NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551472 | 2lzg | 18755 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -4.786 -6.069 -14.127 2 H2 MET 1 HT2 MET 1 -3.635 -6.735 -13.042 3 H3 MET 1 HT3 MET 1 -4.436 -7.746 -14.175 4 HA MET 1 HA MET 1 -3.431 -6.459 -15.971 5 HB2 MET 1 HB2 MET 1 -3.009 -4.518 -14.238 6 HB3 MET 1 HB1 MET 1 -1.510 -5.368 -13.914 7 HG2 MET 1 HG2 MET 1 -0.892 -3.785 -15.480 8 HG3 MET 1 HG1 MET 1 -1.110 -5.234 -16.455 9 HE1 MET 1 HE1 MET 1 -1.005 -2.112 -17.414 10 HE2 MET 1 HE2 MET 1 -2.253 -2.085 -18.660 11 HE3 MET 1 HE3 MET 1 -1.111 -3.427 -18.583 12 H CYS 2 HN CYS 2 -1.586 -7.522 -13.058 13 HA CYS 2 HA CYS 2 -0.337 -9.655 -14.687 14 HB2 CYS 2 HB2 CYS 2 1.004 -7.835 -12.665 15 HB3 CYS 2 HB1 CYS 2 1.736 -9.319 -13.261 16 HG CYS 2 HG CYS 2 1.932 -6.709 -14.614 17 H ASN 3 HN ASN 3 0.613 -11.441 -13.287 18 HA ASN 3 HA ASN 3 -0.524 -11.772 -10.636 19 HB2 ASN 3 HB2 ASN 3 -2.284 -12.503 -12.425 20 HB3 ASN 3 HB1 ASN 3 -1.249 -13.908 -12.651 21 HD21 ASN 3 HD21 ASN 3 -1.052 -15.428 -10.943 22 HD22 ASN 3 HD22 ASN 3 -2.180 -15.459 -9.635 23 H THR 4 HN THR 4 0.654 -13.176 -9.365 24 HA THR 4 HA THR 4 2.744 -14.821 -10.661 25 HB THR 4 HB THR 4 4.239 -14.224 -8.693 26 HG1 THR 4 HG1 THR 4 3.307 -13.107 -7.185 27 HG21 THR 4 HG21 THR 4 3.480 -11.890 -10.439 28 HG22 THR 4 HG22 THR 4 4.602 -13.178 -10.880 29 HG23 THR 4 HG23 THR 4 4.986 -12.093 -9.544 30 H ASN 5 HN ASN 5 1.282 -14.234 -7.413 31 HA ASN 5 HA ASN 5 0.591 -15.601 -5.755 32 HB2 ASN 5 HB2 ASN 5 -0.989 -16.237 -7.685 33 HB3 ASN 5 HB1 ASN 5 -0.026 -17.697 -7.852 34 HD21 ASN 5 HD21 ASN 5 -2.024 -18.847 -7.383 35 HD22 ASN 5 HD22 ASN 5 -2.537 -19.032 -5.745 36 H MET 6 HN MET 6 3.338 -15.647 -6.025 37 HA MET 6 HA MET 6 3.999 -18.318 -4.999 38 HB2 MET 6 HB2 MET 6 5.413 -16.954 -7.305 39 HB3 MET 6 HB1 MET 6 6.171 -18.228 -6.360 40 HG2 MET 6 HG2 MET 6 4.339 -19.756 -7.000 41 HG3 MET 6 HG1 MET 6 3.654 -18.479 -8.003 42 HE1 MET 6 HE1 MET 6 5.244 -21.252 -10.430 43 HE2 MET 6 HE2 MET 6 3.734 -20.471 -9.963 44 HE3 MET 6 HE3 MET 6 4.565 -21.533 -8.827 45 H SER 7 HN SER 7 3.584 -16.161 -3.388 46 HA SER 7 HA SER 7 6.168 -15.804 -2.135 47 HB2 SER 7 HB2 SER 7 6.047 -13.932 -3.835 48 HB3 SER 7 HB1 SER 7 4.663 -13.295 -2.948 49 HG SER 7 HG SER 7 5.969 -12.583 -1.436 50 H VAL 8 HN VAL 8 5.850 -16.050 0.013 51 HA VAL 8 HA VAL 8 3.335 -15.078 1.230 52 HB VAL 8 HB VAL 8 4.661 -17.702 1.999 53 HG11 VAL 8 HG11 VAL 8 2.022 -16.474 2.827 54 HG12 VAL 8 HG12 VAL 8 3.446 -16.701 3.843 55 HG13 VAL 8 HG13 VAL 8 2.557 -18.101 3.249 56 HG21 VAL 8 HG21 VAL 8 2.206 -17.257 0.288 57 HG22 VAL 8 HG22 VAL 8 2.709 -18.816 0.945 58 HG23 VAL 8 HG23 VAL 8 3.735 -17.980 -0.218 59 HA PRO 9 HA PRO 9 6.875 -13.360 3.659 60 HB2 PRO 9 HB2 PRO 9 5.784 -10.962 4.256 61 HB3 PRO 9 HB1 PRO 9 6.515 -11.303 2.686 62 HG2 PRO 9 HG2 PRO 9 3.628 -11.258 3.459 63 HG3 PRO 9 HG1 PRO 9 4.407 -10.635 1.994 64 HD2 PRO 9 HD2 PRO 9 3.088 -13.039 2.130 65 HD3 PRO 9 HD1 PRO 9 4.375 -12.677 0.964 66 H THR 10 HN THR 10 7.183 -13.848 5.760 67 HA THR 10 HA THR 10 4.865 -13.873 7.603 68 HB THR 10 HB THR 10 7.286 -15.671 7.864 69 HG1 THR 10 HG1 THR 10 4.862 -16.219 6.480 70 HG21 THR 10 HG21 THR 10 5.824 -17.100 9.164 71 HG22 THR 10 HG22 THR 10 4.485 -15.976 8.930 72 HG23 THR 10 HG23 THR 10 5.897 -15.484 9.867 73 H ASP 11 HN ASP 11 8.465 -13.652 7.598 74 HA ASP 11 HA ASP 11 8.386 -12.124 10.101 75 HB2 ASP 11 HB2 ASP 11 10.003 -14.082 9.642 76 HB3 ASP 11 HB1 ASP 11 10.891 -12.956 8.624 77 H GLY 12 HN GLY 12 9.272 -11.686 6.671 78 HA2 GLY 12 HA2 GLY 12 10.511 -9.146 6.953 79 HA3 GLY 12 HA1 GLY 12 9.883 -9.834 5.466 80 H ALA 13 HN ALA 13 9.445 -7.453 7.852 81 HA ALA 13 HA ALA 13 6.862 -6.647 6.663 82 HB1 ALA 13 HB1 ALA 13 6.578 -7.729 8.928 83 HB2 ALA 13 HB2 ALA 13 5.930 -6.097 8.775 84 HB3 ALA 13 HB3 ALA 13 7.464 -6.362 9.605 85 H VAL 14 HN VAL 14 6.394 -4.364 6.773 86 HA VAL 14 HA VAL 14 8.815 -2.666 6.938 87 HB VAL 14 HB VAL 14 6.385 -2.569 5.141 88 HG11 VAL 14 HG11 VAL 14 6.484 -0.296 5.810 89 HG12 VAL 14 HG12 VAL 14 7.278 -0.384 4.240 90 HG13 VAL 14 HG13 VAL 14 8.245 -0.268 5.710 91 HG21 VAL 14 HG21 VAL 14 8.549 -3.822 4.573 92 HG22 VAL 14 HG22 VAL 14 9.273 -2.231 4.362 93 HG23 VAL 14 HG23 VAL 14 7.904 -2.717 3.361 94 H THR 15 HN THR 15 8.880 -1.184 8.547 95 HA THR 15 HA THR 15 6.538 0.242 9.453 96 HB THR 15 HB THR 15 6.234 -1.803 10.731 97 HG1 THR 15 HG1 THR 15 5.831 -0.782 12.544 98 HG21 THR 15 HG21 THR 15 7.792 -2.612 12.387 99 HG22 THR 15 HG22 THR 15 8.958 -1.364 11.948 100 HG23 THR 15 HG23 THR 15 8.548 -2.634 10.794 101 H THR 16 HN THR 16 7.016 2.119 10.682 102 HA THR 16 HA THR 16 9.825 2.693 11.344 103 HB THR 16 HB THR 16 8.187 4.669 9.725 104 HG1 THR 16 HG1 THR 16 10.053 2.745 8.775 105 HG21 THR 16 HG21 THR 16 10.486 5.519 9.102 106 HG22 THR 16 HG22 THR 16 11.113 4.530 10.420 107 HG23 THR 16 HG23 THR 16 9.964 5.824 10.756 108 H SER 17 HN SER 17 10.071 4.690 12.681 109 HA SER 17 HA SER 17 8.397 4.692 14.919 110 HB2 SER 17 HB2 SER 17 10.792 5.425 14.860 111 HB3 SER 17 HB1 SER 17 10.265 6.937 14.124 112 HG SER 17 HG SER 17 10.410 7.243 16.330 113 H GLN 18 HN GLN 