU 41 -8.042 11.341 13.748 277 HG LEU 41 HG LEU 41 -7.991 8.496 12.863 278 HD11 LEU 41 1HD1 LEU 41 -6.898 9.538 15.463 279 HD12 LEU 41 2HD1 LEU 41 -6.118 8.463 14.303 280 HD13 LEU 41 3HD1 LEU 41 -7.484 7.887 15.257 281 HD21 LEU 41 3HD2 LEU 41 -9.494 8.758 15.145 282 HD22 LEU 41 1HD2 LEU 41 -10.110 8.817 13.494 283 HD23 LEU 41 2HD2 LEU 41 -9.725 10.313 14.345 284 H ASN 42 H ASN 42 -6.180 12.266 10.512 285 HA ASN 42 HA ASN 42 -7.481 14.826 11.121 286 HB2 ASN 42 1HB ASN 42 -4.924 14.139 11.571 287 HB3 ASN 42 2HB ASN 42 -4.760 14.761 9.932 288 HD21 ASN 42 1HD2 ASN 42 -5.024 16.926 9.544 289 HD22 ASN 42 2HD2 ASN 42 -5.143 18.101 10.805 290 HA PRO 43 HA PRO 43 -8.622 14.483 6.737 291 HB2 PRO 43 1HB PRO 43 -10.666 16.260 6.920 292 HB3 PRO 43 2HB PRO 43 -10.826 14.561 7.381 293 HG2 PRO 43 1HG PRO 43 -10.371 16.959 9.114 294 HG3 PRO 43 2HG PRO 43 -11.459 15.583 9.372 295 HD2 PRO 43 1HD PRO 43 -9.054 15.789 10.598 296 HD3 PRO 43 2HD PRO 43 -9.763 14.226 10.143 297 H ASN 44 H ASN 44 -7.161 16.843 8.571 298 HA ASN 44 HA ASN 44 -7.296 18.944 6.563 299 HB2 ASN 44 1HB ASN 44 -5.700 18.894 9.131 300 HB3 ASN 44 2HB ASN 44 -6.071 20.303 8.142 301 HD21 ASN 44 1HD2 ASN 44 -7.547 17.758 10.085 302 HD22 ASN 44 2HD2 ASN 44 -8.912 18.688 10.590 303 H ILE 45 H ILE 45 -5.747 16.174 6.588 304 HA ILE 45 HA ILE 45 -3.183 17.275 5.647 305 HB ILE 45 HB ILE 45 -3.792 14.459 6.558 306 HG12 ILE 45 1HG1 ILE 45 -3.793 16.029 8.426 307 HG13 ILE 45 2HG1 ILE 45 -2.352 15.020 8.485 308 HG21 ILE 45 1HG2 ILE 45 -1.348 14.149 6.431 309 HG22 ILE 45 2HG2 ILE 45 -2.075 14.481 4.859 310 HG23 ILE 45 3HG2 ILE 45 -1.204 15.754 5.714 311 HD11 ILE 45 3HD1 ILE 45 -2.454 17.829 7.411 312 HD12 ILE 45 1HD1 ILE 45 -1.897 17.369 9.020 313 HD13 ILE 45 2HD1 ILE 45 -1.018 16.822 7.591 314 H VAL 46 H VAL 46 -2.340 16.624 3.673 315 HA VAL 46 HA VAL 46 -4.319 15.725 1.745 316 HB VAL 46 HB VAL 46 -1.500 16.750 1.421 317 HG11 VAL 46 1HG1 VAL 46 -3.135 15.208 -0.410 318 HG12 VAL 46 2HG1 VAL 46 -2.703 16.786 -1.072 319 HG13 VAL 46 3HG1 VAL 46 -1.440 15.678 -0.532 320 HG21 VAL 46 3HG2 VAL 46 -2.630 18.645 0.326 321 HG22 VAL 46 1HG2 VAL 46 -4.189 17.912 0.702 322 HG23 VAL 46 2HG2 VAL 46 -3.130 18.449 2.005 323 H VAL 47 H VAL 47 -4.262 13.842 0.606 324 HA VAL 47 HA VAL 47 -2.079 11.959 1.204 325 HB VAL 47 HB VAL 47 -5.010 11.246 1.031 326 HG11 VAL 47 1HG1 VAL 47 -4.157 9.264 0.404 327 HG12 VAL 47 2HG1 VAL 47 -2.535 9.670 0.968 328 HG13 VAL 47 3HG1 VAL 47 -3.750 9.097 2.112 329 HG21 VAL 47 3HG2 VAL 47 -3.918 10.503 3.512 330 HG22 VAL 47 1HG2 VAL 47 -3.410 12.167 3.222 331 HG23 VAL 47 2HG2 VAL 47 -5.124 11.750 3.192 332 H ARG 48 H ARG 48 -1.105 11.248 -0.568 333 HA ARG 48 HA ARG 48 -2.404 11.621 -3.156 334 HB2 ARG 48 1HB ARG 48 0.444 10.897 -2.445 335 HB3 ARG 48 2HB ARG 48 -0.153 11.128 -4.083 336 HG2 ARG 48 1HG ARG 48 0.049 13.194 -1.907 337 HG3 ARG 48 2HG ARG 48 0.975 13.115 -3.407 338 HD2 ARG 48 1HD ARG 48 -1.387 13.206 -4.523 339 HD3 ARG 48 2HD ARG 48 -1.877 13.883 -2.971 340 HE ARG 48 HE ARG 48 0.223 15.414 -3.572 341 HH11 ARG 48 1HH1 ARG 48 -2.499 14.403 -5.494 342 HH12 ARG 48 2HH1 ARG 48 -2.502 15.831 -6.476 343 HH21 ARG 48 1HH2 ARG 48 0.229 17.298 -4.858 344 HH22 ARG 48 2HH2 ARG 48 -0.950 17.476 -6.114 345 H GLY 49 H GLY 49 -1.752 9.160 -0.898 346 HA2 GLY 49 1HA GLY 49 -3.201 7.160 -1.980 347 HA3 GLY 49 2HA GLY 49 -1.667 6.999 -2.821 348 H TYR 50 H TYR 50 -1.355 4.938 -1.890 349 HA TYR 50 HA TYR 50 -0.099 5.057 0.718 350 HB2 TYR 50 1HB TYR 50 -2.059 2.836 0.422 351 HB3 TYR 50 2HB TYR 50 -1.493 3.648 1.877 352 HD1 TYR 50 2HD TYR 50 -3.706 4.063 -1.076 353 HD2 TYR 50 1HD TYR 50 -2.762 5.359 2.865 354 HE1 TYR 50 2HE TYR 50 -5.768 5.403 -1.029 355 HE2 TYR 50 1HE TYR 50 -4.822 6.701 2.924 356 HH TYR 50 HH TYR 50 -6.432 7.666 1.517 357 H ILE 51 H ILE 51 1.261 3.257 1.155 358 HA ILE 51 HA ILE 51 2.001 1.777 -1.274 359 HB ILE 51 HB ILE 51 3.655 2.260 1.206 360 HG12 ILE 51 1HG1 ILE 51 4.062 3.504 -1.509 361 HG13 ILE 51 2HG1 ILE 51 3.081 4.277 -0.269 362 HG21 ILE 51 1HG2 ILE 51 3.997 0.207 -0.414 363 HG22 ILE 51 2HG2 ILE 51 4.803 1.422 -1.404 364 HG23 ILE 51 3HG2 ILE 51 5.370 1.103 0.235 365 HD11 ILE 51 3HD1 ILE 51 5.122 4.094 1.231 366 HD12 ILE 51 1HD1 ILE 51 6.022 3.708 -0.235 367 HD13 ILE 51 2HD1 ILE 51 5.193 5.259 -0.091 368 H ILE 52 H ILE 52 1.222 -0.221 -1.347 369 HA ILE 52 HA ILE 52 0.665 -1.672 1.118 370 HB ILE 52 HB ILE 52 0.079 -2.399 -1.754 371 HG12 ILE 52 1HG1 ILE 52 -1.833 -1.548 0.425 372 HG13 ILE 52 2HG1 ILE 52 -1.169 -0.438 -0.769 373 HG21 ILE 52 1HG2 ILE 52 -1.077 -4.286 -1.000 374 HG22 ILE 52 2HG2 ILE 52 0.418 -4.291 -0.066 375 HG23 ILE 52 3HG2 ILE 52 -1.080 -3.727 0.672 376 HD11 ILE 52 3HD1 ILE 52 -3.028 -0.928 -1.905 377 HD12 ILE 52 1HD1 ILE 52 -2.153 -2.388 -2.366 378 HD13 ILE 52 2HD1 ILE 52 -3.296 -2.430 -1.022 379 H GLY 53 H GLY 53 2.530 -2.473 1.949 380 HA2 GLY 53 1HA GLY 53 4.352 -3.917 0.151 381 HA3 GLY 53 2HA GLY 53 4.739 -3.360 1.772 382 H TYR 54 H TYR 54 3.206 -5.849 -0.124 383 HA TYR 54 HA TYR 54 2.817 -7.457 2.309 384 HB2 TYR 54 1HB TYR 54 1.223 -8.771 1.075 385 HB3 TYR 54 2HB TYR 54 0.823 -7.072 0.848 386 HD1 TYR 54 1HD TYR 54 1.676 -5.948 -1.309 387 HD2 TYR 54 2HD TYR 54 1.502 -10.165 -0.773 388 HE1 TYR 54 1HE TYR 54 1.738 -6.254 -3.749 389 HE2 TYR 54 2HE TYR 54 1.565 -10.483 -3.211 390 HH TYR 54 HH TYR 54 0.999 -8.034 -5.399 391 H GLY 55 H GLY 55 3.417 -9.705 2.255 392 HA2 GLY 55 1HA GLY 55 4.821 -10.965 0.202 393 HA3 GLY 55 2HA GLY 55 6.005 -10.133 1.199 394 H VAL 56 H VAL 56 5.751 -12.974 0.794 395 HA VAL 56 HA VAL 56 4.495 -14.217 3.007 396 HB VAL 56 HB VAL 56 6.771 -15.217 1.290 397 HG11 VAL 56 1HG1 VAL 56 5.617 -17.457 2.111 398 HG12 VAL 56 2HG1 VAL 56 6.899 -16.675 3.038 399 HG13 VAL 56 3HG1 VAL 56 5.211 -16.446 3.497 400 HG21 VAL 56 3HG2 VAL 56 3.800 -15.711 1.106 401 HG22 VAL 56 1HG2 VAL 56 4.752 -14.706 0.013 402 HG23 VAL 56 2HG2 VAL 56 5.036 -16.446 0.084 403 H GLY 57 H GLY 57 5.039 -13.645 5.028 404 HA2 GLY 57 1HA GLY 57 6.360 -13.810 6.941 405 HA3 GLY 57 2HA GLY 57 7.737 -14.211 5.926 406 H SER 58 H SER 58 7.472 -11.919 4.190 407 HA SER 58 HA SER 58 8.073 -9.720 6.050 408 HB2 SER 58 1HB SER 58 9.810 -9.145 4.090 409 HB3 SER 58 2HB SER 58 10.245 -10.152 5.471 410 HG SER 58 HG SER 58 10.191 -10.803 2.879 411 HA PRO 59 HA PRO 59 5.134 -7.657 3.435 412 HB2 PRO 59 1HB PRO 59 5.348 -5.220 4.613 413 HB3 PRO 59 2HB PRO 59 4.454 -6.563 5.337 414 HG2 PRO 59 1HG PRO 59 7.224 -5.594 5.929 415 HG3 PRO 59 2HG PRO 59 5.951 -6.099 7.055 416 HD2 PRO 59 1HD PRO 59 8.007 -7.718 6.358 417 HD3 PRO 59 2HD PRO 59 6.389 -8.340 6.741 418 H TYR 60 H TYR 60 8.284 -7.674 3.058 419 HA TYR 60 HA TYR 60 8.381 -5.275 1.352 420 HB2 TYR 60 1HB TYR 60 10.817 -6.797 2.231 421 HB3 TYR 60 2HB TYR 60 10.690 -5.120 1.711 422 HD1 TYR 60 1HD TYR 60 9.100 -3.645 3.281 423 HD2 TYR 60 2HD TYR 60 11.127 -7.188 4.480 424 HE1 TYR 60 1HE TYR 60 8.960 -2.923 5.628 425 HE2 TYR 60 2HE TYR 60 10.991 -6.477 6.831 426 HH TYR 60 HH TYR 60 9.962 -3.300 7.733 427 H ALA 61 H ALA 61 7.535 -8.269 0.979 428 HA ALA 61 HA ALA 61 9.311 -9.155 -1.114 429 HB1 ALA 61 3HB ALA 61 6.624 -10.369 -0.705 430 HB2 ALA 61 1HB ALA 61 8.166 -11.137 -1.081 431 HB3 ALA 61 2HB ALA 61 7.843 -10.558 0.554 432 H GLU 62 H GLU 62 6.219 -7.524 -0.872 433 HA GLU 62 HA GLU 62 6.352 -6.918 -3.721 434 HB2 GLU 62 1HB GLU 62 3.927 -8.149 -2.403 435 HB3 GLU 62 2HB GLU 62 3.945 -7.456 -4.018 436 HG2 GLU 62 1HG GLU 62 4.254 -9.624 -4.571 437 HG3 GLU 62 2HG GLU 62 5.940 -9.173 -4.322 438 H THR 63 H THR 63 5.933 -4.839 -4.076 439 HA THR 63 HA THR 63 4.436 -3.348 -2.020 440 HB THR 63 HB THR 63 5.905 -1.409 -3.250 441 HG1 THR 63 1HG THR 63 7.431 -3.809 -3.214 442 HG21 THR 63 3HG2 THR 63 7.544 -1.986 -1.203 443 HG22 THR 63 1HG2 THR 63 6.153 -2.969 -0.747 444 HG23 THR 63 2HG2 THR 63 5.965 -1.232 -0.986 445 H VAL 64 H VAL 64 2.856 -1.964 -2.676 446 HA VAL 64 HA VAL 64 2.527 -1.438 -5.536 447 HB VAL 64 HB VAL 64 0.536 -2.859 -3.796 448 HG11 VAL 64 1HG1 VAL 64 -0.093 -1.309 -6.307 449 HG12 VAL 64 2HG1 VAL 64 -1.206 -2.373 -5.444 450 HG13 VAL 64 3HG1 VAL 64 -0.620 -0.898 -4.675 451 HG21 VAL 64 3HG2 VAL 64 0.314 -3.972 -6.208 452 HG22 VAL 64 1HG2 VAL 64 1.961 -3.357 -6.345 453 HG23 VAL 64 2HG2 VAL 64 1.541 -4.472 -5.044 454 H ARG 65 H ARG 65 2.468 0.705 -5.660 455 HA ARG 65 HA ARG 65 1.391 2.282 -3.466 456 HB2 ARG 65 1HB ARG 65 3.104 2.813 -5.835 457 HB3 ARG 65 2HB ARG 65 2.115 4.145 -5.250 458 HG2 ARG 65 1HG ARG 65 3.260 4.312 -3.275 459 HG3 ARG 65 2HG ARG 65 3.760 2.620 -3.296 460 HD2 ARG 65 1HD ARG 65 4.784 4.670 -5.247 461 HD3 ARG 65 2HD ARG 65 5.583 4.312 -3.717 462 HE ARG 65 HE ARG 65 5.521 2.652 -6.086 463 HH11 ARG 65 1HH1 ARG 65 6.149 2.833 -2.666 464 HH12 ARG 65 2HH1 ARG 65 7.171 1.434 -2.648 465 HH21 ARG 65 1HH2 ARG 65 6.865 0.809 -6.074 466 HH22 ARG 65 2HH2 ARG 65 7.579 0.284 -4.587 467 H VAL 66 H VAL 66 -0.759 2.472 -3.440 468 HA VAL 66 HA VAL 66 -2.225 2.727 -5.958 469 HB VAL 66 HB VAL 66 -4.251 2.602 -4.408 470 HG11 VAL 66 1HG1 VAL 66 -3.674 0.715 -5.733 471 HG12 VAL 66 2HG1 VAL 66 -2.313 0.314 -4.684 472 HG13 VAL 66 3HG1 VAL 66 -3.966 0.123 -4.097 473 HG21 VAL 66 3HG2 VAL 66 -2.321 2.903 -2.443 474 HG22 VAL 66 1HG2 VAL 66 -4.006 2.442 -2.199 475 HG23 VAL 66 2HG2 VAL 66 -2.764 1.198 -2.352 476 H ASP 67 H ASP 67 -4.206 4.256 -5.764 477 HA ASP 67 HA ASP 67 -3.152 6.897 -5.275 478 HB2 ASP 67 1HB ASP 67 -5.963 6.217 -6.133 479 HB3 ASP 67 2HB ASP 67 -5.078 7.715 -6.406 480 H SER 68 H SER 68 -4.611 8.541 -4.187 481 HA SER 68 HA SER 68 -5.063 7.695 -1.501 482 HB2 SER 68 1HB SER 68 -5.413 9.960 -0.998 483 HB3 SER 68 2HB SER 68 -4.298 10.017 -2.363 484 HG SER 68 HG SER 68 -6.921 10.839 -2.186 485 H LYS 69 H LYS 69 -6.861 7.129 -4.128 486 HA LYS 69 HA LYS 69 -9.457 7.624 -2.866 487 HB2 LYS 69 1HB LYS 69 -9.207 8.316 -5.202 488 HB3 LYS 69 2HB LYS 69 -8.773 6.672 -5.654 489 HG2 LYS 69 1HG LYS 69 -10.962 6.626 -6.226 490 HG3 LYS 69 2HG LYS 69 -11.121 6.151 -4.533 491 HD2 LYS 69 1HD LYS 69 -12.747 7.843 -4.957 492 HD3 LYS 69 2HD LYS 69 -11.469 8.574 -3.983 493 HE2 LYS 69 1HE LYS 69 -10.597 9.751 -5.811 494 HE3 LYS 69 2HE LYS 69 -11.451 8.745 -6.979 495 HZ1 LYS 69 3HZ LYS 69 -13.217 10.066 -6.888 496 HZ2 LYS 69 1HZ LYS 69 -12.269 11.173 -6.030 497 HZ3 LYS 69 2HZ LYS 69 -13.243 10.070 -5.197 498 H GLN 70 H GLN 70 -7.337 5.036 -3.910 499 HA GLN 70 HA GLN 70 -9.140 2.895 -3.680 500 HB2 GLN 70 1HB GLN 70 -6.194 2.707 -3.082 501 HB3 GLN 70 2HB GLN 70 -7.248 1.466 -3.746 502 HG2 GLN 70 1HG GLN 70 -6.245 3.948 -5.109 503 HG3 GLN 70 2HG GLN 70 -5.883 2.270 -5.509 504 HE21 GLN 70 1HE2 GLN 70 -8.613 4.507 -5.209 505 HE22 GLN 70 2HE2 GLN 70 -9.506 3.870 -6.544 506 H ARG 71 H ARG 71 -10.324 2.598 -1.895 507 HA ARG 71 HA ARG 71 -9.149 3.018 0.735 508 HB2 ARG 71 1HB ARG 71 -11.306 3.915 0.631 509 HB3 ARG 71 2HB ARG 71 -11.934 2.545 -0.275 510 HG2 ARG 71 1HG ARG 71 -12.150 1.228 1.606 511 HG3 ARG 71 2HG ARG 71 -10.955 2.153 2.516 512 HD2 ARG 71 1HD ARG 71 -12.522 4.045 2.616 513 HD3 ARG 71 2HD ARG 71 -13.717 3.087 1.742 514 HE ARG 71 HE ARG 71 -12.785 1.814 4.136 515 HH11 ARG 71 1HH1 ARG 71 -15.035 4.132 2.838 516 HH12 ARG 71 2HH1 ARG 71 -16.165 3.958 4.140 517 HH21 ARG 71 1HH2 ARG 71 -14.265 1.577 5.855 518 HH22 ARG 71 2HH2 ARG 71 -15.726 2.506 5.856 519 H TYR 72 H TYR 72 -9.190 0.555 -1.417 520 HA TYR 72 HA TYR 72 -8.404 -1.385 0.513 521 HB2 TYR 72 1HB TYR 72 -10.192 -2.817 0.598 522 HB3 TYR 72 2HB TYR 72 -11.058 -1.295 0.425 523 HD1 TYR 72 2HD TYR 72 -10.055 -4.394 -1.259 524 HD2 TYR 72 1HD TYR 72 -12.213 -0.746 -1.631 525 HE1 TYR 72 2HE TYR 72 -11.154 -5.257 -3.283 526 HE2 TYR 72 1HE TYR 72 -13.319 -1.599 -3.655 527 HH TYR 72 HH TYR 72 -12.635 -4.863 -4.884 528 H TYR 73 H TYR 73 -7.438 -3.205 -0.422 529 HA TYR 73 HA TYR 73 -7.339 -3.276 -3.356 530 HB2 TYR 73 1HB TYR 73 -5.358 -2.037 -2.417 531 HB3 TYR 73 2HB TYR 73 -4.885 -3.528 -1.610 532 HD1 TYR 73 2HD TYR 73 -4.403 -5.568 -3.056 533 HD2 TYR 73 1HD TYR 73 -4.759 -1.640 -4.651 534 HE1 TYR 73 2HE TYR 73 -3.204 -6.287 -5.080 535 HE2 TYR 73 1HE TYR 73 -3.562 -2.348 -6.680 536 HH TYR 73 HH TYR 73 -3.006 -5.592 -7.446 537 H SER 74 H SER 74 -7.418 -5.270 -4.211 538 HA SER 74 HA SER 74 -7.430 -7.533 -2.339 539 HB2 SER 74 1HB SER 74 -8.528 -7.427 -5.157 540 HB3 SER 74 2HB SER 74 -8.768 -8.715 -3.977 541 HG SER 74 HG SER 74 -9.580 -6.621 -2.736 542 H ILE 75 H ILE 75 -5.378 -8.263 -2.207 543 HA ILE 75 HA ILE 75 -3.616 -8.374 -4.461 544 HB ILE 75 HB ILE 75 -3.306 -9.736 -1.784 545 HG12 ILE 75 1HG1 ILE 75 -2.143 -7.081 -2.629 546 HG13 ILE 75 2HG1 ILE 75 -3.652 -7.217 -1.733 547 HG21 ILE 75 1HG2 ILE 75 -0.949 -9.798 -2.300 548 HG22 ILE 75 2HG2 ILE 75 -1.854 -10.581 -3.594 549 HG23 ILE 75 3HG2 ILE 75 -1.227 -8.948 -3.820 550 HD11 ILE 75 3HD1 ILE 75 -0.980 -7.222 -0.761 551 HD12 ILE 75 1HD1 ILE 75 -2.493 -7.250 0.144 552 HD13 ILE 75 2HD1 ILE 75 -1.740 -8.763 -0.361 553 H GLU 76 H GLU 76 -3.187 -10.025 -5.809 554 HA GLU 76 HA GLU 76 -4.363 -12.654 -5.218 555 HB2 GLU 76 1HB GLU 76 -4.444 -11.309 -7.924 556 HB3 GLU 76 2HB GLU 76 -5.106 -12.886 -7.519 557 HG2 GLU 76 1HG GLU 76 -6.455 -11.455 -5.749 558 HG3 GLU 76 2HG GLU 76 -6.148 -10.178 -6.924 559 H ARG 77 H ARG 77 -3.538 -14.220 -7.112 560 HA ARG 77 HA ARG 77 -1.781 -15.340 -8.030 561 HB2 ARG 77 1HB ARG 77 -0.278 -12.722 -7.916 562 HB3 ARG 77 2HB ARG 77 0.078 -14.109 -8.938 563 HG2 ARG 77 1HG ARG 77 -2.559 -12.726 -9.160 564 HG3 ARG 77 2HG ARG 77 -1.127 -12.050 -9.940 565 HD2 ARG 77 1HD ARG 77 -0.784 -14.174 -11.121 566 HD3 ARG 77 2HD ARG 77 -2.231 -14.827 -10.353 567 HE ARG 77 HE ARG 77 -3.203 -12.654 -11.563 568 HH11 ARG 77 1HH1 ARG 77 -1.095 -15.174 -12.714 569 HH12 ARG 77 2HH1 ARG 77 -1.640 -15.059 -14.355 570 HH21 ARG 77 1HH2 ARG 77 -3.929 -12.494 -13.719 571 HH22 ARG 77 2HH2 ARG 77 -3.252 -13.534 -14.926 572 H LEU 78 H LEU 78 -2.143 -15.332 -5.228 573 HA LEU 78 HA LEU 78 0.627 -15.445 -4.238 574 HB2 LEU 78 1HB LEU 78 -1.848 -15.420 -2.535 575 HB3 LEU 78 2HB LEU 78 -0.184 -15.103 -2.046 576 HG LEU 78 HG LEU 78 -1.709 -13.291 -3.905 577 HD11 LEU 78 1HD1 LEU 78 -3.015 -13.202 -1.972 578 HD12 LEU 78 2HD1 LEU 78 -1.893 -11.853 -1.797 579 HD13 LEU 78 3HD1 LEU 78 -1.617 -13.350 -0.908 580 HD21 LEU 78 3HD2 LEU 78 0.028 -11.692 -2.801 581 HD22 LEU 78 1HD2 LEU 78 0.524 -12.759 -4.116 582 HD23 LEU 78 2HD2 LEU 78 0.895 -13.187 -2.445 583 H GLU 79 H GLU 79 0.721 -17.107 -2.292 584 HA GLU 79 HA GLU 79 -0.136 -19.664 -3.429 585 HB2 GLU 79 1HB GLU 79 1.527 -20.667 -1.925 586 HB3 GLU 79 2HB GLU 79 2.243 -19.433 -2.953 587 HG2 GLU 79 1HG GLU 79 1.819 -17.862 -0.940 588 HG3 GLU 79 2HG GLU 79 1.691 -19.360 -0.021 589 H SER 80 H SER 80 -0.369 -21.383 -1.503 590 HA SER 80 HA SER 80 -2.445 -20.285 0.274 591 HB2 SER 80 1HB SER 80 -3.501 -22.478 0.233 592 HB3 SER 80 2HB SER 80 -3.259 -21.912 -1.419 593 HG SER 80 HG SER 80 -2.081 -24.028 -0.071 594 H SER 81 H SER 81 -2.604 -21.112 2.410 595 HA SER 81 HA SER 81 -1.736 -21.638 4.447 596 HB2 SER 81 1HB SER 81 -1.854 -23.917 3.493 597 HB3 SER 81 2HB SER 81 -0.217 -23.727 2.865 598 HG SER 81 HG SER 81 -1.021 -24.428 5.341 599 H SER 82 H SER 82 -0.567 -19.446 3.513 600 HA SER 82 HA SER 82 2.163 -19.693 4.512 601 HB2 SER 82 1HB SER 82 1.448 -18.524 1.817 602 HB3 SER 82 2HB SER 82 2.985 -18.220 2.628 603 HG SER 82 HG SER 82 3.501 -20.356 2.451 604 H HIS 83 H HIS 83 2.788 -17.993 5.728 605 HA HIS 83 HA HIS 83 0.828 -16.038 6.443 606 HB2 HIS 83 1HB HIS 83 2.540 -17.067 8.002 607 HB3 HIS 83 2HB HIS 83 3.744 -16.042 7.227 608 HD1 HIS 83 1HD HIS 83 3.275 -15.671 10.185 609 HD2 HIS 83 2HD HIS 83 1.163 -13.581 7.281 610 HE1 HIS 83 1HE HIS 83 2.436 -13.595 11.328 611 HE2 HIS 83 2HE HIS 83 1.089 -12.388 9.575 612 H TYR 84 H TYR 84 0.469 -14.151 5.494 613 HA TYR 84 HA TYR 84 2.623 -12.965 3.869 614 HB2 TYR 84 1HB TYR 84 -0.309 -13.239 3.396 615 HB3 TYR 84 2HB TYR 84 0.496 -11.798 2.785 616 HD1 TYR 84 1HD TYR 84 0.390 -15.484 2.585 617 HD2 TYR 84 2HD TYR 84 1.925 -11.900 0.880 618 HE1 TYR 84 1HE TYR 84 1.146 -16.750 0.616 619 HE2 TYR 84 2HE TYR 84 2.684 -13.156 -1.093 620 HH TYR 84 HH TYR 84 3.306 -15.530 -1.636 621 H VAL 85 H VAL 85 3.508 -11.428 5.116 622 HA VAL 85 HA VAL 85 2.004 -9.876 6.993 623 HB VAL 85 HB VAL 85 4.768 -9.221 5.988 624 HG11 VAL 85 1HG1 VAL 85 5.012 -8.395 8.341 625 HG12 VAL 85 2HG1 VAL 85 3.845 -7.504 7.362 626 HG13 VAL 85 3HG1 VAL 85 3.285 -8.679 8.553 627 HG21 VAL 85 3HG2 VAL 85 5.649 -10.655 7.766 628 HG22 VAL 85 1HG2 VAL 85 4.011 -11.183 8.152 629 HG23 VAL 85 2HG2 VAL 85 4.723 -11.587 6.590 630 H ILE 86 H ILE 86 0.729 -8.235 6.480 631 HA ILE 86 HA ILE 86 1.269 -6.728 4.015 632 HB ILE 86 HB ILE 86 -1.277 -6.754 5.636 633 HG12 ILE 86 1HG1 ILE 86 -0.989 -8.109 2.983 634 HG13 ILE 86 2HG1 ILE 86 -0.444 -8.943 4.434 635 HG21 ILE 86 1HG2 ILE 86 -1.967 -6.035 3.123 636 HG22 ILE 86 2HG2 ILE 86 -1.597 -4.893 4.414 637 HG23 ILE 86 3HG2 ILE 86 -0.357 -5.326 3.238 638 HD11 ILE 86 3HD1 ILE 86 -2.828 -8.300 5.310 639 HD12 ILE 86 1HD1 ILE 86 -3.192 -8.205 3.588 640 HD13 ILE 86 2HD1 ILE 86 -2.584 -9.709 4.279 641 H SER 87 H SER 87 2.020 -4.723 4.147 642 HA SER 87 HA SER 87 1.595 -3.218 6.643 643 HB2 SER 87 1HB SER 87 3.834 -2.305 6.482 644 HB3 SER 87 2HB SER 87 3.937 -4.065 6.443 645 HG SER 87 HG SER 87 3.698 -2.814 3.985 646 H LEU 88 H LEU 88 0.128 -1.727 6.091 647 HA LEU 88 HA LEU 88 0.405 -0.339 3.522 648 HB2 LEU 88 1HB LEU 88 -1.773 -1.098 3.690 649 HB3 LEU 88 2HB LEU 88 -1.857 -0.778 5.421 650 HG LEU 88 HG LEU 88 -1.742 1.721 4.689 651 HD11 LEU 88 1HD1 LEU 88 -1.252 1.313 2.345 652 HD12 LEU 88 2HD1 LEU 88 -2.806 2.127 2.520 653 HD13 LEU 88 3HD1 LEU 88 -2.751 0.399 2.173 654 HD21 LEU 88 3HD2 LEU 88 -4.067 1.845 4.837 655 HD22 LEU 88 1HD2 LEU 88 -3.668 0.359 5.698 656 HD23 LEU 88 2HD2 LEU 88 -4.296 0.282 4.052 657 H LYS 89 H LYS 89 0.697 1.844 3.378 658 HA LYS 89 HA LYS 89 0.648 3.487 5.772 659 HB2 LYS 89 1HB LYS 89 2.899 4.152 5.743 660 HB3 LYS 89 2HB LYS 89 2.961 2.406 5.542 661 HG2 LYS 89 1HG LYS 89 3.505 2.572 3.272 662 HG3 LYS 89 2HG LYS 89 3.012 4.265 3.190 663 HD2 LYS 89 1HD LYS 89 5.274 4.544 3.297 664 HD3 LYS 89 2HD LYS 89 4.911 4.516 5.024 665 HE2 LYS 89 1HE LYS 89 5.377 2.057 4.992 666 HE3 LYS 89 2HE LYS 89 5.930 2.242 3.328 667 HZ1 LYS 89 3HZ LYS 89 7.910 2.636 4.238 668 HZ2 LYS 89 1HZ LYS 89 7.269 2.894 5.783 669 HZ3 LYS 89 2HZ LYS 89 7.306 4.159 4.660 670 H ALA 90 H ALA 90 0.339 5.651 5.354 671 HA ALA 90 HA ALA 90 -0.556 6.298 2.687 672 HB1 ALA 90 3HB ALA 90 -1.930 7.118 4.420 673 HB2 ALA 90 1HB ALA 90 -0.558 7.811 5.285 674 HB3 ALA 90 2HB ALA 90 -1.095 8.526 3.764 675 H PHE 91 H PHE 91 0.286 7.869 1.327 676 HA PHE 91 HA PHE 91 2.856 9.066 2.074 677 HB2 PHE 91 1HB PHE 91 3.913 8.405 0.028 678 HB3 PHE 91 2HB PHE 91 3.232 6.955 0.757 679 HD1 PHE 91 1HD PHE 91 2.696 9.500 -1.870 680 HD2 PHE 91 2HD PHE 91 1.651 5.650 -0.386 681 HE1 PHE 91 1HE PHE 91 1.483 9.027 -3.958 682 HE2 PHE 91 2HE PHE 91 0.437 5.171 -2.472 683 HZ PHE 91 HZ PHE 91 0.353 6.860 -4.262 684 H ASN 92 H ASN 92 3.510 10.823 0.588 685 HA ASN 92 HA ASN 92 1.621 11.947 -1.225 686 HB2 ASN 92 1HB ASN 92 0.895 13.856 -0.004 687 HB3 ASN 92 2HB ASN 92 0.612 12.470 1.046 688 HD21 ASN 92 1HD2 ASN 92 0.632 14.787 2.266 689 HD22 ASN 92 2HD2 ASN 92 2.096 15.050 3.144 690 H ASN 93 H ASN 93 2.318 14.477 -1.464 691 HA ASN 93 HA ASN 93 4.779 14.489 -2.699 692 HB2 ASN 93 1HB ASN 93 2.941 16.598 -1.697 693 HB3 ASN 93 2HB ASN 93 4.584 17.095 -2.087 694 HD21 ASN 93 1HD2 ASN 93 1.686 17.195 -3.306 695 HD22 ASN 93 2HD2 ASN 93 1.997 16.935 -4.985 696 H ALA 94 H ALA 94 4.059 14.759 0.663 697 HA ALA 94 HA ALA 94 6.606 15.902 1.395 698 HB1 ALA 94 3HB ALA 94 5.503 14.833 3.694 699 HB2 ALA 94 1HB ALA 94 5.332 16.492 3.123 700 HB3 ALA 94 2HB ALA 94 4.103 15.291 2.726 701 H GLY 95 H GLY 95 5.223 12.726 1.035 702 HA2 GLY 95 1HA GLY 95 7.133 11.077 0.604 703 HA3 GLY 95 2HA GLY 95 7.643 11.531 2.223 704 H GLU 96 H GLU 96 7.318 9.759 3.422 705 HA GLU 96 HA GLU 96 4.651 8.510 3.306 706 HB2 GLU 96 1HB GLU 96 7.223 7.171 4.153 707 HB3 GLU 96 2HB GLU 96 5.654 6.408 3.940 708 HG2 GLU 96 1HG GLU 96 5.736 6.751 1.574 709 HG3 GLU 96 2HG GLU 96 7.205 7.714 1.720 710 H GLY 97 H GLY 97 3.679 7.882 5.263 711 HA2 GLY 97 1HA GLY 97 4.824 9.222 7.635 712 HA3 GLY 97 2HA GLY 97 3.100 9.071 7.327 713 H VAL 98 H VAL 98 3.730 8.287 9.718 714 HA VAL 98 HA VAL 98 4.808 5.975 10.470 715 HB VAL 98 HB VAL 98 3.555 7.218 12.074 716 HG11 VAL 98 1HG1 VAL 98 1.700 8.200 11.285 717 HG12 VAL 98 2HG1 VAL 98 1.396 6.913 10.117 718 HG13 VAL 98 3HG1 VAL 98 0.892 6.718 11.796 719 HG21 VAL 98 3HG2 VAL 98 2.566 5.490 13.308 720 HG22 VAL 98 1HG2 VAL 98 2.031 4.642 11.857 721 HG23 VAL 98 2HG2 VAL 98 3.743 4.672 12.279 722 HA PRO 99 HA PRO 99 2.973 3.115 7.498 723 HB2 PRO 99 1HB PRO 99 4.782 1.142 7.955 724 HB3 PRO 99 2HB PRO 99 5.114 2.526 6.907 725 HG2 PRO 99 1HG PRO 99 5.916 2.072 9.755 726 HG3 PRO 99 2HG PRO 99 6.873 2.728 8.414 727 HD2 PRO 99 1HD PRO 99 5.726 4.304 10.292 728 HD3 PRO 99 2HD PRO 99 5.941 4.827 8.609 729 H LEU 100 H LEU 100 1.549 1.465 7.773 730 HA LEU 100 HA LEU 100 1.205 0.455 10.516 731 HB2 LEU 100 1HB LEU 100 -0.616 1.801 9.183 732 HB3 LEU 100 2HB LEU 100 -0.920 0.233 8.437 733 HG LEU 100 HG LEU 100 -1.085 -0.551 10.951 734 HD11 LEU 100 1HD1 LEU 100 -2.397 1.443 12.074 735 HD12 LEU 100 2HD1 LEU 100 -1.320 2.409 11.066 736 HD13 LEU 100 3HD1 LEU 100 -0.649 1.278 12.241 737 HD21 LEU 100 3HD2 LEU 100 -3.572 0.674 10.577 738 HD22 LEU 100 1HD2 LEU 100 -3.102 -0.964 10.120 739 HD23 LEU 100 2HD2 LEU 100 -2.950 0.353 8.957 740 H TYR 101 H TYR 101 1.623 -1.615 10.886 741 HA TYR 101 HA TYR 101 2.009 -3.406 8.605 742 HB2 TYR 101 1HB TYR 101 2.919 -3.448 11.467 743 HB3 TYR 101 2HB TYR 101 2.941 -4.920 10.503 744 HD1 TYR 101 1HD TYR 101 4.184 -1.412 10.538 745 HD2 TYR 101 2HD TYR 101 4.746 -5.374 9.093 746 HE1 TYR 101 1HE TYR 101 6.358 -0.753 9.595 747 HE2 TYR 101 2HE TYR 101 6.922 -4.726 8.147 748 HH TYR 101 HH TYR 101 8.073 -2.696 7.399 749 H GLU 102 H GLU 102 1.271 -5.667 8.821 750 HA GLU 102 HA GLU 102 -0.888 -6.242 10.630 751 HB2 GLU 102 1HB GLU 102 -1.735 -4.829 8.541 752 HB3 GLU 102 2HB GLU 102 -1.711 -6.410 7.772 753 HG2 GLU 102 1HG GLU 102 -3.896 -5.660 8.811 754 HG3 GLU 102 2HG GLU 102 -3.321 -7.273 9.228 755 H SER 103 H SER 103 -1.966 -8.408 9.902 756 HA SER 103 HA SER 103 0.035 -10.151 8.643 757 HB2 SER 103 1HB SER 103 -0.529 -11.877 10.422 758 HB3 SER 103 2HB SER 103 0.428 -10.500 10.969 759 HG SER 103 HG SER 103 -1.253 -10.887 12.419 760 H ALA 104 H ALA 104 -0.774 -11.843 7.461 761 HA ALA 104 HA ALA 104 -3.546 -12.599 7.593 762 HB1 ALA 104 3HB ALA 104 -3.210 -10.412 6.118 763 HB2 ALA 104 1HB ALA 104 -2.811 -11.619 4.894 764 HB3 ALA 104 2HB ALA 104 -4.381 -11.663 5.699 765 H THR 105 H THR 105 -3.154 -14.730 7.663 766 HA THR 105 HA THR 105 -1.196 -15.910 5.843 767 HB THR 105 HB THR 105 -2.778 -17.281 8.023 768 HG1 THR 105 1HG THR 105 -1.047 -16.883 9.345 769 HG21 THR 105 3HG2 THR 105 -1.047 -18.998 7.859 770 HG22 THR 105 1HG2 THR 105 -0.258 -18.094 6.567 771 HG23 THR 105 2HG2 THR 105 -1.862 -18.782 6.310 772 H THR 106 H THR 106 -1.918 -16.444 3.891 773 HA THR 106 HA THR 106 -4.459 -16.621 2.953 774 HB THR 106 HB THR 106 -3.526 -18.383 1.300 775 HG1 THR 106 1HG THR 106 -1.693 -19.191 2.000 776 HG21 THR 106 3HG2 THR 106 -3.609 -16.292 0.373 777 HG22 THR 106 1HG2 THR 106 -1.860 -16.510 0.431 778 HG23 THR 106 2HG2 THR 106 -2.672 -15.558 1.674 779 H ARG 107 H ARG 107 -5.627 -18.627 2.153 780 HA ARG 107 HA ARG 107 -6.000 -20.406 4.432 781 HB2 ARG 107 1HB ARG 107 -7.638 -20.374 1.903 782 HB3 ARG 107 2HB ARG 107 -8.102 -20.966 3.493 783 HG2 ARG 107 1HG ARG 107 -7.545 -18.075 2.876 784 HG3 ARG 107 2HG ARG 107 -9.151 -18.806 2.842 785 HD2 ARG 107 1HD ARG 107 -7.321 -18.763 5.238 786 HD3 ARG 107 2HD ARG 107 -8.653 -17.640 4.967 787 HE ARG 107 HE ARG 107 -9.892 -20.008 4.821 788 HH11 ARG 107 1HH1 ARG 107 -7.635 -18.715 7.134 789 HH12 ARG 107 2HH1 ARG 107 -8.279 -19.621 8.464 790 HH21 ARG 107 1HH2 ARG 107 -10.749 -21.206 6.563 791 HH22 ARG 107 2HH2 ARG 107 -10.049 -21.038 8.137 792 H SER 108 H SER 108 -6.647 -22.741 3.769 793 HA SER 108 HA SER 108 -4.570 -23.739 1.933 794 HB2 SER 108 1HB SER 108 -4.539 -25.791 3.278 795 HB3 SER 108 2HB SER 108 -4.213 -24.382 4.287 796 HG SER 108 HG SER 108 -5.723 -25.752 5.281 797 H ILE 109 H ILE 109 -5.315 -24.542 0.097 798 HA ILE 109 HA ILE 109 -7.999 -24.913 -0.536 799 HB ILE 109 HB ILE 109 -5.546 -26.122 -1.811 800 HG12 ILE 109 1HG1 ILE 109 -6.430 -24.329 -3.583 801 HG13 ILE 109 2HG1 ILE 109 -7.080 -23.589 -2.124 802 HG21 ILE 109 1HG2 ILE 109 -7.333 -27.533 -2.448 803 HG22 ILE 109 2HG2 ILE 109 -8.423 -26.168 -2.683 804 HG23 ILE 109 3HG2 ILE 109 -7.080 -26.426 -3.796 805 HD11 ILE 109 3HD1 ILE 109 -4.229 -24.420 -2.146 806 HD12 ILE 109 1HD1 ILE 109 -4.701 -22.968 -3.027 807 HD13 ILE 109 2HD1 ILE 109 -5.015 -23.091 -1.295 808 H THR 110 H THR 110 -9.409 -26.556 -0.354 809 HA THR 110 HA THR 110 -8.839 -28.705 1.416 810 HB THR 110 HB THR 110 -11.088 -27.764 1.279 811 HG1 THR 110 1HG THR 110 -10.484 -30.374 1.164 812 HG21 THR 110 3HG2 THR 110 -12.442 -27.818 -0.605 813 HG22 THR 110 1HG2 THR 110 -11.509 -29.107 -1.365 814 HG23 THR 110 2HG2 THR 110 -10.858 -27.469 -1.297 815 H SER 111 H SER 111 -9.354 -28.514 -2.091 816 HA SER 111 HA SER 111 -7.697 -30.832 -2.506 817 HB2 SER 111 1HB SER 111 -10.672 -30.965 -2.811 818 HB3 SER 111 2HB SER 111 -9.656 -31.871 -3.932 819 HG SER 111 HG SER 111 -10.324 -32.997 -1.957 820 H GLY 112 H GLY 112 -6.530 -30.434 -4.262 821 HA2 GLY 112 1HA GLY 112 -7.611 -28.545 -6.251 822 HA3 GLY 112 2HA GLY 112 -5.902 -28.810 -5.938 823 HA PRO 113 HA PRO 113 -5.844 -31.465 -9.440 824 HB2 PRO 113 1HB PRO 113 -3.572 -32.844 -8.888 825 HB3 PRO 113 2HB PRO 113 -3.566 -31.165 -9.441 826 HG2 PRO 113 1HG PRO 113 -3.291 -32.245 -6.663 827 HG3 PRO 113 2HG PRO 113 -2.385 -30.940 -7.451 828 HD2 PRO 113 1HD PRO 113 -4.421 -30.467 -5.729 829 HD3 PRO 113 2HD PRO 113 -4.058 -29.395 -7.096 830 H SER 114 H SER 114 -6.698 -33.397 -9.966 831 HA SER 114 HA SER 114 -6.455 -35.709 -8.285 832 HB2 SER 114 1HB SER 114 -8.833 -36.000 -7.806 833 HB3 SER 114 2HB SER 114 -8.260 -34.482 -7.117 834 HG SER 114 HG SER 114 -10.074 -33.903 -8.145 835 H SER 115 H SER 115 -7.019 -37.611 -9.335 836 HA SER 115 HA SER 115 -7.570 -37.295 -12.204 837 HB2 SER 115 1HB SER 115 -6.583 -39.559 -12.438 838 HB3 SER 115 2HB SER 115 -5.461 -38.414 -11.705 839 HG SER 115 HG SER 115 -6.171 -39.287 -9.645 840 H GLY 116 H GLY 116 -9.055 -38.680 -13.255 841 HA2 GLY 116 1HA GLY 116 -11.066 -39.768 -13.464 842 HA3 GLY 116 2HA GLY 116 -10.589 -40.671 -12.033 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -20.058 22.992 -18.317 2 HA2 GLY 1 1HA GLY 1 -19.906 20.876 -16.671 3 HA3 GLY 1 2HA GLY 1 -19.204 20.834 -18.282 4 H SER 2 H SER 2 -18.258 22.465 -15.259 5 HA SER 2 HA SER 2 -15.505 21.660 -15.702 6 HB2 SER 2 1HB SER 2 -16.902 23.590 -13.911 7 HB3 SER 2 2HB SER 2 -15.342 22.961 -13.380 8 HG SER 2 HG SER 2 -15.823 24.164 -15.906 9 H SER 3 H SER 3 -17.145 19.474 -15.255 10 HA SER 3 HA SER 3 -17.180 18.657 -12.532 11 HB2 SER 3 1HB SER 3 -18.691 17.704 -14.246 12 HB3 SER 3 2HB SER 3 -17.304 16.949 -15.031 13 HG SER 3 HG SER 3 -18.636 16.243 -12.710 14 H GLY 4 H GLY 4 -15.580 17.911 -11.309 15 HA2 GLY 4 1HA GLY 4 -13.683 16.046 -11.869 16 HA3 GLY 4 2HA GLY 4 -12.952 17.541 -12.432 17 H SER 5 H SER 5 -13.599 19.378 -10.604 18 HA SER 5 HA SER 5 -12.710 20.212 -8.663 19 HB2 SER 5 1HB SER 5 -14.374 17.856 -7.800 20 HB3 SER 5 2HB SER 5 -13.564 18.881 -6.615 21 HG SER 5 HG SER 5 -15.523 19.799 -6.885 22 H SER 6 H SER 6 -10.904 18.514 -10.089 23 HA SER 6 HA SER 6 -9.615 16.575 -8.595 24 HB2 SER 6 1HB SER 6 -7.656 16.995 -9.979 25 HB3 SER 6 2HB SER 6 -9.111 17.102 -10.970 26 HG SER 6 HG SER 6 -7.911 18.868 -11.482 27 H GLY 7 H GLY 7 -7.289 16.853 -7.730 28 HA2 GLY 7 1HA GLY 7 -6.139 17.540 -5.844 29 HA3 GLY 7 2HA GLY 7 -6.166 19.084 -6.684 30 HA PRO 8 HA PRO 8 -9.795 18.969 -3.439 31 HB2 PRO 8 1HB PRO 8 -9.387 17.244 -1.383 32 HB3 PRO 8 2HB PRO 8 -10.276 16.802 -2.845 33 HG2 PRO 8 1HG PRO 8 -7.429 16.232 -2.115 34 HG3 PRO 8 2HG PRO 8 -8.629 15.160 -2.861 35 HD2 PRO 8 1HD PRO 8 -6.706 16.415 -4.295 36 HD3 PRO 8 2HD PRO 8 -8.313 16.059 -4.959 37 H GLU 9 H GLU 9 -6.514 19.248 -3.242 38 HA GLU 9 HA GLU 9 -5.757 19.813 -0.702 39 HB2 GLU 9 1HB GLU 9 -4.386 20.066 -2.815 40 HB3 GLU 9 2HB GLU 9 -5.115 21.655 -3.005 41 HG2 GLU 9 1HG GLU 9 -3.202 22.240 -1.938 42 HG3 GLU 9 2HG GLU 9 -4.244 21.974 -0.541 43 H ASN 10 H ASN 10 -7.394 20.587 0.611 44 HA ASN 10 HA ASN 10 -7.995 23.441 0.271 45 HB2 ASN 10 1HB ASN 10 -10.303 22.843 1.290 46 HB3 ASN 10 2HB ASN 10 -10.034 22.532 -0.423 47 HD21 ASN 10 1HD2 ASN 10 -11.592 20.942 -0.522 48 HD22 ASN 10 2HD2 ASN 10 -11.383 19.387 0.202 49 H ASP 11 H ASP 11 -6.754 24.222 1.888 50 HA ASP 11 HA ASP 11 -5.972 24.645 3.984 51 HB2 ASP 11 1HB ASP 11 -8.603 24.871 4.150 52 HB3 ASP 11 2HB ASP 11 -8.435 23.461 5.192 53 H LEU 12 H LEU 12 -5.080 22.247 2.924 54 HA LEU 12 HA LEU 12 -5.124 20.403 5.216 55 HB2 LEU 12 1HB LEU 12 -4.183 19.813 2.419 56 HB3 LEU 12 2HB LEU 12 -4.476 18.658 3.718 57 HG LEU 12 HG LEU 12 -6.593 20.274 2.298 58 HD11 LEU 12 1HD1 LEU 12 -6.815 17.429 2.029 59 HD12 LEU 12 2HD1 LEU 12 -5.234 17.967 1.464 60 HD13 LEU 12 3HD1 LEU 12 -6.700 18.666 0.777 61 HD21 LEU 12 3HD2 LEU 12 -6.621 18.438 4.638 62 HD22 LEU 12 1HD2 LEU 12 -7.978 18.387 3.512 63 HD23 LEU 12 2HD2 LEU 12 -7.567 19.895 4.330 64 H ASP 13 H ASP 13 -2.959 19.051 5.233 65 HA ASP 13 HA ASP 13 -0.733 20.980 5.128 66 HB2 ASP 13 1HB ASP 13 -1.566 20.266 7.436 67 HB3 ASP 13 2HB ASP 13 -0.912 18.674 7.062 68 H GLU 14 H GLU 14 0.444 20.458 3.393 69 HA GLU 14 HA GLU 14 0.828 17.651 2.688 70 HB2 GLU 14 1HB GLU 14 0.292 19.674 1.072 71 HB3 GLU 14 2HB GLU 14 2.036 19.887 1.122 72 HG2 GLU 14 1HG GLU 14 2.438 17.806 0.141 73 HG3 GLU 14 2HG GLU 14 0.802 17.237 0.471 74 H SER 15 H SER 15 2.549 20.378 3.989 75 HA SER 15 HA SER 15 5.186 19.641 3.536 76 HB2 SER 15 1HB SER 15 4.399 21.796 4.563 77 HB3 SER 15 2HB SER 15 4.148 20.922 6.073 78 HG SER 15 HG SER 15 6.630 20.953 4.713 79 H GLN 16 H GLN 16 2.829 18.211 5.596 80 HA GLN 16 HA GLN 16 4.904 16.537 6.846 81 HB2 GLN 16 1HB GLN 16 3.522 16.250 8.733 82 HB3 GLN 16 2HB GLN 16 3.405 17.960 8.339 83 HG2 GLN 16 1HG GLN 16 1.243 17.757 7.526 84 HG3 GLN 16 2HG GLN 16 1.389 16.015 7.298 85 HE21 GLN 16 1HE2 GLN 16 0.457 18.521 9.392 86 HE22 GLN 16 2HE2 GLN 16 0.029 17.547 10.753 87 H VAL 17 H VAL 17 4.665 14.310 6.860 88 HA VAL 17 HA VAL 17 3.254 13.195 4.650 89 HB VAL 17 HB VAL 17 4.057 11.014 5.496 90 HG11 VAL 17 1HG1 VAL 17 5.655 11.827 4.106 91 HG12 VAL 17 2HG1 VAL 17 5.834 13.332 5.009 92 HG13 VAL 17 3HG1 VAL 17 6.588 11.852 5.602 93 HG21 VAL 17 3HG2 VAL 17 4.047 11.092 7.803 94 HG22 VAL 17 1HG2 VAL 17 5.765 11.277 7.451 95 HG23 VAL 17 2HG2 VAL 17 4.792 12.690 7.858 96 HA PRO 18 HA PRO 18 -0.610 12.145 6.456 97 HB2 PRO 18 1HB PRO 18 -1.213 9.893 5.065 98 HB3 PRO 18 2HB PRO 18 -1.273 11.508 4.351 99 HG2 PRO 18 1HG PRO 18 0.874 9.431 4.160 100 HG3 PRO 18 2HG PRO 18 0.209 10.472 2.888 101 HD2 PRO 18 1HD PRO 18 2.560 11.001 4.124 102 HD3 PRO 18 2HD PRO 18 1.484 12.282 3.530 103 H ASP 19 H ASP 19 -1.264 11.109 8.245 104 HA ASP 19 HA ASP 19 0.462 9.237 9.534 105 HB2 ASP 19 1HB ASP 19 -2.147 10.537 10.182 106 HB3 ASP 19 2HB ASP 19 -1.682 9.100 11.089 107 H GLN 20 H GLN 20 -0.408 7.155 10.451 108 HA GLN 20 HA GLN 20 -1.137 5.429 8.350 109 HB2 GLN 20 1HB GLN 20 -1.185 3.683 9.999 110 HB3 GLN 20 2HB GLN 20 0.148 4.764 10.383 111 HG2 GLN 20 1HG GLN 20 -1.637 5.902 11.929 112 HG3 GLN 20 2HG GLN 20 -2.415 4.324 11.823 113 HE21 GLN 20 1HE2 GLN 20 0.378 3.173 11.465 114 HE22 GLN 20 2HE2 GLN 20 0.990 3.069 13.077 115 HA PRO 21 HA PRO 21 -5.522 5.504 8.273 116 HB2 PRO 21 1HB PRO 21 -6.111 2.901 7.776 117 HB3 PRO 21 2HB PRO 21 -5.409 3.976 6.561 118 HG2 PRO 21 1HG PRO 21 -4.062 1.939 8.292 119 HG3 PRO 21 2HG PRO 21 -3.818 2.280 6.569 120 HD2 PRO 21 1HD PRO 21 -2.141 3.197 8.487 121 HD3 PRO 21 2HD PRO 21 -2.464 4.097 6.992 122 H SER 22 H SER 22 -6.880 5.723 9.926 123 HA SER 22 HA SER 22 -6.697 5.051 12.474 124 HB2 SER 22 1HB SER 22 -8.998 5.337 12.722 125 HB3 SER 22 2HB SER 22 -8.691 6.134 11.179 126 HG SER 22 HG SER 22 -10.404 4.246 11.601 127 H SER 23 H SER 23 -7.698 2.794 9.959 128 HA SER 23 HA SER 23 -6.875 0.557 11.567 129 HB2 SER 23 1HB SER 23 -9.792 0.767 10.780 130 HB3 SER 23 2HB SER 23 -9.027 -0.599 11.592 131 HG SER 23 HG SER 23 -8.543 0.867 13.327 132 H LEU 24 H LEU 24 -6.603 -1.341 10.366 133 HA LEU 24 HA LEU 24 -7.176 -1.160 7.491 134 HB2 LEU 24 1HB LEU 24 -4.944 -0.609 7.428 135 HB3 LEU 24 2HB LEU 24 -4.554 -1.592 8.838 136 HG LEU 24 HG LEU 24 -4.905 -3.619 7.377 137 HD11 LEU 24 1HD1 LEU 24 -6.216 -2.607 5.617 138 HD12 LEU 24 2HD1 LEU 24 -4.719 -3.256 4.949 139 HD13 LEU 24 3HD1 LEU 24 -4.887 -1.520 5.213 140 HD21 LEU 24 3HD2 LEU 24 -2.721 -2.388 5.983 141 HD22 LEU 24 1HD2 LEU 24 -2.690 -3.622 7.243 142 HD23 LEU 24 2HD2 LEU 24 -2.699 -1.914 7.682 143 H HIS 25 H HIS 25 -8.669 -2.724 7.291 144 HA HIS 25 HA HIS 25 -8.421 -5.223 8.737 145 HB2 HIS 25 1HB HIS 25 -10.626 -4.110 8.411 146 HB3 HIS 25 2HB HIS 25 -10.483 -4.405 6.681 147 HD1 HIS 25 1HD HIS 25 -12.609 -5.888 6.720 148 HD2 HIS 25 2HD HIS 25 -9.501 -7.292 9.092 149 HE1 HIS 25 1HE HIS 25 -13.230 -8.252 7.312 150 HE2 HIS 25 2HE HIS 25 -11.376 -9.052 8.817 151 H VAL 26 H VAL 26 -7.561 -7.042 7.968 152 HA VAL 26 HA VAL 26 -7.189 -7.313 5.062 153 HB VAL 26 HB VAL 26 -4.991 -8.375 5.467 154 HG11 VAL 26 1HG1 VAL 26 -5.636 -5.565 5.824 155 HG12 VAL 26 2HG1 VAL 26 -4.096 -6.005 6.566 156 HG13 VAL 26 3HG1 VAL 26 -4.373 -6.321 4.853 157 HG21 VAL 26 3HG2 VAL 26 -3.953 -7.765 7.752 158 HG22 VAL 26 1HG2 VAL 26 -5.625 -7.628 8.298 159 HG23 VAL 26 2HG2 VAL 26 -5.028 -9.159 7.656 160 H ARG 27 H ARG 27 -8.189 -9.071 4.360 161 HA ARG 27 HA ARG 27 -8.489 -11.353 6.198 162 HB2 ARG 27 1HB ARG 27 -10.286 -10.141 4.164 163 HB3 ARG 27 2HB ARG 27 -10.336 -11.890 4.340 164 HG2 ARG 27 1HG ARG 27 -10.547 -11.289 6.895 165 HG3 ARG 27 2HG ARG 27 -11.154 -9.765 6.245 166 HD2 ARG 27 1HD ARG 27 -12.740 -11.127 4.840 167 HD3 ARG 27 2HD ARG 27 -12.236 -12.535 5.774 168 HE ARG 27 HE ARG 27 -13.152 -10.325 7.376 169 HH11 ARG 27 1HH1 ARG 27 -14.073 -13.194 5.631 170 HH12 ARG 27 2HH1 ARG 27 -15.526 -13.439 6.541 171 HH21 ARG 27 1HH2 ARG 27 -15.064 -10.637 8.581 172 HH22 ARG 27 2HH2 ARG 27 -16.090 -11.983 8.218 173 HA PRO 28 HA PRO 28 -5.618 -13.165 3.228 174 HB2 PRO 28 1HB PRO 28 -5.029 -15.313 4.780 175 HB3 PRO 28 2HB PRO 28 -4.292 -13.724 5.019 176 HG2 PRO 28 1HG PRO 28 -6.575 -14.993 6.481 177 HG3 PRO 28 2HG PRO 28 -5.208 -14.068 7.129 178 HD2 PRO 28 1HD PRO 28 -7.663 -12.983 6.776 179 HD3 PRO 28 2HD PRO 28 -6.169 -12.040 6.605 180 H GLN 29 H GLN 29 -6.587 -14.089 1.528 181 HA GLN 29 HA GLN 29 -8.589 -16.180 1.969 182 HB2 GLN 29 1HB GLN 29 -7.876 -14.991 -0.698 183 HB3 GLN 29 2HB GLN 29 -9.377 -15.764 -0.208 184 HG2 GLN 29 1HG GLN 29 -8.467 -13.204 1.048 185 HG3 GLN 29 2HG GLN 29 -9.345 -13.220 -0.481 186 HE21 GLN 29 1HE2 GLN 29 -10.795 -11.907 0.968 187 HE22 GLN 29 2HE2 GLN 29 -12.018 -12.768 1.832 188 H THR 30 H THR 30 -8.545 -17.881 0.081 189 HA THR 30 HA THR 30 -6.519 -19.654 0.499 190 HB THR 30 HB THR 30 -7.604 -19.542 -2.277 191 HG1 THR 30 1HG THR 30 -9.518 -19.147 -1.398 192 HG21 THR 30 3HG2 THR 30 -8.067 -21.995 -1.570 193 HG22 THR 30 1HG2 THR 30 -6.994 -21.635 -0.219 194 HG23 THR 30 2HG2 THR 30 -6.404 -21.494 -1.875 195 H ASN 31 H ASN 31 -6.730 -17.888 -2.590 196 HA ASN 31 HA ASN 31 -3.785 -17.816 -2.633 197 HB2 ASN 31 1HB ASN 31 -5.695 -17.855 -4.981 198 HB3 ASN 31 2HB ASN 31 -3.937 -17.824 -5.083 199 HD21 ASN 31 1HD2 ASN 31 -3.150 -19.627 -3.262 200 HD22 ASN 31 2HD2 ASN 31 -3.740 -21.201 -3.662 201 H CYS 32 H CYS 32 -6.362 -15.916 -2.059 202 HA CYS 32 HA CYS 32 -5.006 -13.529 -3.125 203 HB2 CYS 32 1HB CYS 32 -7.483 -12.591 -3.013 204 HB3 CYS 32 2HB CYS 32 -6.895 -13.457 -4.427 205 HG CYS 32 HG CYS 32 -9.500 -14.294 -3.944 206 H ILE 33 H ILE 33 -5.886 -11.496 -1.927 207 HA ILE 33 HA ILE 33 -6.618 -11.914 0.829 208 HB ILE 33 HB ILE 33 -3.916 -10.708 0.223 209 HG12 ILE 33 1HG1 ILE 33 -4.669 -13.354 1.482 210 HG13 ILE 33 2HG1 ILE 33 -3.836 -13.120 -0.051 211 HG21 ILE 33 1HG2 ILE 33 -4.625 -11.433 2.976 212 HG22 ILE 33 2HG2 ILE 33 -3.806 -10.002 2.352 213 HG23 ILE 33 3HG2 ILE 33 -5.565 -10.106 2.294 214 HD11 ILE 33 3HD1 ILE 33 -2.393 -11.788 2.019 215 HD12 ILE 33 1HD1 ILE 33 -2.717 -13.453 2.500 216 HD13 ILE 33 2HD1 ILE 33 -1.884 -13.120 0.981 217 H ILE 34 H ILE 34 -8.240 -10.477 0.826 218 HA ILE 34 HA ILE 34 -7.942 -7.900 -0.480 219 HB ILE 34 HB ILE 34 -10.257 -9.188 0.960 220 HG12 ILE 34 1HG1 ILE 34 -11.277 -9.020 -1.337 221 HG13 ILE 34 2HG1 ILE 34 -9.706 -8.495 -1.931 222 HG21 ILE 34 1HG2 ILE 34 -11.169 -6.942 -0.442 223 HG22 ILE 34 2HG2 ILE 34 -11.118 -7.171 1.305 224 HG23 ILE 34 3HG2 ILE 34 -9.765 -6.400 0.478 225 HD11 ILE 34 3HD1 ILE 34 -9.822 -11.029 -0.403 226 HD12 ILE 34 1HD1 ILE 34 -10.483 -11.014 -2.038 227 HD13 ILE 34 2HD1 ILE 34 -8.799 -10.567 -1.763 228 H MET 35 H MET 35 -7.612 -5.991 0.508 229 HA MET 35 HA MET 35 -7.734 -5.893 3.442 230 HB2 MET 35 1HB MET 35 -5.662 -4.338 3.213 231 HB3 MET 35 2HB MET 35 -5.436 -6.081 3.188 232 HG2 MET 35 1HG MET 35 -5.140 -6.104 0.844 233 HG3 MET 35 2HG MET 35 -5.698 -4.439 0.689 234 HE1 MET 35 3HE MET 35 -3.543 -2.180 1.254 235 HE2 MET 35 1HE MET 35 -4.732 -2.780 2.411 236 HE3 MET 35 2HE MET 35 -3.033 -2.673 2.870 237 H SER 36 H SER 36 -8.711 -4.130 4.243 238 HA SER 36 HA SER 36 -9.137 -1.839 2.444 239 HB2 SER 36 1HB SER 36 -11.281 -2.659 2.394 240 HB3 SER 36 2HB SER 36 -11.131 -3.448 3.964 241 HG SER 36 HG SER 36 -12.344 -1.775 4.494 242 H TRP 37 H TRP 37 -8.451 0.016 3.270 243 HA TRP 37 HA TRP 37 -8.210 0.241 6.199 244 HB2 TRP 37 1HB TRP 37 -6.292 1.759 5.798 245 HB3 TRP 37 2HB TRP 37 -6.008 0.135 5.177 246 HD1 TRP 37 HD TRP 37 -6.110 3.729 4.116 247 HE1 TRP 37 1HE TRP 37 -5.616 3.907 1.597 248 HE3 TRP 37 3HE TRP 37 -6.433 -1.220 2.875 249 HZ2 TRP 37 2HZ TRP 37 -5.393 2.178 -0.623 250 HZ3 TRP 37 3HZ TRP 37 -6.066 -1.874 0.532 251 HH2 TRP 37 HH TRP 37 -5.557 -0.209 -1.180 252 H THR 38 H THR 38 -7.914 2.726 6.754 253 HA THR 38 HA THR 38 -9.964 4.240 5.277 254 HB THR 38 HB THR 38 -10.266 5.262 7.757 255 HG1 THR 38 1HG THR 38 -8.779 3.429 8.430 256 HG21 THR 38 3HG2 THR 38 -12.076 3.223 7.852 257 HG22 THR 38 1HG2 THR 38 -11.670 3.258 6.136 258 HG23 THR 38 2HG2 THR 38 -12.284 4.710 6.927 259 HA PRO 39 HA PRO 39 -7.243 7.683 5.228 260 HB2 PRO 39 1HB PRO 39 -8.894 9.778 5.734 261 HB3 PRO 39 2HB PRO 39 -8.914 8.886 4.208 262 HG2 PRO 39 1HG PRO 39 -10.726 8.627 6.576 263 HG3 PRO 39 2HG PRO 39 -11.135 8.638 4.851 264 HD2 PRO 39 1HD PRO 39 -10.971 6.353 6.294 265 HD3 PRO 39 2HD PRO 39 -10.554 6.425 4.570 266 HA PRO 40 HA PRO 40 -5.835 8.919 9.205 267 HB2 PRO 40 1HB PRO 40 -5.031 11.482 8.809 268 HB3 PRO 40 2HB PRO 40 -4.155 10.089 8.162 269 HG2 PRO 40 1HG PRO 40 -6.096 11.910 6.791 270 HG3 PRO 40 2HG PRO 40 -4.554 11.266 6.196 271 HD2 PRO 40 1HD PRO 40 -6.945 10.216 5.479 272 HD3 PRO 40 2HD PRO 40 -5.478 9.230 5.635 273 H LEU 41 H LEU 41 -6.726 9.595 11.066 274 HA LEU 41 HA LEU 41 -9.283 10.592 11.272 275 HB2 LEU 41 1HB LEU 41 -6.962 10.713 13.176 276 HB3 LEU 41 2HB LEU 41 -8.563 11.310 13.610 277 HG LEU 41 HG LEU 41 -8.175 8.488 12.670 278 HD11 LEU 41 1HD1 LEU 41 -7.778 9.553 15.460 279 HD12 LEU 41 2HD1 LEU 41 -6.603 8.697 14.463 280 HD13 LEU 41 3HD1 LEU 41 -8.026 7.851 15.069 281 HD21 LEU 41 3HD2 LEU 41 -10.351 8.353 13.075 282 HD22 LEU 41 1HD2 LEU 41 -10.371 10.072 13.465 283 HD23 LEU 41 2HD2 LEU 41 -10.102 8.882 14.739 284 H ASN 42 H ASN 42 -6.443 12.279 10.443 285 HA ASN 42 HA ASN 42 -7.679 14.874 11.056 286 HB2 ASN 42 1HB ASN 42 -5.201 14.134 11.676 287 HB3 ASN 42 2HB ASN 42 -4.886 14.672 10.029 288 HD21 ASN 42 1HD2 ASN 42 -3.832 16.527 10.331 289 HD22 ASN 42 2HD2 ASN 42 -4.438 17.879 11.219 290 HA PRO 43 HA PRO 43 -8.608 14.681 6.621 291 HB2 PRO 43 1HB PRO 43 -10.539 16.586 6.733 292 HB3 PRO 43 2HB PRO 43 -10.831 14.896 7.161 293 HG2 PRO 43 1HG PRO 43 -10.304 17.240 8.948 294 HG3 PRO 43 2HG PRO 43 -11.490 15.935 9.135 295 HD2 PRO 43 1HD PRO 43 -9.137 15.969 10.475 296 HD3 PRO 43 2HD PRO 43 -9.924 14.461 9.966 297 H ASN 44 H ASN 44 -7.072 16.908 8.547 298 HA ASN 44 HA ASN 44 -6.962 19.022 6.542 299 HB2 ASN 44 1HB ASN 44 -5.644 18.860 9.262 300 HB3 ASN 44 2HB ASN 44 -5.701 20.280 8.222 301 HD21 ASN 44 1HD2 ASN 44 -7.699 18.014 10.029 302 HD22 ASN 44 2HD2 ASN 44 -8.996 19.115 10.327 303 H ILE 45 H ILE 45 -5.616 16.181 6.599 304 HA ILE 45 HA ILE 45 -2.911 17.118 5.900 305 HB ILE 45 HB ILE 45 -3.750 14.320 6.670 306 HG12 ILE 45 1HG1 ILE 45 -3.909 15.705 8.620 307 HG13 ILE 45 2HG1 ILE 45 -2.401 14.805 8.740 308 HG21 ILE 45 1HG2 ILE 45 -1.470 15.287 5.311 309 HG22 ILE 45 2HG2 ILE 45 -0.958 14.827 6.934 310 HG23 ILE 45 3HG2 ILE 45 -1.778 13.655 5.903 311 HD11 ILE 45 3HD1 ILE 45 -1.154 16.749 8.029 312 HD12 ILE 45 1HD1 ILE 45 -2.651 17.655 7.812 313 HD13 ILE 45 2HD1 ILE 45 -2.158 17.140 9.425 314 H VAL 46 H VAL 46 -1.994 16.514 3.963 315 HA VAL 46 HA VAL 46 -3.859 15.755 1.881 316 HB VAL 46 HB VAL 46 -0.918 16.415 1.666 317 HG11 VAL 46 1HG1 VAL 46 -1.192 16.523 -0.653 318 HG12 VAL 46 2HG1 VAL 46 -2.066 15.063 -0.186 319 HG13 VAL 46 3HG1 VAL 46 -2.952 16.548 -0.536 320 HG21 VAL 46 3HG2 VAL 46 -3.300 18.085 1.959 321 HG22 VAL 46 1HG2 VAL 46 -1.598 18.484 2.190 322 HG23 VAL 46 2HG2 VAL 46 -2.298 18.509 0.571 323 H VAL 47 H VAL 47 -3.779 13.921 0.635 324 HA VAL 47 HA VAL 47 -1.762 11.894 1.297 325 HB VAL 47 HB VAL 47 -4.740 11.391 1.227 326 HG11 VAL 47 1HG1 VAL 47 -2.397 9.512 1.353 327 HG12 VAL 47 2HG1 VAL 47 -4.014 9.051 1.889 328 HG13 VAL 47 3HG1 VAL 47 -3.739 9.515 0.210 329 HG21 VAL 47 3HG2 VAL 47 -4.687 11.108 3.508 330 HG22 VAL 47 1HG2 VAL 47 -2.965 10.729 3.529 331 HG23 VAL 47 2HG2 VAL 47 -3.498 12.395 3.309 332 H ARG 48 H ARG 48 -0.812 11.252 -0.511 333 HA ARG 48 HA ARG 48 -2.168 11.623 -3.067 334 HB2 ARG 48 1HB ARG 48 0.690 10.926 -2.376 335 HB3 ARG 48 2HB ARG 48 0.081 11.053 -4.021 336 HG2 ARG 48 1HG ARG 48 0.319 13.237 -1.971 337 HG3 ARG 48 2HG ARG 48 1.166 13.094 -3.513 338 HD2 ARG 48 1HD ARG 48 -1.174 13.154 -4.570 339 HD3 ARG 48 2HD ARG 48 -1.717 13.750 -3.002 340 HE ARG 48 HE ARG 48 0.294 15.424 -3.550 341 HH11 ARG 48 1HH1 ARG 48 -2.384 14.324 -5.483 342 HH12 ARG 48 2HH1 ARG 48 -2.483 15.784 -6.411 343 HH21 ARG 48 1HH2 ARG 48 0.174 17.351 -4.765 344 HH22 ARG 48 2HH2 ARG 48 -1.027 17.505 -6.002 345 H GLY 49 H GLY 49 -1.901 9.226 -0.809 346 HA2 GLY 49 1HA GLY 49 -3.251 7.232 -1.857 347 HA3 GLY 49 2HA GLY 49 -1.747 7.035 -2.746 348 H TYR 50 H TYR 50 -1.611 4.924 -1.779 349 HA TYR 50 HA TYR 50 -0.238 5.021 0.788 350 HB2 TYR 50 1HB TYR 50 -2.223 2.825 0.507 351 HB3 TYR 50 2HB TYR 50 -1.642 3.637 1.956 352 HD1 TYR 50 2HD TYR 50 -3.885 4.038 -0.973 353 HD2 TYR 50 1HD TYR 50 -2.881 5.380 2.937 354 HE1 TYR 50 2HE TYR 50 -5.938 5.390 -0.916 355 HE2 TYR 50 1HE TYR 50 -4.932 6.735 3.005 356 HH TYR 50 HH TYR 50 -7.043 6.933 1.983 357 H ILE 51 H ILE 51 1.238 3.359 1.098 358 HA ILE 51 HA ILE 51 1.878 1.841 -1.324 359 HB ILE 51 HB ILE 51 3.580 2.247 1.137 360 HG12 ILE 51 1HG1 ILE 51 3.957 3.614 -1.520 361 HG13 ILE 51 2HG1 ILE 51 2.951 4.321 -0.261 362 HG21 ILE 51 1HG2 ILE 51 4.721 1.570 -1.511 363 HG22 ILE 51 2HG2 ILE 51 5.244 1.098 0.105 364 HG23 ILE 51 3HG2 ILE 51 3.868 0.291 -0.646 365 HD11 ILE 51 3HD1 ILE 51 4.987 4.100 1.250 366 HD12 ILE 51 1HD1 ILE 51 5.901 3.808 -0.229 367 HD13 ILE 51 2HD1 ILE 51 5.038 5.331 -0.011 368 H ILE 52 H ILE 52 1.136 -0.167 -1.421 369 HA ILE 52 HA ILE 52 0.560 -1.640 1.026 370 HB ILE 52 HB ILE 52 0.032 -2.368 -1.858 371 HG12 ILE 52 1HG1 ILE 52 -1.939 -1.524 0.271 372 HG13 ILE 52 2HG1 ILE 52 -1.236 -0.403 -0.890 373 HG21 ILE 52 1HG2 ILE 52 -1.124 -4.259 -1.126 374 HG22 ILE 52 2HG2 ILE 52 0.337 -4.247 -0.140 375 HG23 ILE 52 3HG2 ILE 52 -1.190 -3.687 0.541 376 HD11 ILE 52 3HD1 ILE 52 -2.254 -2.584 -2.356 377 HD12 ILE 52 1HD1 ILE 52 -3.487 -2.112 -1.186 378 HD13 ILE 52 2HD1 ILE 52 -2.840 -0.921 -2.315 379 H GLY 53 H GLY 53 2.405 -2.447 1.885 380 HA2 GLY 53 1HA GLY 53 4.254 -3.884 0.103 381 HA3 GLY 53 2HA GLY 53 4.642 -3.293 1.712 382 H TYR 54 H TYR 54 3.261 -5.868 -0.144 383 HA TYR 54 HA TYR 54 2.863 -7.424 2.326 384 HB2 TYR 54 1HB TYR 54 1.282 -8.798 1.100 385 HB3 TYR 54 2HB TYR 54 0.823 -7.105 0.953 386 HD1 TYR 54 1HD TYR 54 1.631 -5.876 -1.189 387 HD2 TYR 54 2HD TYR 54 1.464 -10.111 -0.809 388 HE1 TYR 54 1HE TYR 54 1.612 -6.089 -3.639 389 HE2 TYR 54 2HE TYR 54 1.446 -10.336 -3.259 390 HH TYR 54 HH TYR 54 0.977 -7.650 -5.347 391 H GLY 55 H GLY 55 3.494 -9.658 2.303 392 HA2 GLY 55 1HA GLY 55 4.862 -10.939 0.234 393 HA3 GLY 55 2HA GLY 55 6.058 -10.082 1.195 394 H VAL 56 H VAL 56 5.750 -12.949 0.815 395 HA VAL 56 HA VAL 56 4.591 -14.132 3.115 396 HB VAL 56 HB VAL 56 6.730 -15.209 1.273 397 HG11 VAL 56 1HG1 VAL 56 4.928 -16.859 3.010 398 HG12 VAL 56 2HG1 VAL 56 6.435 -17.321 2.216 399 HG13 VAL 56 3HG1 VAL 56 6.466 -16.244 3.614 400 HG21 VAL 56 3HG2 VAL 56 4.183 -16.461 0.986 401 HG22 VAL 56 1HG2 VAL 56 3.982 -14.715 0.848 402 HG23 VAL 56 2HG2 VAL 56 5.114 -15.558 -0.209 403 H GLY 57 H GLY 57 5.271 -13.838 5.132 404 HA2 GLY 57 1HA GLY 57 6.728 -14.004 6.933 405 HA3 GLY 57 2HA GLY 57 8.044 -14.292 5.805 406 H SER 58 H SER 58 7.417 -11.878 4.243 407 HA SER 58 HA SER 58 7.987 -9.733 6.146 408 HB2 SER 58 1HB SER 58 9.713 -9.903 3.706 409 HB3 SER 58 2HB SER 58 10.038 -9.126 5.256 410 HG SER 58 HG SER 58 9.773 -11.925 5.077 411 HA PRO 59 HA PRO 59 5.123 -7.722 3.424 412 HB2 PRO 59 1HB PRO 59 5.272 -5.266 4.571 413 HB3 PRO 59 2HB PRO 59 4.381 -6.611 5.293 414 HG2 PRO 59 1HG PRO 59 7.121 -5.592 5.936 415 HG3 PRO 59 2HG PRO 59 5.829 -6.100 7.039 416 HD2 PRO 59 1HD PRO 59 7.924 -7.697 6.416 417 HD3 PRO 59 2HD PRO 59 6.307 -8.338 6.769 418 H TYR 60 H TYR 60 8.294 -7.677 3.148 419 HA TYR 60 HA TYR 60 8.392 -5.308 1.402 420 HB2 TYR 60 1HB TYR 60 10.818 -6.787 2.387 421 HB3 TYR 60 2HB TYR 60 10.701 -5.131 1.802 422 HD1 TYR 60 1HD TYR 60 8.946 -3.670 3.278 423 HD2 TYR 60 2HD TYR 60 11.170 -7.030 4.646 424 HE1 TYR 60 1HE TYR 60 8.731 -2.863 5.591 425 HE2 TYR 60 2HE TYR 60 10.959 -6.233 6.963 426 HH TYR 60 HH TYR 60 10.194 -3.225 7.810 427 H ALA 61 H ALA 61 7.404 -8.114 0.865 428 HA ALA 61 HA ALA 61 9.310 -9.059 -1.128 429 HB1 ALA 61 3HB ALA 61 6.637 -10.315 -0.700 430 HB2 ALA 61 1HB ALA 61 8.176 -11.061 -1.134 431 HB3 ALA 61 2HB ALA 61 7.896 -10.511 0.519 432 H GLU 62 H GLU 62 6.252 -7.397 -0.913 433 HA GLU 62 HA GLU 62 6.377 -6.824 -3.761 434 HB2 GLU 62 1HB GLU 62 4.156 -8.354 -2.448 435 HB3 GLU 62 2HB GLU 62 3.814 -7.314 -3.823 436 HG2 GLU 62 1HG GLU 62 5.829 -9.548 -3.833 437 HG3 GLU 62 2HG GLU 62 4.175 -9.682 -4.428 438 H THR 63 H THR 63 5.986 -4.739 -4.080 439 HA THR 63 HA THR 63 4.420 -3.282 -2.049 440 HB THR 63 HB THR 63 5.878 -1.319 -3.259 441 HG1 THR 63 1HG THR 63 8.097 -2.377 -3.059 442 HG21 THR 63 3HG2 THR 63 7.496 -1.875 -1.191 443 HG22 THR 63 1HG2 THR 63 6.115 -2.879 -0.755 444 HG23 THR 63 2HG2 THR 63 5.903 -1.145 -0.995 445 H VAL 64 H VAL 64 2.796 -1.972 -2.717 446 HA VAL 64 HA VAL 64 2.502 -1.418 -5.577 447 HB VAL 64 HB VAL 64 0.535 -2.905 -3.872 448 HG11 VAL 64 1HG1 VAL 64 -1.188 -2.436 -5.601 449 HG12 VAL 64 2HG1 VAL 64 -0.733 -1.019 -4.652 450 HG13 VAL 64 3HG1 VAL 64 -0.109 -1.223 -6.289 451 HG21 VAL 64 3HG2 VAL 64 1.703 -4.404 -5.182 452 HG22 VAL 64 1HG2 VAL 64 0.305 -4.058 -6.200 453 HG23 VAL 64 2HG2 VAL 64 1.850 -3.274 -6.529 454 H ARG 65 H ARG 65 2.404 0.724 -5.692 455 HA ARG 65 HA ARG 65 1.261 2.265 -3.504 456 HB2 ARG 65 1HB ARG 65 3.022 2.842 -5.825 457 HB3 ARG 65 2HB ARG 65 1.993 4.153 -5.262 458 HG2 ARG 65 1HG ARG 65 3.106 4.370 -3.289 459 HG3 ARG 65 2HG ARG 65 3.572 2.668 -3.238 460 HD2 ARG 65 1HD ARG 65 5.262 3.020 -4.904 461 HD3 ARG 65 2HD ARG 65 4.714 4.675 -5.174 462 HE ARG 65 HE ARG 65 5.564 4.105 -2.475 463 HH11 ARG 65 1HH1 ARG 65 6.506 5.206 -5.640 464 HH12 ARG 65 2HH1 ARG 65 7.896 6.068 -5.070 465 HH21 ARG 65 1HH2 ARG 65 7.392 5.237 -1.711 466 HH22 ARG 65 2HH2 ARG 65 8.400 6.084 -2.835 467 H VAL 66 H VAL 66 -0.858 2.604 -3.501 468 HA VAL 66 HA VAL 66 -2.289 2.787 -6.055 469 HB VAL 66 HB VAL 66 -4.334 2.707 -4.463 470 HG11 VAL 66 1HG1 VAL 66 -3.673 0.909 -5.990 471 HG12 VAL 66 2HG1 VAL 66 -2.555 0.289 -4.773 472 HG13 VAL 66 3HG1 VAL 66 -4.292 0.272 -4.467 473 HG21 VAL 66 3HG2 VAL 66 -2.458 2.906 -2.519 474 HG22 VAL 66 1HG2 VAL 66 -4.062 2.213 -2.283 475 HG23 VAL 66 2HG2 VAL 66 -2.682 1.158 -2.585 476 H ASP 67 H ASP 67 -4.370 4.270 -5.729 477 HA ASP 67 HA ASP 67 -3.312 6.933 -5.297 478 HB2 ASP 67 1HB ASP 67 -6.149 6.325 -6.081 479 HB3 ASP 67 2HB ASP 67 -5.168 7.730 -6.487 480 H SER 68 H SER 68 -4.675 8.561 -4.144 481 HA SER 68 HA SER 68 -5.160 7.673 -1.481 482 HB2 SER 68 1HB SER 68 -4.310 9.869 -1.673 483 HB3 SER 68 2HB SER 68 -5.507 10.316 -2.889 484 HG SER 68 HG SER 68 -5.698 10.302 -0.144 485 H LYS 69 H LYS 69 -6.964 7.143 -4.083 486 HA LYS 69 HA LYS 69 -9.548 7.710 -2.820 487 HB2 LYS 69 1HB LYS 69 -10.370 6.832 -5.133 488 HB3 LYS 69 2HB LYS 69 -9.683 8.447 -5.012 489 HG2 LYS 69 1HG LYS 69 -7.594 7.694 -5.903 490 HG3 LYS 69 2HG LYS 69 -8.126 6.012 -5.853 491 HD2 LYS 69 1HD LYS 69 -9.768 7.957 -7.392 492 HD3 LYS 69 2HD LYS 69 -8.225 7.445 -8.080 493 HE2 LYS 69 1HE LYS 69 -8.894 5.137 -7.990 494 HE3 LYS 69 2HE LYS 69 -10.371 5.555 -7.123 495 HZ1 LYS 69 3HZ LYS 69 -11.204 5.432 -9.207 496 HZ2 LYS 69 1HZ LYS 69 -9.740 5.828 -9.957 497 HZ3 LYS 69 2HZ LYS 69 -10.693 7.044 -9.270 498 H GLN 70 H GLN 70 -7.406 5.124 -3.676 499 HA GLN 70 HA GLN 70 -9.301 3.007 -3.540 500 HB2 GLN 70 1HB GLN 70 -6.351 2.742 -2.993 501 HB3 GLN 70 2HB GLN 70 -7.447 1.534 -3.651 502 HG2 GLN 70 1HG GLN 70 -6.450 4.020 -5.015 503 HG3 GLN 70 2HG GLN 70 -6.053 2.349 -5.409 504 HE21 GLN 70 1HE2 GLN 70 -8.875 4.469 -5.053 505 HE22 GLN 70 2HE2 GLN 70 -9.739 3.832 -6.406 506 H ARG 71 H ARG 71 -10.345 2.355 -1.790 507 HA ARG 71 HA ARG 71 -9.217 2.915 0.850 508 HB2 ARG 71 1HB ARG 71 -11.557 3.600 0.330 509 HB3 ARG 71 2HB ARG 71 -11.973 1.903 0.132 510 HG2 ARG 71 1HG ARG 71 -12.643 2.240 2.283 511 HG3 ARG 71 2HG ARG 71 -10.981 1.713 2.557 512 HD2 ARG 71 1HD ARG 71 -11.465 3.659 3.912 513 HD3 ARG 71 2HD ARG 71 -10.279 4.068 2.674 514 HE ARG 71 HE ARG 71 -11.785 5.532 1.761 515 HH11 ARG 71 1HH1 ARG 71 -13.443 3.406 3.964 516 HH12 ARG 71 2HH1 ARG 71 -14.935 4.283 3.893 517 HH21 ARG 71 1HH2 ARG 71 -13.745 6.695 1.659 518 HH22 ARG 71 2HH2 ARG 71 -15.106 6.153 2.581 519 H TYR 72 H TYR 72 -9.327 0.418 -1.353 520 HA TYR 72 HA TYR 72 -8.329 -1.470 0.569 521 HB2 TYR 72 1HB TYR 72 -10.019 -3.045 0.577 522 HB3 TYR 72 2HB TYR 72 -10.956 -1.556 0.546 523 HD1 TYR 72 2HD TYR 72 -9.902 -4.487 -1.380 524 HD2 TYR 72 1HD TYR 72 -12.194 -0.903 -1.436 525 HE1 TYR 72 2HE TYR 72 -11.038 -5.252 -3.423 526 HE2 TYR 72 1HE TYR 72 -13.337 -1.659 -3.478 527 HH TYR 72 HH TYR 72 -12.760 -4.872 -4.824 528 H TYR 73 H TYR 73 -7.441 -3.373 -0.422 529 HA TYR 73 HA TYR 73 -7.264 -3.328 -3.344 530 HB2 TYR 73 1HB TYR 73 -5.322 -2.062 -2.384 531 HB3 TYR 73 2HB TYR 73 -4.823 -3.543 -1.573 532 HD1 TYR 73 2HD TYR 73 -4.217 -5.549 -2.989 533 HD2 TYR 73 1HD TYR 73 -4.753 -1.662 -4.634 534 HE1 TYR 73 2HE TYR 73 -2.971 -6.234 -4.996 535 HE2 TYR 73 1HE TYR 73 -3.509 -2.336 -6.647 536 HH TYR 73 HH TYR 73 -2.753 -4.174 -7.814 537 H SER 74 H SER 74 -7.528 -5.290 -4.174 538 HA SER 74 HA SER 74 -7.455 -7.594 -2.379 539 HB2 SER 74 1HB SER 74 -8.452 -7.427 -5.233 540 HB3 SER 74 2HB SER 74 -8.694 -8.768 -4.113 541 HG SER 74 HG SER 74 -10.487 -7.700 -3.739 542 H ILE 75 H ILE 75 -5.478 -8.449 -2.190 543 HA ILE 75 HA ILE 75 -3.616 -8.473 -4.396 544 HB ILE 75 HB ILE 75 -3.348 -9.774 -1.684 545 HG12 ILE 75 1HG1 ILE 75 -2.216 -7.123 -2.588 546 HG13 ILE 75 2HG1 ILE 75 -3.715 -7.270 -1.676 547 HG21 ILE 75 1HG2 ILE 75 -1.154 -8.957 -3.568 548 HG22 ILE 75 2HG2 ILE 75 -1.042 -9.979 -2.136 549 HG23 ILE 75 3HG2 ILE 75 -1.867 -10.569 -3.578 550 HD11 ILE 75 3HD1 ILE 75 -1.862 -6.715 -0.222 551 HD12 ILE 75 1HD1 ILE 75 -2.488 -8.320 0.157 552 HD13 ILE 75 2HD1 ILE 75 -0.989 -8.150 -0.757 553 H GLU 76 H GLU 76 -3.400 -10.041 -5.846 554 HA GLU 76 HA GLU 76 -4.468 -12.710 -5.196 555 HB2 GLU 76 1HB GLU 76 -4.464 -11.412 -7.925 556 HB3 GLU 76 2HB GLU 76 -5.161 -12.969 -7.502 557 HG2 GLU 76 1HG GLU 76 -6.539 -11.485 -5.805 558 HG3 GLU 76 2HG GLU 76 -6.175 -10.232 -6.989 559 H ARG 77 H ARG 77 -3.598 -14.239 -7.160 560 HA ARG 77 HA ARG 77 -1.813 -15.387 -7.977 561 HB2 ARG 77 1HB ARG 77 -0.275 -12.794 -7.848 562 HB3 ARG 77 2HB ARG 77 0.027 -14.172 -8.897 563 HG2 ARG 77 1HG ARG 77 -2.493 -12.543 -9.033 564 HG3 ARG 77 2HG ARG 77 -1.048 -12.167 -9.974 565 HD2 ARG 77 1HD ARG 77 -2.570 -14.771 -10.050 566 HD3 ARG 77 2HD ARG 77 -2.668 -13.491 -11.258 567 HE ARG 77 HE ARG 77 -0.000 -14.468 -10.808 568 HH11 ARG 77 1HH1 ARG 77 -2.960 -14.914 -12.586 569 HH12 ARG 77 2HH1 ARG 77 -2.198 -15.749 -13.899 570 HH21 ARG 77 1HH2 ARG 77 1.014 -15.566 -12.531 571 HH22 ARG 77 2HH2 ARG 77 0.062 -16.121 -13.866 572 H LEU 78 H LEU 78 -2.215 -15.575 -5.274 573 HA LEU 78 HA LEU 78 0.536 -15.675 -4.225 574 HB2 LEU 78 1HB LEU 78 -1.901 -15.438 -2.492 575 HB3 LEU 78 2HB LEU 78 -0.216 -15.152 -2.063 576 HG LEU 78 HG LEU 78 -1.704 -13.393 -3.997 577 HD11 LEU 78 1HD1 LEU 78 -2.435 -12.009 -2.297 578 HD12 LEU 78 2HD1 LEU 78 -1.313 -12.688 -1.118 579 HD13 LEU 78 3HD1 LEU 78 -2.726 -13.613 -1.625 580 HD21 LEU 78 3HD2 LEU 78 0.402 -12.670 -4.258 581 HD22 LEU 78 1HD2 LEU 78 0.962 -13.459 -2.783 582 HD23 LEU 78 2HD2 LEU 78 0.159 -11.891 -2.694 583 H GLU 79 H GLU 79 0.672 -17.299 -2.338 584 HA GLU 79 HA GLU 79 -0.427 -19.817 -3.319 585 HB2 GLU 79 1HB GLU 79 1.228 -20.898 -1.932 586 HB3 GLU 79 2HB GLU 79 2.003 -19.622 -2.860 587 HG2 GLU 79 1HG GLU 79 1.477 -18.224 -0.674 588 HG3 GLU 79 2HG GLU 79 1.523 -19.828 0.055 589 H SER 80 H SER 80 -0.707 -21.447 -1.313 590 HA SER 80 HA SER 80 -2.708 -20.169 0.428 591 HB2 SER 80 1HB SER 80 -2.568 -22.846 -0.892 592 HB3 SER 80 2HB SER 80 -3.412 -22.716 0.651 593 HG SER 80 HG SER 80 -4.032 -20.759 -1.191 594 H SER 81 H SER 81 -2.974 -21.127 2.589 595 HA SER 81 HA SER 81 -2.078 -21.472 4.661 596 HB2 SER 81 1HB SER 81 -0.603 -23.638 3.144 597 HB3 SER 81 2HB SER 81 -0.793 -23.566 4.896 598 HG SER 81 HG SER 81 -3.153 -23.362 3.513 599 H SER 82 H SER 82 -0.917 -19.315 3.735 600 HA SER 82 HA SER 82 1.843 -19.566 4.657 601 HB2 SER 82 1HB SER 82 2.478 -17.930 2.749 602 HB3 SER 82 2HB SER 82 2.295 -19.639 2.357 603 HG SER 82 HG SER 82 0.061 -17.965 2.151 604 H HIS 83 H HIS 83 2.564 -17.832 5.803 605 HA HIS 83 HA HIS 83 0.586 -15.883 6.591 606 HB2 HIS 83 1HB HIS 83 1.934 -16.763 8.351 607 HB3 HIS 83 2HB HIS 83 3.422 -16.418 7.475 608 HD1 HIS 83 1HD HIS 83 4.256 -15.038 9.530 609 HD2 HIS 83 2HD HIS 83 0.846 -13.533 7.695 610 HE1 HIS 83 1HE HIS 83 3.987 -12.703 10.423 611 HE2 HIS 83 2HE HIS 83 1.870 -11.843 9.364 612 H TYR 84 H TYR 84 0.233 -14.176 5.334 613 HA TYR 84 HA TYR 84 2.499 -12.961 3.914 614 HB2 TYR 84 1HB TYR 84 -0.415 -13.172 3.364 615 HB3 TYR 84 2HB TYR 84 0.398 -11.705 2.829 616 HD1 TYR 84 1HD TYR 84 0.845 -15.416 2.715 617 HD2 TYR 84 2HD TYR 84 1.336 -11.690 0.719 618 HE1 TYR 84 1HE TYR 84 1.651 -16.600 0.716 619 HE2 TYR 84 2HE TYR 84 2.142 -12.864 -1.286 620 HH TYR 84 HH TYR 84 3.302 -15.750 -1.385 621 H VAL 85 H VAL 85 3.411 -11.388 5.067 622 HA VAL 85 HA VAL 85 1.941 -9.826 6.981 623 HB VAL 85 HB VAL 85 4.728 -9.259 5.981 624 HG11 VAL 85 1HG1 VAL 85 4.883 -8.542 8.471 625 HG12 VAL 85 2HG1 VAL 85 4.084 -7.477 7.312 626 HG13 VAL 85 3HG1 VAL 85 3.122 -8.493 8.386 627 HG21 VAL 85 3HG2 VAL 85 5.128 -10.626 8.278 628 HG22 VAL 85 1HG2 VAL 85 3.724 -11.477 7.634 629 HG23 VAL 85 2HG2 VAL 85 5.197 -11.353 6.673 630 H ILE 86 H ILE 86 0.670 -8.193 6.426 631 HA ILE 86 HA ILE 86 1.280 -6.674 3.986 632 HB ILE 86 HB ILE 86 -1.293 -6.664 5.563 633 HG12 ILE 86 1HG1 ILE 86 -0.987 -8.031 2.919 634 HG13 ILE 86 2HG1 ILE 86 -0.469 -8.869 4.378 635 HG21 ILE 86 1HG2 ILE 86 -0.304 -5.242 3.196 636 HG22 ILE 86 2HG2 ILE 86 -1.908 -5.951 3.018 637 HG23 ILE 86 3HG2 ILE 86 -1.588 -4.813 4.326 638 HD11 ILE 86 3HD1 ILE 86 -2.678 -9.560 3.939 639 HD12 ILE 86 1HD1 ILE 86 -2.768 -8.442 5.299 640 HD13 ILE 86 2HD1 ILE 86 -3.223 -7.903 3.682 641 H SER 87 H SER 87 2.034 -4.670 4.132 642 HA SER 87 HA SER 87 1.612 -3.184 6.640 643 HB2 SER 87 1HB SER 87 3.857 -2.258 6.453 644 HB3 SER 87 2HB SER 87 3.945 -4.019 6.459 645 HG SER 87 HG SER 87 4.844 -2.325 4.613 646 H LEU 88 H LEU 88 0.100 -1.735 6.060 647 HA LEU 88 HA LEU 88 0.384 -0.314 3.515 648 HB2 LEU 88 1HB LEU 88 -1.795 -1.121 3.764 649 HB3 LEU 88 2HB LEU 88 -1.865 -0.663 5.465 650 HG LEU 88 HG LEU 88 -1.750 1.765 4.560 651 HD11 LEU 88 1HD1 LEU 88 -2.640 0.250 2.113 652 HD12 LEU 88 2HD1 LEU 88 -1.222 1.286 2.269 653 HD13 LEU 88 3HD1 LEU 88 -2.838 1.988 2.344 654 HD21 LEU 88 3HD2 LEU 88 -4.086 1.901 4.629 655 HD22 LEU 88 1HD2 LEU 88 -3.696 0.501 5.630 656 HD23 LEU 88 2HD2 LEU 88 -4.290 0.271 3.985 657 H LYS 89 H LYS 89 0.925 1.783 3.385 658 HA LYS 89 HA LYS 89 0.848 3.449 5.785 659 HB2 LYS 89 1HB LYS 89 3.106 4.076 5.713 660 HB3 LYS 89 2HB LYS 89 3.140 2.333 5.485 661 HG2 LYS 89 1HG LYS 89 3.587 2.541 3.181 662 HG3 LYS 89 2HG LYS 89 3.191 4.261 3.184 663 HD2 LYS 89 1HD LYS 89 5.466 4.412 3.234 664 HD3 LYS 89 2HD LYS 89 5.154 4.323 4.969 665 HE2 LYS 89 1HE LYS 89 5.596 1.935 4.946 666 HE3 LYS 89 2HE LYS 89 5.831 1.975 3.200 667 HZ1 LYS 89 3HZ LYS 89 7.485 3.603 5.031 668 HZ2 LYS 89 1HZ LYS 89 7.804 3.177 3.425 669 HZ3 LYS 89 2HZ LYS 89 7.894 2.008 4.644 670 H ALA 90 H ALA 90 0.532 5.609 5.390 671 HA ALA 90 HA ALA 90 -0.415 6.291 2.754 672 HB1 ALA 90 3HB ALA 90 -0.201 8.023 5.213 673 HB2 ALA 90 1HB ALA 90 -1.117 8.384 3.750 674 HB3 ALA 90 2HB ALA 90 -1.596 7.035 4.781 675 H PHE 91 H PHE 91 0.352 8.006 1.458 676 HA PHE 91 HA PHE 91 2.981 9.104 2.105 677 HB2 PHE 91 1HB PHE 91 3.973 8.450 0.025 678 HB3 PHE 91 2HB PHE 91 3.294 7.000 0.757 679 HD1 PHE 91 1HD PHE 91 2.800 9.540 -1.869 680 HD2 PHE 91 2HD PHE 91 1.584 5.769 -0.315 681 HE1 PHE 91 1HE PHE 91 1.525 9.106 -3.928 682 HE2 PHE 91 2HE PHE 91 0.308 5.328 -2.371 683 HZ PHE 91 HZ PHE 91 0.278 6.998 -4.182 684 H ASN 92 H ASN 92 3.586 10.918 0.725 685 HA ASN 92 HA ASN 92 1.657 12.066 -1.054 686 HB2 ASN 92 1HB ASN 92 1.067 14.013 0.229 687 HB3 ASN 92 2HB ASN 92 0.691 12.592 1.201 688 HD21 ASN 92 1HD2 ASN 92 0.780 14.646 2.683 689 HD22 ASN 92 2HD2 ASN 92 2.273 14.843 3.530 690 H ASN 93 H ASN 93 2.374 14.563 -1.342 691 HA ASN 93 HA ASN 93 4.811 14.548 -2.626 692 HB2 ASN 93 1HB ASN 93 3.005 16.684 -1.614 693 HB3 ASN 93 2HB ASN 93 4.637 17.162 -2.072 694 HD21 ASN 93 1HD2 ASN 93 1.556 16.766 -3.157 695 HD22 ASN 93 2HD2 ASN 93 1.863 16.654 -4.853 696 H ALA 94 H ALA 94 4.190 14.724 0.731 697 HA ALA 94 HA ALA 94 6.742 15.924 1.405 698 HB1 ALA 94 3HB ALA 94 4.259 15.380 2.778 699 HB2 ALA 94 1HB ALA 94 5.650 14.855 3.728 700 HB3 ALA 94 2HB ALA 94 5.539 16.527 3.176 701 H GLY 95 H GLY 95 5.345 12.754 1.084 702 HA2 GLY 95 1HA GLY 95 7.250 11.100 0.642 703 HA3 GLY 95 2HA GLY 95 7.768 11.554 2.259 704 H GLU 96 H GLU 96 7.488 9.687 3.354 705 HA GLU 96 HA GLU 96 4.807 8.467 3.274 706 HB2 GLU 96 1HB GLU 96 7.392 7.157 4.131 707 HB3 GLU 96 2HB GLU 96 5.828 6.376 3.941 708 HG2 GLU 96 1HG GLU 96 5.886 6.731 1.561 709 HG3 GLU 96 2HG GLU 96 7.382 7.654 1.703 710 H GLY 97 H GLY 97 3.851 7.791 5.238 711 HA2 GLY 97 1HA GLY 97 4.971 9.143 7.616 712 HA3 GLY 97 2HA GLY 97 3.249 9.020 7.290 713 H VAL 98 H VAL 98 3.903 8.221 9.693 714 HA VAL 98 HA VAL 98 4.918 5.874 10.421 715 HB VAL 98 HB VAL 98 3.678 7.220 12.002 716 HG11 VAL 98 1HG1 VAL 98 1.688 7.235 10.089 717 HG12 VAL 98 2HG1 VAL 98 1.011 6.249 11.386 718 HG13 VAL 98 3HG1 VAL 98 1.568 7.888 11.722 719 HG21 VAL 98 3HG2 VAL 98 2.016 4.974 12.509 720 HG22 VAL 98 1HG2 VAL 98 3.534 4.391 11.825 721 HG23 VAL 98 2HG2 VAL 98 3.548 5.402 13.270 722 HA PRO 99 HA PRO 99 2.943 3.100 7.449 723 HB2 PRO 99 1HB PRO 99 4.726 1.087 7.823 724 HB3 PRO 99 2HB PRO 99 5.052 2.479 6.783 725 HG2 PRO 99 1HG PRO 99 5.934 1.969 9.598 726 HG3 PRO 99 2HG PRO 99 6.862 2.625 8.236 727 HD2 PRO 99 1HD PRO 99 5.805 4.197 10.171 728 HD3 PRO 99 2HD PRO 99 5.977 4.739 8.489 729 H LEU 100 H LEU 100 1.470 1.509 7.761 730 HA LEU 100 HA LEU 100 1.182 0.478 10.499 731 HB2 LEU 100 1HB LEU 100 -0.651 1.835 9.233 732 HB3 LEU 100 2HB LEU 100 -0.960 0.300 8.423 733 HG LEU 100 HG LEU 100 -1.194 -0.644 10.825 734 HD11 LEU 100 1HD1 LEU 100 -1.986 0.971 12.463 735 HD12 LEU 100 2HD1 LEU 100 -1.670 2.289 11.336 736 HD13 LEU 100 3HD1 LEU 100 -0.331 1.335 11.973 737 HD21 LEU 100 3HD2 LEU 100 -3.369 -0.684 10.346 738 HD22 LEU 100 1HD2 LEU 100 -2.978 0.308 8.941 739 HD23 LEU 100 2HD2 LEU 100 -3.503 1.073 10.442 740 H TYR 101 H TYR 101 1.600 -1.592 10.869 741 HA TYR 101 HA TYR 101 1.939 -3.394 8.589 742 HB2 TYR 101 1HB TYR 101 2.894 -3.428 11.436 743 HB3 TYR 101 2HB TYR 101 2.890 -4.906 10.481 744 HD1 TYR 101 1HD TYR 101 4.133 -1.394 10.427 745 HD2 TYR 101 2HD TYR 101 4.694 -5.394 9.091 746 HE1 TYR 101 1HE TYR 101 6.296 -0.756 9.443 747 HE2 TYR 101 2HE TYR 101 6.858 -4.768 8.105 748 HH TYR 101 HH TYR 101 8.189 -3.041 7.531 749 H GLU 102 H GLU 102 1.213 -5.667 8.863 750 HA GLU 102 HA GLU 102 -0.942 -6.199 10.690 751 HB2 GLU 102 1HB GLU 102 -1.644 -4.930 8.328 752 HB3 GLU 102 2HB GLU 102 -1.944 -6.629 7.986 753 HG2 GLU 102 1HG GLU 102 -3.304 -4.799 9.860 754 HG3 GLU 102 2HG GLU 102 -3.958 -6.092 8.856 755 H SER 103 H SER 103 -2.122 -8.345 9.682 756 HA SER 103 HA SER 103 -0.069 -10.126 8.603 757 HB2 SER 103 1HB SER 103 -0.493 -11.815 10.336 758 HB3 SER 103 2HB SER 103 0.112 -10.321 11.051 759 HG SER 103 HG SER 103 -2.657 -10.777 10.827 760 H ALA 104 H ALA 104 -0.864 -11.891 7.476 761 HA ALA 104 HA ALA 104 -3.666 -12.535 7.471 762 HB1 ALA 104 3HB ALA 104 -3.237 -10.428 5.962 763 HB2 ALA 104 1HB ALA 104 -2.686 -11.641 4.805 764 HB3 ALA 104 2HB ALA 104 -4.331 -11.710 5.440 765 H THR 105 H THR 105 -3.366 -14.674 7.650 766 HA THR 105 HA THR 105 -1.355 -16.002 5.997 767 HB THR 105 HB THR 105 -3.106 -17.402 7.999 768 HG1 THR 105 1HG THR 105 -0.780 -15.836 8.501 769 HG21 THR 105 3HG2 THR 105 -1.670 -19.116 7.769 770 HG22 THR 105 1HG2 THR 105 -0.259 -18.058 7.765 771 HG23 THR 105 2HG2 THR 105 -1.179 -18.307 6.281 772 H THR 106 H THR 106 -2.010 -16.538 4.018 773 HA THR 106 HA THR 106 -4.489 -16.679 2.948 774 HB THR 106 HB THR 106 -3.538 -18.555 1.431 775 HG1 THR 106 1HG THR 106 -1.503 -19.149 1.780 776 HG21 THR 106 3HG2 THR 106 -1.753 -16.779 0.582 777 HG22 THR 106 1HG2 THR 106 -2.614 -15.744 1.721 778 HG23 THR 106 2HG2 THR 106 -3.487 -16.517 0.398 779 H ARG 107 H ARG 107 -5.914 -18.448 2.367 780 HA ARG 107 HA ARG 107 -6.402 -20.181 4.625 781 HB2 ARG 107 1HB ARG 107 -7.938 -20.190 2.036 782 HB3 ARG 107 2HB ARG 107 -8.499 -20.643 3.640 783 HG2 ARG 107 1HG ARG 107 -7.779 -17.850 2.775 784 HG3 ARG 107 2HG ARG 107 -9.416 -18.497 2.896 785 HD2 ARG 107 1HD ARG 107 -8.582 -19.079 5.352 786 HD3 ARG 107 2HD ARG 107 -7.510 -17.716 5.033 787 HE ARG 107 HE ARG 107 -9.313 -16.305 5.170 788 HH11 ARG 107 1HH1 ARG 107 -10.434 -19.590 4.902 789 HH12 ARG 107 2HH1 ARG 107 -12.087 -19.191 5.229 790 HH21 ARG 107 1HH2 ARG 107 -11.487 -15.766 5.601 791 HH22 ARG 107 2HH2 ARG 107 -12.686 -17.015 5.625 792 H SER 108 H SER 108 -7.165 -22.502 4.038 793 HA SER 108 HA SER 108 -4.927 -23.766 2.660 794 HB2 SER 108 1HB SER 108 -6.976 -24.678 4.642 795 HB3 SER 108 2HB SER 108 -6.180 -25.878 3.624 796 HG SER 108 HG SER 108 -4.610 -25.751 5.002 797 H ILE 109 H ILE 109 -5.315 -25.591 1.212 798 HA ILE 109 HA ILE 109 -7.742 -25.175 -0.405 799 HB ILE 109 HB ILE 109 -4.954 -25.975 -1.197 800 HG12 ILE 109 1HG1 ILE 109 -6.848 -23.737 -1.835 801 HG13 ILE 109 2HG1 ILE 109 -5.164 -23.655 -1.329 802 HG21 ILE 109 1HG2 ILE 109 -7.431 -26.213 -2.900 803 HG22 ILE 109 2HG2 ILE 109 -5.772 -26.497 -3.425 804 HG23 ILE 109 3HG2 ILE 109 -6.514 -27.562 -2.230 805 HD11 ILE 109 3HD1 ILE 109 -4.729 -24.811 -3.629 806 HD12 ILE 109 1HD1 ILE 109 -6.312 -24.142 -4.028 807 HD13 ILE 109 2HD1 ILE 109 -5.001 -23.072 -3.532 808 H THR 110 H THR 110 -9.060 -26.853 -0.819 809 HA THR 110 HA THR 110 -8.370 -29.431 0.398 810 HB THR 110 HB THR 110 -10.785 -29.948 0.220 811 HG1 THR 110 1HG THR 110 -12.198 -28.400 -0.533 812 HG21 THR 110 3HG2 THR 110 -10.088 -27.358 1.605 813 HG22 THR 110 1HG2 THR 110 -9.992 -28.983 2.283 814 HG23 THR 110 2HG2 THR 110 -11.562 -28.280 1.895 815 H SER 111 H SER 111 -7.642 -30.976 -0.894 816 HA SER 111 HA SER 111 -8.053 -30.822 -3.759 817 HB2 SER 111 1HB SER 111 -6.395 -32.578 -1.964 818 HB3 SER 111 2HB SER 111 -6.627 -32.983 -3.664 819 HG SER 111 HG SER 111 -5.036 -31.090 -2.536 820 H GLY 112 H GLY 112 -10.202 -31.291 -4.126 821 HA2 GLY 112 1HA GLY 112 -11.589 -33.081 -4.930 822 HA3 GLY 112 2HA GLY 112 -10.941 -34.101 -3.654 823 HA PRO 113 HA PRO 113 -15.022 -31.882 -2.484 824 HB2 PRO 113 1HB PRO 113 -16.795 -33.858 -3.052 825 HB3 PRO 113 2HB PRO 113 -16.355 -32.599 -4.212 826 HG2 PRO 113 1HG PRO 113 -15.349 -35.410 -3.997 827 HG3 PRO 113 2HG PRO 113 -15.807 -34.493 -5.444 828 HD2 PRO 113 1HD PRO 113 -13.229 -34.834 -4.690 829 HD3 PRO 113 2HD PRO 113 -13.795 -33.372 -5.524 830 H SER 114 H SER 114 -13.166 -34.537 -1.737 831 HA SER 114 HA SER 114 -12.906 -35.827 0.118 832 HB2 SER 114 1HB SER 114 -14.406 -33.462 1.124 833 HB3 SER 114 2HB SER 114 -14.320 -34.871 2.181 834 HG SER 114 HG SER 114 -12.565 -33.200 2.278 835 H SER 115 H SER 115 -14.586 -36.927 -1.633 836 HA SER 115 HA SER 115 -16.860 -37.895 -0.030 837 HB2 SER 115 1HB SER 115 -17.446 -36.731 -2.167 838 HB3 SER 115 2HB SER 115 -16.571 -37.987 -3.042 839 HG SER 115 HG SER 115 -18.147 -39.359 -2.675 840 H GLY 116 H GLY 116 -14.211 -38.843 -2.161 841 HA2 GLY 116 1HA GLY 116 -13.684 -41.240 -0.807 842 HA3 GLY 116 2HA GLY 116 -14.712 -41.614 -2.182 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.805 18.188 -16.169 2 HA2 GLY 1 1HA GLY 1 -10.569 19.706 -16.903 3 HA3 GLY 1 2HA GLY 1 -10.617 18.260 -17.901 4 H SER 2 H SER 2 -11.995 16.442 -16.928 5 HA SER 2 HA SER 2 -14.421 17.607 -15.728 6 HB2 SER 2 1HB SER 2 -14.437 16.878 -18.255 7 HB3 SER 2 2HB SER 2 -14.588 15.256 -17.579 8 HG SER 2 HG SER 2 -16.519 16.936 -17.975 9 H SER 3 H SER 3 -12.844 14.475 -16.383 10 HA SER 3 HA SER 3 -14.075 12.792 -14.704 11 HB2 SER 3 1HB SER 3 -11.119 13.109 -15.201 12 HB3 SER 3 2HB SER 3 -11.755 11.798 -14.208 13 HG SER 3 HG SER 3 -12.201 10.802 -15.990 14 H GLY 4 H GLY 4 -11.531 15.059 -13.666 15 HA2 GLY 4 1HA GLY 4 -11.940 16.292 -11.580 16 HA3 GLY 4 2HA GLY 4 -12.587 14.798 -10.919 17 H SER 5 H SER 5 -10.058 16.774 -10.683 18 HA SER 5 HA SER 5 -7.907 14.851 -10.696 19 HB2 SER 5 1HB SER 5 -7.375 17.126 -11.305 20 HB3 SER 5 2HB SER 5 -8.042 17.735 -9.791 21 HG SER 5 HG SER 5 -6.076 17.523 -9.088 22 H SER 6 H SER 6 -6.782 14.077 -8.904 23 HA SER 6 HA SER 6 -8.184 13.162 -6.753 24 HB2 SER 6 1HB SER 6 -5.252 13.809 -7.025 25 HB3 SER 6 2HB SER 6 -5.909 13.066 -5.567 26 HG SER 6 HG SER 6 -5.228 11.444 -6.943 27 H GLY 7 H GLY 7 -8.136 13.725 -4.467 28 HA2 GLY 7 1HA GLY 7 -9.191 16.103 -3.781 29 HA3 GLY 7 2HA GLY 7 -8.163 15.200 -2.678 30 HA PRO 8 HA PRO 8 -5.974 19.053 -4.712 31 HB2 PRO 8 1HB PRO 8 -7.432 21.244 -4.046 32 HB3 PRO 8 2HB PRO 8 -7.639 20.380 -5.575 33 HG2 PRO 8 1HG PRO 8 -9.261 20.203 -3.064 34 HG3 PRO 8 2HG PRO 8 -9.810 20.269 -4.749 35 HD2 PRO 8 1HD PRO 8 -9.679 17.955 -3.349 36 HD3 PRO 8 2HD PRO 8 -9.404 18.027 -5.101 37 H GLU 9 H GLU 9 -5.269 21.159 -3.443 38 HA GLU 9 HA GLU 9 -5.226 20.558 -0.563 39 HB2 GLU 9 1HB GLU 9 -2.844 21.285 -0.526 40 HB3 GLU 9 2HB GLU 9 -3.114 19.802 -1.430 41 HG2 GLU 9 1HG GLU 9 -3.277 21.440 -3.467 42 HG3 GLU 9 2HG GLU 9 -2.358 22.507 -2.406 43 H ASN 10 H ASN 10 -6.372 22.172 0.302 44 HA ASN 10 HA ASN 10 -5.664 24.925 -0.473 45 HB2 ASN 10 1HB ASN 10 -8.361 23.697 0.015 46 HB3 ASN 10 2HB ASN 10 -8.107 25.419 0.285 47 HD21 ASN 10 1HD2 ASN 10 -7.808 22.863 -2.121 48 HD22 ASN 10 2HD2 ASN 10 -8.045 23.882 -3.496 49 H ASP 11 H ASP 11 -7.578 23.354 2.093 50 HA ASP 11 HA ASP 11 -6.110 24.982 4.056 51 HB2 ASP 11 1HB ASP 11 -8.740 24.998 3.743 52 HB3 ASP 11 2HB ASP 11 -8.641 23.562 4.758 53 H LEU 12 H LEU 12 -5.203 22.432 2.891 54 HA LEU 12 HA LEU 12 -5.256 20.710 5.274 55 HB2 LEU 12 1HB LEU 12 -4.345 19.966 2.504 56 HB3 LEU 12 2HB LEU 12 -4.657 18.882 3.859 57 HG LEU 12 HG LEU 12 -6.877 20.535 2.722 58 HD11 LEU 12 1HD1 LEU 12 -5.491 18.273 1.428 59 HD12 LEU 12 2HD1 LEU 12 -6.434 19.585 0.722 60 HD13 LEU 12 3HD1 LEU 12 -7.253 18.205 1.454 61 HD21 LEU 12 3HD2 LEU 12 -6.566 18.105 4.408 62 HD22 LEU 12 1HD2 LEU 12 -7.989 18.234 3.374 63 HD23 LEU 12 2HD2 LEU 12 -7.665 19.474 4.585 64 H ASP 13 H ASP 13 -3.089 19.269 5.205 65 HA ASP 13 HA ASP 13 -0.831 21.154 5.020 66 HB2 ASP 13 1HB ASP 13 -1.661 20.600 7.380 67 HB3 ASP 13 2HB ASP 13 -1.027 18.981 7.100 68 H GLU 14 H GLU 14 0.259 20.480 3.272 69 HA GLU 14 HA GLU 14 0.574 17.628 2.758 70 HB2 GLU 14 1HB GLU 14 0.015 19.401 0.976 71 HB3 GLU 14 2HB GLU 14 1.710 19.855 1.083 72 HG2 GLU 14 1HG GLU 14 2.426 17.750 0.300 73 HG3 GLU 14 2HG GLU 14 0.824 17.045 0.509 74 H SER 15 H SER 15 2.450 20.430 3.710 75 HA SER 15 HA SER 15 5.032 19.609 3.318 76 HB2 SER 15 1HB SER 15 4.258 21.799 4.320 77 HB3 SER 15 2HB SER 15 4.100 20.955 5.859 78 HG SER 15 HG SER 15 6.393 21.664 4.437 79 H GLN 16 H GLN 16 2.695 18.220 5.404 80 HA GLN 16 HA GLN 16 4.775 16.576 6.687 81 HB2 GLN 16 1HB GLN 16 3.367 16.304 8.579 82 HB3 GLN 16 2HB GLN 16 3.339 18.018 8.189 83 HG2 GLN 16 1HG GLN 16 1.177 17.868 7.252 84 HG3 GLN 16 2HG GLN 16 1.223 16.106 7.254 85 HE21 GLN 16 1HE2 GLN 16 -0.137 18.635 8.725 86 HE22 GLN 16 2HE2 GLN 16 -0.406 17.980 10.301 87 H VAL 17 H VAL 17 4.644 14.383 6.574 88 HA VAL 17 HA VAL 17 3.204 13.215 4.455 89 HB VAL 17 HB VAL 17 3.950 11.041 5.394 90 HG11 VAL 17 1HG1 VAL 17 6.501 11.935 5.533 91 HG12 VAL 17 2HG1 VAL 17 5.615 11.693 4.027 92 HG13 VAL 17 3HG1 VAL 17 5.714 13.302 4.745 93 HG21 VAL 17 3HG2 VAL 17 4.000 11.110 7.670 94 HG22 VAL 17 1HG2 VAL 17 5.696 11.474 7.352 95 HG23 VAL 17 2HG2 VAL 17 4.567 12.779 7.719 96 HA PRO 18 HA PRO 18 -0.720 12.291 6.204 97 HB2 PRO 18 1HB PRO 18 -1.360 10.060 4.797 98 HB3 PRO 18 2HB PRO 18 -1.367 11.678 4.087 99 HG2 PRO 18 1HG PRO 18 0.728 9.547 3.922 100 HG3 PRO 18 2HG PRO 18 0.110 10.609 2.644 101 HD2 PRO 18 1HD PRO 18 2.454 11.073 3.917 102 HD3 PRO 18 2HD PRO 18 1.421 12.383 3.310 103 H ASP 19 H ASP 19 -1.004 11.523 8.195 104 HA ASP 19 HA ASP 19 0.508 9.605 9.481 105 HB2 ASP 19 1HB ASP 19 -2.243 10.697 9.954 106 HB3 ASP 19 2HB ASP 19 -1.653 9.367 10.947 107 H GLN 20 H GLN 20 -0.583 7.549 10.494 108 HA GLN 20 HA GLN 20 -1.081 5.772 8.291 109 HB2 GLN 20 1HB GLN 20 -0.618 4.063 9.744 110 HB3 GLN 20 2HB GLN 20 0.204 5.380 10.570 111 HG2 GLN 20 1HG GLN 20 -1.953 5.684 11.885 112 HG3 GLN 20 2HG GLN 20 -2.430 4.116 11.237 113 HE21 GLN 20 1HE2 GLN 20 0.611 3.542 11.297 114 HE22 GLN 20 2HE2 GLN 20 0.873 3.030 12.926 115 HA PRO 21 HA PRO 21 -5.459 5.524 8.364 116 HB2 PRO 21 1HB PRO 21 -5.893 2.877 7.949 117 HB3 PRO 21 2HB PRO 21 -5.300 3.963 6.686 118 HG2 PRO 21 1HG PRO 21 -3.772 2.061 8.421 119 HG3 PRO 21 2HG PRO 21 -3.603 2.373 6.684 120 HD2 PRO 21 1HD PRO 21 -1.931 3.444 8.525 121 HD3 PRO 21 2HD PRO 21 -2.357 4.283 7.019 122 H SER 22 H SER 22 -6.846 5.634 10.006 123 HA SER 22 HA SER 22 -6.450 4.952 12.589 124 HB2 SER 22 1HB SER 22 -8.655 5.469 12.962 125 HB3 SER 22 2HB SER 22 -8.501 6.097 11.322 126 HG SER 22 HG SER 22 -9.118 3.686 10.879 127 H SER 23 H SER 23 -7.472 2.810 10.023 128 HA SER 23 HA SER 23 -6.794 0.504 11.590 129 HB2 SER 23 1HB SER 23 -9.652 0.625 10.635 130 HB3 SER 23 2HB SER 23 -8.914 -0.540 11.735 131 HG SER 23 HG SER 23 -10.259 1.450 12.501 132 H LEU 24 H LEU 24 -6.583 -1.382 10.343 133 HA LEU 24 HA LEU 24 -7.051 -1.094 7.458 134 HB2 LEU 24 1HB LEU 24 -4.797 -0.618 7.487 135 HB3 LEU 24 2HB LEU 24 -4.487 -1.672 8.866 136 HG LEU 24 HG LEU 24 -4.794 -3.631 7.365 137 HD11 LEU 24 1HD1 LEU 24 -4.505 -1.829 5.014 138 HD12 