18 8.121 6.729 12.020 114 HA GLN 18 HA GLN 18 6.559 8.810 13.107 115 HB2 GLN 18 HB2 GLN 18 6.882 7.727 10.312 116 HB3 GLN 18 HB1 GLN 18 5.665 8.948 10.635 117 HG2 GLN 18 HG2 GLN 18 7.440 10.228 9.948 118 HG3 GLN 18 HG1 GLN 18 7.618 10.284 11.698 119 HE21 GLN 18 HE21 GLN 18 8.984 9.137 8.701 120 HE22 GLN 18 HE22 GLN 18 10.473 8.574 9.368 121 H ILE 19 HN ILE 19 5.276 6.118 11.075 122 HA ILE 19 HA ILE 19 2.849 6.060 12.768 123 HB ILE 19 HB ILE 19 2.837 5.811 9.734 124 HG12 ILE 19 HG12 ILE 19 1.643 8.055 11.400 125 HG13 ILE 19 HG11 ILE 19 3.226 8.161 10.643 126 HG21 ILE 19 HG21 ILE 19 1.105 4.431 10.724 127 HG22 ILE 19 HG22 ILE 19 0.359 5.842 9.983 128 HG23 ILE 19 HG23 ILE 19 0.560 5.771 11.733 129 HD11 ILE 19 HD11 ILE 19 1.553 9.308 9.331 130 HD12 ILE 19 HD12 ILE 19 0.607 7.827 9.202 131 HD13 ILE 19 HD13 ILE 19 2.197 7.927 8.446 132 HA PRO 20 HA PRO 20 4.761 1.846 12.433 133 HB2 PRO 20 HB2 PRO 20 4.710 1.192 15.051 134 HB3 PRO 20 HB1 PRO 20 5.948 2.243 14.366 135 HG2 PRO 20 HG2 PRO 20 3.498 2.965 15.915 136 HG3 PRO 20 HG1 PRO 20 5.136 3.624 16.039 137 HD2 PRO 20 HD2 PRO 20 3.081 4.832 14.672 138 HD3 PRO 20 HD1 PRO 20 4.799 5.092 14.326 139 H ALA 21 HN ALA 21 3.969 -0.315 13.616 140 HA ALA 21 HA ALA 21 1.366 -0.878 12.653 141 HB1 ALA 21 HB1 ALA 21 3.237 -2.515 12.788 142 HB2 ALA 21 HB2 ALA 21 1.714 -3.110 13.447 143 HB3 ALA 21 HB3 ALA 21 2.999 -2.581 14.535 144 H SER 22 HN SER 22 2.468 0.149 15.841 145 HA SER 22 HA SER 22 0.453 -0.836 17.496 146 HB2 SER 22 HB2 SER 22 2.531 0.394 18.232 147 HB3 SER 22 HB1 SER 22 1.723 1.899 17.796 148 HG SER 22 HG SER 22 0.384 1.684 19.467 149 H GLU 23 HN GLU 23 0.414 2.119 15.485 150 HA GLU 23 HA GLU 23 -2.283 2.820 16.355 151 HB2 GLU 23 HB2 GLU 23 -0.338 4.121 14.434 152 HB3 GLU 23 HB1 GLU 23 -1.984 4.697 14.629 153 HG2 GLU 23 HG2 GLU 23 -0.116 4.459 16.975 154 HG3 GLU 23 HG1 GLU 23 -0.108 5.871 15.923 155 H GLN 24 HN GLN 24 -0.654 1.641 13.391 156 HA GLN 24 HA GLN 24 -3.250 1.345 12.050 157 HB2 GLN 24 HB2 GLN 24 -0.426 1.081 10.986 158 HB3 GLN 24 HB1 GLN 24 -1.874 0.846 10.020 159 HG2 GLN 24 HG2 GLN 24 -1.316 3.428 11.466 160 HG3 GLN 24 HG1 GLN 24 -0.690 3.093 9.857 161 HE21 GLN 24 HE21 GLN 24 -3.610 3.647 11.746 162 HE22 GLN 24 HE22 GLN 24 -4.632 3.992 10.398 163 H GLU 25 HN GLU 25 -3.668 -0.401 13.749 164 HA GLU 25 HA GLU 25 -2.804 -3.025 12.692 165 HB2 GLU 25 HB2 GLU 25 -2.446 -1.991 15.353 166 HB3 GLU 25 HB1 GLU 25 -3.601 -3.303 15.448 167 HG2 GLU 25 HG2 GLU 25 -0.972 -3.617 14.025 168 HG3 GLU 25 HG1 GLU 25 -1.125 -3.841 15.765 169 H THR 26 HN THR 26 -4.700 -2.618 11.297 170 HA THR 26 HA THR 26 -7.178 -3.611 12.553 171 HB THR 26 HB THR 26 -7.225 -1.424 10.458 172 HG1 THR 26 HG1 THR 26 -7.304 -1.070 13.281 173 HG21 THR 26 HG21 THR 26 -9.455 -0.945 11.337 174 HG22 THR 26 HG22 THR 26 -9.303 -2.297 12.457 175 HG23 THR 26 HG23 THR 26 -9.333 -2.591 10.719 176 H LEU 27 HN LEU 27 -8.482 -4.921 11.223 177 HA LEU 27 HA LEU 27 -7.120 -6.200 9.007 178 HB2 LEU 27 HB2 LEU 27 -9.634 -6.722 10.559 179 HB3 LEU 27 HB1 LEU 27 -9.496 -7.438 8.972 180 HG LEU 27 HG LEU 27 -8.876 -8.989 10.786 181 HD11 LEU 27 HD11 LEU 27 -6.792 -9.818 9.824 182 HD12 LEU 27 HD12 LEU 27 -6.569 -8.291 8.972 183 HD13 LEU 27 HD13 LEU 27 -7.935 -9.332 8.573 184 HD21 LEU 27 HD21 LEU 27 -6.499 -7.194 11.291 185 HD22 LEU 27 HD22 LEU 27 -6.878 -8.715 12.099 186 HD23 LEU 27 HD23 LEU 27 -7.914 -7.310 12.339 187 H VAL 28 HN VAL 28 -7.698 -6.170 6.831 188 HA VAL 28 HA VAL 28 -9.785 -4.234 6.015 189 HB VAL 28 HB VAL 28 -8.409 -3.657 4.027 190 HG11 VAL 28 HG11 VAL 28 -6.963 -3.106 6.622 191 HG12 VAL 28 HG12 VAL 28 -8.396 -2.249 6.056 192 HG13 VAL 28 HG13 VAL 28 -6.893 -2.148 5.142 193 HG21 VAL 28 HG21 VAL 28 -6.996 -5.692 3.941 194 HG22 VAL 28 HG22 VAL 28 -6.154 -5.148 5.390 195 HG23 VAL 28 HG23 VAL 28 -6.045 -4.209 3.902 196 H ARG 29 HN ARG 29 -10.997 -4.710 4.145 197 HA ARG 29 HA ARG 29 -10.886 -7.535 3.268 198 HB2 ARG 29 HB2 ARG 29 -13.230 -5.627 3.477 199 HB3 ARG 29 HB1 ARG 29 -13.330 -7.208 2.711 200 HG2 ARG 29 HG2 ARG 29 -12.773 -8.296 4.815 201 HG3 ARG 29 HG1 ARG 29 -12.567 -6.730 5.595 202 HD2 ARG 29 HD2 ARG 29 -14.698 -7.306 6.265 203 HD3 ARG 29 HD1 ARG 29 -15.032 -6.324 4.845 204 HE ARG 29 HE ARG 29 -15.808 -8.186 3.744 205 HH11 ARG 29 HH11 ARG 29 -14.268 -9.308 6.736 206 HH12 ARG 29 HH12 ARG 29 -14.886 -10.915 6.572 207 HH21 ARG 29 HH21 ARG 29 -16.595 -10.313 3.575 208 HH22 ARG 29 HH22 ARG 29 -16.198 -11.485 4.787 209 HA PRO 30 HA PRO 30 -10.154 -6.069 -0.881 210 HB2 PRO 30 HB2 PRO 30 -10.824 -8.208 -2.364 211 HB3 PRO 30 HB1 PRO 30 -9.459 -8.238 -1.245 212 HG2 PRO 30 HG2 PRO 30 -12.203 -9.368 -0.913 213 HG3 PRO 30 HG1 PRO 30 -10.641 -10.051 -0.430 214 HD2 PRO 30 HD2 PRO 30 -12.390 -8.721 1.260 215 HD3 PRO 30 HD1 PRO 30 -10.660 -8.955 1.564 216 H LYS 31 HN LYS 31 -11.487 -4.370 -1.385 217 HA LYS 31 HA LYS 31 -13.649 -4.826 -3.197 218 HB2 LYS 31 HB2 LYS 31 -14.505 -4.783 -0.592 219 HB3 LYS 31 HB1 LYS 31 -14.679 -3.092 -1.024 220 HG2 LYS 31 HG2 LYS 31 -15.917 -4.053 -3.125 221 HG3 LYS 31 HG1 LYS 31 -16.093 -5.489 -2.119 222 HD2 LYS 31 HD2 LYS 31 -16.857 -2.824 -0.974 223 HD3 