LEU 24 2HD1 LEU 24 -6.111 -2.091 5.694 139 HD13 LEU 24 3HD1 LEU 24 -5.165 -3.462 5.114 140 HD21 LEU 24 3HD2 LEU 24 -2.619 -1.752 7.431 141 HD22 LEU 24 1HD2 LEU 24 -2.679 -2.570 5.870 142 HD23 LEU 24 2HD2 LEU 24 -2.577 -3.515 7.356 143 H HIS 25 H HIS 25 -8.587 -2.597 7.162 144 HA HIS 25 HA HIS 25 -8.527 -5.121 8.566 145 HB2 HIS 25 1HB HIS 25 -10.715 -4.424 8.278 146 HB3 HIS 25 2HB HIS 25 -10.409 -3.779 6.668 147 HD1 HIS 25 1HD HIS 25 -12.282 -6.314 8.121 148 HD2 HIS 25 2HD HIS 25 -9.629 -6.252 4.924 149 HE1 HIS 25 1HE HIS 25 -12.854 -8.333 6.733 150 HE2 HIS 25 2HE HIS 25 -11.180 -8.321 4.851 151 H VAL 26 H VAL 26 -7.947 -7.079 7.775 152 HA VAL 26 HA VAL 26 -7.279 -7.332 4.938 153 HB VAL 26 HB VAL 26 -5.123 -8.376 5.417 154 HG11 VAL 26 1HG1 VAL 26 -4.155 -6.165 6.635 155 HG12 VAL 26 2HG1 VAL 26 -4.581 -6.246 4.925 156 HG13 VAL 26 3HG1 VAL 26 -5.725 -5.577 6.089 157 HG21 VAL 26 3HG2 VAL 26 -5.769 -7.680 8.276 158 HG22 VAL 26 1HG2 VAL 26 -5.473 -9.280 7.595 159 HG23 VAL 26 2HG2 VAL 26 -4.155 -8.114 7.716 160 H ARG 27 H ARG 27 -7.983 -9.198 4.127 161 HA ARG 27 HA ARG 27 -8.507 -11.422 5.988 162 HB2 ARG 27 1HB ARG 27 -10.234 -10.175 3.921 163 HB3 ARG 27 2HB ARG 27 -10.291 -11.928 4.046 164 HG2 ARG 27 1HG ARG 27 -10.567 -11.365 6.619 165 HG3 ARG 27 2HG ARG 27 -11.198 -9.855 5.959 166 HD2 ARG 27 1HD ARG 27 -13.053 -11.307 6.234 167 HD3 ARG 27 2HD ARG 27 -12.706 -11.248 4.506 168 HE ARG 27 HE ARG 27 -11.316 -13.416 5.502 169 HH11 ARG 27 1HH1 ARG 27 -14.637 -12.396 5.277 170 HH12 ARG 27 2HH1 ARG 27 -15.263 -14.009 5.195 171 HH21 ARG 27 1HH2 ARG 27 -12.128 -15.545 5.394 172 HH22 ARG 27 2HH2 ARG 27 -13.835 -15.800 5.263 173 HA PRO 28 HA PRO 28 -5.562 -13.266 3.118 174 HB2 PRO 28 1HB PRO 28 -5.078 -15.442 4.669 175 HB3 PRO 28 2HB PRO 28 -4.323 -13.870 4.956 176 HG2 PRO 28 1HG PRO 28 -6.689 -15.110 6.308 177 HG3 PRO 28 2HG PRO 28 -5.333 -14.218 7.022 178 HD2 PRO 28 1HD PRO 28 -7.751 -13.083 6.578 179 HD3 PRO 28 2HD PRO 28 -6.233 -12.166 6.481 180 H GLN 29 H GLN 29 -6.600 -14.061 1.375 181 HA GLN 29 HA GLN 29 -8.614 -16.147 1.708 182 HB2 GLN 29 1HB GLN 29 -7.774 -14.945 -0.916 183 HB3 GLN 29 2HB GLN 29 -9.312 -15.682 -0.488 184 HG2 GLN 29 1HG GLN 29 -8.294 -13.080 0.629 185 HG3 GLN 29 2HG GLN 29 -9.415 -13.227 -0.724 186 HE21 GLN 29 1HE2 GLN 29 -10.925 -12.009 0.493 187 HE22 GLN 29 2HE2 GLN 29 -11.851 -12.748 1.750 188 H THR 30 H THR 30 -8.505 -17.731 -0.359 189 HA THR 30 HA THR 30 -6.515 -19.576 0.160 190 HB THR 30 HB THR 30 -7.588 -19.442 -2.620 191 HG1 THR 30 1HG THR 30 -9.590 -19.409 -1.957 192 HG21 THR 30 3HG2 THR 30 -6.381 -21.395 -2.216 193 HG22 THR 30 1HG2 THR 30 -8.051 -21.898 -1.956 194 HG23 THR 30 2HG2 THR 30 -7.007 -21.558 -0.575 195 H ASN 31 H ASN 31 -6.694 -17.727 -2.885 196 HA ASN 31 HA ASN 31 -3.747 -17.706 -2.925 197 HB2 ASN 31 1HB ASN 31 -5.615 -17.661 -5.306 198 HB3 ASN 31 2HB ASN 31 -3.856 -17.735 -5.356 199 HD21 ASN 31 1HD2 ASN 31 -3.035 -19.611 -3.835 200 HD22 ASN 31 2HD2 ASN 31 -3.783 -21.137 -4.146 201 H CYS 32 H CYS 32 -6.089 -15.768 -2.089 202 HA CYS 32 HA CYS 32 -4.747 -13.391 -3.149 203 HB2 CYS 32 1HB CYS 32 -7.187 -12.391 -3.198 204 HB3 CYS 32 2HB CYS 32 -6.553 -13.282 -4.576 205 HG CYS 32 HG CYS 32 -7.927 -15.603 -4.092 206 H ILE 33 H ILE 33 -5.664 -11.374 -1.955 207 HA ILE 33 HA ILE 33 -6.566 -11.866 0.743 208 HB ILE 33 HB ILE 33 -3.853 -10.605 0.338 209 HG12 ILE 33 1HG1 ILE 33 -4.630 -13.348 1.345 210 HG13 ILE 33 2HG1 ILE 33 -3.655 -12.972 -0.072 211 HG21 ILE 33 1HG2 ILE 33 -3.932 -9.950 2.470 212 HG22 ILE 33 2HG2 ILE 33 -5.666 -10.253 2.379 213 HG23 ILE 33 3HG2 ILE 33 -4.586 -11.497 3.007 214 HD11 ILE 33 3HD1 ILE 33 -2.422 -11.768 2.173 215 HD12 ILE 33 1HD1 ILE 33 -2.812 -13.437 2.589 216 HD13 ILE 33 2HD1 ILE 33 -1.832 -13.089 1.165 217 H ILE 34 H ILE 34 -8.191 -10.434 0.694 218 HA ILE 34 HA ILE 34 -7.868 -7.840 -0.555 219 HB ILE 34 HB ILE 34 -10.200 -9.142 0.843 220 HG12 ILE 34 1HG1 ILE 34 -11.187 -8.950 -1.470 221 HG13 ILE 34 2HG1 ILE 34 -9.602 -8.433 -2.035 222 HG21 ILE 34 1HG2 ILE 34 -9.714 -6.337 0.269 223 HG22 ILE 34 2HG2 ILE 34 -11.184 -6.939 -0.495 224 HG23 ILE 34 3HG2 ILE 34 -10.972 -7.089 1.249 225 HD11 ILE 34 3HD1 ILE 34 -10.433 -10.962 -2.119 226 HD12 ILE 34 1HD1 ILE 34 -8.739 -10.512 -1.925 227 HD13 ILE 34 2HD1 ILE 34 -9.701 -10.959 -0.515 228 H MET 35 H MET 35 -7.637 -5.914 0.454 229 HA MET 35 HA MET 35 -7.717 -5.875 3.393 230 HB2 MET 35 1HB MET 35 -5.737 -4.166 3.078 231 HB3 MET 35 2HB MET 35 -5.430 -5.895 3.160 232 HG2 MET 35 1HG MET 35 -5.286 -6.019 0.751 233 HG3 MET 35 2HG MET 35 -5.697 -4.311 0.617 234 HE1 MET 35 3HE MET 35 -3.842 -2.296 1.056 235 HE2 MET 35 1HE MET 35 -4.307 -2.834 2.670 236 HE3 MET 35 2HE MET 35 -2.604 -2.602 2.275 237 H SER 36 H SER 36 -8.831 -4.221 4.223 238 HA SER 36 HA SER 36 -9.429 -1.930 2.468 239 HB2 SER 36 1HB SER 36 -11.491 -3.022 2.566 240 HB3 SER 36 2HB SER 36 -11.248 -3.539 4.235 241 HG SER 36 HG SER 36 -11.516 -0.817 3.516 242 H TRP 37 H TRP 37 -8.459 -0.181 3.234 243 HA TRP 37 HA TRP 37 -8.232 0.144 6.153 244 HB2 TRP 37 1HB TRP 37 -6.304 1.601 5.707 245 HB3 TRP 37 2HB TRP 37 -6.064 -0.003 5.020 246 HD1 TRP 37 HD TRP 37 -6.243 3.637 4.077 247 HE1 TRP 37 1HE TRP 37 -5.810 3.894 1.553 248 HE3 TRP 37 3HE TRP 37 -6.478 -1.283 2.708 249 HZ2 TRP 37 2HZ TRP 37 -5.596 2.231 -0.718 250 HZ3 TRP 37 3HZ TRP 37 -6.149 -1.866 0.340 251 HH2 TRP 37 HH TRP 37 -5.718 -0.143 -1.336 252 H THR 38 H THR 38 -7.749 2.735 6.471 253 HA THR 38 HA THR 38 -9.847 4.215 5.052 254 HB THR 38 HB THR 38 -10.111 5.234 7.571 255 HG1 THR 38 1HG THR 38 -9.463 3.778 8.953 256 HG21 THR 38 3HG2 THR 38 -11.776 4.268 5.757 257 HG22 THR 38 1HG2 THR 38 -12.277 4.494 7.433 258 HG23 THR 38 2HG2 THR 38 -11.808 2.893 6.860 259 HA PRO 39 HA PRO 39 -7.109 7.645 5.058 260 HB2 PRO 39 1HB PRO 39 -8.721 9.750 5.645 261 HB3 PRO 39 2HB PRO 39 -8.781 8.896 4.098 262 HG2 PRO 39 1HG PRO 39 -10.554 8.605 6.493 263 HG3 PRO 39 2HG PRO 39 -10.993 8.663 4.776 264 HD2 PRO 39 1HD PRO 39 -10.836 6.342 6.161 265 HD3 PRO 39 2HD PRO 39 -10.449 6.450 4.432 266 HA PRO 40 HA PRO 40 -5.613 8.777 9.035 267 HB2 PRO 40 1HB PRO 40 -4.805 11.346 8.691 268 HB3 PRO 40 2HB PRO 40 -3.949 9.968 7.989 269 HG2 PRO 40 1HG PRO 40 -5.909 11.833 6.708 270 HG3 PRO 40 2HG PRO 40 -4.383 11.198 6.064 271 HD2 PRO 40 1HD PRO 40 -6.794 10.180 5.369 272 HD3 PRO 40 2HD PRO 40 -5.328 9.183 5.468 273 H LEU 41 H LEU 41 -6.504 9.362 10.920 274 HA LEU 41 HA LEU 41 -9.028 10.329 11.252 275 HB2 LEU 41 1HB LEU 41 -6.614 10.494 13.021 276 HB3 LEU 41 2HB LEU 41 -8.167 11.148 13.538 277 HG LEU 41 HG LEU 41 -7.928 8.294 12.652 278 HD11 LEU 41 1HD1 LEU 41 -7.326 7.567 14.794 279 HD12 LEU 41 2HD1 LEU 41 -7.598 9.156 15.508 280 HD13 LEU 41 3HD1 LEU 41 -6.215 8.892 14.446 281 HD21 LEU 41 3HD2 LEU 41 -9.803 8.091 14.315 282 HD22 LEU 41 1HD2 LEU 41 -10.162 9.062 12.887 283 HD23 LEU 41 2HD2 LEU 41 -9.800 9.852 14.422 284 H ASN 42 H ASN 42 -6.231 12.124 10.389 285 HA ASN 42 HA ASN 42 -7.575 14.669 10.961 286 HB2 ASN 42 1HB ASN 42 -5.038 14.001 11.518 287 HB3 ASN 42 2HB ASN 42 -4.804 14.623 9.887 288 HD21 ASN 42 1HD2 ASN 42 -5.026 16.785 9.494 289 HD22 ASN 42 2HD2 ASN 42 -5.219 17.960 10.745 290 HA PRO 43 HA PRO 43 -8.530 14.352 6.530 291 HB2 PRO 43 1HB PRO 43 -10.598 16.108 6.642 292 HB3 PRO 43 2HB PRO 43 -10.760 14.403 7.081 293 HG2 PRO 43 1HG PRO 43 -10.402 16.790 8.853 294 HG3 PRO 43 2HG PRO 43 -11.486 15.401 9.053 295 HD2 PRO 43 1HD PRO 43 -9.136 15.619 10.381 296 HD3 PRO 43 2HD PRO 43 -9.810 14.053 9.883 297 H ASN 44 H ASN 44 -7.150 16.695 8.434 298 HA ASN 44 HA ASN 44 -7.230 18.820 6.446 299 HB2 ASN 44 1HB ASN 44 -5.747 18.747 9.082 300 HB3 ASN 44 2HB ASN 44 -6.061 20.166 8.087 301 HD21 ASN 44 1HD2 ASN 44 -7.660 17.604 9.913 302 HD22 ASN 44 2HD2 ASN 44 -9.037 18.544 10.368 303 H ILE 45 H ILE 45 -5.645 16.057 6.544 304 HA ILE 45 HA ILE 45 -3.060 17.187 5.703 305 HB ILE 45 HB ILE 45 -3.647 14.331 6.485 306 HG12 ILE 45 1HG1 ILE 45 -3.912 15.686 8.447 307 HG13 ILE 45 2HG1 ILE 45 -2.333 14.916 8.548 308 HG21 ILE 45 1HG2 ILE 45 -1.353 15.691 5.318 309 HG22 ILE 45 2HG2 ILE 45 -0.955 14.799 6.786 310 HG23 ILE 45 3HG2 ILE 45 -1.714 13.968 5.428 311 HD11 ILE 45 3HD1 ILE 45 -2.239 17.236 9.256 312 HD12 ILE 45 1HD1 ILE 45 -1.275 16.978 7.802 313 HD13 ILE 45 2HD1 ILE 45 -2.857 17.750 7.686 314 H VAL 46 H VAL 46 -2.237 16.749 3.707 315 HA VAL 46 HA VAL 46 -4.087 15.854 1.696 316 HB VAL 46 HB VAL 46 -1.181 16.645 1.449 317 HG11 VAL 46 1HG1 VAL 46 -2.176 17.079 -0.989 318 HG12 VAL 46 2HG1 VAL 46 -1.446 15.543 -0.518 319 HG13 VAL 46 3HG1 VAL 46 -3.201 15.726 -0.511 320 HG21 VAL 46 3HG2 VAL 46 -1.827 18.778 1.436 321 HG22 VAL 46 1HG2 VAL 46 -3.140 18.444 0.306 322 HG23 VAL 46 2HG2 VAL 46 -3.389 18.223 2.038 323 H VAL 47 H VAL 47 -3.988 14.020 0.450 324 HA VAL 47 HA VAL 47 -1.934 12.029 1.134 325 HB VAL 47 HB VAL 47 -4.897 11.487 0.903 326 HG11 VAL 47 1HG1 VAL 47 -2.542 9.632 1.151 327 HG12 VAL 47 2HG1 VAL 47 -4.192 9.148 1.549 328 HG13 VAL 47 3HG1 VAL 47 -3.790 9.648 -0.094 329 HG21 VAL 47 3HG2 VAL 47 -4.044 12.496 3.049 330 HG22 VAL 47 1HG2 VAL 47 -4.846 10.934 3.211 331 HG23 VAL 47 2HG2 VAL 47 -3.086 11.030 3.265 332 H ARG 48 H ARG 48 -0.930 11.292 -0.611 333 HA ARG 48 HA ARG 48 -2.165 11.709 -3.235 334 HB2 ARG 48 1HB ARG 48 0.691 11.002 -2.534 335 HB3 ARG 48 2HB ARG 48 0.086 11.381 -4.141 336 HG2 ARG 48 1HG ARG 48 0.234 13.248 -1.785 337 HG3 ARG 48 2HG ARG 48 1.231 13.291 -3.241 338 HD2 ARG 48 1HD ARG 48 -1.078 13.478 -4.455 339 HD3 ARG 48 2HD ARG 48 -1.639 14.030 -2.877 340 HE ARG 48 HE ARG 48 0.499 15.589 -3.270 341 HH11 ARG 48 1HH1 ARG 48 -2.178 14.775 -5.341 342 HH12 ARG 48 2HH1 ARG 48 -2.147 16.284 -6.192 343 HH21 ARG 48 1HH2 ARG 48 0.550 17.579 -4.383 344 HH22 ARG 48 2HH2 ARG 48 -0.594 17.878 -5.647 345 H GLY 49 H GLY 49 -1.935 9.314 -0.985 346 HA2 GLY 49 1HA GLY 49 -3.137 7.280 -2.163 347 HA3 GLY 49 2HA GLY 49 -1.544 7.131 -2.889 348 H TYR 50 H TYR 50 -1.747 4.972 -1.816 349 HA TYR 50 HA TYR 50 -0.453 5.111 0.797 350 HB2 TYR 50 1HB TYR 50 -2.552 3.023 0.514 351 HB3 TYR 50 2HB TYR 50 -1.992 3.868 1.953 352 HD1 TYR 50 2HD TYR 50 -4.166 4.132 -1.019 353 HD2 TYR 50 1HD TYR 50 -3.070 5.850 2.716 354 HE1 TYR 50 2HE TYR 50 -6.136 5.601 -1.124 355 HE2 TYR 50 1HE TYR 50 -5.037 7.323 2.622 356 HH TYR 50 HH TYR 50 -6.521 8.286 0.604 357 H ILE 51 H ILE 51 1.209 3.745 0.934 358 HA ILE 51 HA ILE 51 1.727 1.945 -1.276 359 HB ILE 51 HB ILE 51 3.447 2.336 1.167 360 HG12 ILE 51 1HG1 ILE 51 3.539 3.897 -1.424 361 HG13 ILE 51 2HG1 ILE 51 2.919 4.519 0.102 362 HG21 ILE 51 1HG2 ILE 51 3.676 0.511 -0.807 363 HG22 ILE 51 2HG2 ILE 51 4.610 1.840 -1.490 364 HG23 ILE 51 3HG2 ILE 51 5.045 1.174 0.084 365 HD11 ILE 51 3HD1 ILE 51 5.282 5.164 -0.545 366 HD12 ILE 51 1HD1 ILE 51 5.044 4.529 1.083 367 HD13 ILE 51 2HD1 ILE 51 5.722 3.497 -0.176 368 H ILE 52 H ILE 52 1.411 -0.184 -1.273 369 HA ILE 52 HA ILE 52 0.687 -1.471 1.274 370 HB ILE 52 HB ILE 52 0.028 -2.423 -1.514 371 HG12 ILE 52 1HG1 ILE 52 -1.915 -1.211 0.441 372 HG13 ILE 52 2HG1 ILE 52 -1.037 -0.216 -0.715 373 HG21 ILE 52 1HG2 ILE 52 -1.484 -3.958 -0.410 374 HG22 ILE 52 2HG2 ILE 52 0.152 -4.177 0.207 375 HG23 ILE 52 3HG2 ILE 52 -1.040 -3.300 1.165 376 HD11 ILE 52 3HD1 ILE 52 -2.901 -0.588 -1.930 377 HD12 ILE 52 1HD1 ILE 52 -2.003 -2.031 -2.399 378 HD13 ILE 52 2HD1 ILE 52 -3.241 -2.130 -1.146 379 H GLY 53 H GLY 53 2.560 -2.286 2.065 380 HA2 GLY 53 1HA GLY 53 4.332 -3.766 0.256 381 HA3 GLY 53 2HA GLY 53 4.732 -3.232 1.882 382 H TYR 54 H TYR 54 3.357 -5.737 -0.053 383 HA TYR 54 HA TYR 54 2.929 -7.359 2.370 384 HB2 TYR 54 1HB TYR 54 1.281 -8.641 1.144 385 HB3 TYR 54 2HB TYR 54 0.872 -6.932 1.041 386 HD1 TYR 54 1HD TYR 54 1.607 -5.679 -1.086 387 HD2 TYR 54 2HD TYR 54 1.464 -9.921 -0.797 388 HE1 TYR 54 1HE TYR 54 1.539 -5.838 -3.540 389 HE2 TYR 54 2HE TYR 54 1.397 -10.092 -3.250 390 HH TYR 54 HH TYR 54 1.133 -7.230 -5.284 391 H GLY 55 H GLY 55 3.422 -9.653 2.180 392 HA2 GLY 55 1HA GLY 55 4.734 -10.876 0.065 393 HA3 GLY 55 2HA GLY 55 5.979 -10.085 1.019 394 H VAL 56 H VAL 56 5.693 -12.903 0.581 395 HA VAL 56 HA VAL 56 4.527 -14.150 2.860 396 HB VAL 56 HB VAL 56 6.606 -15.202 0.936 397 HG11 VAL 56 1HG1 VAL 56 6.771 -16.564 2.836 398 HG12 VAL 56 2HG1 VAL 56 5.031 -16.525 3.123 399 HG13 VAL 56 3HG1 VAL 56 5.681 -17.436 1.759 400 HG21 VAL 56 3HG2 VAL 56 4.013 -16.387 0.683 401 HG22 VAL 56 1HG2 VAL 56 3.874 -14.632 0.569 402 HG23 VAL 56 2HG2 VAL 56 4.954 -15.504 -0.519 403 H GLY 57 H GLY 57 5.258 -13.932 4.868 404 HA2 GLY 57 1HA GLY 57 6.753 -14.177 6.629 405 HA3 GLY 57 2HA GLY 57 8.037 -14.456 5.462 406 H SER 58 H SER 58 7.368 -11.967 4.000 407 HA SER 58 HA SER 58 8.004 -9.886 5.938 408 HB2 SER 58 1HB SER 58 9.762 -10.080 3.517 409 HB3 SER 58 2HB SER 58 10.070 -9.281 5.059 410 HG SER 58 HG SER 58 9.992 -12.081 4.596 411 HA PRO 59 HA PRO 59 5.257 -7.705 3.243 412 HB2 PRO 59 1HB PRO 59 5.594 -5.242 4.332 413 HB3 PRO 59 2HB PRO 59 4.640 -6.512 5.107 414 HG2 PRO 59 1HG PRO 59 7.456 -5.658 5.654 415 HG3 PRO 59 2HG PRO 59 6.166 -6.061 6.802 416 HD2 PRO 59 1HD PRO 59 8.138 -7.801 6.157 417 HD3 PRO 59 2HD PRO 59 6.494 -8.330 6.567 418 H TYR 60 H TYR 60 8.421 -7.861 2.890 419 HA TYR 60 HA TYR 60 8.642 -5.520 1.123 420 HB2 TYR 60 1HB TYR 60 10.972 -7.221 1.957 421 HB3 TYR 60 2HB TYR 60 10.962 -5.541 1.434 422 HD1 TYR 60 1HD TYR 60 9.351 -4.031 3.057 423 HD2 TYR 60 2HD TYR 60 11.474 -7.544 4.176 424 HE1 TYR 60 1HE TYR 60 9.318 -3.296 5.404 425 HE2 TYR 60 2HE TYR 60 11.446 -6.819 6.526 426 HH TYR 60 HH TYR 60 11.234 -4.280 7.665 427 H ALA 61 H ALA 61 7.643 -8.521 0.854 428 HA ALA 61 HA ALA 61 9.270 -9.492 -1.315 429 HB1 ALA 61 3HB ALA 61 6.566 -10.610 -0.818 430 HB2 ALA 61 1HB ALA 61 8.088 -11.432 -1.165 431 HB3 ALA 61 2HB ALA 61 7.780 -10.790 0.449 432 H GLU 62 H GLU 62 6.302 -7.684 -0.954 433 HA GLU 62 HA GLU 62 6.326 -7.095 -3.799 434 HB2 GLU 62 1HB GLU 62 4.048 -8.487 -2.409 435 HB3 GLU 62 2HB GLU 62 3.796 -7.529 -3.861 436 HG2 GLU 62 1HG GLU 62 5.674 -9.015 -4.856 437 HG3 GLU 62 2HG GLU 62 5.275 -10.098 -3.524 438 H THR 63 H THR 63 6.027 -4.989 -4.059 439 HA THR 63 HA THR 63 4.597 -3.505 -1.952 440 HB THR 63 HB THR 63 6.016 -1.568 -3.226 441 HG1 THR 63 1HG THR 63 7.206 -2.993 -4.499 442 HG21 THR 63 3HG2 THR 63 7.773 -2.154 -1.312 443 HG22 THR 63 1HG2 THR 63 6.463 -3.214 -0.794 444 HG23 THR 63 2HG2 THR 63 6.184 -1.479 -0.951 445 H VAL 64 H VAL 64 2.895 -2.276 -2.509 446 HA VAL 64 HA VAL 64 2.507 -1.450 -5.271 447 HB VAL 64 HB VAL 64 0.655 -3.346 -3.847 448 HG11 VAL 64 1HG1 VAL 64 -0.863 -2.872 -5.877 449 HG12 VAL 64 2HG1 VAL 64 -0.880 -1.734 -4.528 450 HG13 VAL 64 3HG1 VAL 64 0.025 -1.354 -5.994 451 HG21 VAL 64 3HG2 VAL 64 0.720 -4.347 -6.226 452 HG22 VAL 64 1HG2 VAL 64 2.140 -3.325 -6.448 453 HG23 VAL 64 2HG2 VAL 64 2.127 -4.554 -5.183 454 H ARG 65 H ARG 65 2.178 0.661 -5.042 455 HA ARG 65 HA ARG 65 0.576 1.617 -2.773 456 HB2 ARG 65 1HB ARG 65 1.854 3.488 -2.714 457 HB3 ARG 65 2HB ARG 65 3.014 2.461 -3.546 458 HG2 ARG 65 1HG ARG 65 2.145 3.340 -5.706 459 HG3 ARG 65 2HG ARG 65 1.146 4.467 -4.786 460 HD2 ARG 65 1HD ARG 65 3.105 5.487 -3.822 461 HD3 ARG 65 2HD ARG 65 4.148 4.284 -4.580 462 HE ARG 65 HE ARG 65 2.747 5.524 -6.621 463 HH11 ARG 65 1HH1 ARG 65 5.037 6.418 -4.156 464 HH12 ARG 65 2HH1 ARG 65 5.727 7.710 -5.081 465 HH21 ARG 65 1HH2 ARG 65 3.647 7.223 -7.849 466 HH22 ARG 65 2HH2 ARG 65 4.935 8.168 -7.181 467 H VAL 66 H VAL 66 -1.389 2.440 -3.090 468 HA VAL 66 HA VAL 66 -2.306 2.809 -5.852 469 HB VAL 66 HB VAL 66 -4.594 2.766 -4.873 470 HG11 VAL 66 1HG1 VAL 66 -4.041 0.714 -5.741 471 HG12 VAL 66 2HG1 VAL 66 -2.690 0.485 -4.628 472 HG13 VAL 66 3HG1 VAL 66 -4.347 0.286 -4.058 473 HG21 VAL 66 3HG2 VAL 66 -3.051 2.840 -2.406 474 HG22 VAL 66 1HG2 VAL 66 -4.747 3.228 -2.693 475 HG23 VAL 66 2HG2 VAL 66 -4.259 1.556 -2.422 476 H ASP 67 H ASP 67 -4.378 4.461 -5.667 477 HA ASP 67 HA ASP 67 -3.114 7.016 -5.138 478 HB2 ASP 67 1HB ASP 67 -5.661 6.172 -6.498 479 HB3 ASP 67 2HB ASP 67 -5.365 7.861 -6.095 480 H SER 68 H SER 68 -4.704 8.764 -4.241 481 HA SER 68 HA SER 68 -5.340 7.943 -1.556 482 HB2 SER 68 1HB SER 68 -5.570 10.236 -1.060 483 HB3 SER 68 2HB SER 68 -4.304 10.185 -2.287 484 HG SER 68 HG SER 68 -5.606 11.671 -3.108 485 H LYS 69 H LYS 69 -6.942 6.979 -3.918 486 HA LYS 69 HA LYS 69 -9.591 7.873 -2.983 487 HB2 LYS 69 1HB LYS 69 -10.344 7.040 -5.301 488 HB3 LYS 69 2HB LYS 69 -9.489 8.575 -5.212 489 HG2 LYS 69 1HG LYS 69 -7.584 7.727 -6.186 490 HG3 LYS 69 2HG LYS 69 -7.955 6.067 -5.715 491 HD2 LYS 69 1HD LYS 69 -9.622 5.870 -7.392 492 HD3 LYS 69 2HD LYS 69 -9.599 7.606 -7.714 493 HE2 LYS 69 1HE LYS 69 -7.153 7.264 -8.378 494 HE3 LYS 69 2HE LYS 69 -7.528 5.541 -8.403 495 HZ1 LYS 69 3HZ LYS 69 -9.251 5.977 -10.040 496 HZ2 LYS 69 1HZ LYS 69 -7.750 6.526 -10.595 497 HZ3 LYS 69 2HZ LYS 69 -8.893 7.630 -10.015 498 H GLN 70 H GLN 70 -7.560 5.163 -3.865 499 HA GLN 70 HA GLN 70 -9.548 3.152 -3.684 500 HB2 GLN 70 1HB GLN 70 -6.610 2.752 -3.149 501 HB3 GLN 70 2HB GLN 70 -7.765 1.583 -3.776 502 HG2 GLN 70 1HG GLN 70 -6.634 3.984 -5.185 503 HG3 GLN 70 2HG GLN 70 -6.386 2.283 -5.576 504 HE21 GLN 70 1HE2 GLN 70 -9.023 4.620 -5.164 505 HE22 GLN 70 2HE2 GLN 70 -9.962 4.055 -6.499 506 H ARG 71 H ARG 71 -10.501 2.295 -1.963 507 HA ARG 71 HA ARG 71 -9.402 2.909 0.690 508 HB2 ARG 71 1HB ARG 71 -11.561 3.675 0.781 509 HB3 ARG 71 2HB ARG 71 -12.146 2.485 -0.374 510 HG2 ARG 71 1HG ARG 71 -12.206 0.784 1.284 511 HG3 ARG 71 2HG ARG 71 -11.347 1.801 2.442 512 HD2 ARG 71 1HD ARG 71 -13.581 1.925 3.116 513 HD3 ARG 71 2HD ARG 71 -13.319 3.413 2.208 514 HE ARG 71 HE ARG 71 -14.284 1.486 0.438 515 HH11 ARG 71 1HH1 ARG 71 -15.360 3.276 3.223 516 HH12 ARG 71 2HH1 ARG 71 -17.027 3.259 2.752 517 HH21 ARG 71 1HH2 ARG 71 -16.476 1.456 -0.193 518 HH22 ARG 71 2HH2 ARG 71 -17.661 2.223 0.810 519 H TYR 72 H TYR 72 -9.335 0.477 -1.494 520 HA TYR 72 HA TYR 72 -8.505 -1.457 0.443 521 HB2 TYR 72 1HB TYR 72 -10.203 -3.012 0.348 522 HB3 TYR 72 2HB TYR 72 -11.135 -1.523 0.246 523 HD1 TYR 72 1HD TYR 72 -11.731 -0.685 -2.126 524 HD2 TYR 72 2HD TYR 72 -10.447 -4.654 -1.286 525 HE1 TYR 72 1HE TYR 72 -12.726 -1.449 -4.242 526 HE2 TYR 72 2HE TYR 72 -11.437 -5.428 -3.400 527 HH TYR 72 HH TYR 72 -13.487 -3.401 -5.320 528 H TYR 73 H TYR 73 -7.428 -3.233 -0.487 529 HA TYR 73 HA TYR 73 -7.121 -3.175 -3.408 530 HB2 TYR 73 1HB TYR 73 -5.242 -1.932 -2.366 531 HB3 TYR 73 2HB TYR 73 -4.823 -3.375 -1.449 532 HD1 TYR 73 2HD TYR 73 -4.090 -5.437 -2.706 533 HD2 TYR 73 1HD TYR 73 -4.493 -1.641 -4.584 534 HE1 TYR 73 2HE TYR 73 -2.677 -6.212 -4.564 535 HE2 TYR 73 1HE TYR 73 -3.082 -2.405 -6.447 536 HH TYR 73 HH TYR 73 -1.222 -5.219 -6.310 537 H SER 74 H SER 74 -7.539 -5.107 -4.221 538 HA SER 74 HA SER 74 -7.524 -7.447 -2.501 539 HB2 SER 74 1HB SER 74 -8.193 -7.559 -5.420 540 HB3 SER 74 2HB SER 74 -8.882 -8.475 -4.080 541 HG SER 74 HG SER 74 -9.548 -6.127 -3.454 542 H ILE 75 H ILE 75 -5.437 -8.065 -2.161 543 HA ILE 75 HA ILE 75 -3.464 -8.138 -4.218 544 HB ILE 75 HB ILE 75 -3.426 -9.571 -1.561 545 HG12 ILE 75 1HG1 ILE 75 -2.494 -6.795 -2.318 546 HG13 ILE 75 2HG1 ILE 75 -3.788 -7.201 -1.196 547 HG21 ILE 75 1HG2 ILE 75 -1.039 -9.631 -1.820 548 HG22 ILE 75 2HG2 ILE 75 -1.781 -10.335 -3.256 549 HG23 ILE 75 3HG2 ILE 75 -1.135 -8.695 -3.311 550 HD11 ILE 75 3HD1 ILE 75 -2.073 -8.327 0.231 551 HD12 ILE 75 1HD1 ILE 75 -0.841 -7.656 -0.838 552 HD13 ILE 75 2HD1 ILE 75 -1.893 -6.579 0.081 553 H GLU 76 H GLU 76 -3.364 -9.562 -5.812 554 HA GLU 76 HA GLU 76 -4.399 -12.281 -5.338 555 HB2 GLU 76 1HB GLU 76 -4.205 -10.871 -8.002 556 HB3 GLU 76 2HB GLU 76 -4.980 -12.414 -7.673 557 HG2 GLU 76 1HG GLU 76 -6.428 -10.972 -6.028 558 HG3 GLU 76 2HG GLU 76 -5.917 -9.657 -7.083 559 H ARG 77 H ARG 77 -3.401 -13.868 -7.021 560 HA ARG 77 HA ARG 77 -1.577 -14.971 -7.827 561 HB2 ARG 77 1HB ARG 77 -0.069 -12.363 -7.654 562 HB3 ARG 77 2HB ARG 77 0.297 -13.750 -8.671 563 HG2 ARG 77 1HG ARG 77 -2.207 -12.106 -8.941 564 HG3 ARG 77 2HG ARG 77 -0.727 -11.801 -9.853 565 HD2 ARG 77 1HD ARG 77 -1.853 -13.129 -11.338 566 HD3 ARG 77 2HD ARG 77 -0.956 -14.354 -10.441 567 HE ARG 77 HE ARG 77 -3.312 -14.139 -9.095 568 HH11 ARG 77 1HH1 ARG 77 -2.441 -14.752 -12.410 569 HH12 ARG 77 2HH1 ARG 77 -3.836 -15.728 -12.732 570 HH21 ARG 77 1HH2 ARG 77 -5.152 -15.422 -9.507 571 HH22 ARG 77 2HH2 ARG 77 -5.378 -16.108 -11.081 572 H LEU 78 H LEU 78 -2.053 -15.334 -5.235 573 HA LEU 78 HA LEU 78 0.628 -15.303 -4.018 574 HB2 LEU 78 1HB LEU 78 -1.931 -15.148 -2.450 575 HB3 LEU 78 2HB LEU 78 -0.285 -14.899 -1.872 576 HG LEU 78 HG LEU 78 -1.683 -13.054 -3.803 577 HD11 LEU 78 1HD1 LEU 78 -2.955 -12.717 -1.923 578 HD12 LEU 78 2HD1 LEU 78 -1.637 -11.580 -1.643 579 HD13 LEU 78 3HD1 LEU 78 -1.642 -13.141 -0.824 580 HD21 LEU 78 3HD2 LEU 78 1.007 -13.325 -3.076 581 HD22 LEU 78 1HD2 LEU 78 0.410 -11.915 -2.200 582 HD23 LEU 78 2HD2 LEU 78 0.260 -11.991 -3.956 583 H GLU 79 H GLU 79 0.918 -17.011 -2.348 584 HA GLU 79 HA GLU 79 -0.044 -19.528 -3.383 585 HB2 GLU 79 1HB GLU 79 1.491 -20.541 -1.771 586 HB3 GLU 79 2HB GLU 79 2.297 -19.292 -2.708 587 HG2 GLU 79 1HG GLU 79 1.660 -17.766 -0.695 588 HG3 GLU 79 2HG GLU 79 1.519 -19.297 0.167 589 H SER 80 H SER 80 -0.468 -21.234 -1.492 590 HA SER 80 HA SER 80 -2.574 -20.074 0.215 591 HB2 SER 80 1HB SER 80 -3.942 -21.969 -0.144 592 HB3 SER 80 2HB SER 80 -3.306 -21.569 -1.739 593 HG SER 80 HG SER 80 -1.644 -23.180 -1.280 594 H SER 81 H SER 81 -2.756 -20.800 2.315 595 HA SER 81 HA SER 81 -2.131 -21.713 4.306 596 HB2 SER 81 1HB SER 81 -0.506 -23.697 2.702 597 HB3 SER 81 2HB SER 81 -1.083 -23.882 4.358 598 HG SER 81 HG SER 81 -2.304 -24.840 2.417 599 H SER 82 H SER 82 -0.853 -19.490 3.750 600 HA SER 82 HA SER 82 1.734 -19.871 4.972 601 HB2 SER 82 1HB SER 82 1.470 -18.779 2.168 602 HB3 SER 82 2HB SER 82 2.884 -18.484 3.180 603 HG SER 82 HG SER 82 2.999 -20.346 1.725 604 H HIS 83 H HIS 83 2.579 -17.971 5.892 605 HA HIS 83 HA HIS 83 0.586 -16.012 6.556 606 HB2 HIS 83 1HB HIS 83 2.139 -16.754 8.268 607 HB3 HIS 83 2HB HIS 83 3.511 -16.224 7.299 608 HD1 HIS 83 1HD HIS 83 4.370 -14.533 8.997 609 HD2 HIS 83 2HD HIS 83 0.425 -13.877 7.871 610 HE1 HIS 83 1HE HIS 83 3.777 -12.269 9.916 611 HE2 HIS 83 2HE HIS 83 1.359 -11.931 9.296 612 H TYR 84 H TYR 84 0.468 -13.895 5.946 613 HA TYR 84 HA TYR 84 2.458 -12.928 4.009 614 HB2 TYR 84 1HB TYR 84 -0.485 -13.186 3.684 615 HB3 TYR 84 2HB TYR 84 0.265 -11.730 3.039 616 HD1 TYR 84 1HD TYR 84 0.171 -15.410 2.811 617 HD2 TYR 84 2HD TYR 84 1.629 -11.808 1.078 618 HE1 TYR 84 1HE TYR 84 0.842 -16.656 0.800 619 HE2 TYR 84 2HE TYR 84 2.303 -13.044 -0.938 620 HH TYR 84 HH TYR 84 2.855 -16.013 -1.176 621 H VAL 85 H VAL 85 3.453 -11.400 5.191 622 HA VAL 85 HA VAL 85 2.078 -9.730 7.067 623 HB VAL 85 HB VAL 85 4.816 -9.167 5.956 624 HG11 VAL 85 1HG1 VAL 85 5.022 -8.593 8.522 625 HG12 VAL 85 2HG1 VAL 85 4.324 -7.444 7.378 626 HG13 VAL 85 3HG1 VAL 85 3.271 -8.434 8.390 627 HG21 VAL 85 3HG2 VAL 85 5.626 -10.604 7.893 628 HG22 VAL 85 1HG2 VAL 85 3.994 -11.272 7.937 629 HG23 VAL 85 2HG2 VAL 85 4.983 -11.456 6.488 630 H ILE 86 H ILE 86 0.795 -8.113 6.490 631 HA ILE 86 HA ILE 86 1.366 -6.658 4.001 632 HB ILE 86 HB ILE 86 -1.198 -6.613 5.590 633 HG12 ILE 86 1HG1 ILE 86 -0.923 -8.075 2.998 634 HG13 ILE 86 2HG1 ILE 86 -0.357 -8.856 4.470 635 HG21 ILE 86 1HG2 ILE 86 -1.489 -4.806 4.285 636 HG22 ILE 86 2HG2 ILE 86 -0.230 -5.294 3.152 637 HG23 ILE 86 3HG2 ILE 86 -1.843 -5.997 3.034 638 HD11 ILE 86 3HD1 ILE 86 -2.522 -9.622 4.271 639 HD12 ILE 86 1HD1 ILE 86 -2.692 -8.275 5.396 640 HD13 ILE 86 2HD1 ILE 86 -3.129 -8.068 3.700 641 H SER 87 H SER 87 2.161 -4.672 4.120 642 HA SER 87 HA SER 87 1.759 -3.143 6.608 643 HB2 SER 87 1HB SER 87 3.967 -2.278 6.470 644 HB3 SER 87 2HB SER 87 4.123 -4.009 6.172 645 HG SER 87 HG SER 87 4.921 -2.038 4.624 646 H LEU 88 H LEU 88 0.178 -1.750 6.061 647 HA LEU 88 HA LEU 88 0.349 -0.334 3.502 648 HB2 LEU 88 1HB LEU 88 -1.794 -1.225 3.821 649 HB3 LEU 88 2HB LEU 88 -1.841 -0.731 5.512 650 HG LEU 88 HG LEU 88 -1.828 1.679 4.552 651 HD11 LEU 88 1HD1 LEU 88 -3.091 0.337 2.192 652 HD12 LEU 88 2HD1 LEU 88 -1.369 0.714 2.211 653 HD13 LEU 88 3HD1 LEU 88 -2.556 2.008 2.371 654 HD21 LEU 88 3HD2 LEU 88 -3.725 0.251 5.635 655 HD22 LEU 88 1HD2 LEU 88 -4.360 0.201 3.990 656 HD23 LEU 88 2HD2 LEU 88 -4.117 1.752 4.794 657 H LYS 89 H LYS 89 0.846 1.770 3.357 658 HA LYS 89 HA LYS 89 0.735 3.458 5.737 659 HB2 LYS 89 1HB LYS 89 2.981 4.135 5.665 660 HB3 LYS 89 2HB LYS 89 3.050 2.389 5.472 661 HG2 LYS 89 1HG LYS 89 3.523 2.556 3.174 662 HG3 LYS 89 2HG LYS 89 3.068 4.260 3.125 663 HD2 LYS 89 1HD LYS 89 5.336 4.490 3.189 664 HD3 LYS 89 2HD LYS 89 5.012 4.441 4.923 665 HE2 LYS 89 1HE LYS 89 5.490 2.031 4.926 666 HE3 LYS 89 2HE LYS 89 5.842 2.106 3.201 667 HZ1 LYS 89 3HZ LYS 89 7.773 2.224 4.872 668 HZ2 LYS 89 1HZ LYS 89 7.299 3.833 5.092 669 HZ3 LYS 89 2HZ LYS 89 7.773 3.293 3.561 670 H ALA 90 H ALA 90 0.644 5.691 5.294 671 HA ALA 90 HA ALA 90 -0.387 6.299 2.646 672 HB1 ALA 90 3HB ALA 90 -0.259 7.967 5.154 673 HB2 ALA 90 1HB ALA 90 -1.024 8.462 3.644 674 HB3 ALA 90 2HB ALA 90 -1.659 7.084 4.545 675 H PHE 91 H PHE 91 0.388 7.985 1.328 676 HA PHE 91 HA PHE 91 3.027 9.071 1.990 677 HB2 PHE 91 1HB PHE 91 3.998 8.439 -0.086 678 HB3 PHE 91 2HB PHE 91 3.236 6.987 0.556 679 HD1 PHE 91 1HD PHE 91 2.732 9.778 -1.832 680 HD2 PHE 91 2HD PHE 91 1.657 5.819 -0.698 681 HE1 PHE 91 1HE PHE 91 1.465 9.526 -3.926 682 HE2 PHE 91 2HE PHE 91 0.389 5.560 -2.790 683 HZ PHE 91 HZ PHE 91 0.292 7.415 -4.408 684 H ASN 92 H ASN 92 3.671 10.830 0.451 685 HA ASN 92 HA ASN 92 1.750 12.080 -1.210 686 HB2 ASN 92 1HB ASN 92 1.070 13.940 0.103 687 HB3 ASN 92 2HB ASN 92 0.806 12.519 1.110 688 HD21 ASN 92 1HD2 ASN 92 0.850 14.690 2.490 689 HD22 ASN 92 2HD2 ASN 92 2.351 14.950 3.305 690 H ASN 93 H ASN 93 2.483 14.626 -1.318 691 HA ASN 93 HA ASN 93 4.897 14.668 -2.637 692 HB2 ASN 93 1HB ASN 93 3.185 16.767 -1.390 693 HB3 ASN 93 2HB ASN 93 4.806 17.226 -1.903 694 HD21 ASN 93 1HD2 ASN 93 2.603 14.888 -3.360 695 HD22 ASN 93 2HD2 ASN 93 2.452 15.706 -4.874 696 H ALA 94 H ALA 94 4.291 14.833 0.772 697 HA ALA 94 HA ALA 94 6.904 15.825 1.465 698 HB1 ALA 94 3HB ALA 94 4.882 14.505 3.268 699 HB2 ALA 94 1HB ALA 94 6.233 15.535 3.745 700 HB3 ALA 94 2HB ALA 94 4.873 16.219 2.853 701 H GLY 95 H GLY 95 5.403 12.717 0.997 702 HA2 GLY 95 1HA GLY 95 7.233 11.030 0.410 703 HA3 GLY 95 2HA GLY 95 7.827 11.388 2.025 704 H GLU 96 H GLU 96 7.402 9.751 3.339 705 HA GLU 96 HA GLU 96 4.754 8.471 3.153 706 HB2 GLU 96 1HB GLU 96 7.253 7.114 4.153 707 HB3 GLU 96 2HB GLU 96 5.711 6.373 3.748 708 HG2 GLU 96 1HG GLU 96 6.055 6.690 1.435 709 HG3 GLU 96 2HG GLU 96 7.423 7.766 1.714 710 H GLY 97 H GLY 97 3.742 7.857 5.096 711 HA2 GLY 97 1HA GLY 97 4.818 9.242 7.473 712 HA3 GLY 97 2HA GLY 97 3.104 9.067 7.129 713 H VAL 98 H VAL 98 3.650 8.323 9.539 714 HA VAL 98 HA VAL 98 4.750 6.022 10.336 715 HB VAL 98 HB VAL 98 3.513 7.247 11.940 716 HG11 VAL 98 1HG1 VAL 98 1.741 8.332 11.064 717 HG12 VAL 98 2HG1 VAL 98 1.342 7.013 9.962 718 HG13 VAL 98 3HG1 VAL 98 0.850 6.930 11.654 719 HG21 VAL 98 3HG2 VAL 98 2.065 5.521 12.970 720 HG22 VAL 98 1HG2 VAL 98 2.182 4.580 11.484 721 HG23 VAL 98 2HG2 VAL 98 3.626 4.891 12.447 722 HA PRO 99 HA PRO 99 2.926 3.131 7.385 723 HB2 PRO 99 1HB PRO 99 4.738 1.167 7.862 724 HB3 PRO 99 2HB PRO 99 5.068 2.541 6.800 725 HG2 PRO 99 1HG PRO 99 5.871 2.118 9.652 726 HG3 PRO 99 2HG PRO 99 6.826 2.762 8.305 727 HD2 PRO 99 1HD PRO 99 5.675 4.355 10.167 728 HD3 PRO 99 2HD PRO 99 5.889 4.861 8.479 729 H LEU 100 H LEU 100 1.531 1.449 7.667 730 HA LEU 100 HA LEU 100 1.170 0.487 10.425 731 HB2 LEU 100 1HB LEU 100 -0.653 1.786 9.043 732 HB3 LEU 100 2HB LEU 100 -0.935 0.196 8.335 733 HG LEU 100 HG LEU 100 -1.198 -0.599 10.776 734 HD11 LEU 100 1HD1 LEU 100 -2.120 1.217 12.238 735 HD12 LEU 100 2HD1 LEU 100 -1.464 2.382 11.088 736 HD13 LEU 100 3HD1 LEU 100 -0.380 1.294 11.955 737 HD21 LEU 100 3HD2 LEU 100 -3.468 1.160 10.205 738 HD22 LEU 100 1HD2 LEU 100 -3.403 -0.594 10.379 739 HD23 LEU 100 2HD2 LEU 100 -2.964 0.156 8.845 740 H TYR 101 H TYR 101 1.602 -1.572 10.836 741 HA TYR 101 HA TYR 101 2.018 -3.400 8.588 742 HB2 TYR 101 1HB TYR 101 2.952 -3.355 11.440 743 HB3 TYR 101 2HB TYR 101 2.971 -4.860 10.527 744 HD1 TYR 101 1HD TYR 101 4.195 -1.347 10.423 745 HD2 TYR 101 2HD TYR 101 4.765 -5.356 9.118 746 HE1 TYR 101 1HE TYR 101 6.355 -0.711 9.434 747 HE2 TYR 101 2HE TYR 101 6.928 -4.731 8.126 748 HH TYR 101 HH TYR 101 8.412 -1.680 8.724 749 H GLU 102 H GLU 102 1.324 -5.675 8.872 750 HA GLU 102 HA GLU 102 -0.789 -6.275 10.708 751 HB2 GLU 102 1HB GLU 102 -1.725 -4.840 8.678 752 HB3 GLU 102 2HB GLU 102 -1.704 -6.403 7.874 753 HG2 GLU 102 1HG GLU 102 -3.865 -5.707 8.999 754 HG3 GLU 102 2HG GLU 102 -3.255 -7.321 9.359 755 H SER 103 H SER 103 -1.849 -8.447 10.042 756 HA SER 103 HA SER 103 0.101 -10.153 8.657 757 HB2 SER 103 1HB SER 103 -0.166 -11.875 10.411 758 HB3 SER 103 2HB SER 103 0.526 -10.387 11.056 759 HG SER 103 HG SER 103 -2.255 -10.762 11.126 760 H ALA 104 H ALA 104 -0.745 -11.918 7.576 761 HA ALA 104 HA ALA 104 -3.522 -12.634 7.812 762 HB1 ALA 104 3HB ALA 104 -2.735 -11.636 5.104 763 HB2 ALA 104 1HB ALA 104 -4.345 -11.878 5.785 764 HB3 ALA 104 2HB ALA 104 -3.354 -10.521 6.323 765 H THR 105 H THR 105 -3.403 -14.773 7.758 766 HA THR 105 HA THR 105 -1.377 -16.068 6.086 767 HB THR 105 HB THR 105 -3.166 -17.368 8.145 768 HG1 THR 105 1HG THR 105 -1.040 -15.723 8.477 769 HG21 THR 105 3HG2 THR 105 -0.702 -18.238 6.653 770 HG22 THR 105 1HG2 THR 105 -2.278 -19.025 6.716 771 HG23 THR 105 2HG2 THR 105 -1.233 -19.028 8.137 772 H THR 106 H THR 106 -2.052 -16.456 4.074 773 HA THR 106 HA THR 106 -4.577 -16.553 3.059 774 HB THR 106 HB THR 106 -3.606 -18.212 1.329 775 HG1 THR 106 1HG THR 106 -1.738 -19.027 1.871 776 HG21 THR 106 3HG2 THR 106 -3.770 -15.810 0.938 777 HG22 THR 106 1HG2 THR 106 -2.252 -16.436 0.296 778 HG23 THR 106 2HG2 THR 106 -2.266 -15.549 1.820 779 H ARG 107 H ARG 107 -5.736 -18.499 2.128 780 HA ARG 107 HA ARG 107 -6.194 -20.387 4.292 781 HB2 ARG 107 1HB ARG 107 -7.694 -20.309 1.685 782 HB3 ARG 107 2HB ARG 107 -8.244 -20.899 3.247 783 HG2 ARG 107 1HG ARG 107 -7.675 -18.013 2.605 784 HG3 ARG 107 2HG ARG 107 -9.275 -18.758 2.593 785 HD2 ARG 107 1HD ARG 107 -7.502 -18.851 5.015 786 HD3 ARG 107 2HD ARG 107 -8.563 -17.480 4.696 787 HE ARG 107 HE ARG 107 -9.329 -19.982 5.757 788 HH11 ARG 107 1HH1 ARG 107 -10.396 -17.521 3.537 789 HH12 ARG 107 2HH1 ARG 107 -12.079 -17.869 3.757 790 HH21 ARG 107 1HH2 ARG 107 -11.541 -20.449 6.055 791 HH22 ARG 107 2HH2 ARG 107 -12.730 -19.534 5.190 792 H SER 108 H SER 108 -6.918 -22.678 3.331 793 HA SER 108 HA SER 108 -4.547 -23.666 1.912 794 HB2 SER 108 1HB SER 108 -5.473 -24.553 4.233 795 HB3 SER 108 2HB SER 108 -6.522 -25.511 3.188 796 HG SER 108 HG SER 108 -4.820 -26.589 2.431 797 H ILE 109 H ILE 109 -4.878 -25.496 0.402 798 HA ILE 109 HA ILE 109 -7.322 -25.074 -1.188 799 HB ILE 109 HB ILE 109 -4.565 -25.939 -2.056 800 HG12 ILE 109 1HG1 ILE 109 -6.199 -23.453 -2.301 801 HG13 ILE 109 2HG1 ILE 109 -4.475 -23.635 -1.993 802 HG21 ILE 109 1HG2 ILE 109 -5.445 -26.128 -4.309 803 HG22 ILE 109 2HG2 ILE 109 -6.289 -27.235 -3.228 804 HG23 ILE 109 3HG2 ILE 109 -7.063 -25.732 -3.731 805 HD11 ILE 109 3HD1 ILE 109 -4.930 -22.649 -4.180 806 HD12 ILE 109 1HD1 ILE 109 -4.097 -24.197 -4.317 807 HD13 ILE 109 2HD1 ILE 109 -5.828 -24.095 -4.640 808 H THR 110 H THR 110 -8.690 -26.714 -1.423 809 HA THR 110 HA THR 110 -7.789 -29.457 -1.426 810 HB THR 110 HB THR 110 -8.025 -28.974 1.000 811 HG1 THR 110 1HG THR 110 -8.421 -31.090 0.261 812 HG21 THR 110 3HG2 THR 110 -10.749 -29.010 1.435 813 HG22 THR 110 1HG2 THR 110 -10.571 -27.888 0.086 814 HG23 THR 110 2HG2 THR 110 -9.697 -27.604 1.591 815 H SER 111 H SER 111 -9.516 -30.968 -1.961 816 HA SER 111 HA SER 111 -11.610 -29.648 -3.541 817 HB2 SER 111 1HB SER 111 -10.088 -31.138 -4.783 818 HB3 SER 111 2HB SER 111 -10.547 -32.478 -3.732 819 HG SER 111 HG SER 111 -12.546 -31.057 -5.092 820 H GLY 112 H GLY 112 -13.028 -29.301 -1.771 821 HA2 GLY 112 1HA GLY 112 -14.606 -29.875 -0.180 822 HA3 GLY 112 2HA GLY 112 -15.111 -30.996 -1.435 823 HA PRO 113 HA PRO 113 -14.147 -33.542 2.271 824 HB2 PRO 113 1HB PRO 113 -16.193 -35.281 1.872 825 HB3 PRO 113 2HB PRO 113 -16.389 -33.749 2.729 826 HG2 PRO 113 1HG PRO 113 -17.042 -34.426 -0.113 827 HG3 PRO 113 2HG PRO 113 -17.985 -33.485 1.058 828 HD2 PRO 113 1HD PRO 113 -16.481 -32.323 -0.871 829 HD3 PRO 113 2HD PRO 113 -16.737 -31.577 0.720 830 H SER 114 H SER 114 -13.188 -35.569 2.372 831 HA SER 114 HA SER 114 -11.674 -36.491 0.323 832 HB2 SER 114 1HB SER 114 -12.943 -38.206 2.472 833 HB3 SER 114 2HB SER 114 -11.540 -38.654 1.502 834 HG SER 114 HG SER 114 -11.459 -36.235 2.896 835 H SER 115 H SER 115 -12.162 -37.158 -1.650 836 HA SER 115 HA SER 115 -14.578 -38.804 -2.023 837 HB2 SER 115 1HB SER 115 -14.827 -37.801 -4.257 838 HB3 SER 115 2HB SER 115 -14.889 -36.569 -2.997 839 HG SER 115 HG SER 115 -12.441 -36.551 -3.518 840 H GLY 116 H GLY 116 -13.736 -40.817 -2.140 841 HA2 GLY 116 1HA GLY 116 -12.770 -42.619 -3.212 842 HA3 GLY 116 2HA GLY 116 -12.258 -41.529 -4.491 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.086 4.041 -4.100 2 HA2 GLY 1 1HA GLY 1 -15.264 6.143 -4.764 3 HA3 GLY 1 2HA GLY 1 -13.989 6.433 -3.589 4 H SER 2 H SER 2 -14.431 6.147 -7.113 5 HA SER 2 HA SER 2 -12.119 7.597 -7.799 6 HB2 SER 2 1HB SER 2 -13.216 6.169 -9.427 7 HB3 SER 2 2HB SER 2 -14.679 7.151 -9.353 8 HG SER 2 HG SER 2 -12.702 7.466 -10.998 9 H SER 3 H SER 3 -11.678 9.691 -7.685 10 HA SER 3 HA SER 3 -13.885 11.562 -7.186 11 HB2 SER 3 1HB SER 3 -12.336 12.976 -6.083 12 HB3 SER 3 2HB SER 3 -11.918 11.345 -5.559 13 HG SER 3 HG SER 3 -10.407 11.493 -7.491 14 H GLY 4 H GLY 4 -11.772 10.563 -9.605 15 HA2 GLY 4 1HA GLY 4 -12.017 11.386 -11.837 16 HA3 GLY 4 2HA GLY 4 -12.417 12.964 -11.174 17 H SER 5 H SER 5 -10.878 14.014 -12.449 18 HA SER 5 HA SER 5 -8.069 13.361 -11.869 19 HB2 SER 5 1HB SER 5 -9.373 14.793 -14.182 20 HB3 SER 5 2HB SER 5 -7.635 14.862 -13.895 21 HG SER 5 HG SER 5 -9.227 12.591 -14.462 22 H SER 6 H SER 6 -9.386 14.661 -9.860 23 HA SER 6 HA SER 6 -8.111 17.305 -9.936 24 HB2 SER 6 1HB SER 6 -10.574 17.535 -10.330 25 HB3 SER 6 2HB SER 6 -10.851 16.801 -8.751 26 HG SER 6 HG SER 6 -10.830 19.151 -8.789 27 H GLY 7 H GLY 7 -7.356 18.078 -7.943 28 HA2 GLY 7 1HA GLY 7 -6.983 15.960 -5.945 29 HA3 GLY 7 2HA GLY 7 -5.992 17.402 -6.114 30 HA PRO 8 HA PRO 8 -9.819 17.909 -3.172 31 HB2 PRO 8 1HB PRO 8 -9.116 16.534 -0.939 32 HB3 PRO 8 2HB PRO 8 -10.086 15.828 -2.237 33 HG2 PRO 8 1HG PRO 8 -7.154 15.551 -1.697 34 HG3 PRO 8 2HG PRO 8 -8.327 14.308 -2.172 35 HD2 PRO 8 1HD PRO 8 -6.626 15.456 -3.938 36 HD3 PRO 8 2HD PRO 8 -8.251 14.907 -4.396 37 H GLU 9 H GLU 9 -6.537 18.373 -3.280 38 HA GLU 9 HA GLU 9 -5.641 19.367 -0.932 39 HB2 GLU 9 1HB GLU 9 -5.227 20.195 -3.759 40 HB3 GLU 9 2HB GLU 9 -4.639 21.279 -2.505 41 HG2 GLU 9 1HG GLU 9 -2.785 20.009 -2.806 42 HG3 GLU 9 2HG GLU 9 -3.587 19.059 -1.557 43 H ASN 10 H ASN 10 -7.242 20.230 0.378 44 HA ASN 10 HA ASN 10 -7.944 23.003 -0.232 45 HB2 ASN 10 1HB ASN 10 -9.890 21.704 -0.937 46 HB3 ASN 10 2HB ASN 10 -9.948 20.906 0.632 47 HD21 ASN 10 1HD2 ASN 10 -11.854 21.596 1.388 48 HD22 ASN 10 2HD2 ASN 10 -12.269 23.253 1.646 49 H ASP 11 H ASP 11 -7.053 24.105 1.379 50 HA ASP 11 HA ASP 11 -6.209 24.607 3.452 51 HB2 ASP 11 1HB ASP 11 -9.052 23.761 3.963 52 HB3 ASP 11 2HB ASP 11 -8.028 24.365 5.263 53 H LEU 12 H LEU 12 -5.064 22.314 2.793 54 HA LEU 12 HA LEU 12 -5.327 20.606 5.180 55 HB2 LEU 12 1HB LEU 12 -4.190 19.759 2.528 56 HB3 LEU 12 2HB LEU 12 -4.620 18.736 3.897 57 HG LEU 12 HG LEU 12 -6.567 20.237 2.146 58 HD11 LEU 12 1HD1 LEU 12 -5.268 17.678 1.860 59 HD12 LEU 12 2HD1 LEU 12 -6.327 18.536 0.741 60 HD13 LEU 12 3HD1 LEU 12 -7.018 17.496 1.987 61 HD21 LEU 12 3HD2 LEU 12 -7.323 19.970 4.473 62 HD22 LEU 12 1HD2 LEU 12 -7.062 18.231 4.343 63 HD23 LEU 12 2HD2 LEU 12 -8.284 19.015 3.343 64 H ASP 13 H ASP 13 -3.088 19.197 5.202 65 HA ASP 13 HA ASP 13 -0.893 21.160 5.133 66 HB2 ASP 13 1HB ASP 13 -1.761 20.729 7.453 67 HB3 ASP 13 2HB ASP 13 -1.263 19.050 7.265 68 H GLU 14 H GLU 14 -0.034 20.369 3.224 69 HA GLU 14 HA GLU 14 0.506 17.563 2.880 70 HB2 GLU 14 1HB GLU 14 0.043 19.440 1.086 71 HB3 GLU 14 2HB GLU 14 1.784 19.667 1.185 72 HG2 GLU 14 1HG GLU 14 2.242 17.581 0.313 73 HG3 GLU 14 2HG GLU 14 0.663 16.936 0.755 74 H SER 15 H SER 15 2.332 20.442 3.749 75 HA SER 15 HA SER 15 4.920 19.733 3.513 76 HB2 SER 15 1HB SER 15 3.783 21.770 4.737 77 HB3 SER 15 2HB SER 15 4.079 20.802 6.181 78 HG SER 15 HG SER 15 5.842 22.149 5.790 79 H GLN 16 H GLN 16 2.590 18.224 5.575 80 HA GLN 16 HA GLN 16 4.705 16.548 6.754 81 HB2 GLN 16 1HB GLN 16 3.338 16.192 8.649 82 HB3 GLN 16 2HB GLN 16 3.231 17.914 8.308 83 HG2 GLN 16 1HG GLN 16 1.056 17.762 7.540 84 HG3 GLN 16 2HG GLN 16 1.186 16.035 7.212 85 HE21 GLN 16 1HE2 GLN 16 0.437 18.449 9.525 86 HE22 GLN 16 2HE2 GLN 16 -0.032 17.393 10.808 87 H VAL 17 H VAL 17 4.474 14.313 6.755 88 HA VAL 17 HA VAL 17 3.082 13.215 4.530 89 HB VAL 17 HB VAL 17 3.883 11.034 5.342 90 HG11 VAL 17 1HG1 VAL 17 6.388 11.752 5.475 91 HG12 VAL 17 2HG1 VAL 17 5.469 12.023 3.993 92 HG13 VAL 17 3HG1 VAL 17 5.747 13.355 5.116 93 HG21 VAL 17 3HG2 VAL 17 5.557 11.337 7.373 94 HG22 VAL 17 1HG2 VAL 17 4.426 12.625 7.790 95 HG23 VAL 17 2HG2 VAL 17 3.851 10.966 7.623 96 HA PRO 18 HA PRO 18 -0.807 12.147 6.272 97 HB2 PRO 18 1HB PRO 18 -1.381 9.892 4.874 98 HB3 PRO 18 2HB PRO 18 -1.433 11.507 4.156 99 HG2 PRO 18 1HG PRO 18 0.722 9.435 4.003 100 HG3 PRO 18 2HG PRO 18 0.075 10.473 2.720 101 HD2 PRO 18 1HD PRO 18 2.404 11.009 3.993 102 HD3 PRO 18 2HD PRO 18 1.335 12.287 3.380 103 H ASP 19 H ASP 19 -1.214 11.301 8.206 104 HA ASP 19 HA ASP 19 0.406 9.394 9.475 105 HB2 ASP 19 1HB ASP 19 -2.246 10.635 10.064 106 HB3 ASP 19 2HB ASP 19 -1.750 9.229 11.002 107 H GLN 20 H GLN 20 -0.490 7.318 10.436 108 HA GLN 20 HA GLN 20 -1.158 5.558 8.320 109 HB2 GLN 20 1HB GLN 20 -0.998 3.821 9.897 110 HB3 GLN 20 2HB GLN 20 0.148 5.033 10.454 111 HG2 GLN 20 1HG GLN 20 -1.818 5.859 11.921 112 HG3 GLN 20 2HG GLN 20 -2.494 4.261 11.608 113 HE21 GLN 20 1HE2 GLN 20 0.426 3.342 11.417 114 HE22 GLN 20 2HE2 GLN 20 0.876 3.100 13.067 115 HA PRO 21 HA PRO 21 -5.544 5.527 8.307 116 HB2 PRO 21 1HB PRO 21 -6.074 2.912 7.809 117 HB3 PRO 21 2HB PRO 21 -5.418 4.008 6.588 118 HG2 PRO 21 1HG PRO 21 -3.994 2.001 8.291 119 HG3 PRO 21 2HG PRO 21 -3.784 2.354 6.566 120 HD2 PRO 21 1HD PRO 21 -2.103 3.306 8.463 121 HD3 PRO 21 2HD PRO 21 -2.471 4.203 6.976 122 H SER 22 H SER 22 -6.868 5.718 9.991 123 HA SER 22 HA SER 22 -6.616 5.011 12.532 124 HB2 SER 22 1HB SER 22 -8.905 5.309 12.837 125 HB3 SER 22 2HB SER 22 -8.638 6.116 11.292 126 HG SER 22 HG SER 22 -10.445 4.667 11.284 127 H SER 23 H SER 23 -7.708 2.802 10.008 128 HA SER 23 HA SER 23 -6.883 0.538 11.601 129 HB2 SER 23 1HB SER 23 -9.773 0.780 10.729 130 HB3 SER 23 2HB SER 23 -9.041 -0.616 11.520 131 HG SER 23 HG SER 23 -10.109 1.532 12.649 132 H LEU 24 H LEU 24 -6.612 -1.362 10.385 133 HA LEU 24 HA LEU 24 -7.061 -1.124 7.492 134 HB2 LEU 24 1HB LEU 24 -4.812 -0.598 7.567 135 HB3 LEU 24 2HB LEU 24 -4.503 -1.668 8.933 136 HG LEU 24 HG LEU 24 -4.781 -3.608 7.395 137 HD11 LEU 24 1HD1 LEU 24 -4.933 -3.348 5.073 138 HD12 LEU 24 2HD1 LEU 24 -4.578 -1.623 5.153 139 HD13 LEU 24 3HD1 LEU 24 -6.131 -2.230 5.727 140 HD21 LEU 24 3HD2 LEU 24 -2.628 -2.944 6.029 141 HD22 LEU 24 1HD2 LEU 24 -2.563 -3.203 7.772 142 HD23 LEU 24 2HD2 LEU 24 -2.636 -1.563 7.127 143 H HIS 25 H HIS 25 -8.619 -2.638 7.279 144 HA HIS 25 HA HIS 25 -8.463 -5.166 8.671 145 HB2 HIS 25 1HB HIS 25 -10.674 -4.541 8.484 146 HB3 HIS 25 2HB HIS 25 -10.448 -3.823 6.892 147 HD1 HIS 25 1HD HIS 25 -12.253 -6.419 8.277 148 HD2 HIS 25 2HD HIS 25 -9.645 -6.240 5.047 149 HE1 HIS 25 1HE HIS 25 -12.828 -8.400 6.837 150 HE2 HIS 25 2HE HIS 25 -11.181 -8.318 4.933 151 H VAL 26 H VAL 26 -7.927 -7.124 7.832 152 HA VAL 26 HA VAL 26 -7.352 -7.340 4.972 153 HB VAL 26 HB VAL 26 -5.176 -8.390 5.373 154 HG11 VAL 26 1HG1 VAL 26 -4.827 -5.846 6.821 155 HG12 VAL 26 2HG1 VAL 26 -4.071 -6.423 5.334 156 HG13 VAL 26 3HG1 VAL 26 -5.700 -5.749 5.292 157 HG21 VAL 26 3HG2 VAL 26 -4.119 -8.176 7.608 158 HG22 VAL 26 1HG2 VAL 26 -5.671 -7.636 8.251 159 HG23 VAL 26 2HG2 VAL 26 -5.506 -9.265 7.594 160 H ARG 27 H ARG 27 -8.000 -9.231 4.152 161 HA ARG 27 HA ARG 27 -8.495 -11.458 6.017 162 HB2 ARG 27 1HB ARG 27 -10.249 -10.235 3.954 163 HB3 ARG 27 2HB ARG 27 -10.295 -11.986 4.104 164 HG2 ARG 27 1HG ARG 27 -10.551 -11.386 6.672 165 HG3 ARG 27 2HG ARG 27 -11.199 -9.891 5.993 166 HD2 ARG 27 1HD ARG 27 -12.811 -11.169 4.688 167 HD3 ARG 27 2HD ARG 27 -12.143 -12.675 5.316 168 HE ARG 27 HE ARG 27 -12.930 -11.058 7.470 169 HH11 ARG 27 1HH1 ARG 27 -14.313 -12.890 4.852 170 HH12 ARG 27 2HH1 ARG 27 -15.791 -13.223 5.693 171 HH21 ARG 27 1HH2 ARG 27 -14.872 -11.490 8.587 172 HH22 ARG 27 2HH2 ARG 27 -16.108 -12.425 7.817 173 HA PRO 28 HA PRO 28 -5.557 -13.267 3.117 174 HB2 PRO 28 1HB PRO 28 -5.029 -15.434 4.665 175 HB3 PRO 28 2HB PRO 28 -4.290 -13.852 4.942 176 HG2 PRO 28 1HG PRO 28 -6.625 -15.120 6.322 177 HG3 PRO 28 2HG PRO 28 -5.272 -14.210 7.020 178 HD2 PRO 28 1HD PRO 28 -7.708 -13.105 6.602 179 HD3 PRO 28 2HD PRO 28 -6.204 -12.171 6.486 180 H GLN 29 H GLN 29 -6.697 -14.013 1.399 181 HA GLN 29 HA GLN 29 -8.663 -16.127 1.749 182 HB2 GLN 29 1HB GLN 29 -7.816 -14.939 -0.881 183 HB3 GLN 29 2HB GLN 29 -9.349 -15.693 -0.463 184 HG2 GLN 29 1HG GLN 29 -8.385 -13.093 0.701 185 HG3 GLN 29 2HG GLN 29 -9.431 -13.218 -0.713 186 HE21 GLN 29 1HE2 GLN 29 -10.967 -11.986 0.496 187 HE22 GLN 29 2HE2 GLN 29 -11.974 -12.760 1.667 188 H THR 30 H THR 30 -8.562 -17.740 -0.290 189 HA THR 30 HA THR 30 -6.589 -19.590 0.245 190 HB THR 30 HB THR 30 -7.636 -19.455 -2.547 191 HG1 THR 30 1HG THR 30 -9.219 -19.995 -0.236 192 HG21 THR 30 3HG2 THR 30 -8.140 -21.915 -1.805 193 HG22 THR 30 1HG2 THR 30 -6.998 -21.549 -0.513 194 HG23 THR 30 2HG2 THR 30 -6.491 -21.430 -2.197 195 H ASN 31 H ASN 31 -6.720 -17.670 -2.763 196 HA ASN 31 HA ASN 31 -3.773 -17.704 -2.789 197 HB2 ASN 31 1HB ASN 31 -5.708 -17.810 -5.110 198 HB3 ASN 31 2HB ASN 31 -3.974 -17.564 -5.288 199 HD21 ASN 31 1HD2 ASN 31 -2.846 -19.281 -3.614 200 HD22 ASN 31 2HD2 ASN 31 -3.277 -20.910 -3.993 201 H CYS 32 H CYS 32 -6.239 -15.760 -2.118 202 HA CYS 32 HA CYS 32 -4.841 -13.386 -3.143 203 HB2 CYS 32 1HB CYS 32 -7.334 -12.425 -3.087 204 HB3 CYS 32 2HB CYS 32 -6.657 -13.197 -4.516 205 HG CYS 32 HG CYS 32 -8.267 -15.221 -4.622 206 H ILE 33 H ILE 33 -5.722 -11.359 -1.944 207 HA ILE 33 HA ILE 33 -6.567 -11.832 0.778 208 HB ILE 33 HB ILE 33 -3.871 -10.558 0.313 209 HG12 ILE 33 1HG1 ILE 33 -4.574 -13.306 1.366 210 HG13 ILE 33 2HG1 ILE 33 -3.717 -12.944 -0.129 211 HG21 ILE 33 1HG2 ILE 33 -4.594 -11.494 2.986 212 HG22 ILE 33 2HG2 ILE 33 -3.867 -9.972 2.474 213 HG23 ILE 33 3HG2 ILE 33 -5.615 -10.190 2.382 214 HD11 ILE 33 3HD1 ILE 33 -2.389 -13.699 1.946 215 HD12 ILE 33 1HD1 ILE 33 -1.778 -12.361 0.975 216 HD13 ILE 33 2HD1 ILE 33 -2.617 -12.038 2.493 217 H ILE 34 H ILE 34 -8.192 -10.399 0.756 218 HA ILE 34 HA ILE 34 -7.876 -7.803 -0.502 219 HB ILE 34 HB ILE 34 -10.219 -9.079 0.909 220 HG12 ILE 34 1HG1 ILE 34 -11.195 -9.043 -1.386 221 HG13 ILE 34 2HG1 ILE 34 -9.656 -8.446 -1.996 222 HG21 ILE 34 1HG2 ILE 34 -11.110 -6.887 -0.576 223 HG22 ILE 34 2HG2 ILE 34 -11.066 -7.043 1.179 224 HG23 ILE 34 3HG2 ILE 34 -9.709 -6.308 0.326 225 HD11 ILE 34 3HD1 ILE 34 -9.664 -10.962 -0.423 226 HD12 ILE 34 1HD1 ILE 34 -10.277 -10.996 -2.076 227 HD13 ILE 34 2HD1 ILE 34 -8.626 -10.462 -1.758 228 H MET 35 H MET 35 -7.721 -5.866 0.524 229 HA MET 35 HA MET 35 -7.806 -5.841 3.458 230 HB2 MET 35 1HB MET 35 -5.806 -4.143 3.167 231 HB3 MET 35 2HB MET 35 -5.518 -5.874 3.275 232 HG2 MET 35 1HG MET 35 -5.299 -6.038 0.887 233 HG3 MET 35 2HG MET 35 -5.743 -4.344 0.696 234 HE1 MET 35 3HE MET 35 -4.070 -2.304 1.116 235 HE2 MET 35 1HE MET 35 -4.328 -2.776 2.796 236 HE3 MET 35 2HE MET 35 -2.693 -2.472 2.207 237 H SER 36 H SER 36 -8.786 -4.100 4.323 238 HA SER 36 HA SER 36 -9.366 -1.820 2.554 239 HB2 SER 36 1HB SER 36 -11.443 -2.902 2.590 240 HB3 SER 36 2HB SER 36 -11.259 -3.403 4.271 241 HG SER 36 HG SER 36 -12.218 -1.631 4.827 242 H TRP 37 H TRP 37 -8.457 -0.060 3.362 243 HA TRP 37 HA TRP 37 -8.240 0.202 6.288 244 HB2 TRP 37 1HB TRP 37 -6.351 1.745 5.842 245 HB3 TRP 37 2HB TRP 37 -6.063 0.125 5.213 246 HD1 TRP 37 HD TRP 37 -6.292 3.724 4.149 247 HE1 TRP 37 1HE TRP 37 -5.839 3.907 1.622 248 HE3 TRP 37 3HE TRP 37 -6.448 -1.240 2.934 249 HZ2 TRP 37 2HZ TRP 37 -5.582 2.176 -0.593 250 HZ3 TRP 37 3HZ TRP 37 -6.089 -1.892 0.589 251 HH2 TRP 37 HH TRP 37 -5.666 -0.218 -1.137 252 H THR 38 H THR 38 -7.896 2.729 6.780 253 HA THR 38 HA THR 38 -10.032 4.202 5.388 254 HB THR 38 HB THR 38 -10.257 5.241 7.865 255 HG1 THR 38 1HG THR 38 -8.720 3.369 8.447 256 HG21 THR 38 3HG2 THR 38 -12.275 4.644 7.019 257 HG22 THR 38 1HG2 THR 38 -12.066 3.263 8.094 258 HG23 THR 38 2HG2 THR 38 -11.675 3.113 6.381 259 HA PRO 39 HA PRO 39 -7.342 7.664 5.208 260 HB2 PRO 39 1HB PRO 39 -8.994 9.750 5.746 261 HB3 PRO 39 2HB PRO 39 -9.056 8.842 4.231 262 HG2 PRO 39 1HG PRO 39 -10.787 8.593 6.660 263 HG3 PRO 39 2HG PRO 39 -11.252 8.581 4.949 264 HD2 PRO 39 1HD PRO 39 -11.020 6.314 6.411 265 HD3 PRO 39 2HD PRO 39 -10.660 6.371 4.673 266 HA PRO 40 HA PRO 40 -5.814 8.949 9.126 267 HB2 PRO 40 1HB PRO 40 -5.028 11.507 8.671 268 HB3 PRO 40 2HB PRO 40 -4.170 10.108 8.017 269 HG2 PRO 40 1HG PRO 40 -6.155 11.907 6.681 270 HG3 PRO 40 2HG PRO 40 -4.631 11.257 6.049 271 HD2 PRO 40 1HD PRO 40 -7.041 10.194 5.419 272 HD3 PRO 40 2HD PRO 40 -5.567 9.212 5.543 273 H LEU 41 H LEU 41 -6.777 9.517 10.971 274 HA LEU 41 HA LEU 41 -9.279 10.532 11.265 275 HB2 LEU 41 1HB LEU 41 -6.898 10.782 13.082 276 HB3 LEU 41 2HB LEU 41 -8.511 11.311 13.556 277 HG LEU 41 HG LEU 41 -8.083 8.498 12.638 278 HD11 LEU 41 1HD1 LEU 41 -6.384 8.607 14.246 279 HD12 LEU 41 2HD1 LEU 41 -7.780 7.964 15.111 280 HD13 LEU 41 3HD1 LEU 41 -7.328 9.658 15.301 281 HD21 LEU 41 3HD2 LEU 41 -10.302 9.866 13.334 282 HD22 LEU 41 1HD2 LEU 41 -9.834 9.198 14.898 283 HD23 LEU 41 2HD2 LEU 41 -10.117 8.122 13.529 284 H ASN 42 H ASN 42 -6.444 12.283 10.424 285 HA ASN 42 HA ASN 42 -7.754 14.852 10.956 286 HB2 ASN 42 1HB ASN 42 -5.230 14.157 11.520 287 HB3 ASN 42 2HB ASN 42 -4.985 14.740 9.876 288 HD21 ASN 42 1HD2 ASN 42 -5.250 16.902 9.420 289 HD22 ASN 42 2HD2 ASN 42 -5.388 18.105 10.652 290 HA PRO 43 HA PRO 43 -8.743 14.528 6.539 291 HB2 PRO 43 1HB PRO 43 -10.738 16.366 6.641 292 HB3 PRO 43 2HB PRO 43 -10.964 14.676 7.107 293 HG2 PRO 43 1HG PRO 43 -10.496 17.073 8.839 294 HG3 PRO 43 2HG PRO 43 -11.632 15.731 9.069 295 HD2 PRO 43 1HD PRO 43 -9.265 15.875 10.375 296 HD3 PRO 43 2HD PRO 43 -10.005 14.330 9.907 297 H ASN 44 H ASN 44 -7.263 16.849 8.401 298 HA ASN 44 HA ASN 44 -7.251 18.919 6.347 299 HB2 ASN 44 1HB ASN 44 -5.800 18.931 8.998 300 HB3 ASN 44 2HB ASN 44 -6.150 20.313 7.964 301 HD21 ASN 44 1HD2 ASN 44 -7.583 17.862 10.027 302 HD22 ASN 44 2HD2 ASN 44 -9.014 18.752 10.406 303 H ILE 45 H ILE 45 -5.788 16.129 6.488 304 HA ILE 45 HA ILE 45 -3.123 17.144 5.753 305 HB ILE 45 HB ILE 45 -3.905 14.350 6.594 306 HG12 ILE 45 1HG1 ILE 45 -3.979 15.822 8.497 307 HG13 ILE 45 2HG1 ILE 45 -2.495 14.881 8.597 308 HG21 ILE 45 1HG2 ILE 45 -1.130 14.731 6.765 309 HG22 ILE 45 2HG2 ILE 45 -2.011 13.697 5.641 310 HG23 ILE 45 3HG2 ILE 45 -1.618 15.356 5.190 311 HD11 ILE 45 3HD1 ILE 45 -1.445 16.939 7.399 312 HD12 ILE 45 1HD1 ILE 45 -2.867 17.777 8.018 313 HD13 ILE 45 2HD1 ILE 45 -1.757 16.982 9.134 314 H VAL 46 H VAL 46 -2.241 16.651 3.793 315 HA VAL 46 HA VAL 46 -4.063 15.803 1.726 316 HB VAL 46 HB VAL 46 -1.141 16.553 1.555 317 HG11 VAL 46 1HG1 VAL 46 -3.198 15.933 -0.542 318 HG12 VAL 46 2HG1 VAL 46 -1.780 16.924 -0.889 319 HG13 VAL 46 3HG1 VAL 46 -1.581 15.257 -0.349 320 HG21 VAL 46 3HG2 VAL 46 -2.771 18.322 2.336 321 HG22 VAL 46 1HG2 VAL 46 -1.840 18.713 0.890 322 HG23 VAL 46 2HG2 VAL 46 -3.523 18.205 0.745 323 H VAL 47 H VAL 47 -4.003 13.944 0.539 324 HA VAL 47 HA VAL 47 -1.953 11.949 1.216 325 HB VAL 47 HB VAL 47 -4.896 11.315 0.970 326 HG11 VAL 47 1HG1 VAL 47 -2.484 9.636 1.626 327 HG12 VAL 47 2HG1 VAL 47 -4.146 9.107 1.891 328 HG13 VAL 47 3HG1 VAL 47 -3.582 9.460 0.258 329 HG21 VAL 47 3HG2 VAL 47 -3.796 12.566 3.093 330 HG22 VAL 47 1HG2 VAL 47 -5.146 11.437 3.209 331 HG23 VAL 47 2HG2 VAL 47 -3.503 10.884 3.531 332 H ARG 48 H ARG 48 -0.982 11.231 -0.553 333 HA ARG 48 HA ARG 48 -2.266 11.621 -3.148 334 HB2 ARG 48 1HB ARG 48 0.572 10.867 -2.425 335 HB3 ARG 48 2HB ARG 48 -0.017 11.095 -4.066 336 HG2 ARG 48 1HG ARG 48 0.165 13.179 -1.902 337 HG3 ARG 48 2HG ARG 48 1.146 13.068 -3.365 338 HD2 ARG 48 1HD ARG 48 -1.150 13.188 -4.585 339 HD3 ARG 48 2HD ARG 48 -1.722 13.856 -3.057 340 HE ARG 48 HE ARG 48 0.432 15.373 -3.562 341 HH11 ARG 48 1HH1 ARG 48 -2.276 14.438 -5.539 342 HH12 ARG 48 2HH1 ARG 48 -2.249 15.887 -6.489 343 HH21 ARG 48 1HH2 ARG 48 0.478 17.284 -4.805 344 HH22 ARG 48 2HH2 ARG 48 -0.682 17.505 -6.071 345 H GLY 49 H GLY 49 -1.672 9.163 -0.877 346 HA2 GLY 49 1HA GLY 49 -3.134 7.175 -1.943 347 HA3 GLY 49 2HA GLY 49 -1.612 6.995 -2.802 348 H TYR 50 H TYR 50 -1.615 4.860 -1.774 349 HA TYR 50 HA TYR 50 -0.215 4.984 0.784 350 HB2 TYR 50 1HB TYR 50 -2.254 2.828 0.514 351 HB3 TYR 50 2HB TYR 50 -1.637 3.615 1.962 352 HD1 TYR 50 2HD TYR 50 -3.880 4.110 -0.954 353 HD2 TYR 50 1HD TYR 50 -2.821 5.381 2.966 354 HE1 TYR 50 2HE TYR 50 -5.890 5.525 -0.876 355 HE2 TYR 50 1HE TYR 50 -4.828 6.799 3.055 356 HH TYR 50 HH TYR 50 -6.858 7.182 2.057 357 H ILE 51 H ILE 51 1.390 3.508 0.977 358 HA ILE 51 HA ILE 51 1.956 1.873 -1.365 359 HB ILE 51 HB ILE 51 3.677 2.273 1.081 360 HG12 ILE 51 1HG1 ILE 51 3.980 3.704 -1.554 361 HG13 ILE 51 2HG1 ILE 51 3.034 4.380 -0.232 362 HG21 ILE 51 1HG2 ILE 51 4.402 1.371 -1.702 363 HG22 ILE 51 2HG2 ILE 51 5.486 1.497 -0.317 364 HG23 ILE 51 3HG2 ILE 51 4.189 0.302 -0.316 365 HD11 ILE 51 3HD1 ILE 51 5.979 3.824 -0.319 366 HD12 ILE 51 1HD1 ILE 51 5.156 5.365 -0.081 367 HD13 ILE 51 2HD1 ILE 51 5.115 4.139 1.186 368 H ILE 52 H ILE 52 1.109 -0.101 -1.413 369 HA ILE 52 HA ILE 52 0.583 -1.550 1.052 370 HB ILE 52 HB ILE 52 -0.010 -2.261 -1.822 371 HG12 ILE 52 1HG1 ILE 52 -1.910 -1.482 0.396 372 HG13 ILE 52 2HG1 ILE 52 -1.279 -0.341 -0.787 373 HG21 ILE 52 1HG2 ILE 52 -1.237 -4.140 -1.029 374 HG22 ILE 52 2HG2 ILE 52 0.368 -4.219 -0.305 375 HG23 ILE 52 3HG2 ILE 52 -1.004 -3.659 0.652 376 HD11 ILE 52 3HD1 ILE 52 -3.069 -0.842 -1.996 377 HD12 ILE 52 1HD1 ILE 52 -2.273 -2.376 -2.344 378 HD13 ILE 52 2HD1 ILE 52 -3.432 -2.265 -1.019 379 H GLY 53 H GLY 53 2.438 -2.359 1.893 380 HA2 GLY 53 1HA GLY 53 4.241 -3.843 0.103 381 HA3 GLY 53 2HA GLY 53 4.662 -3.232 1.696 382 H TYR 54 H TYR 54 3.196 -5.812 -0.094 383 HA TYR 54 HA TYR 54 2.814 -7.324 2.405 384 HB2 TYR 54 1HB TYR 54 1.227 -8.713 1.203 385 HB3 TYR 54 2HB TYR 54 0.777 -7.021 1.024 386 HD1 TYR 54 1HD TYR 54 1.526 -5.836 -1.140 387 HD2 TYR 54 2HD TYR 54 1.472 -10.065 -0.681 388 HE1 TYR 54 1HE TYR 54 1.508 -6.095 -3.586 389 HE2 TYR 54 2HE TYR 54 1.455 -10.336 -3.125 390 HH TYR 54 HH TYR 54 0.639 -8.776 -5.143 391 H GLY 55 H GLY 55 3.341 -9.622 2.343 392 HA2 GLY 55 1HA GLY 55 4.697 -10.969 0.358 393 HA3 GLY 55 2HA GLY 55 5.930 -10.057 1.218 394 H VAL 56 H VAL 56 5.268 -13.004 0.970 395 HA VAL 56 HA VAL 56 4.388 -13.934 3.492 396 HB VAL 56 HB VAL 56 4.395 -15.334 1.453 397 HG11 VAL 56 1HG1 VAL 56 6.714 -14.494 0.764 398 HG12 VAL 56 2HG1 VAL 56 7.343 -15.726 1.859 399 HG13 VAL 56 3HG1 VAL 56 6.343 -16.195 0.484 400 HG21 VAL 56 3HG2 VAL 56 4.278 -17.058 2.849 401 HG22 VAL 56 1HG2 VAL 56 6.035 -17.087 3.002 402 HG23 VAL 56 2HG2 VAL 56 5.072 -16.085 4.087 403 H GLY 57 H GLY 57 5.394 -13.859 5.386 404 HA2 GLY 57 1HA GLY 57 7.105 -14.093 6.932 405 HA3 GLY 57 2HA GLY 57 8.214 -14.418 5.608 406 H SER 58 H SER 58 7.066 -11.812 4.386 407 HA SER 58 HA SER 58 8.030 -9.742 6.115 408 HB2 SER 58 1HB SER 58 9.653 -9.956 3.618 409 HB3 SER 58 2HB SER 58 10.070 -9.230 5.170 410 HG SER 58 HG SER 58 10.875 -11.068 5.783 411 HA PRO 59 HA PRO 59 5.105 -7.719 3.463 412 HB2 PRO 59 1HB PRO 59 5.326 -5.255 4.583 413 HB3 PRO 59 2HB PRO 59 4.435 -6.580 5.343 414 HG2 PRO 59 1HG PRO 59 7.209 -5.599 5.896 415 HG3 PRO 59 2HG PRO 59 5.942 -6.077 7.041 416 HD2 PRO 59 1HD PRO 59 7.993 -7.713 6.371 417 HD3 PRO 59 2HD PRO 59 6.377 -8.325 6.777 418 H TYR 60 H TYR 60 8.274 -7.715 3.108 419 HA TYR 60 HA TYR 60 8.352 -5.370 1.329 420 HB2 TYR 60 1HB TYR 60 10.770 -6.874 2.310 421 HB3 TYR 60 2HB TYR 60 10.691 -5.248 1.642 422 HD1 TYR 60 1HD TYR 60 8.923 -3.710 3.082 423 HD2 TYR 60 2HD TYR 60 11.237 -6.960 4.558 424 HE1 TYR 60 1HE TYR 60 8.770 -2.779 5.354 425 HE2 TYR 60 2HE TYR 60 11.090 -6.039 6.834 426 HH TYR 60 HH TYR 60 10.113 -4.501 8.138 427 H ALA 61 H ALA 61 7.317 -8.168 0.850 428 HA ALA 61 HA ALA 61 9.162 -9.183 -1.160 429 HB1 ALA 61 3HB ALA 61 7.951 -11.143 -1.144 430 HB2 ALA 61 1HB ALA 61 7.725 -10.574 0.510 431 HB3 ALA 61 2HB ALA 61 6.450 -10.339 -0.686 432 H GLU 62 H GLU 62 6.141 -7.446 -0.939 433 HA GLU 62 HA GLU 62 6.275 -6.873 -3.786 434 HB2 GLU 62 1HB GLU 62 3.946 -8.267 -2.478 435 HB3 GLU 62 2HB GLU 62 3.771 -7.355 -3.971 436 HG2 GLU 62 1HG GLU 62 5.800 -8.891 -4.706 437 HG3 GLU 62 2HG GLU 62 5.112 -9.948 -3.474 438 H THR 63 H THR 63 5.923 -4.781 -4.097 439 HA THR 63 HA THR 63 4.364 -3.307 -2.074 440 HB THR 63 HB THR 63 5.867 -1.364 -3.259 441 HG1 THR 63 1HG THR 63 7.078 -3.074 -4.346 442 HG21 THR 63 3HG2 THR 63 6.098 -2.959 -0.765 443 HG22 THR 63 1HG2 THR 63 5.825 -1.231 -0.980 444 HG23 THR 63 2HG2 THR 63 7.445 -1.899 -1.181 445 H VAL 64 H VAL 64 2.754 -1.993 -2.752 446 HA VAL 64 HA VAL 64 2.507 -1.402 -5.611 447 HB VAL 64 HB VAL 64 0.501 -2.886 -3.947 448 HG11 VAL 64 1HG1 VAL 64 -0.081 -1.152 -6.342 449 HG12 VAL 64 2HG1 VAL 64 -1.180 -2.387 -5.726 450 HG13 VAL 64 3HG1 VAL 64 -0.755 -1.002 -4.719 451 HG21 VAL 64 3HG2 VAL 64 1.732 -3.223 -6.667 452 HG22 VAL 64 1HG2 VAL 64 1.798 -4.315 -5.284 453 HG23 VAL 64 2HG2 VAL 64 0.290 -4.111 -6.175 454 H ARG 65 H ARG 65 2.431 0.741 -5.705 455 HA ARG 65 HA ARG 65 1.292 2.277 -3.515 456 HB2 ARG 65 1HB ARG 65 3.022 2.870 -5.863 457 HB3 ARG 65 2HB ARG 65 2.027 4.178 -5.237 458 HG2 ARG 65 1HG ARG 65 3.192 4.321 -3.285 459 HG3 ARG 65 2HG ARG 65 3.645 2.615 -3.303 460 HD2 ARG 65 1HD ARG 65 4.750 4.682 -5.197 461 HD3 ARG 65 2HD ARG 65 5.539 4.195 -3.697 462 HE ARG 65 HE ARG 65 4.926 2.003 -5.456 463 HH11 ARG 65 1HH1 ARG 65 7.248 4.466 -4.640 464 HH12 ARG 65 2HH1 ARG 65 8.589 3.613 -5.329 465 HH21 ARG 65 1HH2 ARG 65 6.684 0.871 -6.367 466 HH22 ARG 65 2HH2 ARG 65 8.268 1.569 -6.312 467 H VAL 66 H VAL 66 -0.821 2.642 -3.498 468 HA VAL 66 HA VAL 66 -2.259 2.861 -6.049 469 HB VAL 66 HB VAL 66 -4.303 2.733 -4.458 470 HG11 VAL 66 1HG1 VAL 66 -3.720 0.977 -6.019 471 HG12 VAL 66 2HG1 VAL 66 -2.493 0.362 -4.911 472 HG13 VAL 66 3HG1 VAL 66 -4.200 0.270 -4.477 473 HG21 VAL 66 3HG2 VAL 66 -2.558 1.180 -2.639 474 HG22 VAL 66 1HG2 VAL 66 -2.506 2.937 -2.493 475 HG23 VAL 66 2HG2 VAL 66 -4.036 2.080 -2.300 476 H ASP 67 H ASP 67 -4.282 4.358 -5.804 477 HA ASP 67 HA ASP 67 -3.253 7.000 -5.275 478 HB2 ASP 67 1HB ASP 67 -6.047 6.237 -6.140 479 HB3 ASP 67 2HB ASP 67 -5.270 7.810 -6.305 480 H SER 68 H SER 68 -4.493 8.598 -4.026 481 HA SER 68 HA SER 68 -4.997 7.653 -1.397 482 HB2 SER 68 1HB SER 68 -4.098 9.859 -1.647 483 HB3 SER 68 2HB SER 68 -5.425 10.347 -2.701 484 HG SER 68 HG SER 68 -6.176 9.416 -0.212 485 H LYS 69 H LYS 69 -6.854 7.324 -4.039 486 HA LYS 69 HA LYS 69 -9.411 7.875 -2.735 487 HB2 LYS 69 1HB LYS 69 -10.262 7.021 -5.045 488 HB3 LYS 69 2HB LYS 69 -9.537 8.619 -4.926 489 HG2 LYS 69 1HG LYS 69 -7.466 7.812 -5.823 490 HG3 LYS 69 2HG LYS 69 -8.048 6.146 -5.782 491 HD2 LYS 69 1HD LYS 69 -9.580 6.526 -7.522 492 HD3 LYS 69 2HD LYS 69 -9.458 8.279 -7.361 493 HE2 LYS 69 1HE LYS 69 -6.957 7.882 -7.972 494 HE3 LYS 69 2HE LYS 69 -7.547 6.348 -8.610 495 HZ1 LYS 69 3HZ LYS 69 -7.685 8.908 -9.776 496 HZ2 LYS 69 1HZ LYS 69 -9.258 8.331 -9.537 497 HZ3 LYS 69 2HZ LYS 69 -8.150 7.420 -10.434 498 H GLN 70 H GLN 70 -7.345 5.238 -3.660 499 HA GLN 70 HA GLN 70 -9.265 3.161 -3.522 500 HB2 GLN 70 1HB GLN 70 -6.321 2.871 -2.939 501 HB3 GLN 70 2HB GLN 70 -7.422 1.652 -3.569 502 HG2 GLN 70 1HG GLN 70 -6.372 4.085 -4.985 503 HG3 GLN 70 2HG GLN 70 -6.053 2.392 -5.360 504 HE21 GLN 70 1HE2 GLN 70 -8.798 4.608 -4.977 505 HE22 GLN 70 2HE2 GLN 70 -9.694 4.003 -6.324 506 H ARG 71 H ARG 71 -10.340 2.496 -1.796 507 HA ARG 71 HA ARG 71 -9.222 3.003 0.867 508 HB2 ARG 71 1HB ARG 71 -11.366 3.882 0.848 509 HB3 ARG 71 2HB ARG 71 -11.989 2.610 -0.195 510 HG2 ARG 71 1HG ARG 71 -12.133 1.077 1.579 511 HG3 ARG 71 2HG ARG 71 -11.130 2.079 2.629 512 HD2 ARG 71 1HD ARG 71 -13.011 3.837 2.330 513 HD3 ARG 71 2HD ARG 71 -13.983 2.462 1.807 514 HE ARG 71 HE ARG 71 -12.692 1.909 4.270 515 HH11 ARG 71 1HH1 ARG 71 -15.341 3.691 2.881 516 HH12 ARG 71 2HH1 ARG 71 -16.290 3.664 4.331 517 HH21 ARG 71 1HH2 ARG 71 -13.932 1.867 6.185 518 HH22 ARG 71 2HH2 ARG 71 -15.487 2.627 6.209 519 H TYR 72 H TYR 72 -9.192 0.593 -1.324 520 HA TYR 72 HA TYR 72 -8.425 -1.383 0.567 521 HB2 TYR 72 1HB TYR 72 -10.203 -2.831 0.609 522 HB3 TYR 72 2HB TYR 72 -11.077 -1.311 0.469 523 HD1 TYR 72 1HD TYR 72 -12.052 -0.639 -1.704 524 HD2 TYR 72 2HD TYR 72 -10.224 -4.443 -1.159 525 HE1 TYR 72 1HE TYR 72 -13.144 -1.451 -3.753 526 HE2 TYR 72 2HE TYR 72 -11.310 -5.265 -3.207 527 HH TYR 72 HH TYR 72 -13.819 -3.578 -4.760 528 H TYR 73 H TYR 73 -7.510 -3.233 -0.411 529 HA TYR 73 HA TYR 73 -7.362 -3.214 -3.341 530 HB2 TYR 73 1HB TYR 73 -5.381 -2.017 -2.337 531 HB3 TYR 73 2HB TYR 73 -4.925 -3.541 -1.585 532 HD1 TYR 73 2HD TYR 73 -4.192 -5.441 -2.980 533 HD2 TYR 73 1HD TYR 73 -5.021 -1.626 -4.674 534 HE1 TYR 73 2HE TYR 73 -2.985 -6.091 -5.022 535 HE2 TYR 73 1HE TYR 73 -3.817 -2.267 -6.721 536 HH TYR 73 HH TYR 73 -1.840 -4.075 -7.203 537 H SER 74 H SER 74 -7.423 -5.186 -4.253 538 HA SER 74 HA SER 74 -7.494 -7.495 -2.440 539 HB2 SER 74 1HB SER 74 -8.451 -7.495 -5.297 540 HB3 SER 74 2HB SER 74 -8.913 -8.578 -3.984 541 HG SER 74 HG SER 74 -9.632 -6.349 -3.051 542 H ILE 75 H ILE 75 -5.432 -8.210 -2.276 543 HA ILE 75 HA ILE 75 -3.647 -8.309 -4.519 544 HB ILE 75 HB ILE 75 -3.300 -9.703 -1.867 545 HG12 ILE 75 1HG1 ILE 75 -2.528 -6.882 -2.644 546 HG13 ILE 75 2HG1 ILE 75 -3.793 -7.323 -1.502 547 HG21 ILE 75 1HG2 ILE 75 -1.192 -8.620 -3.717 548 HG22 ILE 75 2HG2 ILE 75 -0.990 -9.723 -2.357 549 HG23 ILE 75 3HG2 ILE 75 -1.801 -10.272 -3.824 550 HD11 ILE 75 3HD1 ILE 75 -1.748 -6.605 -0.383 551 HD12 ILE 75 1HD1 ILE 75 -2.139 -8.285 -0.014 552 HD13 ILE 75 2HD1 ILE 75 -0.861 -7.910 -1.171 553 H GLU 76 H GLU 76 -3.349 -9.912 -5.929 554 HA GLU 76 HA GLU 76 -4.448 -12.567 -5.288 555 HB2 GLU 76 1HB GLU 76 -4.559 -11.211 -7.988 556 HB3 GLU 76 2HB GLU 76 -5.174 -12.813 -7.605 557 HG2 GLU 76 1HG GLU 76 -6.560 -11.447 -5.812 558 HG3 GLU 76 2HG GLU 76 -6.294 -10.145 -6.970 559 H ARG 77 H ARG 77 -3.626 -14.123 -7.209 560 HA ARG 77 HA ARG 77 -1.862 -15.261 -8.087 561 HB2 ARG 77 1HB ARG 77 -0.433 -12.598 -8.094 562 HB3 ARG 77 2HB ARG 77 -0.023 -14.017 -9.048 563 HG2 ARG 77 1HG ARG 77 -2.605 -12.493 -9.304 564 HG3 ARG 77 2HG ARG 77 -1.187 -12.240 -10.323 565 HD2 ARG 77 1HD ARG 77 -2.372 -14.971 -10.023 566 HD3 ARG 77 2HD ARG 77 -3.087 -13.809 -11.139 567 HE ARG 77 HE ARG 77 -0.442 -13.799 -11.778 568 HH11 ARG 77 1HH1 ARG 77 -2.877 -16.272 -11.500 569 HH12 ARG 77 2HH1 ARG 77 -2.166 -17.290 -12.708 570 HH21 ARG 77 1HH2 ARG 77 0.503 -15.131 -13.370 571 HH22 ARG 77 2HH2 ARG 77 -0.243 -16.641 -13.770 572 H LEU 78 H LEU 78 -2.167 -15.189 -5.287 573 HA LEU 78 HA LEU 78 0.615 -15.167 -4.327 574 HB2 LEU 78 1HB LEU 78 -1.845 -15.284 -2.607 575 HB3 LEU 78 2HB LEU 78 -0.200 -14.864 -2.132 576 HG LEU 78 HG LEU 78 -1.856 -13.158 -3.981 577 HD11 LEU 78 1HD1 LEU 78 -1.710 -13.191 -0.986 578 HD12 LEU 78 2HD1 LEU 78 -3.132 -13.136 -2.026 579 HD13 LEU 78 3HD1 LEU 78 -2.093 -11.719 -1.880 580 HD21 LEU 78 3HD2 LEU 78 -0.085 -11.579 -2.605 581 HD22 LEU 78 1HD2 LEU 78 0.143 -12.195 -4.242 582 HD23 LEU 78 2HD2 LEU 78 0.840 -13.057 -2.871 583 H GLU 79 H GLU 79 0.765 -16.806 -2.336 584 HA GLU 79 HA GLU 79 0.132 -19.418 -3.488 585 HB2 GLU 79 1HB GLU 79 1.785 -20.302 -1.912 586 HB3 GLU 79 2HB GLU 79 2.463 -18.999 -2.877 587 HG2 GLU 79 1HG GLU 79 1.967 -17.462 -0.950 588 HG3 GLU 79 2HG GLU 79 1.592 -18.902 -0.005 589 H SER 80 H SER 80 -0.019 -21.124 -1.497 590 HA SER 80 HA SER 80 -2.188 -20.142 0.241 591 HB2 SER 80 1HB SER 80 -3.350 -22.233 -0.016 592 HB3 SER 80 2HB SER 80 -2.969 -21.633 -1.630 593 HG SER 80 HG SER 80 -2.319 -23.695 -1.707 594 H SER 81 H SER 81 -2.364 -21.096 2.309 595 HA SER 81 HA SER 81 -1.556 -21.867 4.291 596 HB2 SER 81 1HB SER 81 -0.016 -23.768 2.504 597 HB3 SER 81 2HB SER 81 -0.227 -23.950 4.246 598 HG SER 81 HG SER 81 -1.735 -25.121 2.792 599 H SER 82 H SER 82 -0.406 -19.576 3.619 600 HA SER 82 HA SER 82 2.254 -19.834 4.742 601 HB2 SER 82 1HB SER 82 2.097 -18.143 2.285 602 HB3 SER 82 2HB SER 82 3.483 -18.978 2.986 603 HG SER 82 HG SER 82 1.299 -20.327 1.787 604 H HIS 83 H HIS 83 2.757 -18.153 6.030 605 HA HIS 83 HA HIS 83 0.755 -16.203 6.597 606 HB2 HIS 83 1HB HIS 83 2.100 -17.013 8.412 607 HB3 HIS 83 2HB HIS 83 3.587 -16.550 7.590 608 HD1 HIS 83 1HD HIS 83 4.412 -14.944 9.371 609 HD2 HIS 83 2HD HIS 83 0.596 -14.042 7.997 610 HE1 HIS 83 1HE HIS 83 3.875 -12.676 10.317 611 HE2 HIS 83 2HE HIS 83 1.529 -12.189 9.542 612 H TYR 84 H TYR 84 0.463 -14.278 5.695 613 HA TYR 84 HA TYR 84 2.690 -13.098 4.168 614 HB2 TYR 84 1HB TYR 84 -0.194 -13.414 3.548 615 HB3 TYR 84 2HB TYR 84 0.551 -11.893 3.068 616 HD1 TYR 84 1HD TYR 84 1.305 -15.556 2.914 617 HD2 TYR 84 2HD TYR 84 1.424 -11.789 0.939 618 HE1 TYR 84 1HE TYR 84 2.215 -16.645 0.905 619 HE2 TYR 84 2HE TYR 84 2.333 -12.867 -1.075 620 HH TYR 84 HH TYR 84 3.630 -15.920 -1.100 621 H VAL 85 H VAL 85 3.480 -11.308 5.031 622 HA VAL 85 HA VAL 85 1.953 -9.847 7.027 623 HB VAL 85 HB VAL 85 4.735 -9.194 6.072 624 HG11 VAL 85 1HG1 VAL 85 3.104 -8.532 8.501 625 HG12 VAL 85 2HG1 VAL 85 4.865 -8.420 8.513 626 HG13 VAL 85 3HG1 VAL 85 3.925 -7.440 7.387 627 HG21 VAL 85 3HG2 VAL 85 3.785 -11.402 7.809 628 HG22 VAL 85 1HG2 VAL 85 5.184 -11.322 6.738 629 HG23 VAL 85 2HG2 VAL 85 5.236 -10.537 8.316 630 H ILE 86 H ILE 86 0.713 -8.183 6.501 631 HA ILE 86 HA ILE 86 1.279 -6.721 4.013 632 HB ILE 86 HB ILE 86 -1.288 -6.731 5.602 633 HG12 ILE 86 1HG1 ILE 86 -1.006 -8.085 2.954 634 HG13 ILE 86 2HG1 ILE 86 -0.412 -8.917 4.387 635 HG21 ILE 86 1HG2 ILE 86 -1.603 -4.879 4.367 636 HG22 ILE 86 2HG2 ILE 86 -0.334 -5.304 3.220 637 HG23 ILE 86 3HG2 ILE 86 -1.936 -6.024 3.068 638 HD11 ILE 86 3HD1 ILE 86 -2.541 -9.720 4.276 639 HD12 ILE 86 1HD1 ILE 86 -2.786 -8.323 5.324 640 HD13 ILE 86 2HD1 ILE 86 -3.192 -8.223 3.610 641 H SER 87 H SER 87 2.042 -4.720 4.132 642 HA SER 87 HA SER 87 1.608 -3.192 6.614 643 HB2 SER 87 1HB SER 87 3.827 -2.308 6.493 644 HB3 SER 87 2HB SER 87 3.969 -4.055 6.305 645 HG SER 87 HG SER 87 4.796 -2.155 4.649 646 H LEU 88 H LEU 88 0.140 -1.696 6.092 647 HA LEU 88 HA LEU 88 0.362 -0.326 3.505 648 HB2 LEU 88 1HB LEU 88 -1.805 -1.126 3.718 649 HB3 LEU 88 2HB LEU 88 -1.876 -0.759 5.441 650 HG LEU 88 HG LEU 88 -1.803 1.717 4.654 651 HD11 LEU 88 1HD1 LEU 88 -2.624 0.274 2.145 652 HD12 LEU 88 2HD1 LEU 88 -1.313 1.434 2.351 653 HD13 LEU 88 3HD1 LEU 88 -2.989 1.971 2.455 654 HD21 LEU 88 3HD2 LEU 88 -3.707 0.460 5.722 655 HD22 LEU 88 1HD2 LEU 88 -4.303 0.136 4.094 656 HD23 LEU 88 2HD2 LEU 88 -4.173 1.798 4.670 657 H LYS 89 H LYS 89 0.940 1.751 3.372 658 HA LYS 89 HA LYS 89 0.799 3.447 5.752 659 HB2 LYS 89 1HB LYS 89 3.053 4.091 5.706 660 HB3 LYS 89 2HB LYS 89 3.104 2.346 5.491 661 HG2 LYS 89 1HG LYS 89 3.567 2.547 3.183 662 HG3 LYS 89 2HG LYS 89 3.180 4.269 3.184 663 HD2 LYS 89 1HD LYS 89 5.456 4.406 3.260 664 HD3 LYS 89 2HD LYS 89 5.123 4.318 4.991 665 HE2 LYS 89 1HE LYS 89 5.547 1.924 4.969 666 HE3 LYS 89 2HE LYS 89 5.810 1.968 3.227 667 HZ1 LYS 89 3HZ LYS 89 7.775 3.206 3.501 668 HZ2 LYS 89 1HZ LYS 89 7.860 1.973 4.657 669 HZ3 LYS 89 2HZ LYS 89 7.447 3.545 5.126 670 H ALA 90 H ALA 90 0.507 5.614 5.330 671 HA ALA 90 HA ALA 90 -0.414 6.257 2.670 672 HB1 ALA 90 3HB ALA 90 -0.268 8.021 5.111 673 HB2 ALA 90 1HB ALA 90 -1.172 8.341 3.631 674 HB3 ALA 90 2HB ALA 90 -1.638 6.999 4.677 675 H PHE 91 H PHE 91 0.366 7.959 1.370 676 HA PHE 91 HA PHE 91 2.963 9.102 2.067 677 HB2 PHE 91 1HB PHE 91 4.017 8.434 0.025 678 HB3 PHE 91 2HB PHE 91 3.333 6.984 0.754 679 HD1 PHE 91 1HD PHE 91 2.952 9.455 -1.943 680 HD2 PHE 91 2HD PHE 91 1.600 5.759 -0.321 681 HE1 PHE 91 1HE PHE 91 1.739 8.985 -4.031 682 HE2 PHE 91 2HE PHE 91 0.386 5.283 -2.407 683 HZ PHE 91 HZ PHE 91 0.455 6.897 -4.266 684 H ASN 92 H ASN 92 3.579 10.902 0.669 685 HA ASN 92 HA ASN 92 1.689 12.001 -1.175 686 HB2 ASN 92 1HB ASN 92 1.006 13.940 0.062 687 HB3 ASN 92 2HB ASN 92 0.643 12.528 1.049 688 HD21 ASN 92 1HD2 ASN 92 0.651 14.668 2.453 689 HD22 ASN 92 2HD2 ASN 92 2.109 14.899 3.351 690 H ASN 93 H ASN 93 2.374 14.555 -1.369 691 HA ASN 93 HA ASN 93 4.840 14.573 -2.617 692 HB2 ASN 93 1HB ASN 93 2.996 16.684 -1.610 693 HB3 ASN 93 2HB ASN 93 4.628 17.175 -2.052 694 HD21 ASN 93 1HD2 ASN 93 2.515 14.714 -3.458 695 HD22 ASN 93 2HD2 ASN 93 2.465 15.410 -5.039 696 H ALA 94 H ALA 94 4.149 14.661 0.721 697 HA ALA 94 HA ALA 94 6.667 15.895 1.472 698 HB1 ALA 94 3HB ALA 94 5.730 16.228 3.475 699 HB2 ALA 94 1HB ALA 94 4.221 15.757 2.692 700 HB3 ALA 94 2HB ALA 94 5.160 14.563 3.589 701 H GLY 95 H GLY 95 5.334 12.721 1.031 702 HA2 GLY 95 1HA GLY 95 7.252 11.090 0.623 703 HA3 GLY 95 2HA GLY 95 7.740 11.530 2.253 704 H GLU 96 H GLU 96 7.393 9.783 3.471 705 HA GLU 96 HA GLU 96 4.750 8.491 3.286 706 HB2 GLU 96 1HB GLU 96 7.292 7.162 4.227 707 HB3 GLU 96 2HB GLU 96 5.746 6.397 3.889 708 HG2 GLU 96 1HG GLU 96 5.987 6.794 1.544 709 HG3 GLU 96 2HG GLU 96 7.430 7.771 1.811 710 H GLY 97 H GLY 97 3.757 7.826 5.227 711 HA2 GLY 97 1HA GLY 97 4.831 9.182 7.623 712 HA3 GLY 97 2HA GLY 97 3.116 9.014 7.278 713 H VAL 98 H VAL 98 3.770 8.235 9.690 714 HA VAL 98 HA VAL 98 4.838 5.912 10.424 715 HB VAL 98 HB VAL 98 3.572 7.215 12.009 716 HG11 VAL 98 1HG1 VAL 98 0.912 6.417 11.663 717 HG12 VAL 98 2HG1 VAL 98 1.588 8.030 11.425 718 HG13 VAL 98 3HG1 VAL 98 1.474 6.911 10.066 719 HG21 VAL 98 3HG2 VAL 98 3.939 4.924 12.639 720 HG22 VAL 98 1HG2 VAL 98 2.326 5.402 13.167 721 HG23 VAL 98 2HG2 VAL 98 2.522 4.401 11.728 722 HA PRO 99 HA PRO 99 2.942 3.089 7.449 723 HB2 PRO 99 1HB PRO 99 4.761 1.113 7.843 724 HB3 PRO 99 2HB PRO 99 5.069 2.508 6.803 725 HG2 PRO 99 1HG PRO 99 5.936 2.023 9.627 726 HG3 PRO 99 2HG PRO 99 6.862 2.694 8.272 727 HD2 PRO 99 1HD PRO 99 5.757 4.250 10.192 728 HD3 PRO 99 2HD PRO 99 5.934 4.790 8.510 729 H LEU 100 H LEU 100 1.468 1.510 7.769 730 HA LEU 100 HA LEU 100 1.201 0.453 10.498 731 HB2 LEU 100 1HB LEU 100 -0.647 1.807 9.256 732 HB3 LEU 100 2HB LEU 100 -0.947 0.281 8.427 733 HG LEU 100 HG LEU 100 -1.145 -0.681 10.839 734 HD11 LEU 100 1HD1 LEU 100 -1.568 2.267 11.289 735 HD12 LEU 100 2HD1 LEU 100 -0.397 1.214 12.083 736 HD13 LEU 100 3HD1 LEU 100 -2.120 1.008 12.394 737 HD21 LEU 100 3HD2 LEU 100 -3.513 0.938 10.449 738 HD22 LEU 100 1HD2 LEU 100 -3.305 -0.809 10.321 739 HD23 LEU 100 2HD2 LEU 100 -2.950 0.225 8.937 740 H TYR 101 H TYR 101 1.643 -1.614 10.849 741 HA TYR 101 HA TYR 101 1.996 -3.396 8.559 742 HB2 TYR 101 1HB TYR 101 2.923 -3.457 11.415 743 HB3 TYR 101 2HB TYR 101 2.939 -4.922 10.440 744 HD1 TYR 101 1HD TYR 101 4.149 -1.396 10.428 745 HD2 TYR 101 2HD TYR 101 4.772 -5.384 9.082 746 HE1 TYR 101 1HE TYR 101 6.317 -0.730 9.477 747 HE2 TYR 101 2HE TYR 101 6.942 -4.730 8.129 748 HH TYR 101 HH TYR 101 7.947 -2.420 7.257 749 H GLU 102 H GLU 102 1.287 -5.682 8.819 750 HA GLU 102 HA GLU 102 -0.879 -6.245 10.618 751 HB2 GLU 102 1HB GLU 102 -1.729 -4.850 8.519 752 HB3 GLU 102 2HB GLU 102 -1.696 -6.435 7.759 753 HG2 GLU 102 1HG GLU 102 -3.886 -5.687 8.791 754 HG3 GLU 102 2HG GLU 102 -3.307 -7.297 9.213 755 H SER 103 H SER 103 -1.952 -8.419 9.897 756 HA SER 103 HA SER 103 0.059 -10.166 8.659 757 HB2 SER 103 1HB SER 103 -0.381 -11.869 10.425 758 HB3 SER 103 2HB SER 103 0.376 -10.405 11.054 759 HG SER 103 HG SER 103 -2.242 -11.347 11.386 760 H ALA 104 H ALA 104 -0.745 -11.954 7.574 761 HA ALA 104 HA ALA 104 -3.522 -12.664 7.666 762 HB1 ALA 104 3HB ALA 104 -3.256 -10.529 6.182 763 HB2 ALA 104 1HB ALA 104 -2.670 -11.680 4.982 764 HB3 ALA 104 2HB ALA 104 -4.291 -11.856 5.655 765 H THR 105 H THR 105 -3.242 -14.801 7.728 766 HA THR 105 HA THR 105 -1.209 -16.055 6.044 767 HB THR 105 HB THR 105 -2.969 -17.383 8.110 768 HG1 THR 105 1HG THR 105 -0.276 -16.726 8.584 769 HG21 THR 105 3HG2 THR 105 -0.921 -18.953 8.112 770 HG22 THR 105 1HG2 THR 105 -0.534 -18.209 6.561 771 HG23 THR 105 2HG2 THR 105 -2.060 -19.067 6.771 772 H THR 106 H THR 106 -1.803 -16.638 4.066 773 HA THR 106 HA THR 106 -4.317 -16.745 2.993 774 HB THR 106 HB THR 106 -3.300 -18.497 1.369 775 HG1 THR 106 1HG THR 106 -1.423 -19.241 1.977 776 HG21 THR 106 3HG2 THR 106 -1.704 -16.660 0.475 777 HG22 THR 106 1HG2 THR 106 -2.341 -15.689 1.801 778 HG23 THR 106 2HG2 THR 106 -3.431 -16.316 0.564 779 H ARG 107 H ARG 107 -5.469 -18.720 2.128 780 HA ARG 107 HA ARG 107 -5.921 -20.549 4.353 781 HB2 ARG 107 1HB ARG 107 -7.503 -20.493 1.796 782 HB3 ARG 107 2HB ARG 107 -8.013 -21.026 3.393 783 HG2 ARG 107 1HG ARG 107 -7.350 -18.167 2.741 784 HG3 ARG 107 2HG ARG 107 -8.974 -18.846 2.620 785 HD2 ARG 107 1HD ARG 107 -7.281 -18.795 5.116 786 HD3 ARG 107 2HD ARG 107 -8.598 -17.680 4.754 787 HE ARG 107 HE ARG 107 -8.828 -20.365 5.723 788 HH11 ARG 107 1HH1 ARG 107 -10.409 -17.868 3.882 789 HH12 ARG 107 2HH1 ARG 107 -12.003 -18.477 4.180 790 HH21 ARG 107 1HH2 ARG 107 -10.922 -21.176 6.122 791 HH22 ARG 107 2HH2 ARG 107 -12.294 -20.358 5.454 792 H SER 108 H SER 108 -6.497 -22.865 3.693 793 HA SER 108 HA SER 108 -4.312 -23.861 2.014 794 HB2 SER 108 1HB SER 108 -4.595 -25.981 3.161 795 HB3 SER 108 2HB SER 108 -4.499 -24.690 4.359 796 HG SER 108 HG SER 108 -6.517 -25.034 4.909 797 H ILE 109 H ILE 109 -4.646 -24.991 0.183 798 HA ILE 109 HA ILE 109 -7.304 -25.007 -0.934 799 HB ILE 109 HB ILE 109 -4.571 -25.571 -1.963 800 HG12 ILE 109 1HG1 ILE 109 -6.717 -24.239 -3.533 801 HG13 ILE 109 2HG1 ILE 109 -6.153 -23.412 -2.085 802 HG21 ILE 109 1HG2 ILE 109 -7.084 -26.616 -3.258 803 HG22 ILE 109 2HG2 ILE 109 -5.513 -26.509 -4.050 804 HG23 ILE 109 3HG2 ILE 109 -5.726 -27.568 -2.657 805 HD11 ILE 109 3HD1 ILE 109 -4.990 -22.680 -4.112 806 HD12 ILE 109 1HD1 ILE 109 -3.895 -23.400 -2.933 807 HD13 ILE 109 2HD1 ILE 109 -4.396 -24.323 -4.350 808 H THR 110 H THR 110 -4.847 -27.504 -0.270 809 HA THR 110 HA THR 110 -6.465 -29.708 -0.908 810 HB THR 110 HB THR 110 -4.431 -30.046 1.233 811 HG1 THR 110 1HG THR 110 -2.757 -29.487 -0.036 812 HG21 THR 110 3HG2 THR 110 -4.512 -32.136 0.470 813 HG22 THR 110 1HG2 THR 110 -4.017 -31.596 -1.134 814 HG23 THR 110 2HG2 THR 110 -5.727 -31.643 -0.708 815 H SER 111 H SER 111 -8.115 -30.626 0.116 816 HA SER 111 HA SER 111 -9.008 -29.594 2.645 817 HB2 SER 111 1HB SER 111 -10.900 -31.162 2.351 818 HB3 SER 111 2HB SER 111 -10.635 -30.173 0.915 819 HG SER 111 HG SER 111 -10.052 -32.899 1.327 820 H GLY 112 H GLY 112 -7.519 -30.170 4.207 821 HA2 GLY 112 1HA GLY 112 -6.597 -32.876 4.500 822 HA3 GLY 112 2HA GLY 112 -6.309 -31.548 5.615 823 HA PRO 113 HA PRO 113 -9.410 -34.630 7.370 824 HB2 PRO 113 1HB PRO 113 -7.913 -35.402 9.499 825 HB3 PRO 113 2HB PRO 113 -7.841 -36.212 7.929 826 HG2 PRO 113 1HG PRO 113 -5.995 -34.159 9.089 827 HG3 PRO 113 2HG PRO 113 -5.602 -35.639 8.194 828 HD2 PRO 113 1HD PRO 113 -5.588 -33.190 7.038 829 HD3 PRO 113 2HD PRO 113 -6.023 -34.663 6.148 830 H SER 114 H SER 114 -7.411 -32.060 8.625 831 HA SER 114 HA SER 114 -9.459 -31.490 10.666 832 HB2 SER 114 1HB SER 114 -6.931 -32.004 11.275 833 HB3 SER 114 2HB SER 114 -6.722 -30.305 10.849 834 HG SER 114 HG SER 114 -7.215 -30.294 12.978 835 H SER 115 H SER 115 -10.752 -30.266 9.265 836 HA SER 115 HA SER 115 -9.671 -27.598 8.691 837 HB2 