LYS 31 HD1 LYS 31 -17.925 -3.576 -2.152 224 HE2 LYS 31 HE2 LYS 31 -18.728 -4.252 -0.041 225 HE3 LYS 31 HE1 LYS 31 -17.878 -5.647 -0.691 226 HZ1 LYS 31 HZ1 LYS 31 -17.468 -5.029 1.728 227 HZ2 LYS 31 HZ2 LYS 31 -16.537 -3.745 1.144 228 HZ3 LYS 31 HZ3 LYS 31 -16.108 -5.340 0.776 229 HA PRO 32 HA PRO 32 -12.827 0.046 -2.871 230 HB2 PRO 32 HB2 PRO 32 -10.355 0.095 -1.209 231 HB3 PRO 32 HB1 PRO 32 -11.737 1.193 -1.218 232 HG2 PRO 32 HG2 PRO 32 -11.408 -0.547 0.755 233 HG3 PRO 32 HG1 PRO 32 -13.024 -0.203 0.113 234 HD2 PRO 32 HD2 PRO 32 -11.239 -2.549 -0.402 235 HD3 PRO 32 HD1 PRO 32 -12.976 -2.509 -0.104 236 H LEU 33 HN LEU 33 -10.663 1.476 -3.478 237 HA LEU 33 HA LEU 33 -9.503 0.085 -5.762 238 HB2 LEU 33 HB2 LEU 33 -10.574 2.473 -5.670 239 HB3 LEU 33 HB1 LEU 33 -9.015 2.979 -5.074 240 HG LEU 33 HG LEU 33 -9.426 3.375 -7.514 241 HD11 LEU 33 HD11 LEU 33 -7.128 3.133 -6.442 242 HD12 LEU 33 HD12 LEU 33 -7.237 2.983 -8.195 243 HD13 LEU 33 HD13 LEU 33 -7.076 1.539 -7.198 244 HD21 LEU 33 HD21 LEU 33 -9.070 0.406 -7.883 245 HD22 LEU 33 HD22 LEU 33 -9.405 1.624 -9.114 246 HD23 LEU 33 HD23 LEU 33 -10.637 1.216 -7.921 247 H LEU 34 HN LEU 34 -8.333 1.548 -2.725 248 HA LEU 34 HA LEU 34 -5.609 1.713 -3.241 249 HB2 LEU 34 HB2 LEU 34 -7.089 2.300 -1.103 250 HB3 LEU 34 HB1 LEU 34 -6.442 0.792 -0.518 251 HG LEU 34 HG LEU 34 -5.107 2.558 0.359 252 HD11 LEU 34 HD11 LEU 34 -3.453 1.478 -1.911 253 HD12 LEU 34 HD12 LEU 34 -3.904 0.521 -0.501 254 HD13 LEU 34 HD13 LEU 34 -2.917 1.967 -0.304 255 HD21 LEU 34 HD21 LEU 34 -5.670 4.364 -1.113 256 HD22 LEU 34 HD22 LEU 34 -4.843 3.588 -2.462 257 HD23 LEU 34 HD23 LEU 34 -3.916 4.190 -1.089 258 H LEU 35 HN LEU 35 -7.289 -1.144 -1.856 259 HA LEU 35 HA LEU 35 -4.883 -2.725 -1.886 260 HB2 LEU 35 HB2 LEU 35 -6.455 -4.657 -1.284 261 HB3 LEU 35 HB1 LEU 35 -6.195 -3.385 -0.126 262 HG LEU 35 HG LEU 35 -8.559 -4.386 -0.436 263 HD11 LEU 35 HD11 LEU 35 -7.751 -2.149 0.745 264 HD12 LEU 35 HD12 LEU 35 -9.444 -2.606 0.623 265 HD13 LEU 35 HD13 LEU 35 -8.773 -1.429 -0.499 266 HD21 LEU 35 HD21 LEU 35 -9.994 -3.210 -2.067 267 HD22 LEU 35 HD22 LEU 35 -8.788 -4.236 -2.829 268 HD23 LEU 35 HD23 LEU 35 -8.563 -2.491 -2.789 269 H LYS 36 HN LYS 36 -6.942 -1.921 -4.422 270 HA LYS 36 HA LYS 36 -7.032 -4.412 -5.828 271 HB2 LYS 36 HB2 LYS 36 -8.378 -2.102 -6.147 272 HB3 LYS 36 HB1 LYS 36 -7.133 -1.844 -7.358 273 HG2 LYS 36 HG2 LYS 36 -7.802 -4.140 -8.285 274 HG3 LYS 36 HG1 LYS 36 -9.216 -4.012 -7.241 275 HD2 LYS 36 HD2 LYS 36 -10.046 -3.153 -9.215 276 HD3 LYS 36 HD1 LYS 36 -9.521 -1.679 -8.408 277 HE2 LYS 36 HE2 LYS 36 -7.477 -1.645 -9.710 278 HE3 LYS 36 HE1 LYS 36 -7.871 -3.204 -10.433 279 HZ1 LYS 36 HZ1 LYS 36 -8.378 -1.424 -11.954 280 HZ2 LYS 36 HZ2 LYS 36 -9.372 -0.665 -10.816 281 HZ3 LYS 36 HZ3 LYS 36 -9.820 -2.162 -11.467 282 H LEU 37 HN LEU 37 -4.616 -1.889 -5.518 283 HA LEU 37 HA LEU 37 -3.076 -2.486 -7.850 284 HB2 LEU 37 HB2 LEU 37 -3.001 -0.331 -6.605 285 HB3 LEU 37 HB1 LEU 37 -2.219 -1.142 -5.267 286 HG LEU 37 HG LEU 37 -0.889 -1.263 -7.956 287 HD11 LEU 37 HD11 LEU 37 0.191 0.876 -7.646 288 HD12 LEU 37 HD12 LEU 37 -0.717 1.158 -6.159 289 HD13 LEU 37 HD13 LEU 37 -1.556 1.097 -7.709 290 HD21 LEU 37 HD21 LEU 37 0.086 -1.135 -5.096 291 HD22 LEU 37 HD22 LEU 37 1.155 -1.047 -6.497 292 HD23 LEU 37 HD23 LEU 37 0.193 -2.493 -6.216 293 H LEU 38 HN LEU 38 -2.603 -3.302 -4.385 294 HA LEU 38 HA LEU 38 -0.350 -4.977 -4.832 295 HB2 LEU 38 HB2 LEU 38 -0.947 -5.876 -2.453 296 HB3 LEU 38 HB1 LEU 38 -0.300 -4.270 -2.673 297 HG LEU 38 HG LEU 38 -3.254 -4.364 -2.645 298 HD11 LEU 38 HD11 LEU 38 -1.755 -5.017 -0.107 299 HD12 LEU 38 HD12 LEU 38 -2.790 -6.129 -1.003 300 HD13 LEU 38 HD13 LEU 38 -3.484 -4.692 -0.255 301 HD21 LEU 38 HD21 LEU 38 -2.047 -2.255 -2.648 302 HD22 LEU 38 HD22 LEU 38 -1.189 -2.711 -1.177 303 HD23 LEU 38 HD23 LEU 38 -2.929 -2.435 -1.134 304 H LYS 39 HN LYS 39 -3.732 -5.624 -5.210 305 HA LYS 39 HA LYS 39 -3.658 -8.453 -4.783 306 HB2 LYS 39 HB2 LYS 39 -5.728 -7.006 -4.749 307 HB3 LYS 39 HB1 LYS 39 -5.623 -6.906 -6.499 308 HG2 LYS 39 HG2 LYS 39 -6.260 -9.104 -6.805 309 HG3 LYS 39 HG1 LYS 39 -5.699 -9.606 -5.214 310 HD2 LYS 39 HD2 LYS 39 -8.069 -9.681 -5.139 311 HD3 LYS 39 HD1 LYS 39 -7.591 -8.253 -4.228 312 HE2 LYS 39 HE2 LYS 39 -9.427 -7.571 -5.534 313 HE3 LYS 39 HE1 LYS 39 -8.017 -6.928 -6.369 314 HZ1 LYS 39 HZ1 LYS 39 -9.633 -7.935 -7.884 315 HZ2 LYS 39 HZ2 LYS 39 -9.449 -9.429 -7.116 316 HZ3 LYS 39 HZ3 LYS 39 -8.146 -8.739 -7.948 317 H SER 40 HN SER 40 -2.619 -6.426 -7.425 318 HA SER 40 HA SER 40 -2.610 -8.632 -9.359 319 HB2 SER 40 HB2 SER 40 -1.829 -5.730 -9.768 320 HB3 SER 40 HB1 SER 40 -2.049 -6.947 -11.025 321 HG SER 40 HG SER 40 -3.919 -5.756 -10.903 322 H VAL 41 HN VAL 41 -0.339 -6.676 -7.437 323 HA VAL 41 HA VAL 41 1.998 -7.435 -8.878 324 HB VAL 41 HB VAL 41 3.328 -6.433 -7.158 325 HG11 VAL 41 HG11 VAL 41 2.459 -4.200 -7.116 326 HG12 VAL 41 HG12 VAL 41 0.819 -4.775 -7.399 327 HG13 VAL 41 HG13 VAL 41 2.037 -4.936 -8.661 328 HG21 VAL 41 HG21 VAL 41 2.172 -5.483 -5.063 329 HG22 VAL 41 HG22 VAL 41 2.527 -7.208 -5.093 330 HG23 VAL 41 HG23 VAL 41 0.890 -6.642 -5.408 331 H