SER 115 1HB SER 115 -10.855 -27.561 6.528 838 HB3 SER 115 2HB SER 115 -9.646 -28.844 6.578 839 HG SER 115 HG SER 115 -11.864 -29.905 7.478 840 H GLY 116 H GLY 116 -10.921 -26.016 9.450 841 HA2 GLY 116 1HA GLY 116 -13.735 -26.668 10.077 842 HA3 GLY 116 2HA GLY 116 -12.732 -25.656 11.106 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.989 11.725 -3.505 2 HA2 GLY 1 1HA GLY 1 -16.596 9.313 -3.837 3 HA3 GLY 1 2HA GLY 1 -17.264 10.560 -2.795 4 H SER 2 H SER 2 -18.297 12.263 -3.687 5 HA SER 2 HA SER 2 -18.386 12.350 -6.628 6 HB2 SER 2 1HB SER 2 -20.518 11.808 -5.371 7 HB3 SER 2 2HB SER 2 -20.469 13.452 -4.735 8 HG SER 2 HG SER 2 -21.559 12.740 -6.950 9 H SER 3 H SER 3 -16.535 13.706 -6.757 10 HA SER 3 HA SER 3 -17.187 16.512 -6.503 11 HB2 SER 3 1HB SER 3 -16.232 15.987 -4.285 12 HB3 SER 3 2HB SER 3 -14.771 15.382 -5.067 13 HG SER 3 HG SER 3 -14.248 17.409 -5.688 14 H GLY 4 H GLY 4 -15.945 17.843 -7.837 15 HA2 GLY 4 1HA GLY 4 -14.895 16.635 -10.158 16 HA3 GLY 4 2HA GLY 4 -14.747 18.334 -9.732 17 H SER 5 H SER 5 -12.656 18.759 -10.147 18 HA SER 5 HA SER 5 -10.539 16.931 -9.647 19 HB2 SER 5 1HB SER 5 -10.709 19.811 -10.449 20 HB3 SER 5 2HB SER 5 -9.158 19.155 -9.929 21 HG SER 5 HG SER 5 -10.764 18.360 -12.115 22 H SER 6 H SER 6 -9.578 16.466 -7.792 23 HA SER 6 HA SER 6 -10.255 17.242 -5.306 24 HB2 SER 6 1HB SER 6 -7.897 16.698 -4.601 25 HB3 SER 6 2HB SER 6 -8.663 15.468 -5.606 26 HG SER 6 HG SER 6 -7.212 15.803 -7.087 27 H GLY 7 H GLY 7 -7.778 18.854 -7.289 28 HA2 GLY 7 1HA GLY 7 -7.260 21.123 -7.335 29 HA3 GLY 7 2HA GLY 7 -8.375 21.378 -6.001 30 HA PRO 8 HA PRO 8 -3.933 21.671 -4.522 31 HB2 PRO 8 1HB PRO 8 -4.120 24.202 -3.559 32 HB3 PRO 8 2HB PRO 8 -3.662 23.841 -5.228 33 HG2 PRO 8 1HG PRO 8 -6.321 24.668 -4.130 34 HG3 PRO 8 2HG PRO 8 -5.497 25.219 -5.600 35 HD2 PRO 8 1HD PRO 8 -7.485 23.381 -5.646 36 HD3 PRO 8 2HD PRO 8 -6.143 23.365 -6.807 37 H GLU 9 H GLU 9 -3.356 22.680 -2.207 38 HA GLU 9 HA GLU 9 -5.142 21.325 -0.356 39 HB2 GLU 9 1HB GLU 9 -3.285 21.882 1.299 40 HB3 GLU 9 2HB GLU 9 -2.879 20.772 -0.002 41 HG2 GLU 9 1HG GLU 9 -1.747 22.514 -1.207 42 HG3 GLU 9 2HG GLU 9 -2.263 23.716 -0.026 43 H ASN 10 H ASN 10 -6.898 22.770 -0.317 44 HA ASN 10 HA ASN 10 -6.793 25.513 0.099 45 HB2 ASN 10 1HB ASN 10 -8.965 23.907 1.389 46 HB3 ASN 10 2HB ASN 10 -9.076 25.416 0.488 47 HD21 ASN 10 1HD2 ASN 10 -7.823 24.851 -1.831 48 HD22 ASN 10 2HD2 ASN 10 -8.659 23.600 -2.680 49 H ASP 11 H ASP 11 -7.690 23.177 2.638 50 HA ASP 11 HA ASP 11 -6.145 24.793 4.554 51 HB2 ASP 11 1HB ASP 11 -8.781 24.964 4.565 52 HB3 ASP 11 2HB ASP 11 -8.659 23.437 5.436 53 H LEU 12 H LEU 12 -5.173 22.513 3.265 54 HA LEU 12 HA LEU 12 -5.232 20.490 5.405 55 HB2 LEU 12 1HB LEU 12 -4.411 20.092 2.534 56 HB3 LEU 12 2HB LEU 12 -4.617 18.846 3.763 57 HG LEU 12 HG LEU 12 -6.961 20.528 3.000 58 HD11 LEU 12 1HD1 LEU 12 -6.849 19.908 0.869 59 HD12 LEU 12 2HD1 LEU 12 -7.131 18.256 1.419 60 HD13 LEU 12 3HD1 LEU 12 -5.483 18.836 1.179 61 HD21 LEU 12 3HD2 LEU 12 -7.657 19.127 4.636 62 HD22 LEU 12 1HD2 LEU 12 -6.414 17.925 4.290 63 HD23 LEU 12 2HD2 LEU 12 -7.854 18.021 3.276 64 H ASP 13 H ASP 13 -3.116 19.150 5.402 65 HA ASP 13 HA ASP 13 -0.837 21.012 5.223 66 HB2 ASP 13 1HB ASP 13 -1.598 20.444 7.565 67 HB3 ASP 13 2HB ASP 13 -1.124 18.779 7.238 68 H GLU 14 H GLU 14 -0.079 20.328 3.246 69 HA GLU 14 HA GLU 14 0.344 17.514 2.727 70 HB2 GLU 14 1HB GLU 14 -0.350 19.147 0.956 71 HB3 GLU 14 2HB GLU 14 1.240 19.884 1.083 72 HG2 GLU 14 1HG GLU 14 2.297 17.858 0.342 73 HG3 GLU 14 2HG GLU 14 0.754 17.006 0.353 74 H SER 15 H SER 15 2.239 20.323 3.624 75 HA SER 15 HA SER 15 4.806 19.519 3.100 76 HB2 SER 15 1HB SER 15 4.089 21.705 4.132 77 HB3 SER 15 2HB SER 15 3.972 20.863 5.678 78 HG SER 15 HG SER 15 6.004 21.869 5.419 79 H GLN 16 H GLN 16 2.589 18.173 5.367 80 HA GLN 16 HA GLN 16 4.734 16.534 6.540 81 HB2 GLN 16 1HB GLN 16 3.409 16.249 8.478 82 HB3 GLN 16 2HB GLN 16 3.293 17.956 8.072 83 HG2 GLN 16 1HG GLN 16 1.106 17.728 7.260 84 HG3 GLN 16 2HG GLN 16 1.230 15.971 7.183 85 HE21 GLN 16 1HE2 GLN 16 0.159 18.579 8.972 86 HE22 GLN 16 2HE2 GLN 16 -0.154 17.766 10.464 87 H VAL 17 H VAL 17 4.605 14.324 6.499 88 HA VAL 17 HA VAL 17 3.118 13.135 4.404 89 HB VAL 17 HB VAL 17 3.986 10.988 5.249 90 HG11 VAL 17 1HG1 VAL 17 6.510 12.010 5.400 91 HG12 VAL 17 2HG1 VAL 17 5.630 11.706 3.901 92 HG13 VAL 17 3HG1 VAL 17 5.636 13.321 4.610 93 HG21 VAL 17 3HG2 VAL 17 4.051 11.002 7.533 94 HG22 VAL 17 1HG2 VAL 17 5.740 11.374 7.191 95 HG23 VAL 17 2HG2 VAL 17 4.622 12.669 7.618 96 HA PRO 18 HA PRO 18 -0.685 12.094 6.344 97 HB2 PRO 18 1HB PRO 18 -1.331 9.847 4.964 98 HB3 PRO 18 2HB PRO 18 -1.420 11.465 4.260 99 HG2 PRO 18 1HG PRO 18 0.725 9.395 3.985 100 HG3 PRO 18 2HG PRO 18 0.013 10.440 2.742 101 HD2 PRO 18 1HD PRO 18 2.404 10.970 3.897 102 HD3 PRO 18 2HD PRO 18 1.305 12.251 3.347 103 H ASP 19 H ASP 19 -1.219 11.089 8.183 104 HA ASP 19 HA ASP 19 0.537 9.204 9.389 105 HB2 ASP 19 1HB ASP 19 -2.056 10.484 10.135 106 HB3 ASP 19 2HB ASP 19 -1.539 9.054 11.025 107 H GLN 20 H GLN 20 -0.278 7.113 10.324 108 HA GLN 20 HA GLN 20 -1.060 5.380 8.259 109 HB2 GLN 20 1HB GLN 20 -1.052 3.643 9.900 110 HB3 GLN 20 2HB GLN 20 0.252 4.752 10.304 111 HG2 GLN 20 1HG GLN 20 -1.575 5.838 11.840 112 HG3 GLN 20 2HG GLN 20 -2.313 4.242 11.717 113 HE21 GLN 20 1HE2 GLN 20 0.550 3.211 11.366 114 HE22 GLN 20 2HE2 GLN 20 1.133 3.091 12.988 115 HA PRO 21 HA PRO 21 -5.445 5.457 8.246 116 HB2 PRO 21 1HB PRO 21 -6.043 2.852 7.771 117 HB3 PRO 21 2HB PRO 21 -5.359 3.920 6.541 118 HG2 PRO 21 1HG PRO 21 -3.987 1.892 8.262 119 HG3 PRO 21 2HG PRO 21 -3.768 2.224 6.534 120 HD2 PRO 21 1HD PRO 21 -2.063 3.150 8.423 121 HD3 PRO 21 2HD PRO 21 -2.407 4.043 6.927 122 H SER 22 H SER 22 -6.758 5.701 9.932 123 HA SER 22 HA SER 22 -6.518 4.996 12.478 124 HB2 SER 22 1HB SER 22 -8.804 5.360 12.791 125 HB3 SER 22 2HB SER 22 -8.493 6.189 11.266 126 HG SER 22 HG SER 22 -10.108 4.079 11.772 127 H SER 23 H SER 23 -7.571 2.812 9.938 128 HA SER 23 HA SER 23 -6.899 0.533 11.570 129 HB2 SER 23 1HB SER 23 -9.730 0.713 10.530 130 HB3 SER 23 2HB SER 23 -9.043 -0.529 11.576 131 HG SER 23 HG SER 23 -10.362 1.363 12.483 132 H LEU 24 H LEU 24 -6.604 -1.361 10.371 133 HA LEU 24 HA LEU 24 -6.971 -1.136 7.464 134 HB2 LEU 24 1HB LEU 24 -4.724 -0.679 7.543 135 HB3 LEU 24 2HB LEU 24 -4.468 -1.654 8.989 136 HG LEU 24 HG LEU 24 -4.788 -3.688 7.526 137 HD11 LEU 24 1HD1 LEU 24 -5.869 -2.905 5.616 138 HD12 LEU 24 2HD1 LEU 24 -4.212 -3.178 5.079 139 HD13 LEU 24 3HD1 LEU 24 -4.765 -1.541 5.434 140 HD21 LEU 24 3HD2 LEU 24 -2.458 -2.155 6.494 141 HD22 LEU 24 1HD2 LEU 24 -2.544 -3.802 7.119 142 HD23 LEU 24 2HD2 LEU 24 -2.574 -2.435 8.232 143 H HIS 25 H HIS 25 -8.485 -2.647 7.116 144 HA HIS 25 HA HIS 25 -8.421 -5.172 8.549 145 HB2 HIS 25 1HB HIS 25 -10.571 -4.021 8.163 146 HB3 HIS 25 2HB HIS 25 -10.339 -4.188 6.425 147 HD1 HIS 25 1HD HIS 25 -12.455 -5.628 6.159 148 HD2 HIS 25 2HD HIS 25 -9.624 -7.253 8.729 149 HE1 HIS 25 1HE HIS 25 -13.185 -8.002 6.550 150 HE2 HIS 25 2HE HIS 25 -11.505 -8.939 8.175 151 H VAL 26 H VAL 26 -7.876 -7.122 7.711 152 HA VAL 26 HA VAL 26 -7.274 -7.323 4.852 153 HB VAL 26 HB VAL 26 -5.132 -8.433 5.284 154 HG11 VAL 26 1HG1 VAL 26 -5.695 -5.634 5.826 155 HG12 VAL 26 2HG1 VAL 26 -4.199 -6.184 6.583 156 HG13 VAL 26 3HG1 VAL 26 -4.426 -6.362 4.843 157 HG21 VAL 26 3HG2 VAL 26 -5.678 -7.701 8.158 158 HG22 VAL 26 1HG2 VAL 26 -5.507 -9.321 7.483 159 HG23 VAL 26 2HG2 VAL 26 -4.114 -8.242 7.548 160 H ARG 27 H ARG 27 -8.029 -9.154 4.008 161 HA ARG 27 HA ARG 27 -8.602 -11.396 5.833 162 HB2 ARG 27 1HB ARG 27 -10.249 -10.115 3.719 163 HB3 ARG 27 2HB ARG 27 -10.349 -11.865 3.858 164 HG2 ARG 27 1HG ARG 27 -10.714 -11.341 6.395 165 HG3 ARG 27 2HG ARG 27 -11.195 -9.758 5.781 166 HD2 ARG 27 1HD ARG 27 -13.183 -11.008 5.904 167 HD3 ARG 27 2HD ARG 27 -12.737 -11.008 4.198 168 HE ARG 27 HE ARG 27 -11.614 -13.284 5.235 169 HH11 ARG 27 1HH1 ARG 27 -14.824 -11.954 5.022 170 HH12 ARG 27 2HH1 ARG 27 -15.602 -13.501 4.968 171 HH21 ARG 27 1HH2 ARG 27 -12.627 -15.327 5.165 172 HH22 ARG 27 2HH2 ARG 27 -14.352 -15.419 5.050 173 HA PRO 28 HA PRO 28 -5.615 -13.265 3.020 174 HB2 PRO 28 1HB PRO 28 -5.189 -15.450 4.574 175 HB3 PRO 28 2HB PRO 28 -4.420 -13.888 4.881 176 HG2 PRO 28 1HG PRO 28 -6.828 -15.102 6.181 177 HG3 PRO 28 2HG PRO 28 -5.476 -14.229 6.925 178 HD2 PRO 28 1HD PRO 28 -7.870 -13.063 6.436 179 HD3 PRO 28 2HD PRO 28 -6.340 -12.165 6.372 180 H GLN 29 H GLN 29 -6.630 -14.040 1.254 181 HA GLN 29 HA GLN 29 -8.656 -16.125 1.550 182 HB2 GLN 29 1HB GLN 29 -7.809 -14.840 -1.036 183 HB3 GLN 29 2HB GLN 29 -9.330 -15.640 -0.662 184 HG2 GLN 29 1HG GLN 29 -8.467 -13.105 0.692 185 HG3 GLN 29 2HG GLN 29 -9.371 -13.117 -0.821 186 HE21 GLN 29 1HE2 GLN 29 -10.778 -11.844 0.751 187 HE22 GLN 29 2HE2 GLN 29 -11.985 -12.750 1.592 188 H THR 30 H THR 30 -8.507 -17.597 -0.652 189 HA THR 30 HA THR 30 -6.496 -19.459 -0.131 190 HB THR 30 HB THR 30 -7.626 -19.317 -2.888 191 HG1 THR 30 1HG THR 30 -9.109 -19.423 -0.522 192 HG21 THR 30 3HG2 THR 30 -7.075 -21.469 -0.858 193 HG22 THR 30 1HG2 THR 30 -6.332 -21.241 -2.440 194 HG23 THR 30 2HG2 THR 30 -8.010 -21.771 -2.322 195 H ASN 31 H ASN 31 -6.767 -17.655 -3.194 196 HA ASN 31 HA ASN 31 -3.824 -17.567 -3.284 197 HB2 ASN 31 1HB ASN 31 -5.792 -17.594 -5.584 198 HB3 ASN 31 2HB ASN 31 -4.040 -17.499 -5.742 199 HD21 ASN 31 1HD2 ASN 31 -3.039 -19.308 -4.137 200 HD22 ASN 31 2HD2 ASN 31 -3.623 -20.894 -4.496 201 H CYS 32 H CYS 32 -5.881 -15.644 -2.150 202 HA CYS 32 HA CYS 32 -4.657 -13.254 -3.238 203 HB2 CYS 32 1HB CYS 32 -7.664 -13.345 -3.137 204 HB3 CYS 32 2HB CYS 32 -6.630 -12.157 -3.920 205 HG CYS 32 HG CYS 32 -7.890 -14.979 -5.122 206 H ILE 33 H ILE 33 -5.596 -11.266 -2.020 207 HA ILE 33 HA ILE 33 -6.583 -11.823 0.637 208 HB ILE 33 HB ILE 33 -3.856 -10.561 0.343 209 HG12 ILE 33 1HG1 ILE 33 -4.668 -13.323 1.266 210 HG13 ILE 33 2HG1 ILE 33 -3.658 -12.921 -0.118 211 HG21 ILE 33 1HG2 ILE 33 -4.574 -11.494 2.973 212 HG22 ILE 33 2HG2 ILE 33 -4.058 -9.891 2.452 213 HG23 ILE 33 3HG2 ILE 33 -5.761 -10.340 2.366 214 HD11 ILE 33 3HD1 ILE 33 -1.827 -12.848 1.131 215 HD12 ILE 33 1HD1 ILE 33 -2.604 -11.844 2.355 216 HD13 ILE 33 2HD1 ILE 33 -2.790 -13.597 2.404 217 H ILE 34 H ILE 34 -8.203 -10.386 0.571 218 HA ILE 34 HA ILE 34 -7.854 -7.770 -0.615 219 HB ILE 34 HB ILE 34 -10.209 -9.059 0.763 220 HG12 ILE 34 1HG1 ILE 34 -11.175 -8.967 -1.535 221 HG13 ILE 34 2HG1 ILE 34 -9.631 -8.361 -2.125 222 HG21 ILE 34 1HG2 ILE 34 -10.989 -6.778 -0.726 223 HG22 ILE 34 2HG2 ILE 34 -11.143 -7.063 1.007 224 HG23 ILE 34 3HG2 ILE 34 -9.692 -6.294 0.366 225 HD11 ILE 34 3HD1 ILE 34 -10.076 -10.819 -2.445 226 HD12 ILE 34 1HD1 ILE 34 -8.549 -10.399 -1.669 227 HD13 ILE 34 2HD1 ILE 34 -9.900 -10.986 -0.698 228 H MET 35 H MET 35 -7.551 -5.882 0.424 229 HA MET 35 HA MET 35 -7.708 -5.868 3.360 230 HB2 MET 35 1HB MET 35 -5.676 -4.227 3.139 231 HB3 MET 35 2HB MET 35 -5.412 -5.966 3.151 232 HG2 MET 35 1HG MET 35 -5.246 -5.982 0.733 233 HG3 MET 35 2HG MET 35 -5.581 -4.253 0.683 234 HE1 MET 35 3HE MET 35 -3.487 -2.337 1.201 235 HE2 MET 35 1HE MET 35 -4.267 -2.886 2.685 236 HE3 MET 35 2HE MET 35 -2.507 -2.807 2.591 237 H SER 36 H SER 36 -8.779 -4.185 4.191 238 HA SER 36 HA SER 36 -9.276 -1.860 2.449 239 HB2 SER 36 1HB SER 36 -11.362 -2.932 2.482 240 HB3 SER 36 2HB SER 36 -11.190 -3.418 4.168 241 HG SER 36 HG SER 36 -12.042 -1.593 4.749 242 H TRP 37 H TRP 37 -8.416 -0.080 3.263 243 HA TRP 37 HA TRP 37 -8.162 0.153 6.189 244 HB2 TRP 37 1HB TRP 37 -6.272 1.680 5.760 245 HB3 TRP 37 2HB TRP 37 -5.996 0.084 5.068 246 HD1 TRP 37 HD TRP 37 -6.204 3.717 4.144 247 HE1 TRP 37 1HE TRP 37 -5.797 3.993 1.617 248 HE3 TRP 37 3HE TRP 37 -6.455 -1.192 2.741 249 HZ2 TRP 37 2HZ TRP 37 -5.608 2.347 -0.668 250 HZ3 TRP 37 3HZ TRP 37 -6.151 -1.757 0.365 251 HH2 TRP 37 HH TRP 37 -5.737 -0.022 -1.303 252 H THR 38 H THR 38 -7.775 2.708 6.645 253 HA THR 38 HA THR 38 -9.920 4.187 5.283 254 HB THR 38 HB THR 38 -10.125 5.169 7.813 255 HG1 THR 38 1HG THR 38 -9.844 3.596 9.272 256 HG21 THR 38 3HG2 THR 38 -11.859 4.245 6.116 257 HG22 THR 38 1HG2 THR 38 -12.255 4.238 7.834 258 HG23 THR 38 2HG2 THR 38 -11.722 2.753 7.046 259 HA PRO 39 HA PRO 39 -7.252 7.670 5.225 260 HB2 PRO 39 1HB PRO 39 -8.891 9.734 5.873 261 HB3 PRO 39 2HB PRO 39 -8.978 8.889 4.324 262 HG2 PRO 39 1HG PRO 39 -10.673 8.543 6.767 263 HG3 PRO 39 2HG PRO 39 -11.164 8.603 5.064 264 HD2 PRO 39 1HD PRO 39 -10.914 6.277 6.428 265 HD3 PRO 39 2HD PRO 39 -10.581 6.404 4.689 266 HA PRO 40 HA PRO 40 -5.661 8.785 9.170 267 HB2 PRO 40 1HB PRO 40 -4.864 11.354 8.805 268 HB3 PRO 40 2HB PRO 40 -4.024 9.976 8.084 269 HG2 PRO 40 1HG PRO 40 -6.015 11.838 6.848 270 HG3 PRO 40 2HG PRO 40 -4.505 11.205 6.169 271 HD2 PRO 40 1HD PRO 40 -6.930 10.182 5.532 272 HD3 PRO 40 2HD PRO 40 -5.461 9.187 5.596 273 H LEU 41 H LEU 41 -6.567 9.312 11.058 274 HA LEU 41 HA LEU 41 -9.065 10.308 11.438 275 HB2 LEU 41 1HB LEU 41 -6.639 10.506 13.199 276 HB3 LEU 41 2HB LEU 41 -8.233 11.040 13.729 277 HG LEU 41 HG LEU 41 -7.794 8.237 12.758 278 HD11 LEU 41 1HD1 LEU 41 -7.209 9.353 15.489 279 HD12 LEU 41 2HD1 LEU 41 -6.142 8.420 14.440 280 HD13 LEU 41 3HD1 LEU 41 -7.535 7.645 15.193 281 HD21 LEU 41 3HD2 LEU 41 -10.089 9.177 13.069 282 HD22 LEU 41 1HD2 LEU 41 -9.717 9.370 14.782 283 HD23 LEU 41 2HD2 LEU 41 -9.739 7.761 14.060 284 H ASN 42 H ASN 42 -6.255 12.093 10.581 285 HA ASN 42 HA ASN 42 -7.564 14.642 11.208 286 HB2 ASN 42 1HB ASN 42 -5.025 13.942 11.699 287 HB3 ASN 42 2HB ASN 42 -4.818 14.575 10.068 288 HD21 ASN 42 1HD2 ASN 42 -4.966 16.737 9.708 289 HD22 ASN 42 2HD2 ASN 42 -5.137 17.907 10.969 290 HA PRO 43 HA PRO 43 -8.639 14.425 6.804 291 HB2 PRO 43 1HB PRO 43 -10.647 16.242 6.994 292 HB3 PRO 43 2HB PRO 43 -10.850 14.539 7.419 293 HG2 PRO 43 1HG PRO 43 -10.367 16.892 9.206 294 HG3 PRO 43 2HG PRO 43 -11.488 15.534 9.421 295 HD2 PRO 43 1HD PRO 43 -9.096 15.663 10.684 296 HD3 PRO 43 2HD PRO 43 -9.833 14.126 10.188 297 H ASN 44 H ASN 44 -7.118 16.689 8.686 298 HA ASN 44 HA ASN 44 -7.174 18.825 6.699 299 HB2 ASN 44 1HB ASN 44 -5.710 18.730 9.345 300 HB3 ASN 44 2HB ASN 44 -5.970 20.151 8.336 301 HD21 ASN 44 1HD2 ASN 44 -7.686 17.642 10.135 302 HD22 ASN 44 2HD2 ASN 44 -9.029 18.633 10.580 303 H ILE 45 H ILE 45 -5.690 16.038 6.730 304 HA ILE 45 HA ILE 45 -3.048 17.087 5.964 305 HB ILE 45 HB ILE 45 -3.813 14.264 6.718 306 HG12 ILE 45 1HG1 ILE 45 -3.830 15.626 8.686 307 HG13 ILE 45 2HG1 ILE 45 -2.312 14.736 8.689 308 HG21 ILE 45 1HG2 ILE 45 -1.010 14.746 6.794 309 HG22 ILE 45 2HG2 ILE 45 -1.907 13.601 5.798 310 HG23 ILE 45 3HG2 ILE 45 -1.623 15.242 5.217 311 HD11 ILE 45 3HD1 ILE 45 -1.177 16.731 7.804 312 HD12 ILE 45 1HD1 ILE 45 -2.701 17.613 7.902 313 HD13 ILE 45 2HD1 ILE 45 -1.934 17.009 9.372 314 H VAL 46 H VAL 46 -2.225 16.702 3.961 315 HA VAL 46 HA VAL 46 -4.081 15.954 1.897 316 HB VAL 46 HB VAL 46 -1.141 16.629 1.715 317 HG11 VAL 46 1HG1 VAL 46 -1.347 16.711 -0.609 318 HG12 VAL 46 2HG1 VAL 46 -2.215 15.242 -0.160 319 HG13 VAL 46 3HG1 VAL 46 -3.109 16.713 -0.546 320 HG21 VAL 46 3HG2 VAL 46 -2.072 18.611 2.397 321 HG22 VAL 46 1HG2 VAL 46 -2.282 18.746 0.651 322 HG23 VAL 46 2HG2 VAL 46 -3.637 18.254 1.667 323 H VAL 47 H VAL 47 -4.118 14.130 0.669 324 HA VAL 47 HA VAL 47 -2.118 12.050 1.241 325 HB VAL 47 HB VAL 47 -5.111 11.668 1.124 326 HG11 VAL 47 1HG1 VAL 47 -3.045 9.509 1.475 327 HG12 VAL 47 2HG1 VAL 47 -4.782 9.326 1.226 328 HG13 VAL 47 3HG1 VAL 47 -3.758 9.910 -0.086 329 HG21 VAL 47 3HG2 VAL 47 -3.153 11.898 3.272 330 HG22 VAL 47 1HG2 VAL 47 -4.910 12.033 3.321 331 HG23 VAL 47 2HG2 VAL 47 -4.145 10.445 3.389 332 H ARG 48 H ARG 48 -1.196 11.297 -0.543 333 HA ARG 48 HA ARG 48 -2.536 11.759 -3.117 334 HB2 ARG 48 1HB ARG 48 0.365 11.039 -2.747 335 HB3 ARG 48 2HB ARG 48 -0.405 11.781 -4.144 336 HG2 ARG 48 1HG ARG 48 0.012 13.073 -1.456 337 HG3 ARG 48 2HG ARG 48 0.934 13.395 -2.926 338 HD2 ARG 48 1HD ARG 48 -1.977 13.657 -3.207 339 HD3 ARG 48 2HD ARG 48 -1.233 14.819 -2.110 340 HE ARG 48 HE ARG 48 -0.138 15.788 -3.903 341 HH11 ARG 48 1HH1 ARG 48 -1.762 12.872 -4.894 342 HH12 ARG 48 2HH1 ARG 48 -1.572 13.187 -6.587 343 HH21 ARG 48 1HH2 ARG 48 0.118 16.213 -6.129 344 HH22 ARG 48 2HH2 ARG 48 -0.502 15.086 -7.289 345 H GLY 49 H GLY 49 -2.061 9.354 -0.907 346 HA2 GLY 49 1HA GLY 49 -3.219 7.277 -2.094 347 HA3 GLY 49 2HA GLY 49 -1.625 7.208 -2.832 348 H TYR 50 H TYR 50 -1.637 5.050 -1.798 349 HA TYR 50 HA TYR 50 -0.293 5.209 0.768 350 HB2 TYR 50 1HB TYR 50 -2.374 3.108 0.699 351 HB3 TYR 50 2HB TYR 50 -1.799 4.082 2.047 352 HD1 TYR 50 2HD TYR 50 -4.105 3.993 -0.823 353 HD2 TYR 50 1HD TYR 50 -2.880 6.136 2.642 354 HE1 TYR 50 2HE TYR 50 -6.123 5.389 -0.981 355 HE2 TYR 50 1HE TYR 50 -4.896 7.538 2.495 356 HH TYR 50 HH TYR 50 -7.358 7.109 1.381 357 H ILE 51 H ILE 51 1.330 3.783 0.885 358 HA ILE 51 HA ILE 51 1.728 1.963 -1.336 359 HB ILE 51 HB ILE 51 3.509 2.533 1.037 360 HG12 ILE 51 1HG1 ILE 51 3.948 3.479 -1.784 361 HG13 ILE 51 2HG1 ILE 51 2.959 4.410 -0.665 362 HG21 ILE 51 1HG2 ILE 51 4.630 1.460 -1.465 363 HG22 ILE 51 2HG2 ILE 51 5.040 1.101 0.211 364 HG23 ILE 51 3HG2 ILE 51 3.631 0.346 -0.533 365 HD11 ILE 51 3HD1 ILE 51 5.838 3.642 -0.243 366 HD12 ILE 51 1HD1 ILE 51 5.250 5.227 -0.744 367 HD13 ILE 51 2HD1 ILE 51 4.847 4.601 0.856 368 H ILE 52 H ILE 52 1.420 -0.172 -1.300 369 HA ILE 52 HA ILE 52 0.706 -1.414 1.270 370 HB ILE 52 HB ILE 52 0.052 -2.404 -1.507 371 HG12 ILE 52 1HG1 ILE 52 -1.909 -1.210 0.438 372 HG13 ILE 52 2HG1 ILE 52 -1.025 -0.196 -0.697 373 HG21 ILE 52 1HG2 ILE 52 -1.277 -4.050 -0.491 374 HG22 ILE 52 2HG2 ILE 52 0.227 -4.051 0.427 375 HG23 ILE 52 3HG2 ILE 52 -1.205 -3.258 1.083 376 HD11 ILE 52 3HD1 ILE 52 -3.270 -2.018 -1.144 377 HD12 ILE 52 1HD1 ILE 52 -2.783 -0.570 -2.024 378 HD13 ILE 52 2HD1 ILE 52 -1.987 -2.110 -2.351 379 H GLY 53 H GLY 53 2.537 -2.260 2.098 380 HA2 GLY 53 1HA GLY 53 4.334 -3.754 0.320 381 HA3 GLY 53 2HA GLY 53 4.721 -3.199 1.942 382 H TYR 54 H TYR 54 3.282 -5.705 0.033 383 HA TYR 54 HA TYR 54 2.835 -7.295 2.472 384 HB2 TYR 54 1HB TYR 54 1.255 -8.634 1.166 385 HB3 TYR 54 2HB TYR 54 0.799 -6.934 1.146 386 HD1 TYR 54 1HD TYR 54 1.625 -5.558 -0.911 387 HD2 TYR 54 2HD TYR 54 1.377 -9.805 -0.834 388 HE1 TYR 54 1HE TYR 54 1.579 -5.594 -3.370 389 HE2 TYR 54 2HE TYR 54 1.332 -9.853 -3.292 390 HH TYR 54 HH TYR 54 2.029 -8.426 -5.175 391 H GLY 55 H GLY 55 3.281 -9.621 2.286 392 HA2 GLY 55 1HA GLY 55 4.609 -10.935 0.288 393 HA3 GLY 55 2HA GLY 55 5.873 -10.051 1.129 394 H VAL 56 H VAL 56 5.077 -12.994 0.857 395 HA VAL 56 HA VAL 56 4.268 -13.950 3.376 396 HB VAL 56 HB VAL 56 4.245 -15.322 1.319 397 HG11 VAL 56 1HG1 VAL 56 7.194 -15.742 1.682 398 HG12 VAL 56 2HG1 VAL 56 6.173 -16.169 0.307 399 HG13 VAL 56 3HG1 VAL 56 6.567 -14.479 0.623 400 HG21 VAL 56 3HG2 VAL 56 3.982 -16.761 3.046 401 HG22 VAL 56 1HG2 VAL 56 5.571 -17.322 2.523 402 HG23 VAL 56 2HG2 VAL 56 5.433 -16.201 3.877 403 H GLY 57 H GLY 57 5.294 -13.935 5.261 404 HA2 GLY 57 1HA GLY 57 7.034 -14.245 6.771 405 HA3 GLY 57 2HA GLY 57 8.133 -14.461 5.417 406 H SER 58 H SER 58 7.211 -11.913 4.188 407 HA SER 58 HA SER 58 7.985 -9.862 6.069 408 HB2 SER 58 1HB SER 58 9.718 -10.119 3.627 409 HB3 SER 58 2HB SER 58 10.024 -9.219 5.112 410 HG SER 58 HG SER 58 11.246 -10.997 5.333 411 HA PRO 59 HA PRO 59 5.192 -7.711 3.395 412 HB2 PRO 59 1HB PRO 59 5.510 -5.246 4.486 413 HB3 PRO 59 2HB PRO 59 4.574 -6.527 5.265 414 HG2 PRO 59 1HG PRO 59 7.385 -5.646 5.796 415 HG3 PRO 59 2HG PRO 59 6.106 -6.063 6.951 416 HD2 PRO 59 1HD PRO 59 8.091 -7.782 6.291 417 HD3 PRO 59 2HD PRO 59 6.455 -8.329 6.711 418 H TYR 60 H TYR 60 8.330 -7.868 2.982 419 HA TYR 60 HA TYR 60 8.506 -5.528 1.202 420 HB2 TYR 60 1HB TYR 60 10.887 -7.128 2.090 421 HB3 TYR 60 2HB TYR 60 10.823 -5.462 1.528 422 HD1 TYR 60 1HD TYR 60 9.003 -4.067 3.133 423 HD2 TYR 60 2HD TYR 60 11.531 -7.287 4.291 424 HE1 TYR 60 1HE TYR 60 8.928 -3.281 5.463 425 HE2 TYR 60 2HE TYR 60 11.462 -6.511 6.623 426 HH TYR 60 HH TYR 60 9.756 -5.089 8.041 427 H ALA 61 H ALA 61 7.403 -8.366 0.824 428 HA ALA 61 HA ALA 61 9.147 -9.442 -1.228 429 HB1 ALA 61 3HB ALA 61 6.398 -10.488 -0.748 430 HB2 ALA 61 1HB ALA 61 7.881 -11.354 -1.152 431 HB3 ALA 61 2HB ALA 61 7.637 -10.734 0.482 432 H GLU 62 H GLU 62 6.159 -7.630 -0.989 433 HA GLU 62 HA GLU 62 6.311 -7.027 -3.827 434 HB2 GLU 62 1HB GLU 62 3.996 -8.466 -2.553 435 HB3 GLU 62 2HB GLU 62 3.780 -7.479 -3.992 436 HG2 GLU 62 1HG GLU 62 5.711 -9.776 -3.794 437 HG3 GLU 62 2HG GLU 62 4.076 -9.901 -4.442 438 H THR 63 H THR 63 6.153 -4.901 -3.981 439 HA THR 63 HA THR 63 4.605 -3.442 -1.949 440 HB THR 63 HB THR 63 6.006 -1.497 -3.243 441 HG1 THR 63 1HG THR 63 7.816 -3.678 -3.030 442 HG21 THR 63 3HG2 THR 63 6.488 -3.114 -0.789 443 HG22 THR 63 1HG2 THR 63 6.111 -1.400 -0.953 444 HG23 THR 63 2HG2 THR 63 7.738 -1.982 -1.304 445 H VAL 64 H VAL 64 2.883 -2.247 -2.513 446 HA VAL 64 HA VAL 64 2.491 -1.430 -5.277 447 HB VAL 64 HB VAL 64 0.672 -3.359 -3.857 448 HG11 VAL 64 1HG1 VAL 64 -0.909 -1.800 -4.520 449 HG12 VAL 64 2HG1 VAL 64 -0.006 -1.346 -5.966 450 HG13 VAL 64 3HG1 VAL 64 -0.850 -2.894 -5.901 451 HG21 VAL 64 3HG2 VAL 64 2.263 -4.447 -5.232 452 HG22 VAL 64 1HG2 VAL 64 0.752 -4.437 -6.142 453 HG23 VAL 64 2HG2 VAL 64 2.030 -3.289 -6.543 454 H ARG 65 H ARG 65 2.112 0.673 -5.067 455 HA ARG 65 HA ARG 65 0.538 1.623 -2.779 456 HB2 ARG 65 1HB ARG 65 1.738 3.552 -2.823 457 HB3 ARG 65 2HB ARG 65 2.914 2.529 -3.637 458 HG2 ARG 65 1HG ARG 65 1.808 3.290 -5.810 459 HG3 ARG 65 2HG ARG 65 1.044 4.543 -4.829 460 HD2 ARG 65 1HD ARG 65 3.269 5.290 -4.090 461 HD3 ARG 65 2HD ARG 65 4.007 4.065 -5.120 462 HE ARG 65 HE ARG 65 2.244 5.920 -6.470 463 HH11 ARG 65 1HH1 ARG 65 5.505 5.166 -5.511 464 HH12 ARG 65 2HH1 ARG 65 6.232 6.169 -6.722 465 HH21 ARG 65 1HH2 ARG 65 3.189 7.244 -8.069 466 HH22 ARG 65 2HH2 ARG 65 4.913 7.351 -8.176 467 H VAL 66 H VAL 66 -1.462 2.381 -3.038 468 HA VAL 66 HA VAL 66 -2.523 2.591 -5.758 469 HB VAL 66 HB VAL 66 -4.753 2.687 -4.591 470 HG11 VAL 66 1HG1 VAL 66 -4.325 0.611 -5.479 471 HG12 VAL 66 2HG1 VAL 66 -2.897 0.355 -4.474 472 HG13 VAL 66 3HG1 VAL 66 -4.509 0.214 -3.771 473 HG21 VAL 66 3HG2 VAL 66 -4.840 2.989 -2.392 474 HG22 VAL 66 1HG2 VAL 66 -3.980 1.469 -2.149 475 HG23 VAL 66 2HG2 VAL 66 -3.079 2.976 -2.313 476 H ASP 67 H ASP 67 -4.573 4.262 -5.599 477 HA ASP 67 HA ASP 67 -3.289 6.843 -5.362 478 HB2 ASP 67 1HB ASP 67 -6.141 6.256 -6.168 479 HB3 ASP 67 2HB ASP 67 -5.224 7.726 -6.484 480 H SER 68 H SER 68 -4.836 8.664 -4.502 481 HA SER 68 HA SER 68 -5.255 8.062 -1.712 482 HB2 SER 68 1HB SER 68 -4.250 10.170 -2.121 483 HB3 SER 68 2HB SER 68 -5.442 10.589 -3.350 484 HG SER 68 HG SER 68 -5.533 10.964 -0.671 485 H LYS 69 H LYS 69 -7.037 6.940 -3.861 486 HA LYS 69 HA LYS 69 -9.594 7.891 -2.747 487 HB2 LYS 69 1HB LYS 69 -9.526 8.594 -5.032 488 HB3 LYS 69 2HB LYS 69 -8.944 7.021 -5.563 489 HG2 LYS 69 1HG LYS 69 -11.009 6.068 -5.473 490 HG3 LYS 69 2HG LYS 69 -11.565 7.130 -4.177 491 HD2 LYS 69 1HD LYS 69 -11.027 8.152 -6.952 492 HD3 LYS 69 2HD LYS 69 -12.588 7.465 -6.496 493 HE2 LYS 69 1HE LYS 69 -13.012 9.163 -4.947 494 HE3 LYS 69 2HE LYS 69 -11.320 9.652 -4.883 495 HZ1 LYS 69 3HZ LYS 69 -12.894 11.134 -6.170 496 HZ2 LYS 69 1HZ LYS 69 -12.933 9.921 -7.348 497 HZ3 LYS 69 2HZ LYS 69 -11.471 10.679 -6.964 498 H GLN 70 H GLN 70 -7.692 5.167 -3.879 499 HA GLN 70 HA GLN 70 -9.620 3.151 -3.568 500 HB2 GLN 70 1HB GLN 70 -6.670 2.768 -3.087 501 HB3 GLN 70 2HB GLN 70 -7.830 1.599 -3.706 502 HG2 GLN 70 1HG GLN 70 -6.741 4.020 -5.115 503 HG3 GLN 70 2HG GLN 70 -6.469 2.325 -5.515 504 HE21 GLN 70 1HE2 GLN 70 -9.140 4.617 -5.067 505 HE22 GLN 70 2HE2 GLN 70 -10.084 4.041 -6.394 506 H ARG 71 H ARG 71 -10.551 2.333 -1.819 507 HA ARG 71 HA ARG 71 -9.393 2.953 0.806 508 HB2 ARG 71 1HB ARG 71 -11.597 3.729 0.769 509 HB3 ARG 71 2HB ARG 71 -12.174 2.336 -0.136 510 HG2 ARG 71 1HG ARG 71 -12.237 0.978 1.738 511 HG3 ARG 71 2HG ARG 71 -11.111 1.998 2.636 512 HD2 ARG 71 1HD ARG 71 -13.185 2.435 3.617 513 HD3 ARG 71 2HD ARG 71 -12.933 3.791 2.518 514 HE ARG 71 HE ARG 71 -14.418 1.605 1.374 515 HH11 ARG 71 1HH1 ARG 71 -14.595 4.563 3.201 516 HH12 ARG 71 2HH1 ARG 71 -16.247 4.875 2.784 517 HH21 ARG 71 1HH2 ARG 71 -16.594 2.004 0.818 518 HH22 ARG 71 2HH2 ARG 71 -17.383 3.418 1.429 519 H TYR 72 H TYR 72 -9.256 0.533 -1.349 520 HA TYR 72 HA TYR 72 -8.354 -1.381 0.542 521 HB2 TYR 72 1HB TYR 72 -10.040 -2.956 0.588 522 HB3 TYR 72 2HB TYR 72 -10.987 -1.473 0.547 523 HD1 TYR 72 1HD TYR 72 -12.160 -0.802 -1.500 524 HD2 TYR 72 2HD TYR 72 -10.013 -4.469 -1.286 525 HE1 TYR 72 1HE TYR 72 -13.315 -1.589 -3.524 526 HE2 TYR 72 2HE TYR 72 -11.162 -5.266 -3.309 527 HH TYR 72 HH TYR 72 -12.465 -3.637 -5.448 528 H TYR 73 H TYR 73 -7.263 -3.100 -0.424 529 HA TYR 73 HA TYR 73 -7.174 -3.089 -3.365 530 HB2 TYR 73 1HB TYR 73 -5.223 -1.873 -2.321 531 HB3 TYR 73 2HB TYR 73 -4.739 -3.406 -1.603 532 HD1 TYR 73 2HD TYR 73 -3.839 -5.197 -2.982 533 HD2 TYR 73 1HD TYR 73 -4.985 -1.480 -4.705 534 HE1 TYR 73 2HE TYR 73 -2.610 -5.775 -5.033 535 HE2 TYR 73 1HE TYR 73 -3.761 -2.048 -6.761 536 HH TYR 73 HH TYR 73 -1.980 -3.486 -7.505 537 H SER 74 H SER 74 -7.379 -5.035 -4.264 538 HA SER 74 HA SER 74 -7.424 -7.373 -2.516 539 HB2 SER 74 1HB SER 74 -8.239 -7.173 -5.424 540 HB3 SER 74 2HB SER 74 -8.594 -8.496 -4.314 541 HG SER 74 HG SER 74 -10.371 -7.383 -4.035 542 H ILE 75 H ILE 75 -5.352 -8.030 -2.206 543 HA ILE 75 HA ILE 75 -3.411 -8.100 -4.309 544 HB ILE 75 HB ILE 75 -3.297 -9.471 -1.621 545 HG12 ILE 75 1HG1 ILE 75 -2.269 -6.741 -2.426 546 HG13 ILE 75 2HG1 ILE 75 -3.691 -7.033 -1.430 547 HG21 ILE 75 1HG2 ILE 75 -1.691 -10.243 -3.371 548 HG22 ILE 75 2HG2 ILE 75 -1.043 -8.605 -3.421 549 HG23 ILE 75 3HG2 ILE 75 -0.930 -9.553 -1.939 550 HD11 ILE 75 3HD1 ILE 75 -2.226 -6.701 0.238 551 HD12 ILE 75 1HD1 ILE 75 -1.862 -8.405 -0.030 552 HD13 ILE 75 2HD1 ILE 75 -0.835 -7.161 -0.743 553 H GLU 76 H GLU 76 -3.610 -9.492 -5.939 554 HA GLU 76 HA GLU 76 -4.490 -12.238 -5.341 555 HB2 GLU 76 1HB GLU 76 -4.521 -10.812 -8.006 556 HB3 GLU 76 2HB GLU 76 -5.174 -12.408 -7.668 557 HG2 GLU 76 1HG GLU 76 -6.595 -11.077 -5.895 558 HG3 GLU 76 2HG GLU 76 -6.251 -9.730 -6.979 559 H ARG 77 H ARG 77 -3.609 -13.761 -7.228 560 HA ARG 77 HA ARG 77 -1.824 -14.848 -8.132 561 HB2 ARG 77 1HB ARG 77 -0.375 -12.201 -7.963 562 HB3 ARG 77 2HB ARG 77 0.051 -13.576 -8.973 563 HG2 ARG 77 1HG ARG 77 -2.516 -12.030 -9.236 564 HG3 ARG 77 2HG ARG 77 -1.060 -11.710 -10.181 565 HD2 ARG 77 1HD ARG 77 -2.197 -14.470 -10.101 566 HD3 ARG 77 2HD ARG 77 -2.943 -13.252 -11.134 567 HE ARG 77 HE ARG 77 -0.384 -14.529 -11.516 568 HH11 ARG 77 1HH1 ARG 77 -2.412 -11.813 -12.310 569 HH12 ARG 77 2HH1 ARG 77 -1.584 -11.461 -13.790 570 HH21 ARG 77 1HH2 ARG 77 0.714 -14.075 -13.463 571 HH22 ARG 77 2HH2 ARG 77 0.193 -12.749 -14.446 572 H LEU 78 H LEU 78 -2.229 -14.927 -5.354 573 HA LEU 78 HA LEU 78 0.525 -15.006 -4.313 574 HB2 LEU 78 1HB LEU 78 -2.027 -14.966 -2.715 575 HB3 LEU 78 2HB LEU 78 -0.382 -14.799 -2.104 576 HG LEU 78 HG LEU 78 -1.747 -12.793 -3.896 577 HD11 LEU 78 1HD1 LEU 78 -1.912 -13.243 -1.025 578 HD12 LEU 78 2HD1 LEU 78 -2.900 -12.226 -2.074 579 HD13 LEU 78 3HD1 LEU 78 -1.369 -11.617 -1.443 580 HD21 LEU 78 3HD2 LEU 78 0.178 -11.401 -2.783 581 HD22 LEU 78 1HD2 LEU 78 0.491 -12.396 -4.205 582 HD23 LEU 78 2HD2 LEU 78 0.931 -12.986 -2.602 583 H GLU 79 H GLU 79 0.577 -16.694 -2.372 584 HA GLU 79 HA GLU 79 -0.173 -19.247 -3.585 585 HB2 GLU 79 1HB GLU 79 1.430 -20.249 -2.049 586 HB3 GLU 79 2HB GLU 79 2.175 -18.923 -2.931 587 HG2 GLU 79 1HG GLU 79 1.504 -17.519 -0.847 588 HG3 GLU 79 2HG GLU 79 1.413 -19.090 -0.054 589 H SER 80 H SER 80 -0.431 -20.986 -1.637 590 HA SER 80 HA SER 80 -2.526 -19.930 0.145 591 HB2 SER 80 1HB SER 80 -2.578 -22.302 -1.678 592 HB3 SER 80 2HB SER 80 -3.475 -22.374 -0.162 593 HG SER 80 HG SER 80 -4.884 -21.008 -0.934 594 H SER 81 H SER 81 -2.559 -20.684 2.218 595 HA SER 81 HA SER 81 -1.901 -21.774 4.115 596 HB2 SER 81 1HB SER 81 -1.960 -23.823 2.585 597 HB3 SER 81 2HB SER 81 -0.217 -23.615 2.417 598 HG SER 81 HG SER 81 -1.626 -24.690 4.458 599 H SER 82 H SER 82 -0.639 -19.478 3.461 600 HA SER 82 HA SER 82 1.965 -19.868 4.674 601 HB2 SER 82 1HB SER 82 1.953 -18.175 2.207 602 HB3 SER 82 2HB SER 82 3.291 -19.036 2.968 603 HG SER 82 HG SER 82 2.309 -20.992 2.235 604 H HIS 83 H HIS 83 2.556 -18.184 5.941 605 HA HIS 83 HA HIS 83 0.618 -16.173 6.507 606 HB2 HIS 83 1HB HIS 83 1.914 -16.967 8.338 607 HB3 HIS 83 2HB HIS 83 3.428 -16.655 7.494 608 HD1 HIS 83 1HD HIS 83 4.279 -15.149 9.411 609 HD2 HIS 83 2HD HIS 83 0.770 -13.812 7.634 610 HE1 HIS 83 1HE HIS 83 3.965 -12.793 10.231 611 HE2 HIS 83 2HE HIS 83 1.791 -12.035 9.211 612 H TYR 84 H TYR 84 0.447 -14.151 5.766 613 HA TYR 84 HA TYR 84 2.678 -13.066 4.175 614 HB2 TYR 84 1HB TYR 84 -0.204 -13.325 3.534 615 HB3 TYR 84 2HB TYR 84 0.561 -11.807 3.076 616 HD1 TYR 84 1HD TYR 84 1.147 -15.490 2.832 617 HD2 TYR 84 2HD TYR 84 1.576 -11.672 1.005 618 HE1 TYR 84 1HE TYR 84 2.057 -16.565 0.816 619 HE2 TYR 84 2HE TYR 84 2.486 -12.736 -1.017 620 HH TYR 84 HH TYR 84 2.164 -15.870 -1.751 621 H VAL 85 H VAL 85 3.509 -11.304 5.056 622 HA VAL 85 HA VAL 85 2.024 -9.818 7.058 623 HB VAL 85 HB VAL 85 4.794 -9.171 6.069 624 HG11 VAL 85 1HG1 VAL 85 3.952 -7.456 7.448 625 HG12 VAL 85 2HG1 VAL 85 3.246 -8.607 8.584 626 HG13 VAL 85 3HG1 VAL 85 4.998 -8.424 8.487 627 HG21 VAL 85 3HG2 VAL 85 5.622 -10.599 7.932 628 HG22 VAL 85 1HG2 VAL 85 3.980 -11.211 8.135 629 HG23 VAL 85 2HG2 VAL 85 4.852 -11.506 6.630 630 H ILE 86 H ILE 86 0.763 -8.174 6.521 631 HA ILE 86 HA ILE 86 1.327 -6.694 4.045 632 HB ILE 86 HB ILE 86 -1.227 -6.657 5.650 633 HG12 ILE 86 1HG1 ILE 86 -0.986 -8.100 3.047 634 HG13 ILE 86 2HG1 ILE 86 -0.385 -8.892 4.499 635 HG21 ILE 86 1HG2 ILE 86 -0.263 -5.295 3.246 636 HG22 ILE 86 2HG2 ILE 86 -1.852 -6.038 3.071 637 HG23 ILE 86 3HG2 ILE 86 -1.566 -4.861 4.352 638 HD11 ILE 86 3HD1 ILE 86 -3.181 -8.066 3.832 639 HD12 ILE 86 1HD1 ILE 86 -2.568 -9.657 4.280 640 HD13 ILE 86 2HD1 ILE 86 -2.684 -8.382 5.494 641 H SER 87 H SER 87 2.116 -4.706 4.170 642 HA SER 87 HA SER 87 1.678 -3.166 6.643 643 HB2 SER 87 1HB SER 87 3.930 -2.272 6.483 644 HB3 SER 87 2HB SER 87 4.009 -4.034 6.491 645 HG SER 87 HG SER 87 3.829 -2.798 4.008 646 H LEU 88 H LEU 88 0.159 -1.746 5.989 647 HA LEU 88 HA LEU 88 0.519 -0.354 3.437 648 HB2 LEU 88 1HB LEU 88 -1.661 -1.140 3.579 649 HB3 LEU 88 2HB LEU 88 -1.792 -0.753 5.293 650 HG LEU 88 HG LEU 88 -1.630 1.720 4.429 651 HD11 LEU 88 1HD1 LEU 88 -2.951 1.812 2.232 652 HD12 LEU 88 2HD1 LEU 88 -2.400 0.154 1.993 653 HD13 LEU 88 3HD1 LEU 88 -1.225 1.459 2.150 654 HD21 LEU 88 3HD2 LEU 88 -4.189 0.219 3.951 655 HD22 LEU 88 1HD2 LEU 88 -3.975 1.867 4.541 656 HD23 LEU 88 2HD2 LEU 88 -3.546 0.500 5.569 657 H LYS 89 H LYS 89 1.118 1.719 3.316 658 HA LYS 89 HA LYS 89 0.958 3.397 5.715 659 HB2 LYS 89 1HB LYS 89 3.205 4.101 5.589 660 HB3 LYS 89 2HB LYS 89 3.267 2.352 5.421 661 HG2 LYS 89 1HG LYS 89 3.650 2.501 3.086 662 HG3 LYS 89 2HG LYS 89 3.286 4.228 3.072 663 HD2 LYS 89 1HD LYS 89 5.580 4.284 3.056 664 HD3 LYS 89 2HD LYS 89 5.271 4.330 4.794 665 HE2 LYS 89 1HE LYS 89 5.482 1.804 4.752 666 HE3 LYS 89 2HE LYS 89 6.105 1.978 3.112 667 HZ1 LYS 89 3HZ LYS 89 8.086 2.503 3.914 668 HZ2 LYS 89 1HZ LYS 89 7.525 2.179 5.476 669 HZ3 LYS 89 2HZ LYS 89 7.446 3.751 4.859 670 H ALA 90 H ALA 90 0.613 5.561 5.335 671 HA ALA 90 HA ALA 90 -0.400 6.233 2.722 672 HB1 ALA 90 3HB ALA 90 -1.519 6.954 4.811 673 HB2 ALA 90 1HB ALA 90 -0.139 7.997 5.153 674 HB3 ALA 90 2HB ALA 90 -1.137 8.293 3.729 675 H PHE 91 H PHE 91 0.346 7.876 1.363 676 HA PHE 91 HA PHE 91 2.985 9.005 1.957 677 HB2 PHE 91 1HB PHE 91 3.897 8.381 -0.158 678 HB3 PHE 91 2HB PHE 91 3.205 6.922 0.542 679 HD1 PHE 91 1HD PHE 91 2.656 9.584 -1.956 680 HD2 PHE 91 2HD PHE 91 1.480 5.744 -0.545 681 HE1 PHE 91 1HE PHE 91 1.315 9.251 -3.992 682 HE2 PHE 91 2HE PHE 91 0.138 5.405 -2.579 683 HZ PHE 91 HZ PHE 91 0.054 7.158 -4.306 684 H ASN 92 H ASN 92 3.565 10.784 0.449 685 HA ASN 92 HA ASN 92 1.608 11.996 -1.204 686 HB2 ASN 92 1HB ASN 92 0.926 13.856 0.119 687 HB3 ASN 92 2HB ASN 92 0.661 12.422 1.106 688 HD21 ASN 92 1HD2 ASN 92 0.679 14.505 2.565 689 HD22 ASN 92 2HD2 ASN 92 2.182 14.784 3.371 690 H ASN 93 H ASN 93 2.294 14.556 -1.314 691 HA ASN 93 HA ASN 93 4.692 14.644 -2.658 692 HB2 ASN 93 1HB ASN 93 2.942 16.700 -1.401 693 HB3 ASN 93 2HB ASN 93 4.558 17.200 -1.891 694 HD21 ASN 93 1HD2 ASN 93 1.398 16.563 -2.891 695 HD22 ASN 93 2HD2 ASN 93 1.642 16.724 -4.594 696 H ALA 94 H ALA 94 4.121 14.791 0.758 697 HA ALA 94 HA ALA 94 6.723 15.825 1.426 698 HB1 ALA 94 3HB ALA 94 4.722 14.474 3.230 699 HB2 ALA 94 1HB ALA 94 6.083 15.484 3.719 700 HB3 ALA 94 2HB ALA 94 4.725 16.195 2.846 701 H GLY 95 H GLY 95 5.294 12.701 0.910 702 HA2 GLY 95 1HA GLY 95 7.124 11.041 0.311 703 HA3 GLY 95 2HA GLY 95 7.756 11.413 1.908 704 H GLU 96 H GLU 96 7.436 9.702 3.166 705 HA GLU 96 HA GLU 96 4.790 8.405 3.088 706 HB2 GLU 96 1HB GLU 96 7.363 7.091 3.959 707 HB3 GLU 96 2HB GLU 96 5.811 6.319 3.660 708 HG2 GLU 96 1HG GLU 96 5.996 6.634 1.326 709 HG3 GLU 96 2HG GLU 96 7.367 7.726 1.512 710 H GLY 97 H GLY 97 3.837 7.799 5.052 711 HA2 GLY 97 1HA GLY 97 5.010 9.134 7.413 712 HA3 GLY 97 2HA GLY 97 3.283 9.005 7.117 713 H VAL 98 H VAL 98 3.982 8.216 9.511 714 HA VAL 98 HA VAL 98 5.017 5.864 10.213 715 HB VAL 98 HB VAL 98 3.835 7.229 11.826 716 HG11 VAL 98 1HG1 VAL 98 1.698 7.866 11.655 717 HG12 VAL 98 2HG1 VAL 98 1.796 7.282 9.992 718 HG13 VAL 98 3HG1 VAL 98 1.150 6.237 11.258 719 HG21 VAL 98 3HG2 VAL 98 2.615 5.433 13.057 720 HG22 VAL 98 1HG2 VAL 98 2.784 4.411 11.630 721 HG23 VAL 98 2HG2 VAL 98 4.219 4.960 12.497 722 HA PRO 99 HA PRO 99 2.923 3.101 7.313 723 HB2 PRO 99 1HB PRO 99 4.706 1.077 7.625 724 HB3 PRO 99 2HB PRO 99 5.004 2.466 6.573 725 HG2 PRO 99 1HG PRO 99 5.981 1.953 9.356 726 HG3 PRO 99 2HG PRO 99 6.864 2.603 7.962 727 HD2 PRO 99 1HD PRO 99 5.885 4.182 9.931 728 HD3 PRO 99 2HD PRO 99 6.002 4.722 8.244 729 H LEU 100 H LEU 100 1.479 1.482 7.662 730 HA LEU 100 HA LEU 100 1.248 0.491 10.419 731 HB2 LEU 100 1HB LEU 100 -0.626 1.804 9.230 732 HB3 LEU 100 2HB LEU 100 -0.903 0.308 8.340 733 HG LEU 100 HG LEU 100 -1.041 -0.700 10.782 734 HD11 LEU 100 1HD1 LEU 100 -0.949 0.833 12.386 735 HD12 LEU 100 2HD1 LEU 100 -2.507 1.425 11.810 736 HD13 LEU 100 3HD1 LEU 100 -1.014 2.154 11.219 737 HD21 LEU 100 3HD2 LEU 100 -3.467 0.819 10.044 738 HD22 LEU 100 1HD2 LEU 100 -3.262 -0.897 10.395 739 HD23 LEU 100 2HD2 LEU 100 -2.801 -0.259 8.817 740 H TYR 101 H TYR 101 1.700 -1.566 10.820 741 HA TYR 101 HA TYR 101 2.052 -3.401 8.573 742 HB2 TYR 101 1HB TYR 101 2.993 -3.383 11.424 743 HB3 TYR 101 2HB TYR 101 3.005 -4.877 10.493 744 HD1 TYR 101 1HD TYR 101 4.206 -1.349 10.358 745 HD2 TYR 101 2HD TYR 101 4.835 -5.379 9.148 746 HE1 TYR 101 1HE TYR 101 6.367 -0.710 9.375 747 HE2 TYR 101 2HE TYR 101 6.999 -4.751 8.162 748 HH TYR 101 HH TYR 101 8.551 -1.875 8.813 749 H GLU 102 H GLU 102 1.338 -5.671 8.860 750 HA GLU 102 HA GLU 102 -0.785 -6.238 10.700 751 HB2 GLU 102 1HB GLU 102 -1.704 -4.818 8.658 752 HB3 GLU 102 2HB GLU 102 -1.677 -6.382 7.857 753 HG2 GLU 102 1HG GLU 102 -3.843 -5.655 8.985 754 HG3 GLU 102 2HG GLU 102 -3.260 -7.289 9.295 755 H SER 103 H SER 103 -1.889 -8.402 9.982 756 HA SER 103 HA SER 103 0.078 -10.141 8.667 757 HB2 SER 103 1HB SER 103 -0.377 -11.869 10.444 758 HB3 SER 103 2HB SER 103 0.513 -10.455 11.009 759 HG SER 103 HG SER 103 -1.549 -9.631 11.737 760 H ALA 104 H ALA 104 -0.769 -11.968 7.648 761 HA ALA 104 HA ALA 104 -3.522 -12.692 7.819 762 HB1 ALA 104 3HB ALA 104 -2.778 -11.511 5.166 763 HB2 ALA 104 1HB ALA 104 -4.377 -11.896 5.803 764 HB3 ALA 104 2HB ALA 104 -3.479 -10.520 6.445 765 H THR 105 H THR 105 -3.302 -14.824 7.706 766 HA THR 105 HA THR 105 -1.286 -15.988 5.936 767 HB THR 105 HB THR 105 -3.013 -17.398 7.977 768 HG1 THR 105 1HG THR 105 -0.684 -17.332 8.970 769 HG21 THR 105 3HG2 THR 105 -0.558 -18.211 6.426 770 HG22 THR 105 1HG2 THR 105 -2.155 -18.958 6.388 771 HG23 THR 105 2HG2 THR 105 -1.153 -19.091 7.834 772 H THR 106 H THR 106 -1.944 -16.379 3.925 773 HA THR 106 HA THR 106 -4.469 -16.458 2.904 774 HB THR 106 HB THR 106 -3.558 -17.931 1.075 775 HG1 THR 106 1HG THR 106 -1.376 -18.496 1.197 776 HG21 THR 106 3HG2 THR 106 -1.843 -16.264 0.335 777 HG22 THR 106 1HG2 THR 106 -1.984 -15.498 1.917 778 HG23 THR 106 2HG2 THR 106 -3.376 -15.552 0.837 779 H ARG 107 H ARG 107 -5.535 -18.452 1.862 780 HA ARG 107 HA ARG 107 -5.996 -20.383 4.003 781 HB2 ARG 107 1HB ARG 107 -7.544 -20.211 1.429 782 HB3 ARG 107 2HB ARG 107 -8.062 -20.866 2.976 783 HG2 ARG 107 1HG ARG 107 -7.459 -17.954 2.548 784 HG3 ARG 107 2HG ARG 107 -9.063 -18.656 2.331 785 HD2 ARG 107 1HD ARG 107 -7.623 -19.201 4.873 786 HD3 ARG 107 2HD ARG 107 -8.298 -17.590 4.631 787 HE ARG 107 HE ARG 107 -10.366 -19.211 4.014 788 HH11 ARG 107 1HH1 ARG 107 -8.219 -19.032 6.748 789 HH12 ARG 107 2HH1 ARG 107 -9.393 -19.626 7.876 790 HH21 ARG 107 1HH2 ARG 107 -11.922 -19.993 5.488 791 HH22 ARG 107 2HH2 ARG 107 -11.499 -20.173 7.157 792 H SER 108 H SER 108 -6.522 -22.675 3.219 793 HA SER 108 HA SER 108 -4.268 -23.563 1.583 794 HB2 SER 108 1HB SER 108 -6.154 -25.197 3.298 795 HB3 SER 108 2HB SER 108 -4.671 -25.771 2.537 796 HG SER 108 HG SER 108 -3.846 -25.214 4.400 797 H ILE 109 H ILE 109 -4.486 -24.465 -0.373 798 HA ILE 109 HA ILE 109 -6.588 -24.127 -2.032 799 HB ILE 109 HB ILE 109 -4.753 -26.526 -2.049 800 HG12 ILE 109 1HG1 ILE 109 -3.642 -24.282 -2.090 801 HG13 ILE 109 2HG1 ILE 109 -3.354 -25.246 -3.534 802 HG21 ILE 109 1HG2 ILE 109 -5.398 -26.968 -4.238 803 HG22 ILE 109 2HG2 ILE 109 -6.922 -26.579 -3.440 804 HG23 ILE 109 3HG2 ILE 109 -6.123 -25.374 -4.450 805 HD11 ILE 109 3HD1 ILE 109 -5.673 -23.487 -3.733 806 HD12 ILE 109 1HD1 ILE 109 -4.142 -22.643 -3.505 807 HD13 ILE 109 2HD1 ILE 109 -4.344 -23.753 -4.861 808 H THR 110 H THR 110 -8.658 -24.612 -1.731 809 HA THR 110 HA THR 110 -9.360 -27.176 -0.480 810 HB THR 110 HB THR 110 -10.306 -25.188 0.605 811 HG1 THR 110 1HG THR 110 -12.399 -25.992 0.691 812 HG21 THR 110 3HG2 THR 110 -11.616 -23.608 -0.448 813 HG22 THR 110 1HG2 THR 110 -12.063 -24.696 -1.760 814 HG23 THR 110 2HG2 THR 110 -10.451 -23.981 -1.718 815 H SER 111 H SER 111 -11.392 -28.206 -1.317 816 HA SER 111 HA SER 111 -11.237 -28.333 -4.232 817 HB2 SER 111 1HB SER 111 -11.122 -30.398 -2.720 818 HB3 SER 111 2HB SER 111 -12.849 -30.159 -2.451 819 HG SER 111 HG SER 111 -11.508 -31.058 -4.696 820 H GLY 112 H GLY 112 -12.485 -26.817 -5.164 821 HA2 GLY 112 1HA GLY 112 -14.654 -26.305 -6.022 822 HA3 GLY 112 2HA GLY 112 -15.349 -26.866 -4.508 823 HA PRO 113 HA PRO 113 -14.637 -22.139 -4.666 824 HB2 PRO 113 1HB PRO 113 -17.148 -21.338 -5.316 825 HB3 PRO 113 2HB PRO 113 -15.894 -21.643 -6.524 826 HG2 PRO 113 1HG PRO 113 -18.141 -23.412 -5.638 827 HG3 PRO 113 2HG PRO 113 -17.545 -23.097 -7.278 828 HD2 PRO 113 1HD PRO 113 -16.893 -25.332 -5.896 829 HD3 PRO 113 2HD PRO 113 -15.788 -24.572 -7.059 830 H SER 114 H SER 114 -16.309 -24.481 -3.052 831 HA SER 114 HA SER 114 -17.135 -24.613 -0.932 832 HB2 SER 114 1HB SER 114 -15.301 -22.946 -0.434 833 HB3 SER 114 2HB SER 114 -16.502 -21.671 -0.641 834 HG SER 114 HG SER 114 -17.731 -22.883 1.015 835 H SER 115 H SER 115 -18.900 -24.266 -3.013 836 HA SER 115 HA SER 115 -20.785 -22.180 -2.434 837 HB2 SER 115 1HB SER 115 -20.550 -22.993 -4.719 838 HB3 SER 115 2HB SER 115 -21.006 -24.620 -4.214 839 HG SER 115 HG SER 115 -22.582 -22.511 -4.839 840 H GLY 116 H GLY 116 -22.716 -22.308 -1.365 841 HA2 GLY 116 1HA GLY 116 -24.475 -23.308 -0.199 842 HA3 GLY 116 2HA GLY 116 -23.682 -24.865 -0.384 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -25.443 10.383 -5.613 2 HA2 GLY 1 1HA GLY 1 -23.355 8.890 -5.009 3 HA3 GLY 1 2HA GLY 1 -23.381 9.757 -6.538 4 H SER 2 H SER 2 -21.242 8.979 -4.475 5 HA SER 2 HA SER 2 -20.163 11.190 -3.224 6 HB2 SER 2 1HB SER 2 -18.628 8.963 -4.586 7 HB3 SER 2 2HB SER 2 -18.004 10.034 -3.332 8 HG SER 2 HG SER 2 -20.321 8.501 -2.876 9 H SER 3 H SER 3 -19.790 13.124 -4.072 10 HA SER 3 HA SER 3 -18.560 13.266 -6.748 11 HB2 SER 3 1HB SER 3 -19.617 15.556 -6.883 12 HB3 SER 3 2HB SER 3 -20.760 14.213 -6.881 13 HG SER 3 HG SER 3 -20.931 16.213 -5.346 14 H GLY 4 H GLY 4 -18.933 15.301 -3.834 15 HA2 GLY 4 1HA GLY 4 -17.461 16.894 -2.992 16 HA3 GLY 4 2HA GLY 4 -16.444 15.466 -2.869 17 H SER 5 H SER 5 -17.501 17.703 -5.442 18 HA SER 5 HA SER 5 -14.774 17.625 -6.521 19 HB2 SER 5 1HB SER 5 -17.372 18.574 -7.751 20 HB3 SER 5 2HB SER 5 -15.802 18.659 -8.549 21 HG SER 5 HG SER 5 -16.266 16.713 -9.187 22 H SER 6 H SER 6 -15.115 19.086 -4.179 23 HA SER 6 HA SER 6 -15.415 21.881 -4.880 24 HB2 SER 6 1HB SER 6 -14.757 20.473 -2.288 25 HB3 SER 6 2HB SER 6 -14.820 22.229 -2.442 26 HG SER 6 HG SER 6 -16.966 20.509 -3.133 27 H GLY 7 H GLY 7 -12.814 19.802 -3.607 28 HA2 GLY 7 1HA GLY 7 -10.736 20.509 -5.150 29 HA3 GLY 7 2HA GLY 7 -10.847 21.887 -4.066 30 HA PRO 8 HA PRO 8 -9.093 17.847 -1.978 31 HB2 PRO 8 1HB PRO 8 -6.816 17.212 -3.312 32 HB3 PRO 8 2HB PRO 8 -8.384 16.491 -3.692 33 HG2 PRO 8 1HG PRO 8 -6.954 18.740 -5.054 34 HG3 PRO 8 2HG PRO 8 -7.830 17.375 -5.770 35 HD2 PRO 8 1HD PRO 8 -8.912 19.848 -5.550 36 HD3 PRO 8 2HD PRO 8 -9.887 18.367 -5.452 37 H GLU 9 H GLU 9 -8.202 20.909 -2.776 38 HA GLU 9 HA GLU 9 -5.997 20.894 -0.823 39 HB2 GLU 9 1HB GLU 9 -6.215 22.601 -3.310 40 HB3 GLU 9 2HB GLU 9 -4.968 22.760 -2.081 41 HG2 GLU 9 1HG GLU 9 -3.866 20.887 -2.751 42 HG3 GLU 9 2HG GLU 9 -5.330 20.102 -3.342 43 H ASN 10 H ASN 10 -7.923 21.280 0.601 44 HA ASN 10 HA ASN 10 -8.360 24.169 0.836 45 HB2 ASN 10 1HB ASN 10 -10.368 23.284 -0.231 46 HB3 ASN 10 2HB ASN 10 -10.527 22.067 1.032 47 HD21 ASN 10 1HD2 ASN 10 -11.444 22.601 2.948 48 HD22 ASN 10 2HD2 ASN 10 -12.128 24.150 3.289 49 H ASP 11 H ASP 11 -7.408 24.674 2.695 50 HA ASP 11 HA ASP 11 -6.727 24.615 4.868 51 HB2 ASP 11 1HB ASP 11 -9.377 24.647 4.926 52 HB3 ASP 11 2HB ASP 11 -9.150 23.049 5.634 53 H LEU 12 H LEU 12 -5.590 22.619 3.364 54 HA LEU 12 HA LEU 12 -5.500 20.365 5.259 55 HB2 LEU 12 1HB LEU 12 -4.830 20.182 2.335 56 HB3 LEU 12 2HB LEU 12 -5.067 18.863 3.479 57 HG LEU 12 HG LEU 12 -7.239 20.714 2.499 58 HD11 LEU 12 1HD1 LEU 12 -7.381 19.446 0.690 59 HD12 LEU 12 2HD1 LEU 12 -7.639 18.029 1.706 60 HD13 LEU 12 3HD1 LEU 12 -6.003 18.487 1.232 61 HD21 LEU 12 3HD2 LEU 12 -8.095 19.980 4.477 62 HD22 LEU 12 1HD2 LEU 12 -7.116 18.513 4.486 63 HD23 LEU 12 2HD2 LEU 12 -8.545 18.613 3.456 64 H ASP 13 H ASP 13 -3.343 19.092 4.896 65 HA ASP 13 HA ASP 13 -1.138 21.030 4.656 66 HB2 ASP 13 1HB ASP 13 -1.773 20.288 7.043 67 HB3 ASP 13 2HB ASP 13 -1.079 18.731 6.598 68 H GLU 14 H GLU 14 0.478 20.447 3.348 69 HA GLU 14 HA GLU 14 0.612 17.630 2.492 70 HB2 GLU 14 1HB GLU 14 -0.201 19.477 0.824 71 HB3 GLU 14 2HB GLU 14 1.508 19.873 0.719 72 HG2 GLU 14 1HG GLU 14 2.051 17.764 -0.166 73 HG3 GLU 14 2HG GLU 14 0.480 17.092 0.266 74 H SER 15 H SER 15 2.239 20.269 3.863 75 HA SER 15 HA SER 15 4.894 19.705 3.055 76 HB2 SER 15 1HB SER 15 3.591 21.386 5.118 77 HB3 SER 15 2HB SER 15 5.261 20.919 5.441 78 HG SER 15 HG SER 15 5.407 21.641 3.026 79 H GLN 16 H GLN 16 2.770 18.202 5.281 80 HA GLN 16 HA GLN 16 5.010 16.690 6.451 81 HB2 GLN 16 1HB GLN 16 3.590 16.239 8.368 82 HB3 GLN 16 2HB GLN 16 3.691 17.973 8.094 83 HG2 GLN 16 1HG GLN 16 1.505 17.938 7.017 84 HG3 GLN 16 2HG GLN 16 1.404 16.197 7.273 85 HE21 GLN 16 1HE2 GLN 16 -0.036 18.736 8.285 86 HE22 GLN 16 2HE2 GLN 16 -0.182 18.448 9.982 87 H VAL 17 H VAL 17 4.721 14.419 6.776 88 HA VAL 17 HA VAL 17 3.399 13.149 4.575 89 HB VAL 17 HB VAL 17 4.226 11.037 5.580 90 HG11 VAL 17 1HG1 VAL 17 6.743 11.933 5.626 91 HG12 VAL 17 2HG1 VAL 17 5.814 11.768 4.134 92 HG13 VAL 17 3HG1 VAL 17 5.958 13.343 4.916 93 HG21 VAL 17 3HG2 VAL 17 4.719 12.846 7.855 94 HG22 VAL 17 1HG2 VAL 17 4.357 11.120 7.832 95 HG23 VAL 17 2HG2 VAL 17 5.997 11.681 7.507 96 HA PRO 18 HA PRO 18 -0.482 12.216 6.424 97 HB2 PRO 18 1HB PRO 18 -1.130 9.984 5.021 98 HB3 PRO 18 2HB PRO 18 -1.174 11.606 4.320 99 HG2 PRO 18 1HG PRO 18 0.942 9.500 4.092 100 HG3 PRO 18 2HG PRO 18 0.279 10.561 2.835 101 HD2 PRO 18 1HD PRO 18 2.649 11.047 4.051 102 HD3 PRO 18 2HD PRO 18 1.585 12.348 3.477 103 H ASP 19 H ASP 19 -1.078 11.216 8.245 104 HA ASP 19 HA ASP 19 0.616 9.310 9.500 105 HB2 ASP 19 1HB ASP 19 -1.996 10.601 10.159 106 HB3 ASP 19 2HB ASP 19 -1.518 9.166 11.061 107 H GLN 20 H GLN 20 -0.259 7.225 10.409 108 HA GLN 20 HA GLN 20 -1.000 5.515 8.294 109 HB2 GLN 20 1HB GLN 20 -0.973 3.753 9.894 110 HB3 GLN 20 2HB GLN 20 0.301 4.875 10.354 111 HG2 GLN 20 1HG GLN 20 -1.556 5.891 11.886 112 HG3 GLN 20 2HG GLN 20 -2.295 4.302 11.691 113 HE21 GLN 20 1HE2 GLN 20 0.596 3.303 11.369 114 HE22 GLN 20 2HE2 GLN 20 1.133 3.117 13.000 115 HA PRO 21 HA PRO 21 -5.386 5.581 8.266 116 HB2 PRO 21 1HB PRO 21 -5.977 2.979 7.764 117 HB3 PRO 21 2HB PRO 21 -5.290 4.061 6.546 118 HG2 PRO 21 1HG PRO 21 -3.922 2.018 8.254 119 HG3 PRO 21 2HG PRO 21 -3.697 2.367 6.530 120 HD2 PRO 21 1HD PRO 21 -2.000 3.277 8.434 121 HD3 PRO 21 2HD PRO 21 -2.341 4.183 6.946 122 H SER 22 H SER 22 -6.748 5.774 9.920 123 HA SER 22 HA SER 22 -6.526 5.090 12.470 124 HB2 SER 22 1HB SER 22 -8.819 5.392 12.746 125 HB3 SER 22 2HB SER 22 -8.530 6.190 11.201 126 HG SER 22 HG SER 22 -10.239 4.297 11.651 127 H SER 23 H SER 23 -7.496 2.855 9.935 128 HA SER 23 HA SER 23 -6.704 0.606 11.538 129 HB2 SER 23 1HB SER 23 -9.606 0.782 10.694 130 HB3 SER 23 2HB SER 23 -8.841 -0.544 11.570 131 HG SER 23 HG SER 23 -9.384 2.081 12.468 132 H LEU 24 H LEU 24 -6.465 -1.305 10.328 133 HA LEU 24 HA LEU 24 -6.937 -1.058 7.437 134 HB2 LEU 24 1HB LEU 24 -4.682 -0.639 7.450 135 HB3 LEU 24 2HB LEU 24 -4.398 -1.628 8.881 136 HG LEU 24 HG LEU 24 -4.705 -3.654 7.476 137 HD11 LEU 24 1HD1 LEU 24 -5.535 -3.523 5.427 138 HD12 LEU 24 2HD1 LEU 24 -4.218 -2.458 4.933 139 HD13 LEU 24 3HD1 LEU 24 -5.693 -1.776 5.617 140 HD21 LEU 24 3HD2 LEU 24 -2.504 -1.968 7.695 141 HD22 LEU 24 1HD2 LEU 24 -2.576 -2.393 5.984 142 HD23 LEU 24 2HD2 LEU 24 -2.498 -3.663 7.205 143 H HIS 25 H HIS 25 -8.511 -2.530 7.162 144 HA HIS 25 HA HIS 25 -8.465 -5.058 8.570 145 HB2 HIS 25 1HB HIS 25 -10.613 -3.988 8.254 146 HB3 HIS 25 2HB HIS 25 -10.370 -3.929 6.510 147 HD1 HIS 25 1HD HIS 25 -12.355 -5.368 5.877 148 HD2 HIS 25 2HD HIS 25 -9.793 -7.220 8.573 149 HE1 HIS 25 1HE HIS 25 -13.119 -7.762 5.995 150 HE2 HIS 25 2HE HIS 25 -11.608 -8.841 7.696 151 H VAL 26 H VAL 26 -7.925 -7.013 7.753 152 HA VAL 26 HA VAL 26 -7.357 -7.254 4.891 153 HB VAL 26 HB VAL 26 -5.212 -8.345 5.293 154 HG11 VAL 26 1HG1 VAL 26 -5.769 -5.558 5.863 155 HG12 VAL 26 2HG1 VAL 26 -4.283 -6.110 6.639 156 HG13 VAL 26 3HG1 VAL 26 -4.483 -6.277 4.894 157 HG21 VAL 26 3HG2 VAL 26 -4.168 -8.308 7.503 158 HG22 VAL 26 1HG2 VAL 26 -5.631 -7.597 8.186 159 HG23 VAL 26 2HG2 VAL 26 -5.670 -9.231 7.524 160 H ARG 27 H ARG 27 -7.986 -9.154 4.058 161 HA ARG 27 HA ARG 27 -8.588 -11.352 5.924 162 HB2 ARG 27 1HB ARG 27 -10.278 -10.092 3.830 163 HB3 ARG 27 2HB ARG 27 -10.371 -11.842 3.985 164 HG2 ARG 27 1HG ARG 27 -10.688 -11.297 6.525 165 HG3 ARG 27 2HG ARG 27 -11.187 -9.721 5.906 166 HD2 ARG 27 1HD ARG 27 -13.137 -11.095 6.151 167 HD3 ARG 27 2HD ARG 27 -12.815 -10.880 4.431 168 HE ARG 27 HE ARG 27 -11.562 -13.200 4.977 169 HH11 ARG 27 1HH1 ARG 27 -14.776 -12.040 5.646 170 HH12 ARG 27 2HH1 ARG 27 -15.498 -13.614 5.583 171 HH21 ARG 27 1HH2 ARG 27 -12.501 -15.277 4.891 172 HH22 ARG 27 2HH2 ARG 27 -14.202 -15.455 5.154 173 HA PRO 28 HA PRO 28 -5.648 -13.236 3.069 174 HB2 PRO 28 1HB PRO 28 -5.178 -15.400 4.639 175 HB3 PRO 28 2HB PRO 28 -4.411 -13.831 4.911 176 HG2 PRO 28 1HG PRO 28 -6.784 -15.042 6.277 177 HG3 PRO 28 2HG PRO 28 -5.420 -14.153 6.981 178 HD2 PRO 28 1HD PRO 28 -7.831 -13.005 6.531 179 HD3 PRO 28 2HD PRO 28 -6.307 -12.100 6.423 180 H GLN 29 H GLN 29 -6.731 -14.012 1.338 181 HA GLN 29 HA GLN 29 -8.753 -16.081 1.690 182 HB2 GLN 29 1HB GLN 29 -7.878 -14.905 -0.937 183 HB3 GLN 29 2HB GLN 29 -9.419 -15.650 -0.532 184 HG2 GLN 29 1HG GLN 29 -8.444 -13.050 0.625 185 HG3 GLN 29 2HG GLN 29 -9.500 -13.181 -0.781 186 HE21 GLN 29 1HE2 GLN 29 -10.973 -11.898 0.503 187 HE22 GLN 29 2HE2 GLN 29 -11.993 -12.677 1.658 188 H THR 30 H THR 30 -8.621 -17.621 -0.471 189 HA THR 30 HA THR 30 -6.706 -19.537 0.114 190 HB THR 30 HB THR 30 -7.640 -19.371 -2.707 191 HG1 THR 30 1HG THR 30 -9.381 -19.860 -0.499 192 HG21 THR 30 3HG2 THR 30 -7.150 -21.450 -0.632 193 HG22 THR 30 1HG2 THR 30 -6.662 -21.410 -2.326 194 HG23 THR 30 2HG2 THR 30 -8.329 -21.794 -1.897 195 H ASN 31 H ASN 31 -6.727 -17.551 -2.854 196 HA ASN 31 HA ASN 31 -3.782 -17.647 -2.813 197 HB2 ASN 31 1HB ASN 31 -5.572 -17.504 -5.249 198 HB3 ASN 31 2HB ASN 31 -3.814 -17.602 -5.252 199 HD21 ASN 31 1HD2 ASN 31 -3.042 -19.528 -3.791 200 HD22 ASN 31 2HD2 ASN 31 -3.809 -21.034 -4.147 201 H CYS 32 H CYS 32 -6.351 -15.674 -2.340 202 HA CYS 32 HA CYS 32 -4.841 -13.304 -3.222 203 HB2 CYS 32 1HB CYS 32 -7.190 -12.219 -3.351 204 HB3 CYS 32 2HB CYS 32 -6.677 -13.272 -4.664 205 HG CYS 32 HG CYS 32 -8.340 -15.291 -4.190 206 H ILE 33 H ILE 33 -5.732 -11.280 -2.018 207 HA ILE 33 HA ILE 33 -6.631 -11.787 0.683 208 HB ILE 33 HB ILE 33 -3.924 -10.517 0.264 209 HG12 ILE 33 1HG1 ILE 33 -4.653 -13.247 1.347 210 HG13 ILE 33 2HG1 ILE 33 -3.804 -12.918 -0.159 211 HG21 ILE 33 1HG2 ILE 33 -5.716 -10.156 2.312 212 HG22 ILE 33 2HG2 ILE 33 -4.661 -11.424 2.933 213 HG23 ILE 33 3HG2 ILE 33 -3.976 -9.887 2.407 214 HD11 ILE 33 3HD1 ILE 33 -1.865 -12.247 0.950 215 HD12 ILE 33 1HD1 ILE 33 -2.708 -12.040 2.485 216 HD13 ILE 33 2HD1 ILE 33 -2.425 -13.659 1.845 217 H ILE 34 H ILE 34 -8.259 -10.358 0.653 218 HA ILE 34 HA ILE 34 -7.936 -7.750 -0.573 219 HB ILE 34 HB ILE 34 -10.286 -9.057 0.792 220 HG12 ILE 34 1HG1 ILE 34 -11.243 -8.954 -1.514 221 HG13 ILE 34 2HG1 ILE 34 -9.692 -8.353 -2.089 222 HG21 ILE 34 1HG2 ILE 34 -9.842 -6.256 -0.049 223 HG22 ILE 34 2HG2 ILE 34 -11.406 -6.969 -0.436 224 HG23 ILE 34 3HG2 ILE 34 -10.856 -6.908 1.238 225 HD11 ILE 34 3HD1 ILE 34 -9.766 -10.915 -0.584 226 HD12 ILE 34 1HD1 ILE 34 -10.310 -10.887 -2.261 227 HD13 ILE 34 2HD1 ILE 34 -8.668 -10.382 -1.856 228 H MET 35 H MET 35 -7.591 -5.877 0.464 229 HA MET 35 HA MET 35 -7.801 -5.843 3.397 230 HB2 MET 35 1HB MET 35 -5.745 -4.251 3.237 231 HB3 MET 35 2HB MET 35 -5.497 -5.992 3.190 232 HG2 MET 35 1HG MET 35 -5.252 -5.946 0.801 233 HG3 MET 35 2HG MET 35 -5.664 -4.233 0.756 234 HE1 MET 35 3HE MET 35 -3.335 -2.209 1.504 235 HE2 MET 35 1HE MET 35 -4.585 -2.788 2.605 236 HE3 MET 35 2HE MET 35 -2.889 -2.860 3.082 237 H SER 36 H SER 36 -8.844 -4.130 4.209 238 HA SER 36 HA SER 36 -9.288 -1.812 2.445 239 HB2 SER 36 1HB SER 36 -11.549 -1.607 3.541 240 HB3 SER 36 2HB SER 36 -11.360 -3.025 2.509 241 HG SER 36 HG SER 36 -11.898 -2.892 5.154 242 H TRP 37 H TRP 37 -8.412 -0.042 3.264 243 HA TRP 37 HA TRP 37 -8.180 0.195 6.191 244 HB2 TRP 37 1HB TRP 37 -6.306 1.765 5.735 245 HB3 TRP 37 2HB TRP 37 -6.008 0.141 5.123 246 HD1 TRP 37 HD TRP 37 -6.219 3.722 4.028 247 HE1 TRP 37 1HE TRP 37 -5.787 3.882 1.495 248 HE3 TRP 37 3HE TRP 37 -6.446 -1.248 2.850 249 HZ2 TRP 37 2HZ TRP 37 -5.572 2.133 -0.710 250 HZ3 TRP 37 3HZ TRP 37 -6.117 -1.920 0.506 251 HH2 TRP 37 HH TRP 37 -5.689 -0.264 -1.235 252 H THR 38 H THR 38 -7.742 2.786 6.584 253 HA THR 38 HA THR 38 -9.898 4.257 5.240 254 HB THR 38 HB THR 38 -10.156 5.237 7.752 255 HG1 THR 38 1HG THR 38 -9.872 2.436 8.136 256 HG21 THR 38 3HG2 THR 38 -12.230 4.709 7.129 257 HG22 THR 38 1HG2 THR 38 -11.926 3.066 7.692 258 HG23 THR 38 2HG2 THR 38 -11.635 3.488 6.005 259 HA PRO 39 HA PRO 39 -7.204 7.720 5.212 260 HB2 PRO 39 1HB PRO 39 -8.856 9.795 5.792 261 HB3 PRO 39 2HB PRO 39 -8.900 8.934 4.249 262 HG2 PRO 39 1HG PRO 39 -10.665 8.617 6.646 263 HG3 PRO 39 2HG PRO 39 -11.107 8.660 4.929 264 HD2 PRO 39 1HD PRO 39 -10.903 6.348 6.323 265 HD3 PRO 39 2HD PRO 39 -10.519 6.457 4.593 266 HA PRO 40 HA PRO 40 -5.724 8.865 9.191 267 HB2 PRO 40 1HB PRO 40 -4.897 11.424 8.820 268 HB3 PRO 40 2HB PRO 40 -4.046 10.032 8.141 269 HG2 PRO 40 1HG PRO 40 -5.985 11.893 6.824 270 HG3 PRO 40 2HG PRO 40 -4.459 11.241 6.198 271 HD2 PRO 40 1HD PRO 40 -6.872 10.229 5.501 272 HD3 PRO 40 2HD PRO 40 -5.413 9.224 5.621 273 H LEU 41 H LEU 41 -6.518 9.591 11.088 274 HA LEU 41 HA LEU 41 -9.083 10.595 11.342 275 HB2 LEU 41 1HB LEU 41 -6.733 10.670 13.215 276 HB3 LEU 41 2HB LEU 41 -8.329 11.258 13.678 277 HG LEU 41 HG LEU 41 -8.092 8.478 12.638 278 HD11 LEU 41 1HD1 LEU 41 -7.584 9.046 15.532 279 HD12 LEU 41 2HD1 LEU 41 -6.253 8.969 14.378 280 HD13 LEU 41 3HD1 LEU 41 -7.295 7.567 14.617 281 HD21 LEU 41 3HD2 LEU 41 -10.285 8.987 13.094 282 HD22 LEU 41 1HD2 LEU 41 -9.875 10.042 14.446 283 HD23 LEU 41 2HD2 LEU 41 -9.777 8.291 14.633 284 H ASN 42 H ASN 42 -6.278 12.242 10.407 285 HA ASN 42 HA ASN 42 -7.382 14.852 11.168 286 HB2 ASN 42 1HB ASN 42 -4.860 13.995 11.466 287 HB3 ASN 42 2HB ASN 42 -4.732 14.649 9.836 288 HD21 ASN 42 1HD2 ASN 42 -5.090 16.861 9.500 289 HD22 ASN 42 2HD2 ASN 42 -4.983 17.998 10.797 290 HA PRO 43 HA PRO 43 -8.768 14.759 6.844 291 HB2 PRO 43 1HB PRO 43 -10.672 16.661 7.200 292 HB3 PRO 43 2HB PRO 43 -10.925 14.960 7.609 293 HG2 PRO 43 1HG PRO 43 -10.216 17.253 9.398 294 HG3 PRO 43 2HG PRO 43 -11.381 15.943 9.666 295 HD2 PRO 43 1HD PRO 43 -8.907 15.940 10.766 296 HD3 PRO 43 2HD PRO 43 -9.745 14.447 10.296 297 H ASN 44 H ASN 44 -7.037 16.929 8.666 298 HA ASN 44 HA ASN 44 -7.108 19.080 6.691 299 HB2 ASN 44 1HB ASN 44 -5.509 18.954 9.254 300 HB3 ASN 44 2HB ASN 44 -5.847 20.381 8.278 301 HD21 ASN 44 1HD2 ASN 44 -7.411 17.848 10.177 302 HD22 ASN 44 2HD2 ASN 44 -8.730 18.824 10.719 303 H ILE 45 H ILE 45 -5.744 16.252 6.617 304 HA ILE 45 HA ILE 45 -3.108 17.219 5.725 305 HB ILE 45 HB ILE 45 -3.867 14.436 6.620 306 HG12 ILE 45 1HG1 ILE 45 -3.771 15.871 8.536 307 HG13 ILE 45 2HG1 ILE 45 -2.269 14.955 8.498 308 HG21 ILE 45 1HG2 ILE 45 -2.082 14.701 4.817 309 HG22 ILE 45 2HG2 ILE 45 -1.097 15.453 6.071 310 HG23 ILE 45 3HG2 ILE 45 -1.643 13.786 6.259 311 HD11 ILE 45 3HD1 ILE 45 -2.631 17.798 7.582 312 HD12 ILE 45 1HD1 ILE 45 -1.870 17.272 9.084 313 HD13 ILE 45 2HD1 ILE 45 -1.124 16.882 7.534 314 H VAL 46 H VAL 46 -2.312 16.574 3.738 315 HA VAL 46 HA VAL 46 -4.330 15.767 1.811 316 HB VAL 46 HB VAL 46 -1.466 16.652 1.448 317 HG11 VAL 46 1HG1 VAL 46 -3.353 15.392 -0.403 318 HG12 VAL 46 2HG1 VAL 46 -2.645 16.895 -0.997 319 HG13 VAL 46 3HG1 VAL 46 -1.601 15.561 -0.507 320 HG21 VAL 46 3HG2 VAL 46 -2.498 18.667 0.481 321 HG22 VAL 46 1HG2 VAL 46 -4.091 18.028 0.886 322 HG23 VAL 46 2HG2 VAL 46 -2.951 18.433 2.169 323 H VAL 47 H VAL 47 -4.270 13.934 0.552 324 HA VAL 47 HA VAL 47 -2.184 11.953 1.170 325 HB VAL 47 HB VAL 47 -5.145 11.388 0.972 326 HG11 VAL 47 1HG1 VAL 47 -4.024 9.551 -0.008 327 HG12 VAL 47 2HG1 VAL 47 -2.765 9.565 1.229 328 HG13 VAL 47 3HG1 VAL 47 -4.406 9.065 1.644 329 HG21 VAL 47 3HG2 VAL 47 -4.806 12.254 3.110 330 HG22 VAL 47 1HG2 VAL 47 -4.673 10.511 3.346 331 HG23 VAL 47 2HG2 VAL 47 -3.217 11.504 3.266 332 H ARG 48 H ARG 48 -1.214 11.217 -0.596 333 HA ARG 48 HA ARG 48 -2.491 11.655 -3.195 334 HB2 ARG 48 1HB ARG 48 0.372 10.973 -2.502 335 HB3 ARG 48 2HB ARG 48 -0.236 11.262 -4.127 336 HG2 ARG 48 1HG ARG 48 -0.060 13.239 -1.867 337 HG3 ARG 48 2HG ARG 48 0.862 13.238 -3.372 338 HD2 ARG 48 1HD ARG 48 -1.487 13.347 -4.490 339 HD3 ARG 48 2HD ARG 48 -2.013 13.916 -2.907 340 HE ARG 48 HE ARG 48 0.075 15.523 -3.421 341 HH11 ARG 48 1HH1 ARG 48 -2.696 14.614 -5.322 342 HH12 ARG 48 2HH1 ARG 48 -2.754 16.111 -6.191 343 HH21 ARG 48 1HH2 ARG 48 0.009 17.499 -4.558 344 HH22 ARG 48 2HH2 ARG 48 -1.215 17.751 -5.756 345 H GLY 49 H GLY 49 -1.898 9.196 -0.956 346 HA2 GLY 49 1HA GLY 49 -3.242 7.181 -2.163 347 HA3 GLY 49 2HA GLY 49 -1.636 7.041 -2.862 348 H TYR 50 H TYR 50 -1.510 4.945 -1.882 349 HA TYR 50 HA TYR 50 -0.357 5.065 0.764 350 HB2 TYR 50 1HB TYR 50 -2.462 2.978 0.496 351 HB3 TYR 50 2HB TYR 50 -1.883 3.814 1.933 352 HD1 TYR 50 2HD TYR 50 -4.111 4.070 -0.993 353 HD2 TYR 50 1HD TYR 50 -2.920 5.830 2.693 354 HE1 TYR 50 2HE TYR 50 -6.076 5.548 -1.070 355 HE2 TYR 50 1HE TYR 50 -4.882 7.312 2.627 356 HH TYR 50 HH TYR 50 -6.464 8.205 1.095 357 H ILE 51 H ILE 51 1.322 3.722 0.872 358 HA ILE 51 HA ILE 51 1.810 1.897 -1.324 359 HB ILE 51 HB ILE 51 3.528 2.521 1.081 360 HG12 ILE 51 1HG1 ILE 51 3.947 3.489 -1.741 361 HG13 ILE 51 2HG1 ILE 51 2.976 4.400 -0.589 362 HG21 ILE 51 1HG2 ILE 51 4.502 1.338 -1.488 363 HG22 ILE 51 2HG2 ILE 51 5.247 1.308 0.109 364 HG23 ILE 51 3HG2 ILE 51 3.833 0.309 -0.223 365 HD11 ILE 51 3HD1 ILE 51 5.877 3.663 -0.280 366 HD12 ILE 51 1HD1 ILE 51 5.233 5.257 -0.675 367 HD13 ILE 51 2HD1 ILE 51 4.911 4.542 0.905 368 H ILE 52 H ILE 52 1.423 -0.214 -1.293 369 HA ILE 52 HA ILE 52 0.757 -1.476 1.276 370 HB ILE 52 HB ILE 52 0.108 -2.424 -1.517 371 HG12 ILE 52 1HG1 ILE 52 -1.849 -1.374 0.516 372 HG13 ILE 52 2HG1 ILE 52 -1.038 -0.296 -0.615 373 HG21 ILE 52 1HG2 ILE 52 -1.169 -3.435 0.989 374 HG22 ILE 52 2HG2 ILE 52 -1.037 -4.206 -0.591 375 HG23 ILE 52 3HG2 ILE 52 0.379 -4.091 0.454 376 HD11 ILE 52 3HD1 ILE 52 -1.995 -2.265 -2.255 377 HD12 ILE 52 1HD1 ILE 52 -3.260 -2.124 -1.035 378 HD13 ILE 52 2HD1 ILE 52 -2.762 -0.706 -1.958 379 H GLY 53 H GLY 53 2.562 -2.342 2.122 380 HA2 GLY 53 1HA GLY 53 4.406 -3.785 0.348 381 HA3 GLY 53 2HA GLY 53 4.765 -3.245 1.981 382 H TYR 54 H TYR 54 3.288 -5.718 0.030 383 HA TYR 54 HA TYR 54 2.880 -7.356 2.443 384 HB2 TYR 54 1HB TYR 54 1.303 -8.683 1.105 385 HB3 TYR 54 2HB TYR 54 0.829 -6.989 1.159 386 HD1 TYR 54 1HD TYR 54 1.531 -5.522 -0.850 387 HD2 TYR 54 2HD TYR 54 1.492 -9.776 -0.943 388 HE1 TYR 54 1HE TYR 54 1.452 -5.462 -3.308 389 HE2 TYR 54 2HE TYR 54 1.414 -9.727 -3.401 390 HH TYR 54 HH TYR 54 0.515 -7.841 -5.176 391 H GLY 55 H GLY 55 3.336 -9.673 2.226 392 HA2 GLY 55 1HA GLY 55 4.696 -10.896 0.155 393 HA3 GLY 55 2HA GLY 55 5.929 -10.099 1.120 394 H VAL 56 H VAL 56 5.492 -12.953 0.655 395 HA VAL 56 HA VAL 56 4.326 -14.208 2.882 396 HB VAL 56 HB VAL 56 6.611 -15.240 1.195 397 HG11 VAL 56 1HG1 VAL 56 6.367 -16.557 3.179 398 HG12 VAL 56 2HG1 VAL 56 4.615 -16.628 2.978 399 HG13 VAL 56 3HG1 VAL 56 5.670 -17.461 1.835 400 HG21 VAL 56 3HG2 VAL 56 5.186 -15.701 -0.471 401 HG22 VAL 56 1HG2 VAL 56 3.914 -16.218 0.636 402 HG23 VAL 56 2HG2 VAL 56 4.136 -14.504 0.286 403 H GLY 57 H GLY 57 4.902 -13.859 4.928 404 HA2 GLY 57 1HA GLY 57 6.250 -14.016 6.808 405 HA3 GLY 57 2HA GLY 57 7.610 -14.394 5.761 406 H SER 58 H SER 58 7.456 -12.098 4.097 407 HA SER 58 HA SER 58 8.031 -9.931 6.006 408 HB2 SER 58 1HB SER 58 9.793 -9.341 4.067 409 HB3 SER 58 2HB SER 58 10.204 -10.368 5.440 410 HG SER 58 HG SER 58 9.636 -11.085 2.783 411 HA PRO 59 HA PRO 59 5.172 -7.737 3.424 412 HB2 PRO 59 1HB PRO 59 5.509 -5.303 4.579 413 HB3 PRO 59 2HB PRO 59 4.575 -6.602 5.330 414 HG2 PRO 59 1HG PRO 59 7.394 -5.745 5.860 415 HG3 PRO 59 2HG PRO 59 6.124 -6.189 7.015 416 HD2 PRO 59 1HD PRO 59 8.096 -7.897 6.290 417 HD3 PRO 59 2HD PRO 59 6.462 -8.449 6.710 418 H TYR 60 H TYR 60 8.341 -7.847 3.039 419 HA TYR 60 HA TYR 60 8.485 -5.487 1.283 420 HB2 TYR 60 1HB TYR 60 10.887 -7.063 2.154 421 HB3 TYR 60 2HB TYR 60 10.796 -5.387 1.624 422 HD1 TYR 60 1HD TYR 60 9.258 -3.863 3.201 423 HD2 TYR 60 2HD TYR 60 11.215 -7.445 4.403 424 HE1 TYR 60 1HE TYR 60 9.162 -3.122 5.545 425 HE2 TYR 60 2HE TYR 60 11.124 -6.715 6.749 426 HH TYR 60 HH TYR 60 9.653 -5.136 8.130 427 H ALA 61 H ALA 61 7.533 -8.446 0.952 428 HA ALA 61 HA ALA 61 9.267 -9.413 -1.145 429 HB1 ALA 61 3HB ALA 61 6.568 -10.575 -0.708 430 HB2 ALA 61 1HB ALA 61 8.106 -11.373 -1.037 431 HB3 ALA 61 2HB ALA 61 7.766 -10.743 0.575 432 H GLU 62 H GLU 62 6.282 -7.628 -0.879 433 HA GLU 62 HA GLU 62 6.370 -7.065 -3.726 434 HB2 GLU 62 1HB GLU 62 4.131 -8.552 -2.393 435 HB3 GLU 62 2HB GLU 62 3.803 -7.511 -3.771 436 HG2 GLU 62 1HG GLU 62 5.625 -9.903 -3.704 437 HG3 GLU 62 2HG GLU 62 4.071 -9.768 -4.527 438 H THR 63 H THR 63 6.148 -4.949 -3.942 439 HA THR 63 HA THR 63 4.625 -3.473 -1.898 440 HB THR 63 HB THR 63 6.039 -1.531 -3.169 441 HG1 THR 63 1HG THR 63 7.661 -2.404 -4.194 442 HG21 THR 63 3HG2 THR 63 6.528 -3.174 -0.732 443 HG22 THR 63 1HG2 THR 63 6.136 -1.461 -0.876 444 HG23 THR 63 2HG2 THR 63 7.768 -2.026 -1.236 445 H VAL 64 H VAL 64 2.891 -2.317 -2.486 446 HA VAL 64 HA VAL 64 2.532 -1.520 -5.268 447 HB VAL 64 HB VAL 64 0.725 -3.427 -3.817 448 HG11 VAL 64 1HG1 VAL 64 -0.031 -1.449 -5.948 449 HG12 VAL 64 2HG1 VAL 64 -0.925 -2.950 -5.698 450 HG13 VAL 64 3HG1 VAL 64 -0.822 -1.757 -4.403 451 HG21 VAL 64 3HG2 VAL 64 2.064 -4.645 -5.231 452 HG22 VAL 64 1HG2 VAL 64 0.704 -4.291 -6.297 453 HG23 VAL 64 2HG2 VAL 64 2.186 -3.342 -6.414 454 H ARG 65 H ARG 65 2.208 0.597 -5.087 455 HA ARG 65 HA ARG 65 0.646 1.621 -2.826 456 HB2 ARG 65 1HB ARG 65 1.904 3.501 -2.895 457 HB3 ARG 65 2HB ARG 65 3.034 2.471 -3.763 458 HG2 ARG 65 1HG ARG 65 1.870 3.266 -5.885 459 HG3 ARG 65 2HG ARG 65 1.136 4.509 -4.871 460 HD2 ARG 65 1HD ARG 65 3.380 5.251 -4.190 461 HD3 ARG 65 2HD ARG 65 4.090 4.033 -5.250 462 HE ARG 65 HE ARG 65 2.326 5.704 -6.701 463 HH11 ARG 65 1HH1 ARG 65 5.479 5.667 -5.226 464 HH12 ARG 65 2HH1 ARG 65 6.140 6.852 -6.303 465 HH21 ARG 65 1HH2 ARG 65 3.185 7.265 -8.125 466 HH22 ARG 65 2HH2 ARG 65 4.834 7.761 -7.951 467 H VAL 66 H VAL 66 -1.325 2.466 -3.090 468 HA VAL 66 HA VAL 66 -2.362 2.688 -5.831 469 HB VAL 66 HB VAL 66 -4.620 2.704 -4.665 470 HG11 VAL 66 1HG1 VAL 66 -4.126 0.732 -5.773 471 HG12 VAL 66 2HG1 VAL 66 -2.759 0.362 -4.720 472 HG13 VAL 66 3HG1 VAL 66 -4.409 0.178 -4.123 473 HG21 VAL 66 3HG2 VAL 66 -3.710 1.269 -2.348 474 HG22 VAL 66 1HG2 VAL 66 -3.002 2.884 -2.384 475 HG23 VAL 66 2HG2 VAL 66 -4.754 2.687 -2.445 476 H ASP 67 H ASP 67 -4.442 4.301 -5.663 477 HA ASP 67 HA ASP 67 -3.237 6.896 -5.268 478 HB2 ASP 67 1HB ASP 67 -6.061 6.271 -6.146 479 HB3 ASP 67 2HB ASP 67 -5.184 7.783 -6.371 480 H SER 68 H SER 68 -4.801 8.640 -4.328 481 HA SER 68 HA SER 68 -5.241 7.907 -1.581 482 HB2 SER 68 1HB SER 68 -5.524 10.217 -1.160 483 HB3 SER 68 2HB SER 68 -4.312 10.140 -2.439 484 HG SER 68 HG SER 68 -5.909 10.656 -3.934 485 H LYS 69 H LYS 69 -6.994 7.016 -3.983 486 HA LYS 69 HA LYS 69 -9.588 7.798 -2.829 487 HB2 LYS 69 1HB LYS 69 -9.463 6.485 -5.491 488 HB3 LYS 69 2HB LYS 69 -10.540 7.749 -4.909 489 HG2 LYS 69 1HG LYS 69 -8.288 9.151 -4.936 490 HG3 LYS 69 2HG LYS 69 -7.866 7.958 -6.166 491 HD2 LYS 69 1HD LYS 69 -8.849 9.792 -7.307 492 HD3 LYS 69 2HD LYS 69 -10.060 8.507 -7.284 493 HE2 LYS 69 1HE LYS 69 -11.361 10.266 -6.639 494 HE3 LYS 69 2HE LYS 69 -10.793 9.730 -5.058 495 HZ1 LYS 69 3HZ LYS 69 -10.181 11.855 -4.827 496 HZ2 LYS 69 1HZ LYS 69 -10.227 12.172 -6.488 497 HZ3 LYS 69 2HZ LYS 69 -8.862 11.445 -5.804 498 H GLN 70 H GLN 70 -7.650 5.088 -3.981 499 HA GLN 70 HA GLN 70 -9.536 3.049 -3.631 500 HB2 GLN 70 1HB GLN 70 -6.591 2.676 -3.140 501 HB3 GLN 70 2HB GLN 70 -7.742 1.528 -3.811 502 HG2 GLN 70 1HG GLN 70 -6.622 3.983 -5.134 503 HG3 GLN 70 2HG GLN 70 -6.350 2.298 -5.577 504 HE21 GLN 70 1HE2 GLN 70 -8.990 4.625 -5.144 505 HE22 GLN 70 2HE2 GLN 70 -9.925 4.076 -6.488 506 H ARG 71 H ARG 71 -10.538 2.422 -1.848 507 HA ARG 71 HA ARG 71 -9.325 2.987 0.755 508 HB2 ARG 71 1HB ARG 71 -11.523 3.799 0.705 509 HB3 ARG 71 2HB ARG 71 -12.123 2.386 -0.153 510 HG2 ARG 71 1HG ARG 71 -12.215 1.097 1.755 511 HG3 ARG 71 2HG ARG 71 -11.022 2.083 2.603 512 HD2 ARG 71 1HD ARG 71 -13.189 2.482 3.565 513 HD3 ARG 71 2HD ARG 71 -12.677 3.925 2.690 514 HE ARG 71 HE ARG 71 -14.388 3.593 1.177 515 HH11 ARG 71 1HH1 ARG 71 -14.095 0.838 3.285 516 HH12 ARG 71 2HH1 ARG 71 -15.593 0.129 2.781 517 HH21 ARG 71 1HH2 ARG 71 -16.362 2.670 0.505 518 HH22 ARG 71 2HH2 ARG 71 -16.882 1.171 1.199 519 H TYR 72 H TYR 72 -9.216 0.551 -1.371 520 HA TYR 72 HA TYR 72 -8.356 -1.362 0.543 521 HB2 TYR 72 1HB TYR 72 -10.059 -2.919 0.572 522 HB3 TYR 72 2HB TYR 72 -10.986 -1.423 0.522 523 HD1 TYR 72 2HD TYR 72 -9.851 -4.319 -1.449 524 HD2 TYR 72 1HD TYR 72 -12.318 -0.853 -1.388 525 HE1 TYR 72 2HE TYR 72 -10.990 -5.102 -3.483 526 HE2 TYR 72 1HE TYR 72 -13.465 -1.627 -3.421 527 HH TYR 72 HH TYR 72 -12.295 -3.964 -5.416 528 H TYR 73 H TYR 73 -7.308 -3.132 -0.404 529 HA TYR 73 HA TYR 73 -7.180 -3.140 -3.342 530 HB2 TYR 73 1HB TYR 73 -5.231 -1.912 -2.447 531 HB3 TYR 73 2HB TYR 73 -4.794 -3.323 -1.491 532 HD1 TYR 73 2HD TYR 73 -4.154 -5.450 -2.695 533 HD2 TYR 73 1HD TYR 73 -4.568 -1.721 -4.702 534 HE1 TYR 73 2HE TYR 73 -2.836 -6.324 -4.579 535 HE2 TYR 73 1HE TYR 73 -3.252 -2.585 -6.592 536 HH TYR 73 HH TYR 73 -1.495 -4.401 -6.933 537 H SER 74 H SER 74 -7.295 -5.102 -4.242 538 HA SER 74 HA SER 74 -7.358 -7.419 -2.451 539 HB2 SER 74 1HB SER 74 -8.251 -7.229 -5.337 540 HB3 SER 74 2HB SER 74 -8.554 -8.566 -4.227 541 HG SER 74 HG SER 74 -9.398 -6.255 -3.143 542 H ILE 75 H ILE 75 -5.339 -8.187 -2.189 543 HA ILE 75 HA ILE 75 -3.408 -8.222 -4.312 544 HB ILE 75 HB ILE 75 -3.270 -9.657 -1.660 545 HG12 ILE 75 1HG1 ILE 75 -2.211 -6.913 -2.366 546 HG13 ILE 75 2HG1 ILE 75 -3.682 -7.200 -1.443 547 HG21 ILE 75 1HG2 ILE 75 -1.076 -8.753 -3.519 548 HG22 ILE 75 2HG2 ILE 75 -0.877 -9.633 -2.004 549 HG23 ILE 75 3HG2 ILE 75 -1.669 -10.408 -3.376 550 HD11 ILE 75 3HD1 ILE 75 -2.400 -8.273 0.308 551 HD12 ILE 75 1HD1 ILE 75 -0.919 -8.065 -0.627 552 HD13 ILE 75 2HD1 ILE 75 -1.780 -6.654 -0.013 553 H GLU 76 H GLU 76 -3.138 -9.737 -5.808 554 HA GLU 76 HA GLU 76 -4.235 -12.424 -5.301 555 HB2 GLU 76 1HB GLU 76 -4.187 -11.009 -7.971 556 HB3 GLU 76 2HB GLU 76 -4.882 -12.588 -7.631 557 HG2 GLU 76 1HG GLU 76 -6.294 -11.176 -5.891 558 HG3 GLU 76 2HG GLU 76 -5.927 -9.882 -7.031 559 H ARG 77 H ARG 77 -3.314 -13.948 -7.165 560 HA ARG 77 HA ARG 77 -1.513 -15.033 -8.041 561 HB2 ARG 77 1HB ARG 77 -0.034 -12.410 -7.794 562 HB3 ARG 77 2HB ARG 77 0.385 -13.771 -8.825 563 HG2 ARG 77 1HG ARG 77 -2.226 -12.337 -9.132 564 HG3 ARG 77 2HG ARG 77 -0.749 -11.741 -9.892 565 HD2 ARG 77 1HD ARG 77 -0.495 -14.062 -10.882 566 HD3 ARG 77 2HD ARG 77 -2.145 -14.366 -10.341 567 HE ARG 77 HE ARG 77 -2.367 -12.074 -11.763 568 HH11 ARG 77 1HH1 ARG 77 -0.990 -15.197 -12.445 569 HH12 ARG 77 2HH1 ARG 77 -1.317 -15.116 -14.145 570 HH21 ARG 77 1HH2 ARG 77 -2.803 -11.954 -13.999 571 HH22 ARG 77 2HH2 ARG 77 -2.348 -13.270 -15.027 572 H LEU 78 H LEU 78 -1.981 -15.298 -5.347 573 HA LEU 78 HA LEU 78 0.742 -15.400 -4.223 574 HB2 LEU 78 1HB LEU 78 -1.773 -15.332 -2.585 575 HB3 LEU 78 2HB LEU 78 -0.116 -15.044 -2.059 576 HG LEU 78 HG LEU 78 -1.545 -13.193 -3.950 577 HD11 LEU 78 1HD1 LEU 78 -2.706 -13.559 -1.684 578 HD12 LEU 78 2HD1 LEU 78 -2.350 -11.907 -2.190 579 HD13 LEU 78 3HD1 LEU 78 -1.319 -12.708 -1.003 580 HD21 LEU 78 3HD2 LEU 78 0.236 -11.773 -2.421 581 HD22 LEU 78 1HD2 LEU 78 0.529 -12.370 -4.054 582 HD23 LEU 78 2HD2 LEU 78 1.069 -13.309 -2.662 583 H GLU 79 H GLU 79 0.727 -17.092 -2.306 584 HA GLU 79 HA GLU 79 -0.167 -19.604 -3.509 585 HB2 GLU 79 1HB GLU 79 1.489 -20.693 -2.234 586 HB3 GLU 79 2HB GLU 79 2.241 -19.201 -2.782 587 HG2 GLU 79 1HG GLU 79 1.652 -18.201 -0.562 588 HG3 GLU 79 2HG GLU 79 1.163 -19.813 -0.044 589 H SER 80 H SER 80 -0.532 -21.342 -1.620 590 HA SER 80 HA SER 80 -2.571 -20.186 0.169 591 HB2 SER 80 1HB SER 80 -2.580 -22.732 -1.435 592 HB3 SER 80 2HB SER 80 -3.595 -22.560 -0.004 593 HG SER 80 HG SER 80 -4.835 -21.859 -1.661 594 H SER 81 H SER 81 -2.601 -20.818 2.280 595 HA SER 81 HA SER 81 -1.952 -21.804 4.235 596 HB2 SER 81 1HB SER 81 -1.913 -23.908 2.659 597 HB3 SER 81 2HB SER 81 -0.164 -23.738 2.807 598 HG SER 81 HG SER 81 -0.809 -25.056 4.455 599 H SER 82 H SER 82 -0.725 -19.544 3.609 600 HA SER 82 HA SER 82 1.909 -19.894 4.761 601 HB2 SER 82 1HB SER 82 1.951 -19.940 2.107 602 HB3 SER 82 2HB SER 82 1.852 -18.191 2.308 603 HG SER 82 HG SER 82 3.985 -19.740 2.539 604 H HIS 83 H HIS 83 2.734 -18.008 5.718 605 HA HIS 83 HA HIS 83 0.710 -16.094 6.460 606 HB2 HIS 83 1HB HIS 83 2.289 -16.958 8.133 607 HB3 HIS 83 2HB HIS 83 3.631 -16.258 7.233 608 HD1 HIS 83 1HD HIS 83 4.299 -14.754 9.219 609 HD2 HIS 83 2HD HIS 83 0.447 -14.088 7.813 610 HE1 HIS 83 1HE HIS 83 3.560 -12.598 10.281 611 HE2 HIS 83 2HE HIS 83 1.195 -12.259 9.483 612 H TYR 84 H TYR 84 0.460 -14.071 5.727 613 HA TYR 84 HA TYR 84 2.537 -12.985 3.941 614 HB2 TYR 84 1HB TYR 84 -0.389 -13.285 3.530 615 HB3 TYR 84 2HB TYR 84 0.345 -11.794 2.951 616 HD1 TYR 84 1HD TYR 84 0.582 -15.495 2.714 617 HD2 TYR 84 2HD TYR 84 1.516 -11.752 0.918 618 HE1 TYR 84 1HE TYR 84 1.333 -16.662 0.684 619 HE2 TYR 84 2HE TYR 84 2.268 -12.909 -1.117 620 HH TYR 84 HH TYR 84 2.254 -16.454 -1.327 621 H VAL 85 H VAL 85 3.478 -11.462 5.168 622 HA VAL 85 HA VAL 85 2.036 -9.864 7.057 623 HB VAL 85 HB VAL 85 4.797 -9.273 6.007 624 HG11 VAL 85 1HG1 VAL 85 3.972 -7.527 7.383 625 HG12 VAL 85 2HG1 VAL 85 3.338 -8.669 8.570 626 HG13 VAL 85 3HG1 VAL 85 5.080 -8.469 8.380 627 HG21 VAL 85 3HG2 VAL 85 4.891 -11.574 6.591 628 HG22 VAL 85 1HG2 VAL 85 5.590 -10.679 7.941 629 HG23 VAL 85 2HG2 VAL 85 3.947 -11.309 8.057 630 H ILE 86 H ILE 86 0.763 -8.227 6.522 631 HA ILE 86 HA ILE 86 1.329 -6.727 4.058 632 HB ILE 86 HB ILE 86 -1.231 -6.722 5.656 633 HG12 ILE 86 1HG1 ILE 86 -0.951 -8.116 3.026 634 HG13 ILE 86 2HG1 ILE 86 -0.391 -8.934 4.480 635 HG21 ILE 86 1HG2 ILE 86 -1.862 -6.048 3.098 636 HG22 ILE 86 2HG2 ILE 86 -1.562 -4.895 4.397 637 HG23 ILE 86 3HG2 ILE 86 -0.268 -5.313 3.274 638 HD11 ILE 86 3HD1 ILE 86 -2.602 -8.753 5.456 639 HD12 ILE 86 1HD1 ILE 86 -3.172 -7.875 4.037 640 HD13 ILE 86 2HD1 ILE 86 -2.674 -9.560 3.889 641 H SER 87 H SER 87 2.033 -4.700 4.173 642 HA SER 87 HA SER 87 1.603 -3.194 6.665 643 HB2 SER 87 1HB SER 87 3.825 -2.473 6.757 644 HB3 SER 87 2HB SER 87 3.987 -4.160 6.269 645 HG SER 87 HG SER 87 4.128 -3.391 4.088 646 H LEU 88 H LEU 88 0.154 -1.701 6.067 647 HA LEU 88 HA LEU 88 0.498 -0.328 3.498 648 HB2 LEU 88 1HB LEU 88 -1.691 -1.110 3.674 649 HB3 LEU 88 2HB LEU 88 -1.809 -0.672 5.377 650 HG LEU 88 HG LEU 88 -1.640 1.770 4.476 651 HD11 LEU 88 1HD1 LEU 88 -2.439 0.211 2.034 652 HD12 LEU 88 2HD1 LEU 88 -1.139 1.390 2.201 653 HD13 LEU 88 3HD1 LEU 88 -2.821 1.920 2.249 654 HD21 LEU 88 3HD2 LEU 88 -3.983 1.929 4.524 655 HD22 LEU 88 1HD2 LEU 88 -3.596 0.557 5.563 656 HD23 LEU 88 2HD2 LEU 88 -4.192 0.283 3.925 657 H LYS 89 H LYS 89 0.957 1.800 3.353 658 HA LYS 89 HA LYS 89 0.886 3.452 5.764 659 HB2 LYS 89 1HB LYS 89 3.131 4.123 5.657 660 HB3 LYS 89 2HB LYS 89 3.193 2.382 5.421 661 HG2 LYS 89 1HG LYS 89 3.583 2.614 3.102 662 HG3 LYS 89 2HG LYS 89 3.181 4.332 3.136 663 HD2 LYS 89 1HD LYS 89 5.464 4.467 3.131 664 HD3 LYS 89 2HD LYS 89 5.174 4.402 4.871 665 HE2 LYS 89 1HE LYS 89 5.567 1.979 4.831 666 HE3 LYS 89 2HE LYS 89 5.880 2.064 3.098 667 HZ1 LYS 89 3HZ LYS 89 7.981 2.526 3.557 668 HZ2 LYS 89 1HZ LYS 89 7.665 2.506 5.219 669 HZ3 LYS 89 2HZ LYS 89 7.513 3.947 4.347 670 H ALA 90 H ALA 90 0.591 5.633 5.384 671 HA ALA 90 HA ALA 90 -0.461 6.307 2.785 672 HB1 ALA 90 3HB ALA 90 -1.118 8.406 3.804 673 HB2 ALA 90 1HB ALA 90 -1.563 7.058 4.851 674 HB3 ALA 90 2HB ALA 90 -0.150 8.043 5.232 675 H PHE 91 H PHE 91 0.270 7.979 1.433 676 HA PHE 91 HA PHE 91 2.913 9.101 1.983 677 HB2 PHE 91 1HB PHE 91 3.867 8.394 -0.076 678 HB3 PHE 91 2HB PHE 91 3.142 6.958 0.641 679 HD1 PHE 91 1HD PHE 91 2.616 9.600 -1.897 680 HD2 PHE 91 2HD PHE 91 1.505 5.736 -0.502 681 HE1 PHE 91 1HE PHE 91 1.326 9.231 -3.959 682 HE2 PHE 91 2HE PHE 91 0.213 5.360 -2.562 683 HZ PHE 91 HZ PHE 91 0.123 7.108 -4.294 684 H ASN 92 H ASN 92 3.471 10.887 0.538 685 HA ASN 92 HA ASN 92 1.514 12.002 -1.213 686 HB2 ASN 92 1HB ASN 92 0.843 13.917 0.050 687 HB3 ASN 92 2HB ASN 92 0.560 12.509 1.070 688 HD21 ASN 92 1HD2 ASN 92 0.608 14.729 2.400 689 HD22 ASN 92 2HD2 ASN 92 2.098 14.978 3.239 690 H ASN 93 H ASN 93 2.189 14.558 -1.419 691 HA ASN 93 HA ASN 93 4.605 14.592 -2.752 692 HB2 ASN 93 1HB ASN 93 2.784 16.677 -1.671 693 HB3 ASN 93 2HB ASN 93 4.410 17.192 -2.113 694 HD21 ASN 93 1HD2 ASN 93 1.451 17.225 -3.228 695 HD22 ASN 93 2HD2 ASN 93 1.714 17.001 -4.921 696 H ALA 94 H ALA 94 4.035 14.671 0.616 697 HA ALA 94 HA ALA 94 6.585 15.880 1.283 698 HB1 ALA 94 3HB ALA 94 5.786 16.106 3.379 699 HB2 ALA 94 1HB ALA 94 4.231 15.842 2.589 700 HB3 ALA 94 2HB ALA 94 5.053 14.502 3.389 701 H GLY 95 H GLY 95 5.222 12.710 0.879 702 HA2 GLY 95 1HA GLY 95 7.126 11.083 0.373 703 HA3 GLY 95 2HA GLY 95 7.673 11.504 1.989 704 H GLU 96 H GLU 96 7.312 9.843 3.299 705 HA GLU 96 HA GLU 96 4.679 8.528 3.167 706 HB2 GLU 96 1HB GLU 96 7.250 7.176 3.989 707 HB3 GLU 96 2HB GLU 96 5.685 6.422 3.719 708 HG2 GLU 96 1HG GLU 96 5.819 6.860 1.362 709 HG3 GLU 96 2HG GLU 96 7.306 7.781 1.581 710 H GLY 97 H GLY 97 3.755 7.865 5.139 711 HA2 GLY 97 1HA GLY 97 4.937 9.192 7.500 712 HA3 GLY 97 2HA GLY 97 3.208 9.036 7.224 713 H VAL 98 H VAL 98 3.955 8.235 9.602 714 HA VAL 98 HA VAL 98 5.036 5.908 10.286 715 HB VAL 98 HB VAL 98 3.833 7.178 11.931 716 HG11 VAL 98 1HG1 VAL 98 1.773 7.184 10.034 717 HG12 VAL 98 2HG1 VAL 98 1.135 6.323 11.436 718 HG13 VAL 98 3HG1 VAL 98 1.776 7.956 11.619 719 HG21 VAL 98 3HG2 VAL 98 3.855 5.242 13.040 720 HG22 VAL 98 1HG2 VAL 98 2.164 5.064 12.572 721 HG23 VAL 98 2HG2 VAL 98 3.432 4.324 11.595 722 HA PRO 99 HA PRO 99 3.077 3.078 7.372 723 HB2 PRO 99 1HB PRO 99 4.865 1.076 7.779 724 HB3 PRO 99 2HB PRO 99 5.192 2.457 6.726 725 HG2 PRO 99 1HG PRO 99 6.059 1.983 9.552 726 HG3 PRO 99 2HG PRO 99 6.992 2.628 8.188 727 HD2 PRO 99 1HD PRO 99 5.917 4.217 10.099 728 HD3 PRO 99 2HD PRO 99 6.098 4.740 8.412 729 H LEU 100 H LEU 100 1.604 1.490 7.695 730 HA LEU 100 HA LEU 100 1.310 0.481 10.441 731 HB2 LEU 100 1HB LEU 100 -0.525 1.833 9.206 732 HB3 LEU 100 2HB LEU 100 -0.819 0.325 8.342 733 HG LEU 100 HG LEU 100 -1.012 -0.651 10.780 734 HD11 LEU 100 1HD1 LEU 100 -2.384 1.459 11.876 735 HD12 LEU 100 2HD1 LEU 100 -0.955 2.232 11.189 736 HD13 LEU 100 3HD1 LEU 100 -0.774 0.916 12.349 737 HD21 LEU 100 3HD2 LEU 100 -2.757 -0.151 8.821 738 HD22 LEU 100 1HD2 LEU 100 -3.372 0.971 10.035 739 HD23 LEU 100 2HD2 LEU 100 -3.246 -0.749 10.407 740 H TYR 101 H TYR 101 1.731 -1.585 10.825 741 HA TYR 101 HA TYR 101 2.082 -3.402 8.562 742 HB2 TYR 101 1HB TYR 101 3.001 -3.424 11.421 743 HB3 TYR 101 2HB TYR 101 3.005 -4.907 10.473 744 HD1 TYR 101 1HD TYR 101 4.263 -1.401 10.424 745 HD2 TYR 101 2HD TYR 101 4.821 -5.406 9.101 746 HE1 TYR 101 1HE TYR 101 6.439 -0.774 9.465 747 HE2 TYR 101 2HE TYR 101 6.999 -4.790 8.139 748 HH TYR 101 HH TYR 101 8.725 -2.350 8.905 749 H GLU 102 H GLU 102 1.361 -5.684 8.863 750 HA GLU 102 HA GLU 102 -0.803 -6.217 10.664 751 HB2 GLU 102 1HB GLU 102 -1.735 -4.800 8.684 752 HB3 GLU 102 2HB GLU 102 -1.580 -6.292 7.768 753 HG2 GLU 102 1HG GLU 102 -3.830 -5.727 8.886 754 HG3 GLU 102 2HG GLU 102 -3.208 -7.373 8.989 755 H SER 103 H SER 103 -1.916 -8.378 9.923 756 HA SER 103 HA SER 103 0.079 -10.145 8.689 757 HB2 SER 103 1HB SER 103 -0.496 -11.860 10.461 758 HB3 SER 103 2HB SER 103 0.431 -10.474 11.033 759 HG SER 103 HG SER 103 -1.933 -9.668 11.394 760 H ALA 104 H ALA 104 -0.749 -11.979 7.659 761 HA ALA 104 HA ALA 104 -3.520 -12.655 7.717 762 HB1 ALA 104 3HB ALA 104 -2.579 -11.438 5.132 763 HB2 ALA 104 1HB ALA 104 -4.211 -11.943 5.569 764 HB3 ALA 104 2HB ALA 104 -3.485 -10.536 6.347 765 H THR 105 H THR 105 -3.331 -14.792 7.650 766 HA THR 105 HA THR 105 -1.284 -16.010 5.944 767 HB THR 105 HB THR 105 -3.010 -17.417 7.983 768 HG1 THR 105 1HG THR 105 -0.459 -16.180 8.294 769 HG21 THR 105 3HG2 THR 105 -1.285 -19.113 7.922 770 HG22 THR 105 1HG2 THR 105 -0.322 -18.141 6.810 771 HG23 THR 105 2HG2 THR 105 -1.865 -18.814 6.284 772 H THR 106 H THR 106 -1.905 -16.573 3.970 773 HA THR 106 HA THR 106 -4.406 -16.629 2.897 774 HB THR 106 HB THR 106 -3.445 -18.455 1.309 775 HG1 THR 106 1HG THR 106 -1.461 -19.100 1.708 776 HG21 THR 106 3HG2 THR 106 -2.611 -15.630 1.670 777 HG22 THR 106 1HG2 THR 106 -3.442 -16.400 0.319 778 HG23 THR 106 2HG2 THR 106 -1.701 -16.601 0.514 779 H ARG 107 H ARG 107 -5.562 -18.630 2.000 780 HA ARG 107 HA ARG 107 -6.128 -20.386 4.264 781 HB2 ARG 107 1HB ARG 107 -7.670 -20.314 1.683 782 HB3 ARG 107 2HB ARG 107 -8.220 -20.816 3.276 783 HG2 ARG 107 1HG ARG 107 -7.445 -17.984 2.640 784 HG3 ARG 107 2HG ARG 107 -9.086 -18.604 2.442 785 HD2 ARG 107 1HD ARG 107 -7.504 -18.606 5.011 786 HD3 ARG 107 2HD ARG 107 -8.779 -17.462 4.595 787 HE ARG 107 HE ARG 107 -9.535 -20.259 4.548 788 HH11 ARG 107 1HH1 ARG 107 -9.396 -17.293 6.366 789 HH12 ARG 107 2HH1 ARG 107 -10.639 -17.764 7.478 790 HH21 ARG 107 1HH2 ARG 107 -11.171 -20.890 6.006 791 HH22 ARG 107 2HH2 ARG 107 -11.647 -19.811 7.273 792 H SER 108 H SER 108 -6.907 -22.678 3.476 793 HA SER 108 HA SER 108 -4.671 -23.789 1.930 794 HB2 SER 108 1HB SER 108 -6.352 -24.803 4.173 795 HB3 SER 108 2HB SER 108 -5.741 -25.982 3.012 796 HG SER 108 HG SER 108 -3.634 -24.832 3.426 797 H ILE 109 H ILE 109 -5.014 -24.565 -0.039 798 HA ILE 109 HA ILE 109 -7.191 -24.319 -1.583 799 HB ILE 109 HB ILE 109 -5.324 -26.693 -1.632 800 HG12 ILE 109 1HG1 ILE 109 -4.241 -24.464 -1.830 801 HG13 ILE 109 2HG1 ILE 109 -4.079 -25.434 -3.289 802 HG21 ILE 109 1HG2 ILE 109 -6.012 -27.036 -3.915 803 HG22 ILE 109 2HG2 ILE 109 -7.431 -27.075 -2.870 804 HG23 ILE 109 3HG2 ILE 109 -7.088 -25.642 -3.838 805 HD11 ILE 109 3HD1 ILE 109 -5.823 -24.166 -4.367 806 HD12 ILE 109 1HD1 ILE 109 -6.105 -23.247 -2.889 807 HD13 ILE 109 2HD1 ILE 109 -4.577 -23.078 -3.755 808 H THR 110 H THR 110 -9.151 -25.215 -1.866 809 HA THR 110 HA THR 110 -9.936 -27.338 0.004 810 HB THR 110 HB THR 110 -12.265 -26.652 -0.477 811 HG1 THR 110 1HG THR 110 -11.903 -25.779 -2.577 812 HG21 THR 110 3HG2 THR 110 -10.931 -24.092 0.204 813 HG22 THR 110 1HG2 THR 110 -10.559 -25.486 1.216 814 HG23 THR 110 2HG2 THR 110 -12.229 -24.948 1.036 815 H SER 111 H SER 111 -11.834 -28.711 -0.914 816 HA SER 111 HA SER 111 -10.896 -29.816 -3.463 817 HB2 SER 111 1HB SER 111 -12.514 -30.984 -1.199 818 HB3 SER 111 2HB SER 111 -12.353 -31.794 -2.757 819 HG SER 111 HG SER 111 -9.935 -31.234 -2.177 820 H GLY 112 H GLY 112 -11.937 -29.034 -5.178 821 HA2 GLY 112 1HA GLY 112 -14.666 -29.492 -5.630 822 HA3 GLY 112 2HA GLY 112 -14.476 -27.819 -5.125 823 HA PRO 113 HA PRO 113 -13.368 -28.635 -9.733 824 HB2 PRO 113 1HB PRO 113 -15.775 -28.202 -10.914 825 HB3 PRO 113 2HB PRO 113 -15.222 -29.806 -10.419 826 HG2 PRO 113 1HG PRO 113 -17.088 -27.930 -9.019 827 HG3 PRO 113 2HG PRO 113 -17.222 -29.685 -9.239 828 HD2 PRO 113 1HD PRO 113 -16.357 -28.569 -6.929 829 HD3 PRO 113 2HD PRO 113 -15.768 -30.140 -7.510 830 H SER 114 H SER 114 -12.299 -26.621 -9.157 831 HA SER 114 HA SER 114 -11.939 -24.369 -9.246 832 HB2 SER 114 1HB SER 114 -12.137 -24.876 -11.644 833 HB3 SER 114 2HB SER 114 -13.879 -24.614 -11.560 834 HG SER 114 HG SER 114 -13.537 -22.467 -11.179 835 H SER 115 H SER 115 -13.816 -25.042 -7.325 836 HA SER 115 HA SER 115 -15.123 -22.549 -6.933 837 HB2 SER 115 1HB SER 115 -17.458 -23.459 -6.853 838 HB3 SER 115 2HB SER 115 -16.770 -23.404 -8.476 839 HG SER 115 HG SER 115 -17.880 -25.416 -7.778 840 H GLY 116 H GLY 116 -16.458 -22.572 -4.896 841 HA2 GLY 116 1HA GLY 116 -16.890 -24.296 -2.986 842 HA3 GLY 116 2HA GLY 116 -15.133 -24.338 -2.961 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -18.117 12.673 -5.131 2 HA2 GLY 1 1HA GLY 1 -20.305 12.591 -3.146 3 HA3 GLY 1 2HA GLY 1 -18.786 13.429 -2.869 4 H SER 2 H SER 2 -21.844 14.089 -3.279 5 HA SER 2 HA SER 2 -22.310 15.696 -5.415 6 HB2 SER 2 1HB SER 2 -23.133 15.938 -2.540 7 HB3 SER 2 2HB SER 2 -23.600 17.186 -3.694 8 HG SER 2 HG SER 2 -25.105 15.888 -4.339 9 H SER 3 H SER 3 -20.672 16.705 -2.423 10 HA SER 3 HA SER 3 -20.111 19.335 -3.359 11 HB2 SER 3 1HB SER 3 -18.624 19.471 -1.376 12 HB3 SER 3 2HB SER 3 -20.231 18.871 -0.970 13 HG SER 3 HG SER 3 -18.990 16.718 -1.454 14 H GLY 4 H GLY 4 -19.122 19.079 -5.389 15 HA2 GLY 4 1HA GLY 4 -16.678 17.565 -5.641 16 HA3 GLY 4 2HA GLY 4 -17.424 18.561 -6.882 17 H SER 5 H SER 5 -14.891 18.308 -4.684 18 HA SER 5 HA SER 5 -14.405 21.081 -4.221 19 HB2 SER 5 1HB SER 5 -12.192 20.321 -3.407 20 HB3 SER 5 2HB SER 5 -13.513 19.387 -2.703 21 HG SER 5 HG SER 5 -11.435 18.520 -4.145 22 H SER 6 H SER 6 -12.129 21.951 -4.873 23 HA SER 6 HA SER 6 -12.013 21.792 -7.793 24 HB2 SER 6 1HB SER 6 -10.786 23.792 -5.878 25 HB3 SER 6 2HB SER 6 -10.689 23.878 -7.637 26 HG SER 6 HG SER 6 -12.490 24.942 -7.466 27 H GLY 7 H GLY 7 -9.735 21.920 -5.046 28 HA2 GLY 7 1HA GLY 7 -7.896 20.257 -6.656 29 HA3 GLY 7 2HA GLY 7 -7.326 21.581 -5.651 30 HA PRO 8 HA PRO 8 -7.684 17.401 -3.338 31 HB2 PRO 8 1HB PRO 8 -5.114 16.549 -3.535 32 HB3 PRO 8 2HB PRO 8 -6.367 16.098 -4.698 33 HG2 PRO 8 1HG PRO 8 -4.262 18.216 -4.908 34 HG3 PRO 8 2HG PRO 8 -4.809 17.056 -6.133 35 HD2 PRO 8 1HD PRO 8 -5.634 19.635 -6.097 36 HD3 PRO 8 2HD PRO 8 -6.667 18.310 -6.671 37 H GLU 9 H GLU 9 -6.167 20.341 -3.225 38 HA GLU 9 HA GLU 9 -5.173 19.843 -0.496 39 HB2 GLU 9 1HB GLU 9 -3.660 21.862 -0.967 40 HB3 GLU 9 2HB GLU 9 -3.231 20.329 -1.713 41 HG2 GLU 9 1HG GLU 9 -3.879 21.026 -3.826 42 HG3 GLU 9 2HG GLU 9 -4.891 22.325 -3.194 43 H ASN 10 H ASN 10 -7.578 20.333 -0.179 44 HA ASN 10 HA ASN 10 -8.204 23.179 -0.292 45 HB2 ASN 10 1HB ASN 10 -10.401 22.133 0.827 46 HB3 ASN 10 2HB ASN 10 -10.128 22.115 -0.913 47 HD21 ASN 10 1HD2 ASN 10 -10.609 20.263 1.881 48 HD22 ASN 10 2HD2 ASN 10 -10.402 18.701 1.173 49 H ASP 11 H ASP 11 -6.853 24.026 1.298 50 HA ASP 11 HA ASP 11 -6.215 24.665 3.387 51 HB2 ASP 11 1HB ASP 11 -8.856 24.895 3.374 52 HB3 ASP 11 2HB ASP 11 -8.744 23.603 4.566 53 H LEU 12 H LEU 12 -5.259 22.189 2.622 54 HA LEU 12 HA LEU 12 -5.452 20.569 5.071 55 HB2 LEU 12 1HB LEU 12 -4.356 19.715 2.400 56 HB3 LEU 12 2HB LEU 12 -4.723 18.690 3.786 57 HG LEU 12 HG LEU 12 -6.780 20.177 2.155 58 HD11 LEU 12 1HD1 LEU 12 -6.219 18.582 0.648 59 HD12 LEU 12 2HD1 LEU 12 -7.291 17.609 1.655 60 HD13 LEU 12 3HD1 LEU 12 -5.543 17.503 1.869 61 HD21 LEU 12 3HD2 LEU 12 -8.134 18.246 3.403 62 HD22 LEU 12 1HD2 LEU 12 -7.896 19.848 4.102 63 HD23 LEU 12 2HD2 LEU 12 -6.863 18.507 4.598 64 H ASP 13 H ASP 13 -3.286 19.211 5.305 65 HA ASP 13 HA ASP 13 -1.044 21.116 5.130 66 HB2 ASP 13 1HB ASP 13 -1.946 20.779 7.453 67 HB3 ASP 13 2HB ASP 13 -1.468 19.088 7.331 68 H GLU 14 H GLU 14 -0.152 20.256 3.274 69 HA GLU 14 HA GLU 14 0.370 17.422 3.067 70 HB2 GLU 14 1HB GLU 14 -0.195 18.616 1.046 71 HB3 GLU 14 2HB GLU 14 1.119 19.755 1.301 72 HG2 GLU 14 1HG GLU 14 1.768 16.865 1.067 73 HG3 GLU 14 2HG GLU 14 1.342 17.762 -0.389 74 H SER 15 H SER 15 2.166 20.358 3.776 75 HA SER 15 HA SER 15 4.763 19.689 3.529 76 HB2 SER 15 1HB SER 15 3.621 21.751 4.688 77 HB3 SER 15 2HB SER 15 3.918 20.838 6.167 78 HG SER 15 HG SER 15 6.132 20.774 5.582 79 H GLN 16 H GLN 16 2.491 18.195 5.660 80 HA GLN 16 HA GLN 16 4.655 16.591 6.852 81 HB2 GLN 16 1HB GLN 16 3.308 16.261 8.787 82 HB3 GLN 16 2HB GLN 16 3.263 17.981 8.426 83 HG2 GLN 16 1HG GLN 16 1.073 17.806 7.503 84 HG3 GLN 16 2HG GLN 16 1.121 16.046 7.589 85 HE21 GLN 16 1HE2 GLN 16 0.040 18.794 9.074 86 HE22 GLN 16 2HE2 GLN 16 -0.270 18.157 10.650 87 H VAL 17 H VAL 17 4.587 14.404 6.699 88 HA VAL 17 HA VAL 17 3.112 13.208 4.634 89 HB VAL 17 HB VAL 17 3.914 11.048 5.546 90 HG11 VAL 17 1HG1 VAL 17 5.510 11.820 4.131 91 HG12 VAL 17 2HG1 VAL 17 5.684 13.354 4.986 92 HG13 VAL 17 3HG1 VAL 17 6.443 11.896 5.626 93 HG21 VAL 17 3HG2 VAL 17 5.650 11.438 7.492 94 HG22 VAL 17 1HG2 VAL 17 4.575 12.785 7.869 95 HG23 VAL 17 2HG2 VAL 17 3.946 11.138 7.834 96 HA PRO 18 HA PRO 18 -0.765 12.221 6.453 97 HB2 PRO 18 1HB PRO 18 -1.395 9.980 5.055 98 HB3 PRO 18 2HB PRO 18 -1.440 11.599 4.346 99 HG2 PRO 18 1HG PRO 18 0.685 9.501 4.142 100 HG3 PRO 18 2HG PRO 18 0.027 10.554 2.876 101 HD2 PRO 18 1HD PRO 18 2.386 11.054 4.107 102 HD3 PRO 18 2HD PRO 18 1.322 12.349 3.521 103 H ASP 19 H ASP 19 -1.278 11.290 8.327 104 HA ASP 19 HA ASP 19 0.382 9.398 9.598 105 HB2 ASP 19 1HB ASP 19 -2.257 10.651 10.193 106 HB3 ASP 19 2HB ASP 19 -1.807 9.208 11.098 107 H GLN 20 H GLN 20 -0.512 7.309 10.534 108 HA GLN 20 HA GLN 20 -1.170 5.571 8.395 109 HB2 GLN 20 1HB GLN 20 -1.004 3.815 9.951 110 HB3 GLN 20 2HB GLN 20 0.143 5.022 10.516 111 HG2 GLN 20 1HG GLN 20 -1.813 5.829 12.004 112 HG3 GLN 20 2HG GLN 20 -2.496 4.238 11.672 113 HE21 GLN 20 1HE2 GLN 20 0.420 3.311 11.455 114 HE22 GLN 20 2HE2 GLN 20 0.876 3.044 13.099 115 HA PRO 21 HA PRO 21 -5.556 5.496 8.393 116 HB2 PRO 21 1HB PRO 21 -6.073 2.873 7.919 117 HB3 PRO 21 2HB PRO 21 -5.424 3.963 6.687 118 HG2 PRO 21 1HG PRO 21 -3.987 1.978 8.407 119 HG3 PRO 21 2HG PRO 21 -3.781 2.316 6.678 120 HD2 PRO 21 1HD PRO 21 -2.103 3.295 8.565 121 HD3 PRO 21 2HD PRO 21 -2.477 4.176 7.070 122 H SER 22 H SER 22 -6.872 5.699 10.081 123 HA SER 22 HA SER 22 -6.603 4.995 12.627 124 HB2 SER 22 1HB SER 22 -9.009 5.048 12.909 125 HB3 SER 22 2HB SER 22 -8.556 6.236 11.687 126 HG SER 22 HG SER 22 -9.150 3.690 10.763 127 H SER 23 H SER 23 -7.591 2.794 10.080 128 HA SER 23 HA SER 23 -6.849 0.525 11.683 129 HB2 SER 23 1HB SER 23 -9.717 0.679 10.739 130 HB3 SER 23 2HB SER 23 -8.977 -0.596 11.707 131 HG SER 23 HG SER 23 -10.118 0.776 13.061 132 H LEU 24 H LEU 24 -6.605 -1.384 10.466 133 HA LEU 24 HA LEU 24 -6.986 -1.104 7.564 134 HB2 LEU 24 1HB LEU 24 -4.725 -0.719 7.658 135 HB3 LEU 24 2HB LEU 24 -4.503 -1.739 9.079 136 HG LEU 24 HG LEU 24 -4.807 -3.733 7.625 137 HD11 LEU 24 1HD1 LEU 24 -4.208 -2.610 5.112 138 HD12 LEU 24 2HD1 LEU 24 -5.605 -1.739 5.744 139 HD13 LEU 24 3HD1 LEU 24 -5.656 -3.495 5.593 140 HD21 LEU 24 3HD2 LEU 24 -2.600 -2.236 6.350 141 HD22 LEU 24 1HD2 LEU 24 -2.596 -3.807 7.151 142 HD23 LEU 24 2HD2 LEU 24 -2.579 -2.328 8.112 143 H HIS 25 H HIS 25 -8.574 -2.547 7.224 144 HA HIS 25 HA HIS 25 -8.640 -5.077 8.620 145 HB2 HIS 25 1HB HIS 25 -10.784 -4.216 8.268 146 HB3 HIS 25 2HB HIS 25 -10.419 -3.718 6.619 147 HD1 HIS 25 1HD HIS 25 -12.381 -6.085 8.284 148 HD2 HIS 25 2HD HIS 25 -9.801 -6.305 5.036 149 HE1 HIS 25 1HE HIS 25 -13.049 -8.163 7.035 150 HE2 HIS 25 2HE HIS 25 -11.419 -8.321 5.121 151 H VAL 26 H VAL 26 -8.021 -7.022 7.865 152 HA VAL 26 HA VAL 26 -7.349 -7.312 5.030 153 HB VAL 26 HB VAL 26 -5.213 -8.403 5.555 154 HG11 VAL 26 1HG1 VAL 26 -4.314 -6.101 6.778 155 HG12 VAL 26 2HG1 VAL 26 -4.510 -6.347 5.041 156 HG13 VAL 26 3HG1 VAL 26 -5.797 -5.585 5.976 157 HG21 VAL 26 3HG2 VAL 26 -4.250 -8.326 7.760 158 HG22 VAL 26 1HG2 VAL 26 -5.641 -7.435 8.378 159 HG23 VAL 26 2HG2 VAL 26 -5.827 -9.109 7.855 160 H ARG 27 H ARG 27 -7.843 -9.270 4.210 161 HA ARG 27 HA ARG 27 -8.448 -11.453 6.084 162 HB2 ARG 27 1HB ARG 27 -10.219 -10.206 4.048 163 HB3 ARG 27 2HB ARG 27 -10.285 -11.956 4.203 164 HG2 ARG 27 1HG ARG 27 -10.549 -11.451 6.741 165 HG3 ARG 27 2HG ARG 27 -11.037 -9.852 6.177 166 HD2 ARG 27 1HD ARG 27 -12.789 -10.837 4.819 167 HD3 ARG 27 2HD ARG 27 -12.268 -12.456 5.283 168 HE ARG 27 HE ARG 27 -13.953 -10.717 6.772 169 HH11 ARG 27 1HH1 ARG 27 -11.488 -13.153 7.102 170 HH12 ARG 27 2HH1 ARG 27 -12.017 -13.662 8.671 171 HH21 ARG 27 1HH2 ARG 27 -14.659 -11.378 8.838 172 HH22 ARG 27 2HH2 ARG 27 -13.821 -12.652 9.657 173 HA PRO 28 HA PRO 28 -5.573 -13.274 3.126 174 HB2 PRO 28 1HB PRO 28 -5.028 -15.445 4.661 175 HB3 PRO 28 2HB PRO 28 -4.274 -13.868 4.925 176 HG2 PRO 28 1HG PRO 28 -6.589 -15.123 6.349 177 HG3 PRO 28 2HG PRO 28 -5.217 -14.222 7.021 178 HD2 PRO 28 1HD PRO 28 -7.654 -13.102 6.652 179 HD3 PRO 28 2HD PRO 28 -6.146 -12.176 6.508 180 H GLN 29 H GLN 29 -6.701 -14.046 1.421 181 HA GLN 29 HA GLN 29 -8.724 -16.098 1.794 182 HB2 GLN 29 1HB GLN 29 -7.781 -14.959 -0.832 183 HB3 GLN 29 2HB GLN 29 -9.319 -15.735 -0.477 184 HG2 GLN 29 1HG GLN 29 -8.437 -13.108 0.695 185 HG3 GLN 29 2HG GLN 29 -9.450 -13.272 -0.738 186 HE21 GLN 29 1HE2 GLN 29 -10.957 -11.992 0.536 187 HE22 GLN 29 2HE2 GLN 29 -12.004 -12.795 1.651 188 H THR 30 H THR 30 -8.599 -17.698 -0.319 189 HA THR 30 HA THR 30 -6.674 -19.604 0.340 190 HB THR 30 HB THR 30 -7.781 -19.539 -2.437 191 HG1 THR 30 1HG THR 30 -9.252 -19.455 -0.093 192 HG21 THR 30 3HG2 THR 30 -8.250 -21.984 -1.643 193 HG22 THR 30 1HG2 THR 30 -7.086 -21.594 -0.377 194 HG23 THR 30 2HG2 THR 30 -6.609 -21.501 -2.072 195 H ASN 31 H ASN 31 -6.793 -17.578 -2.599 196 HA ASN 31 HA ASN 31 -3.856 -17.770 -2.724 197 HB2 ASN 31 1HB ASN 31 -5.792 -17.730 -5.050 198 HB3 ASN 31 2HB ASN 31 -4.037 -17.709 -5.188 199 HD21 ASN 31 1HD2 ASN 31 -3.140 -19.543 -3.538 200 HD22 ASN 31 2HD2 ASN 31 -3.782 -21.106 -3.895 201 H CYS 32 H CYS 32 -6.284 -15.752 -2.053 202 HA CYS 32 HA CYS 32 -4.809 -13.422 -3.071 203 HB2 CYS 32 1HB CYS 32 -7.214 -12.345 -3.096 204 HB3 CYS 32 2HB CYS 32 -6.633 -13.274 -4.473 205 HG CYS 32 HG CYS 32 -8.128 -15.484 -4.048 206 H ILE 33 H ILE 33 -5.650 -11.367 -1.883 207 HA ILE 33 HA ILE 33 -6.516 -11.816 0.837 208 HB ILE 33 HB ILE 33 -3.790 -10.604 0.372 209 HG12 ILE 33 1HG1 ILE 33 -4.585 -13.335 1.397 210 HG13 ILE 33 2HG1 ILE 33 -3.637 -12.974 -0.042 211 HG21 ILE 33 1HG2 ILE 33 -5.507 -10.127 2.415 212 HG22 ILE 33 2HG2 ILE 33 -4.599 -11.499 3.048 213 HG23 ILE 33 3HG2 ILE 33 -3.751 -10.037 2.547 214 HD11 ILE 33 3HD1 ILE 33 -2.333 -11.786 2.168 215 HD12 ILE 33 1HD1 ILE 33 -2.743 -13.445 2.603 216 HD13 ILE 33 2HD1 ILE 33 -1.790 -13.123 1.154 217 H ILE 34 H ILE 34 -8.113 -10.353 0.803 218 HA ILE 34 HA ILE 34 -7.755 -7.773 -0.469 219 HB ILE 34 HB ILE 34 -10.103 -8.997 0.976 220 HG12 ILE 34 1HG1 ILE 34 -11.112 -8.953 -1.296 221 HG13 ILE 34 2HG1 ILE 34 -9.586 -8.352 -1.935 222 HG21 ILE 34 1HG2 ILE 34 -10.043 -6.559 1.308 223 HG22 ILE 34 2HG2 ILE 34 -9.980 -6.339 -0.440 224 HG23 ILE 34 3HG2 ILE 34 -11.403 -7.066 0.306 225 HD11 ILE 34 3HD1 ILE 34 -9.698 -10.923 -0.417 226 HD12 ILE 34 1HD1 ILE 34 -10.118 -10.856 -2.128 227 HD13 ILE 34 2HD1 ILE 34 -8.508 -10.372 -1.596 228 H MET 35 H MET 35 -7.403 -5.870 0.526 229 HA MET 35 HA MET 35 -7.523 -5.786 3.461 230 HB2 MET 35 1HB MET 35 -5.442 -4.232 3.218 231 HB3 MET 35 2HB MET 35 -5.229 -5.977 3.212 232 HG2 MET 35 1HG MET 35 -4.983 -6.017 0.845 233 HG3 MET 35 2HG MET 35 -5.453 -4.324 0.714 234 HE1 MET 35 3HE MET 35 -2.407 -2.445 2.212 235 HE2 MET 35 1HE MET 35 -3.904 -2.292 1.292 236 HE3 MET 35 2HE MET 35 -3.949 -2.856 2.963 237 H SER 36 H SER 36 -8.726 -4.156 4.166 238 HA SER 36 HA SER 36 -9.032 -1.787 2.439 239 HB2 SER 36 1HB SER 36 -11.219 -2.548 4.321 240 HB3 SER 36 2HB SER 36 -11.312 -1.735 2.759 241 HG SER 36 HG SER 36 -11.364 -4.421 3.358 242 H TRP 37 H TRP 37 -8.293 0.010 3.333 243 HA TRP 37 HA TRP 37 -8.160 0.168 6.272 244 HB2 TRP 37 1HB TRP 37 -6.297 1.778 5.932 245 HB3 TRP 37 2HB TRP 37 -5.947 0.177 5.287 246 HD1 TRP 37 HD TRP 37 -6.064 3.774 4.308 247 HE1 TRP 37 1HE TRP 37 -5.583 4.019 1.792 248 HE3 TRP 37 3HE TRP 37 -6.433 -1.135 2.929 249 HZ2 TRP 37 2HZ TRP 37 -5.387 2.352 -0.478 250 HZ3 TRP 37 3HZ TRP 37 -6.085 -1.726 0.566 251 HH2 TRP 37 HH TRP 37 -5.574 -0.017 -1.101 252 H THR 38 H THR 38 -7.796 2.748 6.759 253 HA THR 38 HA THR 38 -9.972 4.183 5.396 254 HB THR 38 HB THR 38 -10.214 5.184 7.896 255 HG1 THR 38 1HG THR 38 -8.782 3.663 8.808 256 HG21 THR 38 3HG2 THR 38 -11.636 3.199 6.281 257 HG22 THR 38 1HG2 THR 38 -12.253 4.605 7.148 258 HG23 THR 38 2HG2 THR 38 -11.975 3.091 8.008 259 HA PRO 39 HA PRO 39 -7.355 7.703 5.281 260 HB2 PRO 39 1HB PRO 39 -9.044 9.747 5.864 261 HB3 PRO 39 2HB PRO 39 -9.094 8.867 4.332 262 HG2 PRO 39 1HG PRO 39 -10.812 8.540 6.762 263 HG3 PRO 39 2HG PRO 39 -11.283 8.553 5.052 264 HD2 PRO 39 1HD PRO 39 -11.003 6.262 6.469 265 HD3 PRO 39 2HD PRO 39 -10.651 6.359 4.732 266 HA PRO 40 HA PRO 40 -5.837 8.934 9.219 267 HB2 PRO 40 1HB PRO 40 -5.084 11.509 8.807 268 HB3 PRO 40 2HB PRO 40 -4.209 10.133 8.128 269 HG2 PRO 40 1HG PRO 40 -6.220 11.928 6.826 270 HG3 PRO 40 2HG PRO 40 -4.689 11.310 6.180 271 HD2 PRO 40 1HD PRO 40 -7.085 10.227 5.536 272 HD3 PRO 40 2HD PRO 40 -5.599 9.262 5.641 273 H LEU 41 H LEU 41 -6.742 9.519 11.094 274 HA LEU 41 HA LEU 41 -9.274 10.452 11.431 275 HB2 LEU 41 1HB LEU 41 -6.857 10.751 13.187 276 HB3 LEU 41 2HB LEU 41 -8.453 11.299 13.697 277 HG LEU 41 HG LEU 41 -7.999 8.461 12.838 278 HD11 LEU 41 1HD1 LEU 41 -7.548 9.611 15.587 279 HD12 LEU 41 2HD1 LEU 41 -6.334 8.873 14.542 280 HD13 LEU 41 3HD1 LEU 41 -7.642 7.892 15.204 281 HD21 LEU 41 3HD2 LEU 41 -10.300 9.313 13.074 282 HD22 LEU 41 1HD2 LEU 41 -9.953 9.732 14.752 283 HD23 LEU 41 2HD2 LEU 41 -9.926 8.044 14.241 284 H ASN 42 H ASN 42 -6.484 12.296 10.583 285 HA ASN 42 HA ASN 42 -7.900 14.818 11.073 286 HB2 ASN 42 1HB ASN 42 -5.348 14.202 11.668 287 HB3 ASN 42 2HB ASN 42 -5.118 14.840 10.042 288 HD21 ASN 42 1HD2 ASN 42 -4.594 16.890 10.033 289 HD22 ASN 42 2HD2 ASN 42 -5.145 18.094 11.143 290 HA PRO 43 HA PRO 43 -8.783 14.426 6.640 291 HB2 PRO 43 1HB PRO 43 -10.845 16.191 6.685 292 HB3 PRO 43 2HB PRO 43 -11.020 14.498 7.161 293 HG2 PRO 43 1HG PRO 43 -10.675 16.923 8.882 294 HG3 PRO 43 2HG PRO 43 -11.767 15.543 9.100 295 HD2 PRO 43 1HD PRO 43 -9.433 15.782 10.452 296 HD3 PRO 43 2HD PRO 43 -10.107 14.208 9.982 297 H ASN 44 H ASN 44 -7.417 16.805 8.507 298 HA ASN 44 HA ASN 44 -7.460 18.882 6.466 299 HB2 ASN 44 1HB ASN 44 -6.018 18.878 9.125 300 HB3 ASN 44 2HB ASN 44 -6.327 20.271 8.092 301 HD21 ASN 44 1HD2 ASN 44 -7.890 17.784 10.032 302 HD22 ASN 44 2HD2 ASN 44 -9.295 18.712 10.418 303 H ILE 45 H ILE 45 -5.893 16.121 6.642 304 HA ILE 45 HA ILE 45 -3.266 17.207 5.887 305 HB ILE 45 HB ILE 45 -4.008 14.378 6.644 306 HG12 ILE 45 1HG1 ILE 45 -4.088 15.795 8.589 307 HG13 ILE 45 2HG1 ILE 45 -2.594 14.866 8.654 308 HG21 ILE 45 1HG2 ILE 45 -1.559 14.012 6.675 309 HG22 ILE 45 2HG2 ILE 45 -2.188 14.376 5.069 310 HG23 ILE 45 3HG2 ILE 45 -1.342 15.621 5.988 311 HD11 ILE 45 3HD1 ILE 45 -2.860 17.732 7.777 312 HD12 ILE 45 1HD1 ILE 45 -2.224 17.165 9.321 313 HD13 ILE 45 2HD1 ILE 45 -1.361 16.804 7.826 314 H VAL 46 H VAL 46 -2.244 16.517 3.984 315 HA VAL 46 HA VAL 46 -4.086 15.839 1.845 316 HB VAL 46 HB VAL 46 -1.169 16.612 1.824 317 HG11 VAL 46 1HG1 VAL 46 -1.444 15.135 -0.015 318 HG12 VAL 46 2HG1 VAL 46 -2.990 15.863 -0.454 319 HG13 VAL 46 3HG1 VAL 46 -1.493 16.773 -0.665 320 HG21 VAL 46 3HG2 VAL 46 -3.722 18.036 1.118 321 HG22 VAL 46 1HG2 VAL 46 -2.495 18.503 2.297 322 HG23 VAL 46 2HG2 VAL 46 -2.141 18.597 0.571 323 H VAL 47 H VAL 47 -3.981 14.030 0.551 324 HA VAL 47 HA VAL 47 -2.025 11.958 1.251 325 HB VAL 47 HB VAL 47 -5.007 11.512 1.067 326 HG11 VAL 47 1HG1 VAL 47 -4.645 9.207 1.234 327 HG12 VAL 47 2HG1 VAL 47 -3.465 9.744 0.037 328 HG13 VAL 47 3HG1 VAL 47 -2.956 9.414 1.693 329 HG21 VAL 47 3HG2 VAL 47 -4.904 10.896 3.374 330 HG22 VAL 47 1HG2 VAL 47 -3.144 11.015 3.382 331 HG23 VAL 47 2HG2 VAL 47 -4.125 12.469 3.204 332 H ARG 48 H ARG 48 -1.037 11.273 -0.521 333 HA ARG 48 HA ARG 48 -2.318 11.691 -3.120 334 HB2 ARG 48 1HB ARG 48 0.544 10.961 -2.471 335 HB3 ARG 48 2HB ARG 48 -0.086 11.352 -4.066 336 HG2 ARG 48 1HG ARG 48 0.068 13.216 -1.706 337 HG3 ARG 48 2HG ARG 48 1.109 13.237 -3.131 338 HD2 ARG 48 1HD ARG 48 -1.211 13.423 -4.382 339 HD3 ARG 48 2HD ARG 48 -1.729 14.079 -2.829 340 HE ARG 48 HE ARG 48 0.463 15.523 -3.305 341 HH11 ARG 48 1HH1 ARG 48 -2.225 14.699 -5.359 342 HH12 ARG 48 2HH1 ARG 48 -2.122 16.152 -6.296 343 HH21 ARG 48 1HH2 ARG 48 0.609 17.440 -4.532 344 HH22 ARG 48 2HH2 ARG 48 -0.509 17.710 -5.826 345 H GLY 49 H GLY 49 -1.824 9.252 -0.869 346 HA2 GLY 49 1HA GLY 49 -3.147 7.226 -1.974 347 HA3 GLY 49 2HA GLY 49 -1.613 7.100 -2.822 348 H TYR 50 H TYR 50 -1.508 4.964 -1.839 349 HA TYR 50 HA TYR 50 -0.145 5.094 0.734 350 HB2 TYR 50 1HB TYR 50 -2.119 2.884 0.447 351 HB3 TYR 50 2HB TYR 50 -1.539 3.692 1.899 352 HD1 TYR 50 2HD TYR 50 -3.833 4.021 -0.985 353 HD2 TYR 50 1HD TYR 50 -2.729 5.509 2.844 354 HE1 TYR 50 2HE TYR 50 -5.889 5.370 -0.923 355 HE2 TYR 50 1HE TYR 50 -4.782 6.861 2.918 356 HH TYR 50 HH TYR 50 -6.464 7.730 1.583 357 H ILE 51 H ILE 51 1.262 3.349 1.123 358 HA ILE 51 HA ILE 51 1.970 1.860 -1.305 359 HB ILE 51 HB ILE 51 3.602 2.385 1.182 360 HG12 ILE 51 1HG1 ILE 51 4.129 3.432 -1.591 361 HG13 ILE 51 2HG1 ILE 51 3.094 4.302 -0.464 362 HG21 ILE 51 1HG2 ILE 51 5.201 1.000 0.428 363 HG22 ILE 51 2HG2 ILE 51 3.882 0.260 -0.477 364 HG23 ILE 51 3HG2 ILE 51 4.932 1.442 -1.257 365 HD11 ILE 51 3HD1 ILE 51 5.070 4.181 1.150 366 HD12 ILE 51 1HD1 ILE 51 6.025 3.738 -0.265 367 HD13 ILE 51 2HD1 ILE 51 5.184 5.288 -0.218 368 H ILE 52 H ILE 52 1.105 -0.106 -1.391 369 HA ILE 52 HA ILE 52 0.580 -1.595 1.056 370 HB ILE 52 HB ILE 52 -0.074 -2.249 -1.819 371 HG12 ILE 52 1HG1 ILE 52 -1.915 -1.425 0.433 372 HG13 ILE 52 2HG1 ILE 52 -1.284 -0.307 -0.771 373 HG21 ILE 52 1HG2 ILE 52 0.116 -4.318 -0.721 374 HG22 ILE 52 2HG2 ILE 52 -0.644 -3.703 0.746 375 HG23 ILE 52 3HG2 ILE 52 -1.608 -3.948 -0.711 376 HD11 ILE 52 3HD1 ILE 52 -2.325 -2.104 -2.419 377 HD12 ILE 52 1HD1 ILE 52 -3.358 -2.399 -1.021 378 HD13 ILE 52 2HD1 ILE 52 -3.274 -0.786 -1.731 379 H GLY 53 H GLY 53 2.445 -2.442 1.838 380 HA2 GLY 53 1HA GLY 53 4.170 -3.934 -0.024 381 HA3 GLY 53 2HA GLY 53 4.659 -3.334 1.554 382 H TYR 54 H TYR 54 3.193 -5.916 -0.197 383 HA TYR 54 HA TYR 54 2.774 -7.405 2.308 384 HB2 TYR 54 1HB TYR 54 1.263 -8.852 1.045 385 HB3 TYR 54 2HB TYR 54 0.763 -7.170 0.909 386 HD1 TYR 54 1HD TYR 54 1.540 -5.898 -1.208 387 HD2 TYR 54 2HD TYR 54 1.540 -10.140 -0.875 388 HE1 TYR 54 1HE TYR 54 1.564 -6.084 -3.660 389 HE2 TYR 54 2HE TYR 54 1.565 -10.338 -3.326 390 HH TYR 54 HH TYR 54 0.812 -7.882 -5.376 391 H GLY 55 H GLY 55 3.312 -9.710 2.271 392 HA2 GLY 55 1HA GLY 55 4.763 -11.039 0.336 393 HA3 GLY 55 2HA GLY 55 5.947 -10.127 1.260 394 H VAL 56 H VAL 56 5.658 -13.012 1.021 395 HA VAL 56 HA VAL 56 4.523 -14.038 3.429 396 HB VAL 56 HB VAL 56 6.499 -15.290 1.517 397 HG11 VAL 56 1HG1 VAL 56 5.941 -16.107 4.090 398 HG12 VAL 56 2HG1 VAL 56 4.853 -17.087 3.105 399 HG13 VAL 56 3HG1 VAL 56 6.590 -17.116 2.798 400 HG21 VAL 56 3HG2 VAL 56 3.632 -14.872 1.439 401 HG22 VAL 56 1HG2 VAL 56 4.728 -15.424 0.172 402 HG23 VAL 56 2HG2 VAL 56 4.053 -16.580 1.320 403 H GLY 57 H GLY 57 5.329 -13.715 5.392 404 HA2 GLY 57 1HA GLY 57 6.884 -13.851 7.112 405 HA3 GLY 57 2HA GLY 57 8.123 -14.222 5.923 406 H SER 58 H SER 58 7.346 -11.807 4.338 407 HA SER 58 HA SER 58 8.106 -9.619 6.103 408 HB2 SER 58 1HB SER 58 9.731 -9.895 3.612 409 HB3 SER 58 2HB SER 58 10.144 -9.123 5.143 410 HG SER 58 HG SER 58 11.299 -10.972 5.132 411 HA PRO 59 HA PRO 59 5.169 -7.687 3.394 412 HB2 PRO 59 1HB PRO 59 5.360 -5.198 4.462 413 HB3 PRO 59 2HB PRO 59 4.478 -6.515 5.246 414 HG2 PRO 59 1HG PRO 59 7.240 -5.496 5.792 415 HG3 PRO 59 2HG PRO 59 5.971 -5.961 6.940 416 HD2 PRO 59 1HD PRO 59 8.041 -7.591 6.316 417 HD3 PRO 59 2HD PRO 59 6.429 -8.210 6.727 418 H TYR 60 H TYR 60 8.281 -7.747 2.951 419 HA TYR 60 HA TYR 60 8.395 -5.382 1.198 420 HB2 TYR 60 1HB TYR 60 10.821 -6.946 2.019 421 HB3 TYR 60 2HB TYR 60 10.705 -5.264 1.512 422 HD1 TYR 60 1HD TYR 60 9.003 -3.880 3.164 423 HD2 TYR 60 2HD TYR 60 11.375 -7.248 4.228 424 HE1 TYR 60 1HE TYR 60 8.944 -3.170 5.518 425 HE2 TYR 60 2HE TYR 60 11.321 -6.548 6.585 426 HH TYR 60 HH TYR 60 10.343 -5.162 8.073 427 H ALA 61 H ALA 61 7.316 -8.210 0.777 428 HA ALA 61 HA ALA 61 9.062 -9.265 -1.282 429 HB1 ALA 61 3HB ALA 61 7.649 -10.642 0.353 430 HB2 ALA 61 1HB ALA 61 6.289 -10.246 -0.698 431 HB3 ALA 61 2HB ALA 61 7.669 -11.138 -1.339 432 H GLU 62 H GLU 62 6.049 -7.479 -1.044 433 HA GLU 62 HA GLU 62 6.242 -6.821 -3.872 434 HB2 GLU 62 1HB GLU 62 3.896 -8.246 -2.635 435 HB3 GLU 62 2HB GLU 62 3.721 -7.261 -4.081 436 HG2 GLU 62 1HG GLU 62 5.604 -9.594 -3.827 437 HG3 GLU 62 2HG GLU 62 3.992 -9.676 -4.537 438 H THR 63 H THR 63 5.783 -4.742 -4.215 439 HA THR 63 HA THR 63 4.299 -3.288 -2.123 440 HB THR 63 HB THR 63 5.753 -1.327 -3.340 441 HG1 THR 63 1HG THR 63 7.306 -3.712 -3.314 442 HG21 THR 63 3HG2 THR 63 6.064 -2.935 -0.866 443 HG22 THR 63 1HG2 THR 63 5.788 -1.205 -1.063 444 HG23 THR 63 2HG2 THR 63 7.399 -1.875 -1.316 445 H VAL 64 H VAL 64 2.668 -1.966 -2.741 446 HA VAL 64 HA VAL 64 2.306 -1.424 -5.604 447 HB VAL 64 HB VAL 64 0.249 -2.640 -3.766 448 HG11 VAL 64 1HG1 VAL 64 -1.346 -1.508 -4.816 449 HG12 VAL 64 2HG1 VAL 64 -0.153 -0.719 -5.851 450 HG13 VAL 64 3HG1 VAL 64 -0.850 -2.268 -6.328 451 HG21 VAL 64 3HG2 VAL 64 1.244 -4.438 -4.739 452 HG22 VAL 64 1HG2 VAL 64 0.094 -4.052 -6.019 453 HG23 VAL 64 2HG2 VAL 64 1.771 -3.523 -6.151 454 H ARG 65 H ARG 65 2.306 0.717 -5.769 455 HA ARG 65 HA ARG 65 1.275 2.352 -3.584 456 HB2 ARG 65 1HB ARG 65 3.077 2.802 -5.904 457 HB3 ARG 65 2HB ARG 65 2.129 4.175 -5.350 458 HG2 ARG 65 1HG ARG 65 3.226 4.306 -3.348 459 HG3 ARG 65 2HG ARG 65 3.646 2.592 -3.342 460 HD2 ARG 65 1HD ARG 65 4.824 4.579 -5.273 461 HD3 ARG 65 2HD ARG 65 5.559 4.191 -3.718 462 HE ARG 65 HE ARG 65 5.507 2.537 -6.086 463 HH11 ARG 65 1HH1 ARG 65 5.966 2.655 -2.636 464 HH12 ARG 65 2HH1 ARG 65 6.900 1.197 -2.580 465 HH21 ARG 65 1HH2 ARG 65 6.736 0.616 -6.024 466 HH22 ARG 65 2HH2 ARG 65 7.339 0.039 -4.507 467 H VAL 66 H VAL 66 -0.863 2.643 -3.621 468 HA VAL 66 HA VAL 66 -2.223 2.995 -6.194 469 HB VAL 66 HB VAL 66 -4.320 2.773 -4.845 470 HG11 VAL 66 1HG1 VAL 66 -2.325 0.516 -4.707 471 HG12 VAL 66 2HG1 VAL 66 -4.062 0.339 -4.455 472 HG13 VAL 66 3HG1 VAL 66 -3.446 0.861 -6.023 473 HG21 VAL 66 3HG2 VAL 66 -3.306 1.474 -2.562 474 HG22 VAL 66 1HG2 VAL 66 -2.455 3.014 -2.689 475 HG23 VAL 66 2HG2 VAL 66 -4.218 2.982 -2.636 476 H ASP 67 H ASP 67 -4.276 4.515 -5.844 477 HA ASP 67 HA ASP 67 -3.168 7.133 -5.334 478 HB2 ASP 67 1HB ASP 67 -6.046 6.619 -6.023 479 HB3 ASP 67 2HB ASP 67 -5.034 7.998 -6.447 480 H SER 68 H SER 68 -4.633 8.755 -4.169 481 HA SER 68 HA SER 68 -5.001 7.793 -1.485 482 HB2 SER 68 1HB SER 68 -5.277 10.066 -0.866 483 HB3 SER 68 2HB SER 68 -4.079 10.082 -2.161 484 HG SER 68 HG SER 68 -5.771 10.641 -3.602 485 H LYS 69 H LYS 69 -6.813 6.951 -3.772 486 HA LYS 69 HA LYS 69 -9.374 7.713 -2.527 487 HB2 LYS 69 1HB LYS 69 -10.236 6.838 -4.868 488 HB3 LYS 69 2HB LYS 69 -9.666 8.489 -4.665 489 HG2 LYS 69 1HG LYS 69 -7.516 7.904 -5.592 490 HG3 LYS 69 2HG LYS 69 -7.994 6.208 -5.700 491 HD2 LYS 69 1HD LYS 69 -9.497 8.406 -7.100 492 HD3 LYS 69 2HD LYS 69 -8.129 7.570 -7.841 493 HE2 LYS 69 1HE LYS 69 -9.346 5.416 -7.415 494 HE3 LYS 69 2HE LYS 69 -10.743 6.377 -6.932 495 HZ1 LYS 69 3HZ LYS 69 -11.221 6.097 -9.115 496 HZ2 LYS 69 1HZ LYS 69 -9.603 5.957 -9.587 497 HZ3 LYS 69 2HZ LYS 69 -10.260 7.481 -9.265 498 H GLN 70 H GLN 70 -7.341 5.109 -3.631 499 HA GLN 70 HA GLN 70 -9.218 3.012 -3.496 500 HB2 GLN 70 1HB GLN 70 -6.251 2.807 -2.969 501 HB3 GLN 70 2HB GLN 70 -7.325 1.523 -3.507 502 HG2 GLN 70 1HG GLN 70 -6.343 3.901 -5.043 503 HG3 GLN 70 2HG GLN 70 -6.135 2.189 -5.409 504 HE21 GLN 70 1HE2 GLN 70 -8.690 4.603 -4.950 505 HE22 GLN 70 2HE2 GLN 70 -9.718 4.006 -6.204 506 H ARG 71 H ARG 71 -10.394 2.620 -1.733 507 HA ARG 71 HA ARG 71 -9.230 2.959 0.916 508 HB2 ARG 71 1HB ARG 71 -11.394 3.877 0.777 509 HB3 ARG 71 2HB ARG 71 -12.022 2.484 -0.095 510 HG2 ARG 71 1HG ARG 71 -12.245 1.219 1.806 511 HG3 ARG 71 2HG ARG 71 -11.000 2.115 2.678 512 HD2 ARG 71 1HD ARG 71 -12.979 2.804 3.692 513 HD3 ARG 71 2HD ARG 71 -12.629 4.098 2.546 514 HE ARG 71 HE ARG 71 -14.503 3.515 1.350 515 HH11 ARG 71 1HH1 ARG 71 -13.786 1.038 3.688 516 HH12 ARG 71 2HH1 ARG 71 -15.281 0.197 3.450 517 HH21 ARG 71 1HH2 ARG 71 -16.476 2.417 1.027 518 HH22 ARG 71 2HH2 ARG 71 -16.811 0.982 1.936 519 H TYR 72 H TYR 72 -9.067 0.606 -1.261 520 HA TYR 72 HA TYR 72 -8.374 -1.404 0.595 521 HB2 TYR 72 1HB TYR 72 -10.154 -2.852 0.611 522 HB3 TYR 72 2HB TYR 72 -11.026 -1.327 0.485 523 HD1 TYR 72 1HD TYR 72 -12.127 -0.689 -1.588 524 HD2 TYR 72 2HD TYR 72 -10.034 -4.380 -1.272 525 HE1 TYR 72 1HE TYR 72 -13.212 -1.473 -3.651 526 HE2 TYR 72 2HE TYR 72 -11.113 -5.174 -3.335 527 HH TYR 72 HH TYR 72 -12.529 -4.702 -4.971 528 H TYR 73 H TYR 73 -7.489 -3.270 -0.406 529 HA TYR 73 HA TYR 73 -7.330 -3.227 -3.331 530 HB2 TYR 73 1HB TYR 73 -5.357 -2.010 -2.288 531 HB3 TYR 73 2HB TYR 73 -4.869 -3.562 -1.616 532 HD1 TYR 73 2HD TYR 73 -4.270 -5.433 -3.172 533 HD2 TYR 73 1HD TYR 73 -4.917 -1.460 -4.551 534 HE1 TYR 73 2HE TYR 73 -3.095 -5.974 -5.264 535 HE2 TYR 73 1HE TYR 73 -3.746 -1.990 -6.648 536 HH TYR 73 HH TYR 73 -2.035 -4.993 -7.087 537 H SER 74 H SER 74 -7.311 -5.203 -4.256 538 HA SER 74 HA SER 74 -7.374 -7.512 -2.440 539 HB2 SER 74 1HB SER 74 -8.259 -7.707 -5.288 540 HB3 SER 74 2HB SER 74 -8.877 -8.540 -3.861 541 HG SER 74 HG SER 74 -9.480 -5.998 -4.849 542 H ILE 75 H ILE 75 -5.345 -8.276 -2.266 543 HA ILE 75 HA ILE 75 -3.542 -8.339 -4.514 544 HB ILE 75 HB ILE 75 -3.187 -9.612 -1.799 545 HG12 ILE 75 1HG1 ILE 75 -2.253 -6.897 -2.754 546 HG13 ILE 75 2HG1 ILE 75 -3.624 -7.162 -1.682 547 HG21 ILE 75 1HG2 ILE 75 -0.855 -9.663 -2.304 548 HG22 ILE 75 2HG2 ILE 75 -1.713 -10.404 -3.654 549 HG23 ILE 75 3HG2 ILE 75 -1.101 -8.756 -3.796 550 HD11 ILE 75 3HD1 ILE 75 -0.836 -6.967 -1.062 551 HD12 ILE 75 1HD1 ILE 75 -2.226 -7.010 0.022 552 HD13 ILE 75 2HD1 ILE 75 -1.478 -8.515 -0.513 553 H GLU 76 H GLU 76 -3.457 -9.896 -5.982 554 HA GLU 76 HA GLU 76 -4.472 -12.567 -5.259 555 HB2 GLU 76 1HB GLU 76 -4.469 -11.276 -7.993 556 HB3 GLU 76 2HB GLU 76 -5.117 -12.861 -7.595 557 HG2 GLU 76 1HG GLU 76 -6.554 -11.443 -5.889 558 HG3 GLU 76 2HG GLU 76 -6.225 -10.165 -7.058 559 H ARG 77 H ARG 77 -3.607 -14.122 -7.221 560 HA ARG 77 HA ARG 77 -1.826 -15.299 -8.005 561 HB2 ARG 77 1HB ARG 77 -0.275 -12.712 -7.899 562 HB3 ARG 77 2HB ARG 77 0.035 -14.108 -8.922 563 HG2 ARG 77 1HG ARG 77 -2.480 -12.478 -9.114 564 HG3 ARG 77 2HG ARG 77 -1.023 -12.117 -10.042 565 HD2 ARG 77 1HD ARG 77 -2.352 -14.815 -10.080 566 HD3 ARG 77 2HD ARG 77 -2.788 -13.523 -11.199 567 HE ARG 77 HE ARG 77 -0.379 -15.118 -11.228 568 HH11 ARG 77 1HH1 ARG 77 -1.947 -12.205 -12.311 569 HH12 ARG 77 2HH1 ARG 77 -0.897 -11.991 -13.672 570 HH21 ARG 77 1HH2 ARG 77 1.010 -14.847 -13.017 571 HH22 ARG 77 2HH2 ARG 77 0.784 -13.494 -14.073 572 H LEU 78 H LEU 78 -2.236 -15.512 -5.330 573 HA LEU 78 HA LEU 78 0.497 -15.540 -4.228 574 HB2 LEU 78 1HB LEU 78 -1.993 -15.445 -2.557 575 HB3 LEU 78 2HB LEU 78 -0.332 -15.111 -2.071 576 HG LEU 78 HG LEU 78 -1.826 -13.354 -4.002 577 HD11 LEU 78 1HD1 LEU 78 -1.625 -12.987 -1.018 578 HD12 LEU 78 2HD1 LEU 78 -3.071 -13.528 -1.868 579 HD13 LEU 78 3HD1 LEU 78 -2.422 -11.917 -2.171 580 HD21 LEU 78 3HD2 LEU 78 -0.089 -11.780 -2.693 581 HD22 LEU 78 1HD2 LEU 78 0.310 -12.641 -4.180 582 HD23 LEU 78 2HD2 LEU 78 0.782 -13.312 -2.619 583 H GLU 79 H GLU 79 0.743 -17.222 -2.455 584 HA GLU 79 HA GLU 79 -0.241 -19.753 -3.497 585 HB2 GLU 79 1HB GLU 79 1.465 -20.794 -2.226 586 HB3 GLU 79 2HB GLU 79 2.183 -19.333 -2.889 587 HG2 GLU 79 1HG GLU 79 2.930 -19.373 -0.695 588 HG3 GLU 79 2HG GLU 79 1.577 -18.244 -0.656 589 H SER 80 H SER 80 -0.387 -21.421 -1.437 590 HA SER 80 HA SER 80 -2.394 -20.259 0.380 591 HB2 SER 80 1HB SER 80 -3.748 -22.236 0.194 592 HB3 SER 80 2HB SER 80 -3.389 -21.687 -1.443 593 HG SER 80 HG SER 80 -1.954 -23.328 -1.687 594 H SER 81 H SER 81 -2.346 -20.909 2.493 595 HA SER 81 HA SER 81 -1.613 -21.912 4.413 596 HB2 SER 81 1HB SER 81 -1.600 -24.009 2.876 597 HB3 SER 81 2HB SER 81 0.146 -23.770 2.832 598 HG SER 81 HG SER 81 0.092 -24.864 4.629 599 H SER 82 H SER 82 -0.494 -19.614 3.864 600 HA SER 82 HA SER 82 2.179 -19.882 4.913 601 HB2 SER 82 1HB SER 82 1.682 -18.787 2.146 602 HB3 SER 82 2HB SER 82 3.113 -18.356 3.082 603 HG SER 82 HG SER 82 2.450 -21.062 2.775 604 H HIS 83 H HIS 83 2.762 -18.150 6.125 605 HA HIS 83 HA HIS 83 0.757 -16.216 6.746 606 HB2 HIS 83 1HB HIS 83 2.087 -16.879 8.571 607 HB3 HIS 83 2HB HIS 83 3.585 -16.666 7.670 608 HD1 HIS 83 1HD HIS 83 4.420 -15.159 9.660 609 HD2 HIS 83 2HD HIS 83 1.162 -13.663 7.560 610 HE1 HIS 83 1HE HIS 83 4.247 -12.739 10.322 611 HE2 HIS 83 2HE HIS 83 2.218 -11.877 9.105 612 H TYR 84 H TYR 84 0.330 -14.512 5.518 613 HA TYR 84 HA TYR 84 2.523 -13.265 4.007 614 HB2 TYR 84 1HB TYR 84 -0.389 -13.608 3.504 615 HB3 TYR 84 2HB TYR 84 0.362 -12.131 2.911 616 HD1 TYR 84 1HD TYR 84 0.890 -15.829 2.891 617 HD2 TYR 84 2HD TYR 84 1.328 -12.145 0.809 618 HE1 TYR 84 1HE TYR 84 1.714 -17.048 0.920 619 HE2 TYR 84 2HE TYR 84 2.153 -13.353 -1.168 620 HH TYR 84 HH TYR 84 2.863 -16.771 -1.068 621 H VAL 85 H VAL 85 3.358 -11.537 4.957 622 HA VAL 85 HA VAL 85 1.867 -10.010 6.903 623 HB VAL 85 HB VAL 85 4.584 -9.298 5.818 624 HG11 VAL 85 1HG1 VAL 85 3.100 -8.737 8.374 625 HG12 VAL 85 2HG1 VAL 85 4.838 -8.479 8.202 626 HG13 VAL 85 3HG1 VAL 85 3.707 -7.584 7.186 627 HG21 VAL 85 3HG2 VAL 85 4.429 -11.719 6.531 628 HG22 VAL 85 1HG2 VAL 85 5.629 -10.741 7.377 629 HG23 VAL 85 2HG2 VAL 85 4.095 -11.127 8.158 630 H ILE 86 H ILE 86 0.913 -8.080 6.625 631 HA ILE 86 HA ILE 86 1.297 -6.708 4.046 632 HB ILE 86 HB ILE 86 -1.321 -6.800 5.538 633 HG12 ILE 86 1HG1 ILE 86 -0.887 -8.283 2.981 634 HG13 ILE 86 2HG1 ILE 86 -0.335 -9.017 4.482 635 HG21 ILE 86 1HG2 ILE 86 -0.320 -5.473 3.115 636 HG22 ILE 86 2HG2 ILE 86 -1.895 -6.249 2.951 637 HG23 ILE 86 3HG2 ILE 86 -1.641 -5.025 4.194 638 HD11 ILE 86 3HD1 ILE 86 -3.130 -8.273 3.693 639 HD12 ILE 86 1HD1 ILE 86 -2.487 -9.865 4.095 640 HD13 ILE 86 2HD1 ILE 86 -2.679 -8.646 5.356 641 H SER 87 H SER 87 2.065 -4.725 4.284 642 HA SER 87 HA SER 87 1.367 -3.221 6.719 643 HB2 SER 87 1HB SER 87 4.034 -3.116 5.291 644 HB3 SER 87 2HB SER 87 3.600 -2.276 6.780 645 HG SER 87 HG SER 87 3.603 -5.098 6.487 646 H LEU 88 H LEU 88 0.029 -1.656 6.097 647 HA LEU 88 HA LEU 88 0.484 -0.326 3.520 648 HB2 LEU 88 1HB LEU 88 -1.714 -0.992 3.524 649 HB3 LEU 88 2HB LEU 88 -1.896 -0.745 5.260 650 HG LEU 88 HG LEU 88 -1.654 1.791 4.587 651 HD11 LEU 88 1HD1 LEU 88 -1.204 1.582 2.278 652 HD12 LEU 88 2HD1 LEU 88 -2.873 2.137 2.403 653 HD13 LEU 88 3HD1 LEU 88 -2.531 0.444 2.045 654 HD21 LEU 88 3HD2 LEU 88 -4.229 0.349 4.001 655 HD22 LEU 88 1HD2 LEU 88 -4.011 1.976 4.647 656 HD23 LEU 88 2HD2 LEU 88 -3.603 0.574 5.635 657 H LYS 89 H LYS 89 0.773 1.867 3.360 658 HA LYS 89 HA LYS 89 0.680 3.512 5.758 659 HB2 LYS 89 1HB LYS 89 2.925 4.169 5.759 660 HB3 LYS 89 2HB LYS 89 3.003 2.430 5.504 661 HG2 LYS 89 1HG LYS 89 3.376 2.750 3.143 662 HG3 LYS 89 2HG LYS 89 3.172 4.495 3.318 663 HD2 LYS 89 1HD LYS 89 5.450 4.382 3.378 664 HD3 LYS 89 2HD LYS 89 5.111 4.166 5.097 665 HE2 LYS 89 1HE LYS 89 6.555 2.425 4.743 666 HE3 LYS 89 2HE LYS 89 5.016 1.626 4.423 667 HZ1 LYS 89 3HZ LYS 89 5.516 1.357 2.273 668 HZ2 LYS 89 1HZ LYS 89 7.118 1.612 2.753 669 HZ3 LYS 89 2HZ LYS 89 6.211 2.891 2.119 670 H ALA 90 H ALA 90 0.330 5.663 5.346 671 HA ALA 90 HA ALA 90 -0.554 6.318 2.681 672 HB1 ALA 90 3HB ALA 90 -1.854 7.062 4.590 673 HB2 ALA 90 1HB ALA 90 -0.478 7.986 5.193 674 HB3 ALA 90 2HB ALA 90 -1.257 8.449 3.680 675 H PHE 91 H PHE 91 0.292 7.868 1.311 676 HA PHE 91 HA PHE 91 2.861 9.074 2.060 677 HB2 PHE 91 1HB PHE 91 3.892 8.440 -0.016 678 HB3 PHE 91 2HB PHE 91 3.242 6.982 0.728 679 HD1 PHE 91 1HD PHE 91 2.642 9.509 -1.901 680 HD2 PHE 91 2HD PHE 91 1.640 5.664 -0.375 681 HE1 PHE 91 1HE PHE 91 1.396 9.018 -3.965 682 HE2 PHE 91 2HE PHE 91 0.393 5.167 -2.437 683 HZ PHE 91 HZ PHE 91 0.270 6.845 -4.235 684 H ASN 92 H ASN 92 3.482 10.887 0.682 685 HA ASN 92 HA ASN 92 1.591 12.020 -1.140 686 HB2 ASN 92 1HB ASN 92 0.919 13.944 0.123 687 HB3 ASN 92 2HB ASN 92 0.562 12.523 1.101 688 HD21 ASN 92 1HD2 ASN 92 0.576 14.617 2.548 689 HD22 ASN 92 2HD2 ASN 92 2.046 14.851 3.426 690 H ASN 93 H ASN 93 2.286 14.547 -1.361 691 HA ASN 93 HA ASN 93 4.745 14.573 -2.601 692 HB2 ASN 93 1HB ASN 93 2.916 16.681 -1.567 693 HB3 ASN 93 2HB ASN 93 4.551 17.171 -1.999 694 HD21 ASN 93 1HD2 ASN 93 2.289 14.829 -3.402 695 HD22 ASN 93 2HD2 ASN 93 2.302 15.511 -4.989 696 H ALA 94 H ALA 94 4.072 14.646 0.745 697 HA ALA 94 HA ALA 94 6.601 15.853 1.493 698 HB1 ALA 94 3HB ALA 94 4.929 14.467 3.508 699 HB2 ALA 94 1HB ALA 94 5.772 16.013 3.601 700 HB3 ALA 94 2HB ALA 94 4.244 15.892 2.728 701 H GLY 95 H GLY 95 5.228 12.681 1.083 702 HA2 GLY 95 1HA GLY 95 7.131 11.040 0.619 703 HA3 GLY 95 2HA GLY 95 7.659 11.475 2.238 704 H GLU 96 H GLU 96 7.351 9.688 3.418 705 HA GLU 96 HA GLU 96 4.693 8.419 3.302 706 HB2 GLU 96 1HB GLU 96 7.277 7.111 4.161 707 HB3 GLU 96 2HB GLU 96 5.718 6.329 3.941 708 HG2 GLU 96 1HG GLU 96 5.807 6.672 1.575 709 HG3 GLU 96 2HG GLU 96 7.262 7.655 1.727 710 H GLY 97 H GLY 97 3.703 7.811 5.246 711 HA2 GLY 97 1HA GLY 97 4.830 9.146 7.628 712 HA3 GLY 97 2HA GLY 97 3.109 8.989 7.308 713 H VAL 98 H VAL 98 3.744 8.207 9.706 714 HA VAL 98 HA VAL 98 4.820 5.888 10.447 715 HB VAL 98 HB VAL 98 3.569 7.167 12.044 716 HG11 VAL 98 1HG1 VAL 98 1.474 6.940 10.083 717 HG12 VAL 98 2HG1 VAL 98 0.892 6.455 11.677 718 HG13 VAL 98 3HG1 VAL 98 1.617 8.047 11.448 719 HG21 VAL 98 3HG2 VAL 98 2.215 5.351 13.130 720 HG22 VAL 98 1HG2 VAL 98 2.510 4.370 11.695 721 HG23 VAL 98 2HG2 VAL 98 3.862 4.896 12.698 722 HA PRO 99 HA PRO 99 2.923 3.066 7.468 723 HB2 PRO 99 1HB PRO 99 4.762 1.103 7.837 724 HB3 PRO 99 2HB PRO 99 5.048 2.504 6.798 725 HG2 PRO 99 1HG PRO 99 5.947 2.017 9.611 726 HG3 PRO 99 2HG PRO 99 6.854 2.700 8.249 727 HD2 PRO 99 1HD PRO 99 5.756 4.240 10.187 728 HD3 PRO 99 2HD PRO 99 5.911 4.787 8.505 729 H LEU 100 H LEU 100 1.458 1.483 7.801 730 HA LEU 100 HA LEU 100 1.236 0.403 10.526 731 HB2 LEU 100 1HB LEU 100 -0.633 1.760 9.277 732 HB3 LEU 100 2HB LEU 100 -0.958 0.204 8.517 733 HG LEU 100 HG LEU 100 -1.083 -0.660 10.974 734 HD11 LEU 100 1HD1 LEU 100 -2.121 1.187 12.402 735 HD12 LEU 100 2HD1 LEU 100 -1.351 2.312 11.284 736 HD13 LEU 100 3HD1 LEU 100 -0.367 1.184 12.217 737 HD21 LEU 100 3HD2 LEU 100 -2.929 0.025 9.089 738 HD22 LEU 100 1HD2 LEU 100 -3.441 1.000 10.466 739 HD23 LEU 100 2HD2 LEU 100 -3.296 -0.750 10.630 740 H TYR 101 H TYR 101 1.687 -1.667 10.851 741 HA TYR 101 HA TYR 101 1.969 -3.431 8.532 742 HB2 TYR 101 1HB TYR 101 3.126 -3.371 11.279 743 HB3 TYR 101 2HB TYR 101 2.950 -4.937 10.495 744 HD1 TYR 101 1HD TYR 101 3.949 -1.565 9.222 745 HD2 TYR 101 2HD TYR 101 5.008 -5.653 9.739 746 HE1 TYR 101 1HE TYR 101 6.039 -1.173 7.986 747 HE2 TYR 101 2HE TYR 101 7.102 -5.273 8.505 748 HH TYR 101 HH TYR 101 8.384 -3.793 7.467 749 H GLU 102 H GLU 102 1.257 -5.695 8.759 750 HA GLU 102 HA GLU 102 -0.791 -6.301 10.688 751 HB2 GLU 102 1HB GLU 102 -1.774 -4.888 8.671 752 HB3 GLU 102 2HB GLU 102 -1.748 -6.451 7.866 753 HG2 GLU 102 1HG GLU 102 -3.897 -5.756 9.039 754 HG3 GLU 102 2HG GLU 102 -3.283 -7.379 9.349 755 H SER 103 H SER 103 -1.888 -8.476 10.004 756 HA SER 103 HA SER 103 0.067 -10.196 8.644 757 HB2 SER 103 1HB SER 103 -0.084 -11.873 10.386 758 HB3 SER 103 2HB SER 103 0.389 -10.339 11.117 759 HG SER 103 HG SER 103 -1.216 -11.029 12.397 760 H ALA 104 H ALA 104 -0.784 -11.842 7.449 761 HA ALA 104 HA ALA 104 -3.577 -12.568 7.702 762 HB1 ALA 104 3HB ALA 104 -3.287 -10.474 6.166 763 HB2 ALA 104 1HB ALA 104 -2.754 -11.666 4.980 764 HB3 ALA 104 2HB ALA 104 -4.366 -11.785 5.688 765 H THR 105 H THR 105 -3.269 -14.705 7.868 766 HA THR 105 HA THR 105 -1.320 -16.050 6.172 767 HB THR 105 HB THR 105 -3.108 -17.233 8.305 768 HG1 THR 105 1HG THR 105 -0.651 -15.907 8.401 769 HG21 THR 105 3HG2 THR 105 -0.589 -18.324 7.046 770 HG22 THR 105 1HG2 THR 105 -2.223 -18.832 6.623 771 HG23 THR 105 2HG2 THR 105 -1.603 -19.123 8.248 772 H THR 106 H THR 106 -1.946 -16.605 4.193 773 HA THR 106 HA THR 106 -4.456 -16.677 3.127 774 HB THR 106 HB THR 106 -3.504 -18.455 1.514 775 HG1 THR 106 1HG THR 106 -1.232 -18.697 1.678 776 HG21 THR 106 3HG2 THR 106 -2.606 -15.664 1.949 777 HG22 THR 106 1HG2 THR 106 -3.415 -16.390 0.560 778 HG23 THR 106 2HG2 THR 106 -1.683 -16.629 0.797 779 H ARG 107 H ARG 107 -5.534 -18.742 2.202 780 HA ARG 107 HA ARG 107 -6.122 -20.463 4.489 781 HB2 ARG 107 1HB ARG 107 -7.596 -20.498 1.871 782 HB3 ARG 107 2HB ARG 107 -8.178 -20.952 3.467 783 HG2 ARG 107 1HG ARG 107 -7.422 -18.129 2.791 784 HG3 ARG 107 2HG ARG 107 -9.037 -18.773 2.493 785 HD2 ARG 107 1HD ARG 107 -7.792 -19.078 5.191 786 HD3 ARG 107 2HD ARG 107 -8.504 -17.533 4.729 787 HE ARG 107 HE ARG 107 -10.613 -18.516 4.740 788 HH11 ARG 107 1HH1 ARG 107 -8.118 -20.864 5.360 789 HH12 ARG 107 2HH1 ARG 107 -9.218 -22.077 5.926 790 HH21 ARG 107 1HH2 ARG 107 -12.072 -20.105 5.483 791 HH22 ARG 107 2HH2 ARG 107 -11.467 -21.644 5.995 792 H SER 108 H SER 108 -6.988 -22.755 3.479 793 HA SER 108 HA SER 108 -4.721 -23.824 1.929 794 HB2 SER 108 1HB SER 108 -6.090 -24.928 4.371 795 HB3 SER 108 2HB SER 108 -5.234 -25.991 3.254 796 HG SER 108 HG SER 108 -3.400 -24.525 3.575 797 H ILE 109 H ILE 109 -5.225 -24.917 0.141 798 HA ILE 109 HA ILE 109 -7.922 -25.097 -0.739 799 HB ILE 109 HB ILE 109 -5.369 -26.226 -1.879 800 HG12 ILE 109 1HG1 ILE 109 -6.212 -24.438 -3.679 801 HG13 ILE 109 2HG1 ILE 109 -6.971 -23.745 -2.251 802 HG21 ILE 109 1HG2 ILE 109 -6.662 -27.624 -3.045 803 HG22 ILE 109 2HG2 ILE 109 -8.141 -26.793 -2.566 804 HG23 ILE 109 3HG2 ILE 109 -7.197 -26.195 -3.929 805 HD11 ILE 109 3HD1 ILE 109 -4.372 -24.303 -1.459 806 HD12 ILE 109 1HD1 ILE 109 -4.220 -23.667 -3.097 807 HD13 ILE 109 2HD1 ILE 109 -5.048 -22.724 -1.858 808 H THR 110 H THR 110 -9.339 -26.735 -0.661 809 HA THR 110 HA THR 110 -8.572 -29.126 0.825 810 HB THR 110 HB THR 110 -10.998 -29.611 0.897 811 HG1 THR 110 1HG THR 110 -11.383 -27.061 -0.296 812 HG21 THR 110 3HG2 THR 110 -11.625 -27.776 2.376 813 HG22 THR 110 1HG2 THR 110 -10.308 -26.792 1.739 814 HG23 THR 110 2HG2 THR 110 -9.952 -28.253 2.661 815 H SER 111 H SER 111 -10.344 -28.353 -2.174 816 HA SER 111 HA SER 111 -10.611 -30.926 -3.158 817 HB2 SER 111 1HB SER 111 -10.938 -29.926 -5.339 818 HB3 SER 111 2HB SER 111 -11.675 -28.881 -4.124 819 HG SER 111 HG SER 111 -9.373 -27.890 -4.246 820 H GLY 112 H GLY 112 -9.419 -32.189 -4.619 821 HA2 GLY 112 1HA GLY 112 -6.644 -31.367 -5.120 822 HA3 GLY 112 2HA GLY 112 -6.934 -32.882 -4.277 823 HA PRO 113 HA PRO 113 -6.868 -34.773 -8.261 824 HB2 PRO 113 1HB PRO 113 -7.844 -37.198 -7.530 825 HB3 PRO 113 2HB PRO 113 -6.194 -36.678 -7.169 826 HG2 PRO 113 1HG PRO 113 -8.610 -36.677 -5.402 827 HG3 PRO 113 2HG PRO 113 -6.946 -37.160 -5.022 828 HD2 PRO 113 1HD PRO 113 -7.963 -34.753 -4.312 829 HD3 PRO 113 2HD PRO 113 -6.251 -34.983 -4.719 830 H SER 114 H SER 114 -8.350 -35.890 -9.767 831 HA SER 114 HA SER 114 -10.296 -36.003 -10.939 832 HB2 SER 114 1HB SER 114 -11.020 -37.362 -8.990 833 HB3 SER 114 2HB SER 114 -11.613 -35.894 -8.214 834 HG SER 114 HG SER 114 -13.322 -35.954 -9.438 835 H SER 115 H SER 115 -9.173 -33.511 -10.795 836 HA SER 115 HA SER 115 -11.525 -31.745 -10.590 837 HB2 SER 115 1HB SER 115 -9.941 -31.102 -8.891 838 HB3 SER 115 2HB SER 115 -8.615 -31.116 -10.054 839 HG SER 115 HG SER 115 -9.304 -29.002 -9.738 840 H GLY 116 H GLY 116 -11.754 -30.111 -12.172 841 HA2 GLY 116 1HA GLY 116 -11.653 -29.234 -14.292 842 HA3 GLY 116 2HA GLY 116 -9.959 -29.700 -14.307 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -21.346 11.053 6.700 2 HA2 GLY 1 1HA GLY 1 -19.512 8.948 6.847 3 HA3 GLY 1 2HA GLY 1 -19.621 10.100 5.524 4 H SER 2 H SER 2 -17.708 10.958 5.103 5 HA SER 2 HA SER 2 -16.172 12.175 7.238 6 HB2 SER 2 1HB SER 2 -15.429 9.729 7.005 7 HB3 SER 2 2HB SER 2 -14.760 10.204 5.444 8 HG SER 2 HG SER 2 -13.471 10.347 7.592 9 H SER 3 H SER 3 -14.476 13.575 6.448 10 HA SER 3 HA SER 3 -15.242 15.131 4.264 11 HB2 SER 3 1HB SER 3 -13.635 15.650 6.265 12 HB3 SER 3 2HB SER 3 -12.383 15.064 5.170 13 HG SER 3 HG SER 3 -13.835 17.401 5.105 14 H GLY 4 H GLY 4 -14.801 15.099 2.134 15 HA2 GLY 4 1HA GLY 4 -13.890 12.767 0.882 16 HA3 GLY 4 2HA GLY 4 -14.064 14.332 0.101 17 H SER 5 H SER 5 -12.213 15.894 1.230 18 HA SER 5 HA SER 5 -10.016 16.464 1.036 19 HB2 SER 5 1HB SER 5 -9.879 13.738 2.299 20 HB3 SER 5 2HB SER 5 -8.406 14.628 1.917 21 HG SER 5 HG SER 5 -8.752 15.566 3.763 22 H SER 6 H SER 6 -11.125 15.696 -1.354 23 HA SER 6 HA SER 6 -8.846 14.380 -2.674 24 HB2 SER 6 1HB SER 6 -11.777 14.005 -3.337 25 HB3 SER 6 2HB SER 6 -10.435 13.362 -4.284 26 HG SER 6 HG SER 6 -11.167 12.698 -1.629 27 H GLY 7 H GLY 7 -8.333 15.120 -4.763 28 HA2 GLY 7 1HA GLY 7 -8.409 16.555 -6.596 29 HA3 GLY 7 2HA GLY 7 -9.847 17.304 -5.918 30 HA PRO 8 HA PRO 8 -7.104 20.724 -5.201 31 HB2 PRO 8 1HB PRO 8 -8.954 22.338 -4.042 32 HB3 PRO 8 2HB PRO 8 -8.875 22.065 -5.786 33 HG2 PRO 8 1HG PRO 8 -10.672 20.804 -3.752 34 HG3 PRO 8 2HG PRO 8 -11.066 21.407 -5.372 35 HD2 PRO 8 1HD PRO 8 -10.693 18.777 -4.847 36 HD3 PRO 8 2HD PRO 8 -10.272 19.509 -6.409 37 H GLU 9 H GLU 9 -6.925 22.318 -3.184 38 HA GLU 9 HA GLU 9 -6.560 20.573 -0.852 39 HB2 GLU 9 1HB GLU 9 -5.252 23.150 -1.701 40 HB3 GLU 9 2HB GLU 9 -5.086 22.517 -0.069 41 HG2 GLU 9 1HG GLU 9 -4.411 20.841 -2.454 42 HG3 GLU 9 2HG GLU 9 -3.256 21.990 -1.782 43 H ASN 10 H ASN 10 -7.652 20.886 0.989 44 HA ASN 10 HA ASN 10 -9.244 23.352 1.248 45 HB2 ASN 10 1HB ASN 10 -10.176 20.806 2.504 46 HB3 ASN 10 2HB ASN 10 -11.116 22.180 1.929 47 HD21 ASN 10 1HD2 ASN 10 -10.280 19.052 1.321 48 HD22 ASN 10 2HD2 ASN 10 -10.669 18.976 -0.361 49 H ASP 11 H ASP 11 -7.290 24.079 2.419 50 HA ASP 11 HA ASP 11 -6.110 24.519 4.318 51 HB2 ASP 11 1HB ASP 11 -8.786 23.747 5.489 52 HB3 ASP 11 2HB ASP 11 -7.474 24.435 6.442 53 H LEU 12 H LEU 12 -5.335 22.158 3.347 54 HA LEU 12 HA LEU 12 -5.314 20.292 5.619 55 HB2 LEU 12 1HB LEU 12 -4.460 19.766 2.779 56 HB3 LEU 12 2HB LEU 12 -4.666 18.578 4.065 57 HG LEU 12 HG LEU 12 -6.987 20.209 3.092 58 HD11 LEU 12 1HD1 LEU 12 -6.092 19.242 1.088 59 HD12 LEU 12 2HD1 LEU 12 -7.517 18.323 1.570 60 HD13 LEU 12 3HD1 LEU 12 -5.906 17.674 1.874 61 HD21 LEU 12 3HD2 LEU 12 -7.911 17.755 3.711 62 HD22 LEU 12 1HD2 LEU 12 -7.797 19.082 4.867 63 HD23 LEU 12 2HD2 LEU 12 -6.530 17.856 4.806 64 H ASP 13 H ASP 13 -3.164 18.951 5.620 65 HA ASP 13 HA ASP 13 -0.936 20.878 5.509 66 HB2 ASP 13 1HB ASP 13 -1.710 20.085 7.804 67 HB3 ASP 13 2HB ASP 13 -1.092 18.497 7.356 68 H GLU 14 H GLU 14 -0.236 20.330 3.448 69 HA GLU 14 HA GLU 14 0.319 17.576 2.774 70 HB2 GLU 14 1HB GLU 14 -0.446 19.466 1.180 71 HB3 GLU 14 2HB GLU 14 1.242 19.958 1.191 72 HG2 GLU 14 1HG GLU 14 1.946 17.970 0.173 73 HG3 GLU 14 2HG GLU 14 0.418 17.158 0.511 74 H SER 15 H SER 15 2.047 20.326 4.000 75 HA SER 15 HA SER 15 4.667 19.647 3.331 76 HB2 SER 15 1HB SER 15 3.781 21.785 4.458 77 HB3 SER 15 2HB SER 15 3.927 20.895 5.974 78 HG SER 15 HG SER 15 5.866 21.819 5.787 79 H GLN 16 H GLN 16 2.496 18.206 5.577 80 HA GLN 16 HA GLN 16 4.691 16.606 6.715 81 HB2 GLN 16 1HB GLN 16 3.433 16.308 8.684 82 HB3 GLN 16 2HB GLN 16 3.234 18.007 8.272 83 HG2 GLN 16 1HG GLN 16 1.037 17.698 7.552 84 HG3 GLN 16 2HG GLN 16 1.232 15.951 7.417 85 HE21 GLN 16 1HE2 GLN 16 -0.034 18.380 9.251 86 HE22 GLN 16 2HE2 GLN 16 -0.213 17.541 10.751 87 H VAL 17 H VAL 17 4.560 14.384 6.715 88 HA VAL 17 HA VAL 17 3.108 13.177 4.612 89 HB VAL 17 HB VAL 17 3.948 11.038 5.487 90 HG11 VAL 17 1HG1 VAL 17 5.660 13.374 4.961 91 HG12 VAL 17 2HG1 VAL 17 6.469 11.988 5.697 92 HG13 VAL 17 3HG1 VAL 17 5.609 11.800 4.168 93 HG21 VAL 17 3HG2 VAL 17 5.537 11.213 7.483 94 HG22 VAL 17 1HG2 VAL 17 4.728 12.740 7.835 95 HG23 VAL 17 2HG2 VAL 17 3.806 11.236 7.820 96 HA PRO 18 HA PRO 18 -0.748 12.182 6.471 97 HB2 PRO 18 1HB PRO 18 -1.377 9.927 5.097 98 HB3 PRO 18 2HB PRO 18 -1.438 11.540 4.376 99 HG2 PRO 18 1HG PRO 18 0.698 9.452 4.170 100 HG3 PRO 18 2HG PRO 18 0.023 10.491 2.902 101 HD2 PRO 18 1HD PRO 18 2.390 11.014 4.108 102 HD3 PRO 18 2HD PRO 18 1.313 12.298 3.520 103 H ASP 19 H ASP 19 -1.396 11.149 8.265 104 HA ASP 19 HA ASP 19 0.337 9.296 9.563 105 HB2 ASP 19 1HB ASP 19 -2.343 10.485 10.193 106 HB3 ASP 19 2HB ASP 19 -1.737 9.136 11.150 107 H GLN 20 H GLN 20 -0.429 7.187 10.430 108 HA GLN 20 HA GLN 20 -1.147 5.455 8.344 109 HB2 GLN 20 1HB GLN 20 -1.131 3.707 9.970 110 HB3 GLN 20 2HB GLN 20 0.136 4.843 10.416 111 HG2 GLN 20 1HG GLN 20 -1.719 5.874 11.931 112 HG3 GLN 20 2HG GLN 20 -2.468 4.288 11.750 113 HE21 GLN 20 1HE2 GLN 20 0.415 3.264 11.451 114 HE22 GLN 20 2HE2 GLN 20 0.944 3.091 13.086 115 HA PRO 21 HA PRO 21 -5.531 5.421 8.251 116 HB2 PRO 21 1HB PRO 21 -6.068 2.796 7.813 117 HB3 PRO 21 2HB PRO 21 -5.381 3.856 6.576 118 HG2 PRO 21 1HG PRO 21 -4.004 1.886 8.361 119 HG3 PRO 21 2HG PRO 21 -3.757 2.191 6.632 120 HD2 PRO 21 1HD PRO 21 -2.109 3.184 8.536 121 HD3 PRO 21 2HD PRO 21 -2.441 4.043 7.018 122 H SER 22 H SER 22 -6.812 5.720 9.955 123 HA SER 22 HA SER 22 -6.601 5.002 12.502 124 HB2 SER 22 1HB SER 22 -9.351 4.599 11.440 125 HB3 SER 22 2HB SER 22 -8.798 5.588 12.792 126 HG SER 22 HG SER 22 -7.892 7.017 11.166 127 H SER 23 H SER 23 -7.649 2.850 9.942 128 HA SER 23 HA SER 23 -7.068 0.552 11.576 129 HB2 SER 23 1HB SER 23 -9.335 -0.473 11.240 130 HB3 SER 23 2HB SER 23 -9.330 0.912 12.331 131 HG SER 23 HG SER 23 -10.069 0.933 9.589 132 H LEU 24 H LEU 24 -6.775 -1.331 10.374 133 HA LEU 24 HA LEU 24 -7.150 -1.117 7.469 134 HB2 LEU 24 1HB LEU 24 -4.902 -0.622 7.558 135 HB3 LEU 24 2HB LEU 24 -4.629 -1.635 8.975 136 HG LEU 24 HG LEU 24 -4.860 -3.637 7.525 137 HD11 LEU 24 1HD1 LEU 24 -5.367 -3.554 5.340 138 HD12 LEU 24 2HD1 LEU 24 -4.441 -2.078 5.072 139 HD13 LEU 24 3HD1 LEU 24 -6.066 -1.987 5.751 140 HD21 LEU 24 3HD2 LEU 24 -2.704 -1.890 7.800 141 HD22 LEU 24 1HD2 LEU 24 -2.735 -2.319 6.089 142 HD23 LEU 24 2HD2 LEU 24 -2.648 -3.585 7.314 143 H HIS 25 H HIS 25 -8.696 -2.627 7.207 144 HA HIS 25 HA HIS 25 -8.608 -5.136 8.642 145 HB2 HIS 25 1HB HIS 25 -10.756 -3.996 8.179 146 HB3 HIS 25 2HB HIS 25 -10.489 -4.225 6.454 147 HD1 HIS 25 1HD HIS 25 -12.560 -5.704 6.156 148 HD2 HIS 25 2HD HIS 25 -9.838 -7.181 8.926 149 HE1 HIS 25 1HE HIS 25 -13.295 -8.061 6.630 150 HE2 HIS 25 2HE HIS 25 -11.684 -8.906 8.372 151 H VAL 26 H VAL 26 -8.071 -7.112 7.841 152 HA VAL 26 HA VAL 26 -7.395 -7.358 5.005 153 HB VAL 26 HB VAL 26 -5.256 -8.435 5.487 154 HG11 VAL 26 1HG1 VAL 26 -5.838 -5.636 6.103 155 HG12 VAL 26 2HG1 VAL 26 -4.312 -6.216 6.773 156 HG13 VAL 26 3HG1 VAL 26 -4.617 -6.334 5.040 157 HG21 VAL 26 3HG2 VAL 26 -6.037 -7.882 8.327 158 HG22 VAL 26 1HG2 VAL 26 -5.455 -9.381 7.604 159 HG23 VAL 26 2HG2 VAL 26 -4.342 -8.039 7.868 160 H ARG 27 H ARG 27 -7.950 -9.279 4.159 161 HA ARG 27 HA ARG 27 -8.585 -11.477 6.013 162 HB2 ARG 27 1HB ARG 27 -10.229 -10.310 3.803 163 HB3 ARG 27 2HB ARG 27 -10.368 -12.026 4.159 164 HG2 ARG 27 1HG ARG 27 -10.845 -11.382 6.543 165 HG3 ARG 27 2HG ARG 27 -10.963 -9.713 5.981 166 HD2 ARG 27 1HD ARG 27 -12.537 -11.789 4.551 167 HD3 ARG 27 2HD ARG 27 -13.085 -11.291 6.151 168 HE ARG 27 HE ARG 27 -12.721 -8.936 4.906 169 HH11 ARG 27 1HH1 ARG 27 -14.402 -11.843 3.987 170 HH12 ARG 27 2HH1 ARG 27 -15.581 -11.013 3.027 171 HH21 ARG 27 1HH2 ARG 27 -14.267 -7.832 3.645 172 HH22 ARG 27 2HH2 ARG 27 -15.503 -8.731 2.832 173 HA PRO 28 HA PRO 28 -5.585 -13.328 3.203 174 HB2 PRO 28 1HB PRO 28 -5.128 -15.498 4.770 175 HB3 PRO 28 2HB PRO 28 -4.378 -13.925 5.064 176 HG2 PRO 28 1HG PRO 28 -6.767 -15.159 6.379 177 HG3 PRO 28 2HG PRO 28 -5.423 -14.265 7.113 178 HD2 PRO 28 1HD PRO 28 -7.832 -13.131 6.624 179 HD3 PRO 28 2HD PRO 28 -6.313 -12.215 6.549 180 H GLN 29 H GLN 29 -6.741 -14.027 1.463 181 HA GLN 29 HA GLN 29 -8.701 -16.154 1.771 182 HB2 GLN 29 1HB GLN 29 -7.841 -14.869 -0.815 183 HB3 GLN 29 2HB GLN 29 -9.349 -15.706 -0.468 184 HG2 GLN 29 1HG GLN 29 -8.560 -13.147 0.890 185 HG3 GLN 29 2HG GLN 29 -9.465 -13.194 -0.622 186 HE21 GLN 29 1HE2 GLN 29 -10.834 -11.936 1.068 187 HE22 GLN 29 2HE2 GLN 29 -12.041 -12.878 1.868 188 H THR 30 H THR 30 -8.633 -17.865 -0.061 189 HA THR 30 HA THR 30 -6.573 -19.618 0.380 190 HB THR 30 HB THR 30 -7.760 -19.629 -2.354 191 HG1 THR 30 1HG THR 30 -9.656 -20.654 -1.115 192 HG21 THR 30 3HG2 THR 30 -6.457 -21.525 -1.805 193 HG22 THR 30 1HG2 THR 30 -8.135 -22.044 -1.651 194 HG23 THR 30 2HG2 THR 30 -7.193 -21.665 -0.209 195 H ASN 31 H ASN 31 -6.932 -17.918 -2.735 196 HA ASN 31 HA ASN 31 -3.992 -17.849 -2.919 197 HB2 ASN 31 1HB ASN 31 -6.030 -17.970 -5.154 198 HB3 ASN 31 2HB ASN 31 -4.286 -17.865 -5.373 199 HD21 ASN 31 1HD2 ASN 31 -3.180 -19.605 -3.804 200 HD22 ASN 31 2HD2 ASN 31 -3.772 -21.208 -4.058 201 H CYS 32 H CYS 32 -5.953 -15.877 -1.764 202 HA CYS 32 HA CYS 32 -4.787 -13.536 -3.001 203 HB2 CYS 32 1HB CYS 32 -7.796 -13.739 -2.821 204 HB3 CYS 32 2HB CYS 32 -6.855 -12.427 -3.519 205 HG CYS 32 HG CYS 32 -7.484 -15.507 -4.816 206 H ILE 33 H ILE 33 -5.672 -11.499 -1.820 207 HA ILE 33 HA ILE 33 -6.539 -11.955 0.898 208 HB ILE 33 HB ILE 33 -3.832 -10.700 0.440 209 HG12 ILE 33 1HG1 ILE 33 -4.591 -13.437 1.474 210 HG13 ILE 33 2HG1 ILE 33 -3.638 -13.070 0.041 211 HG21 ILE 33 1HG2 ILE 33 -4.605 -11.589 3.120 212 HG22 ILE 33 2HG2 ILE 33 -3.828 -10.096 2.598 213 HG23 ILE 33 3HG2 ILE 33 -5.579 -10.266 2.482 214 HD11 ILE 33 3HD1 ILE 33 -2.727 -13.579 2.642 215 HD12 ILE 33 1HD1 ILE 33 -1.780 -13.104 1.233 216 HD13 ILE 33 2HD1 ILE 33 -2.414 -11.872 2.325 217 H ILE 34 H ILE 34 -8.162 -10.519 0.850 218 HA ILE 34 HA ILE 34 -7.855 -7.944 -0.438 219 HB ILE 34 HB ILE 34 -10.163 -9.216 1.028 220 HG12 ILE 34 1HG1 ILE 34 -11.197 -9.070 -1.263 221 HG13 ILE 34 2HG1 ILE 34 -9.629 -8.551 -1.873 222 HG21 ILE 34 1HG2 ILE 34 -9.694 -6.418 0.316 223 HG22 ILE 34 2HG2 ILE 34 -11.222 -7.066 -0.277 224 HG23 ILE 34 3HG2 ILE 34 -10.850 -7.125 1.445 225 HD11 ILE 34 3HD1 ILE 34 -9.863 -11.103 -0.348 226 HD12 ILE 34 1HD1 ILE 34 -10.326 -11.036 -2.048 227 HD13 ILE 34 2HD1 ILE 34 -8.680 -10.626 -1.565 228 H MET 35 H MET 35 -7.628 -5.997 0.540 229 HA MET 35 HA MET 35 -7.673 -5.899 3.474 230 HB2 MET 35 1HB MET 35 -5.641 -4.274 3.159 231 HB3 MET 35 2HB MET 35 -5.382 -6.012 3.221 232 HG2 MET 35 1HG MET 35 -5.244 -6.114 0.812 233 HG3 MET 35 2HG MET 35 -5.612 -4.395 0.695 234 HE1 MET 35 3HE MET 35 -3.648 -2.428 1.113 235 HE2 MET 35 1HE MET 35 -4.222 -2.948 2.698 236 HE3 MET 35 2HE MET 35 -2.492 -2.789 2.396 237 H SER 36 H SER 36 -8.825 -4.246 4.226 238 HA SER 36 HA SER 36 -9.279 -1.936 2.452 239 HB2 SER 36 1HB SER 36 -11.318 -3.247 2.545 240 HB3 SER 36 2HB SER 36 -11.256 -3.284 4.307 241 HG SER 36 HG SER 36 -12.691 -1.682 3.579 242 H TRP 37 H TRP 37 -8.310 -0.211 3.271 243 HA TRP 37 HA TRP 37 -8.152 0.072 6.196 244 HB2 TRP 37 1HB TRP 37 -6.268 1.611 5.776 245 HB3 TRP 37 2HB TRP 37 -5.974 0.011 5.099 246 HD1 TRP 37 HD TRP 37 -6.279 3.641 4.130 247 HE1 TRP 37 1HE TRP 37 -5.815 3.897 1.611 248 HE3 TRP 37 3HE TRP 37 -6.284 -1.295 2.798 249 HZ2 TRP 37 2HZ TRP 37 -5.493 2.227 -0.642 250 HZ3 TRP 37 3HZ TRP 37 -5.890 -1.881 0.440 251 HH2 TRP 37 HH TRP 37 -5.504 -0.155 -1.242 252 H THR 38 H THR 38 -7.866 2.579 6.729 253 HA THR 38 HA THR 38 -9.974 4.060 5.305 254 HB THR 38 HB THR 38 -10.248 5.037 7.821 255 HG1 THR 38 1HG THR 38 -9.772 2.238 8.099 256 HG21 THR 38 3HG2 THR 38 -12.254 3.539 7.981 257 HG22 THR 38 1HG2 THR 38 -11.675 2.709 6.538 258 HG23 THR 38 2HG2 THR 38 -12.114 4.416 6.458 259 HA PRO 39 HA PRO 39 -7.333 7.564 5.296 260 HB2 PRO 39 1HB PRO 39 -9.008 9.614 5.900 261 HB3 PRO 39 2HB PRO 39 -9.049 8.764 4.351 262 HG2 PRO 39 1HG PRO 39 -10.798 8.407 6.754 263 HG3 PRO 39 2HG PRO 39 -11.249 8.458 5.040 264 HD2 PRO 39 1HD PRO 39 -11.009 6.138 6.416 265 HD3 PRO 39 2HD PRO 39 -10.636 6.264 4.685 266 HA PRO 40 HA PRO 40 -5.848 8.707 9.274 267 HB2 PRO 40 1HB PRO 40 -5.074 11.286 8.922 268 HB3 PRO 40 2HB PRO 40 -4.201 9.917 8.224 269 HG2 PRO 40 1HG PRO 40 -6.185 11.752 6.939 270 HG3 PRO 40 2HG PRO 40 -4.652 11.136 6.296 271 HD2 PRO 40 1HD PRO 40 -7.049 10.084 5.605 272 HD3 PRO 40 2HD PRO 40 -5.570 9.106 5.705 273 H LEU 41 H LEU 41 -6.825 9.205 11.132 274 HA LEU 41 HA LEU 41 -9.343 10.232 11.406 275 HB2 LEU 41 1HB LEU 41 -7.004 10.153 13.269 276 HB3 LEU 41 2HB LEU 41 -8.515 10.910 13.770 277 HG LEU 41 HG LEU 41 -8.594 8.124 12.714 278 HD11 LEU 41 1HD1 LEU 41 -6.704 8.437 14.455 279 HD12 LEU 41 2HD1 LEU 41 -7.864 7.126 14.668 280 HD13 LEU 41 3HD1 LEU 41 -8.026 8.609 15.609 281 HD21 LEU 41 3HD2 LEU 41 -10.721 8.763 13.202 282 HD22 LEU 41 1HD2 LEU 41 -10.213 9.903 14.449 283 HD23 LEU 41 2HD2 LEU 41 -10.245 8.174 14.796 284 H ASN 42 H ASN 42 -6.477 11.955 10.697 285 HA ASN 42 HA ASN 42 -7.700 14.519 11.430 286 HB2 ASN 42 1HB ASN 42 -5.213 13.738 11.950 287 HB3 ASN 42 2HB ASN 42 -4.935 14.350 10.322 288 HD21 ASN 42 1HD2 ASN 42 -3.971 16.240 10.544 289 HD22 ASN 42 2HD2 ASN 42 -4.501 17.531 11.563 290 HA PRO 43 HA PRO 43 -8.741 14.545 7.013 291 HB2 PRO 43 1HB PRO 43 -10.672 16.435 7.269 292 HB3 PRO 43 2HB PRO 43 -10.950 14.725 7.617 293 HG2 PRO 43 1HG PRO 43 -10.385 16.975 9.509 294 HG3 PRO 43 2HG PRO 43 -11.564 15.658 9.657 295 HD2 PRO 43 1HD PRO 43 -9.180 15.630 10.941 296 HD3 PRO 43 2HD PRO 43 -9.976 14.149 10.373 297 H ASN 44 H ASN 44 -7.165 16.676 9.016 298 HA ASN 44 HA ASN 44 -7.129 18.914 7.158 299 HB2 ASN 44 1HB ASN 44 -5.700 18.510 9.796 300 HB3 ASN 44 2HB ASN 44 -5.692 19.999 8.854 301 HD21 ASN 44 1HD2 ASN 44 -7.879 17.700 10.415 302 HD22 ASN 44 2HD2 ASN 44 -9.060 18.872 10.880 303 H ILE 45 H ILE 45 -5.777 16.051 6.989 304 HA ILE 45 HA ILE 45 -3.134 17.038 6.143 305 HB ILE 45 HB ILE 45 -3.881 14.181 6.766 306 HG12 ILE 45 1HG1 ILE 45 -4.052 15.512 8.797 307 HG13 ILE 45 2HG1 ILE 45 -2.608 14.509 8.866 308 HG21 ILE 45 1HG2 ILE 45 -1.488 15.523 5.734 309 HG22 ILE 45 2HG2 ILE 45 -1.188 14.400 7.060 310 HG23 ILE 45 3HG2 ILE 45 -1.997 13.840 5.596 311 HD11 ILE 45 3HD1 ILE 45 -2.118 16.700 9.713 312 HD12 ILE 45 1HD1 ILE 45 -1.266 16.460 8.188 313 HD13 ILE 45 2HD1 ILE 45 -2.727 17.447 8.236 314 H VAL 46 H VAL 46 -2.255 16.287 4.171 315 HA VAL 46 HA VAL 46 -4.295 15.678 2.170 316 HB VAL 46 HB VAL 46 -1.403 16.477 1.806 317 HG11 VAL 46 1HG1 VAL 46 -2.071 16.877 -0.544 318 HG12 VAL 46 2HG1 VAL 46 -2.166 15.178 -0.078 319 HG13 VAL 46 3HG1 VAL 46 -3.637 16.145 -0.193 320 HG21 VAL 46 3HG2 VAL 46 -3.961 18.062 1.616 321 HG22 VAL 46 1HG2 VAL 46 -2.639 18.296 2.760 322 HG23 VAL 46 2HG2 VAL 46 -2.393 18.635 1.047 323 H VAL 47 H VAL 47 -4.243 13.902 0.836 324 HA VAL 47 HA VAL 47 -2.163 11.887 1.355 325 HB VAL 47 HB VAL 47 -5.098 11.238 1.068 326 HG11 VAL 47 1HG1 VAL 47 -4.246 9.243 0.511 327 HG12 VAL 47 2HG1 VAL 47 -2.634 9.664 1.093 328 HG13 VAL 47 3HG1 VAL 47 -3.860 9.092 2.225 329 HG21 VAL 47 3HG2 VAL 47 -3.427 11.815 3.445 330 HG22 VAL 47 1HG2 VAL 47 -5.152 12.071 3.180 331 HG23 VAL 47 2HG2 VAL 47 -4.547 10.458 3.559 332 H ARG 48 H ARG 48 -1.171 11.375 -0.471 333 HA ARG 48 HA ARG 48 -2.558 11.795 -3.018 334 HB2 ARG 48 1HB ARG 48 0.364 11.155 -2.698 335 HB3 ARG 48 2HB ARG 48 -0.441 11.946 -4.046 336 HG2 ARG 48 1HG ARG 48 -0.021 13.106 -1.299 337 HG3 ARG 48 2HG ARG 48 0.864 13.535 -2.765 338 HD2 ARG 48 1HD ARG 48 -2.073 13.724 -2.934 339 HD3 ARG 48 2HD ARG 48 -1.293 14.877 -1.853 340 HE ARG 48 HE ARG 48 -0.308 15.901 -3.680 341 HH11 ARG 48 1HH1 ARG 48 -1.933 12.977 -4.645 342 HH12 ARG 48 2HH1 ARG 48 -1.837 13.327 -6.339 343 HH21 ARG 48 1HH2 ARG 48 -0.176 16.374 -5.907 344 HH22 ARG 48 2HH2 ARG 48 -0.836 15.259 -7.056 345 H GLY 49 H GLY 49 -1.780 9.328 -0.882 346 HA2 GLY 49 1HA GLY 49 -2.943 7.241 -2.094 347 HA3 GLY 49 2HA GLY 49 -1.379 7.273 -2.895 348 H TYR 50 H TYR 50 -1.409 5.049 -1.876 349 HA TYR 50 HA TYR 50 0.053 5.207 0.646 350 HB2 TYR 50 1HB TYR 50 -1.949 3.011 0.437 351 HB3 TYR 50 2HB TYR 50 -1.318 3.824 1.865 352 HD1 TYR 50 2HD TYR 50 -3.708 4.129 -0.939 353 HD2 TYR 50 1HD TYR 50 -2.443 5.689 2.812 354 HE1 TYR 50 2HE TYR 50 -5.747 5.501 -0.829 355 HE2 TYR 50 1HE TYR 50 -4.479 7.065 2.933 356 HH TYR 50 HH TYR 50 -6.169 8.036 0.869 357 H ILE 51 H ILE 51 1.338 3.323 1.092 358 HA ILE 51 HA ILE 51 2.010 1.840 -1.358 359 HB ILE 51 HB ILE 51 3.743 2.239 1.082 360 HG12 ILE 51 1HG1 ILE 51 4.107 3.603 -1.578 361 HG13 ILE 51 2HG1 ILE 51 3.126 4.323 -0.307 362 HG21 ILE 51 1HG2 ILE 51 4.240 0.234 -0.245 363 HG22 ILE 51 2HG2 ILE 51 4.421 1.240 -1.681 364 HG23 ILE 51 3HG2 ILE 51 5.541 1.421 -0.330 365 HD11 ILE 51 3HD1 ILE 51 6.065 3.723 -0.259 366 HD12 ILE 51 1HD1 ILE 51 5.265 5.290 -0.141 367 HD13 ILE 51 2HD1 ILE 51 5.143 4.136 1.187 368 H ILE 52 H ILE 52 1.205 -0.147 -1.410 369 HA ILE 52 HA ILE 52 0.651 -1.573 1.071 370 HB ILE 52 HB ILE 52 -0.013 -2.218 -1.801 371 HG12 ILE 52 1HG1 ILE 52 -1.881 -1.630 0.495 372 HG13 ILE 52 2HG1 ILE 52 -1.258 -0.369 -0.564 373 HG21 ILE 52 1HG2 ILE 52 0.444 -4.249 -0.436 374 HG22 ILE 52 2HG2 ILE 52 -0.848 -3.750 0.654 375 HG23 ILE 52 3HG2 ILE 52 -1.214 -4.141 -1.026 376 HD11 ILE 52 3HD1 ILE 52 -2.876 -0.783 -2.004 377 HD12 ILE 52 1HD1 ILE 52 -2.304 -2.441 -2.189 378 HD13 ILE 52 2HD1 ILE 52 -3.495 -2.052 -0.947 379 H GLY 53 H GLY 53 2.469 -2.452 1.901 380 HA2 GLY 53 1HA GLY 53 4.262 -3.923 0.089 381 HA3 GLY 53 2HA GLY 53 4.678 -3.361 1.702 382 H TYR 54 H TYR 54 3.184 -5.868 -0.169 383 HA TYR 54 HA TYR 54 2.755 -7.439 2.284 384 HB2 TYR 54 1HB TYR 54 1.146 -8.758 1.049 385 HB3 TYR 54 2HB TYR 54 0.740 -7.054 0.877 386 HD1 TYR 54 1HD TYR 54 1.630 -5.875 -1.266 387 HD2 TYR 54 2HD TYR 54 1.304 -10.097 -0.843 388 HE1 TYR 54 1HE TYR 54 1.640 -6.115 -3.714 389 HE2 TYR 54 2HE TYR 54 1.315 -10.348 -3.290 390 HH TYR 54 HH TYR 54 0.639 -8.095 -5.372 391 H GLY 55 H GLY 55 3.369 -9.664 2.283 392 HA2 GLY 55 1HA GLY 55 4.711 -10.978 0.212 393 HA3 GLY 55 2HA GLY 55 5.920 -10.143 1.177 394 H VAL 56 H VAL 56 5.694 -12.971 0.838 395 HA VAL 56 HA VAL 56 4.465 -14.137 3.136 396 HB VAL 56 HB VAL 56 6.497 -15.220 1.186 397 HG11 VAL 56 1HG1 VAL 56 5.516 -16.307 3.730 398 HG12 VAL 56 2HG1 VAL 56 5.410 -17.414 2.360 399 HG13 VAL 56 3HG1 VAL 56 6.964 -16.706 2.806 400 HG21 VAL 56 3HG2 VAL 56 3.521 -15.442 1.480 401 HG22 VAL 56 1HG2 VAL 56 4.467 -14.987 0.063 402 HG23 VAL 56 2HG2 VAL 56 4.446 -16.664 0.608 403 H GLY 57 H GLY 57 5.172 -13.750 5.133 404 HA2 GLY 57 1HA GLY 57 6.638 -13.951 6.929 405 HA3 GLY 57 2HA GLY 57 7.932 -14.312 5.797 406 H SER 58 H SER 58 7.275 -11.876 4.208 407 HA SER 58 HA SER 58 7.993 -9.732 6.055 408 HB2 SER 58 1HB SER 58 9.642 -9.983 3.571 409 HB3 SER 58 2HB SER 58 10.037 -9.207 5.105 410 HG SER 58 HG SER 58 11.158 -11.016 5.282 411 HA PRO 59 HA PRO 59 5.114 -7.675 3.383 412 HB2 PRO 59 1HB PRO 59 5.366 -5.209 4.491 413 HB3 PRO 59 2HB PRO 59 4.455 -6.517 5.255 414 HG2 PRO 59 1HG PRO 59 7.241 -5.571 5.811 415 HG3 PRO 59 2HG PRO 59 5.965 -6.027 6.955 416 HD2 PRO 59 1HD PRO 59 7.995 -7.693 6.298 417 HD3 PRO 59 2HD PRO 59 6.370 -8.282 6.703 418 H TYR 60 H TYR 60 8.251 -7.763 2.978 419 HA TYR 60 HA TYR 60 8.378 -5.411 1.208 420 HB2 TYR 60 1HB TYR 60 10.796 -6.936 2.132 421 HB3 TYR 60 2HB TYR 60 10.692 -5.277 1.553 422 HD1 TYR 60 1HD TYR 60 9.133 -3.721 3.072 423 HD2 TYR 60 2HD TYR 60 11.098 -7.256 4.394 424 HE1 TYR 60 1HE TYR 60 9.007 -2.916 5.392 425 HE2 TYR 60 2HE TYR 60 10.977 -6.461 6.718 426 HH TYR 60 HH TYR 60 10.665 -4.533 7.990 427 H ALA 61 H ALA 61 7.303 -8.204 0.755 428 HA ALA 61 HA ALA 61 9.124 -9.255 -1.257 429 HB1 ALA 61 3HB ALA 61 7.861 -11.193 -1.246 430 HB2 ALA 61 1HB ALA 61 7.698 -10.629 0.417 431 HB3 ALA 61 2HB ALA 61 6.393 -10.358 -0.738 432 H GLU 62 H GLU 62 6.187 -7.404 -1.039 433 HA GLU 62 HA GLU 62 6.309 -6.856 -3.881 434 HB2 GLU 62 1HB GLU 62 4.048 -8.354 -2.600 435 HB3 GLU 62 2HB GLU 62 3.740 -7.300 -3.973 436 HG2 GLU 62 1HG GLU 62 5.702 -9.581 -3.967 437 HG3 GLU 62 2HG GLU 62 4.059 -9.661 -4.600 438 H THR 63 H THR 63 5.906 -4.772 -4.218 439 HA THR 63 HA THR 63 4.368 -3.300 -2.178 440 HB THR 63 HB THR 63 5.861 -1.351 -3.365 441 HG1 THR 63 1HG THR 63 7.451 -3.715 -3.230 442 HG21 THR 63 3HG2 THR 63 6.097 -2.948 -0.876 443 HG22 THR 63 1HG2 THR 63 5.847 -1.216 -1.090 444 HG23 THR 63 2HG2 THR 63 7.456 -1.907 -1.297 445 H VAL 64 H VAL 64 2.859 -1.822 -2.854 446 HA VAL 64 HA VAL 64 2.572 -1.272 -5.704 447 HB VAL 64 HB VAL 64 0.572 -2.799 -4.073 448 HG11 VAL 64 1HG1 VAL 64 -0.886 -1.150 -4.732 449 HG12 VAL 64 2HG1 VAL 64 0.016 -0.788 -6.205 450 HG13 VAL 64 3HG1 VAL 64 -0.976 -2.244 -6.112 451 HG21 VAL 64 3HG2 VAL 64 0.366 -4.002 -6.291 452 HG22 VAL 64 1HG2 VAL 64 1.751 -3.052 -6.830 453 HG23 VAL 64 2HG2 VAL 64 1.917 -4.159 -5.467 454 H ARG 65 H ARG 65 2.480 0.871 -5.772 455 HA ARG 65 HA ARG 65 1.360 2.381 -3.560 456 HB2 ARG 65 1HB ARG 65 3.037 2.994 -5.935 457 HB3 ARG 65 2HB ARG 65 2.023 4.291 -5.316 458 HG2 ARG 65 1HG ARG 65 3.207 4.487 -3.383 459 HG3 ARG 65 2HG ARG 65 3.682 2.787 -3.372 460 HD2 ARG 65 1HD ARG 65 4.773 4.930 -5.194 461 HD3 ARG 65 2HD ARG 65 5.598 4.235 -3.800 462 HE ARG 65 HE ARG 65 5.072 2.071 -5.319 463 HH11 ARG 65 1HH1 ARG 65 6.548 5.148 -6.010 464 HH12 ARG 65 2HH1 ARG 65 7.578 4.521 -7.254 465 HH21 ARG 65 1HH2 ARG 65 6.423 1.235 -6.956 466 HH22 ARG 65 2HH2 ARG 65 7.505 2.295 -7.792 467 H VAL 66 H VAL 66 -0.740 2.794 -3.481 468 HA VAL 66 HA VAL 66 -2.253 2.981 -5.995 469 HB VAL 66 HB VAL 66 -4.255 2.825 -4.358 470 HG11 VAL 66 1HG1 VAL 66 -2.442 0.455 -4.799 471 HG12 VAL 66 2HG1 VAL 66 -4.161 0.382 -4.409 472 HG13 VAL 66 3HG1 VAL 66 -3.632 1.077 -5.942 473 HG21 VAL 66 3HG2 VAL 66 -2.511 1.265 -2.565 474 HG22 VAL 66 1HG2 VAL 66 -2.362 3.019 -2.448 475 HG23 VAL 66 2HG2 VAL 66 -3.929 2.248 -2.199 476 H ASP 67 H ASP 67 -4.314 4.443 -5.628 477 HA ASP 67 HA ASP 67 -3.277 7.096 -5.091 478 HB2 ASP 67 1HB ASP 67 -6.093 6.447 -5.940 479 HB3 ASP 67 2HB ASP 67 -5.177 7.925 -6.223 480 H SER 68 H SER 68 -4.613 8.668 -3.864 481 HA SER 68 HA SER 68 -5.115 7.682 -1.245 482 HB2 SER 68 1HB SER 68 -4.284 9.897 -1.381 483 HB3 SER 68 2HB SER 68 -5.512 10.371 -2.554 484 HG SER 68 HG SER 68 -6.547 11.049 -0.856 485 H LYS 69 H LYS 69 -6.924 7.308 -3.904 486 HA LYS 69 HA LYS 69 -9.512 7.794 -2.633 487 HB2 LYS 69 1HB LYS 69 -10.309 6.938 -4.964 488 HB3 LYS 69 2HB LYS 69 -9.633 8.555 -4.818 489 HG2 LYS 69 1HG LYS 69 -7.530 7.824 -5.698 490 HG3 LYS 69 2HG LYS 69 -8.054 6.139 -5.673 491 HD2 LYS 69 1HD LYS 69 -8.337 6.746 -7.900 492 HD3 LYS 69 2HD LYS 69 -9.955 6.946 -7.225 493 HE2 LYS 69 1HE LYS 69 -9.316 9.381 -6.844 494 HE3 LYS 69 2HE LYS 69 -7.928 9.067 -7.885 495 HZ1 LYS 69 3HZ LYS 69 -9.262 8.756 -9.717 496 HZ2 LYS 69 1HZ LYS 69 -10.099 9.982 -8.904 497 HZ3 LYS 69 2HZ LYS 69 -10.638 8.382 -8.807 498 H GLN 70 H GLN 70 -7.357 5.224 -3.519 499 HA GLN 70 HA GLN 70 -9.229 3.095 -3.437 500 HB2 GLN 70 1HB GLN 70 -6.285 2.883 -2.821 501 HB3 GLN 70 2HB GLN 70 -7.344 1.634 -3.463 502 HG2 GLN 70 1HG GLN 70 -6.345 4.096 -4.865 503 HG3 GLN 70 2HG GLN 70 -5.984 2.412 -5.242 504 HE21 GLN 70 1HE2 GLN 70 -8.775 4.573 -4.885 505 HE22 GLN 70 2HE2 GLN 70 -9.649 3.947 -6.238 506 H ARG 71 H ARG 71 -10.315 2.400 -1.730 507 HA ARG 71 HA ARG 71 -9.245 2.912 0.950 508 HB2 ARG 71 1HB ARG 71 -11.407 3.730 0.931 509 HB3 ARG 71 2HB ARG 71 -11.983 2.477 -0.161 510 HG2 ARG 71 1HG ARG 71 -12.116 0.886 1.569 511 HG3 ARG 71 2HG ARG 71 -11.173 1.893 2.669 512 HD2 ARG 71 1HD ARG 71 -13.258 2.340 3.468 513 HD3 ARG 71 2HD ARG 71 -13.160 3.587 2.226 514 HE ARG 71 HE ARG 71 -14.851 1.246 2.217 515 HH11 ARG 71 1HH1 ARG 71 -13.401 3.786 0.330 516 HH12 ARG 71 2HH1 ARG 71 -14.567 3.682 -0.947 517 HH21 ARG 71 1HH2 ARG 71 -16.393 1.099 0.542 518 HH22 ARG 71 2HH2 ARG 71 -16.269 2.154 -0.824 519 H TYR 72 H TYR 72 -9.163 0.511 -1.265 520 HA TYR 72 HA TYR 72 -8.340 -1.455 0.613 521 HB2 TYR 72 1HB TYR 72 -10.082 -2.953 0.644 522 HB3 TYR 72 2HB TYR 72 -10.987 -1.447 0.548 523 HD1 TYR 72 1HD TYR 72 -11.969 -0.735 -1.623 524 HD2 TYR 72 2HD TYR 72 -10.141 -4.545 -1.128 525 HE1 TYR 72 1HE TYR 72 -13.077 -1.526 -3.671 526 HE2 TYR 72 2HE TYR 72 -11.243 -5.346 -3.175 527 HH TYR 72 HH TYR 72 -12.935 -4.885 -4.656 528 H TYR 73 H TYR 73 -7.432 -3.314 -0.386 529 HA TYR 73 HA TYR 73 -7.293 -3.274 -3.313 530 HB2 TYR 73 1HB TYR 73 -5.334 -2.026 -2.358 531 HB3 TYR 73 2HB TYR 73 -4.839 -3.517 -1.566 532 HD1 TYR 73 2HD TYR 73 -4.406 -5.558 -3.077 533 HD2 TYR 73 1HD TYR 73 -4.641 -1.569 -4.539 534 HE1 TYR 73 2HE TYR 73 -3.186 -6.234 -5.103 535 HE2 TYR 73 1HE TYR 73 -3.423 -2.235 -6.569 536 HH TYR 73 HH TYR 73 -3.016 -4.328 -7.868 537 H SER 74 H SER 74 -7.515 -5.236 -4.169 538 HA SER 74 HA SER 74 -7.467 -7.544 -2.374 539 HB2 SER 74 1HB SER 74 -8.441 -7.454 -5.234 540 HB3 SER 74 2HB SER 74 -8.781 -8.689 -4.022 541 HG SER 74 HG SER 74 -9.608 -6.551 -2.895 542 H ILE 75 H ILE 75 -5.467 -8.362 -2.195 543 HA ILE 75 HA ILE 75 -3.648 -8.421 -4.439 544 HB ILE 75 HB ILE 75 -3.266 -9.730 -1.749 545 HG12 ILE 75 1HG1 ILE 75 -2.566 -6.914 -2.611 546 HG13 ILE 75 2HG1 ILE 75 -3.799 -7.357 -1.434 547 HG21 ILE 75 1HG2 ILE 75 -1.782 -10.111 -3.909 548 HG22 ILE 75 2HG2 ILE 75 -1.055 -8.597 -3.374 549 HG23 ILE 75 3HG2 ILE 75 -1.070 -9.995 -2.300 550 HD11 ILE 75 3HD1 ILE 75 -1.552 -6.535 -0.562 551 HD12 ILE 75 1HD1 ILE 75 -2.217 -8.006 0.148 552 HD13 ILE 75 2HD1 ILE 75 -0.927 -8.110 -1.051 553 H GLU 76 H GLU 76 -3.750 -9.939 -5.946 554 HA GLU 76 HA GLU 76 -4.678 -12.628 -5.178 555 HB2 GLU 76 1HB GLU 76 -4.775 -11.344 -7.913 556 HB3 GLU 76 2HB GLU 76 -5.415 -12.923 -7.481 557 HG2 GLU 76 1HG GLU 76 -6.775 -11.477 -5.729 558 HG3 GLU 76 2HG GLU 76 -6.495 -10.221 -6.933 559 H ARG 77 H ARG 77 -3.867 -14.231 -7.068 560 HA ARG 77 HA ARG 77 -2.115 -15.358 -7.991 561 HB2 ARG 77 1HB ARG 77 -0.511 -12.810 -7.808 562 HB3 ARG 77 2HB ARG 77 -0.268 -14.163 -8.906 563 HG2 ARG 77 1HG ARG 77 -2.723 -12.429 -8.945 564 HG3 ARG 77 2HG ARG 77 -1.287 -12.112 -9.921 565 HD2 ARG 77 1HD ARG 77 -2.563 -14.809 -10.008 566 HD3 ARG 77 2HD ARG 77 -3.289 -13.477 -10.908 567 HE ARG 77 HE ARG 77 -0.674 -13.402 -11.638 568 HH11 ARG 77 1HH1 ARG 77 -3.116 -15.883 -11.623 569 HH12 ARG 77 2HH1 ARG 77 -2.457 -16.723 -12.987 570 HH21 ARG 77 1HH2 ARG 77 0.203 -14.498 -13.435 571 HH22 ARG 77 2HH2 ARG 77 -0.568 -15.935 -14.017 572 H LEU 78 H LEU 78 -2.527 -15.287 -5.161 573 HA LEU 78 HA LEU 78 0.229 -15.526 -4.154 574 HB2 LEU 78 1HB LEU 78 -2.293 -15.292 -2.528 575 HB3 LEU 78 2HB LEU 78 -0.633 -15.197 -1.944 576 HG LEU 78 HG LEU 78 -1.979 -13.171 -3.732 577 HD11 LEU 78 1HD1 LEU 78 -1.399 -11.862 -1.455 578 HD12 LEU 78 2HD1 LEU 78 -1.760 -13.462 -0.808 579 HD13 LEU 78 3HD1 LEU 78 -2.961 -12.614 -1.782 580 HD21 LEU 78 3HD2 LEU 78 0.200 -11.963 -2.661 581 HD22 LEU 78 1HD2 LEU 78 0.157 -12.712 -4.257 582 HD23 LEU 78 2HD2 LEU 78 0.798 -13.608 -2.880 583 H GLU 79 H GLU 79 0.450 -17.221 -2.384 584 HA GLU 79 HA GLU 79 -0.638 -19.719 -3.418 585 HB2 GLU 79 1HB GLU 79 1.098 -20.822 -2.257 586 HB3 GLU 79 2HB GLU 79 1.828 -19.363 -2.913 587 HG2 GLU 79 1HG GLU 79 1.198 -18.377 -0.564 588 HG3 GLU 79 2HG GLU 79 1.214 -20.076 -0.094 589 H SER 80 H SER 80 -0.747 -21.400 -1.372 590 HA SER 80 HA SER 80 -2.676 -20.196 0.504 591 HB2 SER 80 1HB SER 80 -4.113 -22.018 0.301 592 HB3 SER 80 2HB SER 80 -3.522 -21.836 -1.351 593 HG SER 80 HG SER 80 -1.932 -23.459 -0.802 594 H SER 81 H SER 81 -2.812 -21.168 2.603 595 HA SER 81 HA SER 81 -1.909 -21.933 4.545 596 HB2 SER 81 1HB SER 81 -1.015 -24.099 4.549 597 HB3 SER 81 2HB SER 81 -2.006 -24.081 3.090 598 HG SER 81 HG SER 81 -0.270 -24.290 1.917 599 H SER 82 H SER 82 -0.749 -19.684 3.860 600 HA SER 82 HA SER 82 1.945 -19.980 4.845 601 HB2 SER 82 1HB SER 82 1.376 -19.208 2.012 602 HB3 SER 82 2HB SER 82 2.719 -18.430 2.849 603 HG SER 82 HG SER 82 3.650 -20.195 2.042 604 H HIS 83 H HIS 83 2.647 -18.187 5.915 605 HA HIS 83 HA HIS 83 0.711 -16.198 6.565 606 HB2 HIS 83 1HB HIS 83 2.324 -16.964 8.226 607 HB3 HIS 83 2HB HIS 83 3.656 -16.373 7.237 608 HD1 HIS 83 1HD HIS 83 4.471 -14.745 9.047 609 HD2 HIS 83 2HD HIS 83 0.552 -14.081 7.839 610 HE1 HIS 83 1HE HIS 83 3.842 -12.508 10.007 611 HE2 HIS 83 2HE HIS 83 1.439 -12.166 9.334 612 H TYR 84 H TYR 84 0.542 -14.103 5.926 613 HA TYR 84 HA TYR 84 2.519 -13.089 4.003 614 HB2 TYR 84 1HB TYR 84 -0.397 -13.478 3.618 615 HB3 TYR 84 2HB TYR 84 0.287 -11.979 2.997 616 HD1 TYR 84 1HD TYR 84 0.425 -15.661 2.758 617 HD2 TYR 84 2HD TYR 84 1.657 -11.965 1.048 618 HE1 TYR 84 1HE TYR 84 1.200 -16.854 0.752 619 HE2 TYR 84 2HE TYR 84 2.435 -13.148 -0.963 620 HH TYR 84 HH TYR 84 1.941 -16.628 -1.354 621 H VAL 85 H VAL 85 3.434 -11.501 5.165 622 HA VAL 85 HA VAL 85 1.983 -9.882 7.024 623 HB VAL 85 HB VAL 85 4.709 -9.279 5.886 624 HG11 VAL 85 1HG1 VAL 85 3.244 -8.494 8.390 625 HG12 VAL 85 2HG1 VAL 85 4.995 -8.340 8.231 626 HG13 VAL 85 3HG1 VAL 85 3.928 -7.450 7.144 627 HG21 VAL 85 3HG2 VAL 85 5.705 -10.844 7.188 628 HG22 VAL 85 1HG2 VAL 85 4.473 -10.740 8.445 629 HG23 VAL 85 2HG2 VAL 85 4.158 -11.664 6.976 630 H ILE 86 H ILE 86 0.891 -8.066 6.660 631 HA ILE 86 HA ILE 86 1.287 -6.696 4.080 632 HB ILE 86 HB ILE 86 -1.263 -6.721 5.693 633 HG12 ILE 86 1HG1 ILE 86 -0.921 -8.199 3.108 634 HG13 ILE 86 2HG1 ILE 86 -0.404 -8.954 4.612 635 HG21 ILE 86 1HG2 ILE 86 -0.342 -5.336 3.292 636 HG22 ILE 86 2HG2 ILE 86 -1.893 -6.150 3.094 637 HG23 ILE 86 3HG2 ILE 86 -1.680 -4.959 4.377 638 HD11 ILE 86 3HD1 ILE 86 -3.163 -8.118 3.795 639 HD12 ILE 86 1HD1 ILE 86 -2.580 -9.722 4.239 640 HD13 ILE 86 2HD1 ILE 86 -2.743 -8.470 5.471 641 H SER 87 H SER 87 1.998 -4.676 4.185 642 HA SER 87 HA SER 87 1.506 -3.128 6.642 643 HB2 SER 87 1HB SER 87 4.058 -2.952 5.035 644 HB3 SER 87 2HB SER 87 3.730 -2.263 6.625 645 HG SER 87 HG SER 87 4.964 -4.373 6.396 646 H LEU 88 H LEU 88 0.138 -1.566 6.084 647 HA LEU 88 HA LEU 88 0.468 -0.257 3.472 648 HB2 LEU 88 1HB LEU 88 -1.711 -1.002 3.538 649 HB3 LEU 88 2HB LEU 88 -1.864 -0.719 5.271 650 HG LEU 88 HG LEU 88 -1.725 1.800 4.570 651 HD11 LEU 88 1HD1 LEU 88 -2.963 2.055 2.357 652 HD12 LEU 88 2HD1 LEU 88 -2.456 0.401 2.017 653 HD13 LEU 88 3HD1 LEU 88 -1.247 1.657 2.282 654 HD21 LEU 88 3HD2 LEU 88 -4.250 0.301 3.930 655 HD22 LEU 88 1HD2 LEU 88 -4.075 1.913 4.625 656 HD23 LEU 88 2HD2 LEU 88 -3.652 0.491 5.579 657 H LYS 89 H LYS 89 1.069 1.814 3.350 658 HA LYS 89 HA LYS 89 0.854 3.510 5.733 659 HB2 LYS 89 1HB LYS 89 3.094 4.168 5.714 660 HB3 LYS 89 2HB LYS 89 3.181 2.434 5.431 661 HG2 LYS 89 1HG LYS 89 3.624 2.739 3.127 662 HG3 LYS 89 2HG LYS 89 3.219 4.455 3.207 663 HD2 LYS 89 1HD LYS 89 5.528 4.511 3.221 664 HD3 LYS 89 2HD LYS 89 5.157 4.550 4.946 665 HE2 LYS 89 1HE LYS 89 5.347 1.976 4.803 666 HE3 LYS 89 2HE LYS 89 6.187 2.280 3.283 667 HZ1 LYS 89 3HZ LYS 89 7.756 2.094 5.087 668 HZ2 LYS 89 1HZ LYS 89 6.972 3.318 5.953 669 HZ3 LYS 89 2HZ LYS 89 7.759 3.681 4.501 670 H ALA 90 H ALA 90 0.465 5.651 5.328 671 HA ALA 90 HA ALA 90 -0.441 6.305 2.670 672 HB1 ALA 90 3HB ALA 90 -1.802 7.071 4.459 673 HB2 ALA 90 1HB ALA 90 -0.431 7.843 5.257 674 HB3 ALA 90 2HB ALA 90 -1.051 8.496 3.740 675 H PHE 91 H PHE 91 0.370 7.890 1.311 676 HA PHE 91 HA PHE 91 2.933 9.112 2.048 677 HB2 PHE 91 1HB PHE 91 3.972 8.493 -0.012 678 HB3 PHE 91 2HB PHE 91 3.287 7.024 0.674 679 HD1 PHE 91 1HD PHE 91 2.697 9.677 -1.841 680 HD2 PHE 91 2HD PHE 91 1.749 5.740 -0.530 681 HE1 PHE 91 1HE PHE 91 1.473 9.277 -3.938 682 HE2 PHE 91 2HE PHE 91 0.524 5.334 -2.624 683 HZ PHE 91 HZ PHE 91 0.385 7.103 -4.332 684 H ASN 92 H ASN 92 3.544 10.911 0.600 685 HA ASN 92 HA ASN 92 1.612 12.053 -1.159 686 HB2 ASN 92 1HB ASN 92 0.998 14.001 0.137 687 HB3 ASN 92 2HB ASN 92 0.571 12.556 1.048 688 HD21 ASN 92 1HD2 ASN 92 0.618 14.581 2.584 689 HD22 ASN 92 2HD2 ASN 92 2.075 14.733 3.501 690 H ASN 93 H ASN 93 2.288 14.598 -1.349 691 HA ASN 93 HA ASN 93 4.742 14.637 -2.620 692 HB2 ASN 93 1HB ASN 93 2.904 16.740 -1.577 693 HB3 ASN 93 2HB ASN 93 4.525 17.232 -2.061 694 HD21 ASN 93 1HD2 ASN 93 1.884 15.179 -3.252 695 HD22 ASN 93 2HD2 ASN 93 1.987 15.710 -4.894 696 H ALA 94 H ALA 94 4.040 14.852 0.740 697 HA ALA 94 HA ALA 94 6.576 16.044 1.459 698 HB1 ALA 94 3HB ALA 94 5.643 15.180 3.808 699 HB2 ALA 94 1HB ALA 94 5.092 16.674 3.050 700 HB3 ALA 94 2HB ALA 94 4.133 15.202 2.898 701 H GLY 95 H GLY 95 5.205 12.857 1.137 702 HA2 GLY 95 1HA GLY 95 7.144 11.227 0.713 703 HA3 GLY 95 2HA GLY 95 7.623 11.681 2.342 704 H GLU 96 H GLU 96 7.359 9.762 3.374 705 HA GLU 96 HA GLU 96 4.675 8.551 3.272 706 HB2 GLU 96 1HB GLU 96 7.226 7.190 4.139 707 HB3 GLU 96 2HB GLU 96 5.668 6.439 3.826 708 HG2 GLU 96 1HG GLU 96 5.859 6.786 1.498 709 HG3 GLU 96 2HG GLU 96 7.235 7.869 1.702 710 H GLY 97 H GLY 97 3.683 7.903 5.203 711 HA2 GLY 97 1HA GLY 97 4.796 9.212 7.605 712 HA3 GLY 97 2HA GLY 97 3.078 9.011 7.290 713 H VAL 98 H VAL 98 3.732 8.213 9.672 714 HA VAL 98 HA VAL 98 4.884 5.888 10.339 715 HB VAL 98 HB VAL 98 3.635 7.221 11.954 716 HG11 VAL 98 1HG1 VAL 98 1.512 6.878 10.120 717 HG12 VAL 98 2HG1 VAL 98 1.015 6.144 11.646 718 HG13 VAL 98 3HG1 VAL 98 1.531 7.831 11.604 719 HG21 VAL 98 3HG2 VAL 98 2.223 4.668 12.281 720 HG22 VAL 98 1HG2 VAL 98 3.958 4.526 11.999 721 HG23 VAL 98 2HG2 VAL 98 3.360 5.483 13.355 722 HA PRO 99 HA PRO 99 2.884 3.090 7.412 723 HB2 PRO 99 1HB PRO 99 4.708 1.105 7.734 724 HB3 PRO 99 2HB PRO 99 4.988 2.508 6.695 725 HG2 PRO 99 1HG PRO 99 5.941 1.999 9.486 726 HG3 PRO 99 2HG PRO 99 6.827 2.678 8.108 727 HD2 PRO 99 1HD PRO 99 5.787 4.221 10.075 728 HD3 PRO 99 2HD PRO 99 5.913 4.774 8.393 729 H LEU 100 H LEU 100 1.407 1.524 7.771 730 HA LEU 100 HA LEU 100 1.224 0.444 10.498 731 HB2 LEU 100 1HB LEU 100 -0.657 1.809 9.313 732 HB3 LEU 100 2HB LEU 100 -0.987 0.284 8.494 733 HG LEU 100 HG LEU 100 -1.063 -0.639 10.961 734 HD11 LEU 100 1HD1 LEU 100 -0.410 1.362 12.100 735 HD12 LEU 100 2HD1 LEU 100 -2.109 1.052 12.456 736 HD13 LEU 100 3HD1 LEU 100 -1.667 2.294 11.286 737 HD21 LEU 100 3HD2 LEU 100 -3.235 -0.888 10.517 738 HD22 LEU 100 1HD2 LEU 100 -2.921 0.022 9.039 739 HD23 LEU 100 2HD2 LEU 100 -3.513 0.854 10.477 740 H TYR 101 H TYR 101 1.677 -1.625 10.822 741 HA TYR 101 HA TYR 101 1.899 -3.401 8.503 742 HB2 TYR 101 1HB TYR 101 3.145 -3.320 11.210 743 HB3 TYR 101 2HB TYR 101 2.942 -4.893 10.446 744 HD1 TYR 101 1HD TYR 101 3.829 -1.573 8.987 745 HD2 TYR 101 2HD TYR 101 5.045 -5.578 9.750 746 HE1 TYR 101 1HE TYR 101 5.877 -1.194 7.678 747 HE2 TYR 101 2HE TYR 101 7.097 -5.210 8.445 748 HH TYR 101 HH TYR 101 8.489 -2.796 7.846 749 H GLU 102 H GLU 102 1.218 -5.680 8.798 750 HA GLU 102 HA GLU 102 -0.772 -6.270 10.786 751 HB2 GLU 102 1HB GLU 102 -1.821 -4.873 8.787 752 HB3 GLU 102 2HB GLU 102 -1.828 -6.446 8.002 753 HG2 GLU 102 1HG GLU 102 -3.927 -5.713 9.259 754 HG3 GLU 102 2HG GLU 102 -3.323 -7.346 9.531 755 H SER 103 H SER 103 -1.904 -8.447 10.118 756 HA SER 103 HA SER 103 0.034 -10.175 8.741 757 HB2 SER 103 1HB SER 103 -0.167 -11.866 10.487 758 HB3 SER 103 2HB SER 103 0.393 -10.349 11.189 759 HG SER 103 HG SER 103 -1.938 -11.733 11.618 760 H ALA 104 H ALA 104 -0.825 -11.919 7.647 761 HA ALA 104 HA ALA 104 -3.602 -12.631 7.885 762 HB1 ALA 104 3HB ALA 104 -3.331 -10.490 6.368 763 HB2 ALA 104 1HB ALA 104 -2.901 -11.694 5.152 764 HB3 ALA 104 2HB ALA 104 -4.470 -11.771 5.954 765 H THR 105 H THR 105 -3.314 -14.768 7.948 766 HA THR 105 HA THR 105 -1.375 -16.035 6.170 767 HB THR 105 HB THR 105 -3.048 -17.308 8.343 768 HG1 THR 105 1HG THR 105 -0.587 -15.960 8.374 769 HG21 THR 105 3HG2 THR 105 -0.768 -18.263 6.636 770 HG22 THR 105 1HG2 THR 105 -2.330 -19.030 6.922 771 HG23 THR 105 2HG2 THR 105 -1.117 -18.997 8.202 772 H THR 106 H THR 106 -2.064 -16.586 4.213 773 HA THR 106 HA THR 106 -4.604 -16.671 3.232 774 HB THR 106 HB THR 106 -3.715 -18.411 1.564 775 HG1 THR 106 1HG THR 106 -1.498 -18.799 1.674 776 HG21 THR 106 3HG2 THR 106 -2.485 -16.768 0.370 777 HG22 THR 106 1HG2 THR 106 -2.023 -15.935 1.853 778 HG23 THR 106 2HG2 THR 106 -3.698 -15.893 1.304 779 H ARG 107 H ARG 107 -5.756 -18.693 2.367 780 HA ARG 107 HA ARG 107 -6.343 -20.378 4.654 781 HB2 ARG 107 1HB ARG 107 -7.650 -20.524 1.943 782 HB3 ARG 107 2HB ARG 107 -8.303 -21.035 3.494 783 HG2 ARG 107 1HG ARG 107 -7.667 -18.165 2.882 784 HG3 ARG 107 2HG ARG 107 -9.230 -18.897 2.513 785 HD2 ARG 107 1HD ARG 107 -8.004 -18.983 5.258 786 HD3 ARG 107 2HD ARG 107 -9.039 -17.659 4.722 787 HE ARG 107 HE ARG 107 -10.271 -20.192 4.308 788 HH11 ARG 107 1HH1 ARG 107 -9.551 -17.804 6.737 789 HH12 ARG 107 2HH1 ARG 107 -10.887 -18.241 7.749 790 HH21 ARG 107 1HH2 ARG 107 -12.034 -20.777 5.632 791 HH22 ARG 107 2HH2 ARG 107 -12.299 -19.933 7.120 792 H SER 108 H SER 108 -6.914 -22.761 4.019 793 HA SER 108 HA SER 108 -4.546 -23.844 2.650 794 HB2 SER 108 1HB SER 108 -6.189 -24.792 4.964 795 HB3 SER 108 2HB SER 108 -5.357 -25.984 3.965 796 HG SER 108 HG SER 108 -4.072 -23.737 5.119 797 H ILE 109 H ILE 109 -4.812 -24.861 0.781 798 HA ILE 109 HA ILE 109 -7.343 -25.137 -0.445 799 HB ILE 109 HB ILE 109 -4.564 -25.925 -1.151 800 HG12 ILE 109 1HG1 ILE 109 -6.518 -24.754 -3.064 801 HG13 ILE 109 2HG1 ILE 109 -6.036 -23.754 -1.698 802 HG21 ILE 109 1HG2 ILE 109 -7.025 -27.114 -2.409 803 HG22 ILE 109 2HG2 ILE 109 -5.459 -27.055 -3.216 804 HG23 ILE 109 3HG2 ILE 109 -5.642 -27.960 -1.714 805 HD11 ILE 109 3HD1 ILE 109 -4.155 -25.021 -3.675 806 HD12 ILE 109 1HD1 ILE 109 -4.679 -23.337 -3.688 807 HD13 ILE 109 2HD1 ILE 109 -3.712 -23.950 -2.345 808 H THR 110 H THR 110 -8.842 -26.590 0.025 809 HA THR 110 HA THR 110 -7.993 -29.246 0.974 810 HB THR 110 HB THR 110 -10.319 -29.423 1.913 811 HG1 THR 110 1HG THR 110 -11.650 -27.910 1.282 812 HG21 THR 110 3HG2 THR 110 -9.569 -27.172 3.448 813 HG22 THR 110 1HG2 THR 110 -8.080 -27.930 2.884 814 HG23 THR 110 2HG2 THR 110 -9.260 -28.873 3.794 815 H SER 111 H SER 111 -7.979 -28.737 -1.765 816 HA SER 111 HA SER 111 -10.136 -29.149 -3.325 817 HB2 SER 111 1HB SER 111 -7.854 -29.008 -4.215 818 HB3 SER 111 2HB SER 111 -7.502 -30.621 -3.595 819 HG SER 111 HG SER 111 -8.255 -31.305 -5.424 820 H GLY 112 H GLY 112 -11.778 -30.526 -3.333 821 HA2 GLY 112 1HA GLY 112 -12.878 -32.570 -3.334 822 HA3 GLY 112 2HA GLY 112 -11.355 -33.357 -2.946 823 HA PRO 113 HA PRO 113 -14.079 -33.539 0.801 824 HB2 PRO 113 1HB PRO 113 -13.597 -36.162 1.312 825 HB3 PRO 113 2HB PRO 113 -14.871 -35.615 0.215 826 HG2 PRO 113 1HG PRO 113 -12.126 -36.626 -0.423 827 HG3 PRO 113 2HG PRO 113 -13.668 -36.997 -1.217 828 HD2 PRO 113 1HD PRO 113 -11.896 -35.219 -2.234 829 HD3 PRO 113 2HD PRO 113 -13.650 -35.045 -2.443 830 H SER 114 H SER 114 -13.253 -32.959 2.706 831 HA SER 114 HA SER 114 -10.410 -33.424 3.211 832 HB2 SER 114 1HB SER 114 -11.609 -31.124 3.408 833 HB3 SER 114 2HB SER 114 -12.197 -31.744 4.951 834 HG SER 114 HG SER 114 -10.117 -31.902 5.677 835 H SER 115 H SER 115 -13.540 -33.752 4.867 836 HA SER 115 HA SER 115 -12.279 -35.553 6.810 837 HB2 SER 115 1HB SER 115 -13.717 -33.548 7.528 838 HB3 SER 115 2HB SER 115 -15.097 -34.493 6.969 839 HG SER 115 HG SER 115 -13.282 -35.738 8.681 840 H GLY 116 H GLY 116 -13.192 -37.593 7.287 841 HA2 GLY 116 1HA GLY 116 -15.440 -38.704 6.040 842 HA3 GLY 116 2HA GLY 116 -14.041 -39.065 5.039 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.628 13.318 -8.641 2 HA2 GLY 1 1HA GLY 1 -9.411 13.939 -9.482 3 HA3 GLY 1 2HA GLY 1 -10.629 14.357 -10.678 4 H SER 2 H SER 2 -8.415 15.706 -10.971 5 HA SER 2 HA SER 2 -8.980 18.347 -9.793 6 HB2 SER 2 1HB SER 2 -6.960 17.679 -8.758 7 HB3 SER 2 2HB SER 2 -6.325 16.994 -10.253 8 HG SER 2 HG SER 2 -5.538 18.877 -10.712 9 H SER 3 H SER 3 -9.978 19.371 -11.430 10 HA SER 3 HA SER 3 -9.814 19.007 -14.116 11 HB2 SER 3 1HB SER 3 -10.598 21.280 -14.404 12 HB3 SER 3 2HB SER 3 -11.344 20.606 -12.955 13 HG SER 3 HG SER 3 -9.004 22.208 -12.929 14 H GLY 4 H GLY 4 -7.653 21.025 -12.155 15 HA2 GLY 4 1HA GLY 4 -5.286 20.583 -13.321 16 HA3 GLY 4 2HA GLY 4 -6.030 21.679 -14.476 17 H SER 5 H SER 5 -7.073 23.670 -13.317 18 HA SER 5 HA SER 5 -4.944 25.106 -12.128 19 HB2 SER 5 1HB SER 5 -7.885 25.805 -12.306 20 HB3 SER 5 2HB SER 5 -6.596 26.928 -11.873 21 HG SER 5 HG SER 5 -7.451 26.336 -14.283 22 H SER 6 H SER 6 -7.952 23.757 -10.822 23 HA SER 6 HA SER 6 -7.200 24.542 -8.123 24 HB2 SER 6 1HB SER 6 -9.405 23.565 -7.497 25 HB3 SER 6 2HB SER 6 -9.535 24.812 -8.737 26 HG SER 6 HG SER 6 -9.206 22.231 -9.671 27 H GLY 7 H GLY 7 -5.793 23.303 -7.073 28 HA2 GLY 7 1HA GLY 7 -5.369 20.545 -7.752 29 HA3 GLY 7 2HA GLY 7 -4.580 21.434 -6.458 30 HA PRO 8 HA PRO 8 -7.996 18.462 -4.932 31 HB2 PRO 8 1HB PRO 8 -6.435 16.388 -4.136 32 HB3 PRO 8 2HB PRO 8 -7.142 16.492 -5.753 33 HG2 PRO 8 1HG PRO 8 -4.369 17.166 -4.851 34 HG3 PRO 8 2HG PRO 8 -4.892 16.298 -6.306 35 HD2 PRO 8 1HD PRO 8 -4.175 18.909 -6.346 36 HD3 PRO 8 2HD PRO 8 -5.411 18.242 -7.431 37 H GLU 9 H GLU 9 -5.372 20.187 -3.897 38 HA GLU 9 HA GLU 9 -5.548 19.365 -1.102 39 HB2 GLU 9 1HB GLU 9 -3.725 21.099 -0.807 40 HB3 GLU 9 2HB GLU 9 -3.315 19.715 -1.810 41 HG2 GLU 9 1HG GLU 9 -4.398 22.099 -3.184 42 HG3 GLU 9 2HG GLU 9 -2.772 22.219 -2.513 43 H ASN 10 H ASN 10 -7.282 20.162 -0.086 44 HA ASN 10 HA ASN 10 -7.908 23.018 -0.452 45 HB2 ASN 10 1HB ASN 10 -9.877 21.038 0.651 46 HB3 ASN 10 2HB ASN 10 -10.182 22.577 -0.150 47 HD21 ASN 10 1HD2 ASN 10 -9.518 19.213 -0.561 48 HD22 ASN 10 2HD2 ASN 10 -9.803 19.148 -2.264 49 H ASP 11 H ASP 11 -6.688 23.907 1.159 50 HA ASP 11 HA ASP 11 -6.018 24.485 3.258 51 HB2 ASP 11 1HB ASP 11 -8.758 23.448 4.017 52 HB3 ASP 11 2HB ASP 11 -7.758 24.534 4.977 53 H LEU 12 H LEU 12 -5.005 22.068 2.485 54 HA LEU 12 HA LEU 12 -5.178 20.429 4.927 55 HB2 LEU 12 1HB LEU 12 -4.212 19.506 2.232 56 HB3 LEU 12 2HB LEU 12 -4.588 18.516 3.640 57 HG LEU 12 HG LEU 12 -6.625 20.073 2.051 58 HD11 LEU 12 1HD1 LEU 12 -6.297 18.469 0.522 59 HD12 LEU 12 2HD1 LEU 12 -7.183 17.445 1.651 60 HD13 LEU 12 3HD1 LEU 12 -5.420 17.432 1.647 61 HD21 LEU 12 3HD2 LEU 12 -6.694 18.476 4.523 62 HD22 LEU 12 1HD2 LEU 12 -7.969 18.130 3.355 63 HD23 LEU 12 2HD2 LEU 12 -7.760 19.769 3.972 64 H ASP 13 H ASP 13 -3.059 19.064 5.161 65 HA ASP 13 HA ASP 13 -0.807 20.951 4.949 66 HB2 ASP 13 1HB ASP 13 -1.592 20.320 7.261 67 HB3 ASP 13 2HB ASP 13 -1.079 18.671 6.913 68 H GLU 14 H GLU 14 0.165 20.377 3.068 69 HA GLU 14 HA GLU 14 0.607 17.587 2.421 70 HB2 GLU 14 1HB GLU 14 0.086 19.567 0.792 71 HB3 GLU 14 2HB GLU 14 1.815 19.865 0.896 72 HG2 GLU 14 1HG GLU 14 2.348 17.817 -0.089 73 HG3 GLU 14 2HG GLU 14 0.737 17.161 0.192 74 H SER 15 H SER 15 2.435 20.347 3.576 75 HA SER 15 HA SER 15 5.032 19.528 3.182 76 HB2 SER 15 1HB SER 15 4.144 21.691 4.269 77 HB3 SER 15 2HB SER 15 4.164 20.783 5.781 78 HG SER 15 HG SER 15 6.264 20.924 5.829 79 H GLN 16 H GLN 16 2.705 18.366 5.518 80 HA GLN 16 HA GLN 16 4.735 16.612 6.709 81 HB2 GLN 16 1HB GLN 16 3.348 16.390 8.590 82 HB3 GLN 16 2HB GLN 16 3.201 18.083 8.137 83 HG2 GLN 16 1HG GLN 16 1.059 17.759 7.221 84 HG3 GLN 16 2HG GLN 16 1.233 16.005 7.237 85 HE21 GLN 16 1HE2 GLN 16 0.179 18.740 8.927 86 HE22 GLN 16 2HE2 GLN 16 -0.241 17.963 10.412 87 H VAL 17 H VAL 17 4.545 14.400 6.689 88 HA VAL 17 HA VAL 17 3.127 13.246 4.515 89 HB VAL 17 HB VAL 17 3.926 11.075 5.416 90 HG11 VAL 17 1HG1 VAL 17 6.466 12.009 5.509 91 HG12 VAL 17 2HG1 VAL 17 5.551 11.765 4.020 92 HG13 VAL 17 3HG1 VAL 17 5.639 13.369 4.749 93 HG21 VAL 17 3HG2 VAL 17 4.003 11.148 7.698 94 HG22 VAL 17 1HG2 VAL 17 5.697 11.485 7.339 95 HG23 VAL 17 2HG2 VAL 17 4.599 12.807 7.736 96 HA PRO 18 HA PRO 18 -0.744 12.232 6.331 97 HB2 PRO 18 1HB PRO 18 -1.365 9.992 4.929 98 HB3 PRO 18 2HB PRO 18 -1.417 11.612 4.224 99 HG2 PRO 18 1HG PRO 18 0.716 9.522 4.015 100 HG3 PRO 18 2HG PRO 18 0.054 10.575 2.751 101 HD2 PRO 18 1HD PRO 18 2.412 11.082 3.982 102 HD3 PRO 18 2HD PRO 18 1.342 12.373 3.399 103 H ASP 19 H ASP 19 -1.253 11.296 8.203 104 HA ASP 19 HA ASP 19 0.416 9.400 9.464 105 HB2 ASP 19 1HB ASP 19 -2.220 10.655 10.079 106 HB3 ASP 19 2HB ASP 19 -1.756 9.216 10.984 107 H GLN 20 H GLN 20 -0.484 7.314 10.406 108 HA GLN 20 HA GLN 20 -1.157 5.579 8.271 109 HB2 GLN 20 1HB GLN 20 -1.026 3.820 9.842 110 HB3 GLN 20 2HB GLN 20 0.161 5.006 10.369 111 HG2 GLN 20 1HG GLN 20 -1.785 5.874 11.866 112 HG3 GLN 20 2HG GLN 20 -2.448 4.263 11.599 113 HE21 GLN 20 1HE2 GLN 20 0.453 3.343 11.353 114 HE22 GLN 20 2HE2 GLN 20 0.957 3.149 12.994 115 HA PRO 21 HA PRO 21 -5.542 5.527 8.271 116 HB2 PRO 21 1HB PRO 21 -6.074 2.906 7.802 117 HB3 PRO 21 2HB PRO 21 -5.419 3.990 6.568 118 HG2 PRO 21 1HG PRO 21 -3.993 2.000 8.290 119 HG3 PRO 21 2HG PRO 21 -3.786 2.335 6.561 120 HD2 PRO 21 1HD PRO 21 -2.101 3.307 8.445 121 HD3 PRO 21 2HD PRO 21 -2.471 4.188 6.949 122 H SER 22 H SER 22 -6.892 5.712 9.935 123 HA SER 22 HA SER 22 -6.619 5.026 12.492 124 HB2 SER 22 1HB SER 22 -8.908 5.345 12.804 125 HB3 SER 22 2HB SER 22 -8.627 6.161 11.267 126 HG SER 22 HG SER 22 -9.999 4.829 10.426 127 H SER 23 H SER 23 -7.532 2.810 9.942 128 HA SER 23 HA SER 23 -6.796 0.550 11.542 129 HB2 SER 23 1HB SER 23 -9.669 0.607 10.618 130 HB3 SER 23 2HB SER 23 -8.893 -0.559 11.690 131 HG SER 23 HG SER 23 -10.266 1.304 12.568 132 H LEU 24 H LEU 24 -6.446 -1.302 10.318 133 HA LEU 24 HA LEU 24 -6.971 -1.085 7.433 134 HB2 LEU 24 1HB LEU 24 -4.728 -0.548 7.461 135 HB3 LEU 24 2HB LEU 24 -4.390 -1.590 8.841 136 HG LEU 24 HG LEU 24 -4.650 -3.559 7.348 137 HD11 LEU 24 1HD1 LEU 24 -5.349 -3.409 5.240 138 HD12 LEU 24 2HD1 LEU 24 -4.276 -2.054 4.893 139 HD13 LEU 24 3HD1 LEU 24 -5.850 -1.765 5.634 140 HD21 LEU 24 3HD2 LEU 24 -2.564 -2.600 5.844 141 HD22 LEU 24 1HD2 LEU 24 -2.434 -3.303 7.456 142 HD23 LEU 24 2HD2 LEU 24 -2.537 -1.553 7.263 143 H HIS 25 H HIS 25 -8.519 -2.612 7.241 144 HA HIS 25 HA HIS 25 -8.320 -5.140 8.629 145 HB2 HIS 25 1HB HIS 25 -10.500 -3.975 8.242 146 HB3 HIS 25 2HB HIS 25 -10.316 -4.294 6.520 147 HD1 HIS 25 1HD HIS 25 -12.462 -5.746 6.518 148 HD2 HIS 25 2HD HIS 25 -9.443 -7.164 8.995 149 HE1 HIS 25 1HE HIS 25 -13.135 -8.093 7.122 150 HE2 HIS 25 2HE HIS 25 -11.336 -8.900 8.690 151 H VAL 26 H VAL 26 -7.785 -7.093 7.778 152 HA VAL 26 HA VAL 26 -7.223 -7.278 4.909 153 HB VAL 26 HB VAL 26 -5.071 -8.389 5.318 154 HG11 VAL 26 1HG1 VAL 26 -4.168 -6.106 6.615 155 HG12 VAL 26 2HG1 VAL 26 -4.336 -6.335 4.873 156 HG13 VAL 26 3HG1 VAL 26 -5.643 -5.594 5.798 157 HG21 VAL 26 3HG2 VAL 26 -5.334 -9.285 7.499 158 HG22 VAL 26 1HG2 VAL 26 -4.040 -8.092 7.602 159 HG23 VAL 26 2HG2 VAL 26 -5.654 -7.695 8.189 160 H ARG 27 H ARG 27 -8.088 -9.062 4.091 161 HA ARG 27 HA ARG 27 -8.593 -11.332 5.902 162 HB2 ARG 27 1HB ARG 27 -10.232 -10.156 3.682 163 HB3 ARG 27 2HB ARG 27 -10.414 -11.853 4.106 164 HG2 ARG 27 1HG ARG 27 -10.907 -11.162 6.438 165 HG3 ARG 27 2HG ARG 27 -10.865 -9.481 5.901 166 HD2 ARG 27 1HD ARG 27 -12.605 -11.368 4.410 167 HD3 ARG 27 2HD ARG 27 -13.122 -10.879 6.023 168 HE ARG 27 HE ARG 27 -12.402 -8.588 4.581 169 HH11 ARG 27 1HH1 ARG 27 -14.850 -11.064 4.600 170 HH12 ARG 27 2HH1 ARG 27 -16.070 -10.045 3.911 171 HH21 ARG 27 1HH2 ARG 27 -14.001 -7.237 3.674 172 HH22 ARG 27 2HH2 ARG 27 -15.586 -7.869 3.384 173 HA PRO 28 HA PRO 28 -5.639 -13.179 3.037 174 HB2 PRO 28 1HB PRO 28 -5.168 -15.358 4.587 175 HB3 PRO 28 2HB PRO 28 -4.404 -13.790 4.876 176 HG2 PRO 28 1HG PRO 28 -6.778 -15.018 6.225 177 HG3 PRO 28 2HG PRO 28 -5.417 -14.133 6.940 178 HD2 PRO 28 1HD PRO 28 -7.829 -12.985 6.496 179 HD3 PRO 28 2HD PRO 28 -6.306 -12.077 6.400 180 H GLN 29 H GLN 29 -7.115 -13.688 1.392 181 HA GLN 29 HA GLN 29 -9.039 -15.786 1.675 182 HB2 GLN 29 1HB GLN 29 -8.022 -14.173 -0.647 183 HB3 GLN 29 2HB GLN 29 -9.104 -15.537 -0.898 184 HG2 GLN 29 1HG GLN 29 -10.064 -13.138 -0.683 185 HG3 GLN 29 2HG GLN 29 -10.884 -14.489 0.098 186 HE21 GLN 29 1HE2 GLN 29 -10.205 -11.420 0.557 187 HE22 GLN 29 2HE2 GLN 29 -9.964 -11.374 2.267 188 H THR 30 H THR 30 -8.911 -17.372 -0.460 189 HA THR 30 HA THR 30 -7.081 -19.353 0.238 190 HB THR 30 HB THR 30 -8.034 -19.252 -2.584 191 HG1 THR 30 1HG THR 30 -9.843 -19.954 -0.529 192 HG21 THR 30 3HG2 THR 30 -7.696 -21.314 -0.433 193 HG22 THR 30 1HG2 THR 30 -7.000 -21.272 -2.052 194 HG23 THR 30 2HG2 THR 30 -8.713 -21.637 -1.837 195 H ASN 31 H ASN 31 -7.042 -17.654 -2.896 196 HA ASN 31 HA ASN 31 -4.101 -17.815 -2.831 197 HB2 ASN 31 1HB ASN 31 -5.944 -17.736 -5.231 198 HB3 ASN 31 2HB ASN 31 -4.185 -17.804 -5.295 199 HD21 ASN 31 1HD2 ASN 31 -3.336 -19.660 -3.776 200 HD22 ASN 31 2HD2 ASN 31 -4.084 -21.192 -4.056 201 H CYS 32 H CYS 32 -6.111 -15.689 -1.910 202 HA CYS 32 HA CYS 32 -4.617 -13.444 -3.001 203 HB2 CYS 32 1HB CYS 32 -7.616 -13.248 -2.957 204 HB3 CYS 32 2HB CYS 32 -6.457 -12.222 -3.793 205 HG CYS 32 HG CYS 32 -7.032 -13.348 -6.030 206 H ILE 33 H ILE 33 -5.488 -11.340 -1.878 207 HA ILE 33 HA ILE 33 -6.474 -11.794 0.811 208 HB ILE 33 HB ILE 33 -3.777 -10.496 0.429 209 HG12 ILE 33 1HG1 ILE 33 -4.504 -13.260 1.414 210 HG13 ILE 33 2HG1 ILE 33 -3.529 -12.857 0.005 211 HG21 ILE 33 1HG2 ILE 33 -5.603 -10.162 2.443 212 HG22 ILE 33 2HG2 ILE 33 -4.556 -11.429 3.081 213 HG23 ILE 33 3HG2 ILE 33 -3.867 -9.886 2.579 214 HD11 ILE 33 3HD1 ILE 33 -2.451 -13.604 2.293 215 HD12 ILE 33 1HD1 ILE 33 -1.678 -12.417 1.242 216 HD13 ILE 33 2HD1 ILE 33 -2.605 -11.883 2.645 217 H ILE 34 H ILE 34 -8.111 -10.378 0.717 218 HA ILE 34 HA ILE 34 -7.764 -7.783 -0.540 219 HB ILE 34 HB ILE 34 -10.135 -9.182 0.671 220 HG12 ILE 34 1HG1 ILE 34 -10.982 -8.627 -1.720 221 HG13 ILE 34 2HG1 ILE 34 -9.285 -8.334 -2.086 222 HG21 ILE 34 1HG2 ILE 34 -9.698 -6.331 0.394 223 HG22 ILE 34 2HG2 ILE 34 -11.101 -6.880 -0.521 224 HG23 ILE 34 3HG2 ILE 34 -10.997 -7.200 1.210 225 HD11 ILE 34 3HD1 ILE 34 -10.580 -10.898 -1.223 226 HD12 ILE 34 1HD1 ILE 34 -9.734 -10.549 -2.731 227 HD13 ILE 34 2HD1 ILE 34 -8.833 -10.658 -1.218 228 H MET 35 H MET 35 -7.474 -5.896 0.490 229 HA MET 35 HA MET 35 -7.750 -5.857 3.420 230 HB2 MET 35 1HB MET 35 -5.772 -4.144 3.231 231 HB3 MET 35 2HB MET 35 -5.449 -5.872 3.271 232 HG2 MET 35 1HG MET 35 -5.188 -5.922 0.876 233 HG3 MET 35 2HG MET 35 -5.637 -4.222 0.763 234 HE1 MET 35 3HE MET 35 -3.525 -2.135 1.312 235 HE2 MET 35 1HE MET 35 -4.559 -2.685 2.632 236 HE3 MET 35 2HE MET 35 -2.813 -2.582 2.864 237 H SER 36 H SER 36 -8.701 -4.082 4.288 238 HA SER 36 HA SER 36 -9.314 -1.838 2.486 239 HB2 SER 36 1HB SER 36 -11.580 -1.714 3.382 240 HB3 SER 36 2HB SER 36 -11.295 -3.314 2.697 241 HG SER 36 HG SER 36 -12.255 -2.955 4.985 242 H TRP 37 H TRP 37 -8.346 -0.102 3.286 243 HA TRP 37 HA TRP 37 -8.170 0.201 6.208 244 HB2 TRP 37 1HB TRP 37 -6.308 1.778 5.743 245 HB3 TRP 37 2HB TRP 37 -5.993 0.153 5.141 246 HD1 TRP 37 HD TRP 37 -6.200 3.723 4.031 247 HE1 TRP 37 1HE TRP 37 -5.779 3.875 1.496 248 HE3 TRP 37 3HE TRP 37 -6.464 -1.247 2.866 249 HZ2 TRP 37 2HZ TRP 37 -5.586 2.120 -0.706 250 HZ3 TRP 37 3HZ TRP 37 -6.151 -1.928 0.522 251 HH2 TRP 37 HH TRP 37 -5.721 -0.277 -1.225 252 H THR 38 H THR 38 -7.808 2.772 6.623 253 HA THR 38 HA THR 38 -9.962 4.208 5.231 254 HB THR 38 HB THR 38 -10.252 5.225 7.715 255 HG1 THR 38 1HG THR 38 -10.398 3.059 8.950 256 HG21 THR 38 3HG2 THR 38 -12.336 4.545 7.317 257 HG22 THR 38 1HG2 THR 38 -11.875 2.861 7.562 258 HG23 THR 38 2HG2 THR 38 -11.728 3.592 5.963 259 HA PRO 39 HA PRO 39 -7.312 7.704 5.150 260 HB2 PRO 39 1HB PRO 39 -8.995 9.766 5.687 261 HB3 PRO 39 2HB PRO 39 -9.020 8.878 4.159 262 HG2 PRO 39 1HG PRO 39 -10.791 8.579 6.554 263 HG3 PRO 39 2HG PRO 39 -11.226 8.586 4.835 264 HD2 PRO 39 1HD PRO 39 -10.996 6.301 6.270 265 HD3 PRO 39 2HD PRO 39 -10.607 6.385 4.540 266 HA PRO 40 HA PRO 40 -5.866 8.953 9.111 267 HB2 PRO 40 1HB PRO 40 -5.103 11.527 8.705 268 HB3 PRO 40 2HB PRO 40 -4.217 10.147 8.046 269 HG2 PRO 40 1HG PRO 40 -6.201 11.941 6.702 270 HG3 PRO 40 2HG PRO 40 -4.659 11.319 6.086 271 HD2 PRO 40 1HD PRO 40 -7.045 10.236 5.401 272 HD3 PRO 40 2HD PRO 40 -5.562 9.270 5.536 273 H LEU 41 H LEU 41 -6.760 9.594 10.979 274 HA LEU 41 HA LEU 41 -9.317 10.541 11.241 275 HB2 LEU 41 1HB LEU 41 -6.946 10.714 13.068 276 HB3 LEU 41 2HB LEU 41 -8.517 11.356 13.544 277 HG LEU 41 HG LEU 41 -8.243 8.506 12.662 278 HD11 LEU 41 1HD1 LEU 41 -7.831 9.493 15.479 279 HD12 LEU 41 2HD1 LEU 41 -6.544 8.926 14.414 280 HD13 LEU 41 3HD1 LEU 41 -7.818 7.818 14.925 281 HD21 LEU 41 3HD2 LEU 41 -10.174 8.232 14.155 282 HD22 LEU 41 1HD2 LEU 41 -10.481 9.417 12.886 283 HD23 LEU 41 2HD2 LEU 41 -10.120 9.957 14.526 284 H ASN 42 H ASN 42 -6.491 12.321 10.442 285 HA ASN 42 HA ASN 42 -7.848 14.873 10.960 286 HB2 ASN 42 1HB ASN 42 -5.354 14.229 11.649 287 HB3 ASN 42 2HB ASN 42 -5.026 14.780 10.009 288 HD21 ASN 42 1HD2 ASN 42 -4.340 16.783 9.999 289 HD22 ASN 42 2HD2 ASN 42 -4.915 18.067 11.002 290 HA PRO 43 HA PRO 43 -8.648 14.580 6.507 291 HB2 PRO 43 1HB PRO 43 -10.639 16.426 6.534 292 HB3 PRO 43 2HB PRO 43 -10.890 14.736 6.986 293 HG2 PRO 43 1HG PRO 43 -10.483 17.126 8.742 294 HG3 PRO 43 2HG PRO 43 -11.632 15.788 8.922 295 HD2 PRO 43 1HD PRO 43 -9.318 15.918 10.323 296 HD3 PRO 43 2HD PRO 43 -10.045 14.378 9.820 297 H ASN 44 H ASN 44 -7.234 16.889 8.433 298 HA ASN 44 HA ASN 44 -7.159 18.994 6.427 299 HB2 ASN 44 1HB ASN 44 -5.732 18.878 9.091 300 HB3 ASN 44 2HB ASN 44 -5.983 20.302 8.085 301 HD21 ASN 44 1HD2 ASN 44 -7.591 17.886 10.057 302 HD22 ASN 44 2HD2 ASN 44 -8.982 18.842 10.425 303 H ILE 45 H ILE 45 -5.728 16.169 6.524 304 HA ILE 45 HA ILE 45 -3.062 17.167 5.770 305 HB ILE 45 HB ILE 45 -3.801 14.332 6.496 306 HG12 ILE 45 1HG1 ILE 45 -4.103 15.732 8.451 307 HG13 ILE 45 2HG1 ILE 45 -2.620 14.802 8.636 308 HG21 ILE 45 1HG2 ILE 45 -1.507 15.495 5.282 309 HG22 ILE 45 2HG2 ILE 45 -1.062 14.921 6.888 310 HG23 ILE 45 3HG2 ILE 45 -1.788 13.812 5.726 311 HD11 ILE 45 3HD1 ILE 45 -1.288 16.714 8.100 312 HD12 ILE 45 1HD1 ILE 45 -2.723 17.656 7.696 313 HD13 ILE 45 2HD1 ILE 45 -2.434 17.158 9.364 314 H VAL 46 H VAL 46 -2.206 16.688 3.796 315 HA VAL 46 HA VAL 46 -4.047 15.915 1.727 316 HB VAL 46 HB VAL 46 -1.092 16.526 1.571 317 HG11 VAL 46 1HG1 VAL 46 -3.072 16.485 -0.694 318 HG12 VAL 46 2HG1 VAL 46 -1.315 16.620 -0.784 319 HG13 VAL 46 3HG1 VAL 46 -2.059 15.103 -0.279 320 HG21 VAL 46 3HG2 VAL 46 -3.445 18.268 0.850 321 HG22 VAL 46 1HG2 VAL 46 -2.536 18.391 2.357 322 HG23 VAL 46 2HG2 VAL 46 -1.740 18.714 0.817 323 H VAL 47 H VAL 47 -4.012 14.089 0.460 324 HA VAL 47 HA VAL 47 -2.088 11.982 1.151 325 HB VAL 47 HB VAL 47 -5.074 11.564 0.945 326 HG11 VAL 47 1HG1 VAL 47 -2.759 9.676 1.139 327 HG12 VAL 47 2HG1 VAL 47 -4.341 9.230 1.781 328 HG13 VAL 47 3HG1 VAL 47 -4.160 9.618 0.070 329 HG21 VAL 47 3HG2 VAL 47 -4.756 10.780 3.336 330 HG22 VAL 47 1HG2 VAL 47 -3.173 11.555 3.275 331 HG23 VAL 47 2HG2 VAL 47 -4.636 12.517 3.060 332 H ARG 48 H ARG 48 -1.110 11.310 -0.631 333 HA ARG 48 HA ARG 48 -2.402 11.726 -3.221 334 HB2 ARG 48 1HB ARG 48 0.447 10.985 -2.529 335 HB3 ARG 48 2HB ARG 48 -0.158 11.257 -4.158 336 HG2 ARG 48 1HG ARG 48 0.026 13.279 -1.937 337 HG3 ARG 48 2HG ARG 48 1.003 13.215 -3.405 338 HD2 ARG 48 1HD ARG 48 -1.343 13.328 -4.582 339 HD3 ARG 48 2HD ARG 48 -1.842 14.029 -3.043 340 HE ARG 48 HE ARG 48 0.303 15.505 -3.622 341 HH11 ARG 48 1HH1 ARG 48 -2.409 14.542 -5.582 342 HH12 ARG 48 2HH1 ARG 48 -2.361 15.961 -6.575 343 HH21 ARG 48 1HH2 ARG 48 0.375 17.377 -4.923 344 HH22 ARG 48 2HH2 ARG 48 -0.777 17.573 -6.200 345 H GLY 49 H GLY 49 -1.766 9.256 -0.974 346 HA2 GLY 49 1HA GLY 49 -3.202 7.267 -2.142 347 HA3 GLY 49 2HA GLY 49 -1.612 7.089 -2.870 348 H TYR 50 H TYR 50 -1.601 4.976 -1.859 349 HA TYR 50 HA TYR 50 -0.389 5.099 0.775 350 HB2 TYR 50 1HB TYR 50 -2.498 3.019 0.503 351 HB3 TYR 50 2HB TYR 50 -1.921 3.855 1.941 352 HD1 TYR 50 2HD TYR 50 -4.147 4.107 -0.987 353 HD2 TYR 50 1HD TYR 50 -2.953 5.876 2.694 354 HE1 TYR 50 2HE TYR 50 -6.109 5.588 -1.069 355 HE2 TYR 50 1HE TYR 50 -4.913 7.361 2.623 356 HH TYR 50 HH TYR 50 -6.460 8.288 0.952 357 H ILE 51 H ILE 51 1.277 3.736 0.894 358 HA ILE 51 HA ILE 51 1.770 1.927 -1.313 359 HB ILE 51 HB ILE 51 3.465 2.551 1.108 360 HG12 ILE 51 1HG1 ILE 51 3.885 3.458 -1.739 361 HG13 ILE 51 2HG1 ILE 51 2.990 4.417 -0.565 362 HG21 ILE 51 1HG2 ILE 51 5.096 1.181 0.318 363 HG22 ILE 51 2HG2 ILE 51 3.695 0.316 -0.313 364 HG23 ILE 51 3HG2 ILE 51 4.614 1.393 -1.365 365 HD11 ILE 51 3HD1 ILE 51 4.849 5.096 0.475 366 HD12 ILE 51 1HD1 ILE 51 5.624 3.518 0.345 367 HD13 ILE 51 2HD1 ILE 51 5.644 4.627 -1.027 368 H ILE 52 H ILE 52 1.445 -0.201 -1.299 369 HA ILE 52 HA ILE 52 0.733 -1.475 1.256 370 HB ILE 52 HB ILE 52 0.070 -2.386 -1.546 371 HG12 ILE 52 1HG1 ILE 52 -1.878 -1.354 0.503 372 HG13 ILE 52 2HG1 ILE 52 -1.057 -0.261 -0.605 373 HG21 ILE 52 1HG2 ILE 52 -1.132 -4.151 -0.620 374 HG22 ILE 52 2HG2 ILE 52 0.338 -4.102 0.351 375 HG23 ILE 52 3HG2 ILE 52 -1.159 -3.418 0.983 376 HD11 ILE 52 3HD1 ILE 52 -3.278 -2.091 -1.069 377 HD12 ILE 52 1HD1 ILE 52 -2.806 -0.629 -1.935 378 HD13 ILE 52 2HD1 ILE 52 -2.018 -2.164 -2.300 379 H GLY 53 H GLY 53 2.559 -2.333 2.080 380 HA2 GLY 53 1HA GLY 53 4.356 -3.809 0.283 381 HA3 GLY 53 2HA GLY 53 4.759 -3.245 1.898 382 H TYR 54 H TYR 54 3.356 -5.779 0.013 383 HA TYR 54 HA TYR 54 2.898 -7.349 2.463 384 HB2 TYR 54 1HB TYR 54 1.418 -8.771 1.046 385 HB3 TYR 54 2HB TYR 54 0.857 -7.110 1.200 386 HD1 TYR 54 1HD TYR 54 1.535 -5.490 -0.720 387 HD2 TYR 54 2HD TYR 54 1.598 -9.730 -1.062 388 HE1 TYR 54 1HE TYR 54 1.446 -5.288 -3.170 389 HE2 TYR 54 2HE TYR 54 1.510 -9.540 -3.513 390 HH TYR 54 HH TYR 54 1.063 -8.101 -5.233 391 H GLY 55 H GLY 55 3.252 -9.744 2.158 392 HA2 GLY 55 1HA GLY 55 4.739 -10.946 0.197 393 HA3 GLY 55 2HA GLY 55 5.930 -10.151 1.216 394 H VAL 56 H VAL 56 5.460 -13.013 0.717 395 HA VAL 56 HA VAL 56 4.206 -14.276 2.876 396 HB VAL 56 HB VAL 56 6.610 -15.295 1.356 397 HG11 VAL 56 1HG1 VAL 56 5.610 -16.391 3.560 398 HG12 VAL 56 2HG1 VAL 56 4.473 -17.071 2.395 399 HG13 VAL 56 3HG1 VAL 56 6.203 -17.363 2.214 400 HG21 VAL 56 3HG2 VAL 56 5.337 -15.564 -0.448 401 HG22 VAL 56 1HG2 VAL 56 4.085 -16.370 0.497 402 HG23 VAL 56 2HG2 VAL 56 4.086 -14.612 0.351 403 H GLY 57 H GLY 57 4.647 -13.902 4.952 404 HA2 GLY 57 1HA GLY 57 5.868 -14.032 6.917 405 HA3 GLY 57 2HA GLY 57 7.290 -14.439 5.968 406 H SER 58 H SER 58 7.289 -12.175 4.266 407 HA SER 58 HA SER 58 7.760 -9.985 6.179 408 HB2 SER 58 1HB SER 58 9.640 -9.442 4.334 409 HB3 SER 58 2HB SER 58 9.958 -10.443 5.751 410 HG SER 58 HG SER 58 10.655 -11.428 3.794 411 HA PRO 59 HA PRO 59 5.088 -7.790 3.405 412 HB2 PRO 59 1HB PRO 59 5.392 -5.344 4.544 413 HB3 PRO 59 2HB PRO 59 4.398 -6.619 5.258 414 HG2 PRO 59 1HG PRO 59 7.194 -5.792 5.938 415 HG3 PRO 59 2HG PRO 59 5.853 -6.202 7.024 416 HD2 PRO 59 1HD PRO 59 7.840 -7.946 6.439 417 HD3 PRO 59 2HD PRO 59 6.176 -8.470 6.770 418 H TYR 60 H TYR 60 8.286 -7.924 3.234 419 HA TYR 60 HA TYR 60 8.587 -5.573 1.494 420 HB2 TYR 60 1HB TYR 60 10.874 -7.291 2.408 421 HB3 TYR 60 2HB TYR 60 10.888 -5.601 1.916 422 HD1 TYR 60 1HD TYR 60 9.258 -4.091 3.486 423 HD2 TYR 60 2HD TYR 60 11.218 -7.685 4.646 424 HE1 TYR 60 1HE TYR 60 9.117 -3.400 5.842 425 HE2 TYR 60 2HE TYR 60 11.082 -7.004 7.006 426 HH TYR 60 HH TYR 60 10.590 -5.333 8.415 427 H ALA 61 H ALA 61 7.592 -8.565 1.134 428 HA ALA 61 HA ALA 61 9.318 -9.498 -0.979 429 HB1 ALA 61 3HB ALA 61 6.608 -10.648 -0.595 430 HB2 ALA 61 1HB ALA 61 8.149 -11.451 -0.899 431 HB3 ALA 61 2HB ALA 61 7.777 -10.835 0.712 432 H GLU 62 H GLU 62 6.432 -7.596 -0.704 433 HA GLU 62 HA GLU 62 6.506 -7.056 -3.552 434 HB2 GLU 62 1HB GLU 62 4.265 -8.503 -2.205 435 HB3 GLU 62 2HB GLU 62 3.889 -7.374 -3.499 436 HG2 GLU 62 1HG GLU 62 5.835 -9.647 -3.781 437 HG3 GLU 62 2HG GLU 62 4.127 -9.755 -4.204 438 H THR 63 H THR 63 5.895 -5.013 -4.028 439 HA THR 63 HA THR 63 4.615 -3.439 -1.891 440 HB THR 63 HB THR 63 6.062 -1.545 -3.195 441 HG1 THR 63 1HG THR 63 7.395 -4.009 -3.449 442 HG21 THR 63 3HG2 THR 63 6.144 -1.478 -0.891 443 HG22 THR 63 1HG2 THR 63 7.783 -2.007 -1.270 444 HG23 THR 63 2HG2 THR 63 6.575 -3.182 -0.750 445 H VAL 64 H VAL 64 2.895 -2.269 -2.488 446 HA VAL 64 HA VAL 64 2.547 -1.469 -5.266 447 HB VAL 64 HB VAL 64 0.697 -3.359 -3.837 448 HG11 VAL 64 1HG1 VAL 64 0.042 -1.362 -5.970 449 HG12 VAL 64 2HG1 VAL 64 -0.833 -2.891 -5.864 450 HG13 VAL 64 3HG1 VAL 64 -0.855 -1.764 -4.506 451 HG21 VAL 64 3HG2 VAL 64 0.760 -4.278 -6.296 452 HG22 VAL 64 1HG2 VAL 64 2.254 -3.344 -6.378 453 HG23 VAL 64 2HG2 VAL 64 2.076 -4.620 -5.173 454 H ARG 65 H ARG 65 2.215 0.645 -5.075 455 HA ARG 65 HA ARG 65 0.633 1.649 -2.817 456 HB2 ARG 65 1HB ARG 65 1.886 3.535 -2.858 457 HB3 ARG 65 2HB ARG 65 3.031 2.506 -3.708 458 HG2 ARG 65 1HG ARG 65 1.924 3.308 -5.851 459 HG3 ARG 65 2HG ARG 65 1.149 4.540 -4.853 460 HD2 ARG 65 1HD ARG 65 3.353 5.320 -4.118 461 HD3 ARG 65 2HD ARG 65 4.119 4.093 -5.126 462 HE ARG 65 HE ARG 65 2.354 5.913 -6.520 463 HH11 ARG 65 1HH1 ARG 65 5.609 5.214 -5.502 464 HH12 ARG 65 2HH1 ARG 65 6.342 6.216 -6.712 465 HH21 ARG 65 1HH2 ARG 65 3.306 7.234 -8.117 466 HH22 ARG 65 2HH2 ARG 65 5.031 7.365 -8.198 467 H VAL 66 H VAL 66 -1.345 2.466 -3.099 468 HA VAL 66 HA VAL 66 -2.353 2.711 -5.846 469 HB VAL 66 HB VAL 66 -4.617 2.715 -4.738 470 HG11 VAL 66 1HG1 VAL 66 -2.725 0.405 -4.655 471 HG12 VAL 66 2HG1 VAL 66 -4.370 0.213 -4.044 472 HG13 VAL 66 3HG1 VAL 66 -4.100 0.693 -5.720 473 HG21 VAL 66 3HG2 VAL 66 -2.999 2.904 -2.401 474 HG22 VAL 66 1HG2 VAL 66 -4.757 2.930 -2.533 475 HG23 VAL 66 2HG2 VAL 66 -3.911 1.396 -2.335 476 H ASP 67 H ASP 67 -4.432 4.338 -5.681 477 HA ASP 67 HA ASP 67 -3.208 6.927 -5.311 478 HB2 ASP 67 1HB ASP 67 -6.053 6.348 -6.141 479 HB3 ASP 67 2HB ASP 67 -5.128 7.819 -6.428 480 H SER 68 H SER 68 -4.828 8.678 -4.403 481 HA SER 68 HA SER 68 -5.236 7.962 -1.635 482 HB2 SER 68 1HB SER 68 -5.611 10.312 -1.259 483 HB3 SER 68 2HB SER 68 -4.242 10.152 -2.360 484 HG SER 68 HG SER 68 -6.617 10.293 -3.680 485 H LYS 69 H LYS 69 -6.981 6.883 -3.834 486 HA LYS 69 HA LYS 69 -9.567 7.763 -2.727 487 HB2 LYS 69 1HB LYS 69 -9.487 6.498 -5.413 488 HB3 LYS 69 2HB LYS 69 -10.549 7.755 -4.794 489 HG2 LYS 69 1HG LYS 69 -8.297 9.151 -4.828 490 HG3 LYS 69 2HG LYS 69 -7.889 7.975 -6.080 491 HD2 LYS 69 1HD LYS 69 -8.880 9.823 -7.188 492 HD3 LYS 69 2HD LYS 69 -10.096 8.544 -7.165 493 HE2 LYS 69 1HE LYS 69 -11.386 10.292 -6.478 494 HE3 LYS 69 2HE LYS 69 -10.787 9.749 -4.911 495 HZ1 LYS 69 3HZ LYS 69 -10.526 12.265 -6.014 496 HZ2 LYS 69 1HZ LYS 69 -8.978 11.586 -6.088 497 HZ3 LYS 69 2HZ LYS 69 -9.787 11.687 -4.606 498 H GLN 70 H GLN 70 -7.647 5.068 -3.932 499 HA GLN 70 HA GLN 70 -9.537 3.028 -3.608 500 HB2 GLN 70 1HB GLN 70 -6.589 2.648 -3.138 501 HB3 GLN 70 2HB GLN 70 -7.743 1.504 -3.809 502 HG2 GLN 70 1HG GLN 70 -6.628 3.968 -5.118 503 HG3 GLN 70 2HG GLN 70 -6.375 2.286 -5.583 504 HE21 GLN 70 1HE2 GLN 70 -8.989 4.631 -5.095 505 HE22 GLN 70 2HE2 GLN 70 -9.944 4.105 -6.435 506 H ARG 71 H ARG 71 -10.547 2.410 -1.826 507 HA ARG 71 HA ARG 71 -9.317 2.918 0.778 508 HB2 ARG 71 1HB ARG 71 -11.484 3.731 0.846 509 HB3 ARG 71 2HB ARG 71 -12.111 2.440 -0.169 510 HG2 ARG 71 1HG ARG 71 -12.143 0.909 1.613 511 HG3 ARG 71 2HG ARG 71 -11.124 1.940 2.620 512 HD2 ARG 71 1HD ARG 71 -13.269 2.233 3.494 513 HD3 ARG 71 2HD ARG 71 -13.029 3.645 2.466 514 HE ARG 71 HE ARG 71 -14.870 1.446 2.017 515 HH11 ARG 71 1HH1 ARG 71 -13.294 4.273 0.733 516 HH12 ARG 71 2HH1 ARG 71 -14.457 4.508 -0.529 517 HH21 ARG 71 1HH2 ARG 71 -16.407 1.745 0.359 518 HH22 ARG 71 2HH2 ARG 71 -16.228 3.070 -0.741 519 H TYR 72 H TYR 72 -9.287 0.499 -1.394 520 HA TYR 72 HA TYR 72 -8.443 -1.448 0.515 521 HB2 TYR 72 1HB TYR 72 -10.152 -3.003 0.445 522 HB3 TYR 72 2HB TYR 72 -11.067 -1.500 0.419 523 HD1 TYR 72 2HD TYR 72 -9.952 -4.376 -1.574 524 HD2 TYR 72 1HD TYR 72 -12.292 -0.822 -1.546 525 HE1 TYR 72 2HE TYR 72 -11.043 -5.084 -3.661 526 HE2 TYR 72 1HE TYR 72 -13.390 -1.521 -3.632 527 HH TYR 72 HH TYR 72 -12.414 -4.478 -5.320 528 H TYR 73 H TYR 73 -7.336 -3.168 -0.430 529 HA TYR 73 HA TYR 73 -7.145 -3.147 -3.363 530 HB2 TYR 73 1HB TYR 73 -5.239 -1.889 -2.387 531 HB3 TYR 73 2HB TYR 73 -4.785 -3.327 -1.479 532 HD1 TYR 73 2HD TYR 73 -3.938 -5.326 -2.674 533 HD2 TYR 73 1HD TYR 73 -4.708 -1.668 -4.705 534 HE1 TYR 73 2HE TYR 73 -2.582 -6.102 -4.573 535 HE2 TYR 73 1HE TYR 73 -3.355 -2.434 -6.611 536 HH TYR 73 HH TYR 73 -2.386 -4.266 -7.562 537 H SER 74 H SER 74 -7.445 -5.093 -4.207 538 HA SER 74 HA SER 74 -7.419 -7.423 -2.458 539 HB2 SER 74 1HB SER 74 -8.233 -7.301 -5.367 540 HB3 SER 74 2HB SER 74 -8.629 -8.557 -4.195 541 HG SER 74 HG SER 74 -10.383 -7.169 -4.432 542 H ILE 75 H ILE 75 -5.467 -8.305 -2.187 543 HA ILE 75 HA ILE 75 -3.481 -8.281 -4.281 544 HB ILE 75 HB ILE 75 -3.390 -9.665 -1.598 545 HG12 ILE 75 1HG1 ILE 75 -2.269 -6.974 -2.409 546 HG13 ILE 75 2HG1 ILE 75 -3.716 -7.207 -1.435 547 HG21 ILE 75 1HG2 ILE 75 -1.806 -10.523 -3.290 548 HG22 ILE 75 2HG2 ILE 75 -1.147 -8.897 -3.459 549 HG23 ILE 75 3HG2 ILE 75 -1.001 -9.752 -1.924 550 HD11 ILE 75 3HD1 ILE 75 -2.380 -8.282 0.295 551 HD12 ILE 75 1HD1 ILE 75 -0.930 -8.055 -0.682 552 HD13 ILE 75 2HD1 ILE 75 -1.800 -6.654 -0.055 553 H GLU 76 H GLU 76 -3.699 -9.653 -5.927 554 HA GLU 76 HA GLU 76 -4.650 -12.381 -5.376 555 HB2 GLU 76 1HB GLU 76 -4.494 -10.990 -8.052 556 HB3 GLU 76 2HB GLU 76 -5.279 -12.523 -7.700 557 HG2 GLU 76 1HG GLU 76 -6.642 -11.008 -6.009 558 HG3 GLU 76 2HG GLU 76 -6.184 -9.755 -7.161 559 H ARG 77 H ARG 77 -3.728 -13.968 -7.140 560 HA ARG 77 HA ARG 77 -1.943 -15.118 -7.962 561 HB2 ARG 77 1HB ARG 77 -0.422 -12.512 -7.829 562 HB3 ARG 77 2HB ARG 77 -0.030 -13.921 -8.805 563 HG2 ARG 77 1HG ARG 77 -2.520 -12.262 -9.136 564 HG3 ARG 77 2HG ARG 77 -1.045 -12.062 -10.085 565 HD2 ARG 77 1HD ARG 77 -1.333 -14.596 -10.579 566 HD3 ARG 77 2HD ARG 77 -3.001 -14.325 -10.074 567 HE ARG 77 HE ARG 77 -2.263 -12.386 -11.978 568 HH11 ARG 77 1HH1 ARG 77 -2.981 -15.782 -11.714 569 HH12 ARG 77 2HH1 ARG 77 -3.553 -15.921 -13.344 570 HH21 ARG 77 1HH2 ARG 77 -3.015 -12.556 -14.125 571 HH22 ARG 77 2HH2 ARG 77 -3.571 -14.086 -14.714 572 H LEU 78 H LEU 78 -2.389 -15.392 -5.320 573 HA LEU 78 HA LEU 78 0.324 -15.444 -4.174 574 HB2 LEU 78 1HB LEU 78 -2.208 -15.219 -2.569 575 HB3 LEU 78 2HB LEU 78 -0.549 -15.033 -2.005 576 HG LEU 78 HG LEU 78 -1.953 -13.129 -3.879 577 HD11 LEU 78 1HD1 LEU 78 -1.582 -11.703 -1.655 578 HD12 LEU 78 2HD1 LEU 78 -1.806 -13.295 -0.929 579 HD13 LEU 78 3HD1 LEU 78 -3.057 -12.617 -1.970 580 HD21 LEU 78 3HD2 LEU 78 0.192 -11.897 -2.594 581 HD22 LEU 78 1HD2 LEU 78 0.102 -12.388 -4.286 582 HD23 LEU 78 2HD2 LEU 78 0.799 -13.478 -3.087 583 H GLU 79 H GLU 79 0.626 -17.155 -2.517 584 HA GLU 79 HA GLU 79 -0.424 -19.653 -3.516 585 HB2 GLU 79 1HB GLU 79 1.161 -20.707 -2.014 586 HB3 GLU 79 2HB GLU 79 1.955 -19.413 -2.900 587 HG2 GLU 79 1HG GLU 79 1.557 -17.949 -0.892 588 HG3 GLU 79 2HG GLU 79 1.063 -19.407 -0.033 589 H SER 80 H SER 80 -0.763 -21.336 -1.550 590 HA SER 80 HA SER 80 -2.772 -20.127 0.236 591 HB2 SER 80 1HB SER 80 -4.151 -22.117 -0.009 592 HB3 SER 80 2HB SER 80 -3.817 -21.437 -1.601 593 HG SER 80 HG SER 80 -2.207 -23.478 -0.500 594 H SER 81 H SER 81 -2.789 -20.780 2.339 595 HA SER 81 HA SER 81 -2.161 -21.834 4.268 596 HB2 SER 81 1HB SER 81 -2.253 -23.919 2.717 597 HB3 SER 81 2HB SER 81 -0.494 -23.797 2.716 598 HG SER 81 HG SER 81 -0.433 -24.342 4.784 599 H SER 82 H SER 82 -0.882 -19.612 3.758 600 HA SER 82 HA SER 82 1.740 -20.055 4.870 601 HB2 SER 82 1HB SER 82 1.797 -20.127 2.214 602 HB3 SER 82 2HB SER 82 1.782 -18.373 2.404 603 HG SER 82 HG SER 82 3.651 -18.529 3.644 604 H HIS 83 H HIS 83 2.599 -18.223 5.864 605 HA HIS 83 HA HIS 83 0.673 -16.242 6.613 606 HB2 HIS 83 1HB HIS 83 2.309 -17.081 8.229 607 HB3 HIS 83 2HB HIS 83 3.625 -16.447 7.244 608 HD1 HIS 83 1HD HIS 83 4.163 -15.169 9.582 609 HD2 HIS 83 2HD HIS 83 0.809 -13.906 7.481 610 HE1 HIS 83 1HE HIS 83 3.608 -12.897 10.505 611 HE2 HIS 83 2HE HIS 83 1.525 -12.189 9.279 612 H TYR 84 H TYR 84 0.315 -14.322 5.717 613 HA TYR 84 HA TYR 84 2.373 -13.205 3.928 614 HB2 TYR 84 1HB TYR 84 -0.522 -13.670 3.482 615 HB3 TYR 84 2HB TYR 84 0.130 -12.150 2.879 616 HD1 TYR 84 1HD TYR 84 0.862 -15.813 2.832 617 HD2 TYR 84 2HD TYR 84 1.060 -12.102 0.760 618 HE1 TYR 84 1HE TYR 84 1.715 -16.978 0.841 619 HE2 TYR 84 2HE TYR 84 1.912 -13.257 -1.238 620 HH TYR 84 HH TYR 84 2.746 -15.197 -2.028 621 H VAL 85 H VAL 85 3.228 -11.615 5.142 622 HA VAL 85 HA VAL 85 1.677 -10.006 6.932 623 HB VAL 85 HB VAL 85 4.441 -9.347 5.931 624 HG11 VAL 85 1HG1 VAL 85 3.086 -8.824 8.574 625 HG12 VAL 85 2HG1 VAL 85 4.691 -8.275 8.088 626 HG13 VAL 85 3HG1 VAL 85 3.259 -7.649 7.271 627 HG21 VAL 85 3HG2 VAL 85 3.638 -11.308 8.075 628 HG22 VAL 85 1HG2 VAL 85 4.549 -11.643 6.603 629 HG23 VAL 85 2HG2 VAL 85 5.269 -10.665 7.882 630 H ILE 86 H ILE 86 0.921 -7.953 6.680 631 HA ILE 86 HA ILE 86 1.296 -6.691 4.045 632 HB ILE 86 HB ILE 86 -1.282 -6.663 5.615 633 HG12 ILE 86 1HG1 ILE 86 -0.982 -8.050 2.985 634 HG13 ILE 86 2HG1 ILE 86 -0.430 -8.872 4.440 635 HG21 ILE 86 1HG2 ILE 86 -1.871 -5.987 3.041 636 HG22 ILE 86 2HG2 ILE 86 -1.612 -4.841 4.355 637 HG23 ILE 86 3HG2 ILE 86 -0.289 -5.240 3.259 638 HD11 ILE 86 3HD1 ILE 86 -2.555 -9.644 4.367 639 HD12 ILE 86 1HD1 ILE 86 -2.836 -8.169 5.291 640 HD13 ILE 86 2HD1 ILE 86 -3.171 -8.203 3.559 641 H SER 87 H SER 87 2.133 -4.725 4.182 642 HA SER 87 HA SER 87 1.662 -3.159 6.634 643 HB2 SER 87 1HB SER 87 3.902 -2.318 6.554 644 HB3 SER 87 2HB SER 87 4.010 -4.071 6.396 645 HG SER 87 HG SER 87 3.955 -3.538 4.015 646 H LEU 88 H LEU 88 0.188 -1.692 6.019 647 HA LEU 88 HA LEU 88 0.539 -0.320 3.449 648 HB2 LEU 88 1HB LEU 88 -1.638 -1.098 3.550 649 HB3 LEU 88 2HB LEU 88 -1.784 -0.761 5.274 650 HG LEU 88 HG LEU 88 -1.620 1.740 4.462 651 HD11 LEU 88 1HD1 LEU 88 -2.552 0.251 2.019 652 HD12 LEU 88 2HD1 LEU 88 -1.208 1.385 2.152 653 HD13 LEU 88 3HD1 LEU 88 -2.868 1.964 2.295 654 HD21 LEU 88 3HD2 LEU 88 -4.007 1.857 4.498 655 HD22 LEU 88 1HD2 LEU 88 -3.507 0.607 5.638 656 HD23 LEU 88 2HD2 LEU 88 -4.151 0.154 4.060 657 H LYS 89 H LYS 89 0.960 1.818 3.313 658 HA LYS 89 HA LYS 89 0.822 3.466 5.724 659 HB2 LYS 89 1HB LYS 89 3.058 4.190 5.636 660 HB3 LYS 89 2HB LYS 89 3.150 2.445 5.440 661 HG2 LYS 89 1HG LYS 89 3.520 2.655 3.093 662 HG3 LYS 89 2HG LYS 89 3.191 4.389 3.144 663 HD2 LYS 89 1HD LYS 89 5.466 4.465 3.185 664 HD3 LYS 89 2HD LYS 89 5.173 4.311 4.919 665 HE2 LYS 89 1HE LYS 89 5.660 1.996 4.888 666 HE3 LYS 89 2HE LYS 89 5.602 1.933 3.127 667 HZ1 LYS 89 3HZ LYS 89 7.858 1.932 3.644 668 HZ2 LYS 89 1HZ LYS 89 7.694 3.104 4.854 669 HZ3 LYS 89 2HZ LYS 89 7.552 3.543 3.226 670 H ALA 90 H ALA 90 0.574 5.668 5.335 671 HA ALA 90 HA ALA 90 -0.469 6.319 2.718 672 HB1 ALA 90 3HB ALA 90 -1.644 7.056 4.734 673 HB2 ALA 90 1HB ALA 90 -0.245 8.028 5.194 674 HB3 ALA 90 2HB ALA 90 -1.154 8.424 3.735 675 H PHE 91 H PHE 91 0.275 7.980 1.370 676 HA PHE 91 HA PHE 91 2.899 9.127 1.979 677 HB2 PHE 91 1HB PHE 91 3.852 8.482 -0.113 678 HB3 PHE 91 2HB PHE 91 3.170 7.025 0.602 679 HD1 PHE 91 1HD PHE 91 2.570 9.663 -1.921 680 HD2 PHE 91 2HD PHE 91 1.531 5.780 -0.520 681 HE1 PHE 91 1HE PHE 91 1.264 9.277 -3.970 682 HE2 PHE 91 2HE PHE 91 0.225 5.388 -2.568 683 HZ PHE 91 HZ PHE 91 0.091 7.137 -4.297 684 H ASN 92 H ASN 92 3.473 10.919 0.519 685 HA ASN 92 HA ASN 92 1.499 12.075 -1.184 686 HB2 ASN 92 1HB ASN 92 0.886 13.994 0.115 687 HB3 ASN 92 2HB ASN 92 0.574 12.571 1.105 688 HD21 ASN 92 1HD2 ASN 92 0.683 14.770 2.475 689 HD22 ASN 92 2HD2 ASN 92 2.181 14.960 3.316 690 H ASN 93 H ASN 93 2.184 14.580 -1.470 691 HA ASN 93 HA ASN 93 4.603 14.600 -2.787 692 HB2 ASN 93 1HB ASN 93 2.792 16.713 -1.732 693 HB3 ASN 93 2HB ASN 93 4.411 17.207 -2.221 694 HD21 ASN 93 1HD2 ASN 93 2.123 14.829 -3.517 695 HD22 ASN 93 2HD2 ASN 93 2.083 15.485 -5.115 696 H ALA 94 H ALA 94 3.999 14.856 0.590 697 HA ALA 94 HA ALA 94 6.563 16.036 1.223 698 HB1 ALA 94 3HB ALA 94 4.129 15.314 2.698 699 HB2 ALA 94 1HB ALA 94 5.634 15.118 3.597 700 HB3 ALA 94 2HB ALA 94 5.219 16.685 2.902 701 H GLY 95 H GLY 95 5.160 12.855 0.979 702 HA2 GLY 95 1HA GLY 95 7.078 11.209 0.513 703 HA3 GLY 95 2HA GLY 95 7.602 11.673 2.125 704 H GLU 96 H GLU 96 7.343 9.787 3.206 705 HA GLU 96 HA GLU 96 4.663 8.567 3.155 706 HB2 GLU 96 1HB GLU 96 7.235 7.248 4.032 707 HB3 GLU 96 2HB GLU 96 5.676 6.476 3.776 708 HG2 GLU 96 1HG GLU 96 5.820 6.723 1.440 709 HG3 GLU 96 2HG GLU 96 7.168 7.851 1.567 710 H GLY 97 H GLY 97 3.720 7.897 5.125 711 HA2 GLY 97 1HA GLY 97 4.842 9.270 7.489 712 HA3 GLY 97 2HA GLY 97 3.120 9.106 7.180 713 H VAL 98 H VAL 98 3.767 8.333 9.576 714 HA VAL 98 HA VAL 98 4.858 6.022 10.321 715 HB VAL 98 HB VAL 98 3.609 7.294 11.922 716 HG11 VAL 98 1HG1 VAL 98 1.606 8.128 11.458 717 HG12 VAL 98 2HG1 VAL 98 1.566 7.202 9.956 718 HG13 VAL 98 3HG1 VAL 98 0.923 6.502 11.442 719 HG21 VAL 98 3HG2 VAL 98 2.488 5.542 13.141 720 HG22 VAL 98 1HG2 VAL 98 2.303 4.588 11.669 721 HG23 VAL 98 2HG2 VAL 98 3.909 4.868 12.342 722 HA PRO 99 HA PRO 99 2.965 3.181 7.356 723 HB2 PRO 99 1HB PRO 99 4.816 1.229 7.724 724 HB3 PRO 99 2HB PRO 99 5.091 2.629 6.680 725 HG2 PRO 99 1HG PRO 99 6.003 2.155 9.492 726 HG3 PRO 99 2HG PRO 99 6.901 2.839 8.125 727 HD2 PRO 99 1HD PRO 99 5.801 4.379 10.062 728 HD3 PRO 99 2HD PRO 99 5.948 4.922 8.378 729 H LEU 100 H LEU 100 1.541 1.551 7.682 730 HA LEU 100 HA LEU 100 1.304 0.512 10.421 731 HB2 LEU 100 1HB LEU 100 -0.578 1.805 9.136 732 HB3 LEU 100 2HB LEU 100 -0.850 0.240 8.373 733 HG LEU 100 HG LEU 100 -1.010 -0.630 10.820 734 HD11 LEU 100 1HD1 LEU 100 -2.103 1.205 12.235 735 HD12 LEU 100 2HD1 LEU 100 -1.305 2.336 11.143 736 HD13 LEU 100 3HD1 LEU 100 -0.344 1.205 12.096 737 HD21 LEU 100 3HD2 LEU 100 -3.128 -0.864 10.207 738 HD22 LEU 100 1HD2 LEU 100 -2.873 0.317 8.923 739 HD23 LEU 100 2HD2 LEU 100 -3.433 0.847 10.509 740 H TYR 101 H TYR 101 1.795 -1.541 10.791 741 HA TYR 101 HA TYR 101 2.181 -3.334 8.513 742 HB2 TYR 101 1HB TYR 101 3.187 -3.269 11.330 743 HB3 TYR 101 2HB TYR 101 3.140 -4.807 10.475 744 HD1 TYR 101 1HD TYR 101 4.366 -1.306 10.064 745 HD2 TYR 101 2HD TYR 101 4.948 -5.422 9.160 746 HE1 TYR 101 1HE TYR 101 6.505 -0.759 8.980 747 HE2 TYR 101 2HE TYR 101 7.089 -4.887 8.074 748 HH TYR 101 HH TYR 101 7.961 -2.202 6.952 749 H GLU 102 H GLU 102 1.468 -5.583 8.692 750 HA GLU 102 HA GLU 102 -0.571 -6.283 10.577 751 HB2 GLU 102 1HB GLU 102 -1.591 -4.749 8.669 752 HB3 GLU 102 2HB GLU 102 -1.586 -6.261 7.772 753 HG2 GLU 102 1HG GLU 102 -3.716 -5.678 8.986 754 HG3 GLU 102 2HG GLU 102 -3.061 -7.288 9.280 755 H SER 103 H SER 103 -1.643 -8.425 9.863 756 HA SER 103 HA SER 103 0.194 -10.048 8.254 757 HB2 SER 103 1HB SER 103 -0.437 -10.384 11.146 758 HB3 SER 103 2HB SER 103 -0.311 -11.844 10.166 759 HG SER 103 HG SER 103 1.651 -9.868 10.644 760 H ALA 104 H ALA 104 -0.732 -11.861 7.283 761 HA ALA 104 HA ALA 104 -3.488 -12.552 7.780 762 HB1 ALA 104 3HB ALA 104 -3.508 -10.502 6.265 763 HB2 ALA 104 1HB ALA 104 -2.849 -11.562 5.018 764 HB3 ALA 104 2HB ALA 104 -4.426 -11.909 5.728 765 H THR 105 H THR 105 -3.323 -14.693 7.838 766 HA THR 105 HA THR 105 -1.432 -16.076 6.111 767 HB THR 105 HB THR 105 -3.276 -17.308 8.161 768 HG1 THR 105 1HG THR 105 -1.563 -15.584 8.790 769 HG21 THR 105 3HG2 THR 105 -2.230 -18.826 6.496 770 HG22 THR 105 1HG2 THR 105 -1.700 -19.140 8.147 771 HG23 THR 105 2HG2 THR 105 -0.645 -18.271 7.033 772 H THR 106 H THR 106 -2.080 -16.562 4.121 773 HA THR 106 HA THR 106 -4.625 -16.548 3.096 774 HB THR 106 HB THR 106 -3.740 -18.152 1.332 775 HG1 THR 106 1HG THR 106 -1.796 -19.000 1.594 776 HG21 THR 106 3HG2 THR 106 -1.918 -15.811 1.850 777 HG22 THR 106 1HG2 THR 106 -3.578 -15.619 1.289 778 HG23 THR 106 2HG2 THR 106 -2.406 -16.489 0.297 779 H ARG 107 H ARG 107 -5.870 -18.439 2.210 780 HA ARG 107 HA ARG 107 -6.358 -20.313 4.374 781 HB2 ARG 107 1HB ARG 107 -7.886 -20.288 1.795 782 HB3 ARG 107 2HB ARG 107 -8.442 -20.708 3.409 783 HG2 ARG 107 1HG ARG 107 -7.609 -17.910 2.755 784 HG3 ARG 107 2HG ARG 107 -9.226 -18.497 2.362 785 HD2 ARG 107 1HD ARG 107 -7.981 -18.575 5.108 786 HD3 ARG 107 2HD ARG 107 -9.103 -17.335 4.547 787 HE ARG 107 HE ARG 107 -10.078 -20.046 4.333 788 HH11 ARG 107 1HH1 ARG 107 -9.861 -17.186 6.307 789 HH12 ARG 107 2HH1 ARG 107 -11.246 -17.586 7.268 790 HH21 ARG 107 1HH2 ARG 107 -11.903 -20.583 5.591 791 HH22 ARG 107 2HH2 ARG 107 -12.406 -19.519 6.861 792 H SER 108 H SER 108 -7.156 -22.585 3.425 793 HA SER 108 HA SER 108 -4.893 -23.604 1.840 794 HB2 SER 108 1HB SER 108 -6.618 -25.114 3.819 795 HB3 SER 108 2HB SER 108 -5.201 -25.740 2.976 796 HG SER 108 HG SER 108 -4.727 -23.411 4.339 797 H ILE 109 H ILE 109 -5.411 -24.085 -0.180 798 HA ILE 109 HA ILE 109 -7.776 -24.076 -1.443 799 HB ILE 109 HB ILE 109 -5.586 -26.088 -1.969 800 HG12 ILE 109 1HG1 ILE 109 -4.948 -23.646 -1.974 801 HG13 ILE 109 2HG1 ILE 109 -4.671 -24.490 -3.494 802 HG21 ILE 109 1HG2 ILE 109 -7.968 -26.386 -2.999 803 HG22 ILE 109 2HG2 ILE 109 -7.456 -25.074 -4.059 804 HG23 ILE 109 3HG2 ILE 109 -6.534 -26.576 -4.008 805 HD11 ILE 109 3HD1 ILE 109 -7.210 -22.985 -3.058 806 HD12 ILE 109 1HD1 ILE 109 -5.732 -22.134 -3.507 807 HD13 ILE 109 2HD1 ILE 109 -6.387 -23.385 -4.565 808 H THR 110 H THR 110 -9.659 -24.989 -0.993 809 HA THR 110 HA THR 110 -9.679 -27.766 -0.002 810 HB THR 110 HB THR 110 -10.531 -26.343 1.727 811 HG1 THR 110 1HG THR 110 -12.896 -27.033 1.551 812 HG21 THR 110 3HG2 THR 110 -11.619 -24.856 -0.491 813 HG22 THR 110 1HG2 THR 110 -11.396 -24.359 1.185 814 HG23 THR 110 2HG2 THR 110 -12.870 -25.199 0.702 815 H SER 111 H SER 111 -11.055 -25.460 -2.240 816 HA SER 111 HA SER 111 -12.705 -25.685 -3.843 817 HB2 SER 111 1HB SER 111 -11.989 -27.141 -5.607 818 HB3 SER 111 2HB SER 111 -10.533 -26.532 -4.820 819 HG SER 111 HG SER 111 -10.530 -28.829 -5.220 820 H GLY 112 H GLY 112 -13.752 -26.646 -1.498 821 HA2 GLY 112 1HA GLY 112 -15.031 -29.197 -2.229 822 HA3 GLY 112 2HA GLY 112 -14.937 -28.540 -0.602 823 HA PRO 113 HA PRO 113 -18.815 -27.122 -3.129 824 HB2 PRO 113 1HB PRO 113 -20.475 -29.263 -2.944 825 HB3 PRO 113 2HB PRO 113 -19.384 -29.009 -4.311 826 HG2 PRO 113 1HG PRO 113 -19.042 -30.772 -1.916 827 HG3 PRO 113 2HG PRO 113 -18.683 -31.115 -3.619 828 HD2 PRO 113 1HD PRO 113 -16.765 -30.428 -1.836 829 HD3 PRO 113 2HD PRO 113 -16.674 -29.987 -3.554 830 H SER 114 H SER 114 -20.359 -26.088 -1.984 831 HA SER 114 HA SER 114 -20.998 -27.084 0.710 832 HB2 SER 114 1HB SER 114 -20.536 -24.181 -0.015 833 HB3 SER 114 2HB SER 114 -20.941 -24.809 1.583 834 HG SER 114 HG SER 114 -18.678 -25.805 0.265 835 H SER 115 H SER 115 -23.094 -27.460 0.900 836 HA SER 115 HA SER 115 -25.346 -27.400 0.580 837 HB2 SER 115 1HB SER 115 -24.683 -24.487 0.123 838 HB3 SER 115 2HB SER 115 -26.335 -25.101 0.193 839 HG SER 115 HG SER 115 -24.420 -24.885 2.225 840 H GLY 116 H GLY 116 -23.908 -28.345 -1.586 841 HA2 GLY 116 1HA GLY 116 -24.000 -28.693 -3.862 842 HA3 GLY 116 2HA GLY 116 -25.727 -28.468 -3.621 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -23.542 14.158 -10.495 2 HA2 GLY 1 1HA GLY 1 -21.626 15.374 -8.602 3 HA3 GLY 1 2HA GLY 1 -23.332 15.790 -8.671 4 H SER 2 H SER 2 -23.380 15.317 -6.389 5 HA SER 2 HA SER 2 -23.994 14.004 -4.634 6 HB2 SER 2 1HB SER 2 -25.532 12.988 -6.344 7 HB3 SER 2 2HB SER 2 -24.297 11.766 -6.647 8 HG SER 2 HG SER 2 -24.811 10.803 -4.843 9 H SER 3 H SER 3 -21.294 14.342 -5.093 10 HA SER 3 HA SER 3 -20.217 12.096 -3.673 11 HB2 SER 3 1HB SER 3 -19.664 12.453 -6.580 12 HB3 SER 3 2HB SER 3 -18.318 11.979 -5.544 13 HG SER 3 HG SER 3 -19.294 10.115 -6.220 14 H GLY 4 H GLY 4 -18.144 12.510 -2.787 15 HA2 GLY 4 1HA GLY 4 -17.208 15.291 -3.126 16 HA3 GLY 4 2HA GLY 4 -17.387 14.570 -1.533 17 H SER 5 H SER 5 -15.902 13.612 -4.634 18 HA SER 5 HA SER 5 -13.692 12.395 -3.198 19 HB2 SER 5 1HB SER 5 -14.877 11.468 -5.321 20 HB3 SER 5 2HB SER 5 -13.858 12.616 -6.191 21 HG SER 5 HG SER 5 -12.775 10.669 -6.067 22 H SER 6 H SER 6 -14.094 14.893 -5.705 23 HA SER 6 HA SER 6 -11.459 15.714 -5.905 24 HB2 SER 6 1HB SER 6 -12.379 17.893 -6.685 25 HB3 SER 6 2HB SER 6 -13.155 16.507 -7.451 26 HG SER 6 HG SER 6 -14.900 16.765 -6.041 27 H GLY 7 H GLY 7 -10.128 17.037 -4.770 28 HA2 GLY 7 1HA GLY 7 -11.060 18.813 -2.730 29 HA3 GLY 7 2HA GLY 7 -10.367 17.348 -2.050 30 HA PRO 8 HA PRO 8 -6.933 19.920 -4.369 31 HB2 PRO 8 1HB PRO 8 -7.404 22.594 -4.325 32 HB3 PRO 8 2HB PRO 8 -7.906 21.551 -5.662 33 HG2 PRO 8 1HG PRO 8 -9.518 22.595 -3.366 34 HG3 PRO 8 2HG PRO 8 -9.957 22.479 -5.080 35 HD2 PRO 8 1HD PRO 8 -10.798 20.683 -3.238 36 HD3 PRO 8 2HD PRO 8 -10.477 20.239 -4.926 37 H GLU 9 H GLU 9 -5.420 21.730 -3.475 38 HA GLU 9 HA GLU 9 -5.262 21.314 -0.610 39 HB2 GLU 9 1HB GLU 9 -3.395 22.580 -2.613 40 HB3 GLU 9 2HB GLU 9 -3.070 22.565 -0.886 41 HG2 GLU 9 1HG GLU 9 -2.861 20.227 -0.835 42 HG3 GLU 9 2HG GLU 9 -3.588 20.048 -2.431 43 H ASN 10 H ASN 10 -6.908 22.583 0.239 44 HA ASN 10 HA ASN 10 -6.773 25.470 -0.264 45 HB2 ASN 10 1HB ASN 10 -8.983 25.508 0.945 46 HB3 ASN 10 2HB ASN 10 -8.983 24.596 -0.561 47 HD21 ASN 10 1HD2 ASN 10 -10.624 24.465 1.943 48 HD22 ASN 10 2HD2 ASN 10 -10.566 22.803 2.411 49 H ASP 11 H ASP 11 -7.325 23.309 2.523 50 HA ASP 11 HA ASP 11 -5.573 25.043 4.118 51 HB2 ASP 11 1HB ASP 11 -8.328 24.081 4.902 52 HB3 ASP 11 2HB ASP 11 -7.169 24.755 6.044 53 H LEU 12 H LEU 12 -4.996 22.539 2.881 54 HA LEU 12 HA LEU 12 -4.944 20.656 5.127 55 HB2 LEU 12 1HB LEU 12 -4.052 20.128 2.305 56 HB3 LEU 12 2HB LEU 12 -4.447 18.952 3.557 57 HG LEU 12 HG LEU 12 -6.593 20.790 2.617 58 HD11 LEU 12 1HD1 LEU 12 -6.696 20.026 0.536 59 HD12 LEU 12 2HD1 LEU 12 -6.551 18.355 1.078 60 HD13 LEU 12 3HD1 LEU 12 -5.101 19.314 0.782 61 HD21 LEU 12 3HD2 LEU 12 -7.000 19.243 4.460 62 HD22 LEU 12 1HD2 LEU 12 -6.527 17.887 3.436 63 HD23 LEU 12 2HD2 LEU 12 -7.973 18.821 3.050 64 H ASP 13 H ASP 13 -2.862 19.298 5.207 65 HA ASP 13 HA ASP 13 -0.552 21.117 5.002 66 HB2 ASP 13 1HB ASP 13 -1.327 20.549 7.338 67 HB3 ASP 13 2HB ASP 13 -0.873 18.879 7.006 68 H GLU 14 H GLU 14 0.633 20.512 3.308 69 HA GLU 14 HA GLU 14 0.862 17.676 2.639 70 HB2 GLU 14 1HB GLU 14 0.407 19.689 0.987 71 HB3 GLU 14 2HB GLU 14 2.159 19.827 1.024 72 HG2 GLU 14 1HG GLU 14 2.463 17.711 0.082 73 HG3 GLU 14 2HG GLU 14 0.805 17.222 0.428 74 H SER 15 H SER 15 2.780 20.405 3.715 75 HA SER 15 HA SER 15 5.349 19.568 3.305 76 HB2 SER 15 1HB SER 15 4.631 21.715 4.403 77 HB3 SER 15 2HB SER 15 4.390 20.805 5.894 78 HG SER 15 HG SER 15 6.740 20.120 5.260 79 H GLN 16 H GLN 16 3.033 18.317 5.597 80 HA GLN 16 HA GLN 16 5.068 16.502 6.691 81 HB2 GLN 16 1HB GLN 16 3.708 16.222 8.598 82 HB3 GLN 16 2HB GLN 16 3.641 17.941 8.234 83 HG2 GLN 16 1HG GLN 16 1.459 17.826 7.463 84 HG3 GLN 16 2HG GLN 16 1.544 16.086 7.191 85 HE21 GLN 16 1HE2 GLN 16 0.563 18.522 9.278 86 HE22 GLN 16 2HE2 GLN 16 0.192 17.547 10.655 87 H VAL 17 H VAL 17 4.795 14.288 6.650 88 HA VAL 17 HA VAL 17 3.335 13.229 4.458 89 HB VAL 17 HB VAL 17 4.058 11.020 5.287 90 HG11 VAL 17 1HG1 VAL 17 5.823 13.265 4.694 91 HG12 VAL 17 2HG1 VAL 17 6.628 11.942 5.539 92 HG13 VAL 17 3HG1 VAL 17 5.792 11.638 4.016 93 HG21 VAL 17 3HG2 VAL 17 3.989 11.097 7.602 94 HG22 VAL 17 1HG2 VAL 17 5.721 11.162 7.273 95 HG23 VAL 17 2HG2 VAL 17 4.844 12.638 7.679 96 HA PRO 18 HA PRO 18 -0.577 12.306 6.230 97 HB2 PRO 18 1HB PRO 18 -1.244 10.074 4.835 98 HB3 PRO 18 2HB PRO 18 -1.243 11.690 4.118 99 HG2 PRO 18 1HG PRO 18 0.834 9.541 3.949 100 HG3 PRO 18 2HG PRO 18 0.216 10.603 2.670 101 HD2 PRO 18 1HD PRO 18 2.573 11.054 3.926 102 HD3 PRO 18 2HD PRO 18 1.546 12.370 3.322 103 H ASP 19 H ASP 19 -0.966 11.493 8.182 104 HA ASP 19 HA ASP 19 0.576 9.574 9.476 105 HB2 ASP 19 1HB ASP 19 -2.097 10.798 9.974 106 HB3 ASP 19 2HB ASP 19 -1.653 9.374 10.910 107 H GLN 20 H GLN 20 -0.426 7.508 10.452 108 HA GLN 20 HA GLN 20 -1.013 5.753 8.273 109 HB2 GLN 20 1HB GLN 20 -0.588 4.031 9.731 110 HB3 GLN 20 2HB GLN 20 0.285 5.331 10.531 111 HG2 GLN 20 1HG GLN 20 -1.874 5.703 11.858 112 HG3 GLN 20 2HG GLN 20 -2.348 4.113 11.264 113 HE21 GLN 20 1HE2 GLN 20 0.651 3.481 11.294 114 HE22 GLN 20 2HE2 GLN 20 0.952 3.051 12.939 115 HA PRO 21 HA PRO 21 -5.394 5.575 8.364 116 HB2 PRO 21 1HB PRO 21 -5.870 2.937 7.935 117 HB3 PRO 21 2HB PRO 21 -5.266 4.021 6.677 118 HG2 PRO 21 1HG PRO 21 -3.759 2.088 8.394 119 HG3 PRO 21 2HG PRO 21 -3.593 2.407 6.657 120 HD2 PRO 21 1HD PRO 21 -1.897 3.442 8.497 121 HD3 PRO 21 2HD PRO 21 -2.317 4.296 6.998 122 H SER 22 H SER 22 -6.741 5.725 10.034 123 HA SER 22 HA SER 22 -6.379 5.058 12.602 124 HB2 SER 22 1HB SER 22 -8.327 6.318 11.923 125 HB3 SER 22 2HB SER 22 -8.996 4.917 11.087 126 HG SER 22 HG SER 22 -8.501 5.067 13.879 127 H SER 23 H SER 23 -7.211 2.839 10.057 128 HA SER 23 HA SER 23 -6.458 0.580 11.602 129 HB2 SER 23 1HB SER 23 -8.673 -0.575 11.568 130 HB3 SER 23 2HB SER 23 -8.636 0.833 12.630 131 HG SER 23 HG SER 23 -9.995 0.440 10.232 132 H LEU 24 H LEU 24 -6.297 -1.319 10.360 133 HA LEU 24 HA LEU 24 -6.934 -1.034 7.503 134 HB2 LEU 24 1HB LEU 24 -4.698 -0.675 7.318 135 HB3 LEU 24 2HB LEU 24 -4.324 -1.555 8.798 136 HG LEU 24 HG LEU 24 -4.640 -3.679 7.584 137 HD11 LEU 24 1HD1 LEU 24 -5.917 -3.570 5.755 138 HD12 LEU 24 2HD1 LEU 24 -4.448 -3.048 4.932 139 HD13 LEU 24 3HD1 LEU 24 -5.601 -1.851 5.520 140 HD21 LEU 24 3HD2 LEU 24 -2.710 -2.481 5.797 141 HD22 LEU 24 1HD2 LEU 24 -2.469 -3.641 7.104 142 HD23 LEU 24 2HD2 LEU 24 -2.498 -1.912 7.453 143 H HIS 25 H HIS 25 -8.439 -2.532 7.142 144 HA HIS 25 HA HIS 25 -8.418 -5.048 8.588 145 HB2 HIS 25 1HB HIS 25 -10.551 -3.899 8.230 146 HB3 HIS 25 2HB HIS 25 -10.322 -3.990 6.486 147 HD1 HIS 25 1HD HIS 25 -12.399 -5.414 6.073 148 HD2 HIS 25 2HD HIS 25 -9.713 -7.137 8.732 149 HE1 HIS 25 1HE HIS 25 -13.181 -7.784 6.376 150 HE2 HIS 25 2HE HIS 25 -11.590 -8.782 8.055 151 H VAL 26 H VAL 26 -7.903 -7.013 7.773 152 HA VAL 26 HA VAL 26 -7.338 -7.266 4.913 153 HB VAL 26 HB VAL 26 -5.196 -8.357 5.305 154 HG11 VAL 26 1HG1 VAL 26 -4.485 -6.279 4.910 155 HG12 VAL 26 2HG1 VAL 26 -5.736 -5.570 5.933 156 HG13 VAL 26 3HG1 VAL 26 -4.232 -6.151 6.650 157 HG21 VAL 26 3HG2 VAL 26 -5.403 -9.339 7.429 158 HG22 VAL 26 1HG2 VAL 26 -4.178 -8.087 7.628 159 HG23 VAL 26 2HG2 VAL 26 -5.825 -7.806 8.191 160 H ARG 27 H ARG 27 -8.005 -9.155 4.091 161 HA ARG 27 HA ARG 27 -8.619 -11.341 5.970 162 HB2 ARG 27 1HB ARG 27 -10.254 -10.169 3.756 163 HB3 ARG 27 2HB ARG 27 -10.418 -11.880 4.126 164 HG2 ARG 27 1HG ARG 27 -10.869 -11.205 6.510 165 HG3 ARG 27 2HG ARG 27 -10.974 -9.542 5.927 166 HD2 ARG 27 1HD ARG 27 -12.576 -11.614 4.526 167 HD3 ARG 27 2HD ARG 27 -13.108 -11.107 6.129 168 HE ARG 27 HE ARG 27 -12.554 -8.949 4.289 169 HH11 ARG 27 1HH1 ARG 27 -14.943 -11.137 5.565 170 HH12 ARG 27 2HH1 ARG 27 -16.285 -10.134 5.127 171 HH21 ARG 27 1HH2 ARG 27 -14.314 -7.619 3.708 172 HH22 ARG 27 2HH2 ARG 27 -15.926 -8.133 4.070 173 HA PRO 28 HA PRO 28 -5.658 -13.259 3.155 174 HB2 PRO 28 1HB PRO 28 -5.188 -15.396 4.762 175 HB3 PRO 28 2HB PRO 28 -4.424 -13.821 5.010 176 HG2 PRO 28 1HG PRO 28 -6.798 -15.013 6.390 177 HG3 PRO 28 2HG PRO 28 -5.438 -14.111 7.082 178 HD2 PRO 28 1HD PRO 28 -7.849 -12.974 6.607 179 HD3 PRO 28 2HD PRO 28 -6.326 -12.069 6.488 180 H GLN 29 H GLN 29 -6.771 -14.040 1.439 181 HA GLN 29 HA GLN 29 -8.751 -16.146 1.832 182 HB2 GLN 29 1HB GLN 29 -7.985 -14.962 -0.821 183 HB3 GLN 29 2HB GLN 29 -9.509 -15.699 -0.345 184 HG2 GLN 29 1HG GLN 29 -8.503 -13.122 0.824 185 HG3 GLN 29 2HG GLN 29 -9.518 -13.199 -0.616 186 HE21 GLN 29 1HE2 GLN 29 -11.179 -12.072 0.394 187 HE22 GLN 29 2HE2 GLN 29 -12.182 -12.797 1.600 188 H THR 30 H THR 30 -8.648 -17.677 -0.329 189 HA THR 30 HA THR 30 -6.675 -19.550 0.183 190 HB THR 30 HB THR 30 -7.708 -19.368 -2.606 191 HG1 THR 30 1HG THR 30 -9.399 -20.223 -0.497 192 HG21 THR 30 3HG2 THR 30 -7.124 -21.489 -0.584 193 HG22 THR 30 1HG2 THR 30 -6.590 -21.360 -2.259 194 HG23 THR 30 2HG2 THR 30 -8.252 -21.828 -1.896 195 H ASN 31 H ASN 31 -6.816 -17.727 -2.875 196 HA ASN 31 HA ASN 31 -3.871 -17.696 -2.875 197 HB2 ASN 31 1HB ASN 31 -5.726 -17.583 -5.263 198 HB3 ASN 31 2HB ASN 31 -3.968 -17.669 -5.309 199 HD21 ASN 31 1HD2 ASN 31 -3.223 -19.579 -3.723 200 HD22 ASN 31 2HD2 ASN 31 -3.958 -21.094 -4.109 201 H CYS 32 H CYS 32 -6.447 -15.766 -2.314 202 HA CYS 32 HA CYS 32 -5.010 -13.373 -3.251 203 HB2 CYS 32 1HB CYS 32 -7.368 -12.322 -3.330 204 HB3 CYS 32 2HB CYS 32 -6.893 -13.395 -4.641 205 HG CYS 32 HG CYS 32 -9.605 -13.534 -3.036 206 H ILE 33 H ILE 33 -5.913 -11.362 -2.026 207 HA ILE 33 HA ILE 33 -6.742 -11.864 0.691 208 HB ILE 33 HB ILE 33 -4.028 -10.628 0.215 209 HG12 ILE 33 1HG1 ILE 33 -4.784 -13.324 1.364 210 HG13 ILE 33 2HG1 ILE 33 -3.955 -13.039 -0.163 211 HG21 ILE 33 1HG2 ILE 33 -4.004 -9.994 2.364 212 HG22 ILE 33 2HG2 ILE 33 -5.757 -10.150 2.266 213 HG23 ILE 33 3HG2 ILE 33 -4.789 -11.476 2.911 214 HD11 ILE 33 3HD1 ILE 33 -1.971 -12.818 0.828 215 HD12 ILE 33 1HD1 ILE 33 -2.625 -11.846 2.145 216 HD13 ILE 33 2HD1 ILE 33 -2.745 -13.605 2.203 217 H ILE 34 H ILE 34 -8.365 -10.427 0.681 218 HA ILE 34 HA ILE 34 -8.050 -7.822 -0.553 219 HB ILE 34 HB ILE 34 -10.383 -9.078 0.893 220 HG12 ILE 34 1HG1 ILE 34 -11.385 -9.092 -1.384 221 HG13 ILE 34 2HG1 ILE 34 -9.863 -8.488 -2.030 222 HG21 ILE 34 1HG2 ILE 34 -9.881 -6.354 0.515 223 HG22 ILE 34 2HG2 ILE 34 -11.058 -6.796 -0.720 224 HG23 ILE 34 3HG2 ILE 34 -11.406 -7.108 0.980 225 HD11 ILE 34 3HD1 ILE 34 -10.432 -11.030 -2.102 226 HD12 ILE 34 1HD1 ILE 34 -8.793 -10.489 -1.743 227 HD13 ILE 34 2HD1 ILE 34 -9.860 -10.998 -0.435 228 H MET 35 H MET 35 -7.713 -5.935 0.472 229 HA MET 35 HA MET 35 -7.835 -5.901 3.410 230 HB2 MET 35 1HB MET 35 -5.791 -4.265 3.130 231 HB3 MET 35 2HB MET 35 -5.547 -6.005 3.202 232 HG2 MET 35 1HG MET 35 -5.390 -6.113 0.789 233 HG3 MET 35 2HG MET 35 -5.717 -4.386 0.672 234 HE1 MET 35 3HE MET 35 -4.401 -2.911 2.540 235 HE2 MET 35 1HE MET 35 -2.638 -2.861 2.480 236 HE3 MET 35 2HE MET 35 -3.581 -2.468 1.042 237 H SER 36 H SER 36 -8.868 -4.194 4.245 238 HA SER 36 HA SER 36 -9.359 -1.875 2.495 239 HB2 SER 36 1HB SER 36 -11.452 -2.950 2.543 240 HB3 SER 36 2HB SER 36 -11.286 -3.393 4.242 241 HG SER 36 HG SER 36 -11.675 -0.782 3.197 242 H TRP 37 H TRP 37 -8.416 -0.134 3.304 243 HA TRP 37 HA TRP 37 -8.146 0.102 6.226 244 HB2 TRP 37 1HB TRP 37 -6.291 1.686 5.733 245 HB3 TRP 37 2HB TRP 37 -5.998 0.064 5.112 246 HD1 TRP 37 HD TRP 37 -6.282 3.649 4.023 247 HE1 TRP 37 1HE TRP 37 -5.895 3.814 1.484 248 HE3 TRP 37 3HE TRP 37 -6.437 -1.326 2.853 249 HZ2 TRP 37 2HZ TRP 37 -5.683 2.067 -0.723 250 HZ3 TRP 37 3HZ TRP 37 -6.133 -1.995 0.505 251 HH2 TRP 37 HH TRP 37 -5.765 -0.332 -1.245 252 H THR 38 H THR 38 -7.717 2.688 6.633 253 HA THR 38 HA THR 38 -9.935 4.141 5.363 254 HB THR 38 HB THR 38 -10.106 5.162 7.843 255 HG1 THR 38 1HG THR 38 -8.547 3.576 8.606 256 HG21 THR 38 3HG2 THR 38 -11.572 3.209 6.282 257 HG22 THR 38 1HG2 THR 38 -12.176 4.515 7.302 258 HG23 THR 38 2HG2 THR 38 -11.782 2.950 8.014 259 HA PRO 39 HA PRO 39 -7.256 7.608 5.129 260 HB2 PRO 39 1HB PRO 39 -8.901 9.687 5.715 261 HB3 PRO 39 2HB PRO 39 -8.996 8.784 4.198 262 HG2 PRO 39 1HG PRO 39 -10.668 8.520 6.667 263 HG3 PRO 39 2HG PRO 39 -11.174 8.514 4.968 264 HD2 PRO 39 1HD PRO 39 -10.899 6.242 6.414 265 HD3 PRO 39 2HD PRO 39 -10.582 6.307 4.669 266 HA PRO 40 HA PRO 40 -5.635 8.862 9.019 267 HB2 PRO 40 1HB PRO 40 -4.824 11.408 8.544 268 HB3 PRO 40 2HB PRO 40 -3.996 9.996 7.876 269 HG2 PRO 40 1HG PRO 40 -5.983 11.819 6.575 270 HG3 PRO 40 2HG PRO 40 -4.480 11.148 5.915 271 HD2 PRO 40 1HD PRO 40 -6.915 10.116 5.333 272 HD3 PRO 40 2HD PRO 40 -5.452 9.115 5.431 273 H LEU 41 H LEU 41 -6.466 9.533 10.903 274 HA LEU 41 HA LEU 41 -8.986 10.591 11.207 275 HB2 LEU 41 1HB LEU 41 -6.587 10.614 13.008 276 HB3 LEU 41 2HB LEU 41 -8.120 11.322 13.512 277 HG LEU 41 HG LEU 41 -8.113 8.506 12.544 278 HD11 LEU 41 1HD1 LEU 41 -7.597 8.912 15.423 279 HD12 LEU 41 2HD1 LEU 41 -6.223 9.115 14.337 280 HD13 LEU 41 3HD1 LEU 41 -7.116 7.594 14.355 281 HD21 LEU 41 3HD2 LEU 41 -9.800 8.373 14.425 282 HD22 LEU 41 1HD2 LEU 41 -10.237 9.401 13.060 283 HD23 LEU 41 2HD2 LEU 41 -9.653 10.127 14.557 284 H ASN 42 H ASN 42 -6.151 12.214 10.256 285 HA ASN 42 HA ASN 42 -7.270 14.837 10.950 286 HB2 ASN 42 1HB ASN 42 -4.744 13.966 11.293 287 HB3 ASN 42 2HB ASN 42 -4.598 14.647 9.675 288 HD21 ASN 42 1HD2 ASN 42 -5.369 16.880 9.404 289 HD22 ASN 42 2HD2 ASN 42 -5.131 17.989 10.708 290 HA PRO 43 HA PRO 43 -8.550 14.657 6.593 291 HB2 PRO 43 1HB PRO 43 -10.484 16.542 6.872 292 HB3 PRO 43 2HB PRO 43 -10.729 14.845 7.299 293 HG2 PRO 43 1HG PRO 43 -10.091 17.172 9.072 294 HG3 PRO 43 2HG PRO 43 -11.248 15.853 9.329 295 HD2 PRO 43 1HD PRO 43 -8.803 15.893 10.492 296 HD3 PRO 43 2HD PRO 43 -9.613 14.384 10.023 297 H ASN 44 H ASN 44 -6.985 16.946 8.476 298 HA ASN 44 HA ASN 44 -6.995 19.036 6.446 299 HB2 ASN 44 1HB ASN 44 -5.625 18.913 9.142 300 HB3 ASN 44 2HB ASN 44 -5.655 20.317 8.079 301 HD21 ASN 44 1HD2 ASN 44 -7.755 18.080 9.827 302 HD22 ASN 44 2HD2 ASN 44 -9.007 19.227 10.146 303 H ILE 45 H ILE 45 -5.585 16.238 6.445 304 HA ILE 45 HA ILE 45 -2.924 17.233 5.665 305 HB ILE 45 HB ILE 45 -3.682 14.417 6.450 306 HG12 ILE 45 1HG1 ILE 45 -3.790 15.924 8.371 307 HG13 ILE 45 2HG1 ILE 45 -2.391 14.864 8.504 308 HG21 ILE 45 1HG2 ILE 45 -0.898 14.933 6.630 309 HG22 ILE 45 2HG2 ILE 45 -1.741 13.800 5.575 310 HG23 ILE 45 3HG2 ILE 45 -1.451 15.455 5.038 311 HD11 ILE 45 3HD1 ILE 45 -1.803 17.096 9.175 312 HD12 ILE 45 1HD1 ILE 45 -0.968 16.690 7.676 313 HD13 ILE 45 2HD1 ILE 45 -2.381 17.744 7.640 314 H VAL 46 H VAL 46 -2.056 16.654 3.698 315 HA VAL 46 HA VAL 46 -3.966 15.904 1.662 316 HB VAL 46 HB VAL 46 -1.032 16.591 1.444 317 HG11 VAL 46 1HG1 VAL 46 -2.438 16.985 -0.989 318 HG12 VAL 46 2HG1 VAL 46 -1.100 15.884 -0.659 319 HG13 VAL 46 3HG1 VAL 46 -2.764 15.345 -0.430 320 HG21 VAL 46 3HG2 VAL 46 -3.486 18.180 1.568 321 HG22 VAL 46 1HG2 VAL 46 -1.811 18.653 1.851 322 HG23 VAL 46 2HG2 VAL 46 -2.440 18.577 0.205 323 H VAL 47 H VAL 47 -4.096 14.006 0.600 324 HA VAL 47 HA VAL 47 -2.068 11.952 1.195 325 HB VAL 47 HB VAL 47 -5.056 11.534 1.028 326 HG11 VAL 47 1HG1 VAL 47 -3.165 9.756 0.231 327 HG12 VAL 47 2HG1 VAL 47 -3.337 9.336 1.936 328 HG13 VAL 47 3HG1 VAL 47 -4.746 9.314 0.875 329 HG21 VAL 47 3HG2 VAL 47 -5.056 11.155 3.327 330 HG22 VAL 47 1HG2 VAL 47 -3.308 10.931 3.387 331 HG23 VAL 47 2HG2 VAL 47 -3.983 12.542 3.144 332 H ARG 48 H ARG 48 -1.073 11.338 -0.598 333 HA ARG 48 HA ARG 48 -2.353 11.744 -3.185 334 HB2 ARG 48 1HB ARG 48 0.464 10.970 -2.416 335 HB3 ARG 48 2HB ARG 48 -0.092 11.111 -4.078 336 HG2 ARG 48 1HG ARG 48 0.262 13.264 -2.028 337 HG3 ARG 48 2HG ARG 48 0.963 13.140 -3.643 338 HD2 ARG 48 1HD ARG 48 -1.594 13.186 -4.343 339 HD3 ARG 48 2HD ARG 48 -1.744 14.028 -2.801 340 HE ARG 48 HE ARG 48 0.259 15.370 -3.954 341 HH11 ARG 48 1HH1 ARG 48 -2.845 14.370 -5.173 342 HH12 ARG 48 2HH1 ARG 48 -2.992 15.707 -6.265 343 HH21 ARG 48 1HH2 ARG 48 0.077 17.134 -5.389 344 HH22 ARG 48 2HH2 ARG 48 -1.329 17.278 -6.388 345 H GLY 49 H GLY 49 -1.778 9.239 -0.945 346 HA2 GLY 49 1HA GLY 49 -3.292 7.308 -2.133 347 HA3 GLY 49 2HA GLY 49 -1.700 7.076 -2.840 348 H TYR 50 H TYR 50 -1.571 5.007 -1.875 349 HA TYR 50 HA TYR 50 -0.497 5.083 0.809 350 HB2 TYR 50 1HB TYR 50 -2.590 3.001 0.437 351 HB3 TYR 50 2HB TYR 50 -2.060 3.814 1.906 352 HD1 TYR 50 2HD TYR 50 -4.196 4.108 -1.084 353 HD2 TYR 50 1HD TYR 50 -3.119 5.824 2.658 354 HE1 TYR 50 2HE TYR 50 -6.158 5.586 -1.203 355 HE2 TYR 50 1HE TYR 50 -5.079 7.305 2.550 356 HH TYR 50 HH TYR 50 -7.582 6.875 0.247 357 H ILE 51 H ILE 51 1.182 3.743 0.944 358 HA ILE 51 HA ILE 51 1.734 1.949 -1.263 359 HB ILE 51 HB ILE 51 3.381 2.579 1.190 360 HG12 ILE 51 1HG1 ILE 51 3.843 3.509 -1.643 361 HG13 ILE 51 2HG1 ILE 51 2.912 4.449 -0.483 362 HG21 ILE 51 1HG2 ILE 51 3.618 0.406 -0.484 363 HG22 ILE 51 2HG2 ILE 51 4.772 1.560 -1.151 364 HG23 ILE 51 3HG2 ILE 51 4.892 1.071 0.539 365 HD11 ILE 51 3HD1 ILE 51 5.543 3.576 0.467 366 HD12 ILE 51 1HD1 ILE 51 5.568 4.703 -0.889 367 HD13 ILE 51 2HD1 ILE 51 4.740 5.140 0.606 368 H ILE 52 H ILE 52 1.438 -0.183 -1.261 369 HA ILE 52 HA ILE 52 0.721 -1.477 1.285 370 HB ILE 52 HB ILE 52 0.043 -2.382 -1.516 371 HG12 ILE 52 1HG1 ILE 52 -1.912 -1.331 0.512 372 HG13 ILE 52 2HG1 ILE 52 -1.059 -0.235 -0.568 373 HG21 ILE 52 1HG2 ILE 52 -1.422 -3.405 0.830 374 HG22 ILE 52 2HG2 ILE 52 -0.916 -4.230 -0.643 375 HG23 ILE 52 3HG2 ILE 52 0.245 -3.954 0.655 376 HD11 ILE 52 3HD1 ILE 52 -3.295 -2.028 -1.091 377 HD12 ILE 52 1HD1 ILE 52 -2.784 -0.567 -1.936 378 HD13 ILE 52 2HD1 ILE 52 -2.013 -2.111 -2.300 379 H GLY 53 H GLY 53 2.527 -2.375 2.094 380 HA2 GLY 53 1HA GLY 53 4.319 -3.823 0.265 381 HA3 GLY 53 2HA GLY 53 4.735 -3.275 1.882 382 H TYR 54 H TYR 54 3.319 -5.791 -0.015 383 HA TYR 54 HA TYR 54 2.894 -7.386 2.426 384 HB2 TYR 54 1HB TYR 54 1.320 -8.741 1.120 385 HB3 TYR 54 2HB TYR 54 0.842 -7.047 1.127 386 HD1 TYR 54 1HD TYR 54 1.630 -5.635 -0.922 387 HD2 TYR 54 2HD TYR 54 1.432 -9.885 -0.895 388 HE1 TYR 54 1HE TYR 54 1.558 -5.642 -3.381 389 HE2 TYR 54 2HE TYR 54 1.361 -9.904 -3.353 390 HH TYR 54 HH TYR 54 0.852 -7.066 -5.198 391 H GLY 55 H GLY 55 3.389 -9.690 2.263 392 HA2 GLY 55 1HA GLY 55 4.755 -10.933 0.201 393 HA3 GLY 55 2HA GLY 55 5.978 -10.117 1.163 394 H VAL 56 H VAL 56 5.675 -12.955 0.755 395 HA VAL 56 HA VAL 56 4.475 -14.198 2.994 396 HB VAL 56 HB VAL 56 6.661 -15.166 1.150 397 HG11 VAL 56 1HG1 VAL 56 6.415 -17.342 2.057 398 HG12 VAL 56 2HG1 VAL 56 6.642 -16.253 3.427 399 HG13 VAL 56 3HG1 VAL 56 5.031 -16.854 3.034 400 HG21 VAL 56 3HG2 VAL 56 3.767 -15.019 0.981 401 HG22 VAL 56 1HG2 VAL 56 4.957 -15.361 -0.275 402 HG23 VAL 56 2HG2 VAL 56 4.367 -16.662 0.759 403 H GLY 57 H GLY 57 5.077 -13.996 5.044 404 HA2 GLY 57 1HA GLY 57 6.460 -14.131 6.897 405 HA3 GLY 57 2HA GLY 57 7.822 -14.399 5.819 406 H SER 58 H SER 58 7.557 -12.069 4.241 407 HA SER 58 HA SER 58 7.934 -9.905 6.195 408 HB2 SER 58 1HB SER 58 9.764 -10.165 3.824 409 HB3 SER 58 2HB SER 58 10.006 -9.257 5.317 410 HG SER 58 HG SER 58 11.253 -11.153 5.314 411 HA PRO 59 HA PRO 59 5.234 -7.789 3.398 412 HB2 PRO 59 1HB PRO 59 5.482 -5.319 4.497 413 HB3 PRO 59 2HB PRO 59 4.525 -6.608 5.237 414 HG2 PRO 59 1HG PRO 59 7.302 -5.699 5.888 415 HG3 PRO 59 2HG PRO 59 5.978 -6.127 6.987 416 HD2 PRO 59 1HD PRO 59 8.006 -7.829 6.417 417 HD3 PRO 59 2HD PRO 59 6.358 -8.390 6.767 418 H TYR 60 H TYR 60 8.377 -7.934 3.100 419 HA TYR 60 HA TYR 60 8.628 -5.575 1.356 420 HB2 TYR 60 1HB TYR 60 10.957 -7.225 2.298 421 HB3 TYR 60 2HB TYR 60 10.941 -5.555 1.742 422 HD1 TYR 60 1HD