GLY 42 HN GLY 42 0.486 -8.821 -5.942 332 HA2 GLY 42 HA2 GLY 42 1.168 -11.431 -6.313 333 HA3 GLY 42 HA1 GLY 42 2.613 -10.755 -5.579 334 H ALA 43 HN ALA 43 -0.915 -10.383 -4.997 335 HA ALA 43 HA ALA 43 -0.554 -11.381 -2.252 336 HB1 ALA 43 HB1 ALA 43 -0.404 -8.882 -2.215 337 HB2 ALA 43 HB2 ALA 43 -1.722 -9.545 -1.251 338 HB3 ALA 43 HB3 ALA 43 -2.058 -8.822 -2.824 339 H GLN 44 HN GLN 44 -1.596 -13.278 -3.065 340 HA GLN 44 HA GLN 44 -4.469 -12.998 -3.711 341 HB2 GLN 44 HB2 GLN 44 -2.619 -15.354 -4.200 342 HB3 GLN 44 HB1 GLN 44 -4.310 -15.270 -4.665 343 HG2 GLN 44 HG2 GLN 44 -2.260 -13.322 -5.706 344 HG3 GLN 44 HG1 GLN 44 -2.562 -14.876 -6.473 345 HE21 GLN 44 HE21 GLN 44 -3.955 -11.729 -5.709 346 HE22 GLN 44 HE22 GLN 44 -5.234 -11.816 -6.867 347 H LYS 45 HN LYS 45 -4.948 -12.646 -1.438 348 HA LYS 45 HA LYS 45 -5.117 -15.164 0.112 349 HB2 LYS 45 HB2 LYS 45 -4.235 -12.438 1.089 350 HB3 LYS 45 HB1 LYS 45 -4.798 -13.684 2.188 351 HG2 LYS 45 HG2 LYS 45 -2.580 -14.334 0.290 352 HG3 LYS 45 HG1 LYS 45 -2.236 -13.333 1.697 353 HD2 LYS 45 HD2 LYS 45 -3.704 -15.939 2.018 354 HD3 LYS 45 HD1 LYS 45 -1.952 -15.927 1.839 355 HE2 LYS 45 HE2 LYS 45 -3.372 -14.269 3.921 356 HE3 LYS 45 HE1 LYS 45 -2.878 -15.934 4.214 357 HZ1 LYS 45 HZ1 LYS 45 -1.225 -14.396 5.033 358 HZ2 LYS 45 HZ2 LYS 45 -1.068 -13.680 3.511 359 HZ3 LYS 45 HZ3 LYS 45 -0.580 -15.283 3.744 360 H ASP 46 HN ASP 46 -6.733 -14.895 2.008 361 HA ASP 46 HA ASP 46 -9.270 -14.073 0.917 362 HB2 ASP 46 HB2 ASP 46 -8.479 -15.211 3.614 363 HB3 ASP 46 HB1 ASP 46 -10.138 -14.773 3.223 364 H THR 47 HN THR 47 -7.464 -13.031 3.864 365 HA THR 47 HA THR 47 -8.481 -10.299 3.493 366 HB THR 47 HB THR 47 -8.946 -10.180 5.999 367 HG1 THR 47 HG1 THR 47 -8.153 -11.952 6.908 368 HG21 THR 47 HG21 THR 47 -10.788 -10.338 4.359 369 HG22 THR 47 HG22 THR 47 -11.158 -11.092 5.909 370 HG23 THR 47 HG23 THR 47 -10.739 -12.094 4.520 371 H TYR 48 HN TYR 48 -7.002 -8.736 3.969 372 HA TYR 48 HA TYR 48 -4.429 -9.600 5.152 373 HB2 TYR 48 HB2 TYR 48 -4.307 -7.043 3.712 374 HB3 TYR 48 HB1 TYR 48 -3.284 -8.460 3.574 375 HD1 TYR 48 HD1 TYR 48 -3.789 -10.205 1.881 376 HD2 TYR 48 HD2 TYR 48 -6.160 -6.672 2.179 377 HE1 TYR 48 HE1 TYR 48 -4.737 -10.649 -0.343 378 HE2 TYR 48 HE2 TYR 48 -7.108 -7.117 -0.039 379 HH TYR 48 HH TYR 48 -6.045 -8.648 -2.234 380 H THR 49 HN THR 49 -3.194 -7.605 6.132 381 HA THR 49 HA THR 49 -5.047 -6.166 7.946 382 HB THR 49 HB THR 49 -3.116 -6.041 9.523 383 HG1 THR 49 HG1 THR 49 -1.813 -7.864 7.773 384 HG21 THR 49 HG21 THR 49 -2.975 -8.460 10.135 385 HG22 THR 49 HG22 THR 49 -3.943 -8.816 8.705 386 HG23 THR 49 HG23 THR 49 -4.611 -7.817 9.995 387 H MET 50 HN MET 50 -4.230 -3.986 8.704 388 HA MET 50 HA MET 50 -3.696 -2.283 6.517 389 HB2 MET 50 HB2 MET 50 -4.783 -1.729 8.811 390 HB3 MET 50 HB1 MET 50 -3.141 -1.469 9.371 391 HG2 MET 50 HG2 MET 50 -3.841 0.661 8.807 392 HG3 MET 50 HG1 MET 50 -2.936 0.167 7.382 393 HE1 MET 50 HE1 MET 50 -5.207 2.610 7.618 394 HE2 MET 50 HE2 MET 50 -5.887 2.430 6.003 395 HE3 MET 50 HE3 MET 50 -4.143 2.307 6.244 396 H LYS 51 HN LYS 51 -1.477 -3.857 8.775 397 HA LYS 51 HA LYS 51 0.813 -2.256 8.082 398 HB2 LYS 51 HB2 LYS 51 0.406 -3.578 10.265 399 HB3 LYS 51 HB1 LYS 51 0.932 -4.991 9.367 400 HG2 LYS 51 HG2 LYS 51 2.806 -2.767 9.103 401 HG3 LYS 51 HG1 LYS 51 2.528 -3.199 10.785 402 HD2 LYS 51 HD2 LYS 51 3.079 -5.398 8.827 403 HD3 LYS 51 HD1 LYS 51 4.414 -4.366 9.327 404 HE2 LYS 51 HE2 LYS 51 4.418 -6.250 10.775 405 HE3 LYS 51 HE1 LYS 51 3.815 -4.889 11.713 406 HZ1 LYS 51 HZ1 LYS 51 2.050 -6.901 10.415 407 HZ2 LYS 51 HZ2 LYS 51 1.600 -5.711 11.530 408 HZ3 LYS 51 HZ3 LYS 51 2.570 -7.004 12.021 409 H GLU 52 HN GLU 52 -0.577 -5.297 6.892 410 HA GLU 52 HA GLU 52 1.715 -6.081 5.347 411 HB2 GLU 52 HB2 GLU 52 -1.138 -7.021 5.502 412 HB3 GLU 52 HB1 GLU 52 -0.104 -7.594 4.203 413 HG2 GLU 52 HG2 GLU 52 0.677 -7.834 7.102 414 HG3 GLU 52 HG1 GLU 52 -0.298 -9.048 6.280 415 H VAL 53 HN VAL 53 -1.046 -3.984 4.722 416 HA VAL 53 HA VAL 53 -0.997 -3.978 1.886 417 HB VAL 53 HB VAL 53 -1.953 -1.872 3.856 418 HG11 VAL 53 HG11 VAL 53 -1.541 -0.627 1.865 419 HG12 VAL 53 HG12 VAL 53 -3.274 -0.929 1.926 420 HG13 VAL 53 HG13 VAL 53 -2.252 -1.883 0.854 421 HG21 VAL 53 HG21 VAL 53 -4.170 -2.686 3.376 422 HG22 VAL 53 HG22 VAL 53 -3.154 -4.044 3.846 423 HG23 VAL 53 HG23 VAL 53 -3.547 -3.790 2.149 424 H LEU 54 HN LEU 54 1.010 -2.310 4.266 425 HA LEU 54 HA LEU 54 2.156 -0.429 2.413 426 HB2 LEU 54 HB2 LEU 54 2.141 -0.770 5.226 427 HB3 LEU 54 HB1 LEU 54 3.816 -0.897 4.755 428 HG LEU 54 HG LEU 54 3.270 1.374 5.423 429 HD11 LEU 54 HD11 LEU 54 4.939 0.958 3.604 430 HD12 LEU 54 HD12 LEU 54 4.222 2.567 3.607 431 HD13 LEU 54 HD13 LEU 54 3.677 1.365 2.441 432 HD21 LEU 54 HD21 LEU 54 1.309 1.479 3.123 433 HD22 LEU 54 HD22 LEU 54 1.687 2.771 4.262 434 HD23 LEU 54 HD23 LEU 54 0.859 1.320 4.821 435 H PHE 55 HN PHE 55 3.000 -3.692 3.511 436 HA PHE 55 HA PHE 55 5.688 -3.712 2.552 437 HB2 PHE 55 HB2 PHE 55 4.767 -5.285 4.282 438 HB3 PHE 55 HB1 PHE 55 3.876 -6.103 3.011 439 HD1 PHE 55 HD1 PHE 55 7.236 -5.427 4.374 440 HD2 PHE 55 HD2 PHE 55 4.990 -7.639 1.504 441 HE1 PHE 55 HE1 