TYR 60 9.240 -4.044 3.275 423 HD2 TYR 60 2HD TYR 60 11.386 -7.494 4.539 424 HE1 TYR 60 1HE TYR 60 9.107 -3.266 5.604 425 HE2 TYR 60 2HE TYR 60 11.257 -6.726 6.872 426 HH TYR 60 HH TYR 60 9.201 -4.249 7.882 427 H ALA 61 H ALA 61 7.495 -8.383 0.890 428 HA ALA 61 HA ALA 61 9.287 -9.431 -1.142 429 HB1 ALA 61 3HB ALA 61 8.025 -11.349 -1.121 430 HB2 ALA 61 1HB ALA 61 7.766 -10.763 0.522 431 HB3 ALA 61 2HB ALA 61 6.536 -10.496 -0.713 432 H GLU 62 H GLU 62 6.265 -7.665 -0.915 433 HA GLU 62 HA GLU 62 6.460 -7.007 -3.742 434 HB2 GLU 62 1HB GLU 62 4.118 -8.448 -2.515 435 HB3 GLU 62 2HB GLU 62 3.944 -7.468 -3.964 436 HG2 GLU 62 1HG GLU 62 5.865 -9.768 -3.708 437 HG3 GLU 62 2HG GLU 62 4.242 -9.899 -4.385 438 H THR 63 H THR 63 6.190 -4.894 -3.953 439 HA THR 63 HA THR 63 4.646 -3.462 -1.893 440 HB THR 63 HB THR 63 6.046 -1.485 -3.115 441 HG1 THR 63 1HG THR 63 8.275 -2.611 -3.068 442 HG21 THR 63 3HG2 THR 63 6.168 -1.453 -0.829 443 HG22 THR 63 1HG2 THR 63 7.790 -2.037 -1.196 444 HG23 THR 63 2HG2 THR 63 6.531 -3.175 -0.714 445 H VAL 64 H VAL 64 2.937 -2.251 -2.472 446 HA VAL 64 HA VAL 64 2.578 -1.440 -5.245 447 HB VAL 64 HB VAL 64 0.714 -3.321 -3.816 448 HG11 VAL 64 1HG1 VAL 64 -0.840 -1.771 -4.538 449 HG12 VAL 64 2HG1 VAL 64 0.107 -1.328 -5.960 450 HG13 VAL 64 3HG1 VAL 64 -0.751 -2.868 -5.915 451 HG21 VAL 64 3HG2 VAL 64 2.094 -4.619 -5.106 452 HG22 VAL 64 1HG2 VAL 64 0.820 -4.265 -6.272 453 HG23 VAL 64 2HG2 VAL 64 2.332 -3.359 -6.316 454 H ARG 65 H ARG 65 2.255 0.674 -5.031 455 HA ARG 65 HA ARG 65 0.627 1.648 -2.788 456 HB2 ARG 65 1HB ARG 65 1.894 3.529 -2.743 457 HB3 ARG 65 2HB ARG 65 3.068 2.489 -3.539 458 HG2 ARG 65 1HG ARG 65 2.107 3.330 -5.732 459 HG3 ARG 65 2HG ARG 65 1.278 4.557 -4.772 460 HD2 ARG 65 1HD ARG 65 3.321 5.488 -4.027 461 HD3 ARG 65 2HD ARG 65 4.247 4.107 -4.614 462 HE ARG 65 HE ARG 65 3.142 5.081 -6.870 463 HH11 ARG 65 1HH1 ARG 65 4.942 6.565 -4.286 464 HH12 ARG 65 2HH1 ARG 65 5.637 7.789 -5.297 465 HH21 ARG 65 1HH2 ARG 65 4.050 6.687 -8.212 466 HH22 ARG 65 2HH2 ARG 65 5.128 7.858 -7.530 467 H VAL 66 H VAL 66 -1.346 2.434 -3.134 468 HA VAL 66 HA VAL 66 -2.235 2.788 -5.907 469 HB VAL 66 HB VAL 66 -4.531 2.730 -4.960 470 HG11 VAL 66 1HG1 VAL 66 -4.364 0.282 -4.184 471 HG12 VAL 66 2HG1 VAL 66 -3.819 0.681 -5.814 472 HG13 VAL 66 3HG1 VAL 66 -2.641 0.444 -4.523 473 HG21 VAL 66 3HG2 VAL 66 -4.213 1.565 -2.481 474 HG22 VAL 66 1HG2 VAL 66 -3.031 2.873 -2.473 475 HG23 VAL 66 2HG2 VAL 66 -4.730 3.222 -2.790 476 H ASP 67 H ASP 67 -4.317 4.430 -5.755 477 HA ASP 67 HA ASP 67 -3.075 6.996 -5.259 478 HB2 ASP 67 1HB ASP 67 -5.878 6.487 -6.262 479 HB3 ASP 67 2HB ASP 67 -4.909 7.945 -6.463 480 H SER 68 H SER 68 -4.773 8.731 -4.413 481 HA SER 68 HA SER 68 -5.310 7.959 -1.684 482 HB2 SER 68 1HB SER 68 -5.483 10.231 -1.214 483 HB3 SER 68 2HB SER 68 -4.376 10.233 -2.587 484 HG SER 68 HG SER 68 -7.170 10.731 -2.645 485 H LYS 69 H LYS 69 -6.916 6.725 -3.784 486 HA LYS 69 HA LYS 69 -9.572 7.620 -2.878 487 HB2 LYS 69 1HB LYS 69 -9.129 6.387 -5.583 488 HB3 LYS 69 2HB LYS 69 -10.500 7.332 -5.016 489 HG2 LYS 69 1HG LYS 69 -7.901 8.720 -5.044 490 HG3 LYS 69 2HG LYS 69 -8.581 8.301 -6.618 491 HD2 LYS 69 1HD LYS 69 -9.573 10.334 -6.316 492 HD3 LYS 69 2HD LYS 69 -10.774 9.312 -5.523 493 HE2 LYS 69 1HE LYS 69 -9.603 9.752 -3.361 494 HE3 LYS 69 2HE LYS 69 -8.579 10.908 -4.210 495 HZ1 LYS 69 3HZ LYS 69 -10.639 12.102 -4.847 496 HZ2 LYS 69 1HZ LYS 69 -10.355 12.087 -3.179 497 HZ3 LYS 69 2HZ LYS 69 -11.520 11.059 -3.847 498 H GLN 70 H GLN 70 -7.595 4.932 -4.040 499 HA GLN 70 HA GLN 70 -9.472 2.882 -3.680 500 HB2 GLN 70 1HB GLN 70 -6.522 2.501 -3.242 501 HB3 GLN 70 2HB GLN 70 -7.683 1.371 -3.924 502 HG2 GLN 70 1HG GLN 70 -6.564 3.847 -5.206 503 HG3 GLN 70 2HG GLN 70 -6.313 2.171 -5.690 504 HE21 GLN 70 1HE2 GLN 70 -8.892 4.551 -5.211 505 HE22 GLN 70 2HE2 GLN 70 -9.862 4.025 -6.540 506 H ARG 71 H ARG 71 -10.516 2.472 -1.848 507 HA ARG 71 HA ARG 71 -9.211 2.923 0.718 508 HB2 ARG 71 1HB ARG 71 -11.395 3.789 0.692 509 HB3 ARG 71 2HB ARG 71 -12.043 2.371 -0.121 510 HG2 ARG 71 1HG ARG 71 -12.134 1.133 1.811 511 HG3 ARG 71 2HG ARG 71 -10.868 2.076 2.600 512 HD2 ARG 71 1HD ARG 71 -12.346 3.891 2.991 513 HD3 ARG 71 2HD ARG 71 -13.576 3.204 1.931 514 HE ARG 71 HE ARG 71 -13.028 2.472 4.676 515 HH11 ARG 71 1HH1 ARG 71 -14.569 1.603 1.678 516 HH12 ARG 71 2HH1 ARG 71 -15.699 0.520 2.422 517 HH21 ARG 71 1HH2 ARG 71 -14.510 1.049 5.667 518 HH22 ARG 71 2HH2 ARG 71 -15.665 0.207 4.691 519 H TYR 72 H TYR 72 -9.177 0.494 -1.406 520 HA TYR 72 HA TYR 72 -8.384 -1.447 0.524 521 HB2 TYR 72 1HB TYR 72 -10.113 -2.973 0.471 522 HB3 TYR 72 2HB TYR 72 -11.016 -1.464 0.387 523 HD1 TYR 72 1HD TYR 72 -11.996 -0.727 -1.759 524 HD2 TYR 72 2HD TYR 72 -10.086 -4.508 -1.365 525 HE1 TYR 72 1HE TYR 72 -13.059 -1.475 -3.847 526 HE2 TYR 72 2HE TYR 72 -11.142 -5.266 -3.452 527 HH TYR 72 HH TYR 72 -12.136 -3.748 -5.669 528 H TYR 73 H TYR 73 -7.310 -3.207 -0.401 529 HA TYR 73 HA TYR 73 -7.086 -3.205 -3.332 530 HB2 TYR 73 1HB TYR 73 -5.172 -1.967 -2.340 531 HB3 TYR 73 2HB TYR 73 -4.742 -3.410 -1.429 532 HD1 TYR 73 2HD TYR 73 -4.084 -5.492 -2.709 533 HD2 TYR 73 1HD TYR 73 -4.455 -1.682 -4.565 534 HE1 TYR 73 2HE TYR 73 -2.727 -6.288 -4.601 535 HE2 TYR 73 1HE TYR 73 -3.101 -2.467 -6.462 536 HH TYR 73 HH TYR 73 -1.846 -4.124 -7.268 537 H SER 74 H SER 74 -7.380 -5.155 -4.172 538 HA SER 74 HA SER 74 -7.405 -7.472 -2.402 539 HB2 SER 74 1HB SER 74 -8.128 -7.582 -5.313 540 HB3 SER 74 2HB SER 74 -8.769 -8.529 -3.970 541 HG SER 74 HG SER 74 -10.174 -7.005 -3.563 542 H ILE 75 H ILE 75 -5.392 -8.241 -2.095 543 HA ILE 75 HA ILE 75 -3.415 -8.289 -4.172 544 HB ILE 75 HB ILE 75 -3.366 -9.715 -1.511 545 HG12 ILE 75 1HG1 ILE 75 -2.141 -7.040 -2.193 546 HG13 ILE 75 2HG1 ILE 75 -3.709 -7.208 -1.410 547 HG21 ILE 75 1HG2 ILE 75 -1.737 -10.587 -3.077 548 HG22 ILE 75 2HG2 ILE 75 -1.160 -8.958 -3.420 549 HG23 ILE 75 3HG2 ILE 75 -0.925 -9.657 -1.818 550 HD11 ILE 75 3HD1 ILE 75 -2.771 -8.066 0.541 551 HD12 ILE 75 1HD1 ILE 75 -1.245 -8.454 -0.254 552 HD13 ILE 75 2HD1 ILE 75 -1.673 -6.772 0.059 553 H GLU 76 H GLU 76 -3.257 -9.749 -5.729 554 HA GLU 76 HA GLU 76 -4.354 -12.443 -5.249 555 HB2 GLU 76 1HB GLU 76 -4.194 -10.990 -7.895 556 HB3 GLU 76 2HB GLU 76 -4.899 -12.576 -7.616 557 HG2 GLU 76 1HG GLU 76 -6.380 -11.206 -5.902 558 HG3 GLU 76 2HG GLU 76 -5.968 -9.885 -6.994 559 H ARG 77 H ARG 77 -3.394 -13.998 -7.041 560 HA ARG 77 HA ARG 77 -1.586 -15.120 -7.851 561 HB2 ARG 77 1HB ARG 77 -0.041 -12.539 -7.607 562 HB3 ARG 77 2HB ARG 77 0.316 -13.908 -8.652 563 HG2 ARG 77 1HG ARG 77 -2.194 -12.281 -8.913 564 HG3 ARG 77 2HG ARG 77 -0.697 -11.883 -9.759 565 HD2 ARG 77 1HD ARG 77 -2.099 -14.544 -9.951 566 HD3 ARG 77 2HD ARG 77 -2.318 -13.225 -11.101 567 HE ARG 77 HE ARG 77 0.424 -14.020 -10.713 568 HH11 ARG 77 1HH1 ARG 77 -2.507 -14.553 -12.514 569 HH12 ARG 77 2HH1 ARG 77 -1.696 -15.247 -13.879 570 HH21 ARG 77 1HH2 ARG 77 1.503 -14.932 -12.504 571 HH22 ARG 77 2HH2 ARG 77 0.584 -15.463 -13.872 572 H LEU 78 H LEU 78 -2.109 -15.405 -5.201 573 HA LEU 78 HA LEU 78 0.577 -15.475 -3.989 574 HB2 LEU 78 1HB LEU 78 -2.003 -15.378 -2.449 575 HB3 LEU 78 2HB LEU 78 -0.365 -15.142 -1.843 576 HG LEU 78 HG LEU 78 -1.766 -13.243 -3.721 577 HD11 LEU 78 1HD1 LEU 78 -2.250 -13.672 -0.979 578 HD12 LEU 78 2HD1 LEU 78 -2.838 -12.359 -1.997 579 HD13 LEU 78 3HD1 LEU 78 -1.324 -12.177 -1.112 580 HD21 LEU 78 3HD2 LEU 78 0.919 -13.395 -2.505 581 HD22 LEU 78 1HD2 LEU 78 0.138 -11.813 -2.481 582 HD23 LEU 78 2HD2 LEU 78 0.393 -12.647 -4.014 583 H GLU 79 H GLU 79 0.831 -17.226 -2.342 584 HA GLU 79 HA GLU 79 -0.197 -19.708 -3.449 585 HB2 GLU 79 1HB GLU 79 1.400 -20.702 -1.698 586 HB3 GLU 79 2HB GLU 79 2.107 -19.831 -3.051 587 HG2 GLU 79 1HG GLU 79 1.527 -18.295 -0.587 588 HG3 GLU 79 2HG GLU 79 2.871 -19.434 -0.549 589 H SER 80 H SER 80 -0.498 -21.472 -1.592 590 HA SER 80 HA SER 80 -2.524 -20.358 0.234 591 HB2 SER 80 1HB SER 80 -3.746 -22.388 0.058 592 HB3 SER 80 2HB SER 80 -3.261 -21.985 -1.589 593 HG SER 80 HG SER 80 -2.913 -24.243 -0.694 594 H SER 81 H SER 81 -2.631 -21.106 2.364 595 HA SER 81 HA SER 81 -1.816 -21.799 4.371 596 HB2 SER 81 1HB SER 81 -0.808 -23.870 2.486 597 HB3 SER 81 2HB SER 81 -0.091 -23.827 4.097 598 HG SER 81 HG SER 81 -2.476 -23.715 4.737 599 H SER 82 H SER 82 -0.679 -19.558 3.635 600 HA SER 82 HA SER 82 2.029 -19.801 4.651 601 HB2 SER 82 1HB SER 82 1.875 -19.839 1.987 602 HB3 SER 82 2HB SER 82 1.780 -18.093 2.221 603 HG SER 82 HG SER 82 3.725 -18.303 3.495 604 H HIS 83 H HIS 83 2.795 -17.930 5.630 605 HA HIS 83 HA HIS 83 0.746 -16.046 6.400 606 HB2 HIS 83 1HB HIS 83 2.299 -16.896 8.085 607 HB3 HIS 83 2HB HIS 83 3.662 -16.236 7.187 608 HD1 HIS 83 1HD HIS 83 4.352 -14.736 9.172 609 HD2 HIS 83 2HD HIS 83 0.531 -13.982 7.724 610 HE1 HIS 83 1HE HIS 83 3.658 -12.553 10.210 611 HE2 HIS 83 2HE HIS 83 1.310 -12.160 9.386 612 H TYR 84 H TYR 84 0.444 -14.063 5.609 613 HA TYR 84 HA TYR 84 2.535 -12.932 3.866 614 HB2 TYR 84 1HB TYR 84 -0.386 -13.253 3.450 615 HB3 TYR 84 2HB TYR 84 0.330 -11.746 2.890 616 HD1 TYR 84 1HD TYR 84 0.524 -15.433 2.568 617 HD2 TYR 84 2HD TYR 84 1.589 -11.669 0.896 618 HE1 TYR 84 1HE TYR 84 1.289 -16.565 0.523 619 HE2 TYR 84 2HE TYR 84 2.357 -12.790 -1.154 620 HH TYR 84 HH TYR 84 1.564 -15.463 -2.197 621 H VAL 85 H VAL 85 3.469 -11.433 5.135 622 HA VAL 85 HA VAL 85 2.002 -9.841 7.012 623 HB VAL 85 HB VAL 85 4.796 -9.305 6.011 624 HG11 VAL 85 1HG1 VAL 85 3.295 -8.589 8.521 625 HG12 VAL 85 2HG1 VAL 85 5.044 -8.423 8.356 626 HG13 VAL 85 3HG1 VAL 85 3.966 -7.497 7.310 627 HG21 VAL 85 3HG2 VAL 85 4.650 -11.640 6.695 628 HG22 VAL 85 1HG2 VAL 85 5.594 -10.707 7.857 629 HG23 VAL 85 2HG2 VAL 85 3.930 -11.158 8.231 630 H ILE 86 H ILE 86 0.713 -8.233 6.421 631 HA ILE 86 HA ILE 86 1.340 -6.713 3.988 632 HB ILE 86 HB ILE 86 -1.235 -6.640 5.556 633 HG12 ILE 86 1HG1 ILE 86 -0.945 -8.146 2.987 634 HG13 ILE 86 2HG1 ILE 86 -0.432 -8.913 4.486 635 HG21 ILE 86 1HG2 ILE 86 -0.225 -5.363 3.113 636 HG22 ILE 86 2HG2 ILE 86 -1.842 -6.051 2.980 637 HG23 ILE 86 3HG2 ILE 86 -1.496 -4.849 4.223 638 HD11 ILE 86 3HD1 ILE 86 -2.944 -7.869 5.046 639 HD12 ILE 86 1HD1 ILE 86 -3.078 -8.542 3.422 640 HD13 ILE 86 2HD1 ILE 86 -2.530 -9.558 4.756 641 H SER 87 H SER 87 1.992 -4.662 4.087 642 HA SER 87 HA SER 87 1.608 -3.182 6.603 643 HB2 SER 87 1HB SER 87 3.835 -2.345 6.548 644 HB3 SER 87 2HB SER 87 3.970 -4.082 6.274 645 HG SER 87 HG SER 87 5.237 -2.846 4.804 646 H LEU 88 H LEU 88 0.108 -1.723 6.030 647 HA LEU 88 HA LEU 88 0.387 -0.317 3.474 648 HB2 LEU 88 1HB LEU 88 -1.788 -1.114 3.683 649 HB3 LEU 88 2HB LEU 88 -1.870 -0.715 5.398 650 HG LEU 88 HG LEU 88 -1.746 1.749 4.540 651 HD11 LEU 88 1HD1 LEU 88 -3.080 1.840 2.342 652 HD12 LEU 88 2HD1 LEU 88 -2.492 0.197 2.090 653 HD13 LEU 88 3HD1 LEU 88 -1.346 1.526 2.261 654 HD21 LEU 88 3HD2 LEU 88 -3.645 0.606 5.700 655 HD22 LEU 88 1HD2 LEU 88 -4.271 0.162 4.111 656 HD23 LEU 88 2HD2 LEU 88 -4.129 1.863 4.559 657 H LYS 89 H LYS 89 0.811 1.821 3.335 658 HA LYS 89 HA LYS 89 0.743 3.471 5.740 659 HB2 LYS 89 1HB LYS 89 2.997 4.168 5.623 660 HB3 LYS 89 2HB LYS 89 3.045 2.415 5.491 661 HG2 LYS 89 1HG LYS 89 3.481 2.505 3.172 662 HG3 LYS 89 2HG LYS 89 3.092 4.225 3.094 663 HD2 LYS 89 1HD LYS 89 5.362 4.386 3.146 664 HD3 LYS 89 2HD LYS 89 5.059 4.343 4.885 665 HE2 LYS 89 1HE LYS 89 6.682 2.739 4.719 666 HE3 LYS 89 2HE LYS 89 5.243 1.743 4.512 667 HZ1 LYS 89 3HZ LYS 89 7.331 2.382 2.620 668 HZ2 LYS 89 1HZ LYS 89 5.764 2.487 1.990 669 HZ3 LYS 89 2HZ LYS 89 6.301 1.042 2.685 670 H ALA 90 H ALA 90 0.595 5.693 5.335 671 HA ALA 90 HA ALA 90 -0.455 6.347 2.717 672 HB1 ALA 90 3HB ALA 90 -1.557 7.108 4.806 673 HB2 ALA 90 1HB ALA 90 -0.159 8.136 5.125 674 HB3 ALA 90 2HB ALA 90 -1.160 8.423 3.700 675 H PHE 91 H PHE 91 0.319 8.002 1.369 676 HA PHE 91 HA PHE 91 2.976 9.078 1.961 677 HB2 PHE 91 1HB PHE 91 3.914 8.393 -0.119 678 HB3 PHE 91 2HB PHE 91 3.180 6.959 0.591 679 HD1 PHE 91 1HD PHE 91 2.743 9.583 -1.967 680 HD2 PHE 91 2HD PHE 91 1.444 5.802 -0.506 681 HE1 PHE 91 1HE PHE 91 1.436 9.242 -4.023 682 HE2 PHE 91 2HE PHE 91 0.136 5.454 -2.560 683 HZ PHE 91 HZ PHE 91 0.132 7.174 -4.323 684 H ASN 92 H ASN 92 3.592 10.845 0.484 685 HA ASN 92 HA ASN 92 1.651 12.040 -1.225 686 HB2 ASN 92 1HB ASN 92 1.039 13.955 0.059 687 HB3 ASN 92 2HB ASN 92 0.745 12.553 1.083 688 HD21 ASN 92 1HD2 ASN 92 0.868 14.783 2.403 689 HD22 ASN 92 2HD2 ASN 92 2.377 14.994 3.219 690 H ASN 93 H ASN 93 2.401 14.577 -1.412 691 HA ASN 93 HA ASN 93 4.809 14.545 -2.766 692 HB2 ASN 93 1HB ASN 93 3.104 16.711 -1.618 693 HB3 ASN 93 2HB ASN 93 4.713 17.134 -2.195 694 HD21 ASN 93 1HD2 ASN 93 1.545 16.845 -3.046 695 HD22 ASN 93 2HD2 ASN 93 1.719 16.741 -4.761 696 H ALA 94 H ALA 94 4.216 14.834 0.627 697 HA ALA 94 HA ALA 94 6.822 15.894 1.264 698 HB1 ALA 94 3HB ALA 94 5.881 14.968 3.628 699 HB2 ALA 94 1HB ALA 94 5.500 16.554 2.957 700 HB3 ALA 94 2HB ALA 94 4.376 15.211 2.741 701 H GLY 95 H GLY 95 5.328 12.759 0.971 702 HA2 GLY 95 1HA GLY 95 7.184 11.061 0.467 703 HA3 GLY 95 2HA GLY 95 7.749 11.491 2.075 704 H GLU 96 H GLU 96 7.440 9.639 3.182 705 HA GLU 96 HA GLU 96 4.733 8.476 3.141 706 HB2 GLU 96 1HB GLU 96 7.308 7.117 3.952 707 HB3 GLU 96 2HB GLU 96 5.726 6.366 3.809 708 HG2 GLU 96 1HG GLU 96 5.726 6.678 1.432 709 HG3 GLU 96 2HG GLU 96 7.222 7.608 1.515 710 H GLY 97 H GLY 97 3.771 7.858 5.109 711 HA2 GLY 97 1HA GLY 97 4.939 9.206 7.464 712 HA3 GLY 97 2HA GLY 97 3.212 9.056 7.171 713 H VAL 98 H VAL 98 3.778 8.280 9.550 714 HA VAL 98 HA VAL 98 4.883 5.973 10.319 715 HB VAL 98 HB VAL 98 3.649 7.197 11.934 716 HG11 VAL 98 1HG1 VAL 98 1.473 6.948 9.973 717 HG12 VAL 98 2HG1 VAL 98 0.983 6.821 11.663 718 HG13 VAL 98 3HG1 VAL 98 1.845 8.253 11.099 719 HG21 VAL 98 3HG2 VAL 98 3.795 4.887 12.508 720 HG22 VAL 98 1HG2 VAL 98 2.174 5.434 12.935 721 HG23 VAL 98 2HG2 VAL 98 2.427 4.482 11.472 722 HA PRO 99 HA PRO 99 3.046 3.097 7.365 723 HB2 PRO 99 1HB PRO 99 4.852 1.125 7.835 724 HB3 PRO 99 2HB PRO 99 5.187 2.501 6.778 725 HG2 PRO 99 1HG PRO 99 5.986 2.064 9.630 726 HG3 PRO 99 2HG PRO 99 6.945 2.710 8.285 727 HD2 PRO 99 1HD PRO 99 5.799 4.300 10.153 728 HD3 PRO 99 2HD PRO 99 6.016 4.811 8.467 729 H LEU 100 H LEU 100 1.589 1.490 7.663 730 HA LEU 100 HA LEU 100 1.254 0.484 10.407 731 HB2 LEU 100 1HB LEU 100 -0.564 1.831 9.099 732 HB3 LEU 100 2HB LEU 100 -0.864 0.284 8.310 733 HG LEU 100 HG LEU 100 -1.033 -0.548 10.821 734 HD11 LEU 100 1HD1 LEU 100 -1.330 2.404 10.957 735 HD12 LEU 100 2HD1 LEU 100 -0.660 1.277 12.135 736 HD13 LEU 100 3HD1 LEU 100 -2.407 1.409 11.937 737 HD21 LEU 100 3HD2 LEU 100 -3.485 0.858 10.134 738 HD22 LEU 100 1HD2 LEU 100 -3.170 -0.872 10.273 739 HD23 LEU 100 2HD2 LEU 100 -2.798 -0.026 8.771 740 H TYR 101 H TYR 101 1.665 -1.585 10.789 741 HA TYR 101 HA TYR 101 2.038 -3.393 8.520 742 HB2 TYR 101 1HB TYR 101 2.961 -3.414 11.377 743 HB3 TYR 101 2HB TYR 101 2.970 -4.897 10.429 744 HD1 TYR 101 1HD TYR 101 4.239 -1.399 10.434 745 HD2 TYR 101 2HD TYR 101 4.759 -5.372 9.002 746 HE1 TYR 101 1HE TYR 101 6.412 -0.762 9.473 747 HE2 TYR 101 2HE TYR 101 6.934 -4.746 8.038 748 HH TYR 101 HH TYR 101 7.960 -1.480 7.784 749 H GLU 102 H GLU 102 1.322 -5.674 8.806 750 HA GLU 102 HA GLU 102 -0.838 -6.221 10.612 751 HB2 GLU 102 1HB GLU 102 -1.699 -4.821 8.522 752 HB3 GLU 102 2HB GLU 102 -1.678 -6.405 7.759 753 HG2 GLU 102 1HG GLU 102 -3.856 -5.638 8.821 754 HG3 GLU 102 2HG GLU 102 -3.288 -7.261 9.209 755 H SER 103 H SER 103 -1.930 -8.390 9.894 756 HA SER 103 HA SER 103 0.062 -10.146 8.639 757 HB2 SER 103 1HB SER 103 -0.329 -11.841 10.404 758 HB3 SER 103 2HB SER 103 0.380 -10.361 11.050 759 HG SER 103 HG SER 103 -1.269 -10.305 12.335 760 H ALA 104 H ALA 104 -0.762 -11.949 7.582 761 HA ALA 104 HA ALA 104 -3.535 -12.651 7.697 762 HB1 ALA 104 3HB ALA 104 -2.670 -11.551 5.047 763 HB2 ALA 104 1HB ALA 104 -4.299 -11.898 5.628 764 HB3 ALA 104 2HB ALA 104 -3.407 -10.519 6.272 765 H THR 105 H THR 105 -3.370 -14.789 7.628 766 HA THR 105 HA THR 105 -1.331 -16.021 5.918 767 HB THR 105 HB THR 105 -3.019 -17.381 8.022 768 HG1 THR 105 1HG THR 105 -0.558 -15.997 8.195 769 HG21 THR 105 3HG2 THR 105 -1.992 -18.851 6.329 770 HG22 THR 105 1HG2 THR 105 -1.307 -19.107 7.933 771 HG23 THR 105 2HG2 THR 105 -0.410 -18.183 6.728 772 H THR 106 H THR 106 -2.018 -16.510 3.940 773 HA THR 106 HA THR 106 -4.546 -16.629 2.947 774 HB THR 106 HB THR 106 -3.616 -18.345 1.265 775 HG1 THR 106 1HG THR 106 -1.793 -19.221 1.868 776 HG21 THR 106 3HG2 THR 106 -2.541 -15.596 1.762 777 HG22 THR 106 1HG2 THR 106 -3.639 -16.156 0.501 778 HG23 THR 106 2HG2 THR 106 -1.923 -16.555 0.417 779 H ARG 107 H ARG 107 -5.691 -18.631 2.065 780 HA ARG 107 HA ARG 107 -6.159 -20.427 4.313 781 HB2 ARG 107 1HB ARG 107 -7.695 -20.329 1.720 782 HB3 ARG 107 2HB ARG 107 -8.219 -20.993 3.262 783 HG2 ARG 107 1HG ARG 107 -7.682 -18.075 2.751 784 HG3 ARG 107 2HG ARG 107 -9.276 -18.833 2.706 785 HD2 ARG 107 1HD ARG 107 -7.505 -19.051 5.118 786 HD3 ARG 107 2HD ARG 107 -8.547 -17.650 4.869 787 HE ARG 107 HE ARG 107 -9.360 -20.312 5.613 788 HH11 ARG 107 1HH1 ARG 107 -10.348 -17.279 4.217 789 HH12 ARG 107 2HH1 ARG 107 -12.026 -17.508 4.584 790 HH21 ARG 107 1HH2 ARG 107 -11.566 -20.624 6.101 791 HH22 ARG 107 2HH2 ARG 107 -12.717 -19.411 5.656 792 H SER 108 H SER 108 -6.877 -22.744 3.501 793 HA SER 108 HA SER 108 -4.755 -23.734 1.710 794 HB2 SER 108 1HB SER 108 -4.628 -25.757 3.079 795 HB3 SER 108 2HB SER 108 -4.332 -24.331 4.072 796 HG SER 108 HG SER 108 -6.885 -24.671 4.216 797 H ILE 109 H ILE 109 -5.556 -24.538 -0.103 798 HA ILE 109 HA ILE 109 -8.248 -24.988 -0.636 799 HB ILE 109 HB ILE 109 -5.849 -26.206 -2.006 800 HG12 ILE 109 1HG1 ILE 109 -6.820 -24.293 -3.678 801 HG13 ILE 109 2HG1 ILE 109 -7.182 -23.573 -2.114 802 HG21 ILE 109 1HG2 ILE 109 -8.279 -25.801 -3.572 803 HG22 ILE 109 2HG2 ILE 109 -7.189 -27.185 -3.506 804 HG23 ILE 109 3HG2 ILE 109 -8.452 -26.999 -2.289 805 HD11 ILE 109 3HD1 ILE 109 -5.109 -22.752 -2.308 806 HD12 ILE 109 1HD1 ILE 109 -4.630 -24.343 -1.719 807 HD13 ILE 109 2HD1 ILE 109 -4.607 -23.999 -3.449 808 H THR 110 H THR 110 -9.596 -26.508 0.034 809 HA THR 110 HA THR 110 -8.500 -29.150 0.752 810 HB THR 110 HB THR 110 -10.398 -29.351 2.365 811 HG1 THR 110 1HG THR 110 -10.820 -26.701 1.479 812 HG21 THR 110 3HG2 THR 110 -8.024 -28.489 2.902 813 HG22 THR 110 1HG2 THR 110 -9.295 -28.240 4.097 814 HG23 THR 110 2HG2 THR 110 -8.794 -26.910 3.054 815 H SER 111 H SER 111 -8.918 -30.137 -1.209 816 HA SER 111 HA SER 111 -11.741 -30.248 -2.041 817 HB2 SER 111 1HB SER 111 -10.270 -29.348 -3.773 818 HB3 SER 111 2HB SER 111 -9.234 -30.771 -3.659 819 HG SER 111 HG SER 111 -10.968 -32.024 -4.406 820 H GLY 112 H GLY 112 -12.185 -31.875 -0.446 821 HA2 GLY 112 1HA GLY 112 -12.540 -34.053 0.187 822 HA3 GLY 112 2HA GLY 112 -12.079 -34.498 -1.450 823 HA PRO 113 HA PRO 113 -8.121 -34.545 1.385 824 HB2 PRO 113 1HB PRO 113 -8.652 -34.895 4.025 825 HB3 PRO 113 2HB PRO 113 -8.474 -33.300 3.284 826 HG2 PRO 113 1HG PRO 113 -10.971 -34.805 3.964 827 HG3 PRO 113 2HG PRO 113 -10.601 -33.087 4.200 828 HD2 PRO 113 1HD PRO 113 -12.110 -33.983 2.138 829 HD3 PRO 113 2HD PRO 113 -11.060 -32.558 2.004 830 H SER 114 H SER 114 -10.986 -36.374 2.386 831 HA SER 114 HA SER 114 -9.410 -38.771 2.840 832 HB2 SER 114 1HB SER 114 -12.342 -38.127 3.140 833 HB3 SER 114 2HB SER 114 -11.718 -39.767 3.319 834 HG SER 114 HG SER 114 -11.777 -38.782 5.332 835 H SER 115 H SER 115 -11.897 -37.615 0.598 836 HA SER 115 HA SER 115 -11.500 -40.005 -1.055 837 HB2 SER 115 1HB SER 115 -13.613 -37.846 -1.264 838 HB3 SER 115 2HB SER 115 -13.546 -39.325 -2.222 839 HG SER 115 HG SER 115 -13.636 -39.375 0.602 840 H GLY 116 H GLY 116 -11.743 -39.482 -3.510 841 HA2 GLY 116 1HA GLY 116 -10.600 -36.973 -4.358 842 HA3 GLY 116 2HA GLY 116 -9.483 -38.325 -4.471 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.615 6.308 -0.752 2 HA2 GLY 1 1HA GLY 1 -11.573 8.354 -1.011 3 HA3 GLY 1 2HA GLY 1 -12.302 8.263 -2.607 4 H SER 2 H SER 2 -11.793 10.454 -0.491 5 HA SER 2 HA SER 2 -14.397 11.422 0.190 6 HB2 SER 2 1HB SER 2 -13.210 13.441 0.950 7 HB3 SER 2 2HB SER 2 -12.430 11.978 1.554 8 HG SER 2 HG SER 2 -11.591 13.251 -0.826 9 H SER 3 H SER 3 -15.734 11.953 -1.427 10 HA SER 3 HA SER 3 -14.755 13.886 -3.420 11 HB2 SER 3 1HB SER 3 -15.975 12.816 -5.167 12 HB3 SER 3 2HB SER 3 -15.091 11.537 -4.336 13 HG SER 3 HG SER 3 -17.838 12.188 -4.122 14 H GLY 4 H GLY 4 -15.792 15.752 -3.247 15 HA2 GLY 4 1HA GLY 4 -18.500 16.178 -3.406 16 HA3 GLY 4 2HA GLY 4 -18.178 16.015 -1.686 17 H SER 5 H SER 5 -18.413 18.040 -0.938 18 HA SER 5 HA SER 5 -17.981 20.427 -2.193 19 HB2 SER 5 1HB SER 5 -17.538 21.367 0.117 20 HB3 SER 5 2HB SER 5 -19.015 20.416 -0.036 21 HG SER 5 HG SER 5 -17.409 18.626 0.649 22 H SER 6 H SER 6 -15.599 18.742 -0.143 23 HA SER 6 HA SER 6 -13.490 20.430 -1.278 24 HB2 SER 6 1HB SER 6 -13.466 18.555 1.099 25 HB3 SER 6 2HB SER 6 -12.081 19.500 0.552 26 HG SER 6 HG SER 6 -13.806 21.305 0.766 27 H GLY 7 H GLY 7 -11.480 19.458 -1.978 28 HA2 GLY 7 1HA GLY 7 -11.390 16.624 -2.501 29 HA3 GLY 7 2HA GLY 7 -11.671 17.590 -3.942 30 HA PRO 8 HA PRO 8 -7.411 18.516 -4.381 31 HB2 PRO 8 1HB PRO 8 -7.302 21.203 -4.753 32 HB3 PRO 8 2HB PRO 8 -7.944 20.090 -5.967 33 HG2 PRO 8 1HG PRO 8 -9.414 21.783 -3.983 34 HG3 PRO 8 2HG PRO 8 -9.777 21.495 -5.695 35 HD2 PRO 8 1HD PRO 8 -11.078 20.215 -3.694 36 HD3 PRO 8 2HD PRO 8 -10.771 19.459 -5.271 37 H GLU 9 H GLU 9 -5.781 20.547 -3.697 38 HA GLU 9 HA GLU 9 -5.792 20.408 -0.770 39 HB2 GLU 9 1HB GLU 9 -3.392 21.145 -1.014 40 HB3 GLU 9 2HB GLU 9 -3.769 19.567 -1.690 41 HG2 GLU 9 1HG GLU 9 -3.897 20.565 -3.924 42 HG3 GLU 9 2HG GLU 9 -3.483 22.134 -3.236 43 H ASN 10 H ASN 10 -6.902 22.083 0.052 44 HA ASN 10 HA ASN 10 -6.240 24.779 -0.939 45 HB2 ASN 10 1HB ASN 10 -8.819 23.543 -0.117 46 HB3 ASN 10 2HB ASN 10 -8.565 25.235 0.302 47 HD21 ASN 10 1HD2 ASN 10 -8.875 22.938 -2.296 48 HD22 ASN 10 2HD2 ASN 10 -9.174 24.093 -3.546 49 H ASP 11 H ASP 11 -7.461 23.137 1.984 50 HA ASP 11 HA ASP 11 -5.690 24.872 3.575 51 HB2 ASP 11 1HB ASP 11 -8.317 25.216 3.648 52 HB3 ASP 11 2HB ASP 11 -8.234 23.851 4.758 53 H LEU 12 H LEU 12 -5.046 22.291 2.569 54 HA LEU 12 HA LEU 12 -5.191 20.581 4.949 55 HB2 LEU 12 1HB LEU 12 -4.216 19.847 2.197 56 HB3 LEU 12 2HB LEU 12 -4.583 18.751 3.528 57 HG LEU 12 HG LEU 12 -6.753 20.467 2.402 58 HD11 LEU 12 1HD1 LEU 12 -6.422 17.785 1.223 59 HD12 LEU 12 2HD1 LEU 12 -5.304 19.027 0.661 60 HD13 LEU 12 3HD1 LEU 12 -7.043 19.274 0.511 61 HD21 LEU 12 3HD2 LEU 12 -7.156 17.643 3.127 62 HD22 LEU 12 1HD2 LEU 12 -8.130 19.065 3.501 63 HD23 LEU 12 2HD2 LEU 12 -6.686 18.710 4.451 64 H ASP 13 H ASP 13 -3.147 19.181 5.237 65 HA ASP 13 HA ASP 13 -0.810 20.969 5.117 66 HB2 ASP 13 1HB ASP 13 -1.743 20.314 7.395 67 HB3 ASP 13 2HB ASP 13 -1.183 18.680 7.047 68 H GLU 14 H GLU 14 0.208 20.362 3.273 69 HA GLU 14 HA GLU 14 0.574 17.541 2.668 70 HB2 GLU 14 1HB GLU 14 0.074 19.491 0.991 71 HB3 GLU 14 2HB GLU 14 1.809 19.760 1.079 72 HG2 GLU 14 1HG GLU 14 2.298 17.667 0.156 73 HG3 GLU 14 2HG GLU 14 0.667 17.064 0.445 74 H SER 15 H SER 15 2.417 20.296 3.792 75 HA SER 15 HA SER 15 5.011 19.469 3.401 76 HB2 SER 15 1HB SER 15 4.021 21.615 4.553 77 HB3 SER 15 2HB SER 15 4.267 20.691 6.034 78 HG SER 15 HG SER 15 6.379 20.832 5.793 79 H GLN 16 H GLN 16 2.671 18.296 5.709 80 HA GLN 16 HA GLN 16 4.698 16.554 6.923 81 HB2 GLN 16 1HB GLN 16 3.279 16.314 8.790 82 HB3 GLN 16 2HB GLN 16 3.183 18.016 8.357 83 HG2 GLN 16 1HG GLN 16 1.039 17.786 7.456 84 HG3 GLN 16 2HG GLN 16 1.170 16.031 7.368 85 HE21 GLN 16 1HE2 GLN 16 -0.008 18.613 9.120 86 HE22 GLN 16 2HE2 GLN 16 -0.389 17.787 10.589 87 H VAL 17 H VAL 17 4.545 14.352 6.854 88 HA VAL 17 HA VAL 17 3.152 13.185 4.689 89 HB VAL 17 HB VAL 17 3.908 11.015 5.627 90 HG11 VAL 17 1HG1 VAL 17 5.547 11.740 4.244 91 HG12 VAL 17 2HG1 VAL 17 5.695 13.299 5.058 92 HG13 VAL 17 3HG1 VAL 17 6.446 11.863 5.756 93 HG21 VAL 17 3HG2 VAL 17 4.606 12.768 7.940 94 HG22 VAL 17 1HG2 VAL 17 3.869 11.166 7.924 95 HG23 VAL 17 2HG2 VAL 17 5.593 11.346 7.598 96 HA PRO 18 HA PRO 18 -0.777 12.218 6.404 97 HB2 PRO 18 1HB PRO 18 -1.382 9.977 4.996 98 HB3 PRO 18 2HB PRO 18 -1.399 11.594 4.282 99 HG2 PRO 18 1HG PRO 18 0.720 9.484 4.141 100 HG3 PRO 18 2HG PRO 18 0.102 10.536 2.855 101 HD2 PRO 18 1HD PRO 18 2.430 11.028 4.147 102 HD3 PRO 18 2HD PRO 18 1.389 12.326 3.529 103 H ASP 19 H ASP 19 -1.286 11.334 8.299 104 HA ASP 19 HA ASP 19 0.310 9.430 9.610 105 HB2 ASP 19 1HB ASP 19 -2.355 10.672 10.126 106 HB3 ASP 19 2HB ASP 19 -1.903 9.250 11.062 107 H GLN 20 H GLN 20 -0.676 7.363 10.565 108 HA GLN 20 HA GLN 20 -1.273 5.614 8.400 109 HB2 GLN 20 1HB GLN 20 -1.103 3.860 9.950 110 HB3 GLN 20 2HB GLN 20 0.016 5.078 10.548 111 HG2 GLN 20 1HG GLN 20 -1.978 5.850 12.000 112 HG3 GLN 20 2HG GLN 20 -2.639 4.256 11.639 113 HE21 GLN 20 1HE2 GLN 20 0.264 3.323 11.479 114 HE22 GLN 20 2HE2 GLN 20 0.696 3.058 13.130 115 HA PRO 21 HA PRO 21 -5.659 5.537 8.358 116 HB2 PRO 21 1HB PRO 21 -6.170 2.914 7.883 117 HB3 PRO 21 2HB PRO 21 -5.511 4.001 6.656 118 HG2 PRO 21 1HG PRO 21 -4.089 2.019 8.391 119 HG3 PRO 21 2HG PRO 21 -3.868 2.355 6.664 120 HD2 PRO 21 1HD PRO 21 -2.207 3.337 8.564 121 HD3 PRO 21 2HD PRO 21 -2.568 4.216 7.065 122 H SER 22 H SER 22 -7.026 5.714 10.009 123 HA SER 22 HA SER 22 -6.779 5.037 12.568 124 HB2 SER 22 1HB SER 22 -9.072 5.332 12.852 125 HB3 SER 22 2HB SER 22 -8.790 6.134 11.307 126 HG SER 22 HG SER 22 -10.574 4.425 11.615 127 H SER 23 H SER 23 -7.663 2.799 10.020 128 HA SER 23 HA SER 23 -6.899 0.555 11.632 129 HB2 SER 23 1HB SER 23 -9.780 0.649 10.721 130 HB3 SER 23 2HB SER 23 -9.006 -0.600 11.696 131 HG SER 23 HG SER 23 -10.284 0.959 12.894 132 H LEU 24 H LEU 24 -6.651 -1.363 10.423 133 HA LEU 24 HA LEU 24 -7.063 -1.100 7.524 134 HB2 LEU 24 1HB LEU 24 -4.802 -0.687 7.609 135 HB3 LEU 24 2HB LEU 24 -4.560 -1.719 9.017 136 HG LEU 24 HG LEU 24 -4.862 -3.701 7.547 137 HD11 LEU 24 1HD1 LEU 24 -4.514 -3.181 5.062 138 HD12 LEU 24 2HD1 LEU 24 -5.084 -1.561 5.460 139 HD13 LEU 24 3HD1 LEU 24 -6.127 -2.955 5.737 140 HD21 LEU 24 3HD2 LEU 24 -2.646 -1.987 7.801 141 HD22 LEU 24 1HD2 LEU 24 -2.682 -2.516 6.119 142 HD23 LEU 24 2HD2 LEU 24 -2.647 -3.709 7.417 143 H HIS 25 H HIS 25 -8.641 -2.560 7.208 144 HA HIS 25 HA HIS 25 -8.676 -5.081 8.618 145 HB2 HIS 25 1HB HIS 25 -10.769 -3.870 8.089 146 HB3 HIS 25 2HB HIS 25 -10.449 -4.096 6.372 147 HD1 HIS 25 1HD HIS 25 -12.494 -5.539 5.921 148 HD2 HIS 25 2HD HIS 25 -10.042 -7.053 8.913 149 HE1 HIS 25 1HE HIS 25 -13.338 -7.866 6.369 150 HE2 HIS 25 2HE HIS 25 -11.893 -8.731 8.242 151 H VAL 26 H VAL 26 -8.108 -7.049 7.854 152 HA VAL 26 HA VAL 26 -7.399 -7.337 5.030 153 HB VAL 26 HB VAL 26 -5.271 -8.420 5.555 154 HG11 VAL 26 1HG1 VAL 26 -4.632 -6.326 5.067 155 HG12 VAL 26 2HG1 VAL 26 -5.842 -5.605 6.130 156 HG13 VAL 26 3HG1 VAL 26 -4.317 -6.191 6.797 157 HG21 VAL 26 3HG2 VAL 26 -4.344 -8.111 7.882 158 HG22 VAL 26 1HG2 VAL 26 -5.983 -7.705 8.390 159 HG23 VAL 26 2HG2 VAL 26 -5.636 -9.302 7.727 160 H ARG 27 H ARG 27 -8.000 -9.248 4.208 161 HA ARG 27 HA ARG 27 -8.654 -11.422 6.086 162 HB2 ARG 27 1HB ARG 27 -10.260 -10.275 3.838 163 HB3 ARG 27 2HB ARG 27 -10.413 -11.987 4.210 164 HG2 ARG 27 1HG ARG 27 -10.915 -11.309 6.583 165 HG3 ARG 27 2HG ARG 27 -11.027 -9.650 5.993 166 HD2 ARG 27 1HD ARG 27 -12.580 -11.737 4.563 167 HD3 ARG 27 2HD ARG 27 -13.145 -11.245 6.159 168 HE ARG 27 HE ARG 27 -12.740 -8.894 4.857 169 HH11 ARG 27 1HH1 ARG 27 -14.561 -11.778 4.158 170 HH12 ARG 27 2HH1 ARG 27 -15.776 -10.945 3.246 171 HH21 ARG 27 1HH2 ARG 27 -14.333 -7.787 3.659 172 HH22 ARG 27 2HH2 ARG 27 -15.646 -8.676 2.962 173 HA PRO 28 HA PRO 28 -5.620 -13.312 3.327 174 HB2 PRO 28 1HB PRO 28 -5.137 -15.428 4.958 175 HB3 PRO 28 2HB PRO 28 -4.401 -13.839 5.203 176 HG2 PRO 28 1HG PRO 28 -6.774 -15.057 6.562 177 HG3 PRO 28 2HG PRO 28 -5.438 -14.128 7.264 178 HD2 PRO 28 1HD PRO 28 -7.860 -13.033 6.748 179 HD3 PRO 28 2HD PRO 28 -6.350 -12.105 6.641 180 H GLN 29 H GLN 29 -6.690 -14.130 1.602 181 HA GLN 29 HA GLN 29 -8.680 -16.222 1.970 182 HB2 GLN 29 1HB GLN 29 -7.753 -15.104 -0.666 183 HB3 GLN 29 2HB GLN 29 -9.288 -15.872 -0.286 184 HG2 GLN 29 1HG GLN 29 -8.400 -13.221 0.823 185 HG3 GLN 29 2HG GLN 29 -9.425 -13.418 -0.598 186 HE21 GLN 29 1HE2 GLN 29 -11.043 -12.219 0.488 187 HE22 GLN 29 2HE2 GLN 29 -12.032 -12.956 1.697 188 H THR 30 H THR 30 -8.483 -17.824 -0.140 189 HA THR 30 HA THR 30 -6.537 -19.687 0.550 190 HB THR 30 HB THR 30 -7.515 -19.639 -2.269 191 HG1 THR 30 1HG THR 30 -9.281 -20.583 -0.315 192 HG21 THR 30 3HG2 THR 30 -7.005 -21.687 -0.138 193 HG22 THR 30 1HG2 THR 30 -6.338 -21.587 -1.767 194 HG23 THR 30 2HG2 THR 30 -8.018 -22.070 -1.530 195 H ASN 31 H ASN 31 -6.601 -17.730 -2.438 196 HA ASN 31 HA ASN 31 -3.655 -17.833 -2.441 197 HB2 ASN 31 1HB ASN 31 -5.479 -17.742 -4.854 198 HB3 ASN 31 2HB ASN 31 -3.719 -17.812 -4.884 199 HD21 ASN 31 1HD2 ASN 31 -2.995 -19.697 -3.234 200 HD22 ASN 31 2HD2 ASN 31 -3.704 -21.223 -3.626 201 H CYS 32 H CYS 32 -6.295 -15.871 -2.083 202 HA CYS 32 HA CYS 32 -4.783 -13.504 -2.973 203 HB2 CYS 32 1HB CYS 32 -7.144 -12.442 -3.104 204 HB3 CYS 32 2HB CYS 32 -6.625 -13.508 -4.404 205 HG CYS 32 HG CYS 32 -9.413 -13.774 -3.505 206 H ILE 33 H ILE 33 -5.694 -11.464 -1.803 207 HA ILE 33 HA ILE 33 -6.579 -11.919 0.907 208 HB ILE 33 HB ILE 33 -3.868 -10.666 0.467 209 HG12 ILE 33 1HG1 ILE 33 -4.592 -13.366 1.627 210 HG13 ILE 33 2HG1 ILE 33 -3.786 -13.088 0.087 211 HG21 ILE 33 1HG2 ILE 33 -3.848 -10.093 2.646 212 HG22 ILE 33 2HG2 ILE 33 -5.600 -10.153 2.468 213 HG23 ILE 33 3HG2 ILE 33 -4.735 -11.534 3.142 214 HD11 ILE 33 3HD1 ILE 33 -2.538 -11.984 2.541 215 HD12 ILE 33 1HD1 ILE 33 -2.446 -13.722 2.256 216 HD13 ILE 33 2HD1 ILE 33 -1.792 -12.596 1.065 217 H ILE 34 H ILE 34 -8.204 -10.487 0.845 218 HA ILE 34 HA ILE 34 -7.888 -7.911 -0.440 219 HB ILE 34 HB ILE 34 -10.215 -9.174 1.005 220 HG12 ILE 34 1HG1 ILE 34 -11.217 -9.092 -1.293 221 HG13 ILE 34 2HG1 ILE 34 -9.657 -8.548 -1.901 222 HG21 ILE 34 1HG2 ILE 34 -11.074 -6.948 -0.488 223 HG22 ILE 34 2HG2 ILE 34 -11.112 -7.162 1.261 224 HG23 ILE 34 3HG2 ILE 34 -9.714 -6.407 0.495 225 HD11 ILE 34 3HD1 ILE 34 -8.688 -10.596 -1.638 226 HD12 ILE 34 1HD1 ILE 34 -9.769 -11.064 -0.326 227 HD13 ILE 34 2HD1 ILE 34 -10.349 -11.071 -1.992 228 H MET 35 H MET 35 -7.647 -5.972 0.541 229 HA MET 35 HA MET 35 -7.750 -5.871 3.474 230 HB2 MET 35 1HB MET 35 -5.704 -4.249 3.179 231 HB3 MET 35 2HB MET 35 -5.458 -5.987 3.277 232 HG2 MET 35 1HG MET 35 -5.218 -6.150 0.901 233 HG3 MET 35 2HG MET 35 -5.665 -4.458 0.697 234 HE1 MET 35 3HE MET 35 -4.268 -2.464 1.429 235 HE2 MET 35 1HE MET 35 -3.977 -3.009 3.081 236 HE3 MET 35 2HE MET 35 -2.622 -2.528 2.060 237 H SER 36 H SER 36 -8.798 -4.147 4.252 238 HA SER 36 HA SER 36 -9.228 -1.848 2.463 239 HB2 SER 36 1HB SER 36 -11.311 -2.968 2.402 240 HB3 SER 36 2HB SER 36 -11.254 -3.340 4.125 241 HG SER 36 HG SER 36 -11.851 -0.915 2.842 242 H TRP 37 H TRP 37 -8.441 -0.055 3.320 243 HA TRP 37 HA TRP 37 -8.305 0.163 6.255 244 HB2 TRP 37 1HB TRP 37 -6.432 1.753 5.879 245 HB3 TRP 37 2HB TRP 37 -6.094 0.138 5.262 246 HD1 TRP 37 HD TRP 37 -6.275 3.726 4.201 247 HE1 TRP 37 1HE TRP 37 -5.767 3.917 1.685 248 HE3 TRP 37 3HE TRP 37 -6.478 -1.228 2.953 249 HZ2 TRP 37 2HZ TRP 37 -5.490 2.196 -0.535 250 HZ3 TRP 37 3HZ TRP 37 -6.080 -1.871 0.612 251 HH2 TRP 37 HH TRP 37 -5.597 -0.193 -1.095 252 H THR 38 H THR 38 -7.926 2.748 6.693 253 HA THR 38 HA THR 38 -10.079 4.181 5.295 254 HB THR 38 HB THR 38 -10.353 5.207 7.780 255 HG1 THR 38 1HG THR 38 -10.181 2.467 8.373 256 HG21 THR 38 3HG2 THR 38 -12.442 4.257 7.762 257 HG22 THR 38 1HG2 THR 38 -11.845 2.688 7.223 258 HG23 THR 38 2HG2 THR 38 -11.986 4.020 6.075 259 HA PRO 39 HA PRO 39 -7.431 7.678 5.188 260 HB2 PRO 39 1HB PRO 39 -9.114 9.741 5.719 261 HB3 PRO 39 2HB PRO 39 -9.144 8.845 4.196 262 HG2 PRO 39 1HG PRO 39 -10.907 8.557 6.598 263 HG3 PRO 39 2HG PRO 39 -11.347 8.555 4.880 264 HD2 PRO 39 1HD PRO 39 -11.111 6.278 6.326 265 HD3 PRO 39 2HD PRO 39 -10.727 6.354 4.594 266 HA PRO 40 HA PRO 40 -5.973 8.941 9.139 267 HB2 PRO 40 1HB PRO 40 -5.198 11.508 8.715 268 HB3 PRO 40 2HB PRO 40 -4.320 10.119 8.064 269 HG2 PRO 40 1HG PRO 40 -6.297 11.914 6.710 270 HG3 PRO 40 2HG PRO 40 -4.758 11.279 6.097 271 HD2 PRO 40 1HD PRO 40 -7.150 10.204 5.422 272 HD3 PRO 40 2HD PRO 40 -5.672 9.232 5.562 273 H LEU 41 H LEU 41 -6.899 9.560 10.994 274 HA LEU 41 HA LEU 41 -9.436 10.526 11.261 275 HB2 LEU 41 1HB LEU 41 -7.060 10.745 13.079 276 HB3 LEU 41 2HB LEU 41 -8.642 11.360 13.552 277 HG LEU 41 HG LEU 41 -8.280 8.504 12.707 278 HD11 LEU 41 1HD1 LEU 41 -6.658 9.077 14.526 279 HD12 LEU 41 2HD1 LEU 41 -7.851 7.851 14.954 280 HD13 LEU 41 3HD1 LEU 41 -8.039 9.505 15.536 281 HD21 LEU 41 3HD2 LEU 41 -10.521 8.811 12.882 282 HD22 LEU 41 1HD2 LEU 41 -10.362 10.158 14.009 283 HD23 LEU 41 2HD2 LEU 41 -10.176 8.501 14.584 284 H ASN 42 H ASN 42 -6.618 12.304 10.427 285 HA ASN 42 HA ASN 42 -7.991 14.856 10.907 286 HB2 ASN 42 1HB ASN 42 -5.481 14.208 11.602 287 HB3 ASN 42 2HB ASN 42 -5.169 14.810 9.976 288 HD21 ASN 42 1HD2 ASN 42 -5.130 16.943 9.629 289 HD22 ASN 42 2HD2 ASN 42 -5.490 18.143 10.819 290 HA PRO 43 HA PRO 43 -8.728 14.478 6.445 291 HB2 PRO 43 1HB PRO 43 -10.765 16.272 6.422 292 HB3 PRO 43 2HB PRO 43 -10.980 14.581 6.889 293 HG2 PRO 43 1HG PRO 43 -10.660 17.000 8.624 294 HG3 PRO 43 2HG PRO 43 -11.778 15.635 8.802 295 HD2 PRO 43 1HD PRO 43 -9.490 15.840 10.235 296 HD3 PRO 43 2HD PRO 43 -10.169 14.276 9.740 297 H ASN 44 H ASN 44 -7.397 16.839 8.363 298 HA ASN 44 HA ASN 44 -7.346 18.924 6.334 299 HB2 ASN 44 1HB ASN 44 -6.035 18.837 9.061 300 HB3 ASN 44 2HB ASN 44 -6.148 20.247 8.011 301 HD21 ASN 44 1HD2 ASN 44 -8.125 17.855 9.700 302 HD22 ASN 44 2HD2 ASN 44 -9.444 18.921 10.032 303 H ILE 45 H ILE 45 -5.836 16.135 6.511 304 HA ILE 45 HA ILE 45 -3.185 17.191 5.790 305 HB ILE 45 HB ILE 45 -3.905 14.360 6.558 306 HG12 ILE 45 1HG1 ILE 45 -4.161 15.805 8.483 307 HG13 ILE 45 2HG1 ILE 45 -2.675 14.878 8.662 308 HG21 ILE 45 1HG2 ILE 45 -1.880 13.778 5.862 309 HG22 ILE 45 2HG2 ILE 45 -1.672 15.402 5.208 310 HG23 ILE 45 3HG2 ILE 45 -1.139 15.038 6.850 311 HD11 ILE 45 3HD1 ILE 45 -1.364 16.790 7.997 312 HD12 ILE 45 1HD1 ILE 45 -2.830 17.723 7.696 313 HD13 ILE 45 2HD1 ILE 45 -2.426 17.221 9.338 314 H VAL 46 H VAL 46 -2.254 16.680 3.849 315 HA VAL 46 HA VAL 46 -4.041 15.871 1.741 316 HB VAL 46 HB VAL 46 -1.091 16.512 1.618 317 HG11 VAL 46 1HG1 VAL 46 -1.226 16.495 -0.689 318 HG12 VAL 46 2HG1 VAL 46 -2.254 15.128 -0.252 319 HG13 VAL 46 3HG1 VAL 46 -2.980 16.675 -0.693 320 HG21 VAL 46 3HG2 VAL 46 -1.773 18.711 0.851 321 HG22 VAL 46 1HG2 VAL 46 -3.471 18.257 0.995 322 HG23 VAL 46 2HG2 VAL 46 -2.466 18.383 2.439 323 H VAL 47 H VAL 47 -4.008 14.011 0.557 324 HA VAL 47 HA VAL 47 -2.032 11.959 1.281 325 HB VAL 47 HB VAL 47 -5.000 11.466 1.002 326 HG11 VAL 47 1HG1 VAL 47 -3.853 9.566 0.171 327 HG12 VAL 47 2HG1 VAL 47 -2.675 9.617 1.483 328 HG13 VAL 47 3HG1 VAL 47 -4.348 9.170 1.816 329 HG21 VAL 47 3HG2 VAL 47 -4.519 10.653 3.462 330 HG22 VAL 47 1HG2 VAL 47 -3.202 11.820 3.347 331 HG23 VAL 47 2HG2 VAL 47 -4.869 12.346 3.114 332 H ARG 48 H ARG 48 -0.970 11.407 -0.496 333 HA ARG 48 HA ARG 48 -2.203 11.763 -3.109 334 HB2 ARG 48 1HB ARG 48 0.611 11.026 -2.290 335 HB3 ARG 48 2HB ARG 48 0.081 11.196 -3.958 336 HG2 ARG 48 1HG ARG 48 0.197 13.343 -1.854 337 HG3 ARG 48 2HG ARG 48 1.190 13.205 -3.306 338 HD2 ARG 48 1HD ARG 48 -1.066 13.288 -4.567 339 HD3 ARG 48 2HD ARG 48 -1.704 13.935 -3.056 340 HE ARG 48 HE ARG 48 0.396 15.531 -3.476 341 HH11 ARG 48 1HH1 ARG 48 -2.144 14.469 -5.607 342 HH12 ARG 48 2HH1 ARG 48 -2.115 15.908 -6.571 343 HH21 ARG 48 1HH2 ARG 48 0.445 17.430 -4.738 344 HH22 ARG 48 2HH2 ARG 48 -0.641 17.591 -6.077 345 H GLY 49 H GLY 49 -1.591 9.270 -0.854 346 HA2 GLY 49 1HA GLY 49 -3.065 7.295 -1.936 347 HA3 GLY 49 2HA GLY 49 -1.549 7.132 -2.811 348 H TYR 50 H TYR 50 -1.518 4.984 -1.823 349 HA TYR 50 HA TYR 50 -0.143 5.081 0.755 350 HB2 TYR 50 1HB TYR 50 -2.093 2.862 0.376 351 HB3 TYR 50 2HB TYR 50 -1.535 3.626 1.860 352 HD1 TYR 50 2HD TYR 50 -3.791 4.042 -1.045 353 HD2 TYR 50 1HD TYR 50 -2.752 5.397 2.853 354 HE1 TYR 50 2HE TYR 50 -5.855 5.377 -0.965 355 HE2 TYR 50 1HE TYR 50 -4.814 6.735 2.944 356 HH TYR 50 HH TYR 50 -6.866 7.025 1.958 357 H ILE 51 H ILE 51 1.230 3.286 1.156 358 HA ILE 51 HA ILE 51 2.004 1.874 -1.302 359 HB ILE 51 HB ILE 51 3.614 2.346 1.210 360 HG12 ILE 51 1HG1 ILE 51 4.045 3.547 -1.525 361 HG13 ILE 51 2HG1 ILE 51 3.105 4.351 -0.273 362 HG21 ILE 51 1HG2 ILE 51 3.929 0.442 -0.862 363 HG22 ILE 51 2HG2 ILE 51 5.201 1.649 -1.042 364 HG23 ILE 51 3HG2 ILE 51 5.014 0.787 0.484 365 HD11 ILE 51 3HD1 ILE 51 6.028 3.672 -0.239 366 HD12 ILE 51 1HD1 ILE 51 5.276 5.266 -0.198 367 HD13 ILE 51 2HD1 ILE 51 5.140 4.191 1.193 368 H ILE 52 H ILE 52 1.150 -0.096 -1.423 369 HA ILE 52 HA ILE 52 0.601 -1.626 0.988 370 HB ILE 52 HB ILE 52 0.050 -2.271 -1.911 371 HG12 ILE 52 1HG1 ILE 52 -1.912 -1.527 0.261 372 HG13 ILE 52 2HG1 ILE 52 -1.210 -0.344 -0.837 373 HG21 ILE 52 1HG2 ILE 52 0.300 -4.089 0.087 374 HG22 ILE 52 2HG2 ILE 52 -1.415 -3.698 0.194 375 HG23 ILE 52 3HG2 ILE 52 -0.739 -4.291 -1.323 376 HD11 ILE 52 3HD1 ILE 52 -3.346 -2.279 -1.272 377 HD12 ILE 52 1HD1 ILE 52 -3.000 -0.758 -2.095 378 HD13 ILE 52 2HD1 ILE 52 -2.147 -2.229 -2.565 379 H GLY 53 H GLY 53 2.461 -2.441 1.818 380 HA2 GLY 53 1HA GLY 53 4.276 -3.875 -0.002 381 HA3 GLY 53 2HA GLY 53 4.691 -3.299 1.606 382 H TYR 54 H TYR 54 3.070 -5.794 -0.226 383 HA TYR 54 HA TYR 54 2.767 -7.384 2.230 384 HB2 TYR 54 1HB TYR 54 1.137 -8.717 1.029 385 HB3 TYR 54 2HB TYR 54 0.710 -7.016 0.888 386 HD1 TYR 54 1HD TYR 54 1.468 -5.803 -1.266 387 HD2 TYR 54 2HD TYR 54 1.308 -10.037 -0.882 388 HE1 TYR 54 1HE TYR 54 1.407 -6.016 -3.715 389 HE2 TYR 54 2HE TYR 54 1.248 -10.262 -3.331 390 HH TYR 54 HH TYR 54 1.485 -7.426 -5.443 391 H GLY 55 H GLY 55 3.429 -9.582 2.240 392 HA2 GLY 55 1HA GLY 55 4.718 -10.889 0.118 393 HA3 GLY 55 2HA GLY 55 5.940 -10.055 1.066 394 H VAL 56 H VAL 56 5.785 -12.863 0.731 395 HA VAL 56 HA VAL 56 4.577 -14.071 3.022 396 HB VAL 56 HB VAL 56 6.702 -15.164 1.173 397 HG11 VAL 56 1HG1 VAL 56 6.541 -17.184 2.197 398 HG12 VAL 56 2HG1 VAL 56 6.165 -16.163 3.586 399 HG13 VAL 56 3HG1 VAL 56 4.863 -16.932 2.678 400 HG21 VAL 56 3HG2 VAL 56 3.925 -14.653 0.769 401 HG22 VAL 56 1HG2 VAL 56 5.090 -15.380 -0.337 402 HG23 VAL 56 2HG2 VAL 56 4.188 -16.397 0.787 403 H GLY 57 H GLY 57 5.287 -13.743 5.025 404 HA2 GLY 57 1HA GLY 57 6.766 -13.916 6.808 405 HA3 GLY 57 2HA GLY 57 8.062 -14.236 5.665 406 H SER 58 H SER 58 7.392 -11.809 4.100 407 HA SER 58 HA SER 58 8.040 -9.662 5.969 408 HB2 SER 58 1HB SER 58 9.729 -9.905 3.505 409 HB3 SER 58 2HB SER 58 10.078 -9.073 5.020 410 HG SER 58 HG SER 58 11.064 -10.816 5.617 411 HA PRO 59 HA PRO 59 5.169 -7.628 3.274 412 HB2 PRO 59 1HB PRO 59 5.392 -5.157 4.377 413 HB3 PRO 59 2HB PRO 59 4.489 -6.472 5.140 414 HG2 PRO 59 1HG PRO 59 7.263 -5.499 5.708 415 HG3 PRO 59 2HG PRO 59 5.985 -5.963 6.846 416 HD2 PRO 59 1HD PRO 59 8.034 -7.613 6.205 417 HD3 PRO 59 2HD PRO 59 6.412 -8.215 6.603 418 H TYR 60 H TYR 60 8.289 -7.714 2.853 419 HA TYR 60 HA TYR 60 8.427 -5.341 1.113 420 HB2 TYR 60 1HB TYR 60 10.813 -6.927 2.038 421 HB3 TYR 60 2HB TYR 60 10.768 -5.285 1.405 422 HD1 TYR 60 1HD TYR 60 9.123 -3.698 2.893 423 HD2 TYR 60 2HD TYR 60 11.248 -7.110 4.287 424 HE1 TYR 60 1HE TYR 60 9.027 -2.812 5.185 425 HE2 TYR 60 2HE TYR 60 11.157 -6.234 6.584 426 HH TYR 60 HH TYR 60 9.803 -4.686 7.912 427 H ALA 61 H ALA 61 7.365 -8.181 0.683 428 HA ALA 61 HA ALA 61 9.133 -9.200 -1.380 429 HB1 ALA 61 3HB ALA 61 7.699 -10.574 0.292 430 HB2 ALA 61 1HB ALA 61 6.394 -10.278 -0.857 431 HB3 ALA 61 2HB ALA 61 7.852 -11.125 -1.377 432 H GLU 62 H GLU 62 6.033 -7.552 -1.121 433 HA GLU 62 HA GLU 62 6.188 -6.913 -3.968 434 HB2 GLU 62 1HB GLU 62 3.734 -8.089 -2.650 435 HB3 GLU 62 2HB GLU 62 3.782 -7.417 -4.274 436 HG2 GLU 62 1HG GLU 62 4.040 -9.605 -4.786 437 HG3 GLU 62 2HG GLU 62 5.734 -9.179 -4.552 438 H THR 63 H THR 63 5.891 -4.811 -4.263 439 HA THR 63 HA THR 63 4.372 -3.309 -2.229 440 HB THR 63 HB THR 63 5.919 -1.393 -3.395 441 HG1 THR 63 1HG THR 63 8.093 -2.596 -3.158 442 HG21 THR 63 3HG2 THR 63 7.497 -1.998 -1.334 443 HG22 THR 63 1HG2 THR 63 6.125 -3.026 -0.923 444 HG23 THR 63 2HG2 THR 63 5.898 -1.287 -1.116 445 H VAL 64 H VAL 64 2.793 -1.955 -2.901 446 HA VAL 64 HA VAL 64 2.571 -1.315 -5.748 447 HB VAL 64 HB VAL 64 0.531 -2.819 -4.142 448 HG11 VAL 64 1HG1 VAL 64 0.050 -0.757 -6.215 449 HG12 VAL 64 2HG1 VAL 64 -0.906 -2.238 -6.306 450 HG13 VAL 64 3HG1 VAL 64 -0.950 -1.246 -4.848 451 HG21 VAL 64 3HG2 VAL 64 2.003 -3.174 -6.699 452 HG22 VAL 64 1HG2 VAL 64 1.625 -4.347 -5.437 453 HG23 VAL 64 2HG2 VAL 64 0.377 -3.846 -6.579 454 H ARG 65 H ARG 65 2.502 0.830 -5.795 455 HA ARG 65 HA ARG 65 1.336 2.316 -3.582 456 HB2 ARG 65 1HB ARG 65 3.146 2.941 -5.852 457 HB3 ARG 65 2HB ARG 65 2.121 4.247 -5.272 458 HG2 ARG 65 1HG ARG 65 3.181 4.371 -3.252 459 HG3 ARG 65 2HG ARG 65 3.670 2.676 -3.281 460 HD2 ARG 65 1HD ARG 65 5.476 3.090 -4.678 461 HD3 ARG 65 2HD ARG 65 4.798 4.608 -5.267 462 HE ARG 65 HE ARG 65 6.341 4.204 -2.853 463 HH11 ARG 65 1HH1 ARG 65 4.196 6.293 -4.629 464 HH12 ARG 65 2HH1 ARG 65 4.676 7.725 -3.779 465 HH21 ARG 65 1HH2 ARG 65 6.981 6.082 -1.726 466 HH22 ARG 65 2HH2 ARG 65 6.261 7.603 -2.129 467 H VAL 66 H VAL 66 -0.799 2.579 -3.619 468 HA VAL 66 HA VAL 66 -2.185 2.869 -6.180 469 HB VAL 66 HB VAL 66 -4.256 2.776 -4.669 470 HG11 VAL 66 1HG1 VAL 66 -3.642 0.920 -6.061 471 HG12 VAL 66 2HG1 VAL 66 -2.391 0.420 -4.920 472 HG13 VAL 66 3HG1 VAL 66 -4.093 0.302 -4.473 473 HG21 VAL 66 3HG2 VAL 66 -4.074 2.436 -2.460 474 HG22 VAL 66 1HG2 VAL 66 -2.733 1.306 -2.649 475 HG23 VAL 66 2HG2 VAL 66 -2.430 3.044 -2.656 476 H ASP 67 H ASP 67 -4.234 4.389 -5.887 477 HA ASP 67 HA ASP 67 -3.142 7.030 -5.443 478 HB2 ASP 67 1HB ASP 67 -6.000 6.479 -6.184 479 HB3 ASP 67 2HB ASP 67 -4.988 7.853 -6.621 480 H SER 68 H SER 68 -4.624 8.678 -4.350 481 HA SER 68 HA SER 68 -5.067 7.779 -1.654 482 HB2 SER 68 1HB SER 68 -5.324 10.063 -1.091 483 HB3 SER 68 2HB SER 68 -4.113 10.049 -2.372 484 HG SER 68 HG SER 68 -5.446 11.075 -3.647 485 H LYS 69 H LYS 69 -6.826 6.910 -3.978 486 HA LYS 69 HA LYS 69 -9.412 7.718 -2.818 487 HB2 LYS 69 1HB LYS 69 -10.272 6.861 -5.124 488 HB3 LYS 69 2HB LYS 69 -9.547 8.459 -5.009 489 HG2 LYS 69 1HG LYS 69 -7.533 7.727 -5.989 490 HG3 LYS 69 2HG LYS 69 -7.970 6.028 -5.798 491 HD2 LYS 69 1HD LYS 69 -9.588 6.143 -7.503 492 HD3 LYS 69 2HD LYS 69 -9.594 7.908 -7.490 493 HE2 LYS 69 1HE LYS 69 -8.307 7.571 -9.336 494 HE3 LYS 69 2HE LYS 69 -7.040 7.540 -8.110 495 HZ1 LYS 69 3HZ LYS 69 -8.306 4.991 -8.663 496 HZ2 LYS 69 1HZ LYS 69 -6.673 5.361 -8.421 497 HZ3 LYS 69 2HZ LYS 69 -7.386 5.628 -9.931 498 H GLN 70 H GLN 70 -7.338 5.085 -3.699 499 HA GLN 70 HA GLN 70 -9.257 3.003 -3.578 500 HB2 GLN 70 1HB GLN 70 -6.312 2.742 -2.981 501 HB3 GLN 70 2HB GLN 70 -7.401 1.496 -3.576 502 HG2 GLN 70 1HG GLN 70 -6.363 3.896 -5.053 503 HG3 GLN 70 2HG GLN 70 -6.061 2.194 -5.397 504 HE21 GLN 70 1HE2 GLN 70 -8.763 4.468 -5.064 505 HE22 GLN 70 2HE2 GLN 70 -9.684 3.834 -6.380 506 H ARG 71 H ARG 71 -10.356 2.364 -1.856 507 HA ARG 71 HA ARG 71 -9.277 2.899 0.813 508 HB2 ARG 71 1HB ARG 71 -11.464 3.738 0.647 509 HB3 ARG 71 2HB ARG 71 -12.033 2.328 -0.238 510 HG2 ARG 71 1HG ARG 71 -12.236 1.047 1.663 511 HG3 ARG 71 2HG ARG 71 -11.065 2.011 2.564 512 HD2 ARG 71 1HD ARG 71 -12.737 3.901 2.469 513 HD3 ARG 71 2HD ARG 71 -13.901 2.728 1.854 514 HE ARG 71 HE ARG 71 -12.700 1.825 4.266 515 HH11 ARG 71 1HH1 ARG 71 -15.094 4.018 3.010 516 HH12 ARG 71 2HH1 ARG 71 -16.049 4.010 4.455 517 HH21 ARG 71 1HH2 ARG 71 -13.949 1.805 6.174 518 HH22 ARG 71 2HH2 ARG 71 -15.396 2.752 6.255 519 H TYR 72 H TYR 72 -9.095 0.483 -1.335 520 HA TYR 72 HA TYR 72 -8.312 -1.455 0.570 521 HB2 TYR 72 1HB TYR 72 -10.045 -2.972 0.606 522 HB3 TYR 72 2HB TYR 72 -10.950 -1.464 0.521 523 HD1 TYR 72 1HD TYR 72 -11.993 -0.764 -1.610 524 HD2 TYR 72 2HD TYR 72 -10.083 -4.544 -1.197 525 HE1 TYR 72 1HE TYR 72 -13.123 -1.551 -3.648 526 HE2 TYR 72 2HE TYR 72 -11.206 -5.341 -3.234 527 HH TYR 72 HH TYR 72 -12.289 -4.550 -5.170 528 H TYR 73 H TYR 73 -7.398 -3.330 -0.394 529 HA TYR 73 HA TYR 73 -7.244 -3.330 -3.322 530 HB2 TYR 73 1HB TYR 73 -5.280 -2.092 -2.319 531 HB3 TYR 73 2HB TYR 73 -4.795 -3.612 -1.576 532 HD1 TYR 73 2HD TYR 73 -4.243 -5.569 -3.080 533 HD2 TYR 73 1HD TYR 73 -4.739 -1.612 -4.561 534 HE1 TYR 73 2HE TYR 73 -3.039 -6.193 -5.132 535 HE2 TYR 73 1HE TYR 73 -3.537 -2.224 -6.618 536 HH TYR 73 HH TYR 73 -2.242 -3.797 -7.594 537 H SER 74 H SER 74 -7.432 -5.302 -4.172 538 HA SER 74 HA SER 74 -7.423 -7.593 -2.348 539 HB2 SER 74 1HB SER 74 -8.338 -7.698 -5.210 540 HB3 SER 74 2HB SER 74 -8.856 -8.687 -3.844 541 HG SER 74 HG SER 74 -9.856 -6.790 -2.989 542 H ILE 75 H ILE 75 -5.399 -8.366 -2.159 543 HA ILE 75 HA ILE 75 -3.572 -8.451 -4.379 544 HB ILE 75 HB ILE 75 -3.329 -9.706 -1.642 545 HG12 ILE 75 1HG1 ILE 75 -2.091 -7.147 -2.669 546 HG13 ILE 75 2HG1 ILE 75 -3.565 -7.199 -1.707 547 HG21 ILE 75 1HG2 ILE 75 -1.905 -10.666 -3.492 548 HG22 ILE 75 2HG2 ILE 75 -1.121 -9.090 -3.588 549 HG23 ILE 75 3HG2 ILE 75 -1.030 -10.030 -2.099 550 HD11 ILE 75 3HD1 ILE 75 -1.057 -6.913 -0.715 551 HD12 ILE 75 1HD1 ILE 75 -2.445 -7.506 0.198 552 HD13 ILE 75 2HD1 ILE 75 -1.316 -8.648 -0.533 553 H GLU 76 H GLU 76 -3.081 -10.130 -5.678 554 HA GLU 76 HA GLU 76 -4.240 -12.759 -5.066 555 HB2 GLU 76 1HB GLU 76 -4.314 -11.454 -7.792 556 HB3 GLU 76 2HB GLU 76 -4.951 -13.038 -7.375 557 HG2 GLU 76 1HG GLU 76 -6.354 -11.626 -5.642 558 HG3 GLU 76 2HG GLU 76 -6.045 -10.341 -6.808 559 H ARG 77 H ARG 77 -3.372 -14.345 -6.921 560 HA ARG 77 HA ARG 77 -1.591 -15.432 -7.839 561 HB2 ARG 77 1HB ARG 77 -0.065 -12.836 -7.633 562 HB3 ARG 77 2HB ARG 77 0.268 -14.192 -8.701 563 HG2 ARG 77 1HG ARG 77 -2.254 -12.565 -8.848 564 HG3 ARG 77 2HG ARG 77 -0.800 -12.194 -9.776 565 HD2 ARG 77 1HD ARG 77 -1.891 -13.485 -11.304 566 HD3 ARG 77 2HD ARG 77 -1.015 -14.747 -10.438 567 HE ARG 77 HE ARG 77 -3.042 -15.314 -9.311 568 HH11 ARG 77 1HH1 ARG 77 -3.406 -12.984 -11.873 569 HH12 ARG 77 2HH1 ARG 77 -5.108 -13.257 -12.055 570 HH21 ARG 77 1HH2 ARG 77 -5.281 -15.681 -9.542 571 HH22 ARG 77 2HH2 ARG 77 -6.173 -14.790 -10.729 572 H LEU 78 H LEU 78 -2.026 -15.579 -5.093 573 HA LEU 78 HA LEU 78 0.724 -15.743 -4.044 574 HB2 LEU 78 1HB LEU 78 -1.732 -15.556 -2.331 575 HB3 LEU 78 2HB LEU 78 -0.052 -15.277 -1.877 576 HG LEU 78 HG LEU 78 -1.639 -13.479 -3.707 577 HD11 LEU 78 1HD1 LEU 78 -0.984 -13.103 -0.789 578 HD12 LEU 78 2HD1 LEU 78 -2.571 -13.529 -1.427 579 HD13 LEU 78 3HD1 LEU 78 -1.848 -11.972 -1.832 580 HD21 LEU 78 3HD2 LEU 78 1.152 -13.595 -2.819 581 HD22 LEU 78 1HD2 LEU 78 0.389 -12.016 -2.635 582 HD23 LEU 78 2HD2 LEU 78 0.435 -12.793 -4.217 583 H GLU 79 H GLU 79 0.750 -17.384 -2.107 584 HA GLU 79 HA GLU 79 -0.314 -19.890 -3.180 585 HB2 GLU 79 1HB GLU 79 1.321 -20.984 -1.700 586 HB3 GLU 79 2HB GLU 79 2.085 -19.834 -2.788 587 HG2 GLU 79 1HG GLU 79 1.722 -18.219 -0.715 588 HG3 GLU 79 2HG GLU 79 1.776 -19.751 0.154 589 H SER 80 H SER 80 -0.518 -21.549 -1.145 590 HA SER 80 HA SER 80 -2.528 -20.305 0.613 591 HB2 SER 80 1HB SER 80 -3.762 -22.313 0.593 592 HB3 SER 80 2HB SER 80 -3.230 -22.119 -1.077 593 HG SER 80 HG SER 80 -2.029 -23.764 0.902 594 H SER 81 H SER 81 -2.752 -21.242 2.771 595 HA SER 81 HA SER 81 -1.848 -21.647 4.824 596 HB2 SER 81 1HB SER 81 -0.413 -23.765 3.208 597 HB3 SER 81 2HB SER 81 -0.443 -23.710 4.971 598 HG SER 81 HG SER 81 -2.928 -23.524 3.854 599 H SER 82 H SER 82 -0.738 -19.449 3.948 600 HA SER 82 HA SER 82 2.027 -19.658 4.857 601 HB2 SER 82 1HB SER 82 2.571 -17.944 2.943 602 HB3 SER 82 2HB SER 82 2.558 -19.673 2.596 603 HG SER 82 HG SER 82 0.412 -17.868 2.146 604 H HIS 83 H HIS 83 2.731 -17.900 5.990 605 HA HIS 83 HA HIS 83 0.714 -16.013 6.823 606 HB2 HIS 83 1HB HIS 83 2.074 -16.773 8.587 607 HB3 HIS 83 2HB HIS 83 3.554 -16.556 7.657 608 HD1 HIS 83 1HD HIS 83 4.506 -15.128 9.633 609 HD2 HIS 83 2HD HIS 83 1.158 -13.518 7.772 610 HE1 HIS 83 1HE HIS 83 4.392 -12.737 10.405 611 HE2 HIS 83 2HE HIS 83 2.311 -11.808 9.333 612 H TYR 84 H TYR 84 0.265 -14.499 5.317 613 HA TYR 84 HA TYR 84 2.459 -13.156 3.931 614 HB2 TYR 84 1HB TYR 84 -0.456 -13.474 3.464 615 HB3 TYR 84 2HB TYR 84 0.276 -11.972 2.909 616 HD1 TYR 84 1HD TYR 84 0.680 -15.671 2.701 617 HD2 TYR 84 2HD TYR 84 1.352 -11.902 0.846 618 HE1 TYR 84 1HE TYR 84 1.479 -16.817 0.677 619 HE2 TYR 84 2HE TYR 84 2.152 -13.037 -1.184 620 HH TYR 84 HH TYR 84 3.033 -15.132 -1.896 621 H VAL 85 H VAL 85 3.330 -11.445 4.879 622 HA VAL 85 HA VAL 85 1.893 -9.934 6.880 623 HB VAL 85 HB VAL 85 4.604 -9.247 5.766 624 HG11 VAL 85 1HG1 VAL 85 3.643 -7.563 7.191 625 HG12 VAL 85 2HG1 VAL 85 3.263 -8.767 8.424 626 HG13 VAL 85 3HG1 VAL 85 4.944 -8.374 8.063 627 HG21 VAL 85 3HG2 VAL 85 4.273 -11.704 6.540 628 HG22 VAL 85 1HG2 VAL 85 5.665 -10.792 7.125 629 HG23 VAL 85 2HG2 VAL 85 4.253 -11.007 8.159 630 H ILE 86 H ILE 86 0.864 -8.060 6.595 631 HA ILE 86 HA ILE 86 1.256 -6.634 4.045 632 HB ILE 86 HB ILE 86 -1.328 -6.667 5.593 633 HG12 ILE 86 1HG1 ILE 86 -0.964 -8.221 3.063 634 HG13 ILE 86 2HG1 ILE 86 -0.423 -8.932 4.580 635 HG21 ILE 86 1HG2 ILE 86 -1.935 -6.167 2.997 636 HG22 ILE 86 2HG2 ILE 86 -1.653 -4.924 4.214 637 HG23 ILE 86 3HG2 ILE 86 -0.349 -5.408 3.130 638 HD11 ILE 86 3HD1 ILE 86 -2.832 -8.269 5.374 639 HD12 ILE 86 1HD1 ILE 86 -3.173 -8.316 3.645 640 HD13 ILE 86 2HD1 ILE 86 -2.546 -9.749 4.460 641 H SER 87 H SER 87 2.020 -4.645 4.264 642 HA SER 87 HA SER 87 1.412 -3.160 6.733 643 HB2 SER 87 1HB SER 87 4.052 -3.131 5.251 644 HB3 SER 87 2HB SER 87 3.668 -2.221 6.712 645 HG SER 87 HG SER 87 4.033 -4.996 6.390 646 H LEU 88 H LEU 88 -0.017 -1.679 6.054 647 HA LEU 88 HA LEU 88 0.446 -0.297 3.514 648 HB2 LEU 88 1HB LEU 88 -1.754 -0.962 3.544 649 HB3 LEU 88 2HB LEU 88 -1.914 -0.717 5.282 650 HG LEU 88 HG LEU 88 -1.692 1.816 4.634 651 HD11 LEU 88 1HD1 LEU 88 -1.201 1.591 2.317 652 HD12 LEU 88 2HD1 LEU 88 -2.842 2.224 2.448 653 HD13 LEU 88 3HD1 LEU 88 -2.582 0.522 2.066 654 HD21 LEU 88 3HD2 LEU 88 -3.654 0.551 5.626 655 HD22 LEU 88 1HD2 LEU 88 -4.261 0.400 3.977 656 HD23 LEU 88 2HD2 LEU 88 -4.040 1.997 4.692 657 H LYS 89 H LYS 89 0.748 1.893 3.362 658 HA LYS 89 HA LYS 89 0.660 3.540 5.754 659 HB2 LYS 89 1HB LYS 89 2.921 4.203 5.742 660 HB3 LYS 89 2HB LYS 89 2.963 2.451 5.591 661 HG2 LYS 89 1HG LYS 89 3.599 2.533 3.359 662 HG3 LYS 89 2HG LYS 89 3.050 4.199 3.164 663 HD2 LYS 89 1HD LYS 89 5.312 4.533 3.291 664 HD3 LYS 89 2HD LYS 89 4.886 4.661 4.999 665 HE2 LYS 89 1HE LYS 89 5.317 2.074 4.974 666 HE3 LYS 89 2HE LYS 89 6.266 2.454 3.539 667 HZ1 LYS 89 3HZ LYS 89 7.447 4.135 4.937 668 HZ2 LYS 89 1HZ LYS 89 7.721 2.526 5.382 669 HZ3 LYS 89 2HZ LYS 89 6.664 3.485 6.289 670 H ALA 90 H ALA 90 0.342 5.694 5.331 671 HA ALA 90 HA ALA 90 -0.491 6.351 2.650 672 HB1 ALA 90 3HB ALA 90 -1.779 7.098 4.599 673 HB2 ALA 90 1HB ALA 90 -0.410 8.083 5.118 674 HB3 ALA 90 2HB ALA 90 -1.242 8.454 3.607 675 H PHE 91 H PHE 91 0.355 7.980 1.334 676 HA PHE 91 HA PHE 91 2.951 9.104 2.103 677 HB2 PHE 91 1HB PHE 91 3.968 8.502 0.002 678 HB3 PHE 91 2HB PHE 91 3.320 7.041 0.740 679 HD1 PHE 91 1HD PHE 91 2.708 9.589 -1.864 680 HD2 PHE 91 2HD PHE 91 1.701 5.738 -0.358 681 HE1 PHE 91 1HE PHE 91 1.442 9.120 -3.921 682 HE2 PHE 91 2HE PHE 91 0.434 5.262 -2.413 683 HZ PHE 91 HZ PHE 91 0.304 6.953 -4.198 684 H ASN 92 H ASN 92 3.622 10.912 0.716 685 HA ASN 92 HA ASN 92 1.757 12.117 -1.077 686 HB2 ASN 92 1HB ASN 92 1.116 14.035 0.218 687 HB3 ASN 92 2HB ASN 92 0.714 12.601 1.157 688 HD21 ASN 92 1HD2 ASN 92 0.768 14.700 2.626 689 HD22 ASN 92 2HD2 ASN 92 2.226 14.864 3.539 690 H ASN 93 H ASN 93 2.494 14.624 -1.274 691 HA ASN 93 HA ASN 93 4.978 14.622 -2.470 692 HB2 ASN 93 1HB ASN 93 3.140 16.744 -1.487 693 HB3 ASN 93 2HB ASN 93 4.791 17.225 -1.869 694 HD21 ASN 93 1HD2 ASN 93 1.731 16.666 -3.085 695 HD22 ASN 93 2HD2 ASN 93 2.114 16.664 -4.770 696 H ALA 94 H ALA 94 4.215 14.782 0.869 697 HA ALA 94 HA ALA 94 6.757 15.932 1.655 698 HB1 ALA 94 3HB ALA 94 4.225 15.290 2.966 699 HB2 ALA 94 1HB ALA 94 5.648 14.950 3.952 700 HB3 ALA 94 2HB ALA 94 5.389 16.571 3.306 701 H GLY 95 H GLY 95 5.352 12.791 1.207 702 HA2 GLY 95 1HA GLY 95 7.234 11.109 0.841 703 HA3 GLY 95 2HA GLY 95 7.706 11.546 2.477 704 H GLU 96 H GLU 96 7.362 9.678 3.552 705 HA GLU 96 HA GLU 96 4.669 8.498 3.377 706 HB2 GLU 96 1HB GLU 96 7.216 7.150 4.287 707 HB3 GLU 96 2HB GLU 96 5.645 6.389 4.079 708 HG2 GLU 96 1HG GLU 96 5.737 6.671 1.715 709 HG3 GLU 96 2HG GLU 96 7.184 7.671 1.838 710 H GLY 97 H GLY 97 3.626 7.851 5.297 711 HA2 GLY 97 1HA GLY 97 4.660 9.212 7.705 712 HA3 GLY 97 2HA GLY 97 2.954 9.004 7.342 713 H VAL 98 H VAL 98 3.537 8.249 9.757 714 HA VAL 98 HA VAL 98 4.664 5.956 10.526 715 HB VAL 98 HB VAL 98 3.389 7.177 12.124 716 HG11 VAL 98 1HG1 VAL 98 1.232 6.836 10.158 717 HG12 VAL 98 2HG1 VAL 98 0.737 6.700 11.847 718 HG13 VAL 98 3HG1 VAL 98 1.549 8.159 11.280 719 HG21 VAL 98 3HG2 VAL 98 3.628 4.816 12.624 720 HG22 VAL 98 1HG2 VAL 98 2.069 5.401 13.205 721 HG23 VAL 98 2HG2 VAL 98 2.158 4.452 11.721 722 HA PRO 99 HA PRO 99 2.866 3.089 7.527 723 HB2 PRO 99 1HB PRO 99 4.742 1.167 7.924 724 HB3 PRO 99 2HB PRO 99 5.010 2.571 6.885 725 HG2 PRO 99 1HG PRO 99 5.885 2.110 9.711 726 HG3 PRO 99 2HG PRO 99 6.794 2.809 8.358 727 HD2 PRO 99 1HD PRO 99 5.639 4.329 10.279 728 HD3 PRO 99 2HD PRO 99 5.803 4.877 8.598 729 H LEU 100 H LEU 100 1.398 1.519 7.866 730 HA LEU 100 HA LEU 100 1.193 0.411 10.581 731 HB2 LEU 100 1HB LEU 100 -0.688 1.762 9.331 732 HB3 LEU 100 2HB LEU 100 -1.006 0.199 8.582 733 HG LEU 100 HG LEU 100 -1.082 -0.624 11.076 734 HD11 LEU 100 1HD1 LEU 100 -2.215 1.218 12.434 735 HD12 LEU 100 2HD1 LEU 100 -1.494 2.340 11.280 736 HD13 LEU 100 3HD1 LEU 100 -0.462 1.297 12.257 737 HD21 LEU 100 3HD2 LEU 100 -2.928 -0.721 9.470 738 HD22 LEU 100 1HD2 LEU 100 -3.317 0.964 9.818 739 HD23 LEU 100 2HD2 LEU 100 -3.489 -0.259 11.078 740 H TYR 101 H TYR 101 1.661 -1.658 10.888 741 HA TYR 101 HA TYR 101 1.928 -3.405 8.552 742 HB2 TYR 101 1HB TYR 101 3.155 -3.333 11.266 743 HB3 TYR 101 2HB TYR 101 2.972 -4.903 10.492 744 HD1 TYR 101 1HD TYR 101 3.926 -1.518 9.217 745 HD2 TYR 101 2HD TYR 101 4.996 -5.613 9.647 746 HE1 TYR 101 1HE TYR 101 5.978 -1.111 7.923 747 HE2 TYR 101 2HE TYR 101 7.051 -5.218 8.356 748 HH TYR 101 HH TYR 101 7.811 -3.511 6.584 749 H GLU 102 H GLU 102 1.267 -5.690 8.809 750 HA GLU 102 HA GLU 102 -0.733 -6.323 10.776 751 HB2 GLU 102 1HB GLU 102 -1.777 -4.926 8.776 752 HB3 GLU 102 2HB GLU 102 -1.754 -6.493 7.979 753 HG2 GLU 102 1HG GLU 102 -3.877 -5.795 9.218 754 HG3 GLU 102 2HG GLU 102 -3.256 -7.424 9.483 755 H SER 103 H SER 103 -1.832 -8.509 10.074 756 HA SER 103 HA SER 103 0.125 -10.202 8.686 757 HB2 SER 103 1HB SER 103 0.052 -11.876 10.425 758 HB3 SER 103 2HB SER 103 0.483 -10.334 11.164 759 HG SER 103 HG SER 103 -1.594 -10.145 11.942 760 H ALA 104 H ALA 104 -0.728 -11.848 7.497 761 HA ALA 104 HA ALA 104 -3.498 -12.629 7.809 762 HB1 ALA 104 3HB ALA 104 -2.816 -11.722 5.062 763 HB2 ALA 104 1HB ALA 104 -4.378 -11.785 5.880 764 HB3 ALA 104 2HB ALA 104 -3.231 -10.502 6.266 765 H THR 105 H THR 105 -3.156 -14.763 7.923 766 HA THR 105 HA THR 105 -1.227 -16.039 6.150 767 HB THR 105 HB THR 105 -2.923 -17.388 8.251 768 HG1 THR 105 1HG THR 105 -0.319 -16.256 8.531 769 HG21 THR 105 3HG2 THR 105 -1.870 -18.906 6.680 770 HG22 THR 105 1HG2 THR 105 -1.066 -19.021 8.245 771 HG23 THR 105 2HG2 THR 105 -0.309 -18.124 6.929 772 H THR 106 H THR 106 -1.904 -16.599 4.191 773 HA THR 106 HA THR 106 -4.424 -16.694 3.179 774 HB THR 106 HB THR 106 -3.525 -18.482 1.561 775 HG1 THR 106 1HG THR 106 -1.801 -19.428 2.376 776 HG21 THR 106 3HG2 THR 106 -1.716 -16.744 0.744 777 HG22 THR 106 1HG2 THR 106 -2.451 -15.734 1.988 778 HG23 THR 106 2HG2 THR 106 -3.437 -16.366 0.670 779 H ARG 107 H ARG 107 -5.700 -18.614 2.429 780 HA ARG 107 HA ARG 107 -6.228 -20.325 4.709 781 HB2 ARG 107 1HB ARG 107 -7.671 -20.336 2.061 782 HB3 ARG 107 2HB ARG 107 -8.262 -20.907 3.616 783 HG2 ARG 107 1HG ARG 107 -7.635 -18.031 2.991 784 HG3 ARG 107 2HG ARG 107 -9.243 -18.751 2.893 785 HD2 ARG 107 1HD ARG 107 -7.548 -18.736 5.385 786 HD3 ARG 107 2HD ARG 107 -8.774 -17.522 5.021 787 HE ARG 107 HE ARG 107 -10.182 -19.789 4.830 788 HH11 ARG 107 1HH1 ARG 107 -7.957 -18.651 7.254 789 HH12 ARG 107 2HH1 ARG 107 -8.740 -19.489 8.553 790 HH21 ARG 107 1HH2 ARG 107 -11.221 -20.898 6.530 791 HH22 ARG 107 2HH2 ARG 107 -10.596 -20.768 8.139 792 H SER 108 H SER 108 -7.111 -22.644 3.777 793 HA SER 108 HA SER 108 -4.734 -23.831 2.513 794 HB2 SER 108 1HB SER 108 -6.815 -25.161 4.266 795 HB3 SER 108 2HB SER 108 -5.359 -25.922 3.623 796 HG SER 108 HG SER 108 -4.286 -25.092 5.217 797 H ILE 109 H ILE 109 -4.939 -24.536 0.504 798 HA ILE 109 HA ILE 109 -7.001 -24.337 -1.187 799 HB ILE 109 HB ILE 109 -5.142 -26.717 -1.123 800 HG12 ILE 109 1HG1 ILE 109 -3.947 -24.571 -1.133 801 HG13 ILE 109 2HG1 ILE 109 -3.757 -25.407 -2.670 802 HG21 ILE 109 1HG2 ILE 109 -6.558 -27.420 -2.732 803 HG22 ILE 109 2HG2 ILE 109 -7.192 -25.803 -3.030 804 HG23 ILE 109 3HG2 ILE 109 -5.648 -26.287 -3.731 805 HD11 ILE 109 3HD1 ILE 109 -6.011 -23.774 -2.956 806 HD12 ILE 109 1HD1 ILE 109 -4.794 -22.796 -2.138 807 HD13 ILE 109 2HD1 ILE 109 -4.419 -23.560 -3.683 808 H THR 110 H THR 110 -6.336 -27.523 0.270 809 HA THR 110 HA THR 110 -8.872 -28.582 -0.333 810 HB THR 110 HB THR 110 -7.088 -30.115 0.076 811 HG1 THR 110 1HG THR 110 -9.121 -30.863 0.788 812 HG21 THR 110 3HG2 THR 110 -5.985 -30.328 2.250 813 HG22 THR 110 1HG2 THR 110 -6.925 -28.970 2.867 814 HG23 THR 110 2HG2 THR 110 -5.749 -28.715 1.577 815 H SER 111 H SER 111 -10.138 -26.681 0.436 816 HA SER 111 HA SER 111 -10.418 -26.256 3.255 817 HB2 SER 111 1HB SER 111 -11.744 -25.216 0.791 818 HB3 SER 111 2HB SER 111 -12.591 -25.040 2.328 819 HG SER 111 HG SER 111 -10.347 -23.756 1.394 820 H GLY 112 H GLY 112 -12.365 -27.863 0.756 821 HA2 GLY 112 1HA GLY 112 -13.246 -30.014 2.128 822 HA3 GLY 112 2HA GLY 112 -14.324 -28.747 2.693 823 HA PRO 113 HA PRO 113 -16.169 -30.670 -1.108 824 HB2 PRO 113 1HB PRO 113 -18.648 -30.969 -0.044 825 HB3 PRO 113 2HB PRO 113 -17.373 -32.180 0.137 826 HG2 PRO 113 1HG PRO 113 -18.272 -30.072 2.063 827 HG3 PRO 113 2HG PRO 113 -17.864 -31.769 2.373 828 HD2 PRO 113 1HD PRO 113 -16.144 -29.741 2.883 829 HD3 PRO 113 2HD PRO 113 -15.597 -31.354 2.381 830 H SER 114 H SER 114 -16.480 -27.860 0.697 831 HA SER 114 HA SER 114 -18.096 -26.625 -1.419 832 HB2 SER 114 1HB SER 114 -18.523 -26.327 1.558 833 HB3 SER 114 2HB SER 114 -19.199 -25.213 0.369 834 HG SER 114 HG SER 114 -19.625 -28.007 0.251 835 H SER 115 H SER 115 -17.222 -24.819 -2.204 836 HA SER 115 HA SER 115 -15.805 -22.913 -0.667 837 HB2 SER 115 1HB SER 115 -14.001 -24.500 -0.616 838 HB3 SER 115 2HB SER 115 -14.148 -24.806 -2.347 839 HG SER 115 HG SER 115 -12.985 -22.664 -1.005 840 H GLY 116 H GLY 116 -16.492 -21.134 -1.650 841 HA2 GLY 116 1HA GLY 116 -17.599 -20.851 -4.126 842 HA3 GLY 116 2HA GLY 116 -16.747 -19.551 -3.307 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -2.278 17.565 -16.198 2 HA2 GLY 1 1HA GLY 1 -4.240 17.874 -14.026 3 HA3 GLY 1 2HA GLY 1 -2.524 17.880 -13.646 4 H SER 2 H SER 2 -5.104 19.599 -15.293 5 HA SER 2 HA SER 2 -3.424 22.021 -15.241 6 HB2 SER 2 1HB SER 2 -5.499 21.179 -17.271 7 HB3 SER 2 2HB SER 2 -4.841 22.813 -17.180 8 HG SER 2 HG SER 2 -3.287 20.462 -17.522 9 H SER 3 H SER 3 -6.821 20.942 -15.303 10 HA SER 3 HA SER 3 -8.082 23.231 -14.501 11 HB2 SER 3 1HB SER 3 -9.102 20.946 -15.063 12 HB3 SER 3 2HB SER 3 -8.847 20.544 -13.366 13 HG SER 3 HG SER 3 -10.919 21.381 -13.645 14 H GLY 4 H GLY 4 -8.064 24.485 -12.752 15 HA2 GLY 4 1HA GLY 4 -6.455 23.694 -10.469 16 HA3 GLY 4 2HA GLY 4 -7.163 25.278 -10.750 17 H SER 5 H SER 5 -7.316 22.542 -8.878 18 HA SER 5 HA SER 5 -10.167 22.835 -8.278 19 HB2 SER 5 1HB SER 5 -9.934 20.754 -7.011 20 HB3 SER 5 2HB SER 5 -9.296 20.550 -8.642 21 HG SER 5 HG SER 5 -7.542 19.926 -7.684 22 H SER 6 H SER 6 -10.777 24.104 -6.669 23 HA SER 6 HA SER 6 -10.540 25.613 -4.938 24 HB2 SER 6 1HB SER 6 -10.295 24.473 -2.803 25 HB3 SER 6 2HB SER 6 -11.251 23.471 -3.895 26 HG SER 6 HG SER 6 -9.821 21.982 -3.570 27 H GLY 7 H GLY 7 -8.297 25.777 -6.607 28 HA2 GLY 7 1HA GLY 7 -6.069 26.380 -6.651 29 HA3 GLY 7 2HA GLY 7 -6.519 27.292 -5.218 30 HA PRO 8 HA PRO 8 -3.295 24.830 -3.373 31 HB2 PRO 8 1HB PRO 8 -3.404 26.032 -0.941 32 HB3 PRO 8 2HB PRO 8 -2.611 26.765 -2.341 33 HG2 PRO 8 1HG PRO 8 -5.338 27.286 -1.220 34 HG3 PRO 8 2HG PRO 8 -4.131 28.443 -1.810 35 HD2 PRO 8 1HD PRO 8 -6.254 27.664 -3.300 36 HD3 PRO 8 2HD PRO 8 -4.687 28.088 -4.019 37 H GLU 9 H GLU 9 -3.230 24.029 -0.830 38 HA GLU 9 HA GLU 9 -5.159 21.950 -0.736 39 HB2 GLU 9 1HB GLU 9 -3.321 22.850 1.486 40 HB3 GLU 9 2HB GLU 9 -4.088 21.277 1.323 41 HG2 GLU 9 1HG GLU 9 -1.874 22.440 -0.333 42 HG3 GLU 9 2HG GLU 9 -1.843 20.996 0.677 43 H ASN 10 H ASN 10 -7.161 22.010 0.021 44 HA ASN 10 HA ASN 10 -8.336 24.286 1.153 45 HB2 ASN 10 1HB ASN 10 -10.103 22.423 1.885 46 HB3 ASN 10 2HB ASN 10 -9.944 22.954 0.213 47 HD21 ASN 10 1HD2 ASN 10 -9.007 21.598 -1.293 48 HD22 ASN 10 2HD2 ASN 10 -8.734 19.920 -0.988 49 H ASP 11 H ASP 11 -6.849 24.818 2.870 50 HA ASP 11 HA ASP 11 -6.109 24.859 5.028 51 HB2 ASP 11 1HB ASP 11 -8.038 23.959 6.647 52 HB3 ASP 11 2HB ASP 11 -8.141 25.519 5.836 53 H LEU 12 H LEU 12 -4.902 22.834 3.880 54 HA LEU 12 HA LEU 12 -5.113 20.629 5.823 55 HB2 LEU 12 1HB LEU 12 -4.099 20.249 3.029 56 HB3 LEU 12 2HB LEU 12 -4.668 19.035 4.173 57 HG LEU 12 HG LEU 12 -6.561 21.069 3.054 58 HD11 LEU 12 1HD1 LEU 12 -6.049 20.309 1.002 59 HD12 LEU 12 2HD1 LEU 12 -7.012 18.915 1.490 60 HD13 LEU 12 3HD1 LEU 12 -5.254 18.860 1.619 61 HD21 LEU 12 3HD2 LEU 12 -6.764 18.331 4.269 62 HD22 LEU 12 1HD2 LEU 12 -8.086 19.040 3.341 63 HD23 LEU 12 2HD2 LEU 12 -7.510 19.837 4.805 64 H ASP 13 H ASP 13 -2.953 19.240 5.582 65 HA ASP 13 HA ASP 13 -0.672 21.098 5.535 66 HB2 ASP 13 1HB ASP 13 -1.537 20.490 7.879 67 HB3 ASP 13 2HB ASP 13 -0.901 18.879 7.559 68 H GLU 14 H GLU 14 0.512 20.454 3.855 69 HA GLU 14 HA GLU 14 0.770 17.590 3.292 70 HB2 GLU 14 1HB GLU 14 0.107 19.009 1.416 71 HB3 GLU 14 2HB GLU 14 1.541 20.001 1.639 72 HG2 GLU 14 1HG GLU 14 1.903 17.090 1.182 73 HG3 GLU 14 2HG GLU 14 1.434 18.104 -0.181 74 H SER 15 H SER 15 2.593 20.385 4.294 75 HA SER 15 HA SER 15 5.192 19.646 3.799 76 HB2 SER 15 1HB SER 15 4.190 21.746 5.011 77 HB3 SER 15 2HB SER 15 4.499 20.812 6.474 78 HG SER 15 HG SER 15 6.692 20.560 5.227 79 H GLN 16 H GLN 16 2.934 18.106 5.846 80 HA GLN 16 HA GLN 16 5.082 16.469 7.025 81 HB2 GLN 16 1HB GLN 16 3.743 16.119 8.966 82 HB3 GLN 16 2HB GLN 16 3.739 17.848 8.646 83 HG2 GLN 16 1HG GLN 16 1.536 17.762 7.759 84 HG3 GLN 16 2HG GLN 16 1.541 15.999 7.764 85 HE21 GLN 16 1HE2 GLN 16 0.414 18.634 9.330 86 HE22 GLN 16 2HE2 GLN 16 0.152 17.961 10.899 87 H VAL 17 H VAL 17 5.008 14.307 6.751 88 HA VAL 17 HA VAL 17 3.481 13.180 4.702 89 HB VAL 17 HB VAL 17 4.252 10.986 5.545 90 HG11 VAL 17 1HG1 VAL 17 5.966 13.260 4.900 91 HG12 VAL 17 2HG1 VAL 17 6.808 11.955 5.739 92 HG13 VAL 17 3HG1 VAL 17 5.948 11.628 4.234 93 HG21 VAL 17 3HG2 VAL 17 4.295 10.987 7.830 94 HG22 VAL 17 1HG2 VAL 17 5.999 11.305 7.505 95 HG23 VAL 17 2HG2 VAL 17 4.919 12.634 7.928 96 HA PRO 18 HA PRO 18 -0.401 12.206 6.518 97 HB2 PRO 18 1HB PRO 18 -1.063 9.991 5.095 98 HB3 PRO 18 2HB PRO 18 -1.089 11.619 4.406 99 HG2 PRO 18 1HG PRO 18 1.009 9.496 4.170 100 HG3 PRO 18 2HG PRO 18 0.361 10.573 2.919 101 HD2 PRO 18 1HD PRO 18 2.730 11.028 4.149 102 HD3 PRO 18 2HD PRO 18 1.680 12.343 3.581 103 H ASP 19 H ASP 19 -1.025 11.189 8.321 104 HA ASP 19 HA ASP 19 0.650 9.261 9.572 105 HB2 ASP 19 1HB ASP 19 -1.980 10.532 10.227 106 HB3 ASP 19 2HB ASP 19 -1.457 9.121 11.142 107 H GLN 20 H GLN 20 -0.148 7.152 10.392 108 HA GLN 20 HA GLN 20 -0.901 5.468 8.289 109 HB2 GLN 20 1HB GLN 20 -1.005 3.704 9.923 110 HB3 GLN 20 2HB GLN 20 0.343 4.759 10.327 111 HG2 GLN 20 1HG GLN 20 -1.482 5.913 11.847 112 HG3 GLN 20 2HG GLN 20 -2.216 4.313 11.756 113 HE21 GLN 20 1HE2 GLN 20 0.466 3.076 11.470 114 HE22 GLN 20 2HE2 GLN 20 1.130 3.067 13.065 115 HA PRO 21 HA PRO 21 -5.283 5.544 8.138 116 HB2 PRO 21 1HB PRO 21 -5.883 2.937 7.677 117 HB3 PRO 21 2HB PRO 21 -5.150 3.984 6.456 118 HG2 PRO 21 1HG PRO 21 -3.851 1.969 8.248 119 HG3 PRO 21 2HG PRO 21 -3.572 2.278 6.524 120 HD2 PRO 21 1HD PRO 21 -1.925 3.217 8.457 121 HD3 PRO 21 2HD PRO 21 -2.213 4.092 6.939 122 H SER 22 H SER 22 -6.612 5.845 9.802 123 HA SER 22 HA SER 22 -6.480 5.176 12.352 124 HB2 SER 22 1HB SER 22 -9.187 4.647 11.253 125 HB3 SER 22 2HB SER 22 -8.690 5.724 12.557 126 HG SER 22 HG SER 22 -8.596 6.164 9.769 127 H SER 23 H SER 23 -7.542 2.945 9.839 128 HA SER 23 HA SER 23 -6.846 0.692 11.499 129 HB2 SER 23 1HB SER 23 -9.669 0.727 10.458 130 HB3 SER 23 2HB SER 23 -8.958 -0.323 11.684 131 HG SER 23 HG SER 23 -9.755 1.065 13.040 132 H LEU 24 H LEU 24 -6.711 -1.280 10.329 133 HA LEU 24 HA LEU 24 -7.111 -1.112 7.434 134 HB2 LEU 24 1HB LEU 24 -4.883 -0.597 7.381 135 HB3 LEU 24 2HB LEU 24 -4.533 -1.479 8.866 136 HG LEU 24 HG LEU 24 -4.702 -3.598 7.616 137 HD11 LEU 24 1HD1 LEU 24 -4.682 -3.480 5.134 138 HD12 LEU 24 2HD1 LEU 24 -5.085 -1.768 5.253 139 HD13 LEU 24 3HD1 LEU 24 -6.210 -2.983 5.860 140 HD21 LEU 24 3HD2 LEU 24 -2.501 -3.313 7.512 141 HD22 LEU 24 1HD2 LEU 24 -2.679 -1.567 7.336 142 HD23 LEU 24 2HD2 LEU 24 -2.723 -2.606 5.911 143 H HIS 25 H HIS 25 -8.577 -2.683 7.176 144 HA HIS 25 HA HIS 25 -8.359 -5.168 8.672 145 HB2 HIS 25 1HB HIS 25 -10.564 -4.075 8.380 146 HB3 HIS 25 2HB HIS 25 -10.432 -4.311 6.640 147 HD1 HIS 25 1HD HIS 25 -12.410 -5.884 6.415 148 HD2 HIS 25 2HD HIS 25 -9.589 -7.187 9.174 149 HE1 HIS 25 1HE HIS 25 -13.068 -8.243 6.987 150 HE2 HIS 25 2HE HIS 25 -11.398 -8.980 8.722 151 H VAL 26 H VAL 26 -7.837 -7.130 7.831 152 HA VAL 26 HA VAL 26 -7.365 -7.350 4.949 153 HB VAL 26 HB VAL 26 -5.194 -8.435 5.298 154 HG11 VAL 26 1HG1 VAL 26 -5.779 -5.658 5.697 155 HG12 VAL 26 2HG1 VAL 26 -4.337 -6.105 6.610 156 HG13 VAL 26 3HG1 VAL 26 -4.409 -6.402 4.873 157 HG21 VAL 26 3HG2 VAL 26 -4.098 -8.117 7.555 158 HG22 VAL 26 1HG2 VAL 26 -5.704 -7.749 8.183 159 HG23 VAL 26 2HG2 VAL 26 -5.373 -9.333 7.482 160 H ARG 27 H ARG 27 -7.977 -9.260 4.123 161 HA ARG 27 HA ARG 27 -8.533 -11.458 6.006 162 HB2 ARG 27 1HB ARG 27 -10.212 -10.271 3.854 163 HB3 ARG 27 2HB ARG 27 -10.292 -12.013 4.078 164 HG2 ARG 27 1HG ARG 27 -10.683 -11.435 6.568 165 HG3 ARG 27 2HG ARG 27 -11.089 -9.831 5.955 166 HD2 ARG 27 1HD ARG 27 -12.847 -10.719 4.601 167 HD3 ARG 27 2HD ARG 27 -12.352 -12.375 4.952 168 HE ARG 27 HE ARG 27 -13.930 -10.637 6.626 169 HH11 ARG 27 1HH1 ARG 27 -11.896 -13.460 6.497 170 HH12 ARG 27 2HH1 ARG 27 -12.548 -14.156 7.943 171 HH21 ARG 27 1HH2 ARG 27 -14.797 -11.544 8.532 172 HH22 ARG 27 2HH2 ARG 27 -14.199 -13.066 9.099 173 HA PRO 28 HA PRO 28 -5.530 -13.331 3.212 174 HB2 PRO 28 1HB PRO 28 -5.053 -15.473 4.811 175 HB3 PRO 28 2HB PRO 28 -4.312 -13.891 5.078 176 HG2 PRO 28 1HG PRO 28 -6.688 -15.121 6.421 177 HG3 PRO 28 2HG PRO 28 -5.347 -14.207 7.137 178 HD2 PRO 28 1HD PRO 28 -7.766 -13.097 6.639 179 HD3 PRO 28 2HD PRO 28 -6.254 -12.172 6.545 180 H GLN 29 H GLN 29 -6.575 -14.141 1.474 181 HA GLN 29 HA GLN 29 -8.539 -16.273 1.832 182 HB2 GLN 29 1HB GLN 29 -7.758 -14.960 -0.765 183 HB3 GLN 29 2HB GLN 29 -9.228 -15.856 -0.405 184 HG2 GLN 29 1HG GLN 29 -8.525 -13.277 0.962 185 HG3 GLN 29 2HG GLN 29 -9.434 -13.345 -0.547 186 HE21 GLN 29 1HE2 GLN 29 -11.141 -12.306 0.622 187 HE22 GLN 29 2HE2 GLN 29 -12.194 -13.237 1.626 188 H THR 30 H THR 30 -8.433 -17.882 -0.183 189 HA THR 30 HA THR 30 -6.316 -19.616 0.281 190 HB THR 30 HB THR 30 -7.545 -19.690 -2.425 191 HG1 THR 30 1HG THR 30 -9.137 -20.557 -0.284 192 HG21 THR 30 3HG2 THR 30 -6.908 -21.653 -0.239 193 HG22 THR 30 1HG2 THR 30 -6.251 -21.574 -1.874 194 HG23 THR 30 2HG2 THR 30 -7.917 -22.093 -1.617 195 H ASN 31 H ASN 31 -6.821 -17.908 -2.810 196 HA ASN 31 HA ASN 31 -3.891 -17.750 -3.083 197 HB2 ASN 31 1HB ASN 31 -5.999 -17.948 -5.246 198 HB3 ASN 31 2HB ASN 31 -4.273 -17.747 -5.535 199 HD21 ASN 31 1HD2 ASN 31 -3.043 -19.434 -3.954 200 HD22 ASN 31 2HD2 ASN 31 -3.545 -21.065 -4.224 201 H CYS 32 H CYS 32 -5.853 -15.842 -1.849 202 HA CYS 32 HA CYS 32 -4.804 -13.462 -3.107 203 HB2 CYS 32 1HB CYS 32 -7.294 -12.543 -3.040 204 HB3 CYS 32 2HB CYS 32 -6.654 -13.364 -4.459 205 HG CYS 32 HG CYS 32 -9.013 -14.546 -4.416 206 H ILE 33 H ILE 33 -5.726 -11.459 -1.893 207 HA ILE 33 HA ILE 33 -6.537 -11.937 0.831 208 HB ILE 33 HB ILE 33 -3.829 -10.693 0.345 209 HG12 ILE 33 1HG1 ILE 33 -4.585 -13.402 1.457 210 HG13 ILE 33 2HG1 ILE 33 -3.698 -13.086 -0.030 211 HG21 ILE 33 1HG2 ILE 33 -4.662 -11.548 3.037 212 HG22 ILE 33 2HG2 ILE 33 -3.761 -10.122 2.524 213 HG23 ILE 33 3HG2 ILE 33 -5.518 -10.156 2.374 214 HD11 ILE 33 3HD1 ILE 33 -1.771 -12.488 1.100 215 HD12 ILE 33 1HD1 ILE 33 -2.634 -12.159 2.603 216 HD13 ILE 33 2HD1 ILE 33 -2.405 -13.823 2.063 217 H ILE 34 H ILE 34 -8.162 -10.503 0.809 218 HA ILE 34 HA ILE 34 -7.883 -7.925 -0.472 219 HB ILE 34 HB ILE 34 -10.149 -9.221 1.030 220 HG12 ILE 34 1HG1 ILE 34 -11.244 -8.989 -1.234 221 HG13 ILE 34 2HG1 ILE 34 -9.681 -8.478 -1.861 222 HG21 ILE 34 1HG2 ILE 34 -10.142 -6.811 1.493 223 HG22 ILE 34 2HG2 ILE 34 -10.128 -6.487 -0.240 224 HG23 ILE 34 3HG2 ILE 34 -11.517 -7.286 0.496 225 HD11 ILE 34 3HD1 ILE 34 -10.197 -11.120 -0.522 226 HD12 ILE 34 1HD1 ILE 34 -10.187 -10.859 -2.266 227 HD13 ILE 34 2HD1 ILE 34 -8.715 -10.606 -1.328 228 H MET 35 H MET 35 -7.643 -5.974 0.501 229 HA MET 35 HA MET 35 -7.618 -5.874 3.434 230 HB2 MET 35 1HB MET 35 -5.583 -4.267 3.088 231 HB3 MET 35 2HB MET 35 -5.332 -6.007 3.124 232 HG2 MET 35 1HG MET 35 -5.245 -6.083 0.713 233 HG3 MET 35 2HG MET 35 -5.610 -4.362 0.621 234 HE1 MET 35 3HE MET 35 -2.399 -2.703 2.031 235 HE2 MET 35 1HE MET 35 -3.917 -2.441 1.171 236 HE3 MET 35 2HE MET 35 -3.935 -3.028 2.834 237 H SER 36 H SER 36 -8.760 -4.220 4.198 238 HA SER 36 HA SER 36 -9.230 -1.909 2.432 239 HB2 SER 36 1HB SER 36 -11.309 -3.028 2.487 240 HB3 SER 36 2HB SER 36 -11.158 -3.402 4.204 241 HG SER 36 HG SER 36 -12.316 -1.295 3.077 242 H TRP 37 H TRP 37 -8.340 -0.134 3.226 243 HA TRP 37 HA TRP 37 -8.123 0.149 6.151 244 HB2 TRP 37 1HB TRP 37 -6.202 1.639 5.720 245 HB3 TRP 37 2HB TRP 37 -5.942 0.023 5.068 246 HD1 TRP 37 HD TRP 37 -6.097 3.640 4.058 247 HE1 TRP 37 1HE TRP 37 -5.638 3.853 1.535 248 HE3 TRP 37 3HE TRP 37 -6.355 -1.300 2.767 249 HZ2 TRP 37 2HZ TRP 37 -5.415 2.152 -0.707 250 HZ3 TRP 37 3HZ TRP 37 -6.008 -1.922 0.412 251 HH2 TRP 37 HH TRP 37 -5.548 -0.231 -1.288 252 H THR 38 H THR 38 -7.705 2.702 6.570 253 HA THR 38 HA THR 38 -9.780 4.205 5.131 254 HB THR 38 HB THR 38 -10.075 5.202 7.645 255 HG1 THR 38 1HG THR 38 -10.407 3.036 8.813 256 HG21 THR 38 3HG2 THR 38 -11.822 2.920 7.274 257 HG22 THR 38 1HG2 THR 38 -11.620 3.834 5.780 258 HG23 THR 38 2HG2 THR 38 -12.199 4.642 7.237 259 HA PRO 39 HA PRO 39 -7.054 7.644 5.178 260 HB2 PRO 39 1HB PRO 39 -8.679 9.737 5.767 261 HB3 PRO 39 2HB PRO 39 -8.724 8.893 4.215 262 HG2 PRO 39 1HG PRO 39 -10.513 8.577 6.594 263 HG3 PRO 39 2HG PRO 39 -10.940 8.646 4.874 264 HD2 PRO 39 1HD PRO 39 -10.782 6.316 6.244 265 HD3 PRO 39 2HD PRO 39 -10.383 6.438 4.519 266 HA PRO 40 HA PRO 40 -5.591 8.751 9.174 267 HB2 PRO 40 1HB PRO 40 -4.782 11.322 8.852 268 HB3 PRO 40 2HB PRO 40 -3.920 9.948 8.149 269 HG2 PRO 40 1HG PRO 40 -5.871 11.820 6.863 270 HG3 PRO 40 2HG PRO 40 -4.339 11.190 6.228 271 HD2 PRO 40 1HD PRO 40 -6.743 10.173 5.507 272 HD3 PRO 40 2HD PRO 40 -5.277 9.177 5.612 273 H LEU 41 H LEU 41 -6.528 9.294 11.046 274 HA LEU 41 HA LEU 41 -9.051 10.306 11.328 275 HB2 LEU 41 1HB LEU 41 -6.695 10.319 13.180 276 HB3 LEU 41 2HB LEU 41 -8.240 11.008 13.673 277 HG LEU 41 HG LEU 41 -8.165 8.206 12.649 278 HD11 LEU 41 1HD1 LEU 41 -7.814 8.576 15.555 279 HD12 LEU 41 2HD1 LEU 41 -6.386 8.832 14.553 280 HD13 LEU 41 3HD1 LEU 41 -7.240 7.290 14.494 281 HD21 LEU 41 3HD2 LEU 41 -10.054 7.937 14.091 282 HD22 LEU 41 1HD2 LEU 41 -10.285 9.416 13.158 283 HD23 LEU 41 2HD2 LEU 41 -9.770 9.507 14.843 284 H ASN 42 H ASN 42 -6.216 12.038 10.541 285 HA ASN 42 HA ASN 42 -7.443 14.605 11.255 286 HB2 ASN 42 1HB ASN 42 -4.917 13.812 11.693 287 HB3 ASN 42 2HB ASN 42 -4.713 14.501 10.085 288 HD21 ASN 42 1HD2 ASN 42 -4.913 16.691 9.790 289 HD22 ASN 42 2HD2 ASN 42 -4.996 17.811 11.103 290 HA PRO 43 HA PRO 43 -8.560 14.536 6.855 291 HB2 PRO 43 1HB PRO 43 -10.525 16.391 7.115 292 HB3 PRO 43 2HB PRO 43 -10.763 14.681 7.491 293 HG2 PRO 43 1HG PRO 43 -10.215 16.969 9.342 294 HG3 PRO 43 2HG PRO 43 -11.364 15.631 9.527 295 HD2 PRO 43 1HD PRO 43 -8.961 15.669 10.773 296 HD3 PRO 43 2HD PRO 43 -9.735 14.164 10.239 297 H ASN 44 H ASN 44 -6.991 16.722 8.799 298 HA ASN 44 HA ASN 44 -7.003 18.905 6.863 299 HB2 ASN 44 1HB ASN 44 -5.601 18.694 9.537 300 HB3 ASN 44 2HB ASN 44 -5.721 20.143 8.544 301 HD21 ASN 44 1HD2 ASN 44 -7.663 17.744 10.254 302 HD22 ASN 44 2HD2 ASN 44 -8.957 18.816 10.655 303 H ILE 45 H ILE 45 -5.587 16.100 6.792 304 HA ILE 45 HA ILE 45 -2.925 17.121 6.053 305 HB ILE 45 HB ILE 45 -3.730 14.312 6.816 306 HG12 ILE 45 1HG1 ILE 45 -3.648 15.733 8.762 307 HG13 ILE 45 2HG1 ILE 45 -2.202 14.730 8.753 308 HG21 ILE 45 1HG2 ILE 45 -0.918 14.693 6.812 309 HG22 ILE 45 2HG2 ILE 45 -1.882 13.600 5.820 310 HG23 ILE 45 3HG2 ILE 45 -1.547 15.237 5.257 311 HD11 ILE 45 3HD1 ILE 45 -2.403 17.625 7.969 312 HD12 ILE 45 1HD1 ILE 45 -1.610 16.955 9.395 313 HD13 ILE 45 2HD1 ILE 45 -0.953 16.638 7.789 314 H VAL 46 H VAL 46 -2.099 16.715 4.049 315 HA VAL 46 HA VAL 46 -3.983 15.986 1.992 316 HB VAL 46 HB VAL 46 -1.084 16.813 1.865 317 HG11 VAL 46 1HG1 VAL 46 -2.968 16.387 -0.450 318 HG12 VAL 46 2HG1 VAL 46 -1.277 16.885 -0.530 319 HG13 VAL 46 3HG1 VAL 46 -1.695 15.263 0.023 320 HG21 VAL 46 3HG2 VAL 46 -1.870 18.911 1.130 321 HG22 VAL 46 1HG2 VAL 46 -3.501 18.295 0.865 322 HG23 VAL 46 2HG2 VAL 46 -2.886 18.485 2.507 323 H VAL 47 H VAL 47 -4.067 14.139 0.833 324 HA VAL 47 HA VAL 47 -1.997 12.103 1.327 325 HB VAL 47 HB VAL 47 -4.956 11.531 1.119 326 HG11 VAL 47 1HG1 VAL 47 -4.006 9.581 0.406 327 HG12 VAL 47 2HG1 VAL 47 -2.512 9.849 1.306 328 HG13 VAL 47 3HG1 VAL 47 -3.964 9.307 2.148 329 HG21 VAL 47 3HG2 VAL 47 -4.594 12.618 3.209 330 HG22 VAL 47 1HG2 VAL 47 -4.717 10.889 3.534 331 HG23 VAL 47 2HG2 VAL 47 -3.138 11.673 3.518 332 H ARG 48 H ARG 48 -1.072 11.456 -0.493 333 HA ARG 48 HA ARG 48 -2.469 11.898 -3.032 334 HB2 ARG 48 1HB ARG 48 0.425 11.129 -2.731 335 HB3 ARG 48 2HB ARG 48 -0.360 11.922 -4.091 336 HG2 ARG 48 1HG ARG 48 0.112 13.141 -1.378 337 HG3 ARG 48 2HG ARG 48 1.047 13.466 -2.840 338 HD2 ARG 48 1HD ARG 48 -1.859 13.816 -3.109 339 HD3 ARG 48 2HD ARG 48 -1.071 14.942 -2.004 340 HE ARG 48 HE ARG 48 0.049 15.891 -3.795 341 HH11 ARG 48 1HH1 ARG 48 -1.696 13.053 -4.805 342 HH12 ARG 48 2HH1 ARG 48 -1.512 13.382 -6.496 343 HH21 ARG 48 1HH2 ARG 48 0.296 16.336 -6.018 344 HH22 ARG 48 2HH2 ARG 48 -0.378 15.250 -7.185 345 H GLY 49 H GLY 49 -1.741 9.440 -0.855 346 HA2 GLY 49 1HA GLY 49 -3.031 7.380 -1.964 347 HA3 GLY 49 2HA GLY 49 -1.512 7.334 -2.846 348 H TYR 50 H TYR 50 -1.647 5.122 -1.750 349 HA TYR 50 HA TYR 50 -0.114 5.288 0.748 350 HB2 TYR 50 1HB TYR 50 -2.023 3.024 0.464 351 HB3 TYR 50 2HB TYR 50 -1.459 3.844 1.916 352 HD1 TYR 50 2HD TYR 50 -3.806 4.074 -0.929 353 HD2 TYR 50 1HD TYR 50 -2.677 5.656 2.856 354 HE1 TYR 50 2HE TYR 50 -5.903 5.356 -0.846 355 HE2 TYR 50 1HE TYR 50 -4.772 6.941 2.950 356 HH TYR 50 HH TYR 50 -6.464 7.857 0.864 357 H ILE 51 H ILE 51 1.096 3.292 1.221 358 HA ILE 51 HA ILE 51 1.903 1.943 -1.271 359 HB ILE 51 HB ILE 51 3.568 2.366 1.213 360 HG12 ILE 51 1HG1 ILE 51 3.957 3.697 -1.464 361 HG13 ILE 51 2HG1 ILE 51 2.975 4.426 -0.198 362 HG21 ILE 51 1HG2 ILE 51 3.880 0.717 -1.156 363 HG22 ILE 51 2HG2 ILE 51 5.235 1.818 -0.918 364 HG23 ILE 51 3HG2 ILE 51 4.776 0.696 0.363 365 HD11 ILE 51 3HD1 ILE 51 5.007 4.234 1.294 366 HD12 ILE 51 1HD1 ILE 51 5.918 3.852 -0.167 367 HD13 ILE 51 2HD1 ILE 51 5.097 5.407 -0.020 368 H ILE 52 H ILE 52 1.062 -0.031 -1.370 369 HA ILE 52 HA ILE 52 0.511 -1.536 1.054 370 HB ILE 52 HB ILE 52 -0.031 -2.179 -1.845 371 HG12 ILE 52 1HG1 ILE 52 -1.944 -1.469 0.386 372 HG13 ILE 52 2HG1 ILE 52 -1.353 -0.320 -0.809 373 HG21 ILE 52 1HG2 ILE 52 0.365 -4.175 -0.372 374 HG22 ILE 52 2HG2 ILE 52 -1.040 -3.671 0.565 375 HG23 ILE 52 3HG2 ILE 52 -1.224 -4.107 -1.134 376 HD11 ILE 52 3HD1 ILE 52 -2.301 -2.017 -2.523 377 HD12 ILE 52 1HD1 ILE 52 -3.239 -2.602 -1.149 378 HD13 ILE 52 2HD1 ILE 52 -3.393 -0.925 -1.673 379 H GLY 53 H GLY 53 2.312 -2.404 1.925 380 HA2 GLY 53 1HA GLY 53 4.160 -3.839 0.132 381 HA3 GLY 53 2HA GLY 53 4.573 -3.226 1.727 382 H TYR 54 H TYR 54 3.197 -5.832 -0.073 383 HA TYR 54 HA TYR 54 2.785 -7.340 2.424 384 HB2 TYR 54 1HB TYR 54 1.206 -8.730 1.232 385 HB3 TYR 54 2HB TYR 54 0.760 -7.042 1.008 386 HD1 TYR 54 1HD TYR 54 1.638 -5.911 -1.171 387 HD2 TYR 54 2HD TYR 54 1.376 -10.122 -0.617 388 HE1 TYR 54 1HE TYR 54 1.652 -6.227 -3.610 389 HE2 TYR 54 2HE TYR 54 1.391 -10.449 -3.055 390 HH TYR 54 HH TYR 54 0.937 -7.903 -5.254 391 H GLY 55 H GLY 55 3.227 -9.702 2.249 392 HA2 GLY 55 1HA GLY 55 4.646 -10.998 0.305 393 HA3 GLY 55 2HA GLY 55 5.867 -10.096 1.190 394 H VAL 56 H VAL 56 5.049 -13.056 0.891 395 HA VAL 56 HA VAL 56 4.202 -13.997 3.402 396 HB VAL 56 HB VAL 56 4.199 -15.365 1.333 397 HG11 VAL 56 1HG1 VAL 56 6.158 -16.302 0.421 398 HG12 VAL 56 2HG1 VAL 56 6.520 -14.590 0.650 399 HG13 VAL 56 3HG1 VAL 56 7.140 -15.785 1.791 400 HG21 VAL 56 3HG2 VAL 56 4.012 -16.400 3.557 401 HG22 VAL 56 1HG2 VAL 56 4.818 -17.457 2.398 402 HG23 VAL 56 2HG2 VAL 56 5.765 -16.587 3.605 403 H GLY 57 H GLY 57 5.206 -13.830 5.290 404 HA2 GLY 57 1HA GLY 57 6.921 -14.189 6.831 405 HA3 GLY 57 2HA GLY 57 8.032 -14.456 5.495 406 H SER 58 H SER 58 7.134 -11.907 4.216 407 HA SER 58 HA SER 58 7.984 -9.850 6.066 408 HB2 SER 58 1HB SER 58 9.628 -10.067 3.572 409 HB3 SER 58 2HB SER 58 10.020 -9.289 5.105 410 HG SER 58 HG SER 58 11.076 -11.385 4.580 411 HA PRO 59 HA PRO 59 5.102 -7.728 3.449 412 HB2 PRO 59 1HB PRO 59 5.365 -5.286 4.606 413 HB3 PRO 59 2HB PRO 59 4.455 -6.607 5.348 414 HG2 PRO 59 1HG PRO 59 7.245 -5.680 5.910 415 HG3 PRO 59 2HG PRO 59 5.973 -6.155 7.050 416 HD2 PRO 59 1HD PRO 59 7.996 -7.814 6.350 417 HD3 PRO 59 2HD PRO 59 6.371 -8.406 6.751 418 H TYR 60 H TYR 60 8.253 -7.793 3.057 419 HA TYR 60 HA TYR 60 8.367 -5.419 1.317 420 HB2 TYR 60 1HB TYR 60 10.796 -6.940 2.214 421 HB3 TYR 60 2HB TYR 60 10.674 -5.269 1.675 422 HD1 TYR 60 1HD TYR 60 9.029 -3.804 3.238 423 HD2 TYR 60 2HD TYR 60 11.173 -7.270 4.459 424 HE1 TYR 60 1HE TYR 60 8.895 -3.055 5.577 425 HE2 TYR 60 2HE TYR 60 11.044 -6.531 6.802 426 HH TYR 60 HH TYR 60 9.182 -4.803 8.087 427 H ALA 61 H ALA 61 7.294 -8.192 0.804 428 HA ALA 61 HA ALA 61 9.130 -9.255 -1.178 429 HB1 ALA 61 3HB ALA 61 6.338 -10.247 -0.739 430 HB2 ALA 61 1HB ALA 61 7.764 -11.133 -1.278 431 HB3 ALA 61 2HB ALA 61 7.626 -10.623 0.405 432 H GLU 62 H GLU 62 6.150 -7.418 -1.040 433 HA GLU 62 HA GLU 62 6.445 -6.741 -3.846 434 HB2 GLU 62 1HB GLU 62 4.080 -8.240 -2.750 435 HB3 GLU 62 2HB GLU 62 3.925 -7.200 -4.159 436 HG2 GLU 62 1HG GLU 62 5.866 -9.488 -3.951 437 HG3 GLU 62 2HG GLU 62 4.270 -9.598 -4.690 438 H THR 63 H THR 63 5.994 -4.658 -4.163 439 HA THR 63 HA THR 63 4.381 -3.262 -2.127 440 HB THR 63 HB THR 63 5.877 -1.262 -3.223 441 HG1 THR 63 1HG THR 63 7.770 -3.313 -2.809 442 HG21 THR 63 3HG2 THR 63 6.047 -2.910 -0.767 443 HG22 THR 63 1HG2 THR 63 5.812 -1.173 -0.950 444 HG23 THR 63 2HG2 THR 63 7.424 -1.867 -1.122 445 H VAL 64 H VAL 64 2.762 -1.961 -2.807 446 HA VAL 64 HA VAL 64 2.570 -1.302 -5.657 447 HB VAL 64 HB VAL 64 0.542 -2.838 -4.065 448 HG11 VAL 64 1HG1 VAL 64 0.024 -0.696 -5.989 449 HG12 VAL 64 2HG1 VAL 64 -0.780 -2.219 -6.372 450 HG13 VAL 64 3HG1 VAL 64 -1.050 -1.447 -4.809 451 HG21 VAL 64 3HG2 VAL 64 1.779 -4.298 -5.363 452 HG22 VAL 64 1HG2 VAL 64 0.407 -3.947 -6.414 453 HG23 VAL 64 2HG2 VAL 64 1.953 -3.142 -6.684 454 H ARG 65 H ARG 65 2.466 0.841 -5.708 455 HA ARG 65 HA ARG 65 1.298 2.325 -3.503 456 HB2 ARG 65 1HB ARG 65 3.023 2.960 -5.833 457 HB3 ARG 65 2HB ARG 65 1.976 4.247 -5.251 458 HG2 ARG 65 1HG ARG 65 3.110 4.482 -3.298 459 HG3 ARG 65 2HG ARG 65 3.579 2.781 -3.239 460 HD2 ARG 65 1HD ARG 65 4.985 3.461 -5.368 461 HD3 ARG 65 2HD ARG 65 4.863 5.066 -4.648 462 HE ARG 65 HE ARG 65 5.705 3.117 -2.749 463 HH11 ARG 65 1HH1 ARG 65 6.803 5.098 -5.393 464 HH12 ARG 65 2HH1 ARG 65 8.447 5.145 -4.846 465 HH21 ARG 65 1HH2 ARG 65 7.865 3.171 -2.019 466 HH22 ARG 65 2HH2 ARG 65 9.050 4.048 -2.927 467 H VAL 66 H VAL 66 -0.829 2.611 -3.465 468 HA VAL 66 HA VAL 66 -2.299 2.821 -5.994 469 HB VAL 66 HB VAL 66 -4.321 2.673 -4.392 470 HG11 VAL 66 1HG1 VAL 66 -2.463 0.327 -4.772 471 HG12 VAL 66 2HG1 VAL 66 -4.174 0.217 -4.354 472 HG13 VAL 66 3HG1 VAL 66 -3.686 0.891 -5.910 473 HG21 VAL 66 3HG2 VAL 66 -4.030 2.175 -2.213 474 HG22 VAL 66 1HG2 VAL 66 -2.616 1.168 -2.525 475 HG23 VAL 66 2HG2 VAL 66 -2.450 2.922 -2.453 476 H ASP 67 H ASP 67 -4.292 4.316 -5.816 477 HA ASP 67 HA ASP 67 -3.305 6.967 -5.326 478 HB2 ASP 67 1HB ASP 67 -6.163 6.308 -5.992 479 HB3 ASP 67 2HB ASP 67 -5.231 7.738 -6.427 480 H SER 68 H SER 68 -4.643 8.582 -4.123 481 HA SER 68 HA SER 68 -5.008 7.689 -1.438 482 HB2 SER 68 1HB SER 68 -4.201 9.876 -1.568 483 HB3 SER 68 2HB SER 68 -5.325 10.320 -2.853 484 HG SER 68 HG SER 68 -6.324 11.190 -1.189 485 H LYS 69 H LYS 69 -6.924 7.221 -3.997 486 HA LYS 69 HA LYS 69 -9.452 7.751 -2.615 487 HB2 LYS 69 1HB LYS 69 -9.508 8.528 -4.851 488 HB3 LYS 69 2HB LYS 69 -8.767 7.056 -5.464 489 HG2 LYS 69 1HG LYS 69 -10.751 5.808 -5.123 490 HG3 LYS 69 2HG LYS 69 -11.487 7.111 -4.186 491 HD2 LYS 69 1HD LYS 69 -12.507 7.384 -6.237 492 HD3 LYS 69 2HD LYS 69 -11.141 8.494 -6.374 493 HE2 LYS 69 1HE LYS 69 -9.922 6.981 -7.714 494 HE3 LYS 69 2HE LYS 69 -11.005 5.645 -7.325 495 HZ1 LYS 69 3HZ LYS 69 -11.317 6.642 -9.576 496 HZ2 LYS 69 1HZ LYS 69 -11.869 8.053 -8.824 497 HZ3 LYS 69 2HZ LYS 69 -12.716 6.603 -8.627 498 H GLN 70 H GLN 70 -7.404 5.155 -3.730 499 HA GLN 70 HA GLN 70 -9.236 3.034 -3.554 500 HB2 GLN 70 1HB GLN 70 -6.287 2.830 -2.957 501 HB3 GLN 70 2HB GLN 70 -7.347 1.578 -3.592 502 HG2 GLN 70 1HG GLN 70 -6.344 4.035 -4.996 503 HG3 GLN 70 2HG GLN 70 -6.017 2.347 -5.387 504 HE21 GLN 70 1HE2 GLN 70 -8.735 4.595 -5.021 505 HE22 GLN 70 2HE2 GLN 70 -9.648 3.978 -6.351 506 H ARG 71 H ARG 71 -10.359 2.452 -1.825 507 HA ARG 71 HA ARG 71 -9.234 2.897 0.842 508 HB2 ARG 71 1HB ARG 71 -11.386 3.803 0.755 509 HB3 ARG 71 2HB ARG 71 -12.013 2.469 -0.204 510 HG2 ARG 71 1HG ARG 71 -12.237 1.080 1.628 511 HG3 ARG 71 2HG ARG 71 -11.064 1.987 2.585 512 HD2 ARG 71 1HD ARG 71 -12.981 2.721 3.571 513 HD3 ARG 71 2HD ARG 71 -12.859 3.911 2.276 514 HE ARG 71 HE ARG 71 -14.695 2.960 1.254 515 HH11 ARG 71 1HH1 ARG 71 -13.616 0.954 3.886 516 HH12 ARG 71 2HH1 ARG 71 -15.026 -0.053 3.869 517 HH21 ARG 71 1HH2 ARG 71 -16.556 1.642 1.221 518 HH22 ARG 71 2HH2 ARG 71 -16.697 0.339 2.352 519 H TYR 72 H TYR 72 -9.233 0.506 -1.376 520 HA TYR 72 HA TYR 72 -8.482 -1.495 0.499 521 HB2 TYR 72 1HB TYR 72 -10.273 -2.926 0.522 522 HB3 TYR 72 2HB TYR 72 -11.136 -1.398 0.382 523 HD1 TYR 72 1HD TYR 72 -12.198 -0.756 -1.720 524 HD2 TYR 72 2HD TYR 72 -10.181 -4.482 -1.329 525 HE1 TYR 72 1HE TYR 72 -13.278 -1.551 -3.781 526 HE2 TYR 72 2HE TYR 72 -11.255 -5.286 -3.390 527 HH TYR 72 HH TYR 72 -13.690 -4.463 -4.636 528 H TYR 73 H TYR 73 -7.535 -3.310 -0.486 529 HA TYR 73 HA TYR 73 -7.417 -3.312 -3.415 530 HB2 TYR 73 1HB TYR 73 -5.462 -2.038 -2.514 531 HB3 TYR 73 2HB TYR 73 -4.959 -3.494 -1.662 532 HD1 TYR 73 2HD TYR 73 -4.482 -5.581 -3.080 533 HD2 TYR 73 1HD TYR 73 -4.789 -1.667 -4.720 534 HE1 TYR 73 2HE TYR 73 -3.250 -6.327 -5.074 535 HE2 TYR 73 1HE TYR 73 -3.559 -2.403 -6.719 536 HH TYR 73 HH TYR 73 -2.608 -4.108 -7.773 537 H SER 74 H SER 74 -7.623 -5.287 -4.246 538 HA SER 74 HA SER 74 -7.546 -7.572 -2.420 539 HB2 SER 74 1HB SER 74 -8.566 -7.494 -5.267 540 HB3 SER 74 2HB SER 74 -8.851 -8.754 -4.067 541 HG SER 74 HG SER 74 -10.551 -7.073 -4.435 542 H ILE 75 H ILE 75 -5.502 -8.303 -2.249 543 HA ILE 75 HA ILE 75 -3.701 -8.376 -4.488 544 HB ILE 75 HB ILE 75 -3.338 -9.735 -1.819 545 HG12 ILE 75 1HG1 ILE 75 -2.502 -6.935 -2.602 546 HG13 ILE 75 2HG1 ILE 75 -3.884 -7.310 -1.578 547 HG21 ILE 75 1HG2 ILE 75 -1.506 -8.961 -4.061 548 HG22 ILE 75 2HG2 ILE 75 -0.899 -9.195 -2.423 549 HG23 ILE 75 3HG2 ILE 75 -1.692 -10.525 -3.267 550 HD11 ILE 75 3HD1 ILE 75 -2.245 -8.479 -0.045 551 HD12 ILE 75 1HD1 ILE 75 -0.972 -7.709 -0.991 552 HD13 ILE 75 2HD1 ILE 75 -2.146 -6.720 -0.123 553 H GLU 76 H GLU 76 -3.689 -9.891 -5.999 554 HA GLU 76 HA GLU 76 -4.655 -12.586 -5.298 555 HB2 GLU 76 1HB GLU 76 -4.741 -11.262 -8.014 556 HB3 GLU 76 2HB GLU 76 -5.390 -12.843 -7.602 557 HG2 GLU 76 1HG GLU 76 -6.756 -11.419 -5.842 558 HG3 GLU 76 2HG GLU 76 -6.456 -10.141 -7.018 559 H ARG 77 H ARG 77 -3.818 -14.183 -7.144 560 HA ARG 77 HA ARG 77 -2.054 -15.319 -8.027 561 HB2 ARG 77 1HB ARG 77 -0.612 -12.664 -8.047 562 HB3 ARG 77 2HB ARG 77 -0.213 -14.090 -8.995 563 HG2 ARG 77 1HG ARG 77 -2.764 -12.512 -9.257 564 HG3 ARG 77 2HG ARG 77 -1.351 -12.337 -10.299 565 HD2 ARG 77 1HD ARG 77 -2.787 -13.765 -11.478 566 HD3 ARG 77 2HD ARG 77 -1.586 -14.834 -10.755 567 HE ARG 77 HE ARG 77 -3.952 -14.493 -9.156 568 HH11 ARG 77 1HH1 ARG 77 -2.472 -16.296 -11.740 569 HH12 ARG 77 2HH1 ARG 77 -3.481 -17.688 -11.521 570 HH21 ARG 77 1HH2 ARG 77 -5.286 -16.319 -8.858 571 HH22 ARG 77 2HH2 ARG 77 -5.081 -17.699 -9.882 572 H LEU 78 H LEU 78 -2.375 -15.227 -5.230 573 HA LEU 78 HA LEU 78 0.410 -15.244 -4.274 574 HB2 LEU 78 1HB LEU 78 -2.101 -15.121 -2.615 575 HB3 LEU 78 2HB LEU 78 -0.443 -14.938 -2.047 576 HG LEU 78 HG LEU 78 -1.789 -13.008 -3.932 577 HD11 LEU 78 1HD1 LEU 78 -1.978 -13.304 -1.026 578 HD12 LEU 78 2HD1 LEU 78 -3.009 -12.420 -2.150 579 HD13 LEU 78 3HD1 LEU 78 -1.513 -11.691 -1.566 580 HD21 LEU 78 3HD2 LEU 78 0.889 -13.380 -3.245 581 HD22 LEU 78 1HD2 LEU 78 0.353 -11.999 -2.288 582 HD23 LEU 78 2HD2 LEU 78 0.176 -11.976 -4.043 583 H GLU 79 H GLU 79 0.813 -16.883 -2.505 584 HA GLU 79 HA GLU 79 -0.036 -19.475 -3.476 585 HB2 GLU 79 1HB GLU 79 1.653 -20.387 -2.024 586 HB3 GLU 79 2HB GLU 79 2.330 -19.001 -2.866 587 HG2 GLU 79 1HG GLU 79 1.764 -17.645 -0.807 588 HG3 GLU 79 2HG GLU 79 1.452 -19.183 -0.003 589 H SER 80 H SER 80 -0.240 -21.147 -1.489 590 HA SER 80 HA SER 80 -2.350 -20.068 0.264 591 HB2 SER 80 1HB SER 80 -2.874 -21.810 -1.684 592 HB3 SER 80 2HB SER 80 -2.345 -22.962 -0.458 593 HG SER 80 HG SER 80 -3.929 -21.443 0.847 594 H SER 81 H SER 81 -2.597 -21.114 2.332 595 HA SER 81 HA SER 81 -1.758 -21.780 4.342 596 HB2 SER 81 1HB SER 81 -1.821 -23.964 3.044 597 HB3 SER 81 2HB SER 81 -0.094 -23.745 2.760 598 HG SER 81 HG SER 81 0.293 -23.951 4.910 599 H SER 82 H SER 82 -0.587 -19.531 3.694 600 HA SER 82 HA SER 82 2.093 -19.827 4.753 601 HB2 SER 82 1HB SER 82 1.852 -18.173 2.262 602 HB3 SER 82 2HB SER 82 3.289 -18.897 2.984 603 HG SER 82 HG SER 82 2.943 -20.631 1.857 604 H HIS 83 H HIS 83 2.641 -18.157 6.038 605 HA HIS 83 HA HIS 83 0.677 -16.185 6.652 606 HB2 HIS 83 1HB HIS 83 2.046 -17.000 8.439 607 HB3 HIS 83 2HB HIS 83 3.524 -16.580 7.579 608 HD1 HIS 83 1HD HIS 83 4.431 -14.985 9.331 609 HD2 HIS 83 2HD HIS 83 0.608 -13.995 8.039 610 HE1 HIS 83 1HE HIS 83 3.973 -12.699 10.274 611 HE2 HIS 83 2HE HIS 83 1.623 -12.157 9.550 612 H TYR 84 H TYR 84 0.361 -14.293 5.698 613 HA TYR 84 HA TYR 84 2.572 -13.120 4.143 614 HB2 TYR 84 1HB TYR 84 -0.321 -13.429 3.583 615 HB3 TYR 84 2HB TYR 84 0.404 -11.899 3.101 616 HD1 TYR 84 1HD TYR 84 1.232 -15.546 2.915 617 HD2 TYR 84 2HD TYR 84 1.175 -11.779 0.936 618 HE1 TYR 84 1HE TYR 84 2.105 -16.610 0.877 619 HE2 TYR 84 2HE TYR 84 2.046 -12.833 -1.108 620 HH TYR 84 HH TYR 84 1.922 -15.420 -2.042 621 H VAL 85 H VAL 85 3.414 -11.372 5.044 622 HA VAL 85 HA VAL 85 1.932 -9.879 7.044 623 HB VAL 85 HB VAL 85 4.697 -9.218 6.062 624 HG11 VAL 85 1HG1 VAL 85 3.198 -8.755 8.632 625 HG12 VAL 85 2HG1 VAL 85 4.929 -8.467 8.447 626 HG13 VAL 85 3HG1 VAL 85 3.772 -7.547 7.483 627 HG21 VAL 85 3HG2 VAL 85 4.977 -11.475 6.575 628 HG22 VAL 85 1HG2 VAL 85 5.413 -10.655 8.074 629 HG23 VAL 85 2HG2 VAL 85 3.828 -11.413 7.912 630 H ILE 86 H ILE 86 0.714 -8.193 6.541 631 HA ILE 86 HA ILE 86 1.258 -6.743 4.042 632 HB ILE 86 HB ILE 86 -1.273 -6.687 5.685 633 HG12 ILE 86 1HG1 ILE 86 -1.055 -8.086 3.051 634 HG13 ILE 86 2HG1 ILE 86 -0.489 -8.911 4.499 635 HG21 ILE 86 1HG2 ILE 86 -1.580 -4.846 4.434 636 HG22 ILE 86 2HG2 ILE 86 -0.338 -5.306 3.271 637 HG23 ILE 86 3HG2 ILE 86 -1.956 -5.998 3.153 638 HD11 ILE 86 3HD1 ILE 86 -2.881 -8.126 5.373 639 HD12 ILE 86 1HD1 ILE 86 -3.230 -8.235 3.648 640 HD13 ILE 86 2HD1 ILE 86 -2.619 -9.644 4.515 641 H SER 87 H SER 87 2.060 -4.756 4.138 642 HA SER 87 HA SER 87 1.697 -3.207 6.617 643 HB2 SER 87 1HB SER 87 3.947 -2.343 6.416 644 HB3 SER 87 2HB SER 87 4.020 -4.105 6.375 645 HG SER 87 HG SER 87 3.805 -3.548 3.916 646 H LEU 88 H LEU 88 0.172 -1.776 6.005 647 HA LEU 88 HA LEU 88 0.532 -0.343 3.467 648 HB2 LEU 88 1HB LEU 88 -1.624 -1.114 3.431 649 HB3 LEU 88 2HB LEU 88 -1.811 -0.989 5.179 650 HG LEU 88 HG LEU 88 -1.745 1.590 4.688 651 HD11 LEU 88 1HD1 LEU 88 -2.913 2.054 2.523 652 HD12 LEU 88 2HD1 LEU 88 -2.542 0.399 2.041 653 HD13 LEU 88 3HD1 LEU 88 -1.235 1.537 2.366 654 HD21 LEU 88 3HD2 LEU 88 -4.107 1.616 4.724 655 HD22 LEU 88 1HD2 LEU 88 -3.623 0.163 5.600 656 HD23 LEU 88 2HD2 LEU 88 -4.212 0.038 3.942 657 H LYS 89 H LYS 89 0.740 1.854 3.383 658 HA LYS 89 HA LYS 89 0.494 3.437 5.806 659 HB2 LYS 89 1HB LYS 89 2.712 4.179 5.926 660 HB3 LYS 89 2HB LYS 89 2.863 2.448 5.659 661 HG2 LYS 89 1HG LYS 89 3.215 2.895 3.250 662 HG3 LYS 89 2HG LYS 89 3.184 4.624 3.603 663 HD2 LYS 89 1HD LYS 89 5.442 4.237 3.666 664 HD3 LYS 89 2HD LYS 89 5.031 3.957 5.360 665 HE2 LYS 89 1HE LYS 89 5.694 1.984 3.214 666 HE3 LYS 89 2HE LYS 89 6.347 2.121 4.846 667 HZ1 LYS 89 3HZ LYS 89 4.815 0.215 4.506 668 HZ2 LYS 89 1HZ LYS 89 3.554 1.315 4.255 669 HZ3 LYS 89 2HZ LYS 89 4.342 1.257 5.751 670 H ALA 90 H ALA 90 0.461 5.709 5.414 671 HA ALA 90 HA ALA 90 -0.535 6.361 2.771 672 HB1 ALA 90 3HB ALA 90 -1.697 7.150 4.798 673 HB2 ALA 90 1HB ALA 90 -0.284 8.125 5.205 674 HB3 ALA 90 2HB ALA 90 -1.205 8.472 3.740 675 H PHE 91 H PHE 91 0.275 8.036 1.454 676 HA PHE 91 HA PHE 91 2.919 9.099 2.099 677 HB2 PHE 91 1HB PHE 91 3.947 8.353 0.094 678 HB3 PHE 91 2HB PHE 91 3.152 6.939 0.777 679 HD1 PHE 91 1HD PHE 91 2.825 9.583 -1.790 680 HD2 PHE 91 2HD PHE 91 1.531 5.761 -0.436 681 HE1 PHE 91 1HE PHE 91 1.624 9.242 -3.911 682 HE2 PHE 91 2HE PHE 91 0.329 5.414 -2.554 683 HZ PHE 91 HZ PHE 91 0.375 7.155 -4.295 684 H ASN 92 H ASN 92 3.564 10.875 0.693 685 HA ASN 92 HA ASN 92 1.682 12.014 -1.138 686 HB2 ASN 92 1HB ASN 92 1.098 13.996 0.100 687 HB3 ASN 92 2HB ASN 92 0.672 12.596 1.079 688 HD21 ASN 92 1HD2 ASN 92 0.752 14.639 2.556 689 HD22 ASN 92 2HD2 ASN 92 2.230 14.831 3.431 690 H ASN 93 H ASN 93 2.439 14.534 -1.385 691 HA ASN 93 HA ASN 93 4.891 14.466 -2.656 692 HB2 ASN 93 1HB ASN 93 3.125 16.649 -1.654 693 HB3 ASN 93 2HB ASN 93 4.761 17.078 -2.145 694 HD21 ASN 93 1HD2 ASN 93 2.145 14.986 -3.328 695 HD22 ASN 93 2HD2 ASN 93 2.231 15.523 -4.968 696 H ALA 94 H ALA 94 4.205 14.761 0.700 697 HA ALA 94 HA ALA 94 6.774 15.890 1.397 698 HB1 ALA 94 3HB ALA 94 5.413 14.715 3.632 699 HB2 ALA 94 1HB ALA 94 5.753 16.413 3.296 700 HB3 ALA 94 2HB ALA 94 4.284 15.666 2.667 701 H GLY 95 H GLY 95 5.357 12.745 1.033 702 HA2 GLY 95 1HA GLY 95 7.219 11.050 0.651 703 HA3 GLY 95 2HA GLY 95 7.744 11.520 2.261 704 H GLU 96 H GLU 96 7.453 9.622 3.326 705 HA GLU 96 HA GLU 96 4.723 8.514 3.335 706 HB2 GLU 96 1HB GLU 96 7.237 7.026 4.087 707 HB3 GLU 96 2HB GLU 96 5.635 6.357 3.809 708 HG2 GLU 96 1HG GLU 96 5.776 6.748 1.479 709 HG3 GLU 96 2HG GLU 96 7.226 7.733 1.666 710 H GLY 97 H GLY 97 3.811 7.882 5.317 711 HA2 GLY 97 1HA GLY 97 5.107 9.124 7.664 712 HA3 GLY 97 2HA GLY 97 3.368 9.025 7.434 713 H VAL 98 H VAL 98 4.069 8.170 9.774 714 HA VAL 98 HA VAL 98 5.121 5.834 10.454 715 HB VAL 98 HB VAL 98 3.880 7.092 12.083 716 HG11 VAL 98 1HG1 VAL 98 1.203 6.179 11.419 717 HG12 VAL 98 2HG1 VAL 98 1.779 7.798 11.823 718 HG13 VAL 98 3HG1 VAL 98 1.897 7.207 10.165 719 HG21 VAL 98 3HG2 VAL 98 4.153 4.922 12.860 720 HG22 VAL 98 1HG2 VAL 98 2.417 5.181 13.037 721 HG23 VAL 98 2HG2 VAL 98 3.035 4.248 11.673 722 HA PRO 99 HA PRO 99 3.229 3.031 7.473 723 HB2 PRO 99 1HB PRO 99 4.996 1.018 7.915 724 HB3 PRO 99 2HB PRO 99 5.359 2.405 6.881 725 HG2 PRO 99 1HG PRO 99 6.143 1.906 9.727 726 HG3 PRO 99 2HG PRO 99 7.117 2.556 8.395 727 HD2 PRO 99 1HD PRO 99 5.996 4.137 10.286 728 HD3 PRO 99 2HD PRO 99 6.227 4.671 8.609 729 H LEU 100 H LEU 100 1.698 1.506 7.765 730 HA LEU 100 HA LEU 100 1.345 0.450 10.485 731 HB2 LEU 100 1HB LEU 100 -0.443 1.843 9.213 732 HB3 LEU 100 2HB LEU 100 -0.747 0.338 8.349 733 HG LEU 100 HG LEU 100 -1.026 -0.652 10.750 734 HD11 LEU 100 1HD1 LEU 100 -1.994 0.989 12.313 735 HD12 LEU 100 2HD1 LEU 100 -1.522 2.284 11.214 736 HD13 LEU 100 3HD1 LEU 100 -0.287 1.287 11.983 737 HD21 LEU 100 3HD2 LEU 100 -2.745 0.158 8.788 738 HD22 LEU 100 1HD2 LEU 100 -3.339 1.047 10.191 739 HD23 LEU 100 2HD2 LEU 100 -3.208 -0.711 10.252 740 H TYR 101 H TYR 101 1.743 -1.623 10.848 741 HA TYR 101 HA TYR 101 2.091 -3.419 8.566 742 HB2 TYR 101 1HB TYR 101 3.001 -3.485 11.428 743 HB3 TYR 101 2HB TYR 101 3.002 -4.952 10.456 744 HD1 TYR 101 1HD TYR 101 4.288 -1.457 10.494 745 HD2 TYR 101 2HD TYR 101 4.810 -5.430 9.062 746 HE1 TYR 101 1HE TYR 101 6.471 -0.825 9.556 747 HE2 TYR 101 2HE TYR 101 6.996 -4.809 8.121 748 HH TYR 101 HH TYR 101 8.780 -2.932 8.690 749 H GLU 102 H GLU 102 1.346 -5.695 8.840 750 HA GLU 102 HA GLU 102 -0.841 -6.208 10.628 751 HB2 GLU 102 1HB GLU 102 -1.662 -4.815 8.523 752 HB3 GLU 102 2HB GLU 102 -1.634 -6.399 7.760 753 HG2 GLU 102 1HG GLU 102 -3.827 -5.620 8.784 754 HG3 GLU 102 2HG GLU 102 -3.275 -7.247 9.178 755 H SER 103 H SER 103 -1.948 -8.370 9.907 756 HA SER 103 HA SER 103 0.040 -10.159 8.695 757 HB2 SER 103 1HB SER 103 -0.493 -11.846 10.488 758 HB3 SER 103 2HB SER 103 0.392 -10.431 11.057 759 HG SER 103 HG SER 103 -2.295 -11.140 11.468 760 H ALA 104 H ALA 104 -0.793 -11.963 7.647 761 HA ALA 104 HA ALA 104 -3.575 -12.634 7.744 762 HB1 ALA 104 3HB ALA 104 -2.732 -11.664 5.052 763 HB2 ALA 104 1HB ALA 104 -4.350 -11.826 5.735 764 HB3 ALA 104 2HB ALA 104 -3.302 -10.505 6.253 765 H THR 105 H THR 105 -3.249 -14.769 7.862 766 HA THR 105 HA THR 105 -1.266 -16.045 6.144 767 HB THR 105 HB THR 105 -2.989 -17.277 8.302 768 HG1 THR 105 1HG THR 105 -1.029 -15.613 8.612 769 HG21 THR 105 3HG2 THR 105 -1.687 -19.213 8.111 770 HG22 THR 105 1HG2 THR 105 -0.433 -18.390 7.185 771 HG23 THR 105 2HG2 THR 105 -1.990 -18.745 6.438 772 H THR 106 H THR 106 -1.919 -16.562 4.161 773 HA THR 106 HA THR 106 -4.405 -16.675 3.097 774 HB THR 106 HB THR 106 -3.477 -18.475 1.509 775 HG1 THR 106 1HG THR 106 -1.624 -19.327 2.049 776 HG21 THR 106 3HG2 THR 106 -3.180 -15.752 1.600 777 HG22 THR 106 1HG2 THR 106 -2.724 -16.779 0.242 778 HG23 THR 106 2HG2 THR 106 -1.514 -16.305 1.434 779 H ARG 107 H ARG 107 -5.745 -18.521 2.392 780 HA ARG 107 HA ARG 107 -6.352 -20.211 4.642 781 HB2 ARG 107 1HB ARG 107 -7.628 -20.332 1.913 782 HB3 ARG 107 2HB ARG 107 -8.314 -20.835 3.452 783 HG2 ARG 107 1HG ARG 107 -7.709 -18.003 2.626 784 HG3 ARG 107 2HG ARG 107 -9.304 -18.755 2.684 785 HD2 ARG 107 1HD ARG 107 -8.550 -19.250 5.183 786 HD3 ARG 107 2HD ARG 107 -7.551 -17.826 4.893 787 HE ARG 107 HE ARG 107 -9.445 -16.526 4.902 788 HH11 ARG 107 1HH1 ARG 107 -10.335 -19.887 4.723 789 HH12 ARG 107 2HH1 ARG 107 -12.021 -19.590 4.989 790 HH21 ARG 107 1HH2 ARG 107 -11.662 -16.122 5.252 791 HH22 ARG 107 2HH2 ARG 107 -12.775 -17.447 5.289 792 H SER 108 H SER 108 -7.126 -22.573 3.818 793 HA SER 108 HA SER 108 -4.723 -23.767 2.602 794 HB2 SER 108 1HB SER 108 -5.223 -25.788 3.902 795 HB3 SER 108 2HB SER 108 -5.059 -24.389 4.962 796 HG SER 108 HG SER 108 -6.887 -25.597 5.526 797 H ILE 109 H ILE 109 -4.944 -24.854 0.758 798 HA ILE 109 HA ILE 109 -7.434 -24.957 -0.598 799 HB ILE 109 HB ILE 109 -4.818 -26.325 -1.236 800 HG12 ILE 109 1HG1 ILE 109 -5.991 -23.652 -1.832 801 HG13 ILE 109 2HG1 ILE 109 -4.320 -24.097 -1.505 802 HG21 ILE 109 1HG2 ILE 109 -6.904 -27.363 -2.231 803 HG22 ILE 109 2HG2 ILE 109 -7.103 -25.860 -3.131 804 HG23 ILE 109 3HG2 ILE 109 -5.663 -26.849 -3.374 805 HD11 ILE 109 3HD1 ILE 109 -4.203 -25.111 -3.758 806 HD12 ILE 109 1HD1 ILE 109 -5.831 -24.510 -4.071 807 HD13 ILE 109 2HD1 ILE 109 -4.513 -23.375 -3.777 808 H THR 110 H THR 110 -9.012 -26.385 -0.382 809 HA THR 110 HA THR 110 -8.396 -29.006 0.806 810 HB THR 110 HB THR 110 -10.000 -27.661 2.091 811 HG1 THR 110 1HG THR 110 -11.602 -29.662 0.956 812 HG21 THR 110 3HG2 THR 110 -12.037 -26.887 1.250 813 HG22 THR 110 1HG2 THR 110 -11.961 -27.936 -0.164 814 HG23 THR 110 2HG2 THR 110 -10.899 -26.533 -0.049 815 H SER 111 H SER 111 -9.032 -30.883 -0.177 816 HA SER 111 HA SER 111 -10.240 -30.620 -2.853 817 HB2 SER 111 1HB SER 111 -7.923 -32.275 -1.910 818 HB3 SER 111 2HB SER 111 -8.904 -32.836 -3.263 819 HG SER 111 HG SER 111 -7.340 -30.496 -3.060 820 H GLY 112 H GLY 112 -12.333 -31.046 -2.152 821 HA2 GLY 112 1HA GLY 112 -12.949 -33.839 -1.818 822 HA3 GLY 112 2HA GLY 112 -13.273 -32.884 -0.379 823 HA PRO 113 HA PRO 113 -17.229 -31.857 -1.960 824 HB2 PRO 113 1HB PRO 113 -17.613 -29.408 -0.853 825 HB3 PRO 113 2HB PRO 113 -17.666 -30.905 0.085 826 HG2 PRO 113 1HG PRO 113 -15.434 -28.931 -0.210 827 HG3 PRO 113 2HG PRO 113 -16.015 -29.754 1.250 828 HD2 PRO 113 1HD PRO 113 -13.812 -30.565 -0.101 829 HD3 PRO 113 2HD PRO 113 -14.875 -31.697 0.761 830 H SER 114 H SER 114 -14.454 -30.269 -2.941 831 HA SER 114 HA SER 114 -15.581 -28.113 -4.421 832 HB2 SER 114 1HB SER 114 -13.173 -28.292 -3.673 833 HB3 SER 114 2HB SER 114 -12.938 -29.482 -4.953 834 HG SER 114 HG SER 114 -14.015 -27.596 -6.234 835 H SER 115 H SER 115 -17.212 -28.800 -5.753 836 HA SER 115 HA SER 115 -16.362 -30.301 -8.113 837 HB2 SER 115 1HB SER 115 -17.503 -31.836 -6.404 838 HB3 SER 115 2HB SER 115 -18.984 -30.951 -6.770 839 HG SER 115 HG SER 115 -18.470 -31.507 -9.042 840 H GLY 116 H GLY 116 -17.112 -29.447 -9.960 841 HA2 GLY 116 1HA GLY 116 -19.355 -27.533 -9.770 842 HA3 GLY 116 2HA GLY 116 -17.912 -27.183 -10.711 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -16.901 5.866 -6.647 2 HA2 GLY 1 1HA GLY 1 -18.897 7.506 -5.966 3 HA3 GLY 1 2HA GLY 1 -17.230 7.908 -5.581 4 H SER 2 H SER 2 -19.631 9.566 -6.304 5 HA SER 2 HA SER 2 -18.457 10.980 -8.609 6 HB2 SER 2 1HB SER 2 -20.868 9.959 -8.720 7 HB3 SER 2 2HB SER 2 -21.309 11.373 -7.763 8 HG SER 2 HG SER 2 -20.039 12.520 -9.529 9 H SER 3 H SER 3 -17.453 11.399 -6.048 10 HA SER 3 HA SER 3 -18.506 14.072 -5.388 11 HB2 SER 3 1HB SER 3 -17.117 12.067 -3.596 12 HB3 SER 3 2HB SER 3 -17.540 13.710 -3.116 13 HG SER 3 HG SER 3 -19.673 12.460 -4.186 14 H GLY 4 H GLY 4 -16.831 15.559 -4.444 15 HA2 GLY 4 1HA GLY 4 -14.380 15.937 -4.263 16 HA3 GLY 4 2HA GLY 4 -14.253 15.169 -5.838 17 H SER 5 H SER 5 -13.334 17.800 -5.070 18 HA SER 5 HA SER 5 -14.861 19.364 -7.033 19 HB2 SER 5 1HB SER 5 -15.232 19.929 -4.478 20 HB3 SER 5 2HB SER 5 -13.693 20.770 -4.665 21 HG SER 5 HG SER 5 -14.778 22.310 -5.568 22 H SER 6 H SER 6 -13.351 19.173 -8.634 23 HA SER 6 HA SER 6 -11.307 19.287 -9.690 24 HB2 SER 6 1HB SER 6 -11.476 21.963 -8.286 25 HB3 SER 6 2HB SER 6 -10.377 21.599 -9.616 26 HG SER 6 HG SER 6 -11.977 21.770 -10.977 27 H GLY 7 H GLY 7 -11.085 17.907 -7.225 28 HA2 GLY 7 1HA GLY 7 -8.965 16.995 -6.476 29 HA3 GLY 7 2HA GLY 7 -8.312 18.626 -6.519 30 HA PRO 8 HA PRO 8 -10.675 17.512 -2.413 31 HB2 PRO 8 1HB PRO 8 -9.173 15.596 -1.212 32 HB3 PRO 8 2HB PRO 8 -10.559 15.224 -2.244 33 HG2 PRO 8 1HG PRO 8 -7.640 15.192 -2.908 34 HG3 PRO 8 2HG PRO 8 -8.899 14.023 -3.345 35 HD2 PRO 8 1HD PRO 8 -7.998 15.906 -5.069 36 HD3 PRO 8 2HD PRO 8 -9.673 15.318 -5.087 37 H GLU 9 H GLU 9 -7.630 18.360 -3.486 38 HA GLU 9 HA GLU 9 -6.407 18.883 -0.934 39 HB2 GLU 9 1HB GLU 9 -5.671 19.619 -3.764 40 HB3 GLU 9 2HB GLU 9 -4.733 20.148 -2.375 41 HG2 GLU 9 1HG GLU 9 -4.721 17.590 -1.805 42 HG3 GLU 9 2HG GLU 9 -5.041 17.427 -3.531 43 H ASN 10 H ASN 10 -7.218 20.420 0.333 44 HA ASN 10 HA ASN 10 -7.247 23.138 -0.491 45 HB2 ASN 10 1HB ASN 10 -9.772 23.391 0.093 46 HB3 ASN 10 2HB ASN 10 -9.319 22.844 -1.518 47 HD21 ASN 10 1HD2 ASN 10 -11.186 22.219 1.173 48 HD22 ASN 10 2HD2 ASN 10 -11.639 20.592 0.809 49 H ASP 11 H ASP 11 -6.238 23.862 1.274 50 HA ASP 11 HA ASP 11 -5.914 24.519 3.432 51 HB2 ASP 11 1HB ASP 11 -8.616 23.337 4.080 52 HB3 ASP 11 2HB ASP 11 -7.755 24.602 4.954 53 H LEU 12 H LEU 12 -4.732 22.203 2.671 54 HA LEU 12 HA LEU 12 -5.023 20.474 5.041 55 HB2 LEU 12 1HB LEU 12 -3.971 19.615 2.356 56 HB3 LEU 12 2HB LEU 12 -4.363 18.591 3.735 57 HG LEU 12 HG LEU 12 -6.371 20.136 2.095 58 HD11 LEU 12 1HD1 LEU 12 -5.169 18.203 0.962 59 HD12 LEU 12 2HD1 LEU 12 -6.930 18.131 1.012 60 HD13 LEU 12 3HD1 LEU 12 -5.976 17.160 2.133 61 HD21 LEU 12 3HD2 LEU 12 -6.601 18.263 4.431 62 HD22 LEU 12 1HD2 LEU 12 -7.938 18.527 3.310 63 HD23 LEU 12 2HD2 LEU 12 -7.285 19.878 4.237 64 H ASP 13 H ASP 13 -2.857 19.053 5.161 65 HA ASP 13 HA ASP 13 -0.619 20.971 5.076 66 HB2 ASP 13 1HB ASP 13 -1.480 20.361 7.374 67 HB3 ASP 13 2HB ASP 13 -0.936 18.715 7.060 68 H GLU 14 H GLU 14 0.569 20.404 3.357 69 HA GLU 14 HA GLU 14 0.978 17.585 2.732 70 HB2 GLU 14 1HB GLU 14 0.496 19.575 1.061 71 HB3 GLU 14 2HB GLU 14 2.238 19.788 1.158 72 HG2 GLU 14 1HG GLU 14 2.545 17.455 0.458 73 HG3 GLU 14 2HG GLU 14 0.797 17.285 0.311 74 H SER 15 H SER 15 2.735 20.393 3.873 75 HA SER 15 HA SER 15 5.354 19.629 3.556 76 HB2 SER 15 1HB SER 15 4.626 21.798 4.514 77 HB3 SER 15 2HB SER 15 4.192 20.971 6.010 78 HG SER 15 HG SER 15 6.766 21.274 4.867 79 H GLN 16 H GLN 16 2.966 18.275 5.662 80 HA GLN 16 HA GLN 16 5.020 16.586 6.925 81 HB2 GLN 16 1HB GLN 16 3.616 16.333 8.809 82 HB3 GLN 16 2HB GLN 16 3.551 18.042 8.402 83 HG2 GLN 16 1HG GLN 16 1.394 17.849 7.485 84 HG3 GLN 16 2HG GLN 16 1.483 16.089 7.449 85 HE21 GLN 16 1HE2 GLN 16 0.421 18.766 9.151 86 HE22 GLN 16 2HE2 GLN 16 0.022 17.988 10.641 87 H VAL 17 H VAL 17 4.825 14.379 6.881 88 HA VAL 17 HA VAL 17 3.395 13.238 4.718 89 HB VAL 17 HB VAL 17 4.152 11.056 5.632 90 HG11 VAL 17 1HG1 VAL 17 5.770 11.764 4.221 91 HG12 VAL 17 2HG1 VAL 17 5.936 13.328 5.021 92 HG13 VAL 17 3HG1 VAL 17 6.700 11.896 5.713 93 HG21 VAL 17 3HG2 VAL 17 4.913 12.796 7.935 94 HG22 VAL 17 1HG2 VAL 17 4.166 11.198 7.930 95 HG23 VAL 17 2HG2 VAL 17 5.883 11.370 7.567 96 HA PRO 18 HA PRO 18 -0.504 12.261 6.492 97 HB2 PRO 18 1HB PRO 18 -1.118 9.997 5.126 98 HB3 PRO 18 2HB PRO 18 -1.149 11.603 4.388 99 HG2 PRO 18 1HG PRO 18 0.974 9.497 4.253 100 HG3 PRO 18 2HG PRO 18 0.338 10.528 2.959 101 HD2 PRO 18 1HD PRO 18 2.680 11.046 4.215 102 HD3 PRO 18 2HD PRO 18 1.627 12.332 3.589 103 H ASP 19 H ASP 19 -1.335 11.131 8.179 104 HA ASP 19 HA ASP 19 0.396 9.318 9.576 105 HB2 ASP 19 1HB ASP 19 -2.247 10.598 10.117 106 HB3 ASP 19 2HB ASP 19 -1.799 9.174 11.053 107 H GLN 20 H GLN 20 -0.495 7.235 10.472 108 HA GLN 20 HA GLN 20 -1.155 5.504 8.343 109 HB2 GLN 20 1HB GLN 20 -1.189 3.750 9.977 110 HB3 GLN 20 2HB GLN 20 0.111 4.856 10.400 111 HG2 GLN 20 1HG GLN 20 -1.741 5.940 11.913 112 HG3 GLN 20 2HG GLN 20 -2.467 4.339 11.782 113 HE21 GLN 20 1HE2 GLN 20 0.257 3.151 11.512 114 HE22 GLN 20 2HE2 GLN 20 0.881 3.105 13.122 115 HA PRO 21 HA PRO 21 -5.540 5.510 8.214 116 HB2 PRO 21 1HB PRO 21 -6.090 2.895 7.733 117 HB3 PRO 21 2HB PRO 21 -5.386 3.968 6.517 118 HG2 PRO 21 1HG PRO 21 -4.035 1.964 8.283 119 HG3 PRO 21 2HG PRO 21 -3.774 2.293 6.560 120 HD2 PRO 21 1HD PRO 21 -2.133 3.248 8.491 121 HD3 PRO 21 2HD PRO 21 -2.449 4.131 6.984 122 H SER 22 H SER 22 -6.946 5.705 9.830 123 HA SER 22 HA SER 22 -6.780 5.064 12.394 124 HB2 SER 22 1HB SER 22 -8.732 6.209 11.873 125 HB3 SER 22 2HB SER 22 -9.179 5.076 10.598 126 HG SER 22 HG SER 22 -10.215 3.927 12.017 127 H SER 23 H SER 23 -7.799 2.779 9.899 128 HA SER 23 HA SER 23 -6.947 0.562 11.534 129 HB2 SER 23 1HB SER 23 -9.188 -0.610 11.283 130 HB3 SER 23 2HB SER 23 -9.147 0.719 12.442 131 HG SER 23 HG SER 23 -9.768 1.732 10.075 132 H LEU 24 H LEU 24 -6.595 -1.323 10.353 133 HA LEU 24 HA LEU 24 -7.138 -1.187 7.468 134 HB2 LEU 24 1HB LEU 24 -4.909 -0.580 7.463 135 HB3 LEU 24 2HB LEU 24 -4.526 -1.588 8.856 136 HG LEU 24 HG LEU 24 -4.756 -3.590 7.398 137 HD11 LEU 24 1HD1 LEU 24 -6.233 -2.487 5.721 138 HD12 LEU 24 2HD1 LEU 24 -4.872 -3.364 5.022 139 HD13 LEU 24 3HD1 LEU 24 -4.823 -1.605 5.133 140 HD21 LEU 24 3HD2 LEU 24 -2.545 -3.224 7.547 141 HD22 LEU 24 1HD2 LEU 24 -2.700 -1.506 7.182 142 HD23 LEU 24 2HD2 LEU 24 -2.699 -2.688 5.873 143 H HIS 25 H HIS 25 -8.655 -2.757 7.359 144 HA HIS 25 HA HIS 25 -8.337 -5.250 8.793 145 HB2 HIS 25 1HB HIS 25 -10.563 -4.167 8.481 146 HB3 HIS 25 2HB HIS 25 -10.436 -4.483 6.754 147 HD1 HIS 25 1HD HIS 25 -12.537 -5.998 6.836 148 HD2 HIS 25 2HD HIS 25 -9.383 -7.322 9.193 149 HE1 HIS 25 1HE HIS 25 -13.115 -8.363 7.467 150 HE2 HIS 25 2HE HIS 25 -11.233 -9.114 8.963 151 H VAL 26 H VAL 26 -7.579 -7.120 8.002 152 HA VAL 26 HA VAL 26 -7.184 -7.370 5.100 153 HB VAL 26 HB VAL 26 -4.984 -8.430 5.490 154 HG11 VAL 26 1HG1 VAL 26 -4.384 -6.371 4.873 155 HG12 VAL 26 2HG1 VAL 26 -5.623 -5.618 5.878 156 HG13 VAL 26 3HG1 VAL 26 -4.070 -6.072 6.582 157 HG21 VAL 26 3HG2 VAL 26 -5.581 -7.668 8.329 158 HG22 VAL 26 1HG2 VAL 26 -5.039 -9.218 7.686 159 HG23 VAL 26 2HG2 VAL 26 -3.922 -7.855 7.760 160 H ARG 27 H ARG 27 -8.095 -9.165 4.367 161 HA ARG 27 HA ARG 27 -8.406 -11.440 6.214 162 HB2 ARG 27 1HB ARG 27 -10.225 -10.265 4.161 163 HB3 ARG 27 2HB ARG 27 -10.291 -12.000 4.437 164 HG2 ARG 27 1HG ARG 27 -10.530 -11.370 6.925 165 HG3 ARG 27 2HG ARG 27 -10.947 -9.767 6.314 166 HD2 ARG 27 1HD ARG 27 -13.006 -10.845 6.546 167 HD3 ARG 27 2HD ARG 27 -12.640 -10.982 4.827 168 HE ARG 27 HE ARG 27 -11.643 -13.275 5.864 169 HH11 ARG 27 1HH1 ARG 27 -14.741 -11.700 6.060 170 HH12 ARG 27 2HH1 ARG 27 -15.629 -13.179 6.224 171 HH21 ARG 27 1HH2 ARG 27 -12.800 -15.229 6.078 172 HH22 ARG 27 2HH2 ARG 27 -14.523 -15.186 6.235 173 HA PRO 28 HA PRO 28 -5.570 -13.221 3.193 174 HB2 PRO 28 1HB PRO 28 -4.950 -15.376 4.723 175 HB3 PRO 28 2HB PRO 28 -4.216 -13.786 4.962 176 HG2 PRO 28 1HG PRO 28 -6.474 -15.073 6.448 177 HG3 PRO 28 2HG PRO 28 -5.101 -14.147 7.082 178 HD2 PRO 28 1HD PRO 28 -7.566 -13.070 6.769 179 HD3 PRO 28 2HD PRO 28 -6.078 -12.119 6.584 180 H GLN 29 H GLN 29 -7.196 -13.743 1.670 181 HA GLN 29 HA GLN 29 -9.036 -15.876 2.049 182 HB2 GLN 29 1HB GLN 29 -8.112 -14.324 -0.354 183 HB3 GLN 29 2HB GLN 29 -9.206 -15.691 -0.519 184 HG2 GLN 29 1HG GLN 29 -10.132 -13.264 -0.319 185 HG3 GLN 29 2HG GLN 29 -10.946 -14.604 0.487 186 HE21 GLN 29 1HE2 GLN 29 -10.249 -11.541 0.920 187 HE22 GLN 29 2HE2 GLN 29 -9.962 -11.490 2.623 188 H THR 30 H THR 30 -8.982 -17.528 -0.025 189 HA THR 30 HA THR 30 -7.072 -19.452 0.648 190 HB THR 30 HB THR 30 -8.217 -19.500 -2.103 191 HG1 THR 30 1HG THR 30 -10.193 -19.270 -1.406 192 HG21 THR 30 3HG2 THR 30 -7.700 -21.451 0.115 193 HG22 THR 30 1HG2 THR 30 -7.112 -21.476 -1.546 194 HG23 THR 30 2HG2 THR 30 -8.799 -21.856 -1.203 195 H ASN 31 H ASN 31 -7.286 -17.907 -2.557 196 HA ASN 31 HA ASN 31 -4.347 -18.025 -2.698 197 HB2 ASN 31 1HB ASN 31 -6.372 -18.047 -4.948 198 HB3 ASN 31 2HB ASN 31 -4.623 -18.077 -5.155 199 HD21 ASN 31 1HD2 ASN 31 -3.632 -19.861 -3.596 200 HD22 ASN 31 2HD2 ASN 31 -4.351 -21.419 -3.793 201 H CYS 32 H CYS 32 -6.232 -15.884 -1.650 202 HA CYS 32 HA CYS 32 -4.864 -13.666 -2.923 203 HB2 CYS 32 1HB CYS 32 -7.152 -12.446 -3.062 204 HB3 CYS 32 2HB CYS 32 -6.710 -13.567 -4.343 205 HG CYS 32 HG CYS 32 -8.378 -15.582 -3.601 206 H ILE 33 H ILE 33 -5.664 -11.535 -1.804 207 HA ILE 33 HA ILE 33 -6.484 -11.908 0.950 208 HB ILE 33 HB ILE 33 -3.800 -10.658 0.363 209 HG12 ILE 33 1HG1 ILE 33 -4.497 -13.357 1.535 210 HG13 ILE 33 2HG1 ILE 33 -3.635 -13.050 0.031 211 HG21 ILE 33 1HG2 ILE 33 -5.511 -10.231 2.474 212 HG22 ILE 33 2HG2 ILE 33 -4.404 -11.454 3.095 213 HG23 ILE 33 3HG2 ILE 33 -3.773 -9.930 2.473 214 HD11 ILE 33 3HD1 ILE 33 -2.409 -13.673 2.304 215 HD12 ILE 33 1HD1 ILE 33 -1.681 -12.630 1.082 216 HD13 ILE 33 2HD1 ILE 33 -2.463 -11.920 2.495 217 H ILE 34 H ILE 34 -8.115 -10.482 0.914 218 HA ILE 34 HA ILE 34 -7.819 -7.922 -0.427 219 HB ILE 34 HB ILE 34 -10.137 -9.260 0.950 220 HG12 ILE 34 1HG1 ILE 34 -11.096 -8.805 -1.418 221 HG13 ILE 34 2HG1 ILE 34 -9.419 -8.541 -1.881 222 HG21 ILE 34 1HG2 ILE 34 -11.302 -7.114 -0.141 223 HG22 ILE 34 2HG2 ILE 34 -10.741 -7.156 1.529 224 HG23 ILE 34 3HG2 ILE 34 -9.743 -6.407 0.283 225 HD11 ILE 34 3HD1 ILE 34 -9.073 -10.869 -0.724 226 HD12 ILE 34 1HD1 ILE 34 -10.794 -11.044 -1.069 227 HD13 ILE 34 2HD1 ILE 34 -9.656 -10.749 -2.385 228 H MET 35 H MET 35 -7.640 -5.965 0.548 229 HA MET 35 HA MET 35 -7.696 -5.880 3.485 230 HB2 MET 35 1HB MET 35 -5.754 -4.127 3.110 231 HB3 MET 35 2HB MET 35 -5.414 -5.847 3.251 232 HG2 MET 35 1HG MET 35 -5.288 -6.049 0.841 233 HG3 MET 35 2HG MET 35 -5.713 -4.349 0.659 234 HE1 MET 35 3HE MET 35 -2.665 -2.581 2.318 235 HE2 MET 35 1HE MET 35 -3.751 -2.301 0.956 236 HE3 MET 35 2HE MET 35 -4.408 -2.756 2.528 237 H SER 36 H SER 36 -8.711 -4.154 4.341 238 HA SER 36 HA SER 36 -9.408 -1.931 2.541 239 HB2 SER 36 1HB SER 36 -11.639 -1.838 3.490 240 HB3 SER 36 2HB SER 36 -11.345 -3.465 2.878 241 HG SER 36 HG SER 36 -11.925 -4.040 4.815 242 H TRP 37 H TRP 37 -8.449 -0.162 3.275 243 HA TRP 37 HA TRP 37 -8.233 0.218 6.189 244 HB2 TRP 37 1HB TRP 37 -6.292 1.655 5.731 245 HB3 TRP 37 2HB TRP 37 -6.054 0.032 5.088 246 HD1 TRP 37 HD TRP 37 -6.232 3.650 4.043 247 HE1 TRP 37 1HE TRP 37 -5.754 3.838 1.521 248 HE3 TRP 37 3HE TRP 37 -6.402 -1.309 2.813 249 HZ2 TRP 37 2HZ TRP 37 -5.485 2.112 -0.696 250 HZ3 TRP 37 3HZ TRP 37 -6.024 -1.957 0.470 251 HH2 TRP 37 HH TRP 37 -5.576 -0.280 -1.247 252 H THR 38 H THR 38 -7.989 2.672 6.712 253 HA THR 38 HA THR 38 -9.986 4.179 5.155 254 HB THR 38 HB THR 38 -10.319 5.251 7.613 255 HG1 THR 38 1HG THR 38 -9.586 2.528 7.965 256 HG21 THR 38 3HG2 THR 38 -12.017 4.315 5.983 257 HG22 THR 38 1HG2 THR 38 -12.407 4.128 7.692 258 HG23 THR 38 2HG2 THR 38 -11.785 2.756 6.775 259 HA PRO 39 HA PRO 39 -7.238 7.600 5.088 260 HB2 PRO 39 1HB PRO 39 -8.882 9.716 5.521 261 HB3 PRO 39 2HB PRO 39 -8.880 8.794 4.012 262 HG2 PRO 39 1HG PRO 39 -10.738 8.596 6.351 263 HG3 PRO 39 2HG PRO 39 -11.114 8.576 4.618 264 HD2 PRO 39 1HD PRO 39 -10.995 6.319 6.109 265 HD3 PRO 39 2HD PRO 39 -10.545 6.354 4.392 266 HA PRO 40 HA PRO 40 -5.896 8.910 9.064 267 HB2 PRO 40 1HB PRO 40 -5.074 11.461 8.634 268 HB3 PRO 40 2HB PRO 40 -4.193 10.053 8.030 269 HG2 PRO 40 1HG PRO 40 -6.101 11.855 6.589 270 HG3 PRO 40 2HG PRO 40 -4.552 11.194 6.035 271 HD2 PRO 40 1HD PRO 40 -6.934 10.140 5.295 272 HD3 PRO 40 2HD PRO 40 -5.473 9.151 5.496 273 H LEU 41 H LEU 41 -6.821 9.620 10.894 274 HA LEU 41 HA LEU 41 -9.377 10.656 11.014 275 HB2 LEU 41 1HB LEU 41 -7.126 10.768 13.005 276 HB3 LEU 41 2HB LEU 41 -8.756 11.324 13.375 277 HG LEU 41 HG LEU 41 -8.402 8.542 12.372 278 HD11 LEU 41 1HD1 LEU 41 -6.747 9.269 14.337 279 HD12 LEU 41 2HD1 LEU 41 -7.512 7.682 14.267 280 HD13 LEU 41 3HD1 LEU 41 -8.193 8.943 15.294 281 HD21 LEU 41 3HD2 LEU 41 -10.434 8.187 13.319 282 HD22 LEU 41 1HD2 LEU 41 -10.572 9.926 13.057 283 HD23 LEU 41 2HD2 LEU 41 -10.135 9.307 14.650 284 H ASN 42 H ASN 42 -6.497 12.276 10.238 285 HA ASN 42 HA ASN 42 -7.658 14.900 10.864 286 HB2 ASN 42 1HB ASN 42 -5.180 14.058 11.424 287 HB3 ASN 42 2HB ASN 42 -4.891 14.666 9.797 288 HD21 ASN 42 1HD2 ASN 42 -5.542 16.889 9.360 289 HD22 ASN 42 2HD2 ASN 42 -5.428 18.053 10.631 290 HA PRO 43 HA PRO 43 -8.627 14.736 6.430 291 HB2 PRO 43 1HB PRO 43 -10.547 16.650 6.571 292 HB3 PRO 43 2HB PRO 43 -10.845 14.958 6.985 293 HG2 PRO 43 1HG PRO 43 -10.297 17.281 8.791 294 HG3 PRO 43 2HG PRO 43 -11.489 15.981 8.971 295 HD2 PRO 43 1HD PRO 43 -9.129 15.989 10.300 296 HD3 PRO 43 2HD PRO 43 -9.927 14.491 9.780 297 H ASN 44 H ASN 44 -7.067 16.935 8.370 298 HA ASN 44 HA ASN 44 -6.948 19.058 6.371 299 HB2 ASN 44 1HB ASN 44 -5.477 19.000 9.003 300 HB3 ASN 44 2HB ASN 44 -5.915 20.402 8.031 301 HD21 ASN 44 1HD2 ASN 44 -7.206 17.811 10.024 302 HD22 ASN 44 2HD2 ASN 44 -8.643 18.644 10.500 303 H ILE 45 H ILE 45 -5.590 16.210 6.482 304 HA ILE 45 HA ILE 45 -2.876 17.140 5.819 305 HB ILE 45 HB ILE 45 -3.773 14.351 6.556 306 HG12 ILE 45 1HG1 ILE 45 -3.868 15.794 8.494 307 HG13 ILE 45 2HG1 ILE 45 -2.447 14.764 8.628 308 HG21 ILE 45 1HG2 ILE 45 -1.490 15.239 5.164 309 HG22 ILE 45 2HG2 ILE 45 -0.961 14.795 6.786 310 HG23 ILE 45 3HG2 ILE 45 -1.823 13.624 5.788 311 HD11 ILE 45 3HD1 ILE 45 -2.485 17.645 7.764 312 HD12 ILE 45 1HD1 ILE 45 -1.932 17.019 9.316 313 HD13 ILE 45 2HD1 ILE 45 -1.053 16.619 7.840 314 H VAL 46 H VAL 46 -1.946 16.605 3.879 315 HA VAL 46 HA VAL 46 -3.753 15.953 1.734 316 HB VAL 46 HB VAL 46 -0.771 16.441 1.687 317 HG11 VAL 46 1HG1 VAL 46 -1.785 15.081 -0.213 318 HG12 VAL 46 2HG1 VAL 46 -2.643 16.557 -0.660 319 HG13 VAL 46 3HG1 VAL 46 -0.879 16.527 -0.657 320 HG21 VAL 46 3HG2 VAL 46 -3.121 18.249 1.139 321 HG22 VAL 46 1HG2 VAL 46 -1.919 18.411 2.420 322 HG23 VAL 46 2HG2 VAL 46 -1.451 18.647 0.737 323 H VAL 47 H VAL 47 -3.857 14.107 0.548 324 HA VAL 47 HA VAL 47 -1.997 11.929 1.213 325 HB VAL 47 HB VAL 47 -4.990 11.600 0.963 326 HG11 VAL 47 1HG1 VAL 47 -2.822 9.603 1.606 327 HG12 VAL 47 2HG1 VAL 47 -4.557 9.281 1.642 328 HG13 VAL 47 3HG1 VAL 47 -3.764 9.678 0.117 329 HG21 VAL 47 3HG2 VAL 47 -3.245 11.315 3.407 330 HG22 VAL 47 1HG2 VAL 47 -4.279 12.701 3.063 331 HG23 VAL 47 2HG2 VAL 47 -4.995 11.112 3.327 332 H ARG 48 H ARG 48 -0.944 11.562 -0.629 333 HA ARG 48 HA ARG 48 -2.301 11.865 -3.188 334 HB2 ARG 48 1HB ARG 48 0.567 11.041 -2.782 335 HB3 ARG 48 2HB ARG 48 -0.159 11.802 -4.191 336 HG2 ARG 48 1HG ARG 48 0.258 13.099 -1.505 337 HG3 ARG 48 2HG ARG 48 1.232 13.365 -2.953 338 HD2 ARG 48 1HD ARG 48 -1.662 13.750 -3.298 339 HD3 ARG 48 2HD ARG 48 -0.878 14.899 -2.216 340 HE ARG 48 HE ARG 48 0.293 15.770 -4.013 341 HH11 ARG 48 1HH1 ARG 48 -1.477 12.928 -4.964 342 HH12 ARG 48 2HH1 ARG 48 -1.254 13.197 -6.661 343 HH21 ARG 48 1HH2 ARG 48 0.593 16.136 -6.244 344 HH22 ARG 48 2HH2 ARG 48 -0.076 15.022 -7.388 345 H GLY 49 H GLY 49 -1.670 9.421 -0.958 346 HA2 GLY 49 1HA GLY 49 -2.989 7.373 -2.044 347 HA3 GLY 49 2HA GLY 49 -1.471 7.285 -2.924 348 H TYR 50 H TYR 50 -1.709 5.087 -1.773 349 HA TYR 50 HA TYR 50 -0.181 5.256 0.733 350 HB2 TYR 50 1HB TYR 50 -2.099 3.001 0.397 351 HB3 TYR 50 2HB TYR 50 -1.543 3.795 1.867 352 HD1 TYR 50 2HD TYR 50 -3.844 4.103 -1.010 353 HD2 TYR 50 1HD TYR 50 -2.762 5.593 2.825 354 HE1 TYR 50 2HE TYR 50 -5.929 5.406 -0.935 355 HE2 TYR 50 1HE TYR 50 -4.844 6.900 2.911 356 HH TYR 50 HH TYR 50 -6.894 7.162 1.952 357 H ILE 51 H ILE 51 0.989 3.231 1.241 358 HA ILE 51 HA ILE 51 1.872 1.903 -1.237 359 HB ILE 51 HB ILE 51 3.455 2.285 1.306 360 HG12 ILE 51 1HG1 ILE 51 3.934 3.647 -1.341 361 HG13 ILE 51 2HG1 ILE 51 2.929 4.368 -0.088 362 HG21 ILE 51 1HG2 ILE 51 5.357 1.557 -0.119 363 HG22 ILE 51 2HG2 ILE 51 4.146 0.303 0.145 364 HG23 ILE 51 3HG2 ILE 51 4.200 1.167 -1.391 365 HD11 ILE 51 3HD1 ILE 51 4.987 4.013 1.429 366 HD12 ILE 51 1HD1 ILE 51 5.869 3.860 -0.090 367 HD13 ILE 51 2HD1 ILE 51 4.985 5.343 0.271 368 H ILE 52 H ILE 52 1.214 -0.126 -1.412 369 HA ILE 52 HA ILE 52 0.529 -1.639 0.994 370 HB ILE 52 HB ILE 52 0.027 -2.261 -1.918 371 HG12 ILE 52 1HG1 ILE 52 -1.950 -1.520 0.243 372 HG13 ILE 52 2HG1 ILE 52 -1.260 -0.352 -0.878 373 HG21 ILE 52 1HG2 ILE 52 -1.188 -3.698 0.418 374 HG22 ILE 52 2HG2 ILE 52 -1.130 -4.187 -1.275 375 HG23 ILE 52 3HG2 ILE 52 0.338 -4.220 -0.297 376 HD11 ILE 52 3HD1 ILE 52 -2.219 -2.372 -2.507 377 HD12 ILE 52 1HD1 ILE 52 -3.441 -2.205 -1.247 378 HD13 ILE 52 2HD1 ILE 52 -2.970 -0.805 -2.210 379 H GLY 53 H GLY 53 2.345 -2.497 1.861 380 HA2 GLY 53 1HA GLY 53 4.200 -3.912 0.064 381 HA3 GLY 53 2HA GLY 53 4.588 -3.345 1.682 382 H TYR 54 H TYR 54 3.225 -5.893 -0.212 383 HA TYR 54 HA TYR 54 2.793 -7.474 2.237 384 HB2 TYR 54 1HB TYR 54 1.163 -8.774 1.054 385 HB3 TYR 54 2HB TYR 54 0.777 -7.078 0.790 386 HD1 TYR 54 1HD TYR 54 1.738 -6.026 -1.402 387 HD2 TYR 54 2HD TYR 54 1.285 -10.208 -0.764 388 HE1 TYR 54 1HE TYR 54 1.769 -6.394 -3.834 389 HE2 TYR 54 2HE TYR 54 1.315 -10.588 -3.194 390 HH TYR 54 HH TYR 54 0.920 -8.143 -5.441 391 H GLY 55 H GLY 55 3.417 -9.705 2.197 392 HA2 GLY 55 1HA GLY 55 4.796 -10.948 0.096 393 HA3 GLY 55 2HA GLY 55 5.979 -10.145 1.118 394 H VAL 56 H VAL 56 5.536 -13.011 0.601 395 HA VAL 56 HA VAL 56 4.353 -14.215 2.880 396 HB VAL 56 HB VAL 56 6.447 -15.385 1.042 397 HG11 VAL 56 1HG1 VAL 56 5.897 -17.481 1.867 398 HG12 VAL 56 2HG1 VAL 56 5.869 -16.478 3.319 399 HG13 VAL 56 3HG1 VAL 56 4.358 -16.930 2.528 400 HG21 VAL 56 3HG2 VAL 56 3.818 -16.342 0.511 401 HG22 VAL 56 1HG2 VAL 56 3.793 -14.579 0.478 402 HG23 VAL 56 2HG2 VAL 56 4.911 -15.464 -0.560 403 H GLY 57 H GLY 57 5.111 -13.641 4.844 404 HA2 GLY 57 1HA GLY 57 6.600 -14.123 6.620 405 HA3 GLY 57 2HA GLY 57 7.887 -14.355 5.446 406 H SER 58 H SER 58 7.332 -11.880 4.020 407 HA SER 58 HA SER 58 7.896 -9.827 6.026 408 HB2 SER 58 1HB SER 58 9.654 -9.963 3.598 409 HB3 SER 58 2HB SER 58 9.955 -9.179 5.148 410 HG SER 58 HG SER 58 9.691 -11.979 4.975 411 HA PRO 59 HA PRO 59 5.114 -7.627 3.374 412 HB2 PRO 59 1HB PRO 59 5.358 -5.207 4.580 413 HB3 PRO 59 2HB PRO 59 4.425 -6.537 5.276 414 HG2 PRO 59 1HG PRO 59 7.204 -5.631 5.922 415 HG3 PRO 59 2HG PRO 59 5.903 -6.121 7.022 416 HD2 PRO 59 1HD PRO 59 7.936 -7.775 6.342 417 HD3 PRO 59 2HD PRO 59 6.300 -8.368 6.693 418 H TYR 60 H TYR 60 8.248 -7.733 3.009 419 HA TYR 60 HA TYR 60 8.414 -5.325 1.318 420 HB2 TYR 60 1HB TYR 60 10.835 -6.830 2.252 421 HB3 TYR 60 2HB TYR 60 10.697 -5.146 1.759 422 HD1 TYR 60 1HD TYR 60 9.142 -3.673 3.313 423 HD2 TYR 60 2HD TYR 60 11.012 -7.303 4.506 424 HE1 TYR 60 1HE TYR 60 8.942 -2.995 5.669 425 HE2 TYR 60 2HE TYR 60 10.816 -6.636 6.865 426 HH TYR 60 HH TYR 60 8.831 -4.401 7.986 427 H ALA 61 H ALA 61 7.384 -8.115 0.770 428 HA ALA 61 HA ALA 61 9.280 -9.118 -1.193 429 HB1 ALA 61 3HB ALA 61 7.795 -10.531 0.389 430 HB2 ALA 61 1HB ALA 61 6.529 -10.225 -0.801 431 HB3 ALA 61 2HB ALA 61 8.010 -11.053 -1.282 432 H GLU 62 H GLU 62 6.215 -7.418 -1.064 433 HA GLU 62 HA GLU 62 6.500 -6.715 -3.867 434 HB2 GLU 62 1HB GLU 62 4.269 -8.393 -2.788 435 HB3 GLU 62 2HB GLU 62 3.938 -7.256 -4.087 436 HG2 GLU 62 1HG GLU 62 6.153 -9.265 -4.277 437 HG3 GLU 62 2HG GLU 62 4.493 -9.660 -4.719 438 H THR 63 H THR 63 6.195 -4.602 -4.012 439 HA THR 63 HA THR 63 4.442 -3.291 -2.040 440 HB THR 63 HB THR 63 5.899 -1.240 -3.091 441 HG1 THR 63 1HG THR 63 8.136 -2.280 -2.829 442 HG21 THR 63 3HG2 THR 63 7.438 -1.814 -0.990 443 HG22 THR 63 1HG2 THR 63 6.115 -2.931 -0.661 444 HG23 THR 63 2HG2 THR 63 5.794 -1.204 -0.814 445 H VAL 64 H VAL 64 2.917 -1.820 -2.714 446 HA VAL 64 HA VAL 64 2.697 -1.210 -5.560 447 HB VAL 64 HB VAL 64 0.682 -2.788 -4.000 448 HG11 VAL 64 1HG1 VAL 64 -0.864 -2.231 -6.005 449 HG12 VAL 64 2HG1 VAL 64 -0.743 -1.088 -4.666 450 HG13 VAL 64 3HG1 VAL 64 0.144 -0.792 -6.162 451 HG21 VAL 64 3HG2 VAL 64 0.537 -3.846 -6.365 452 HG22 VAL 64 1HG2 VAL 64 2.060 -3.003 -6.646 453 HG23 VAL 64 2HG2 VAL 64 1.937 -4.193 -5.350 454 H ARG 65 H ARG 65 2.582 0.933 -5.595 455 HA ARG 65 HA ARG 65 1.385 2.390 -3.386 456 HB2 ARG 65 1HB ARG 65 3.151 3.048 -5.674 457 HB3 ARG 65 2HB ARG 65 2.080 4.328 -5.120 458 HG2 ARG 65 1HG ARG 65 3.053 4.374 -2.988 459 HG3 ARG 65 2HG ARG 65 3.852 2.819 -3.230 460 HD2 ARG 65 1HD ARG 65 5.623 4.209 -3.589 461 HD3 ARG 65 2HD ARG 65 4.987 4.121 -5.231 462 HE ARG 65 HE ARG 65 3.720 6.259 -4.037 463 HH11 ARG 65 1HH1 ARG 65 6.994 5.334 -4.775 464 HH12 ARG 65 2HH1 ARG 65 7.550 6.964 -4.963 465 HH21 ARG 65 1HH2 ARG 65 4.440 8.410 -4.282 466 HH22 ARG 65 2HH2 ARG 65 6.097 8.713 -4.681 467 H VAL 66 H VAL 66 -0.760 2.571 -3.388 468 HA VAL 66 HA VAL 66 -2.189 2.837 -5.930 469 HB VAL 66 HB VAL 66 -4.235 2.643 -4.378 470 HG11 VAL 66 1HG1 VAL 66 -2.301 0.365 -4.774 471 HG12 VAL 66 2HG1 VAL 66 -3.979 0.164 -4.264 472 HG13 VAL 66 3HG1 VAL 66 -3.613 0.855 -5.846 473 HG21 VAL 66 3HG2 VAL 66 -2.629 1.147 -2.446 474 HG22 VAL 66 1HG2 VAL 66 -2.360 2.890 -2.404 475 HG23 VAL 66 2HG2 VAL 66 -3.986 2.243 -2.187 476 H ASP 67 H ASP 67 -4.156 4.332 -5.825 477 HA ASP 67 HA ASP 67 -3.206 6.976 -5.242 478 HB2 ASP 67 1HB ASP 67 -5.750 7.425 -5.948 479 HB3 ASP 67 2HB ASP 67 -4.485 7.094 -7.128 480 H SER 68 H SER 68 -4.588 8.565 -4.065 481 HA SER 68 HA SER 68 -5.063 7.636 -1.416 482 HB2 SER 68 1HB SER 68 -5.488 9.904 -0.857 483 HB3 SER 68 2HB SER 68 -4.253 9.956 -2.115 484 HG SER 68 HG SER 68 -6.225 11.387 -2.270 485 H LYS 69 H LYS 69 -6.867 7.163 -4.055 486 HA LYS 69 HA LYS 69 -9.460 7.656 -2.793 487 HB2 LYS 69 1HB LYS 69 -9.208 8.365 -5.119 488 HB3 LYS 69 2HB LYS 69 -8.762 6.729 -5.586 489 HG2 LYS 69 1HG LYS 69 -10.950 6.701 -6.182 490 HG3 LYS 69 2HG LYS 69 -11.109 6.167 -4.506 491 HD2 LYS 69 1HD LYS 69 -11.166 9.089 -5.041 492 HD3 LYS 69 2HD LYS 69 -12.580 8.140 -5.508 493 HE2 LYS 69 1HE LYS 69 -12.623 7.214 -3.187 494 HE3 LYS 69 2HE LYS 69 -11.343 8.352 -2.767 495 HZ1 LYS 69 3HZ LYS 69 -13.910 9.247 -3.932 496 HZ2 LYS 69 1HZ LYS 69 -12.756 10.167 -3.104 497 HZ3 LYS 69 2HZ LYS 69 -13.707 9.049 -2.265 498 H GLN 70 H GLN 70 -7.381 5.048 -3.890 499 HA GLN 70 HA GLN 70 -9.196 2.926 -3.676 500 HB2 GLN 70 1HB GLN 70 -6.263 2.692 -3.036 501 HB3 GLN 70 2HB GLN 70 -7.322 1.482 -3.747 502 HG2 GLN 70 1HG GLN 70 -6.286 3.989 -5.042 503 HG3 GLN 70 2HG GLN 70 -5.887 2.322 -5.451 504 HE21 GLN 70 1HE2 GLN 70 -8.690 4.474 -5.167 505 HE22 GLN 70 2HE2 GLN 70 -9.522 3.856 -6.549 506 H ARG 71 H ARG 71 -10.329 2.377 -1.942 507 HA ARG 71 HA ARG 71 -9.215 2.853 0.722 508 HB2 ARG 71 1HB ARG 71 -11.366 3.732 0.660 509 HB3 ARG 71 2HB ARG 71 -11.979 2.428 -0.348 510 HG2 ARG 71 1HG ARG 71 -12.168 0.961 1.453 511 HG3 ARG 71 2HG ARG 71 -11.095 1.926 2.468 512 HD2 ARG 71 1HD ARG 71 -12.776 3.693 2.575 513 HD3 ARG 71 2HD ARG 71 -13.843 2.750 1.536 514 HE ARG 71 HE ARG 71 -13.315 2.318 4.349 515 HH11 ARG 71 1HH1 ARG 71 -14.590 1.014 1.384 516 HH12 ARG 71 2HH1 ARG 71 -15.585 -0.162 2.177 517 HH21 ARG 71 1HH2 ARG 71 -14.621 0.775 5.404 518 HH22 ARG 71 2HH2 ARG 71 -15.603 -0.297 4.463 519 H TYR 72 H TYR 72 -9.184 0.434 -1.466 520 HA TYR 72 HA TYR 72 -8.432 -1.537 0.445 521 HB2 TYR 72 1HB TYR 72 -10.204 -2.999 0.436 522 HB3 TYR 72 2HB TYR 72 -11.077 -1.476 0.308 523 HD1 TYR 72 1HD TYR 72 -11.988 -0.759 -1.890 524 HD2 TYR 72 2HD TYR 72 -10.241 -4.598 -1.331 525 HE1 TYR 72 1HE TYR 72 -13.055 -1.539 -3.964 526 HE2 TYR 72 2HE TYR 72 -11.302 -5.389 -3.404 527 HH TYR 72 HH TYR 72 -12.755 -4.906 -5.029 528 H TYR 73 H TYR 73 -7.470 -3.366 -0.509 529 HA TYR 73 HA TYR 73 -7.297 -3.389 -3.435 530 HB2 TYR 73 1HB TYR 73 -5.364 -2.097 -2.497 531 HB3 TYR 73 2HB TYR 73 -4.865 -3.554 -1.645 532 HD1 TYR 73 2HD TYR 73 -4.393 -5.643 -3.083 533 HD2 TYR 73 1HD TYR 73 -4.629 -1.704 -4.674 534 HE1 TYR 73 2HE TYR 73 -3.132 -6.373 -5.064 535 HE2 TYR 73 1HE TYR 73 -3.369 -2.424 -6.660 536 HH TYR 73 HH TYR 73 -1.862 -4.154 -7.357 537 H SER 74 H SER 74 -7.594 -5.365 -4.211 538 HA SER 74 HA SER 74 -7.494 -7.634 -2.378 539 HB2 SER 74 1HB SER 74 -8.427 -7.723 -5.243 540 HB3 SER 74 2HB SER 74 -8.870 -8.792 -3.912 541 HG SER 74 HG SER 74 -9.700 -6.642 -2.992 542 H ILE 75 H ILE 75 -5.532 -8.513 -2.190 543 HA ILE 75 HA ILE 75 -3.695 -8.583 -4.428 544 HB ILE 75 HB ILE 75 -3.335 -9.806 -1.692 545 HG12 ILE 75 1HG1 ILE 75 -2.706 -7.033 -2.712 546 HG13 ILE 75 2HG1 ILE 75 -3.744 -7.468 -1.358 547 HG21 ILE 75 1HG2 ILE 75 -1.179 -8.862 -3.548 548 HG22 ILE 75 2HG2 ILE 75 -1.063 -9.980 -2.190 549 HG23 ILE 75 3HG2 ILE 75 -1.859 -10.483 -3.681 550 HD11 ILE 75 3HD1 ILE 75 -0.754 -7.595 -1.528 551 HD12 ILE 75 1HD1 ILE 75 -1.755 -6.664 -0.415 552 HD13 ILE 75 2HD1 ILE 75 -1.668 -8.420 -0.266 553 H GLU 76 H GLU 76 -4.073 -10.070 -5.947 554 HA GLU 76 HA GLU 76 -4.891 -12.766 -5.108 555 HB2 GLU 76 1HB GLU 76 -5.031 -11.542 -7.868 556 HB3 GLU 76 2HB GLU 76 -5.697 -13.092 -7.374 557 HG2 GLU 76 1HG GLU 76 -6.991 -11.574 -5.641 558 HG3 GLU 76 2HG GLU 76 -6.698 -10.348 -6.873 559 H ARG 77 H ARG 77 -4.121 -14.413 -6.960 560 HA ARG 77 HA ARG 77 -2.391 -15.591 -7.852 561 HB2 ARG 77 1HB ARG 77 -0.857 -12.993 -7.938 562 HB3 ARG 77 2HB ARG 77 -0.595 -14.426 -8.924 563 HG2 ARG 77 1HG ARG 77 -2.941 -12.546 -9.045 564 HG3 ARG 77 2HG ARG 77 -1.671 -12.752 -10.252 565 HD2 ARG 77 1HD ARG 77 -2.411 -15.008 -10.701 566 HD3 ARG 77 2HD ARG 77 -3.606 -14.905 -9.408 567 HE ARG 77 HE ARG 77 -3.975 -12.861 -11.359 568 HH11 ARG 77 1HH1 ARG 77 -4.534 -16.234 -10.703 569 HH12 ARG 77 2HH1 ARG 77 -5.908 -16.345 -11.753 570 HH21 ARG 77 1HH2 ARG 77 -5.783 -12.994 -12.744 571 HH22 ARG 77 2HH2 ARG 77 -6.617 -14.501 -12.913 572 H LEU 78 H LEU 78 -2.644 -15.605 -5.108 573 HA LEU 78 HA LEU 78 0.160 -15.628 -4.200 574 HB2 LEU 78 1HB LEU 78 -2.247 -15.396 -2.415 575 HB3 LEU 78 2HB LEU 78 -0.555 -15.139 -1.993 576 HG LEU 78 HG LEU 78 -2.070 -13.360 -3.895 577 HD11 LEU 78 1HD1 LEU 78 -1.907 -13.346 -0.920 578 HD12 LEU 78 2HD1 LEU 78 -3.259 -12.947 -1.979 579 HD13 LEU 78 3HD1 LEU 78 -1.923 -11.811 -1.789 580 HD21 LEU 78 3HD2 LEU 78 0.123 -12.220 -2.394 581 HD22 LEU 78 1HD2 LEU 78 -0.155 -12.255 -4.135 582 HD23 LEU 78 2HD2 LEU 78 0.641 -13.614 -3.342 583 H GLU 79 H GLU 79 0.428 -17.194 -2.270 584 HA GLU 79 HA GLU 79 -0.537 -19.785 -3.170 585 HB2 GLU 79 1HB GLU 79 1.176 -20.742 -1.841 586 HB3 GLU 79 2HB GLU 79 1.884 -19.318 -2.591 587 HG2 GLU 79 1HG GLU 79 1.665 -18.069 -0.553 588 HG3 GLU 79 2HG GLU 79 0.789 -19.395 0.210 589 H SER 80 H SER 80 -0.939 -21.403 -1.273 590 HA SER 80 HA SER 80 -2.840 -20.130 0.585 591 HB2 SER 80 1HB SER 80 -3.015 -22.638 -1.033 592 HB3 SER 80 2HB SER 80 -3.838 -22.579 0.525 593 HG SER 80 HG SER 80 -4.258 -20.978 -1.761 594 H SER 81 H SER 81 -2.840 -20.748 2.714 595 HA SER 81 HA SER 81 -2.124 -21.687 4.668 596 HB2 SER 81 1HB SER 81 -2.236 -23.844 3.277 597 HB3 SER 81 2HB SER 81 -0.490 -23.670 3.090 598 HG SER 81 HG SER 81 -1.977 -24.387 5.307 599 H SER 82 H SER 82 -0.872 -19.459 3.828 600 HA SER 82 HA SER 82 1.800 -19.819 4.919 601 HB2 SER 82 1HB SER 82 1.703 -19.888 2.263 602 HB3 SER 82 2HB SER 82 1.645 -18.136 2.458 603 HG SER 82 HG SER 82 3.530 -19.130 4.067 604 H HIS 83 H HIS 83 2.675 -17.943 5.834 605 HA HIS 83 HA HIS 83 0.708 -15.994 6.636 606 HB2 HIS 83 1HB HIS 83 2.324 -16.855 8.263 607 HB3 HIS 83 2HB HIS 83 3.652 -16.211 7.302 608 HD1 HIS 83 1HD HIS 83 4.435 -14.695 9.236 609 HD2 HIS 83 2HD HIS 83 0.557 -13.937 7.954 610 HE1 HIS 83 1HE HIS 83 3.798 -12.499 10.283 611 HE2 HIS 83 2HE HIS 83 1.417 -12.103 9.562 612 H TYR 84 H TYR 84 0.355 -14.085 5.719 613 HA TYR 84 HA TYR 84 2.426 -12.989 3.931 614 HB2 TYR 84 1HB TYR 84 -0.525 -13.259 3.591 615 HB3 TYR 84 2HB TYR 84 0.264 -11.847 2.895 616 HD1 TYR 84 1HD TYR 84 0.335 -15.562 2.921 617 HD2 TYR 84 2HD TYR 84 1.401 -12.003 0.849 618 HE1 TYR 84 1HE TYR 84 0.999 -16.905 0.970 619 HE2 TYR 84 2HE TYR 84 2.066 -13.335 -1.109 620 HH TYR 84 HH TYR 84 2.287 -15.367 -1.964 621 H VAL 85 H VAL 85 3.372 -11.446 5.138 622 HA VAL 85 HA VAL 85 1.934 -9.809 6.993 623 HB VAL 85 HB VAL 85 4.687 -9.233 5.913 624 HG11 VAL 85 1HG1 VAL 85 3.214 -8.547 8.443 625 HG12 VAL 85 2HG1 VAL 85 4.966 -8.393 8.291 626 HG13 VAL 85 3HG1 VAL 85 3.902 -7.452 7.244 627 HG21 VAL 85 3HG2 VAL 85 3.885 -11.183 8.068 628 HG22 VAL 85 1HG2 VAL 85 4.727 -11.540 6.560 629 HG23 VAL 85 2HG2 VAL 85 5.531 -10.601 7.819 630 H ILE 86 H ILE 86 0.727 -8.111 6.501 631 HA ILE 86 HA ILE 86 1.244 -6.692 3.974 632 HB ILE 86 HB ILE 86 -1.302 -6.653 5.594 633 HG12 ILE 86 1HG1 ILE 86 -1.022 -8.100 2.988 634 HG13 ILE 86 2HG1 ILE 86 -0.494 -8.890 4.469 635 HG21 ILE 86 1HG2 ILE 86 -0.364 -5.308 3.158 636 HG22 ILE 86 2HG2 ILE 86 -1.976 -6.014 3.051 637 HG23 ILE 86 3HG2 ILE 86 -1.612 -4.834 4.310 638 HD11 ILE 86 3HD1 ILE 86 -2.804 -8.380 5.381 639 HD12 ILE 86 1HD1 ILE 86 -3.250 -7.983 3.722 640 HD13 ILE 86 2HD1 ILE 86 -2.692 -9.608 4.120 641 H SER 87 H SER 87 2.076 -4.723 4.093 642 HA SER 87 HA SER 87 1.677 -3.172 6.568 643 HB2 SER 87 1HB SER 87 3.893 -2.344 6.451 644 HB3 SER 87 2HB SER 87 4.035 -4.073 6.136 645 HG SER 87 HG SER 87 4.012 -3.509 3.866 646 H LEU 88 H LEU 88 0.145 -1.732 6.031 647 HA LEU 88 HA LEU 88 0.400 -0.297 3.479 648 HB2 LEU 88 1HB LEU 88 -1.740 -1.132 3.516 649 HB3 LEU 88 2HB LEU 88 -1.890 -0.962 5.263 650 HG LEU 88 HG LEU 88 -1.890 1.596 4.724 651 HD11 LEU 88 1HD1 LEU 88 -1.401 1.593 2.421 652 HD12 LEU 88 2HD1 LEU 88 -3.122 1.958 2.540 653 HD13 LEU 88 3HD1 LEU 88 -2.594 0.337 2.087 654 HD21 LEU 88 3HD2 LEU 88 -3.743 0.125 5.644 655 HD22 LEU 88 1HD2 LEU 88 -4.336 0.013 3.986 656 HD23 LEU 88 2HD2 LEU 88 -4.243 1.583 4.785 657 H LYS 89 H LYS 89 0.629 1.888 3.403 658 HA LYS 89 HA LYS 89 0.361 3.483 5.812 659 HB2 LYS 89 1HB LYS 89 2.582 4.236 5.945 660 HB3 LYS 89 2HB LYS 89 2.723 2.496 5.733 661 HG2 LYS 89 1HG LYS 89 3.123 2.865 3.320 662 HG3 LYS 89 2HG LYS 89 3.098 4.604 3.617 663 HD2 LYS 89 1HD LYS 89 5.351 4.203 3.732 664 HD3 LYS 89 2HD LYS 89 4.909 3.981 5.427 665 HE2 LYS 89 1HE LYS 89 5.603 1.937 3.359 666 HE3 LYS 89 2HE LYS 89 6.214 2.117 5.003 667 HZ1 LYS 89 3HZ LYS 89 4.183 1.291 5.881 668 HZ2 LYS 89 1HZ LYS 89 4.673 0.214 4.671 669 HZ3 LYS 89 2HZ LYS 89 3.429 1.318 4.366 670 H ALA 90 H ALA 90 0.405 5.768 5.400 671 HA ALA 90 HA ALA 90 -0.565 6.403 2.738 672 HB1 ALA 90 3HB ALA 90 -0.375 8.133 5.201 673 HB2 ALA 90 1HB ALA 90 -1.195 8.555 3.697 674 HB3 ALA 90 2HB ALA 90 -1.793 7.221 4.684 675 H PHE 91 H PHE 91 0.318 7.960 1.372 676 HA PHE 91 HA PHE 91 2.943 9.048 2.080 677 HB2 PHE 91 1HB PHE 91 3.996 8.282 0.093 678 HB3 PHE 91 2HB PHE 91 3.183 6.879 0.780 679 HD1 PHE 91 1HD PHE 91 2.958 9.470 -1.842 680 HD2 PHE 91 2HD PHE 91 1.520 5.726 -0.418 681 HE1 PHE 91 1HE PHE 91 1.784 9.114 -3.975 682 HE2 PHE 91 2HE PHE 91 0.345 5.363 -2.549 683 HZ PHE 91 HZ PHE 91 0.476 7.058 -4.331 684 H ASN 92 H ASN 92 3.629 10.810 0.679 685 HA ASN 92 HA ASN 92 1.802 11.954 -1.201 686 HB2 ASN 92 1HB ASN 92 1.206 13.951 0.016 687 HB3 ASN 92 2HB ASN 92 0.723 12.553 0.971 688 HD21 ASN 92 1HD2 ASN 92 0.789 14.625 2.436 689 HD22 ASN 92 2HD2 ASN 92 2.231 14.778 3.376 690 H ASN 93 H ASN 93 2.576 14.470 -1.434 691 HA ASN 93 HA ASN 93 5.052 14.395 -2.647 692 HB2 ASN 93 1HB ASN 93 3.273 16.575 -1.678 693 HB3 ASN 93 2HB ASN 93 4.928 17.009 -2.093 694 HD21 ASN 93 1HD2 ASN 93 2.502 14.805 -3.459 695 HD22 ASN 93 2HD2 ASN 93 2.605 15.422 -5.070 696 H ALA 94 H ALA 94 4.289 14.747 0.702 697 HA ALA 94 HA ALA 94 6.866 15.813 1.450 698 HB1 ALA 94 3HB ALA 94 4.323 15.299 2.763 699 HB2 ALA 94 1HB ALA 94 5.709 14.856 3.760 700 HB3 ALA 94 2HB ALA 94 5.565 16.497 3.128 701 H GLY 95 H GLY 95 5.414 12.692 1.046 702 HA2 GLY 95 1HA GLY 95 7.233 10.956 0.709 703 HA3 GLY 95 2HA GLY 95 7.763 11.433 2.316 704 H GLU 96 H GLU 96 7.440 9.532 3.376 705 HA GLU 96 HA GLU 96 4.693 8.470 3.384 706 HB2 GLU 96 1HB GLU 96 7.191 6.979 4.187 707 HB3 GLU 96 2HB GLU 96 5.584 6.313 3.933 708 HG2 GLU 96 1HG GLU 96 5.720 6.650 1.590 709 HG3 GLU 96 2HG GLU 96 7.186 7.616 1.751 710 H GLY 97 H GLY 97 3.734 7.906 5.358 711 HA2 GLY 97 1HA GLY 97 5.019 9.157 7.706 712 HA3 GLY 97 2HA GLY 97 3.282 9.101 7.446 713 H VAL 98 H VAL 98 3.874 8.268 9.807 714 HA VAL 98 HA VAL 98 4.861 5.935 10.576 715 HB VAL 98 HB VAL 98 3.541 7.262 12.105 716 HG11 VAL 98 1HG1 VAL 98 0.900 6.331 11.509 717 HG12 VAL 98 2HG1 VAL 98 1.499 7.987 11.621 718 HG13 VAL 98 3HG1 VAL 98 1.585 7.118 10.088 719 HG21 VAL 98 3HG2 VAL 98 2.137 4.616 12.019 720 HG22 VAL 98 1HG2 VAL 98 3.859 4.718 12.385 721 HG23 VAL 98 2HG2 VAL 98 2.688 5.539 13.417 722 HA PRO 99 HA PRO 99 3.051 3.130 7.531 723 HB2 PRO 99 1HB PRO 99 4.843 1.142 7.983 724 HB3 PRO 99 2HB PRO 99 5.194 2.536 6.955 725 HG2 PRO 99 1HG PRO 99 5.963 2.043 9.806 726 HG3 PRO 99 2HG PRO 99 6.938 2.709 8.483 727 HD2 PRO 99 1HD PRO 99 5.780 4.270 10.369 728 HD3 PRO 99 2HD PRO 99 6.016 4.811 8.694 729 H LEU 100 H LEU 100 1.535 1.590 7.811 730 HA LEU 100 HA LEU 100 1.185 0.513 10.523 731 HB2 LEU 100 1HB LEU 100 -0.612 1.902 9.253 732 HB3 LEU 100 2HB LEU 100 -0.908 0.393 8.391 733 HG LEU 100 HG LEU 100 -1.189 -0.605 10.779 734 HD11 LEU 100 1HD1 LEU 100 -0.418 1.319 12.023 735 HD12 LEU 100 2HD1 LEU 100 -2.119 1.018 12.376 736 HD13 LEU 100 3HD1 LEU 100 -1.663 2.328 11.287 737 HD21 LEU 100 3HD2 LEU 100 -3.406 -0.584 10.374 738 HD22 LEU 100 1HD2 LEU 100 -2.912 0.152 8.849 739 HD23 LEU 100 2HD2 LEU 100 -3.464 1.169 10.181 740 H TYR 101 H TYR 101 1.577 -1.566 10.873 741 HA TYR 101 HA TYR 101 1.953 -3.337 8.575 742 HB2 TYR 101 1HB TYR 101 2.849 -3.420 11.440 743 HB3 TYR 101 2HB TYR 101 2.856 -4.882 10.462 744 HD1 TYR 101 1HD TYR 101 4.128 -1.381 10.505 745 HD2 TYR 101 2HD TYR 101 4.679 -5.355 9.086 746 HE1 TYR 101 1HE TYR 101 6.314 -0.741 9.578 747 HE2 TYR 101 2HE TYR 101 6.867 -4.725 8.156 748 HH TYR 101 HH TYR 101 8.546 -2.118 9.007 749 H GLU 102 H GLU 102 1.221 -5.622 8.829 750 HA GLU 102 HA GLU 102 -0.981 -6.155 10.594 751 HB2 GLU 102 1HB GLU 102 -1.621 -4.864 8.224 752 HB3 GLU 102 2HB GLU 102 -1.927 -6.558 7.867 753 HG2 GLU 102 1HG GLU 102 -3.318 -4.726 9.712 754 HG3 GLU 102 2HG GLU 102 -3.954 -6.021 8.700 755 H SER 103 H SER 103 -2.034 -8.331 9.936 756 HA SER 103 HA SER 103 -0.037 -10.103 8.708 757 HB2 SER 103 1HB SER 103 -0.324 -11.744 10.484 758 HB3 SER 103 2HB SER 103 0.188 -10.207 11.181 759 HG SER 103 HG SER 103 -1.953 -9.822 11.787 760 H ALA 104 H ALA 104 -0.845 -11.781 7.525 761 HA ALA 104 HA ALA 104 -3.644 -12.493 7.661 762 HB1 ALA 104 3HB ALA 104 -2.741 -11.628 4.957 763 HB2 ALA 104 1HB ALA 104 -4.369 -11.710 5.632 764 HB3 ALA 104 2HB ALA 104 -3.280 -10.408 6.111 765 H THR 105 H THR 105 -3.331 -14.627 7.860 766 HA THR 105 HA THR 105 -1.343 -15.973 6.198 767 HB THR 105 HB THR 105 -3.093 -17.184 8.343 768 HG1 THR 105 1HG THR 105 -1.400 -15.394 8.831 769 HG21 THR 105 3HG2 THR 105 -1.558 -19.009 8.325 770 HG22 THR 105 1HG2 THR 105 -0.452 -18.151 7.254 771 HG23 THR 105 2HG2 THR 105 -2.013 -18.706 6.649 772 H THR 106 H THR 106 -2.048 -16.419 4.202 773 HA THR 106 HA THR 106 -4.558 -16.619 3.204 774 HB THR 106 HB THR 106 -3.629 -18.291 1.526 775 HG1 THR 106 1HG THR 106 -1.295 -18.516 1.682 776 HG21 THR 106 3HG2 THR 106 -1.820 -15.917 1.869 777 HG22 THR 106 1HG2 THR 106 -3.514 -15.726 1.417 778 HG23 THR 106 2HG2 THR 106 -2.421 -16.641 0.378 779 H ARG 107 H ARG 107 -5.975 -18.372 2.667 780 HA ARG 107 HA ARG 107 -6.305 -20.218 4.846 781 HB2 ARG 107 1HB ARG 107 -7.896 -20.236 2.291 782 HB3 ARG 107 2HB ARG 107 -8.401 -20.742 3.898 783 HG2 ARG 107 1HG ARG 107 -7.836 -17.908 3.051 784 HG3 ARG 107 2HG ARG 107 -9.434 -18.632 3.239 785 HD2 ARG 107 1HD ARG 107 -7.458 -18.601 5.494 786 HD3 ARG 107 2HD ARG 107 -8.496 -17.214 5.169 787 HE ARG 107 HE ARG 107 -10.243 -19.271 5.280 788 HH11 ARG 107 1HH1 ARG 107 -7.719 -18.169 7.409 789 HH12 ARG 107 2HH1 ARG 107 -8.507 -18.730 8.847 790 HH21 ARG 107 1HH2 ARG 107 -11.291 -20.014 7.165 791 HH22 ARG 107 2HH2 ARG 107 -10.539 -19.780 8.706 792 H SER 108 H SER 108 -6.928 -22.556 4.259 793 HA SER 108 HA SER 108 -4.734 -23.643 2.649 794 HB2 SER 108 1HB SER 108 -6.333 -24.641 4.960 795 HB3 SER 108 2HB SER 108 -5.690 -25.832 3.830 796 HG SER 108 HG SER 108 -3.630 -25.096 4.256 797 H ILE 109 H ILE 109 -5.053 -24.808 0.841 798 HA ILE 109 HA ILE 109 -7.353 -24.608 -0.663 799 HB ILE 109 HB ILE 109 -5.300 -26.819 -0.802 800 HG12 ILE 109 1HG1 ILE 109 -4.422 -24.473 -0.985 801 HG13 ILE 109 2HG1 ILE 109 -4.153 -25.460 -2.418 802 HG21 ILE 109 1HG2 ILE 109 -6.767 -25.924 -3.205 803 HG22 ILE 109 2HG2 ILE 109 -6.206 -27.532 -2.750 804 HG23 ILE 109 3HG2 ILE 109 -7.677 -26.876 -2.032 805 HD11 ILE 109 3HD1 ILE 109 -6.617 -23.838 -2.378 806 HD12 ILE 109 1HD1 ILE 109 -5.090 -22.967 -2.510 807 HD13 ILE 109 2HD1 ILE 109 -5.509 -24.197 -3.702 808 H THR 110 H THR 110 -6.380 -27.220 1.517 809 HA THR 110 HA THR 110 -8.691 -28.824 0.945 810 HB THR 110 HB THR 110 -6.787 -30.043 1.638 811 HG1 THR 110 1HG THR 110 -8.348 -29.936 4.008 812 HG21 THR 110 3HG2 THR 110 -5.829 -29.626 3.981 813 HG22 THR 110 1HG2 THR 110 -6.656 -28.071 3.902 814 HG23 THR 110 2HG2 THR 110 -5.415 -28.471 2.714 815 H SER 111 H SER 111 -10.213 -26.993 1.339 816 HA SER 111 HA SER 111 -10.631 -26.020 3.978 817 HB2 SER 111 1HB SER 111 -12.235 -25.956 1.437 818 HB3 SER 111 2HB SER 111 -12.939 -25.393 2.953 819 HG SER 111 HG SER 111 -10.407 -24.443 2.298 820 H GLY 112 H GLY 112 -10.854 -27.685 5.434 821 HA2 GLY 112 1HA GLY 112 -12.070 -30.067 5.343 822 HA3 GLY 112 2HA GLY 112 -12.228 -29.024 6.749 823 HA PRO 113 HA PRO 113 -16.288 -29.572 4.181 824 HB2 PRO 113 1HB PRO 113 -17.229 -31.957 5.075 825 HB3 PRO 113 2HB PRO 113 -16.233 -31.801 3.623 826 HG2 PRO 113 1HG PRO 113 -15.432 -32.609 6.391 827 HG3 PRO 113 2HG PRO 113 -14.946 -33.310 4.836 828 HD2 PRO 113 1HD PRO 113 -13.367 -31.600 6.220 829 HD3 PRO 113 2HD PRO 113 -13.373 -31.671 4.446 830 H SER 114 H SER 114 -15.259 -30.096 7.442 831 HA SER 114 HA SER 114 -16.256 -29.787 9.477 832 HB2 SER 114 1HB SER 114 -17.516 -27.548 7.876 833 HB3 SER 114 2HB SER 114 -17.567 -27.663 9.635 834 HG SER 114 HG SER 114 -15.417 -27.314 9.734 835 H SER 115 H SER 115 -17.527 -31.770 7.931 836 HA SER 115 HA SER 115 -20.389 -31.361 8.193 837 HB2 SER 115 1HB SER 115 -19.295 -32.618 6.269 838 HB3 SER 115 2HB SER 115 -18.984 -33.921 7.417 839 HG SER 115 HG SER 115 -21.288 -33.250 6.147 840 H GLY 116 H GLY 116 -21.733 -32.978 9.321 841 HA2 GLY 116 1HA GLY 116 -21.816 -34.770 10.982 842 HA3 GLY 116 2HA GLY 116 -20.365 -34.081 11.695 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.271 10.348 -19.422 2 HA2 GLY 1 1HA GLY 1 -6.668 11.454 -19.619 3 HA3 GLY 1 2HA GLY 1 -7.112 9.904 -18.919 4 H SER 2 H SER 2 -7.565 12.430 -17.711 5 HA SER 2 HA SER 2 -6.164 11.979 -15.202 6 HB2 SER 2 1HB SER 2 -5.374 14.223 -14.951 7 HB3 SER 2 2HB SER 2 -4.827 13.669 -16.533 8 HG SER 2 HG SER 2 -6.409 15.755 -15.925 9 H SER 3 H SER 3 -7.379 12.458 -13.437 10 HA SER 3 HA SER 3 -10.165 13.055 -13.892 11 HB2 SER 3 1HB SER 3 -9.350 11.328 -12.246 12 HB3 SER 3 2HB SER 3 -8.764 12.653 -11.241 13 HG SER 3 HG SER 3 -10.730 12.482 -10.460 14 H GLY 4 H GLY 4 -11.338 14.724 -12.766 15 HA2 GLY 4 1HA GLY 4 -10.378 17.277 -13.113 16 HA3 GLY 4 2HA GLY 4 -11.675 16.867 -12.001 17 H SER 5 H SER 5 -8.696 18.273 -12.238 18 HA SER 5 HA SER 5 -7.522 17.443 -9.774 19 HB2 SER 5 1HB SER 5 -6.031 18.320 -11.402 20 HB3 SER 5 2HB SER 5 -7.009 19.770 -11.627 21 HG SER 5 HG SER 5 -5.940 19.211 -9.094 22 H SER 6 H SER 6 -8.972 20.559 -10.738 23 HA SER 6 HA SER 6 -9.792 22.276 -9.460 24 HB2 SER 6 1HB SER 6 -11.550 20.307 -9.478 25 HB3 SER 6 2HB SER 6 -11.169 20.235 -7.757 26 HG SER 6 HG SER 6 -11.881 22.312 -7.515 27 H GLY 7 H GLY 7 -7.240 21.452 -8.590 28 HA2 GLY 7 1HA GLY 7 -5.864 21.339 -6.717 29 HA3 GLY 7 2HA GLY 7 -6.741 22.816 -6.346 30 HA PRO 8 HA PRO 8 -8.702 19.091 -3.892 31 HB2 PRO 8 1HB PRO 8 -6.953 17.074 -3.398 32 HB3 PRO 8 2HB PRO 8 -8.028 17.091 -4.801 33 HG2 PRO 8 1HG PRO 8 -5.134 17.835 -4.624 34 HG3 PRO 8 2HG PRO 8 -5.972 16.891 -5.869 35 HD2 PRO 8 1HD PRO 8 -5.340 19.503 -6.200 36 HD3 PRO 8 2HD PRO 8 -6.786 18.771 -6.925 37 H GLU 9 H GLU 9 -5.852 20.806 -3.612 38 HA GLU 9 HA GLU 9 -5.397 20.159 -0.807 39 HB2 GLU 9 1HB GLU 9 -3.454 20.456 -2.283 40 HB3 GLU 9 2HB GLU 9 -3.966 22.102 -2.630 41 HG2 GLU 9 1HG GLU 9 -3.448 22.846 -0.485 42 HG3 GLU 9 2HG GLU 9 -3.412 21.211 0.173 43 H ASN 10 H ASN 10 -7.105 20.987 0.326 44 HA ASN 10 HA ASN 10 -7.410 23.915 0.240 45 HB2 ASN 10 1HB ASN 10 -9.389 22.889 -0.745 46 HB3 ASN 10 2HB ASN 10 -9.581 21.850 0.664 47 HD21 ASN 10 1HD2 ASN 10 -11.596 22.593 1.193 48 HD22 ASN 10 2HD2 ASN 10 -11.887 24.185 1.798 49 H ASP 11 H ASP 11 -6.515 24.686 2.035 50 HA ASP 11 HA ASP 11 -5.844 24.895 4.207 51 HB2 ASP 11 1HB ASP 11 -8.671 23.887 4.490 52 HB3 ASP 11 2HB ASP 11 -7.703 24.364 5.882 53 H LEU 12 H LEU 12 -4.712 22.691 3.138 54 HA LEU 12 HA LEU 12 -4.902 20.696 5.299 55 HB2 LEU 12 1HB LEU 12 -3.981 20.139 2.490 56 HB3 LEU 12 2HB LEU 12 -4.346 18.972 3.759 57 HG LEU 12 HG LEU 12 -6.368 20.720 2.357 58 HD11 LEU 12 1HD1 LEU 12 -6.253 19.217 0.725 59 HD12 LEU 12 2HD1 LEU 12 -6.917 18.046 1.864 60 HD13 LEU 12 3HD1 LEU 12 -5.171 18.183 1.659 61 HD21 LEU 12 3HD2 LEU 12 -7.919 18.994 3.479 62 HD22 LEU 12 1HD2 LEU 12 -7.266 20.305 4.462 63 HD23 LEU 12 2HD2 LEU 12 -6.555 18.694 4.557 64 H ASP 13 H ASP 13 -2.769 19.296 5.254 65 HA ASP 13 HA ASP 13 -0.480 21.144 5.080 66 HB2 ASP 13 1HB ASP 13 -1.220 20.727 7.431 67 HB3 ASP 13 2HB ASP 13 -0.878 19.016 7.191 68 H GLU 14 H GLU 14 0.391 20.404 3.196 69 HA GLU 14 HA GLU 14 0.751 17.558 2.765 70 HB2 GLU 14 1HB GLU 14 0.153 19.315 0.973 71 HB3 GLU 14 2HB GLU 14 1.858 19.742 1.019 72 HG2 GLU 14 1HG GLU 14 2.523 17.656 0.204 73 HG3 GLU 14 2HG GLU 14 0.960 16.922 0.558 74 H SER 15 H SER 15 2.676 20.380 3.571 75 HA SER 15 HA SER 15 5.236 19.544 3.137 76 HB2 SER 15 1HB SER 15 4.540 21.750 4.113 77 HB3 SER 15 2HB SER 15 4.341 20.941 5.667 78 HG SER 15 HG SER 15 6.590 21.851 4.507 79 H GLN 16 H GLN 16 2.966 18.230 5.364 80 HA GLN 16 HA GLN 16 5.079 16.605 6.614 81 HB2 GLN 16 1HB GLN 16 3.705 16.346 8.520 82 HB3 GLN 16 2HB GLN 16 3.595 18.047 8.088 83 HG2 GLN 16 1HG GLN 16 1.422 17.859 7.347 84 HG3 GLN 16 2HG GLN 16 1.559 16.125 7.063 85 HE21 GLN 16 1HE2 GLN 16 0.535 18.531 9.181 86 HE22 GLN 16 2HE2 GLN 16 0.167 17.530 10.540 87 H VAL 17 H VAL 17 4.874 14.377 6.707 88 HA VAL 17 HA VAL 17 3.472 13.162 4.549 89 HB VAL 17 HB VAL 17 4.277 11.016 5.520 90 HG11 VAL 17 1HG1 VAL 17 6.118 13.302 4.965 91 HG12 VAL 17 2HG1 VAL 17 6.782 11.732 5.424 92 HG13 VAL 17 3HG1 VAL 17 5.770 11.877 3.986 93 HG21 VAL 17 3HG2 VAL 17 4.893 12.814 7.785 94 HG22 VAL 17 1HG2 VAL 17 4.435 11.111 7.778 95 HG23 VAL 17 2HG2 VAL 17 6.094 11.579 7.406 96 HA PRO 18 HA PRO 18 -0.400 12.222 6.412 97 HB2 PRO 18 1HB PRO 18 -1.073 10.012 4.986 98 HB3 PRO 18 2HB PRO 18 -1.111 11.643 4.305 99 HG2 PRO 18 1HG PRO 18 0.989 9.526 4.036 100 HG3 PRO 18 2HG PRO 18 0.325 10.607 2.797 101 HD2 PRO 18 1HD PRO 18 2.706 11.062 4.002 102 HD3 PRO 18 2HD PRO 18 1.648 12.377 3.453 103 H ASP 19 H ASP 19 -0.984 11.207 8.228 104 HA ASP 19 HA ASP 19 0.704 9.267 9.440 105 HB2 ASP 19 1HB ASP 19 -1.908 10.547 10.148 106 HB3 ASP 19 2HB ASP 19 -1.375 9.129 11.047 107 H GLN 20 H GLN 20 -0.140 7.170 10.304 108 HA GLN 20 HA GLN 20 -0.918 5.489 8.199 109 HB2 GLN 20 1HB GLN 20 -0.961 3.722 9.804 110 HB3 GLN 20 2HB GLN 20 0.346 4.807 10.259 111 HG2 GLN 20 1HG GLN 20 -1.513 5.882 11.773 112 HG3 GLN 20 2HG GLN 20 -2.250 4.289 11.608 113 HE21 GLN 20 1HE2 GLN 20 0.593 3.227 11.307 114 HE22 GLN 20 2HE2 GLN 20 1.152 3.093 12.936 115 HA PRO 21 HA PRO 21 -5.302 5.611 8.112 116 HB2 PRO 21 1HB PRO 21 -5.928 3.014 7.629 117 HB3 PRO 21 2HB PRO 21 -5.207 4.071 6.409 118 HG2 PRO 21 1HG PRO 21 -3.896 2.025 8.157 119 HG3 PRO 21 2HG PRO 21 -3.641 2.352 6.433 120 HD2 PRO 21 1HD PRO 21 -1.957 3.255 8.351 121 HD3 PRO 21 2HD PRO 21 -2.261 4.151 6.849 122 H SER 22 H SER 22 -6.631 5.882 9.780 123 HA SER 22 HA SER 22 -6.474 5.214 12.325 124 HB2 SER 22 1HB SER 22 -8.743 5.602 12.565 125 HB3 SER 22 2HB SER 22 -8.462 6.292 10.967 126 HG SER 22 HG SER 22 -9.734 3.897 11.681 127 H SER 23 H SER 23 -7.587 2.967 9.838 128 HA SER 23 HA SER 23 -6.808 0.725 11.487 129 HB2 SER 23 1HB SER 23 -9.028 -0.395 11.302 130 HB3 SER 23 2HB SER 23 -9.071 1.057 12.303 131 HG SER 23 HG SER 23 -10.078 2.150 10.676 132 H LEU 24 H LEU 24 -6.656 -1.246 10.317 133 HA LEU 24 HA LEU 24 -7.042 -1.048 7.416 134 HB2 LEU 24 1HB LEU 24 -4.799 -0.633 7.395 135 HB3 LEU 24 2HB LEU 24 -4.512 -1.512 8.895 136 HG LEU 24 HG LEU 24 -4.885 -3.635 7.554 137 HD11 LEU 24 1HD1 LEU 24 -5.884 -3.098 5.573 138 HD12 LEU 24 2HD1 LEU 24 -4.196 -3.124 5.064 139 HD13 LEU 24 3HD1 LEU 24 -4.991 -1.587 5.402 140 HD21 LEU 24 3HD2 LEU 24 -2.647 -2.304 8.158 141 HD22 LEU 24 1HD2 LEU 24 -2.529 -2.271 6.399 142 HD23 LEU 24 2HD2 LEU 24 -2.648 -3.813 7.246 143 H HIS 25 H HIS 25 -8.519 -2.577 7.047 144 HA HIS 25 HA HIS 25 -8.487 -5.063 8.554 145 HB2 HIS 25 1HB HIS 25 -10.641 -3.990 8.188 146 HB3 HIS 25 