PHE 55 9.189 -6.856 3.949 442 HE2 PHE 55 HE2 PHE 55 6.943 -9.072 1.084 443 HZ PHE 55 HZ PHE 55 9.045 -8.682 2.303 444 H TYR 56 HN TYR 56 2.602 -4.832 1.087 445 HA TYR 56 HA TYR 56 3.784 -5.943 -1.252 446 HB2 TYR 56 HB2 TYR 56 0.952 -5.020 -0.713 447 HB3 TYR 56 HB1 TYR 56 1.442 -5.808 -2.206 448 HD1 TYR 56 HD2 TYR 56 2.804 -8.122 -1.768 449 HD2 TYR 56 HD1 TYR 56 -0.036 -6.381 0.895 450 HE1 TYR 56 HE2 TYR 56 2.411 -10.321 -0.750 451 HE2 TYR 56 HE1 TYR 56 -0.430 -8.579 1.914 452 HH TYR 56 HH TYR 56 1.371 -10.959 1.930 453 H LEU 57 HN LEU 57 2.671 -2.658 -0.503 454 HA LEU 57 HA LEU 57 2.786 -1.707 -3.211 455 HB2 LEU 57 HB2 LEU 57 1.748 -0.723 -0.833 456 HB3 LEU 57 HB1 LEU 57 3.100 0.350 -1.124 457 HG LEU 57 HG LEU 57 0.867 -0.169 -3.108 458 HD11 LEU 57 HD11 LEU 57 0.001 2.018 -2.495 459 HD12 LEU 57 HD12 LEU 57 1.269 2.204 -1.282 460 HD13 LEU 57 HD13 LEU 57 0.039 0.955 -1.089 461 HD21 LEU 57 HD21 LEU 57 3.084 1.892 -3.110 462 HD22 LEU 57 HD22 LEU 57 1.746 1.831 -4.256 463 HD23 LEU 57 HD23 LEU 57 2.924 0.522 -4.210 464 H GLY 58 HN GLY 58 5.125 -1.847 -0.539 465 HA2 GLY 58 HA2 GLY 58 7.067 -0.101 -1.704 466 HA3 GLY 58 HA1 GLY 58 7.331 -1.220 -0.377 467 H GLN 59 HN GLN 59 6.532 -3.615 -1.924 468 HA GLN 59 HA GLN 59 9.067 -4.283 -3.029 469 HB2 GLN 59 HB2 GLN 59 7.297 -5.838 -1.956 470 HB3 GLN 59 HB1 GLN 59 6.546 -5.869 -3.545 471 HG2 GLN 59 HG2 GLN 59 8.634 -6.771 -4.495 472 HG3 GLN 59 HG1 GLN 59 9.357 -6.757 -2.888 473 HE21 GLN 59 HE21 GLN 59 6.930 -8.283 -4.940 474 HE22 GLN 59 HE22 GLN 59 6.726 -9.689 -3.958 475 H TYR 60 HN TYR 60 6.032 -3.209 -4.525 476 HA TYR 60 HA TYR 60 6.719 -3.845 -7.223 477 HB2 TYR 60 HB2 TYR 60 4.387 -3.385 -6.248 478 HB3 TYR 60 HB1 TYR 60 4.782 -1.678 -6.374 479 HD1 TYR 60 HD2 TYR 60 5.016 -4.704 -8.612 480 HD2 TYR 60 HD1 TYR 60 3.824 -0.629 -8.214 481 HE1 TYR 60 HE2 TYR 60 4.193 -4.720 -10.925 482 HE2 TYR 60 HE1 TYR 60 2.997 -0.644 -10.526 483 HH TYR 60 HH TYR 60 2.167 -2.993 -12.174 484 H ILE 61 HN ILE 61 7.237 -0.989 -5.196 485 HA ILE 61 HA ILE 61 8.072 0.782 -7.280 486 HB ILE 61 HB ILE 61 8.540 0.933 -4.279 487 HG12 ILE 61 HG12 ILE 61 6.502 2.493 -5.892 488 HG13 ILE 61 HG11 ILE 61 6.125 0.929 -5.189 489 HG21 ILE 61 HG21 ILE 61 8.965 3.329 -4.578 490 HG22 ILE 61 HG22 ILE 61 8.842 3.142 -6.322 491 HG23 ILE 61 HG23 ILE 61 10.155 2.364 -5.445 492 HD11 ILE 61 HD11 ILE 61 6.977 3.371 -3.648 493 HD12 ILE 61 HD12 ILE 61 6.541 1.804 -2.964 494 HD13 ILE 61 HD13 ILE 61 5.330 2.765 -3.811 495 H MET 62 HN MET 62 9.768 -1.665 -5.380 496 HA MET 62 HA MET 62 12.419 -0.686 -6.083 497 HB2 MET 62 HB2 MET 62 11.824 -1.789 -3.867 498 HB3 MET 62 HB1 MET 62 11.722 -3.308 -4.738 499 HG2 MET 62 HG2 MET 62 13.843 -3.306 -3.766 500 HG3 MET 62 HG1 MET 62 14.130 -2.905 -5.453 501 HE1 MET 62 HE1 MET 62 16.131 -2.543 -2.979 502 HE2 MET 62 HE2 MET 62 14.940 -1.930 -1.831 503 HE3 MET 62 HE3 MET 62 16.278 -0.904 -2.345 504 H THR 63 HN THR 63 10.352 -3.478 -6.979 505 HA THR 63 HA THR 63 12.334 -4.666 -8.673 506 HB THR 63 HB THR 63 10.539 -5.956 -7.518 507 HG1 THR 63 HG1 THR 63 11.435 -7.134 -9.062 508 HG21 THR 63 HG21 THR 63 8.338 -6.128 -8.297 509 HG22 THR 63 HG22 THR 63 8.675 -5.163 -9.733 510 HG23 THR 63 HG23 THR 63 8.633 -4.396 -8.146 511 H LYS 64 HN LYS 64 9.553 -2.521 -9.340 512 HA LYS 64 HA LYS 64 9.853 -2.753 -12.212 513 HB2 LYS 64 HB2 LYS 64 8.143 -0.915 -10.529 514 HB3 LYS 64 HB1 LYS 64 8.121 -0.928 -12.283 515 HG2 LYS 64 HG2 LYS 64 7.511 -3.382 -10.647 516 HG3 LYS 64 HG1 LYS 64 6.283 -2.198 -11.081 517 HD2 LYS 64 HD2 LYS 64 8.021 -3.537 -13.156 518 HD3 LYS 64 HD1 LYS 64 6.517 -4.256 -12.586 519 HE2 LYS 64 HE2 LYS 64 5.390 -2.066 -13.234 520 HE3 LYS 64 HE1 LYS 64 6.893 -1.651 -14.056 521 HZ1 LYS 64 HZ1 LYS 64 6.632 -3.717 -15.371 522 HZ2 LYS 64 HZ2 LYS 64 5.386 -2.602 -15.623 523 HZ3 LYS 64 HZ3 LYS 64 5.118 -3.958 -14.650 524 H ARG 65 HN ARG 65 11.505 -0.868 -9.872 525 HA ARG 65 HA ARG 65 13.009 0.809 -9.990 526 HB2 ARG 65 HB2 ARG 65 12.875 0.333 -12.986 527 HB3 ARG 65 HB1 ARG 65 14.019 1.414 -12.208 528 HG2 ARG 65 HG2 ARG 65 14.999 -0.455 -10.998 529 HG3 ARG 65 HG1 ARG 65 13.819 -1.555 -11.708 530 HD2 ARG 65 HD2 ARG 65 14.706 -1.029 -13.948 531 HD3 ARG 65 HD1 ARG 65 15.913 0.024 -13.211 532 HE ARG 65 HE ARG 65 16.225 -2.452 -12.012 533 HH11 ARG 65 HH11 ARG 65 16.539 -1.183 -15.304 534 HH12 ARG 65 HH12 ARG 65 17.687 -2.388 -15.772 535 HH21 ARG 65 HH21 ARG 65 17.737 -4.019 -12.674 536 HH22 ARG 65 HH22 ARG 65 18.366 -3.990 -14.287 537 H LEU 66 HN LEU 66 11.313 2.116 -9.100 538 HA LEU 66 HA LEU 66 10.049 4.045 -10.940 539 HB2 LEU 66 HB2 LEU 66 9.354 2.936 -8.274 540 HB3 LEU 66 HB1 LEU 66 8.965 4.622 -8.502 541 HG LEU 66 HG LEU 66 7.063 3.101 -8.930 542 HD11 LEU 66 HD11 LEU 66 6.291 4.124 -10.982 543 HD12 LEU 66 HD12 LEU 66 7.940 4.591 -11.402 544 HD13 LEU 66 HD13 LEU 66 7.150 5.308 -9.997 545 HD21 LEU 66 HD21 LEU 66 8.399 1.222 -9.879 546 HD22 LEU 66 HD22 LEU 66 8.576 2.155 -11.366 547 HD23 LEU 66 HD23 LEU 66 6.975 1.643 -10.830 548 H TYR 67 HN TYR 67 11.996 3.901 -7.931 549 HA TYR 67 HA TYR 67 12.711 6.735 -8.310 550 HB2 TYR 67 HB2 TYR 67 13.092 6.955 -6.004 551 HB3 TYR 67 HB1 TYR 67 11.632 5.994 -6.114 552 HD1 TYR 67 HD1 TYR 67 12.033 3.341 -5.943 553 HD2 TYR 67 HD2 TYR 67 14.748 6.303 -4.518 554 HE1 TYR 67 HE1 TYR 67 13.025 1.695 -4.417 555 HE2 TYR 67 HE2 TYR 67 15.743 4.657 -2.993 556 HH TYR 67 HH TYR 67 15.723 1.696 -3.195 557 H ASP 68 HN ASP 68 14.530 6.975 -9.448 558 HA ASP 68 HA ASP 68 16.934 5.470 -8.690 559 HB2 ASP 68 HB2 ASP 68 15.636 5.423 -11.413 560 HB3 ASP 68 HB1 ASP 68 17.377 5.227 -11.264 561 H GLU 69 HN GLU 69 17.876 7.340 -7.877 562 HA GLU 69 HA GLU 69 19.120 9.086 -9.797 563 HB2 GLU 69 HB2 GLU 69 18.250 11.216 -8.883 564 HB3 GLU 69 HB1 GLU 69 17.006 10.260 -9.663 565 HG2 GLU 69 HG2 GLU 69 16.918 9.545 -6.935 566 HG3 GLU 69 HG1 GLU 69 17.123 11.293 -6.974 567 H LYS 70 HN LYS 70 20.638 10.683 -8.736 568 HA LYS 70 HA LYS 70 22.075 9.397 -6.591 569 HB2 LYS 70 HB2 LYS 70 22.558 12.069 -7.949 570 HB3 LYS 70 HB1 LYS 70 23.651 11.331 -6.787 571 HG2 LYS 70 HG2 LYS 70 22.878 10.036 -9.402 572 HG3 LYS 70 HG1 LYS 70 24.288 11.074 -9.200 573 HD2 LYS 70 HD2 LYS 70 25.227 9.540 -7.560 574 HD3 LYS 70 HD1 LYS 70 23.788 8.524 -7.644 575 HE2 LYS 70 HE2 LYS 70 25.487 9.087 -10.067 576 HE3 LYS 70 HE1 LYS 70 25.856 7.774 -8.954 577 HZ1 LYS 70 HZ1 LYS 70 23.328 8.097 -10.490 578 HZ2 LYS 70 HZ2 LYS 70 23.646 6.851 -9.389 579 HZ3 LYS 70 HZ3 LYS 70 24.555 6.977 -10.808 580 H GLN 71 HN GLN 71 20.443 12.589 -6.891 581 HA GLN 71 HA GLN 71 20.456 12.885 -3.964 582 HB2 GLN 71 HB2 GLN 71 19.727 14.838 -6.173 583 HB3 GLN 71 HB1 GLN 71 19.612 15.204 -4.458 584 HG2 GLN 71 HG2 GLN 71 22.206 14.348 -5.721 585 HG3 GLN 71 HG1 GLN 71 21.671 16.025 -5.734 586 HE21 GLN 71 HE21 GLN 71 22.866 13.401 -3.742 587 HE22 GLN 71 HE22 GLN 71 23.167 14.357 -2.336 588 H GLN 72 HN GLN 72 18.847 11.580 -3.172 589 HA GLN 72 HA GLN 72 16.334 11.194 -4.476 590 HB2 GLN 72 HB2 GLN 72 17.100 10.539 -1.614 591 HB3 GLN 72 HB1 GLN 72 15.675 9.946 -2.451 592 HG2 GLN 72 HG2 GLN 72 18.491 9.366 -3.365 593 HG3 GLN 72 HG1 GLN 72 17.602 8.339 -2.248 594 HE21 GLN 72 HE21 GLN 72 18.373 6.976 -4.291 595 HE22 GLN 72 HE22 GLN 72 17.139 6.750 -5.477 596 H HIS 73 HN HIS 73 14.712 12.624 -4.584 597 HA HIS 73 HA HIS 73 13.964 14.161 -2.201 598 HB2 HIS 73 HB2 HIS 73 13.712 16.252 -3.454 599 HB3 HIS 73 HB1 HIS 73 15.374 15.698 -3.476 600 HD1 HIS 73 HD1 HIS 73 16.040 14.390 -5.830 601 HD2 HIS 73 HD2 HIS 73 12.753 16.934 -5.892 602 HE1 HIS 73 HE1 HIS 73 15.640 14.917 -8.256 603 HE2 HIS 73 HE2 HIS 73 13.603 16.399 -8.273 604 H ILE 74 HN ILE 74 12.991 13.308 -5.567 605 HA ILE 74 HA ILE 74 10.308 12.710 -4.598 606 HB ILE 74 HB ILE 74 10.439 15.185 -5.354 607 HG12 ILE 74 HG12 ILE 74 8.296 13.526 -6.704 608 HG13 ILE 74 HG11 ILE 74 8.360 13.775 -4.966 609 HG21 ILE 74 HG21 ILE 74 10.348 15.758 -7.634 610 HG22 ILE 74 HG22 ILE 74 10.143 14.082 -8.143 611 HG23 ILE 74 HG23 ILE 74 11.692 14.624 -7.499 612 HD11 ILE 74 HD11 ILE 74 6.789 15.300 -5.916 613 HD12 ILE 74 HD12 ILE 74 7.983 15.889 -7.071 614 HD13 ILE 74 HD13 ILE 74 8.187 16.213 -5.349 615 H VAL 75 HN VAL 75 9.121 11.249 -5.928 616 HA VAL 75 HA VAL 75 10.772 9.843 -7.929 617 HB VAL 75 HB VAL 75 9.472 7.870 -7.583 618 HG11 VAL 75 HG11 VAL 75 9.979 9.060 -4.855 619 HG12 VAL 75 HG12 VAL 75 11.212 8.361 -5.905 620 HG13 VAL 75 HG13 VAL 75 9.916 7.347 -5.273 621 HG21 VAL 75 HG21 VAL 75 7.227 8.612 -7.400 622 HG22 VAL 75 HG22 VAL 75 7.578 9.567 -5.964 623 HG23 VAL 75 HG23 VAL 75 7.595 7.810 -5.875 624 H TYR 76 HN TYR 76 9.653 8.909 -9.854 625 HA TYR 76 HA TYR 76 7.449 10.638 -10.833 626 HB2 TYR 76 HB2 TYR 76 9.810 9.557 -12.407 627 HB3 TYR 76 HB1 TYR 76 8.446 10.421 -13.108 628 HD1 TYR 76 HD2 TYR 76 8.191 12.848 -12.762 629 HD2 TYR 76 HD1 TYR 76 11.545 10.752 -11.169 630 HE1 TYR 76 HE2 TYR 76 9.352 14.981 -12.402 631 HE2 TYR 76 HE1 TYR 76 12.709 12.883 -10.807 632 HH TYR 76 HH TYR 76 11.558 15.591 -10.502 633 H CYS 77 HN CYS 77 5.878 9.667 -12.190 634 HA CYS 77 HA CYS 77 5.582 6.776 -11.833 635 HB2 CYS 77 HB2 CYS 77 3.274 7.079 -12.606 636 HB3 CYS 77 HB1 CYS 77 3.649 8.188 -11.298 637 HG CYS 77 HG CYS 77 3.551 10.151 -12.942 638 H SER 78 HN SER 78 4.826 5.400 -13.673 639 HA SER 78 HA SER 78 5.978 6.243 -16.270 640 HB2 SER 78 HB2 SER 78 6.154 3.470 -15.052 641 HB3 SER 78 HB1 SER 78 6.839 3.980 -16.595 642 HG SER 78 HG SER 78 8.302 3.942 -14.720 643 H ASN 79 HN ASN 79 3.292 6.653 -15.803 644 HA ASN 79 HA ASN 79 1.189 6.270 -16.559 645 HB2 ASN 79 HB2 ASN 79 2.770 4.924 -18.764 646 HB3 ASN 79 HB1 ASN 79 1.032 5.171 -18.850 647 HD21 ASN 79 HD21 ASN 79 0.420 6.958 -19.911 648 HD22 ASN 79 HD22 ASN 79 1.364 8.392 -20.088 649 H ASP 80 HN ASP 80 1.117 4.846 -14.534 650 HA ASP 80 HA ASP 80 -0.043 2.244 -15.265 651 HB2 ASP 80 HB2 ASP 80 2.237 2.664 -13.314 652 HB3 ASP 80 HB1 ASP 80 1.156 1.286 -13.154 653 H LEU 81 HN LEU 81 -0.966 1.250 -13.005 654 HA LEU 81 HA LEU 81 -2.997 3.045 -12.164 655 HB2 LEU 81 HB2 LEU 81 -3.566 1.233 -10.448 656 HB3 LEU 81 HB1 LEU 81 -3.745 0.869 -12.138 657 HG LEU 81 HG LEU 81 -2.738 -0.856 -10.388 658 HD11 LEU 81 HD11 LEU 81 -1.838 -0.573 -13.244 659 HD12 LEU 81 HD12 LEU 81 -3.214 -1.477 -12.619 660 HD13 LEU 81 HD13 LEU 81 -1.575 -2.010 -12.256 661 HD21 LEU 81 HD21 LEU 81 -0.790 0.668 -9.831 662 HD22 LEU 81 HD22 LEU 81 -0.141 0.271 -11.418 663 HD23 LEU 81 HD23 LEU 81 -0.402 -1.000 -10.229 664 H LEU 82 HN LEU 82 0.197 2.949 -11.081 665 HA LEU 82 HA LEU 82 0.057 3.289 -8.319 666 HB2 LEU 82 HB2 LEU 82 2.087 3.139 -10.041 667 HB3 LEU 82 HB1 LEU 82 2.049 4.878 -9.909 668 HG LEU 82 HG LEU 82 3.749 3.951 -8.458 669 HD11 LEU 82 HD11 LEU 82 3.266 5.063 -6.428 670 HD12 LEU 82 HD12 LEU 82 1.527 4.901 -6.666 671 HD13 LEU 82 HD13 LEU 82 2.466 5.968 -7.712 672 HD21 LEU 82 HD21 LEU 82 2.698 1.721 -8.131 673 HD22 LEU 82 HD22 LEU 82 1.593 2.455 -6.967 674 HD23 LEU 82 HD23 LEU 82 3.327 2.439 -6.648 675 H GLY 83 HN GLY 83 -0.358 5.748 -10.901 676 HA2 GLY 83 HA2 GLY 83 -0.793 7.863 -8.907 677 HA3 GLY 83 HA1 GLY 83 -0.624 8.080 -10.636 678 H ASP 84 HN ASP 84 -2.870 5.713 -9.250 679 HA ASP 84 HA ASP 84 -5.139 7.348 -10.209 680 HB2 ASP 84 HB2 ASP 84 -4.611 5.063 -11.297 681 HB3 ASP 84 HB1 ASP 84 -5.230 4.351 -9.812 682 H LEU 85 HN LEU 85 -3.816 5.678 -7.418 683 HA LEU 85 HA LEU 85 -6.291 5.904 -5.886 684 HB2 LEU 85 HB2 LEU 85 -4.371 5.144 -4.034 685 HB3 LEU 85 HB1 LEU 85 -5.490 4.090 -4.856 686 HG LEU 85 HG LEU 85 -2.769 4.648 -6.039 687 HD11 LEU 85 HD11 LEU 85 -3.414 2.571 -3.948 688 HD12 LEU 85 HD12 LEU 85 -2.306 3.931 -3.780 689 HD13 LEU 85 HD13 LEU 85 -1.934 2.626 -4.904 690 HD21 LEU 85 HD21 LEU 85 -3.086 2.493 -7.103 691 HD22 LEU 85 HD22 LEU 85 -4.482 3.513 -7.433 692 HD23 LEU 85 HD23 LEU 85 -4.591 2.238 -6.221 693 H PHE 86 HN PHE 86 -3.045 7.372 -5.959 694 HA PHE 86 HA PHE 86 -3.653 9.165 -3.748 695 HB2 PHE 86 HB2 PHE 86 -1.241 9.152 -5.592 696 HB3 PHE 86 HB1 PHE 86 -1.397 10.056 -4.090 697 HD1 PHE 86 HD1 PHE 86 -1.850 8.614 -1.937 698 HD2 PHE 86 HD2 PHE 86 -0.200 7.068 -5.554 699 HE1 PHE 86 HE1 PHE 86 -0.899 6.721 -0.695 700 HE2 PHE 86 HE2 PHE 86 0.751 5.176 -4.310 701 HZ PHE 86 HZ PHE 86 0.404 4.999 -1.879 702 H GLY 87 HN GLY 87 -3.271 9.401 -7.298 703 HA2 GLY 87 HA2 GLY 87 -4.312 10.881 -8.749 704 HA3 GLY 87 HA1 GLY 87 -4.966 11.755 -7.375 705 H VAL 88 HN VAL 88 -1.525 11.035 -7.949 706 HA VAL 88 HA VAL 88 -1.025 13.833 -8.677 707 HB VAL 88 HB VAL 88 1.024 13.813 -7.142 708 HG11 VAL 88 HG11 VAL 88 -0.278 14.512 -5.142 709 HG12 VAL 88 HG12 VAL 88 -1.736 13.931 -5.936 710 HG13 VAL 88 HG13 VAL 88 -0.813 15.250 -6.647 711 HG21 VAL 88 HG21 VAL 88 -0.466 11.530 -5.820 712 HG22 VAL 88 HG22 VAL 88 0.890 12.404 -5.109 713 HG23 VAL 88 HG23 VAL 88 1.127 11.454 -6.574 714 HA PRO 89 HA PRO 89 1.702 11.844 -11.612 715 HB2 PRO 89 HB2 PRO 89 3.263 13.948 -12.366 716 HB3 PRO 89 HB1 PRO 89 1.584 13.760 -12.880 717 HG2 PRO 89 HG2 PRO 89 2.721 15.488 -10.727 718 HG3 PRO 89 HG1 PRO 89 1.440 15.845 -11.896 719 HD2 PRO 89 HD2 PRO 89 0.968 15.146 -9.295 720 HD3 PRO 89 HD1 PRO 89 -0.175 14.849 -10.617 721 H SER 90 HN SER 90 3.214 13.870 -9.073 722 HA SER 90 HA SER 90 5.335 11.857 -8.747 723 HB2 SER 90 HB2 SER 90 6.980 13.744 -8.394 724 HB3 SER 90 HB1 SER 90 6.405 13.572 -10.049 725 HG SER 90 HG SER 90 5.932 15.604 -8.206 726 H PHE 91 HN PHE 91 6.032 11.538 -6.618 727 HA PHE 91 HA PHE 91 5.019 13.265 -4.481 728 HB2 PHE 91 HB2 PHE 91 3.984 11.431 -3.239 729 HB3 PHE 91 HB1 PHE 91 3.231 11.587 -4.819 730 HD1 PHE 91 HD1 PHE 91 3.685 9.887 -6.586 731 HD2 PHE 91 HD2 PHE 91 5.153 9.431 -2.608 732 HE1 PHE 91 HE1 PHE 91 4.110 7.504 -7.013 733 HE2 PHE 91 HE2 PHE 91 5.578 7.051 -3.038 734 HZ PHE 91 HZ PHE 91 5.058 6.084 -5.240 735 H SER 92 HN SER 92 5.874 12.461 -2.251 736 HA SER 92 HA SER 92 8.732 11.873 -2.573 737 HB2 SER 92 HB2 SER 92 7.098 12.959 -0.273 738 HB3 SER 92 HB1 SER 92 8.789 12.494 -0.086 739 HG SER 92 HG SER 92 9.398 14.176 -1.259 740 H VAL 93 HN VAL 93 9.767 10.076 -1.743 741 HA VAL 93 HA VAL 93 8.072 7.836 -0.957 742 HB VAL 93 HB VAL 93 9.851 7.607 -2.726 743 HG11 VAL 93 HG11 VAL 93 11.636 8.879 -1.460 744 HG12 VAL 93 HG12 VAL 93 12.149 7.379 -2.227 745 HG13 VAL 93 HG13 VAL 93 11.864 7.423 -0.489 746 HG21 VAL 93 HG21 VAL 93 10.103 5.670 -0.424 747 HG22 VAL 93 HG22 VAL 93 10.464 5.348 -2.121 748 HG23 VAL 93 HG23 VAL 93 8.806 5.673 -1.620 749 H LYS 94 HN LYS 94 10.808 9.672 0.464 750 HA LYS 94 HA LYS 94 10.881 8.080 2.849 751 HB2 LYS 94 HB2 LYS 94 12.439 9.796 3.737 752 HB3 LYS 94 HB1 LYS 94 12.920 9.129 2.192 753 HG2 LYS 94 HG2 LYS 94 11.549 11.376 1.413 754 HG3 LYS 94 HG1 LYS 94 12.238 11.887 2.946 755 HD2 LYS 94 HD2 LYS 94 13.841 12.491 1.328 756 HD3 LYS 94 HD1 LYS 94 14.477 11.033 2.077 757 HE2 LYS 94 HE2 LYS 94 14.811 10.893 -0.299 758 HE3 LYS 94 HE1 LYS 94 13.587 9.716 0.160 759 HZ1 LYS 94 HZ1 LYS 94 13.013 10.928 -1.871 760 HZ2 LYS 94 HZ2 LYS 94 13.023 12.389 -1.022 761 HZ3 LYS 94 HZ3 LYS 94 11.876 11.203 -0.652 762 H GLU 95 HN GLU 95 8.840 10.718 1.889 763 HA GLU 95 HA GLU 95 8.233 11.621 4.573 764 HB2 GLU 95 HB2 GLU 95 6.898 12.153 1.900 765 HB3 GLU 95 HB1 GLU 95 6.299 12.811 3.416 766 HG2 GLU 95 HG2 GLU 95 8.647 13.814 3.693 767 HG3 GLU 95 HG1 GLU 95 8.866 13.433 1.987 768 H HIS 96 HN HIS 96 7.377 10.088 5.886 769 HA HIS 96 HA HIS 96 5.455 8.141 4.887 770 HB2 HIS 96 HB2 HIS 96 6.635 8.439 7.662 771 HB3 HIS 96 HB1 HIS 96 