2HB HIS 25 -10.394 -4.030 6.445 147 HD1 HIS 25 1HD HIS 25 -12.337 -5.531 5.856 148 HD2 HIS 25 2HD HIS 25 -9.832 -7.178 8.733 149 HE1 HIS 25 1HE HIS 25 -13.092 -7.915 6.121 150 HE2 HIS 25 2HE HIS 25 -11.617 -8.867 7.927 151 H VAL 26 H VAL 26 -7.990 -7.048 7.751 152 HA VAL 26 HA VAL 26 -7.350 -7.303 4.906 153 HB VAL 26 HB VAL 26 -5.239 -8.461 5.396 154 HG11 VAL 26 1HG1 VAL 26 -4.277 -6.194 6.642 155 HG12 VAL 26 2HG1 VAL 26 -4.478 -6.422 4.904 156 HG13 VAL 26 3HG1 VAL 26 -5.747 -5.636 5.844 157 HG21 VAL 26 3HG2 VAL 26 -5.731 -9.245 7.642 158 HG22 VAL 26 1HG2 VAL 26 -4.246 -8.294 7.640 159 HG23 VAL 26 2HG2 VAL 26 -5.746 -7.586 8.240 160 H ARG 27 H ARG 27 -7.858 -9.250 4.053 161 HA ARG 27 HA ARG 27 -8.595 -11.411 5.911 162 HB2 ARG 27 1HB ARG 27 -10.166 -10.223 3.663 163 HB3 ARG 27 2HB ARG 27 -10.337 -11.940 4.002 164 HG2 ARG 27 1HG ARG 27 -10.860 -11.300 6.381 165 HG3 ARG 27 2HG ARG 27 -10.950 -9.629 5.821 166 HD2 ARG 27 1HD ARG 27 -12.508 -11.690 4.350 167 HD3 ARG 27 2HD ARG 27 -13.089 -11.188 5.937 168 HE ARG 27 HE ARG 27 -12.475 -8.995 4.184 169 HH11 ARG 27 1HH1 ARG 27 -14.904 -11.291 5.156 170 HH12 ARG 27 2HH1 ARG 27 -16.230 -10.309 4.630 171 HH21 ARG 27 1HH2 ARG 27 -14.212 -7.692 3.486 172 HH22 ARG 27 2HH2 ARG 27 -15.835 -8.262 3.679 173 HA PRO 28 HA PRO 28 -5.556 -13.326 3.178 174 HB2 PRO 28 1HB PRO 28 -5.133 -15.466 4.793 175 HB3 PRO 28 2HB PRO 28 -4.375 -13.892 5.065 176 HG2 PRO 28 1HG PRO 28 -6.788 -15.085 6.376 177 HG3 PRO 28 2HG PRO 28 -5.447 -14.185 7.108 178 HD2 PRO 28 1HD PRO 28 -7.843 -13.046 6.567 179 HD3 PRO 28 2HD PRO 28 -6.317 -12.141 6.492 180 H GLN 29 H GLN 29 -6.751 -14.016 1.447 181 HA GLN 29 HA GLN 29 -8.707 -16.137 1.773 182 HB2 GLN 29 1HB GLN 29 -7.840 -14.984 -0.862 183 HB3 GLN 29 2HB GLN 29 -9.393 -15.683 -0.423 184 HG2 GLN 29 1HG GLN 29 -8.357 -13.113 0.738 185 HG3 GLN 29 2HG GLN 29 -9.354 -13.192 -0.714 186 HE21 GLN 29 1HE2 GLN 29 -10.983 -11.994 0.291 187 HE22 GLN 29 2HE2 GLN 29 -12.025 -12.691 1.479 188 H THR 30 H THR 30 -8.570 -17.708 -0.332 189 HA THR 30 HA THR 30 -6.627 -19.588 0.240 190 HB THR 30 HB THR 30 -7.591 -19.424 -2.576 191 HG1 THR 30 1HG THR 30 -9.304 -20.133 -0.413 192 HG21 THR 30 3HG2 THR 30 -7.144 -21.553 -0.512 193 HG22 THR 30 1HG2 THR 30 -6.450 -21.407 -2.126 194 HG23 THR 30 2HG2 THR 30 -8.141 -21.868 -1.931 195 H ASN 31 H ASN 31 -6.674 -17.694 -2.784 196 HA ASN 31 HA ASN 31 -3.728 -17.729 -2.729 197 HB2 ASN 31 1HB ASN 31 -5.531 -17.642 -5.158 198 HB3 ASN 31 2HB ASN 31 -3.771 -17.700 -5.173 199 HD21 ASN 31 1HD2 ASN 31 -2.970 -19.590 -3.652 200 HD22 ASN 31 2HD2 ASN 31 -3.695 -21.118 -4.004 201 H CYS 32 H CYS 32 -6.275 -15.775 -2.208 202 HA CYS 32 HA CYS 32 -4.803 -13.400 -3.134 203 HB2 CYS 32 1HB CYS 32 -7.235 -12.382 -3.195 204 HB3 CYS 32 2HB CYS 32 -6.601 -13.279 -4.569 205 HG CYS 32 HG CYS 32 -7.855 -15.707 -3.303 206 H ILE 33 H ILE 33 -5.708 -11.375 -1.947 207 HA ILE 33 HA ILE 33 -6.628 -11.857 0.747 208 HB ILE 33 HB ILE 33 -3.907 -10.607 0.363 209 HG12 ILE 33 1HG1 ILE 33 -4.672 -13.350 1.384 210 HG13 ILE 33 2HG1 ILE 33 -3.760 -12.992 -0.078 211 HG21 ILE 33 1HG2 ILE 33 -4.646 -11.530 3.018 212 HG22 ILE 33 2HG2 ILE 33 -3.999 -9.974 2.500 213 HG23 ILE 33 3HG2 ILE 33 -5.732 -10.284 2.403 214 HD11 ILE 33 3HD1 ILE 33 -2.753 -13.538 2.456 215 HD12 ILE 33 1HD1 ILE 33 -1.858 -12.966 1.048 216 HD13 ILE 33 2HD1 ILE 33 -2.498 -11.810 2.216 217 H ILE 34 H ILE 34 -8.237 -10.409 0.695 218 HA ILE 34 HA ILE 34 -7.880 -7.816 -0.553 219 HB ILE 34 HB ILE 34 -10.246 -9.073 0.835 220 HG12 ILE 34 1HG1 ILE 34 -11.205 -9.025 -1.462 221 HG13 ILE 34 2HG1 ILE 34 -9.666 -8.416 -2.062 222 HG21 ILE 34 1HG2 ILE 34 -9.707 -6.307 0.317 223 HG22 ILE 34 2HG2 ILE 34 -11.072 -6.845 -0.661 224 HG23 ILE 34 3HG2 ILE 34 -11.110 -7.044 1.091 225 HD11 ILE 34 3HD1 ILE 34 -9.628 -10.935 -0.507 226 HD12 ILE 34 1HD1 ILE 34 -10.302 -10.980 -2.136 227 HD13 ILE 34 2HD1 ILE 34 -8.645 -10.431 -1.882 228 H MET 35 H MET 35 -7.680 -5.886 0.467 229 HA MET 35 HA MET 35 -7.816 -5.843 3.400 230 HB2 MET 35 1HB MET 35 -5.773 -4.213 3.172 231 HB3 MET 35 2HB MET 35 -5.520 -5.953 3.220 232 HG2 MET 35 1HG MET 35 -5.260 -6.041 0.840 233 HG3 MET 35 2HG MET 35 -5.701 -4.341 0.688 234 HE1 MET 35 3HE MET 35 -2.658 -2.512 2.273 235 HE2 MET 35 1HE MET 35 -4.105 -2.321 1.282 236 HE3 MET 35 2HE MET 35 -4.246 -2.885 2.947 237 H SER 36 H SER 36 -8.821 -4.103 4.221 238 HA SER 36 HA SER 36 -9.313 -1.817 2.430 239 HB2 SER 36 1HB SER 36 -11.404 -2.899 2.479 240 HB3 SER 36 2HB SER 36 -11.251 -3.308 4.187 241 HG SER 36 HG SER 36 -12.517 -1.275 3.220 242 H TRP 37 H TRP 37 -8.375 -0.065 3.220 243 HA TRP 37 HA TRP 37 -8.144 0.220 6.142 244 HB2 TRP 37 1HB TRP 37 -6.247 1.729 5.691 245 HB3 TRP 37 2HB TRP 37 -5.983 0.126 5.009 246 HD1 TRP 37 HD TRP 37 -6.143 3.750 4.064 247 HE1 TRP 37 1HE TRP 37 -5.758 4.006 1.532 248 HE3 TRP 37 3HE TRP 37 -6.504 -1.160 2.687 249 HZ2 TRP 37 2HZ TRP 37 -5.626 2.347 -0.748 250 HZ3 TRP 37 3HZ TRP 37 -6.237 -1.741 0.311 251 HH2 TRP 37 HH TRP 37 -5.808 -0.022 -1.369 252 H THR 38 H THR 38 -7.686 2.815 6.495 253 HA THR 38 HA THR 38 -9.808 4.298 5.120 254 HB THR 38 HB THR 38 -10.130 5.268 7.630 255 HG1 THR 38 1HG THR 38 -8.779 3.621 8.519 256 HG21 THR 38 3HG2 THR 38 -12.137 4.798 6.714 257 HG22 THR 38 1HG2 THR 38 -12.002 3.298 7.631 258 HG23 THR 38 2HG2 THR 38 -11.549 3.334 5.927 259 HA PRO 39 HA PRO 39 -7.091 7.742 5.195 260 HB2 PRO 39 1HB PRO 39 -8.739 9.826 5.755 261 HB3 PRO 39 2HB PRO 39 -8.753 8.980 4.203 262 HG2 PRO 39 1HG PRO 39 -10.578 8.655 6.553 263 HG3 PRO 39 2HG PRO 39 -10.978 8.719 4.827 264 HD2 PRO 39 1HD PRO 39 -10.826 6.392 6.203 265 HD3 PRO 39 2HD PRO 39 -10.401 6.514 4.484 266 HA PRO 40 HA PRO 40 -5.696 8.817 9.224 267 HB2 PRO 40 1HB PRO 40 -4.796 11.357 8.888 268 HB3 PRO 40 2HB PRO 40 -3.960 9.946 8.227 269 HG2 PRO 40 1HG PRO 40 -5.815 11.860 6.864 270 HG3 PRO 40 2HG PRO 40 -4.289 11.173 6.279 271 HD2 PRO 40 1HD PRO 40 -6.704 10.223 5.508 272 HD3 PRO 40 2HD PRO 40 -5.275 9.182 5.665 273 H LEU 41 H LEU 41 -6.431 9.659 11.118 274 HA LEU 41 HA LEU 41 -9.009 10.669 11.324 275 HB2 LEU 41 1HB LEU 41 -6.688 10.824 13.235 276 HB3 LEU 41 2HB LEU 41 -8.325 11.326 13.654 277 HG LEU 41 HG LEU 41 -7.908 8.556 12.642 278 HD11 LEU 41 1HD1 LEU 41 -7.442 9.266 15.524 279 HD12 LEU 41 2HD1 LEU 41 -6.126 9.059 14.369 280 HD13 LEU 41 3HD1 LEU 41 -7.207 7.711 14.725 281 HD21 LEU 41 3HD2 LEU 41 -9.715 9.813 14.705 282 HD22 LEU 41 1HD2 LEU 41 -9.721 8.110 14.246 283 HD23 LEU 41 2HD2 LEU 41 -10.159 9.343 13.063 284 H ASN 42 H ASN 42 -6.187 12.268 10.371 285 HA ASN 42 HA ASN 42 -7.298 14.903 11.047 286 HB2 ASN 42 1HB ASN 42 -4.801 14.059 11.498 287 HB3 ASN 42 2HB ASN 42 -4.585 14.646 9.852 288 HD21 ASN 42 1HD2 ASN 42 -5.124 16.861 9.410 289 HD22 ASN 42 2HD2 ASN 42 -4.993 18.042 10.665 290 HA PRO 43 HA PRO 43 -8.471 14.694 6.662 291 HB2 PRO 43 1HB PRO 43 -10.400 16.593 6.877 292 HB3 PRO 43 2HB PRO 43 -10.665 14.900 7.314 293 HG2 PRO 43 1HG PRO 43 -10.056 17.239 9.080 294 HG3 PRO 43 2HG PRO 43 -11.228 15.930 9.322 295 HD2 PRO 43 1HD PRO 43 -8.811 15.966 10.543 296 HD3 PRO 43 2HD PRO 43 -9.618 14.458 10.068 297 H ASN 44 H ASN 44 -6.905 16.965 8.547 298 HA ASN 44 HA ASN 44 -6.875 19.059 6.522 299 HB2 ASN 44 1HB ASN 44 -5.296 19.031 9.091 300 HB3 ASN 44 2HB ASN 44 -5.784 20.423 8.129 301 HD21 ASN 44 1HD2 ASN 44 -7.010 17.804 10.138 302 HD22 ASN 44 2HD2 ASN 44 -8.420 18.641 10.684 303 H ILE 45 H ILE 45 -5.491 16.234 6.558 304 HA ILE 45 HA ILE 45 -2.823 17.199 5.762 305 HB ILE 45 HB ILE 45 -3.618 14.410 6.609 306 HG12 ILE 45 1HG1 ILE 45 -3.651 15.816 8.542 307 HG13 ILE 45 2HG1 ILE 45 -2.127 14.936 8.579 308 HG21 ILE 45 1HG2 ILE 45 -1.508 15.196 5.009 309 HG22 ILE 45 2HG2 ILE 45 -0.791 15.065 6.614 310 HG23 ILE 45 3HG2 ILE 45 -1.630 13.684 5.908 311 HD11 ILE 45 3HD1 ILE 45 -0.964 16.889 7.726 312 HD12 ILE 45 1HD1 ILE 45 -2.488 17.772 7.642 313 HD13 ILE 45 2HD1 ILE 45 -1.844 17.271 9.206 314 H VAL 46 H VAL 46 -2.036 16.733 3.764 315 HA VAL 46 HA VAL 46 -3.929 15.919 1.757 316 HB VAL 46 HB VAL 46 -1.006 16.649 1.550 317 HG11 VAL 46 1HG1 VAL 46 -1.678 16.927 -0.927 318 HG12 VAL 46 2HG1 VAL 46 -1.339 15.305 -0.319 319 HG13 VAL 46 3HG1 VAL 46 -3.007 15.839 -0.527 320 HG21 VAL 46 3HG2 VAL 46 -3.427 18.212 0.673 321 HG22 VAL 46 1HG2 VAL 46 -2.632 18.435 2.231 322 HG23 VAL 46 2HG2 VAL 46 -1.753 18.761 0.738 323 H VAL 47 H VAL 47 -4.022 14.034 0.647 324 HA VAL 47 HA VAL 47 -2.003 11.980 1.257 325 HB VAL 47 HB VAL 47 -4.994 11.575 1.137 326 HG11 VAL 47 1HG1 VAL 47 -4.647 9.438 0.650 327 HG12 VAL 47 2HG1 VAL 47 -2.925 9.776 0.465 328 HG13 VAL 47 3HG1 VAL 47 -3.563 9.273 2.030 329 HG21 VAL 47 3HG2 VAL 47 -4.621 12.324 3.278 330 HG22 VAL 47 1HG2 VAL 47 -4.376 10.591 3.489 331 HG23 VAL 47 2HG2 VAL 47 -2.986 11.666 3.341 332 H ARG 48 H ARG 48 -1.006 11.410 -0.551 333 HA ARG 48 HA ARG 48 -2.305 11.799 -3.126 334 HB2 ARG 48 1HB ARG 48 0.512 10.981 -2.397 335 HB3 ARG 48 2HB ARG 48 -0.064 11.192 -4.045 336 HG2 ARG 48 1HG ARG 48 0.145 13.309 -1.915 337 HG3 ARG 48 2HG ARG 48 1.135 13.154 -3.368 338 HD2 ARG 48 1HD ARG 48 -1.136 13.304 -4.617 339 HD3 ARG 48 2HD ARG 48 -1.727 13.987 -3.103 340 HE ARG 48 HE ARG 48 0.450 15.479 -3.579 341 HH11 ARG 48 1HH1 ARG 48 -2.228 14.556 -5.603 342 HH12 ARG 48 2HH1 ARG 48 -2.167 15.997 -6.564 343 HH21 ARG 48 1HH2 ARG 48 0.540 17.380 -4.836 344 HH22 ARG 48 2HH2 ARG 48 -0.592 17.602 -6.127 345 H GLY 49 H GLY 49 -1.695 9.283 -0.897 346 HA2 GLY 49 1HA GLY 49 -3.236 7.360 -2.066 347 HA3 GLY 49 2HA GLY 49 -1.656 7.126 -2.799 348 H TYR 50 H TYR 50 -1.564 5.042 -1.834 349 HA TYR 50 HA TYR 50 -0.425 5.109 0.827 350 HB2 TYR 50 1HB TYR 50 -2.519 3.028 0.513 351 HB3 TYR 50 2HB TYR 50 -1.990 3.885 1.957 352 HD1 TYR 50 2HD TYR 50 -4.196 4.011 -0.977 353 HD2 TYR 50 1HD TYR 50 -3.011 5.969 2.610 354 HE1 TYR 50 2HE TYR 50 -6.174 5.466 -1.125 355 HE2 TYR 50 1HE TYR 50 -4.987 7.429 2.473 356 HH TYR 50 HH TYR 50 -6.545 8.260 0.746 357 H ILE 51 H ILE 51 1.236 3.743 0.944 358 HA ILE 51 HA ILE 51 1.745 1.959 -1.282 359 HB ILE 51 HB ILE 51 3.433 2.509 1.162 360 HG12 ILE 51 1HG1 ILE 51 3.888 3.564 -1.624 361 HG13 ILE 51 2HG1 ILE 51 2.916 4.444 -0.450 362 HG21 ILE 51 1HG2 ILE 51 5.073 1.198 0.292 363 HG22 ILE 51 2HG2 ILE 51 3.676 0.357 -0.380 364 HG23 ILE 51 3HG2 ILE 51 4.582 1.497 -1.375 365 HD11 ILE 51 3HD1 ILE 51 4.868 4.448 1.076 366 HD12 ILE 51 1HD1 ILE 51 5.821 3.709 -0.210 367 HD13 ILE 51 2HD1 ILE 51 5.137 5.320 -0.433 368 H ILE 52 H ILE 52 1.408 -0.166 -1.293 369 HA ILE 52 HA ILE 52 0.678 -1.467 1.242 370 HB ILE 52 HB ILE 52 0.037 -2.344 -1.576 371 HG12 ILE 52 1HG1 ILE 52 -1.924 -1.340 0.475 372 HG13 ILE 52 2HG1 ILE 52 -1.100 -0.234 -0.618 373 HG21 ILE 52 1HG2 ILE 52 -1.252 -3.414 0.900 374 HG22 ILE 52 2HG2 ILE 52 -1.123 -4.143 -0.700 375 HG23 ILE 52 3HG2 ILE 52 0.292 -4.065 0.350 376 HD11 ILE 52 3HD1 ILE 52 -3.346 -2.001 -1.097 377 HD12 ILE 52 1HD1 ILE 52 -2.792 -0.596 -2.008 378 HD13 ILE 52 2HD1 ILE 52 -2.071 -2.179 -2.302 379 H GLY 53 H GLY 53 2.489 -2.343 2.076 380 HA2 GLY 53 1HA GLY 53 4.310 -3.792 0.281 381 HA3 GLY 53 2HA GLY 53 4.688 -3.257 1.912 382 H TYR 54 H TYR 54 3.388 -5.776 -0.039 383 HA TYR 54 HA TYR 54 2.905 -7.392 2.378 384 HB2 TYR 54 1HB TYR 54 1.329 -8.721 1.054 385 HB3 TYR 54 2HB TYR 54 0.858 -7.026 1.074 386 HD1 TYR 54 1HD TYR 54 1.517 -5.597 -0.956 387 HD2 TYR 54 2HD TYR 54 1.588 -9.851 -0.974 388 HE1 TYR 54 1HE TYR 54 1.455 -5.581 -3.415 389 HE2 TYR 54 2HE TYR 54 1.527 -9.847 -3.433 390 HH TYR 54 HH TYR 54 1.848 -6.898 -5.275 391 H GLY 55 H GLY 55 3.399 -9.692 2.188 392 HA2 GLY 55 1HA GLY 55 4.765 -10.911 0.111 393 HA3 GLY 55 2HA GLY 55 5.988 -10.109 1.085 394 H VAL 56 H VAL 56 5.534 -12.972 0.604 395 HA VAL 56 HA VAL 56 4.368 -14.244 2.810 396 HB VAL 56 HB VAL 56 6.699 -15.236 1.164 397 HG11 VAL 56 1HG1 VAL 56 6.095 -16.387 3.374 398 HG12 VAL 56 2HG1 VAL 56 4.631 -16.916 2.543 399 HG13 VAL 56 3HG1 VAL 56 6.215 -17.390 1.929 400 HG21 VAL 56 3HG2 VAL 56 5.303 -15.387 -0.556 401 HG22 VAL 56 1HG2 VAL 56 4.259 -16.441 0.398 402 HG23 VAL 56 2HG2 VAL 56 4.002 -14.697 0.414 403 H GLY 57 H GLY 57 4.895 -13.915 4.870 404 HA2 GLY 57 1HA GLY 57 6.203 -14.045 6.778 405 HA3 GLY 57 2HA GLY 57 7.589 -14.411 5.762 406 H SER 58 H SER 58 7.508 -12.137 4.099 407 HA SER 58 HA SER 58 8.004 -9.959 6.019 408 HB2 SER 58 1HB SER 58 9.800 -9.356 4.115 409 HB3 SER 58 2HB SER 58 10.191 -10.378 5.497 410 HG SER 58 HG SER 58 9.201 -11.444 3.073 411 HA PRO 59 HA PRO 59 5.178 -7.788 3.379 412 HB2 PRO 59 1HB PRO 59 5.460 -5.357 4.554 413 HB3 PRO 59 2HB PRO 59 4.522 -6.670 5.276 414 HG2 PRO 59 1HG PRO 59 7.317 -5.785 5.880 415 HG3 PRO 59 2HG PRO 59 6.024 -6.249 7.001 416 HD2 PRO 59 1HD PRO 59 8.032 -7.931 6.317 417 HD3 PRO 59 2HD PRO 59 6.394 -8.503 6.693 418 H TYR 60 H TYR 60 8.354 -7.865 3.066 419 HA TYR 60 HA TYR 60 8.538 -5.472 1.363 420 HB2 TYR 60 1HB TYR 60 10.896 -7.129 2.217 421 HB3 TYR 60 2HB TYR 60 10.859 -5.446 1.703 422 HD1 TYR 60 1HD TYR 60 9.199 -3.972 3.300 423 HD2 TYR 60 2HD TYR 60 11.344 -7.464 4.446 424 HE1 TYR 60 1HE TYR 60 9.103 -3.253 5.650 425 HE2 TYR 60 2HE TYR 60 11.252 -6.755 6.799 426 HH TYR 60 HH TYR 60 10.788 -3.889 7.839 427 H ALA 61 H ALA 61 7.661 -8.517 1.024 428 HA ALA 61 HA ALA 61 9.346 -9.381 -1.141 429 HB1 ALA 61 3HB ALA 61 7.852 -10.756 0.566 430 HB2 ALA 61 1HB ALA 61 6.668 -10.589 -0.731 431 HB3 ALA 61 2HB ALA 61 8.223 -11.358 -1.049 432 H GLU 62 H GLU 62 6.381 -7.591 -0.800 433 HA GLU 62 HA GLU 62 6.410 -7.014 -3.648 434 HB2 GLU 62 1HB GLU 62 4.128 -8.385 -2.246 435 HB3 GLU 62 2HB GLU 62 3.865 -7.411 -3.686 436 HG2 GLU 62 1HG GLU 62 5.203 -8.847 -5.011 437 HG3 GLU 62 2HG GLU 62 5.804 -9.702 -3.593 438 H THR 63 H THR 63 5.930 -4.942 -4.030 439 HA THR 63 HA THR 63 4.569 -3.420 -1.902 440 HB THR 63 HB THR 63 6.031 -1.499 -3.148 441 HG1 THR 63 1HG THR 63 7.118 -3.266 -4.329 442 HG21 THR 63 3HG2 THR 63 7.732 -2.024 -1.206 443 HG22 THR 63 1HG2 THR 63 6.485 -3.172 -0.721 444 HG23 THR 63 2HG2 THR 63 6.101 -1.456 -0.850 445 H VAL 64 H VAL 64 2.876 -2.207 -2.501 446 HA VAL 64 HA VAL 64 2.560 -1.376 -5.273 447 HB VAL 64 HB VAL 64 0.676 -3.269 -3.891 448 HG11 VAL 64 1HG1 VAL 64 -0.814 -1.597 -4.587 449 HG12 VAL 64 2HG1 VAL 64 0.079 -1.303 -6.081 450 HG13 VAL 64 3HG1 VAL 64 -0.847 -2.792 -5.884 451 HG21 VAL 64 3HG2 VAL 64 2.221 -4.427 -5.225 452 HG22 VAL 64 1HG2 VAL 64 0.774 -4.302 -6.225 453 HG23 VAL 64 2HG2 VAL 64 2.141 -3.226 -6.513 454 H ARG 65 H ARG 65 2.237 0.738 -5.054 455 HA ARG 65 HA ARG 65 0.628 1.716 -2.805 456 HB2 ARG 65 1HB ARG 65 1.905 3.582 -2.787 457 HB3 ARG 65 2HB ARG 65 3.046 2.572 -3.665 458 HG2 ARG 65 1HG ARG 65 1.983 3.441 -5.787 459 HG3 ARG 65 2HG ARG 65 1.155 4.624 -4.772 460 HD2 ARG 65 1HD ARG 65 3.258 5.520 -4.017 461 HD3 ARG 65 2HD ARG 65 4.145 4.253 -4.862 462 HE ARG 65 HE ARG 65 3.092 6.666 -5.988 463 HH11 ARG 65 1HH1 ARG 65 3.955 3.362 -6.666 464 HH12 ARG 65 2HH1 ARG 65 4.227 3.643 -8.354 465 HH21 ARG 65 1HH2 ARG 65 3.447 7.048 -8.208 466 HH22 ARG 65 2HH2 ARG 65 3.938 5.740 -9.230 467 H VAL 66 H VAL 66 -1.348 2.523 -3.108 468 HA VAL 66 HA VAL 66 -2.298 2.848 -5.868 469 HB VAL 66 HB VAL 66 -4.581 2.762 -4.856 470 HG11 VAL 66 1HG1 VAL 66 -4.273 0.267 -4.101 471 HG12 VAL 66 2HG1 VAL 66 -4.009 0.740 -5.781 472 HG13 VAL 66 3HG1 VAL 66 -2.633 0.512 -4.700 473 HG21 VAL 66 3HG2 VAL 66 -4.737 3.131 -2.663 474 HG22 VAL 66 1HG2 VAL 66 -4.129 1.492 -2.434 475 HG23 VAL 66 2HG2 VAL 66 -3.012 2.856 -2.421 476 H ASP 67 H ASP 67 -4.411 4.447 -5.664 477 HA ASP 67 HA ASP 67 -3.212 7.033 -5.185 478 HB2 ASP 67 1HB ASP 67 -5.659 7.710 -5.961 479 HB3 ASP 67 2HB ASP 67 -4.447 7.163 -7.115 480 H SER 68 H SER 68 -4.810 8.743 -4.222 481 HA SER 68 HA SER 68 -5.237 7.969 -1.493 482 HB2 SER 68 1HB SER 68 -5.444 10.226 -1.034 483 HB3 SER 68 2HB SER 68 -4.494 10.287 -2.518 484 HG SER 68 HG SER 68 -6.131 11.668 -2.888 485 H LYS 69 H LYS 69 -6.979 7.147 -3.998 486 HA LYS 69 HA LYS 69 -9.598 7.772 -2.822 487 HB2 LYS 69 1HB LYS 69 -9.073 8.253 -5.283 488 HB3 LYS 69 2HB LYS 69 -9.120 6.510 -5.516 489 HG2 LYS 69 1HG LYS 69 -11.418 7.913 -4.221 490 HG3 LYS 69 2HG LYS 69 -11.238 7.922 -5.977 491 HD2 LYS 69 1HD LYS 69 -10.975 5.309 -4.600 492 HD3 LYS 69 2HD LYS 69 -12.588 6.022 -4.676 493 HE2 LYS 69 1HE LYS 69 -12.463 6.154 -7.081 494 HE3 LYS 69 2HE LYS 69 -10.789 5.601 -7.060 495 HZ1 LYS 69 3HZ LYS 69 -13.198 4.039 -6.314 496 HZ2 LYS 69 1HZ LYS 69 -11.615 3.504 -6.050 497 HZ3 LYS 69 2HZ LYS 69 -12.167 3.767 -7.627 498 H GLN 70 H GLN 70 -7.780 5.050 -4.224 499 HA GLN 70 HA GLN 70 -9.518 2.990 -3.711 500 HB2 GLN 70 1HB GLN 70 -6.561 2.703 -3.236 501 HB3 GLN 70 2HB GLN 70 -7.684 1.512 -3.878 502 HG2 GLN 70 1HG GLN 70 -6.649 3.977 -5.250 503 HG3 GLN 70 2HG GLN 70 -6.328 2.294 -5.667 504 HE21 GLN 70 1HE2 GLN 70 -9.029 4.553 -5.257 505 HE22 GLN 70 2HE2 GLN 70 -9.960 3.950 -6.582 506 H ARG 71 H ARG 71 -10.510 2.388 -1.913 507 HA ARG 71 HA ARG 71 -9.272 2.977 0.675 508 HB2 ARG 71 1HB ARG 71 -11.444 3.792 0.721 509 HB3 ARG 71 2HB ARG 71 -12.074 2.459 -0.238 510 HG2 ARG 71 1HG ARG 71 -12.106 1.004 1.594 511 HG3 ARG 71 2HG ARG 71 -11.046 2.045 2.547 512 HD2 ARG 71 1HD ARG 71 -13.234 2.313 3.422 513 HD3 ARG 71 2HD ARG 71 -12.872 3.771 2.499 514 HE ARG 71 HE ARG 71 -14.168 2.031 0.775 515 HH11 ARG 71 1HH1 ARG 71 -14.862 3.720 3.739 516 HH12 ARG 71 2HH1 ARG 71 -16.560 3.852 3.419 517 HH21 ARG 71 1HH2 ARG 71 -16.401 2.198 0.342 518 HH22 ARG 71 2HH2 ARG 71 -17.434 2.985 1.487 519 H TYR 72 H TYR 72 -9.267 0.507 -1.447 520 HA TYR 72 HA TYR 72 -8.409 -1.396 0.502 521 HB2 TYR 72 1HB TYR 72 -10.118 -2.948 0.477 522 HB3 TYR 72 2HB TYR 72 -11.037 -1.448 0.404 523 HD1 TYR 72 1HD TYR 72 -12.079 -0.734 -1.714 524 HD2 TYR 72 2HD TYR 72 -10.087 -4.478 -1.370 525 HE1 TYR 72 1HE TYR 72 -13.169 -1.497 -3.782 526 HE2 TYR 72 2HE TYR 72 -11.171 -5.251 -3.438 527 HH TYR 72 HH TYR 72 -13.432 -4.584 -4.690 528 H TYR 73 H TYR 73 -7.300 -3.132 -0.409 529 HA TYR 73 HA TYR 73 -7.102 -3.154 -3.344 530 HB2 TYR 73 1HB TYR 73 -5.186 -1.921 -2.286 531 HB3 TYR 73 2HB TYR 73 -4.737 -3.419 -1.479 532 HD1 TYR 73 2HD TYR 73 -3.863 -5.314 -2.775 533 HD2 TYR 73 1HD TYR 73 -4.763 -1.593 -4.632 534 HE1 TYR 73 2HE TYR 73 -2.548 -5.985 -4.743 535 HE2 TYR 73 1HE TYR 73 -3.452 -2.254 -6.605 536 HH TYR 73 HH TYR 73 -2.782 -4.756 -7.615 537 H SER 74 H SER 74 -7.303 -5.111 -4.214 538 HA SER 74 HA SER 74 -7.342 -7.428 -2.429 539 HB2 SER 74 1HB SER 74 -8.135 -7.501 -5.327 540 HB3 SER 74 2HB SER 74 -8.714 -8.499 -3.993 541 HG SER 74 HG SER 74 -9.409 -6.175 -3.248 542 H ILE 75 H ILE 75 -5.348 -8.245 -2.172 543 HA ILE 75 HA ILE 75 -3.415 -8.276 -4.303 544 HB ILE 75 HB ILE 75 -3.270 -9.675 -1.631 545 HG12 ILE 75 1HG1 ILE 75 -2.189 -6.955 -2.393 546 HG13 ILE 75 2HG1 ILE 75 -3.656 -7.211 -1.455 547 HG21 ILE 75 1HG2 ILE 75 -1.057 -8.805 -3.483 548 HG22 ILE 75 2HG2 ILE 75 -0.895 -9.725 -1.988 549 HG23 ILE 75 3HG2 ILE 75 -1.691 -10.447 -3.385 550 HD11 ILE 75 3HD1 ILE 75 -2.480 -8.016 0.383 551 HD12 ILE 75 1HD1 ILE 75 -1.026 -8.328 -0.566 552 HD13 ILE 75 2HD1 ILE 75 -1.503 -6.669 -0.200 553 H GLU 76 H GLU 76 -3.132 -9.816 -5.773 554 HA GLU 76 HA GLU 76 -4.223 -12.497 -5.232 555 HB2 GLU 76 1HB GLU 76 -4.240 -11.089 -7.906 556 HB3 GLU 76 2HB GLU 76 -4.892 -12.684 -7.562 557 HG2 GLU 76 1HG GLU 76 -6.309 -11.312 -5.795 558 HG3 GLU 76 2HG GLU 76 -5.990 -10.007 -6.936 559 H ARG 77 H ARG 77 -3.320 -14.052 -7.058 560 HA ARG 77 HA ARG 77 -1.530 -15.125 -7.973 561 HB2 ARG 77 1HB ARG 77 -0.021 -12.520 -7.752 562 HB3 ARG 77 2HB ARG 77 0.327 -13.872 -8.822 563 HG2 ARG 77 1HG ARG 77 -2.200 -12.250 -8.975 564 HG3 ARG 77 2HG ARG 77 -0.745 -11.885 -9.905 565 HD2 ARG 77 1HD ARG 77 -2.216 -14.516 -9.985 566 HD3 ARG 77 2HD ARG 77 -2.431 -13.215 -11.156 567 HE ARG 77 HE ARG 77 0.303 -13.955 -10.922 568 HH11 ARG 77 1HH1 ARG 77 -2.732 -14.942 -12.314 569 HH12 ARG 77 2HH1 ARG 77 -1.999 -15.815 -13.619 570 HH21 ARG 77 1HH2 ARG 77 1.280 -15.102 -12.636 571 HH22 ARG 77 2HH2 ARG 77 0.283 -15.906 -13.800 572 H LEU 78 H LEU 78 -1.962 -15.374 -5.270 573 HA LEU 78 HA LEU 78 0.773 -15.447 -4.175 574 HB2 LEU 78 1HB LEU 78 -1.742 -15.403 -2.532 575 HB3 LEU 78 2HB LEU 78 -0.086 -15.132 -1.996 576 HG LEU 78 HG LEU 78 -1.510 -13.252 -3.865 577 HD11 LEU 78 1HD1 LEU 78 -2.172 -11.919 -2.026 578 HD12 LEU 78 2HD1 LEU 78 -1.280 -12.923 -0.884 579 HD13 LEU 78 3HD1 LEU 78 -2.721 -13.559 -1.677 580 HD21 LEU 78 3HD2 LEU 78 0.667 -12.625 -3.997 581 HD22 LEU 78 1HD2 LEU 78 1.078 -13.316 -2.427 582 HD23 LEU 78 2HD2 LEU 78 0.246 -11.764 -2.516 583 H GLU 79 H GLU 79 0.719 -17.128 -2.203 584 HA GLU 79 HA GLU 79 -0.116 -19.658 -3.422 585 HB2 GLU 79 1HB GLU 79 1.476 -20.714 -1.888 586 HB3 GLU 79 2HB GLU 79 2.250 -19.461 -2.847 587 HG2 GLU 79 1HG GLU 79 1.716 -17.955 -0.785 588 HG3 GLU 79 2HG GLU 79 1.610 -19.497 0.062 589 H SER 80 H SER 80 -0.359 -21.378 -1.434 590 HA SER 80 HA SER 80 -2.482 -20.264 0.281 591 HB2 SER 80 1HB SER 80 -3.812 -22.135 -0.060 592 HB3 SER 80 2HB SER 80 -3.049 -21.965 -1.641 593 HG SER 80 HG SER 80 -1.898 -23.724 -1.294 594 H SER 81 H SER 81 -2.623 -20.984 2.405 595 HA SER 81 HA SER 81 -1.867 -21.712 4.424 596 HB2 SER 81 1HB SER 81 -1.861 -23.920 3.014 597 HB3 SER 81 2HB SER 81 -0.108 -23.743 3.088 598 HG SER 81 HG SER 81 -0.276 -24.615 4.984 599 H SER 82 H SER 82 -0.658 -19.501 3.716 600 HA SER 82 HA SER 82 2.016 -19.810 4.792 601 HB2 SER 82 1HB SER 82 1.475 -18.835 2.000 602 HB3 SER 82 2HB SER 82 2.878 -18.254 2.896 603 HG SER 82 HG SER 82 2.396 -20.722 1.771 604 H HIS 83 H HIS 83 2.672 -18.063 5.952 605 HA HIS 83 HA HIS 83 0.711 -16.093 6.605 606 HB2 HIS 83 1HB HIS 83 2.319 -17.003 8.259 607 HB3 HIS 83 2HB HIS 83 3.630 -16.206 7.393 608 HD1 HIS 83 1HD HIS 83 3.721 -15.225 10.033 609 HD2 HIS 83 2HD HIS 83 0.839 -13.737 7.437 610 HE1 HIS 83 1HE HIS 83 2.999 -13.027 11.019 611 HE2 HIS 83 2HE HIS 83 1.194 -12.186 9.476 612 H TYR 84 H TYR 84 0.356 -14.210 5.644 613 HA TYR 84 HA TYR 84 2.484 -13.083 3.945 614 HB2 TYR 84 1HB TYR 84 -0.450 -13.358 3.554 615 HB3 TYR 84 2HB TYR 84 0.304 -11.889 2.946 616 HD1 TYR 84 1HD TYR 84 0.212 -15.560 2.651 617 HD2 TYR 84 2HD TYR 84 1.735 -11.935 1.026 618 HE1 TYR 84 1HE TYR 84 0.933 -16.774 0.637 619 HE2 TYR 84 2HE TYR 84 2.459 -13.138 -0.993 620 HH TYR 84 HH TYR 84 2.550 -15.088 -2.042 621 H VAL 85 H VAL 85 3.437 -11.532 5.115 622 HA VAL 85 HA VAL 85 2.015 -9.919 7.013 623 HB VAL 85 HB VAL 85 4.772 -9.356 5.939 624 HG11 VAL 85 1HG1 VAL 85 3.309 -8.684 8.478 625 HG12 VAL 85 2HG1 VAL 85 5.061 -8.539 8.321 626 HG13 VAL 85 3HG1 VAL 85 3.999 -7.581 7.288 627 HG21 VAL 85 3HG2 VAL 85 4.860 -11.646 6.557 628 HG22 VAL 85 1HG2 VAL 85 5.564 -10.736 7.895 629 HG23 VAL 85 2HG2 VAL 85 3.918 -11.358 8.020 630 H ILE 86 H ILE 86 0.782 -8.243 6.507 631 HA ILE 86 HA ILE 86 1.336 -6.775 4.018 632 HB ILE 86 HB ILE 86 -1.231 -6.763 5.604 633 HG12 ILE 86 1HG1 ILE 86 -0.937 -8.172 2.983 634 HG13 ILE 86 2HG1 ILE 86 -0.387 -8.982 4.446 635 HG21 ILE 86 1HG2 ILE 86 -1.844 -6.106 3.034 636 HG22 ILE 86 2HG2 ILE 86 -1.564 -4.948 4.333 637 HG23 ILE 86 3HG2 ILE 86 -0.256 -5.363 3.225 638 HD11 ILE 86 3HD1 ILE 86 -2.532 -9.750 4.287 639 HD12 ILE 86 1HD1 ILE 86 -2.760 -8.346 5.329 640 HD13 ILE 86 2HD1 ILE 86 -3.141 -8.239 3.610 641 H SER 87 H SER 87 1.990 -4.726 4.112 642 HA SER 87 HA SER 87 1.563 -3.219 6.603 643 HB2 SER 87 1HB SER 87 3.783 -2.494 6.706 644 HB3 SER 87 2HB SER 87 3.953 -4.181 6.219 645 HG SER 87 HG SER 87 3.971 -3.301 3.999 646 H LEU 88 H LEU 88 0.075 -1.774 5.955 647 HA LEU 88 HA LEU 88 0.489 -0.363 3.414 648 HB2 LEU 88 1HB LEU 88 -1.674 -1.125 3.372 649 HB3 LEU 88 2HB LEU 88 -1.882 -0.950 5.113 650 HG LEU 88 HG LEU 88 -1.755 1.621 4.521 651 HD11 LEU 88 1HD1 LEU 88 -3.099 1.857 2.325 652 HD12 LEU 88 2HD1 LEU 88 -2.423 0.277 1.933 653 HD13 LEU 88 3HD1 LEU 88 -1.350 1.643 2.241 654 HD21 LEU 88 3HD2 LEU 88 -4.131 1.686 4.557 655 HD22 LEU 88 1HD2 LEU 88 -3.637 0.314 5.550 656 HD23 LEU 88 2HD2 LEU 88 -4.250 0.046 3.918 657 H LYS 89 H LYS 89 0.639 1.853 3.306 658 HA LYS 89 HA LYS 89 0.441 3.438 5.732 659 HB2 LYS 89 1HB LYS 89 2.653 4.193 5.803 660 HB3 LYS 89 2HB LYS 89 2.816 2.466 5.515 661 HG2 LYS 89 1HG LYS 89 3.100 2.939 3.103 662 HG3 LYS 89 2HG LYS 89 3.059 4.664 3.473 663 HD2 LYS 89 1HD LYS 89 5.322 4.301 3.472 664 HD3 LYS 89 2HD LYS 89 4.959 4.003 5.174 665 HE2 LYS 89 1HE LYS 89 5.595 2.056 2.997 666 HE3 LYS 89 2HE LYS 89 6.276 2.183 4.618 667 HZ1 LYS 89 3HZ LYS 89 3.472 1.373 4.095 668 HZ2 LYS 89 1HZ LYS 89 4.322 1.268 5.554 669 HZ3 LYS 89 2HZ LYS 89 4.742 0.267 4.258 670 H ALA 90 H ALA 90 0.675 5.775 5.286 671 HA ALA 90 HA ALA 90 -0.493 6.399 2.683 672 HB1 ALA 90 3HB ALA 90 -1.145 8.509 3.657 673 HB2 ALA 90 1HB ALA 90 -1.607 7.194 4.738 674 HB3 ALA 90 2HB ALA 90 -0.187 8.176 5.099 675 H PHE 91 H PHE 91 0.279 8.130 1.383 676 HA PHE 91 HA PHE 91 2.954 9.145 1.961 677 HB2 PHE 91 1HB PHE 91 3.906 8.433 -0.104 678 HB3 PHE 91 2HB PHE 91 3.153 7.011 0.612 679 HD1 PHE 91 1HD PHE 91 2.703 9.650 -1.940 680 HD2 PHE 91 2HD PHE 91 1.478 5.828 -0.524 681 HE1 PHE 91 1HE PHE 91 1.413 9.302 -4.006 682 HE2 PHE 91 2HE PHE 91 0.186 5.473 -2.588 683 HZ PHE 91 HZ PHE 91 0.153 7.211 -4.333 684 H ASN 92 H ASN 92 3.576 10.937 0.569 685 HA ASN 92 HA ASN 92 1.657 12.121 -1.195 686 HB2 ASN 92 1HB ASN 92 1.113 14.082 0.086 687 HB3 ASN 92 2HB ASN 92 0.718 12.673 1.066 688 HD21 ASN 92 1HD2 ASN 92 0.852 14.707 2.555 689 HD22 ASN 92 2HD2 ASN 92 2.358 14.889 3.382 690 H ASN 93 H ASN 93 2.429 14.634 -1.431 691 HA ASN 93 HA ASN 93 4.839 14.571 -2.771 692 HB2 ASN 93 1HB ASN 93 3.134 16.750 -1.662 693 HB3 ASN 93 2HB ASN 93 4.760 17.172 -2.191 694 HD21 ASN 93 1HD2 ASN 93 2.555 14.760 -3.517 695 HD22 ASN 93 2HD2 ASN 93 2.417 15.485 -5.079 696 H ALA 94 H ALA 94 4.297 14.660 0.595 697 HA ALA 94 HA ALA 94 6.894 15.785 1.243 698 HB1 ALA 94 3HB ALA 94 4.449 15.570 2.589 699 HB2 ALA 94 1HB ALA 94 5.581 14.553 3.482 700 HB3 ALA 94 2HB ALA 94 5.956 16.254 3.200 701 H GLY 95 H GLY 95 5.400 12.668 0.875 702 HA2 GLY 95 1HA GLY 95 7.237 10.964 0.364 703 HA3 GLY 95 2HA GLY 95 7.809 11.372 1.975 704 H GLU 96 H GLU 96 7.418 9.679 3.243 705 HA GLU 96 HA GLU 96 4.716 8.505 3.170 706 HB2 GLU 96 1HB GLU 96 7.177 6.975 3.986 707 HB3 GLU 96 2HB GLU 96 5.588 6.345 3.573 708 HG2 GLU 96 1HG GLU 96 5.921 6.626 1.302 709 HG3 GLU 96 2HG GLU 96 7.199 7.818 1.535 710 H GLY 97 H GLY 97 3.802 7.880 5.154 711 HA2 GLY 97 1HA GLY 97 5.097 9.129 7.496 712 HA3 GLY 97 2HA GLY 97 3.358 9.022 7.268 713 H VAL 98 H VAL 98 4.080 8.178 9.612 714 HA VAL 98 HA VAL 98 5.140 5.839 10.283 715 HB VAL 98 HB VAL 98 3.906 7.143 11.906 716 HG11 VAL 98 1HG1 VAL 98 1.846 7.048 10.020 717 HG12 VAL 98 2HG1 VAL 98 1.244 6.163 11.423 718 HG13 VAL 98 3HG1 VAL 98 1.812 7.823 11.604 719 HG21 VAL 98 3HG2 VAL 98 2.531 4.480 11.879 720 HG22 VAL 98 1HG2 VAL 98 4.271 4.601 12.138 721 HG23 VAL 98 2HG2 VAL 98 3.157 5.395 13.251 722 HA PRO 99 HA PRO 99 3.183 3.040 7.339 723 HB2 PRO 99 1HB PRO 99 4.951 1.021 7.751 724 HB3 PRO 99 2HB PRO 99 5.300 2.405 6.709 725 HG2 PRO 99 1HG PRO 99 6.135 1.908 9.540 726 HG3 PRO 99 2HG PRO 99 7.087 2.552 8.190 727 HD2 PRO 99 1HD PRO 99 6.007 4.139 10.099 728 HD3 PRO 99 2HD PRO 99 6.208 4.670 8.417 729 H LEU 100 H LEU 100 1.683 1.478 7.644 730 HA LEU 100 HA LEU 100 1.350 0.459 10.381 731 HB2 LEU 100 1HB LEU 100 -0.456 1.814 9.080 732 HB3 LEU 100 2HB LEU 100 -0.753 0.280 8.264 733 HG LEU 100 HG LEU 100 -1.031 -0.659 10.667 734 HD11 LEU 100 1HD1 LEU 100 -1.953 1.028 12.228 735 HD12 LEU 100 2HD1 LEU 100 -1.422 2.294 11.122 736 HD13 LEU 100 3HD1 LEU 100 -0.234 1.246 11.897 737 HD21 LEU 100 3HD2 LEU 100 -3.247 -0.626 10.275 738 HD22 LEU 100 1HD2 LEU 100 -2.766 0.100 8.742 739 HD23 LEU 100 2HD2 LEU 100 -3.295 1.126 10.076 740 H TYR 101 H TYR 101 1.773 -1.605 10.771 741 HA TYR 101 HA TYR 101 2.117 -3.430 8.510 742 HB2 TYR 101 1HB TYR 101 3.086 -3.422 11.351 743 HB3 TYR 101 2HB TYR 101 3.072 -4.918 10.424 744 HD1 TYR 101 1HD TYR 101 4.347 -1.422 10.336 745 HD2 TYR 101 2HD TYR 101 4.844 -5.428 8.993 746 HE1 TYR 101 1HE TYR 101 6.505 -0.809 9.328 747 HE2 TYR 101 2HE TYR 101 7.004 -4.827 7.982 748 HH TYR 101 HH TYR 101 8.346 -1.563 8.319 749 H GLU 102 H GLU 102 1.390 -5.697 8.802 750 HA GLU 102 HA GLU 102 -0.729 -6.244 10.655 751 HB2 GLU 102 1HB GLU 102 -1.656 -4.825 8.627 752 HB3 GLU 102 2HB GLU 102 -1.617 -6.380 7.807 753 HG2 GLU 102 1HG GLU 102 -3.792 -5.685 8.929 754 HG3 GLU 102 2HG GLU 102 -3.196 -7.315 9.240 755 H SER 103 H SER 103 -1.837 -8.407 9.977 756 HA SER 103 HA SER 103 0.112 -10.165 8.657 757 HB2 SER 103 1HB SER 103 -0.439 -11.883 10.468 758 HB3 SER 103 2HB SER 103 0.592 -10.536 10.951 759 HG SER 103 HG SER 103 -1.594 -11.272 12.116 760 H ALA 104 H ALA 104 -0.747 -11.977 7.633 761 HA ALA 104 HA ALA 104 -3.526 -12.649 7.813 762 HB1 ALA 104 3HB ALA 104 -2.764 -11.684 5.096 763 HB2 ALA 104 1HB ALA 104 -4.359 -11.835 5.832 764 HB3 ALA 104 2HB ALA 104 -3.288 -10.519 6.313 765 H THR 105 H THR 105 -3.340 -14.789 7.810 766 HA THR 105 HA THR 105 -1.347 -16.072 6.094 767 HB THR 105 HB THR 105 -3.092 -17.434 8.144 768 HG1 THR 105 1HG THR 105 -0.521 -16.245 8.488 769 HG21 THR 105 3HG2 THR 105 -1.949 -18.878 6.512 770 HG22 THR 105 1HG2 THR 105 -1.321 -19.109 8.143 771 HG23 THR 105 2HG2 THR 105 -0.404 -18.161 6.971 772 H THR 106 H THR 106 -2.050 -16.484 4.097 773 HA THR 106 HA THR 106 -4.590 -16.601 3.123 774 HB THR 106 HB THR 106 -3.651 -18.243 1.377 775 HG1 THR 106 1HG THR 106 -1.843 -19.143 2.014 776 HG21 THR 106 3HG2 THR 106 -2.821 -15.464 1.951 777 HG22 THR 106 1HG2 THR 106 -3.610 -16.140 0.527 778 HG23 THR 106 2HG2 THR 106 -1.870 -16.330 0.744 779 H ARG 107 H ARG 107 -5.656 -18.636 2.146 780 HA ARG 107 HA ARG 107 -6.083 -20.501 4.353 781 HB2 ARG 107 1HB ARG 107 -7.675 -20.454 1.806 782 HB3 ARG 107 2HB ARG 107 -8.171 -20.991 3.406 783 HG2 ARG 107 1HG ARG 107 -7.529 -18.122 2.797 784 HG3 ARG 107 2HG ARG 107 -9.141 -18.806 2.582 785 HD2 ARG 107 1HD ARG 107 -7.594 -18.891 5.168 786 HD3 ARG 107 2HD ARG 107 -8.787 -17.655 4.770 787 HE ARG 107 HE ARG 107 -9.887 -20.253 4.484 788 HH11 ARG 107 1HH1 ARG 107 -8.962 -17.894 6.871 789 HH12 ARG 107 2HH1 ARG 107 -10.102 -18.449 8.051 790 HH21 ARG 107 1HH2 ARG 107 -11.392 -20.994 6.029 791 HH22 ARG 107 2HH2 ARG 107 -11.483 -20.213 7.572 792 H SER 108 H SER 108 -6.867 -22.779 3.341 793 HA SER 108 HA SER 108 -4.521 -23.750 1.869 794 HB2 SER 108 1HB SER 108 -4.884 -24.816 4.033 795 HB3 SER 108 2HB SER 108 -6.531 -25.244 3.571 796 HG SER 108 HG SER 108 -5.225 -27.019 3.228 797 H ILE 109 H ILE 109 -4.734 -25.129 0.092 798 HA ILE 109 HA ILE 109 -6.891 -24.561 -1.644 799 HB ILE 109 HB ILE 109 -4.719 -26.647 -1.807 800 HG12 ILE 109 1HG1 ILE 109 -4.067 -24.233 -1.934 801 HG13 ILE 109 2HG1 ILE 109 -3.688 -25.149 -3.388 802 HG21 ILE 109 1HG2 ILE 109 -7.122 -26.302 -3.413 803 HG22 ILE 109 2HG2 ILE 109 -5.640 -26.257 -4.367 804 HG23 ILE 109 3HG2 ILE 109 -5.989 -27.651 -3.345 805 HD11 ILE 109 3HD1 ILE 109 -4.579 -22.965 -3.936 806 HD12 ILE 109 1HD1 ILE 109 -5.674 -24.238 -4.474 807 HD13 ILE 109 2HD1 ILE 109 -6.043 -23.314 -3.018 808 H THR 110 H THR 110 -8.722 -25.645 -2.118 809 HA THR 110 HA THR 110 -9.266 -28.093 -0.571 810 HB THR 110 HB THR 110 -11.641 -27.530 -0.689 811 HG1 THR 110 1HG THR 110 -10.748 -25.181 -2.040 812 HG21 THR 110 3HG2 THR 110 -9.641 -25.952 0.664 813 HG22 THR 110 1HG2 THR 110 -11.214 -26.499 1.243 814 HG23 THR 110 2HG2 THR 110 -11.083 -24.990 0.340 815 H SER 111 H SER 111 -10.188 -26.482 -3.618 816 HA SER 111 HA SER 111 -11.434 -28.497 -4.939 817 HB2 SER 111 1HB SER 111 -10.486 -27.532 -7.054 818 HB3 SER 111 2HB SER 111 -11.188 -26.331 -5.969 819 HG SER 111 HG SER 111 -9.319 -25.394 -6.153 820 H GLY 112 H GLY 112 -10.896 -30.574 -5.074 821 HA2 GLY 112 1HA GLY 112 -9.189 -31.865 -6.557 822 HA3 GLY 112 2HA GLY 112 -8.063 -31.303 -5.330 823 HA PRO 113 HA PRO 113 -8.898 -34.960 -3.049 824 HB2 PRO 113 1HB PRO 113 -8.182 -34.121 -0.569 825 HB3 PRO 113 2HB PRO 113 -7.006 -34.467 -1.842 826 HG2 PRO 113 1HG PRO 113 -8.106 -31.831 -0.946 827 HG3 PRO 113 2HG PRO 113 -6.435 -32.267 -1.352 828 HD2 PRO 113 1HD PRO 113 -8.056 -30.949 -3.074 829 HD3 PRO 113 2HD PRO 113 -6.806 -32.085 -3.620 830 H SER 114 H SER 114 -10.377 -31.923 -2.180 831 HA SER 114 HA SER 114 -11.977 -32.412 -0.075 832 HB2 SER 114 1HB SER 114 -13.553 -30.840 -0.946 833 HB3 SER 114 2HB SER 114 -11.970 -30.348 -1.548 834 HG SER 114 HG SER 114 -14.054 -30.728 -2.993 835 H SER 115 H SER 115 -13.468 -33.845 0.503 836 HA SER 115 HA SER 115 -14.848 -35.368 -1.608 837 HB2 SER 115 1HB SER 115 -13.567 -36.367 0.930 838 HB3 SER 115 2HB SER 115 -14.832 -37.285 0.112 839 HG SER 115 HG SER 115 -13.514 -37.670 -1.542 840 H GLY 116 H GLY 116 -16.667 -34.016 -1.450 841 HA2 GLY 116 1HA GLY 116 -18.367 -34.641 0.849 842 HA3 GLY 116 2HA GLY 116 -18.072 -32.945 0.497 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -19.107 17.151 -16.903 2 HA2 GLY 1 1HA GLY 1 -20.656 15.383 -17.920 3 HA3 GLY 1 2HA GLY 1 -19.617 15.554 -19.328 4 H SER 2 H SER 2 -17.424 14.865 -19.185 5 HA SER 2 HA SER 2 -16.743 13.225 -16.856 6 HB2 SER 2 1HB SER 2 -16.784 12.258 -19.720 7 HB3 SER 2 2HB SER 2 -15.942 11.414 -18.421 8 HG SER 2 HG SER 2 -17.893 11.076 -17.399 9 H SER 3 H SER 3 -14.443 12.569 -16.853 10 HA SER 3 HA SER 3 -12.211 12.987 -17.060 11 HB2 SER 3 1HB SER 3 -12.892 13.018 -19.579 12 HB3 SER 3 2HB SER 3 -12.697 14.765 -19.431 13 HG SER 3 HG SER 3 -10.812 13.100 -19.926 14 H GLY 4 H GLY 4 -13.786 14.549 -15.362 15 HA2 GLY 4 1HA GLY 4 -13.012 17.324 -15.706 16 HA3 GLY 4 2HA GLY 4 -13.960 16.659 -14.384 17 H SER 5 H SER 5 -11.851 18.529 -14.092 18 HA SER 5 HA SER 5 -9.634 16.971 -12.993 19 HB2 SER 5 1HB SER 5 -9.203 18.973 -14.459 20 HB3 SER 5 2HB SER 5 -9.879 19.980 -13.179 21 HG SER 5 HG SER 5 -7.517 19.680 -13.198 22 H SER 6 H SER 6 -10.324 16.145 -11.075 23 HA SER 6 HA SER 6 -11.697 17.843 -9.159 24 HB2 SER 6 1HB SER 6 -10.837 14.946 -8.964 25 HB3 SER 6 2HB SER 6 -11.833 15.797 -7.783 26 HG SER 6 HG SER 6 -12.593 15.684 -10.493 27 H GLY 7 H GLY 7 -10.836 18.677 -7.323 28 HA2 GLY 7 1HA GLY 7 -8.106 17.908 -6.573 29 HA3 GLY 7 2HA GLY 7 -8.426 19.598 -6.935 30 HA PRO 8 HA PRO 8 -10.768 18.346 -2.851 31 HB2 PRO 8 1HB PRO 8 -9.632 16.263 -1.531 32 HB3 PRO 8 2HB PRO 8 -10.946 16.060 -2.696 33 HG2 PRO 8 1HG PRO 8 -8.002 15.674 -3.075 34 HG3 PRO 8 2HG PRO 8 -9.345 14.666 -3.644 35 HD2 PRO 8 1HD PRO 8 -8.060 16.424 -5.253 36 HD3 PRO 8 2HD PRO 8 -9.784 16.043 -5.439 37 H GLU 9 H GLU 9 -7.581 18.870 -3.629 38 HA GLU 9 HA GLU 9 -6.526 19.209 -0.972 39 HB2 GLU 9 1HB GLU 9 -5.248 18.667 -3.175 40 HB3 GLU 9 2HB GLU 9 -5.298 20.405 -3.434 41 HG2 GLU 9 1HG GLU 9 -4.260 19.266 -0.872 42 HG3 GLU 9 2HG GLU 9 -3.236 19.374 -2.302 43 H ASN 10 H ASN 10 -7.381 20.776 0.247 44 HA ASN 10 HA ASN 10 -7.042 23.510 -0.516 45 HB2 ASN 10 1HB ASN 10 -9.560 23.994 -0.074 46 HB3 ASN 10 2HB ASN 10 -9.070 23.419 -1.665 47 HD21 ASN 10 1HD2 ASN 10 -9.811 21.502 -2.397 48 HD22 ASN 10 2HD2 ASN 10 -10.909 20.491 -1.526 49 H ASP 11 H ASP 11 -6.131 24.195 1.306 50 HA ASP 11 HA ASP 11 -5.926 24.839 3.486 51 HB2 ASP 11 1HB ASP 11 -8.549 25.007 3.176 52 HB3 ASP 11 2HB ASP 11 -8.539 23.614 4.254 53 H LEU 12 H LEU 12 -4.917 22.366 2.567 54 HA LEU 12 HA LEU 12 -5.156 20.703 4.988 55 HB2 LEU 12 1HB LEU 12 -4.217 19.725 2.308 56 HB3 LEU 12 2HB LEU 12 -4.724 18.773 3.702 57 HG LEU 12 HG LEU 12 -6.634 20.530 2.183 58 HD11 LEU 12 1HD1 LEU 12 -6.239 17.585 1.719 59 HD12 LEU 12 2HD1 LEU 12 -5.506 18.826 0.704 60 HD13 LEU 12 3HD1 LEU 12 -7.261 18.705 0.818 61 HD21 LEU 12 3HD2 LEU 12 -7.306 19.812 4.423 62 HD22 LEU 12 1HD2 LEU 12 -7.029 18.131 3.968 63 HD23 LEU 12 2HD2 LEU 12 -8.303 19.059 3.178 64 H ASP 13 H ASP 13 -3.065 19.179 5.042 65 HA ASP 13 HA ASP 13 -0.748 20.995 4.883 66 HB2 ASP 13 1HB ASP 13 -1.659 20.155 7.181 67 HB3 ASP 13 2HB ASP 13 -0.858 18.647 6.748 68 H GLU 14 H GLU 14 0.210 20.438 2.999 69 HA GLU 14 HA GLU 14 0.578 17.616 2.350 70 HB2 GLU 14 1HB GLU 14 -0.144 19.510 0.702 71 HB3 GLU 14 2HB GLU 14 1.574 19.878 0.654 72 HG2 GLU 14 1HG GLU 14 2.111 17.893 -0.383 73 HG3 GLU 14 2HG GLU 14 0.650 17.083 0.180 74 H SER 15 H SER 15 2.308 20.300 3.625 75 HA SER 15 HA SER 15 4.938 19.531 2.932 76 HB2 SER 15 1HB SER 15 4.031 21.774 3.931 77 HB3 SER 15 2HB SER 15 4.326 20.989 5.483 78 HG SER 15 HG SER 15 6.079 22.288 4.236 79 H GLN 16 H GLN 16 2.695 18.122 5.007 80 HA GLN 16 HA GLN 16 4.830 16.640 6.394 81 HB2 GLN 16 1HB GLN 16 3.514 16.491 8.350 82 HB3 GLN 16 2HB GLN 16 3.405 18.170 7.839 83 HG2 GLN 16 1HG GLN 16 1.211 17.930 7.099 84 HG3 GLN 16 2HG GLN 16 1.326 16.172 7.039 85 HE21 GLN 16 1HE2 GLN 16 0.445 18.867 8.882 86 HE22 GLN 16 2HE2 GLN 16 0.077 18.046 10.356 87 H VAL 17 H VAL 17 4.640 14.427 6.539 88 HA VAL 17 HA VAL 17 3.251 13.099 4.488 89 HB VAL 17 HB VAL 17 3.877 11.002 5.697 90 HG11 VAL 17 1HG1 VAL 17 5.495 11.590 4.183 91 HG12 VAL 17 2HG1 VAL 17 5.833 13.130 4.974 92 HG13 VAL 17 3HG1 VAL 17 6.428 11.627 5.679 93 HG21 VAL 17 3HG2 VAL 17 4.914 12.974 7.726 94 HG22 VAL 17 1HG2 VAL 17 3.734 11.687 7.975 95 HG23 VAL 17 2HG2 VAL 17 5.421 11.286 7.655 96 HA PRO 18 HA PRO 18 -0.776 12.515 6.163 97 HB2 PRO 18 1HB PRO 18 -1.502 10.280 4.804 98 HB3 PRO 18 2HB PRO 18 -1.402 11.874 4.048 99 HG2 PRO 18 1HG PRO 18 0.576 9.628 4.000 100 HG3 PRO 18 2HG PRO 18 0.049 10.683 2.676 101 HD2 PRO 18 1HD PRO 18 2.383 11.057 3.996 102 HD3 PRO 18 2HD PRO 18 1.439 12.403 3.326 103 H ASP 19 H ASP 19 -1.306 11.752 8.102 104 HA ASP 19 HA ASP 19 0.086 9.933 9.608 105 HB2 ASP 19 1HB ASP 19 -2.708 10.966 9.692 106 HB3 ASP 19 2HB ASP 19 -2.315 9.584 10.712 107 H GLN 20 H GLN 20 -1.071 7.849 10.541 108 HA GLN 20 HA GLN 20 -1.239 6.023 8.298 109 HB2 GLN 20 1HB GLN 20 -0.726 4.344 9.778 110 HB3 GLN 20 2HB GLN 20 -0.007 5.717 10.609 111 HG2 GLN 20 1HG GLN 20 -2.187 5.904 11.885 112 HG3 GLN 20 2HG GLN 20 -2.591 4.322 11.221 113 HE21 GLN 20 1HE2 GLN 20 0.280 3.554 11.284 114 HE22 GLN 20 2HE2 GLN 20 0.604 3.164 12.935 115 HA PRO 21 HA PRO 21 -5.578 5.396 8.207 116 HB2 PRO 21 1HB PRO 21 -5.788 2.709 7.880 117 HB3 PRO 21 2HB PRO 21 -5.224 3.792 6.601 118 HG2 PRO 21 1HG PRO 21 -3.633 2.081 8.474 119 HG3 PRO 21 2HG PRO 21 -3.411 2.342 6.734 120 HD2 PRO 21 1HD PRO 21 -1.911 3.608 8.600 121 HD3 PRO 21 2HD PRO 21 -2.332 4.355 7.045 122 H SER 22 H SER 22 -6.806 5.690 9.958 123 HA SER 22 HA SER 22 -6.507 5.009 12.513 124 HB2 SER 22 1HB SER 22 -8.433 6.284 11.845 125 HB3 SER 22 2HB SER 22 -9.096 4.915 10.952 126 HG SER 22 HG SER 22 -9.243 3.819 12.997 127 H SER 23 H SER 23 -7.518 2.797 9.989 128 HA SER 23 HA SER 23 -6.785 0.534 11.600 129 HB2 SER 23 1HB SER 23 -9.680 1.033 10.902 130 HB3 SER 23 2HB SER 23 -9.060 -0.572 11.291 131 HG SER 23 HG SER 23 -9.413 1.656 12.935 132 H LEU 24 H LEU 24 -6.558 -1.379 10.393 133 HA LEU 24 HA LEU 24 -6.999 -1.133 7.498 134 HB2 LEU 24 1HB LEU 24 -4.735 -0.697 7.567 135 HB3 LEU 24 2HB LEU 24 -4.471 -1.751 8.955 136 HG LEU 24 HG LEU 24 -4.707 -3.713 7.509 137 HD11 LEU 24 1HD1 LEU 24 -4.516 -2.175 5.018 138 HD12 LEU 24 2HD1 LEU 24 -6.082 -2.096 5.824 139 HD13 LEU 24 3HD1 LEU 24 -5.399 -3.659 5.376 140 HD21 LEU 24 3HD2 LEU 24 -2.582 -1.884 7.566 141 HD22 LEU 24 1HD2 LEU 24 -2.732 -2.406 5.889 142 HD23 LEU 24 2HD2 LEU 24 -2.517 -3.601 7.168 143 H HIS 25 H HIS 25 -8.570 -2.605 7.211 144 HA HIS 25 HA HIS 25 -8.546 -5.126 8.632 145 HB2 HIS 25 1HB HIS 25 -10.724 -4.374 8.382 146 HB3 HIS 25 2HB HIS 25 -10.434 -3.754 6.760 147 HD1 HIS 25 1HD HIS 25 -12.383 -6.189 8.233 148 HD2 HIS 25 2HD HIS 25 -9.691 -6.304 5.070 149 HE1 HIS 25 1HE HIS 25 -13.010 -8.220 6.889 150 HE2 HIS 25 2HE HIS 25 -11.314 -8.317 5.029 151 H VAL 26 H VAL 26 -7.958 -7.074 7.850 152 HA VAL 26 HA VAL 26 -7.378 -7.354 4.994 153 HB VAL 26 HB VAL 26 -5.218 -8.408 5.422 154 HG11 VAL 26 1HG1 VAL 26 -4.297 -6.144 6.693 155 HG12 VAL 26 2HG1 VAL 26 -4.553 -6.328 4.957 156 HG13 VAL 26 3HG1 VAL 26 -5.812 -5.613 5.965 157 HG21 VAL 26 3HG2 VAL 26 -4.179 -8.251 7.651 158 HG22 VAL 26 1HG2 VAL 26 -5.696 -7.626 8.296 159 HG23 VAL 26 2HG2 VAL 26 -5.620 -9.267 7.654 160 H ARG 27 H ARG 27 -7.921 -9.299 4.188 161 HA ARG 27 HA ARG 27 -8.471 -11.482 6.083 162 HB2 ARG 27 1HB ARG 27 -10.239 -10.316 3.977 163 HB3 ARG 27 2HB ARG 27 -10.332 -12.044 4.291 164 HG2 ARG 27 1HG ARG 27 -10.666 -11.432 6.731 165 HG3 ARG 27 2HG ARG 27 -10.914 -9.778 6.168 166 HD2 ARG 27 1HD ARG 27 -12.847 -10.346 4.987 167 HD3 ARG 27 2HD ARG 27 -12.454 -12.065 4.993 168 HE ARG 27 HE ARG 27 -13.881 -10.630 6.999 169 HH11 ARG 27 1HH1 ARG 27 -11.700 -13.293 6.482 170 HH12 ARG 27 2HH1 ARG 27 -12.211 -14.156 7.895 171 HH21 ARG 27 1HH2 ARG 27 -14.563 -11.756 8.861 172 HH22 ARG 27 2HH2 ARG 27 -13.840 -13.281 9.247 173 HA PRO 28 HA PRO 28 -5.601 -13.326 3.136 174 HB2 PRO 28 1HB PRO 28 -5.057 -15.488 4.684 175 HB3 PRO 28 2HB PRO 28 -4.302 -13.910 4.939 176 HG2 PRO 28 1HG PRO 28 -6.618 -15.155 6.370 177 HG3 PRO 28 2HG PRO 28 -5.246 -14.251 7.036 178 HD2 PRO 28 1HD PRO 28 -7.683 -13.132 6.660 179 HD3 PRO 28 2HD PRO 28 -6.175 -12.208 6.511 180 H GLN 29 H GLN 29 -6.751 -14.093 1.439 181 HA GLN 29 HA GLN 29 -8.723 -16.197 1.844 182 HB2 GLN 29 1HB GLN 29 -7.948 -14.977 -0.797 183 HB3 GLN 29 2HB GLN 29 -9.456 -15.771 -0.364 184 HG2 GLN 29 1HG GLN 29 -8.578 -13.217 0.936 185 HG3 GLN 29 2HG GLN 29 -9.477 -13.240 -0.580 186 HE21 GLN 29 1HE2 GLN 29 -10.894 -11.947 0.956 187 HE22 GLN 29 2HE2 GLN 29 -12.104 -12.838 1.810 188 H THR 30 H THR 30 -8.679 -17.811 -0.190 189 HA THR 30 HA THR 30 -6.659 -19.638 0.280 190 HB THR 30 HB THR 30 -7.852 -19.555 -2.454 191 HG1 THR 30 1HG THR 30 -9.858 -19.938 -1.727 192 HG21 THR 30 3HG2 THR 30 -6.642 -21.503 -2.113 193 HG22 THR 30 1HG2 THR 30 -8.276 -22.009 -1.688 194 HG23 THR 30 2HG2 THR 30 -7.115 -21.623 -0.419 195 H ASN 31 H ASN 31 -6.976 -17.832 -2.781 196 HA ASN 31 HA ASN 31 -4.033 -17.797 -2.943 197 HB2 ASN 31 1HB ASN 31 -6.040 -17.895 -5.207 198 HB3 ASN 31 2HB ASN 31 -4.291 -17.801 -5.399 199 HD21 ASN 31 1HD2 ASN 31 -3.309 -19.557 -3.667 200 HD22 ASN 31 2HD2 ASN 31 -3.875 -21.155 -4.000 201 H CYS 32 H CYS 32 -6.155 -15.842 -1.894 202 HA CYS 32 HA CYS 32 -4.932 -13.487 -3.088 203 HB2 CYS 32 1HB CYS 32 -7.933 -13.608 -2.846 204 HB3 CYS 32 2HB CYS 32 -6.956 -12.409 -3.684 205 HG CYS 32 HG CYS 32 -7.969 -15.454 -4.726 206 H ILE 33 H ILE 33 -5.807 -11.456 -1.899 207 HA ILE 33 HA ILE 33 -6.671 -11.910 0.818 208 HB ILE 33 HB ILE 33 -3.967 -10.642 0.390 209 HG12 ILE 33 1HG1 ILE 33 -4.662 -13.417 1.375 210 HG13 ILE 33 2HG1 ILE 33 -3.812 -13.020 -0.114 211 HG21 ILE 33 1HG2 ILE 33 -5.784 -10.486 2.502 212 HG22 ILE 33 2HG2 ILE 33 -4.543 -11.617 3.037 213 HG23 ILE 33 3HG2 ILE 33 -4.090 -9.996 2.513 214 HD11 ILE 33 3HD1 ILE 33 -2.532 -13.786 2.048 215 HD12 ILE 33 1HD1 ILE 33 -1.858 -12.573 0.960 216 HD13 ILE 33 2HD1 ILE 33 -2.660 -12.074 2.450 217 H ILE 34 H ILE 34 -8.271 -10.453 0.806 218 HA ILE 34 HA ILE 34 -7.938 -7.876 -0.483 219 HB ILE 34 HB ILE 34 -10.270 -9.128 0.963 220 HG12 ILE 34 1HG1 ILE 34 -11.286 -9.016 -1.322 221 HG13 ILE 34 2HG1 ILE 34 -9.734 -8.460 -1.938 222 HG21 ILE 34 1HG2 ILE 34 -10.923 -7.023 1.372 223 HG22 ILE 34 2HG2 ILE 34 -9.770 -6.339 0.227 224 HG23 ILE 34 3HG2 ILE 34 -11.309 -6.981 -0.348 225 HD11 ILE 34 3HD1 ILE 34 -8.728 -10.513 -1.619 226 HD12 ILE 34 1HD1 ILE 34 -9.924 -11.029 -0.430 227 HD13 ILE 34 2HD1 ILE 34 -10.355 -10.951 -2.139 228 H MET 35 H MET 35 -7.567 -5.977 0.504 229 HA MET 35 HA MET 35 -7.661 -5.894 3.443 230 HB2 MET 35 1HB MET 35 -5.632 -4.265 3.133 231 HB3 MET 35 2HB MET 35 -5.372 -6.004 3.170 232 HG2 MET 35 1HG MET 35 -5.209 -6.090 0.780 233 HG3 MET 35 2HG MET 35 -5.654 -4.390 0.649 234 HE1 MET 35 3HE MET 35 -2.613 -2.628 2.327 235 HE2 MET 35 1HE MET 35 -3.738 -2.332 1.000 236 HE3 MET 35 2HE MET 35 -4.347 -2.840 2.575 237 H SER 36 H SER 36 -8.879 -4.292 4.187 238 HA SER 36 HA SER 36 -9.329 -1.951 2.453 239 HB2 SER 36 1HB SER 36 -11.396 -3.102 2.490 240 HB3 SER 36 2HB SER 36 -11.256 -3.465 4.210 241 HG SER 36 HG SER 36 -12.429 -1.736 4.434 242 H TRP 37 H TRP 37 -8.259 -0.283 3.278 243 HA TRP 37 HA TRP 37 -8.110 0.003 6.201 244 HB2 TRP 37 1HB TRP 37 -6.213 1.522 5.778 245 HB3 TRP 37 2HB TRP 37 -5.941 -0.074 5.085 246 HD1 TRP 37 HD TRP 37 -6.257 3.569 4.144 247 HE1 TRP 37 1HE TRP 37 -5.794 3.843 1.627 248 HE3 TRP 37 3HE TRP 37 -6.227 -1.358 2.783 249 HZ2 TRP 37 2HZ TRP 37 -5.461 2.190 -0.636 250 HZ3 TRP 37 3HZ TRP 37 -5.830 -1.928 0.422 251 HH2 TRP 37 HH TRP 37 -5.455 -0.189 -1.250 252 H THR 38 H THR 38 -7.702 2.566 6.640 253 HA THR 38 HA THR 38 -9.862 4.036 5.290 254 HB THR 38 HB THR 38 -10.104 5.075 7.749 255 HG1 THR 38 1HG THR 38 -9.829 2.362 8.421 256 HG21 THR 38 3HG2 THR 38 -12.089 3.737 8.023 257 HG22 THR 38 1HG2 THR 38 -11.460 2.505 6.930 258 HG23 THR 38 2HG2 THR 38 -11.887 4.100 6.310 259 HA PRO 39 HA PRO 39 -7.141 7.473 5.095 260 HB2 PRO 39 1HB PRO 39 -8.792 9.571 5.587 261 HB3 PRO 39 2HB PRO 39 -8.836 8.646 4.082 262 HG2 PRO 39 1HG PRO 39 -10.601 8.431 6.490 263 HG3 PRO 39 2HG PRO 39 -11.043 8.402 4.773 264 HD2 PRO 39 1HD PRO 39 -10.840 6.150 6.263 265 HD3 PRO 39 2HD PRO 39 -10.457 6.186 4.530 266 HA PRO 40 HA PRO 40 -5.662 8.808 9.015 267 HB2 PRO 40 1HB PRO 40 -4.887 11.368 8.549 268 HB3 PRO 40 2HB PRO 40 -4.013 9.969 7.914 269 HG2 PRO 40 1HG PRO 40 -5.996 11.745 6.544 270 HG3 PRO 40 2HG PRO 40 -4.462 11.100 5.932 271 HD2 PRO 40 1HD PRO 40 -6.858 10.017 5.286 272 HD3 PRO 40 2HD PRO 40 -5.380 9.046 5.433 273 H LEU 41 H LEU 41 -6.501 9.537 10.883 274 HA LEU 41 HA LEU 41 -9.071 10.537 11.097 275 HB2 LEU 41 1HB LEU 41 -6.737 10.615 12.984 276 HB3 LEU 41 2HB LEU 41 -8.317 11.255 13.431 277 HG LEU 41 HG LEU 41 -8.138 8.446 12.451 278 HD11 LEU 41 1HD1 LEU 41 -6.411 9.197 14.397 279 HD12 LEU 41 2HD1 LEU 41 -7.129 7.592 14.264 280 HD13 LEU 41 3HD1 LEU 41 -7.837 8.786 15.351 281 HD21 LEU 41 3HD2 LEU 41 -10.032 10.168 13.799 282 HD22 LEU 41 1HD2 LEU 41 -9.778 8.661 14.679 283 HD23 LEU 41 2HD2 LEU 41 -10.289 8.621 12.991 284 H ASN 42 H ASN 42 -6.261 12.180 10.169 285 HA ASN 42 HA ASN 42 -7.404 14.796 10.859 286 HB2 ASN 42 1HB ASN 42 -4.883 13.956 11.261 287 HB3 ASN 42 2HB ASN 42 -4.704 14.610 9.636 288 HD21 ASN 42 1HD2 ASN 42 -5.376 16.833 9.296 289 HD22 ASN 42 2HD2 ASN 42 -5.213 17.966 10.591 290 HA PRO 43 HA PRO 43 -8.585 14.560 6.466 291 HB2 PRO 43 1HB PRO 43 -10.614 16.348 6.707 292 HB3 PRO 43 2HB PRO 43 -10.788 14.637 7.116 293 HG2 PRO 43 1HG PRO 43 -10.310 16.976 8.922 294 HG3 PRO 43 2HG PRO 43 -11.409 15.601 9.138 295 HD2 PRO 43 1HD PRO 43 -9.001 15.748 10.367 296 HD3 PRO 43 2HD PRO 43 -9.724 14.207 9.865 297 H ASN 44 H ASN 44 -7.090 16.841 8.364 298 HA ASN 44 HA ASN 44 -7.189 18.983 6.385 299 HB2 ASN 44 1HB ASN 44 -5.741 18.896 9.042 300 HB3 ASN 44 2HB ASN 44 -5.988 20.317 8.031 301 HD21 ASN 44 1HD2 ASN 44 -7.590 17.915 10.017 302 HD22 ASN 44 2HD2 ASN 44 -8.993 18.862 10.363 303 H ILE 45 H ILE 45 -5.634 16.220 6.447 304 HA ILE 45 HA ILE 45 -3.025 17.330 5.653 305 HB ILE 45 HB ILE 45 -3.675 14.474 6.388 306 HG12 ILE 45 1HG1 ILE 45 -3.868 16.039 8.304 307 HG13 ILE 45 2HG1 ILE 45 -2.534 14.905 8.489 308 HG21 ILE 45 1HG2 ILE 45 -1.042 14.605 6.648 309 HG22 ILE 45 2HG2 ILE 45 -1.809 14.233 5.105 310 HG23 ILE 45 3HG2 ILE 45 -1.235 15.868 5.433 311 HD11 ILE 45 3HD1 ILE 45 -2.430 17.827 7.844 312 HD12 ILE 45 1HD1 ILE 45 -1.688 16.963 9.190 313 HD13 ILE 45 2HD1 ILE 45 -1.059 16.757 7.555 314 H VAL 46 H VAL 46 -1.996 16.502 3.766 315 HA VAL 46 HA VAL 46 -3.902 15.823 1.668 316 HB VAL 46 HB VAL 46 -0.974 16.548 1.488 317 HG11 VAL 46 1HG1 VAL 46 -1.158 16.539 -0.841 318 HG12 VAL 46 2HG1 VAL 46 -1.990 15.065 -0.342 319 HG13 VAL 46 3HG1 VAL 46 -2.920 16.495 -0.795 320 HG21 VAL 46 3HG2 VAL 46 -3.506 18.118 1.303 321 HG22 VAL 46 1HG2 VAL 46 -1.988 18.522 2.104 322 HG23 VAL 46 2HG2 VAL 46 -2.108 18.609 0.347 323 H VAL 47 H VAL 47 -3.912 13.950 0.524 324 HA VAL 47 HA VAL 47 -1.874 11.930 1.177 325 HB VAL 47 HB VAL 47 -4.822 11.334 0.902 326 HG11 VAL 47 1HG1 VAL 47 -2.478 9.612 1.703 327 HG12 VAL 47 2HG1 VAL 47 -4.171 9.114 1.756 328 HG13 VAL 47 3HG1 VAL 47 -3.409 9.493 0.210 329 HG21 VAL 47 3HG2 VAL 47 -4.100 12.642 2.974 330 HG22 VAL 47 1HG2 VAL 47 -4.981 11.136 3.235 331 HG23 VAL 47 2HG2 VAL 47 -3.231 11.182 3.446 332 H ARG 48 H ARG 48 -0.909 11.187 -0.586 333 HA ARG 48 HA ARG 48 -2.205 11.571 -3.183 334 HB2 ARG 48 1HB ARG 48 0.661 10.864 -2.525 335 HB3 ARG 48 2HB ARG 48 0.028 11.189 -4.134 336 HG2 ARG 48 1HG ARG 48 0.175 13.145 -1.849 337 HG3 ARG 48 2HG ARG 48 1.213 13.115 -3.275 338 HD2 ARG 48 1HD ARG 48 -1.096 13.247 -4.537 339 HD3 ARG 48 2HD ARG 48 -1.636 13.939 -3.008 340 HE ARG 48 HE ARG 48 0.550 15.391 -3.516 341 HH11 ARG 48 1HH1 ARG 48 -2.146 14.502 -5.530 342 HH12 ARG 48 2HH1 ARG 48 -2.064 15.936 -6.499 343 HH21 ARG 48 1HH2 ARG 48 0.669 17.284 -4.784 344 HH22 ARG 48 2HH2 ARG 48 -0.461 17.517 -6.074 345 H GLY 49 H GLY 49 -1.755 9.177 -0.895 346 HA2 GLY 49 1HA GLY 49 -3.072 7.134 -1.948 347 HA3 GLY 49 2HA GLY 49 -1.551 6.989 -2.817 348 H TYR 50 H TYR 50 -1.679 4.831 -1.704 349 HA TYR 50 HA TYR 50 -0.218 5.011 0.832 350 HB2 TYR 50 1HB TYR 50 -2.191 2.797 0.533 351 HB3 TYR 50 2HB TYR 50 -1.605 3.590 1.992 352 HD1 TYR 50 2HD TYR 50 -3.810 4.095 -0.959 353 HD2 TYR 50 1HD TYR 50 -2.874 5.266 3.023 354 HE1 TYR 50 2HE TYR 50 -5.857 5.456 -0.884 355 HE2 TYR 50 1HE TYR 50 -4.919 6.629 3.110 356 HH TYR 50 HH TYR 50 -7.423 6.319 1.042 357 H ILE 51 H ILE 51 1.314 3.424 1.161 358 HA ILE 51 HA ILE 51 2.020 1.883 -1.220 359 HB ILE 51 HB ILE 51 3.588 2.504 1.283 360 HG12 ILE 51 1HG1 ILE 51 4.260 3.317 -1.533 361 HG13 ILE 51 2HG1 ILE 51 3.147 4.272 -0.560 362 HG21 ILE 51 1HG2 ILE 51 5.417 1.547 -0.467 363 HG22 ILE 51 2HG2 ILE 51 4.656 0.585 0.799 364 HG23 ILE 51 3HG2 ILE 51 4.028 0.529 -0.848 365 HD11 ILE 51 3HD1 ILE 51 5.109 4.155 1.186 366 HD12 ILE 51 1HD1 ILE 51 6.072 3.877 -0.264 367 HD13 ILE 51 2HD1 ILE 51 5.103 5.344 -0.116 368 H ILE 52 H ILE 52 1.146 -0.082 -1.319 369 HA ILE 52 HA ILE 52 0.596 -1.586 1.107 370 HB ILE 52 HB ILE 52 0.026 -2.224 -1.788 371 HG12 ILE 52 1HG1 ILE 52 -1.892 -1.516 0.437 372 HG13 ILE 52 2HG1 ILE 52 -1.255 -0.339 -0.706 373 HG21 ILE 52 1HG2 ILE 52 -1.023 -3.692 0.617 374 HG22 ILE 52 2HG2 ILE 52 -1.160 -4.143 -1.082 375 HG23 ILE 52 3HG2 ILE 52 0.406 -4.211 -0.275 376 HD11 ILE 52 3HD1 ILE 52 -3.453 -2.153 -0.989 377 HD12 ILE 52 1HD1 ILE 52 -2.954 -0.822 -2.033 378 HD13 ILE 52 2HD1 ILE 52 -2.262 -2.429 -2.260 379 H GLY 53 H GLY 53 2.451 -2.402 1.945 380 HA2 GLY 53 1HA GLY 53 4.273 -3.843 0.141 381 HA3 GLY 53 2HA GLY 53 4.670 -3.280 1.757 382 H TYR 54 H TYR 54 3.292 -5.822 -0.133 383 HA TYR 54 HA TYR 54 2.843 -7.400 2.313 384 HB2 TYR 54 1HB TYR 54 1.263 -8.732 1.085 385 HB3 TYR 54 2HB TYR 54 0.854 -7.039 0.835 386 HD1 TYR 54 1HD TYR 54 1.809 -5.940 -1.326 387 HD2 TYR 54 2HD TYR 54 1.468 -10.142 -0.749 388 HE1 TYR 54 1HE TYR 54 1.889 -6.275 -3.761 389 HE2 TYR 54 2HE TYR 54 1.548 -10.488 -3.182 390 HH TYR 54 HH TYR 54 1.376 -9.443 -5.198 391 H GLY 55 H GLY 55 3.470 -9.638 2.285 392 HA2 GLY 55 1HA GLY 55 4.867 -10.932 0.262 393 HA3 GLY 55 2HA GLY 55 6.059 -10.043 1.198 394 H VAL 56 H VAL 56 5.560 -12.965 0.840 395 HA VAL 56 HA VAL 56 4.513 -14.053 3.223 396 HB VAL 56 HB VAL 56 6.504 -15.216 1.272 397 HG11 VAL 56 1HG1 VAL 56 5.742 -16.143 3.853 398 HG12 VAL 56 2HG1 VAL 56 5.064 -17.231 2.640 399 HG13 VAL 56 3HG1 VAL 56 6.799 -16.912 2.671 400 HG21 VAL 56 3HG2 VAL 56 4.197 -16.595 0.945 401 HG22 VAL 56 1HG2 VAL 56 3.573 -14.997 1.358 402 HG23 VAL 56 2HG2 VAL 56 4.658 -15.192 -0.019 403 H GLY 57 H GLY 57 5.294 -13.839 5.209 404 HA2 GLY 57 1HA GLY 57 6.840 -14.036 6.934 405 HA3 GLY 57 2HA GLY 57 8.101 -14.292 5.737 406 H SER 58 H SER 58 7.379 -11.851 4.258 407 HA SER 58 HA SER 58 7.975 -9.724 6.162 408 HB2 SER 58 1HB SER 58 9.711 -9.846 3.733 409 HB3 SER 58 2HB SER 58 10.034 -9.120 5.307 410 HG SER 58 HG SER 58 10.236 -11.805 4.507 411 HA PRO 59 HA PRO 59 5.113 -7.719 3.433 412 HB2 PRO 59 1HB PRO 59 5.240 -5.267 4.590 413 HB3 PRO 59 2HB PRO 59 4.353 -6.620 5.302 414 HG2 PRO 59 1HG PRO 59 7.084 -5.587 5.964 415 HG3 PRO 59 2HG PRO 59 5.789 -6.108 7.058 416 HD2 PRO 59 1HD PRO 59 7.898 -7.690 6.440 417 HD3 PRO 59 2HD PRO 59 6.282 -8.342 6.782 418 H TYR 60 H TYR 60 8.279 -7.662 3.164 419 HA TYR 60 HA TYR 60 8.372 -5.286 1.427 420 HB2 TYR 60 1HB TYR 60 10.821 -6.729 2.391 421 HB3 TYR 60 2HB TYR 60 10.655 -5.056 1.869 422 HD1 TYR 60 1HD TYR 60 8.809 -3.741 3.408 423 HD2 TYR 60 2HD TYR 60 11.241 -7.010 4.632 424 HE1 TYR 60 1HE TYR 60 8.575 -3.029 5.751 425 HE2 TYR 60 2HE TYR 60 11.013 -6.308 6.979 426 HH TYR 60 HH TYR 60 9.497 -5.000 8.371 427 H ALA 61 H ALA 61 7.417 -8.103 0.884 428 HA ALA 61 HA ALA 61 9.347 -9.056 -1.073 429 HB1 ALA 61 3HB ALA 61 6.638 -10.259 -0.696 430 HB2 ALA 61 1HB ALA 61 8.159 -11.035 -1.138 431 HB3 ALA 61 2HB ALA 61 7.891 -10.501 0.522 432 H GLU 62 H GLU 62 6.249 -7.429 -0.945 433 HA GLU 62 HA GLU 62 6.495 -6.772 -3.766 434 HB2 GLU 62 1HB GLU 62 4.210 -8.346 -2.607 435 HB3 GLU 62 2HB GLU 62 3.991 -7.341 -4.032 436 HG2 GLU 62 1HG GLU 62 6.077 -9.494 -3.845 437 HG3 GLU 62 2HG GLU 62 4.449 -9.769 -4.463 438 H THR 63 H THR 63 6.073 -4.687 -4.037 439 HA THR 63 HA THR 63 4.427 -3.319 -2.010 440 HB THR 63 HB THR 63 5.774 -1.291 -3.239 441 HG1 THR 63 1HG THR 63 8.022 -2.152 -3.190 442 HG21 THR 63 3HG2 THR 63 6.063 -2.820 -0.739 443 HG22 THR 63 1HG2 THR 63 5.890 -1.084 -0.993 444 HG23 THR 63 2HG2 THR 63 7.465 -1.851 -1.195 445 H VAL 64 H VAL 64 2.893 -1.814 -2.665 446 HA VAL 64 HA VAL 64 2.465 -1.389 -5.517 447 HB VAL 64 HB VAL 64 0.417 -2.695 -3.726 448 HG11 VAL 64 1HG1 VAL 64 -0.525 -2.411 -6.388 449 HG12 VAL 64 2HG1 VAL 64 -1.204 -1.741 -4.903 450 HG13 VAL 64 3HG1 VAL 64 -0.007 -0.824 -5.819 451 HG21 VAL 64 3HG2 VAL 64 1.860 -3.540 -6.224 452 HG22 VAL 64 1HG2 VAL 64 1.823 -4.341 -4.653 453 HG23 VAL 64 2HG2 VAL 64 0.383 -4.330 -5.672 454 H ARG 65 H ARG 65 2.344 0.749 -5.662 455 HA ARG 65 HA ARG 65 1.190 2.298 -3.474 456 HB2 ARG 65 1HB ARG 65 3.000 2.886 -5.761 457 HB3 ARG 65 2HB ARG 65 1.986 4.196 -5.174 458 HG2 ARG 65 1HG ARG 65 2.964 4.122 -3.027 459 HG3 ARG 65 2HG ARG 65 3.757 2.581 -3.365 460 HD2 ARG 65 1HD ARG 65 5.475 4.135 -3.584 461 HD3 ARG 65 2HD ARG 65 4.960 3.854 -5.246 462 HE ARG 65 HE ARG 65 4.165 6.016 -5.346 463 HH11 ARG 65 1HH1 ARG 65 5.034 5.211 -2.072 464 HH12 ARG 65 2HH1 ARG 65 4.914 6.842 -1.501 465 HH21 ARG 65 1HH2 ARG 65 4.004 8.168 -4.606 466 HH22 ARG 65 2HH2 ARG 65 4.327 8.523 -2.943 467 H VAL 66 H VAL 66 -0.926 2.645 -3.531 468 HA VAL 66 HA VAL 66 -2.277 2.860 -6.128 469 HB VAL 66 HB VAL 66 -4.359 2.795 -4.528 470 HG11 VAL 66 1HG1 VAL 66 -3.856 1.101 -6.186 471 HG12 VAL 66 2HG1 VAL 66 -2.654 0.377 -5.116 472 HG13 VAL 66 3HG1 VAL 66 -4.362 0.339 -4.679 473 HG21 VAL 66 3HG2 VAL 66 -2.555 2.844 -2.574 474 HG22 VAL 66 1HG2 VAL 66 -4.092 1.994 -2.414 475 HG23 VAL 66 2HG2 VAL 66 -2.627 1.099 -2.818 476 H ASP 67 H ASP 67 -4.418 4.314 -5.741 477 HA ASP 67 HA ASP 67 -3.366 6.983 -5.319 478 HB2 ASP 67 1HB ASP 67 -6.200 6.296 -6.080 479 HB3 ASP 67 2HB ASP 67 -5.306 7.776 -6.416 480 H SER 68 H SER 68 -4.567 8.586 -4.058 481 HA SER 68 HA SER 68 -5.043 7.674 -1.419 482 HB2 SER 68 1HB SER 68 -4.174 9.880 -1.683 483 HB3 SER 68 2HB SER 68 -5.490 10.342 -2.763 484 HG SER 68 HG SER 68 -6.191 9.465 -0.218 485 H LYS 69 H LYS 69 -6.936 7.302 -4.033 486 HA LYS 69 HA LYS 69 -9.477 7.826 -2.683 487 HB2 LYS 69 1HB LYS 69 -10.376 7.004 -4.973 488 HB3 LYS 69 2HB LYS 69 -9.623 8.590 -4.874 489 HG2 LYS 69 1HG LYS 69 -7.612 7.787 -5.854 490 HG3 LYS 69 2HG LYS 69 -8.153 6.111 -5.731 491 HD2 LYS 69 1HD LYS 69 -10.106 6.844 -7.230 492 HD3 LYS 69 2HD LYS 69 -9.130 8.275 -7.568 493 HE2 LYS 69 1HE LYS 69 -7.272 6.731 -8.241 494 HE3 LYS 69 2HE LYS 69 -8.414 5.396 -8.097 495 HZ1 LYS 69 3HZ LYS 69 -9.761 7.099 -9.666 496 HZ2 LYS 69 1HZ LYS 69 -8.799 5.833 -10.245 497 HZ3 LYS 69 2HZ LYS 69 -8.173 7.402 -10.163 498 H GLN 70 H GLN 70 -7.376 5.230 -3.599 499 HA GLN 70 HA GLN 70 -9.283 3.127 -3.453 500 HB2 GLN 70 1HB GLN 70 -6.320 2.865 -2.962 501 HB3 GLN 70 2HB GLN 70 -7.427 1.638 -3.563 502 HG2 GLN 70 1HG GLN 70 -6.458 4.092 -5.002 503 HG3 GLN 70 2HG GLN 70 -6.113 2.407 -5.388 504 HE21 GLN 70 1HE2 GLN 70 -8.888 4.571 -4.934 505 HE22 GLN 70 2HE2 GLN 70 -9.810 3.944 -6.253 506 H ARG 71 H ARG 71 -10.325 2.505 -1.690 507 HA ARG 71 HA ARG 71 -9.126 2.991 0.936 508 HB2 ARG 71 1HB ARG 71 -11.251 3.808 1.115 509 HB3 ARG 71 2HB ARG 71 -11.894 2.700 -0.090 510 HG2 ARG 71 1HG ARG 71 -11.973 0.913 1.497 511 HG3 ARG 71 2HG ARG 71 -11.119 1.882 2.699 512 HD2 ARG 71 1HD ARG 71 -13.103 3.530 2.398 513 HD3 ARG 71 2HD ARG 71 -13.931 2.134 1.710 514 HE ARG 71 HE ARG 71 -12.757 1.491 4.212 515 HH11 ARG 71 1HH1 ARG 71 -15.452 3.157 2.768 516 HH12 ARG 71 2HH1 ARG 71 -16.488 2.943 4.141 517 HH21 ARG 71 1HH2 ARG 71 -14.111 1.203 6.025 518 HH22 ARG 71 2HH2 ARG 71 -15.724 1.832 5.993 519 H TYR 72 H TYR 72 -9.193 0.574 -1.272 520 HA TYR 72 HA TYR 72 -8.357 -1.398 0.619 521 HB2 TYR 72 1HB TYR 72 -10.114 -2.878 0.620 522 HB3 TYR 72 2HB TYR 72 -11.005 -1.365 0.511 523 HD1 TYR 72 1HD TYR 72 -11.872 -0.617 -1.722 524 HD2 TYR 72 2HD TYR 72 -10.227 -4.492 -1.108 525 HE1 TYR 72 1HE TYR 72 -12.951 -1.396 -3.790 526 HE2 TYR 72 2HE TYR 72 -11.300 -5.282 -3.175 527 HH TYR 72 HH TYR 72 -12.629 -3.196 -5.469 528 H TYR 73 H TYR 73 -7.514 -3.305 -0.392 529 HA TYR 73 HA TYR 73 -7.307 -3.228 -3.311 530 HB2 TYR 73 1HB TYR 73 -5.340 -2.026 -2.297 531 HB3 TYR 73 2HB TYR 73 -4.882 -3.545 -1.536 532 HD1 TYR 73 2HD TYR 73 -4.192 -5.473 -2.951 533 HD2 TYR 73 1HD TYR 73 -4.890 -1.613 -4.599 534 HE1 TYR 73 2HE TYR 73 -2.961 -6.122 -4.978 535 HE2 TYR 73 1HE TYR 73 -3.662 -2.252 -6.632 536 HH TYR 73 HH TYR 73 -1.843 -3.957 -7.224 537 H SER 74 H SER 74 -7.515 -5.181 -4.198 538 HA SER 74 HA SER 74 -7.555 -7.505 -2.421 539 HB2 SER 74 1HB SER 74 -8.397 -7.584 -5.301 540 HB3 SER 74 2HB SER 74 -8.986 -8.542 -3.943 541 HG SER 74 HG SER 74 -9.893 -6.180 -4.893 542 H ILE 75 H ILE 75 -5.531 -8.282 -2.201 543 HA ILE 75 HA ILE 75 -3.682 -8.374 -4.408 544 HB ILE 75 HB ILE 75 -3.404 -9.675 -1.698 545 HG12 ILE 75 1HG1 ILE 75 -2.708 -6.893 -2.643 546 HG13 ILE 75 2HG1 ILE 75 -3.760 -7.343 -1.306 547 HG21 ILE 75 1HG2 ILE 75 -1.236 -8.774 -3.577 548 HG22 ILE 75 2HG2 ILE 75 -1.085 -9.793 -2.147 549 HG23 ILE 75 3HG2 ILE 75 -1.896 -10.409 -3.586 550 HD11 ILE 75 3HD1 ILE 75 -0.786 -7.788 -1.417 551 HD12 ILE 75 1HD1 ILE 75 -1.606 -6.499 -0.537 552 HD13 ILE 75 2HD1 ILE 75 -1.850 -8.181 -0.067 553 H GLU 76 H GLU 76 -3.964 -9.826 -5.970 554 HA GLU 76 HA GLU 76 -4.857 -12.532 -5.234 555 HB2 GLU 76 1HB GLU 76 -4.942 -11.228 -7.959 556 HB3 GLU 76 2HB GLU 76 -5.636 -12.781 -7.516 557 HG2 GLU 76 1HG GLU 76 -6.967 -11.339 -5.780 558 HG3 GLU 76 2HG GLU 76 -6.588 -10.032 -6.901 559 H ARG 77 H ARG 77 -4.071 -14.121 -7.134 560 HA ARG 77 HA ARG 77 -2.335 -15.286 -8.031 561 HB2 ARG 77 1HB ARG 77 -0.840 -12.660 -8.025 562 HB3 ARG 77 2HB ARG 77 -0.472 -14.082 -8.991 563 HG2 ARG 77 1HG ARG 77 -3.019 -12.499 -9.226 564 HG3 ARG 77 2HG ARG 77 -1.596 -12.254 -10.240 565 HD2 ARG 77 1HD ARG 77 -2.868 -14.955 -9.980 566 HD3 ARG 77 2HD ARG 77 -3.497 -13.761 -11.115 567 HE ARG 77 HE ARG 77 -1.072 -15.282 -11.365 568 HH11 ARG 77 1HH1 ARG 77 -2.729 -12.365 -12.298 569 HH12 ARG 77 2HH1 ARG 77 -1.812 -12.154 -13.752 570 HH21 ARG 77 1HH2 ARG 77 0.142 -15.014 -13.277 571 HH22 ARG 77 2HH2 ARG 77 -0.179 -13.662 -14.309 572 H LEU 78 H LEU 78 -2.639 -15.261 -5.246 573 HA LEU 78 HA LEU 78 0.153 -15.360 -4.309 574 HB2 LEU 78 1HB LEU 78 -2.298 -15.183 -2.575 575 HB3 LEU 78 2HB LEU 78 -0.617 -14.960 -2.096 576 HG LEU 78 HG LEU 78 -2.077 -13.097 -3.961 577 HD11 LEU 78 1HD1 LEU 78 -1.834 -11.663 -1.726 578 HD12 LEU 78 2HD1 LEU 78 -2.033 -13.261 -1.008 579 HD13 LEU 78 3HD1 LEU 78 -3.267 -12.623 -2.094 580 HD21 LEU 78 3HD2 LEU 78 0.043 -11.904 -2.497 581 HD22 LEU 78 1HD2 LEU 78 -0.090 -12.155 -4.237 582 HD23 LEU 78 2HD2 LEU 78 0.646 -13.395 -3.222 583 H GLU 79 H GLU 79 0.554 -17.032 -2.605 584 HA GLU 79 HA GLU 79 -0.477 -19.573 -3.533 585 HB2 GLU 79 1HB GLU 79 1.222 -20.566 -2.096 586 HB3 GLU 79 2HB GLU 79 1.925 -19.303 -3.096 587 HG2 GLU 79 1HG GLU 79 1.411 -17.818 -0.983 588 HG3 GLU 79 2HG GLU 79 1.483 -19.377 -0.163 589 H SER 80 H SER 80 -0.564 -21.216 -1.458 590 HA SER 80 HA SER 80 -2.536 -20.045 0.392 591 HB2 SER 80 1HB SER 80 -2.681 -22.509 -1.277 592 HB3 SER 80 2HB SER 80 -3.392 -22.574 0.335 593 HG SER 80 HG SER 80 -4.956 -21.325 -0.315 594 H SER 81 H SER 81 -2.705 -21.084 2.470 595 HA SER 81 HA SER 81 -1.815 -21.873 4.409 596 HB2 SER 81 1HB SER 81 -0.872 -24.024 4.378 597 HB3 SER 81 2HB SER 81 -1.875 -23.994 2.928 598 HG SER 81 HG SER 81 0.935 -23.683 3.109 599 H SER 82 H SER 82 -0.661 -19.591 3.694 600 HA SER 82 HA SER 82 2.020 -19.872 4.740 601 HB2 SER 82 1HB SER 82 1.525 -18.725 1.984 602 HB3 SER 82 2HB SER 82 3.028 -18.519 2.883 603 HG SER 82 HG SER 82 3.016 -20.308 1.376 604 H HIS 83 H HIS 83 2.661 -18.109 5.880 605 HA HIS 83 HA HIS 83 0.698 -16.139 6.506 606 HB2 HIS 83 1HB HIS 83 2.219 -16.892 8.227 607 HB3 HIS 83 2HB HIS 83 3.612 -16.380 7.279 608 HD1 HIS 83 1HD HIS 83 4.480 -14.718 9.001 609 HD2 HIS 83 2HD HIS 83 0.562 -13.983 7.832 610 HE1 HIS 83 1HE HIS 83 3.915 -12.451 9.931 611 HE2 HIS 83 2HE HIS 83 1.512 -12.064 9.283 612 H TYR 84 H TYR 84 0.443 -14.116 5.763 613 HA TYR 84 HA TYR 84 2.502 -13.041 3.951 614 HB2 TYR 84 1HB TYR 84 -0.426 -13.368 3.540 615 HB3 TYR 84 2HB TYR 84 0.316 -11.900 2.916 616 HD1 TYR 84 1HD TYR 84 0.632 -15.609 2.836 617 HD2 TYR 84 2HD TYR 84 1.403 -11.926 0.851 618 HE1 TYR 84 1HE TYR 84 1.387 -16.845 0.848 619 HE2 TYR 84 2HE TYR 84 2.159 -13.152 -1.143 620 HH TYR 84 HH TYR 84 1.739 -15.472 -2.146 621 H VAL 85 H VAL 85 3.415 -11.483 5.153 622 HA VAL 85 HA VAL 85 1.938 -9.873 7.007 623 HB VAL 85 HB VAL 85 4.698 -9.252 5.975 624 HG11 VAL 85 1HG1 VAL 85 3.102 -8.560 8.408 625 HG12 VAL 85 2HG1 VAL 85 4.866 -8.558 8.472 626 HG13 VAL 85 3HG1 VAL 85 4.022 -7.506 7.335 627 HG21 VAL 85 3HG2 VAL 85 5.199 -10.629 8.232 628 HG22 VAL 85 1HG2 VAL 85 3.785 -11.505 7.647 629 HG23 VAL 85 2HG2 VAL 85 5.214 -11.355 6.625 630 H ILE 86 H ILE 86 0.764 -8.144 6.539 631 HA ILE 86 HA ILE 86 1.291 -6.723 4.014 632 HB ILE 86 HB ILE 86 -1.270 -6.710 5.613 633 HG12 ILE 86 1HG1 ILE 86 -0.975 -8.100 2.980 634 HG13 ILE 86 2HG1 ILE 86 -0.435 -8.919 4.441 635 HG21 ILE 86 1HG2 ILE 86 -0.326 -5.341 3.181 636 HG22 ILE 86 2HG2 ILE 86 -1.954 -6.012 3.104 637 HG23 ILE 86 3HG2 ILE 86 -1.537 -4.851 4.364 638 HD11 ILE 86 3HD1 ILE 86 -3.205 -7.981 3.766 639 HD12 ILE 86 1HD1 ILE 86 -2.644 -9.633 4.027 640 HD13 ILE 86 2HD1 ILE 86 -2.728 -8.506 5.381 641 H SER 87 H SER 87 2.003 -4.699 4.102 642 HA SER 87 HA SER 87 1.601 -3.171 6.588 643 HB2 SER 87 1HB SER 87 3.826 -2.298 6.469 644 HB3 SER 87 2HB SER 87 3.957 -4.048 6.293 645 HG SER 87 HG SER 87 4.585 -2.059 4.524 646 H LEU 88 H LEU 88 0.263 -1.555 6.139 647 HA LEU 88 HA LEU 88 0.487 -0.216 3.527 648 HB2 LEU 88 1HB LEU 88 -1.683 -0.999 3.644 649 HB3 LEU 88 2HB LEU 88 -1.800 -0.713 5.379 650 HG LEU 88 HG LEU 88 -1.713 1.799 4.701 651 HD11 LEU 88 1HD1 LEU 88 -1.190 1.623 2.399 652 HD12 LEU 88 2HD1 LEU 88 -2.875 2.131 2.494 653 HD13 LEU 88 3HD1 LEU 88 -2.481 0.453 2.123 654 HD21 LEU 88 3HD2 LEU 88 -3.630 0.481 5.682 655 HD22 LEU 88 1HD2 LEU 88 -4.203 0.251 4.030 656 HD23 LEU 88 2HD2 LEU 88 -4.077 1.877 4.701 657 H LYS 89 H LYS 89 0.747 1.973 3.408 658 HA LYS 89 HA LYS 89 0.631 3.595 5.812 659 HB2 LYS 89 1HB LYS 89 2.865 4.237 5.897 660 HB3 LYS 89 2HB LYS 89 2.976 2.516 5.552 661 HG2 LYS 89 1HG LYS 89 3.358 2.982 3.204 662 HG3 LYS 89 2HG LYS 89 3.171 4.713 3.500 663 HD2 LYS 89 1HD LYS 89 5.472 4.460 3.500 664 HD3 LYS 89 2HD LYS 89 5.088 4.360 5.220 665 HE2 LYS 89 1HE LYS 89 6.447 2.538 5.027 666 HE3 LYS 89 2HE LYS 89 4.895 1.785 4.663 667 HZ1 LYS 89 3HZ LYS 89 5.440 2.255 2.259 668 HZ2 LYS 89 1HZ LYS 89 6.367 1.056 3.010 669 HZ3 LYS 89 2HZ LYS 89 7.017 2.598 2.766 670 H ALA 90 H ALA 90 0.411 5.794 5.404 671 HA ALA 90 HA ALA 90 -0.512 6.445 2.745 672 HB1 ALA 90 3HB ALA 90 -1.275 8.513 3.696 673 HB2 ALA 90 1HB ALA 90 -1.697 7.198 4.793 674 HB3 ALA 90 2HB ALA 90 -0.324 8.244 5.156 675 H PHE 91 H PHE 91 0.363 7.945 1.346 676 HA PHE 91 HA PHE 91 2.950 9.127 2.063 677 HB2 PHE 91 1HB PHE 91 3.968 8.431 -0.008 678 HB3 PHE 91 2HB PHE 91 3.330 7.003 0.801 679 HD1 PHE 91 1HD PHE 91 2.698 9.419 -1.922 680 HD2 PHE 91 2HD PHE 91 1.718 5.638 -0.231 681 HE1 PHE 91 1HE PHE 91 1.432 8.843 -3.952 682 HE2 PHE 91 2HE PHE 91 0.452 5.056 -2.258 683 HZ PHE 91 HZ PHE 91 0.308 6.658 -4.122 684 H ASN 92 H ASN 92 3.616 10.861 0.571 685 HA ASN 92 HA ASN 92 1.739 11.972 -1.267 686 HB2 ASN 92 1HB ASN 92 1.073 13.934 -0.072 687 HB3 ASN 92 2HB ASN 92 0.722 12.557 0.968 688 HD21 ASN 92 1HD2 ASN 92 0.788 14.834 2.226 689 HD22 ASN 92 2HD2 ASN 92 2.251 15.056 3.119 690 H ASN 93 H ASN 93 2.470 14.492 -1.545 691 HA ASN 93 HA ASN 93 4.947 14.432 -2.771 692 HB2 ASN 93 1HB ASN 93 3.146 16.621 -1.832 693 HB3 ASN 93 2HB ASN 93 4.778 17.047 -2.339 694 HD21 ASN 93 1HD2 ASN 93 2.359 14.728 -3.508 695 HD22 ASN 93 2HD2 ASN 93 2.367 15.286 -5.143 696 H ALA 94 H ALA 94 4.252 14.569 0.547 697 HA ALA 94 HA ALA 94 6.754 15.842 1.293 698 HB1 ALA 94 3HB ALA 94 5.644 16.350 3.143 699 HB2 ALA 94 1HB ALA 94 4.247 15.457 2.540 700 HB3 ALA 94 2HB ALA 94 5.460 14.638 3.526 701 H GLY 95 H GLY 95 5.399 12.643 0.990 702 HA2 GLY 95 1HA GLY 95 7.359 11.025 0.590 703 HA3 GLY 95 2HA GLY 95 7.811 11.487 2.224 704 H GLU 96 H GLU 96 7.395 9.842 3.539 705 HA GLU 96 HA GLU 96 4.782 8.503 3.290 706 HB2 GLU 96 1HB GLU 96 7.251 7.159 4.366 707 HB3 GLU 96 2HB GLU 96 5.742 6.417 3.856 708 HG2 GLU 96 1HG GLU 96 6.225 6.723 1.586 709 HG3 GLU 96 2HG GLU 96 7.506 7.884 1.929 710 H GLY 97 H GLY 97 3.698 7.977 5.190 711 HA2 GLY 97 1HA GLY 97 4.654 9.446 7.554 712 HA3 GLY 97 2HA GLY 97 2.980 9.025 7.226 713 H VAL 98 H VAL 98 2.848 8.150 9.354 714 HA VAL 98 HA VAL 98 4.501 6.138 10.373 715 HB VAL 98 HB VAL 98 1.619 6.020 11.065 716 HG11 VAL 98 1HG1 VAL 98 3.158 6.457 13.326 717 HG12 VAL 98 2HG1 VAL 98 2.598 4.896 12.722 718 HG13 VAL 98 3HG1 VAL 98 4.198 5.493 12.278 719 HG21 VAL 98 3HG2 VAL 98 1.496 8.288 11.007 720 HG22 VAL 98 1HG2 VAL 98 2.264 8.116 12.585 721 HG23 VAL 98 2HG2 VAL 98 3.240 8.498 11.167 722 HA PRO 99 HA PRO 99 3.286 2.920 7.487 723 HB2 PRO 99 1HB PRO 99 5.143 1.132 8.339 724 HB3 PRO 99 2HB PRO 99 5.527 2.469 7.249 725 HG2 PRO 99 1HG PRO 99 5.932 2.260 10.208 726 HG3 PRO 99 2HG PRO 99 7.027 2.906 8.971 727 HD2 PRO 99 1HD PRO 99 5.508 4.499 10.547 728 HD3 PRO 99 2HD PRO 99 5.931 4.931 8.878 729 H LEU 100 H LEU 100 1.638 1.570 7.795 730 HA LEU 100 HA LEU 100 1.191 0.472 10.482 731 HB2 LEU 100 1HB LEU 100 -0.528 1.875 9.048 732 HB3 LEU 100 2HB LEU 100 -0.855 0.300 8.329 733 HG LEU 100 HG LEU 100 -1.135 -0.420 10.848 734 HD11 LEU 100 1HD1 LEU 100 -1.381 2.558 10.889 735 HD12 LEU 100 2HD1 LEU 100 -0.608 1.480 12.051 736 HD13 LEU 100 3HD1 LEU 100 -2.367 1.569 11.966 737 HD21 LEU 100 3HD2 LEU 100 -2.850 0.270 8.747 738 HD22 LEU 100 1HD2 LEU 100 -3.519 1.043 10.184 739 HD23 LEU 100 2HD2 LEU 100 -3.232 -0.697 10.172 740 H TYR 101 H TYR 101 1.583 -1.604 10.835 741 HA TYR 101 HA TYR 101 1.953 -3.384 8.538 742 HB2 TYR 101 1HB TYR 101 2.895 -3.446 11.389 743 HB3 TYR 101 2HB TYR 101 2.888 -4.916 10.421 744 HD1 TYR 101 1HD TYR 101 4.141 -1.406 10.388 745 HD2 TYR 101 2HD TYR 101 4.705 -5.406 9.052 746 HE1 TYR 101 1HE TYR 101 6.311 -0.770 9.421 747 HE2 TYR 101 2HE TYR 101 6.877 -4.782 8.083 748 HH TYR 101 HH TYR 101 7.797 -1.883 7.346 749 H GLU 102 H GLU 102 1.246 -5.682 8.850 750 HA GLU 102 HA GLU 102 -0.923 -6.212 10.647 751 HB2 GLU 102 1HB GLU 102 -1.788 -4.811 8.569 752 HB3 GLU 102 2HB GLU 102 -1.750 -6.385 7.785 753 HG2 GLU 102 1HG GLU 102 -3.939 -5.640 8.849 754 HG3 GLU 102 2HG GLU 102 -3.368 -7.269 9.205 755 H SER 103 H SER 103 -2.022 -8.378 9.937 756 HA SER 103 HA SER 103 -0.032 -10.147 8.695 757 HB2 SER 103 1HB SER 103 -0.424 -11.832 10.457 758 HB3 SER 103 2HB SER 103 0.252 -10.344 11.120 759 HG SER 103 HG SER 103 -2.529 -10.613 11.032 760 H ALA 104 H ALA 104 -0.854 -11.924 7.609 761 HA ALA 104 HA ALA 104 -3.632 -12.622 7.711 762 HB1 ALA 104 3HB ALA 104 -3.419 -10.477 6.265 763 HB2 ALA 104 1HB ALA 104 -2.776 -11.576 5.044 764 HB3 ALA 104 2HB ALA 104 -4.402 -11.821 5.684 765 H THR 105 H THR 105 -3.285 -14.756 7.804 766 HA THR 105 HA THR 105 -1.305 -15.992 6.052 767 HB THR 105 HB THR 105 -2.983 -17.255 8.228 768 HG1 THR 105 1HG THR 105 -1.303 -16.871 9.555 769 HG21 THR 105 3HG2 THR 105 -1.986 -19.230 7.788 770 HG22 THR 105 1HG2 THR 105 -0.440 -18.479 7.399 771 HG23 THR 105 2HG2 THR 105 -1.722 -18.536 6.189 772 H THR 106 H THR 106 -1.979 -16.498 4.073 773 HA THR 106 HA THR 106 -4.511 -16.650 3.081 774 HB THR 106 HB THR 106 -3.507 -18.407 1.431 775 HG1 THR 106 1HG THR 106 -1.376 -18.762 1.609 776 HG21 THR 106 3HG2 THR 106 -3.806 -15.922 1.084 777 HG22 THR 106 1HG2 THR 106 -2.499 -16.666 0.164 778 HG23 THR 106 2HG2 THR 106 -2.135 -15.730 1.614 779 H ARG 107 H ARG 107 -5.574 -18.705 2.161 780 HA ARG 107 HA ARG 107 -6.024 -20.504 4.413 781 HB2 ARG 107 1HB ARG 107 -7.564 -20.590 1.840 782 HB3 ARG 107 2HB ARG 107 -8.093 -21.019 3.462 783 HG2 ARG 107 1HG ARG 107 -7.379 -18.192 2.817 784 HG3 ARG 107 2HG ARG 107 -8.957 -18.842 2.368 785 HD2 ARG 107 1HD ARG 107 -7.832 -18.986 5.157 786 HD3 ARG 107 2HD ARG 107 -8.858 -17.668 4.592 787 HE ARG 107 HE ARG 107 -10.678 -19.130 4.536 788 HH11 ARG 107 1HH1 ARG 107 -7.746 -20.755 5.479 789 HH12 ARG 107 2HH1 ARG 107 -8.564 -22.158 6.084 790 HH21 ARG 107 1HH2 ARG 107 -11.765 -20.972 5.330 791 HH22 ARG 107 2HH2 ARG 107 -10.850 -22.280 5.998 792 H SER 108 H SER 108 -6.614 -22.844 3.677 793 HA SER 108 HA SER 108 -4.457 -23.778 1.898 794 HB2 SER 108 1HB SER 108 -5.669 -25.459 4.082 795 HB3 SER 108 2HB SER 108 -4.111 -25.652 3.277 796 HG SER 108 HG SER 108 -3.466 -23.683 4.313 797 H ILE 109 H ILE 109 -5.259 -24.428 0.019 798 HA ILE 109 HA ILE 109 -7.754 -24.830 -0.832 799 HB ILE 109 HB ILE 109 -5.360 -26.519 -1.543 800 HG12 ILE 109 1HG1 ILE 109 -5.828 -25.014 -3.704 801 HG13 ILE 109 2HG1 ILE 109 -6.533 -23.952 -2.489 802 HG21 ILE 109 1HG2 ILE 109 -7.062 -27.899 -2.262 803 HG22 ILE 109 2HG2 ILE 109 -8.150 -26.554 -2.603 804 HG23 ILE 109 3HG2 ILE 109 -6.797 -26.889 -3.683 805 HD11 ILE 109 3HD1 ILE 109 -3.802 -24.321 -3.176 806 HD12 ILE 109 1HD1 ILE 109 -4.515 -23.194 -2.023 807 HD13 ILE 109 2HD1 ILE 109 -4.038 -24.808 -1.498 808 H THR 110 H THR 110 -5.875 -27.231 0.959 809 HA THR 110 HA THR 110 -7.309 -29.494 0.832 810 HB THR 110 HB THR 110 -5.393 -29.267 2.328 811 HG1 THR 110 1HG THR 110 -7.119 -30.901 2.685 812 HG21 THR 110 3HG2 THR 110 -5.281 -27.566 3.761 813 HG22 THR 110 1HG2 THR 110 -6.567 -28.313 4.708 814 HG23 THR 110 2HG2 THR 110 -6.964 -27.147 3.446 815 H SER 111 H SER 111 -9.222 -30.332 1.534 816 HA SER 111 HA SER 111 -11.390 -28.575 1.943 817 HB2 SER 111 1HB SER 111 -12.712 -30.622 2.340 818 HB3 SER 111 2HB SER 111 -11.680 -30.781 0.919 819 HG SER 111 HG SER 111 -11.504 -32.040 3.406 820 H GLY 112 H GLY 112 -9.845 -30.886 4.182 821 HA2 GLY 112 1HA GLY 112 -9.707 -30.904 6.473 822 HA3 GLY 112 2HA GLY 112 -9.884 -29.157 6.392 823 HA PRO 113 HA PRO 113 -13.583 -30.990 8.558 824 HB2 PRO 113 1HB PRO 113 -13.429 -29.374 10.734 825 HB3 PRO 113 2HB PRO 113 -12.563 -30.910 10.615 826 HG2 PRO 113 1HG PRO 113 -11.557 -28.129 10.155 827 HG3 PRO 113 2HG PRO 113 -10.781 -29.471 11.017 828 HD2 PRO 113 1HD PRO 113 -10.123 -28.794 8.479 829 HD3 PRO 113 2HD PRO 113 -10.056 -30.467 9.069 830 H SER 114 H SER 114 -12.675 -28.165 7.071 831 HA SER 114 HA SER 114 -14.350 -26.157 7.768 832 HB2 SER 114 1HB SER 114 -13.475 -27.121 5.059 833 HB3 SER 114 2HB SER 114 -14.551 -25.731 5.208 834 HG SER 114 HG SER 114 -12.264 -25.774 6.802 835 H SER 115 H SER 115 -15.227 -28.972 5.798 836 HA SER 115 HA SER 115 -17.694 -28.494 4.911 837 HB2 SER 115 1HB SER 115 -16.351 -30.752 5.139 838 HB3 SER 115 2HB SER 115 -17.404 -30.994 6.533 839 HG SER 115 HG SER 115 -19.079 -30.295 4.793 840 H GLY 116 H GLY 116 -19.786 -28.314 5.641 841 HA2 GLY 116 1HA GLY 116 -21.284 -28.789 7.621 842 HA3 GLY 116 2HA GLY 116 -20.065 -27.936 8.557
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