5.661 7.088 7.099 772 HD1 HIS 96 HD1 HIS 96 8.333 6.350 8.167 773 HD2 HIS 96 HD2 HIS 96 7.800 7.421 4.183 774 HE1 HIS 96 HE1 HIS 96 10.259 5.311 6.918 775 HE2 HIS 96 HE2 HIS 96 9.903 5.962 4.517 776 H ARG 97 HN ARG 97 5.247 11.205 6.468 777 HA ARG 97 HA ARG 97 2.641 10.640 7.657 778 HB2 ARG 97 HB2 ARG 97 2.714 12.992 8.460 779 HB3 ARG 97 HB1 ARG 97 4.073 12.021 8.993 780 HG2 ARG 97 HG2 ARG 97 5.500 13.079 7.301 781 HG3 ARG 97 HG1 ARG 97 4.133 14.050 6.756 782 HD2 ARG 97 HD2 ARG 97 4.003 14.909 9.164 783 HD3 ARG 97 HD1 ARG 97 5.591 14.172 9.390 784 HE ARG 97 HE ARG 97 5.702 15.811 7.118 785 HH11 ARG 97 HH11 ARG 97 5.371 16.211 10.621 786 HH12 ARG 97 HH12 ARG 97 6.072 17.792 10.613 787 HH21 ARG 97 HH21 ARG 97 6.615 17.888 7.151 788 HH22 ARG 97 HH22 ARG 97 6.777 18.743 8.648 789 H LYS 98 HN LYS 98 3.522 11.194 4.540 790 HA LYS 98 HA LYS 98 1.133 12.810 3.899 791 HB2 LYS 98 HB2 LYS 98 3.440 13.665 3.190 792 HB3 LYS 98 HB1 LYS 98 3.487 12.323 2.057 793 HG2 LYS 98 HG2 LYS 98 1.425 13.199 0.989 794 HG3 LYS 98 HG1 LYS 98 1.468 14.575 2.093 795 HD2 LYS 98 HD2 LYS 98 3.663 15.224 1.179 796 HD3 LYS 98 HD1 LYS 98 3.604 13.851 0.072 797 HE2 LYS 98 HE2 LYS 98 1.540 14.808 -0.930 798 HE3 LYS 98 HE1 LYS 98 1.715 16.211 0.123 799 HZ1 LYS 98 HZ1 LYS 98 3.614 15.338 -1.993 800 HZ2 LYS 98 HZ2 LYS 98 3.892 16.625 -0.930 801 HZ3 LYS 98 HZ3 LYS 98 2.614 16.702 -2.033 802 H ILE 99 HN ILE 99 2.840 9.760 3.211 803 HA ILE 99 HA ILE 99 0.976 8.977 1.134 804 HB ILE 99 HB ILE 99 3.053 7.179 2.422 805 HG12 ILE 99 HG12 ILE 99 3.491 8.796 -0.110 806 HG13 ILE 99 HG11 ILE 99 4.009 9.375 1.459 807 HG21 ILE 99 HG21 ILE 99 1.433 5.966 1.095 808 HG22 ILE 99 HG22 ILE 99 2.965 6.004 0.228 809 HG23 ILE 99 HG23 ILE 99 1.653 7.075 -0.258 810 HD11 ILE 99 HD11 ILE 99 5.346 7.616 -0.329 811 HD12 ILE 99 HD12 ILE 99 5.042 6.756 1.182 812 HD13 ILE 99 HD13 ILE 99 5.914 8.286 1.197 813 H TYR 100 HN TYR 100 1.475 8.122 4.586 814 HA TYR 100 HA TYR 100 -0.387 5.958 4.603 815 HB2 TYR 100 HB2 TYR 100 1.339 7.200 6.533 816 HB3 TYR 100 HB1 TYR 100 -0.263 7.078 7.238 817 HD1 TYR 100 HD2 TYR 100 -1.398 4.618 6.671 818 HD2 TYR 100 HD1 TYR 100 2.770 5.443 7.051 819 HE1 TYR 100 HE2 TYR 100 -0.983 2.263 7.219 820 HE2 TYR 100 HE1 TYR 100 3.187 3.085 7.600 821 HH TYR 100 HH TYR 100 1.286 0.672 6.951 822 H THR 101 HN THR 101 -0.798 9.434 5.105 823 HA THR 101 HA THR 101 -3.395 9.389 6.237 824 HB THR 101 HB THR 101 -2.273 11.606 4.497 825 HG1 THR 101 HG1 THR 101 -0.690 11.449 5.924 826 HG21 THR 101 HG21 THR 101 -4.542 12.050 5.172 827 HG22 THR 101 HG22 THR 101 -3.443 13.092 6.074 828 HG23 THR 101 HG23 THR 101 -4.152 11.677 6.852 829 H MET 102 HN MET 102 -2.293 9.365 2.852 830 HA MET 102 HA MET 102 -4.873 9.756 1.667 831 HB2 MET 102 HB2 MET 102 -2.323 8.606 0.492 832 HB3 MET 102 HB1 MET 102 -3.756 8.996 -0.444 833 HG2 MET 102 HG2 MET 102 -2.344 11.076 1.208 834 HG3 MET 102 HG1 MET 102 -1.809 10.667 -0.418 835 HE1 MET 102 HE1 MET 102 -3.759 14.194 -0.486 836 HE2 MET 102 HE2 MET 102 -2.210 13.443 -0.870 837 HE3 MET 102 HE3 MET 102 -2.768 13.507 0.801 838 H ILE 103 HN ILE 103 -3.048 6.907 2.692 839 HA ILE 103 HA ILE 103 -4.688 4.948 1.395 840 HB ILE 103 HB ILE 103 -2.720 4.714 3.696 841 HG12 ILE 103 HG12 ILE 103 -2.321 3.696 0.878 842 HG13 ILE 103 HG11 ILE 103 -1.973 5.368 1.285 843 HG21 ILE 103 HG21 ILE 103 -4.035 2.453 2.175 844 HG22 ILE 103 HG22 ILE 103 -4.266 2.842 3.877 845 HG23 ILE 103 HG23 ILE 103 -2.699 2.278 3.311 846 HD11 ILE 103 HD11 ILE 103 -0.666 2.924 2.456 847 HD12 ILE 103 HD12 ILE 103 -0.366 4.578 2.986 848 HD13 ILE 103 HD13 ILE 103 0.048 4.091 1.345 849 H TYR 104 HN TYR 104 -4.988 6.741 4.396 850 HA TYR 104 HA TYR 104 -6.816 4.949 5.700 851 HB2 TYR 104 HB2 TYR 104 -5.353 6.451 6.973 852 HB3 TYR 104 HB1 TYR 104 -6.146 7.851 6.270 853 HD1 TYR 104 HD2 TYR 104 -6.814 4.861 8.424 854 HD2 TYR 104 HD1 TYR 104 -7.991 8.821 7.369 855 HE1 TYR 104 HE2 TYR 104 -8.411 4.883 10.289 856 HE2 TYR 104 HE1 TYR 104 -9.588 8.847 9.232 857 HH TYR 104 HH TYR 104 -9.578 7.271 11.693 858 H ARG 105 HN ARG 105 -7.285 7.367 3.222 859 HA ARG 105 HA ARG 105 -10.120 7.718 3.922 860 HB2 ARG 105 HB2 ARG 105 -8.302 9.164 1.998 861 HB3 ARG 105 HB1 ARG 105 -10.039 9.415 2.000 862 HG2 ARG 105 HG2 ARG 105 -8.426 9.779 4.512 863 HG3 ARG 105 HG1 ARG 105 -8.538 11.054 3.302 864 HD2 ARG 105 HD2 ARG 105 -10.255 11.602 4.759 865 HD3 ARG 105 HD1 ARG 105 -11.103 10.703 3.505 866 HE ARG 105 HE ARG 105 -10.235 9.097 5.751 867 HH11 ARG 105 HH11 ARG 105 -12.909 11.076 4.528 868 HH12 ARG 105 HH12 ARG 105 -14.081 10.297 5.530 869 HH21 ARG 105 HH21 ARG 105 -11.813 8.108 7.058 870 HH22 ARG 105 HH22 ARG 105 -13.465 8.621 6.961 871 H ASN 106 HN ASN 106 -8.208 5.933 1.581 872 HA ASN 106 HA ASN 106 -10.674 5.384 0.024 873 HB2 ASN 106 HB2 ASN 106 -7.780 5.285 -0.879 874 HB3 ASN 106 HB1 ASN 106 -9.150 4.788 -1.864 875 HD21 ASN 106 HD21 ASN 106 -7.402 7.501 -0.528 876 HD22 ASN 106 HD22 ASN 106 -8.213 8.716 -1.449 877 H LEU 107 HN LEU 107 -10.353 3.879 2.373 878 HA LEU 107 HA LEU 107 -10.146 1.215 1.223 879 HB2 LEU 107 HB2 LEU 107 -8.485 0.323 2.584 880 HB3 LEU 107 HB1 LEU 107 -7.846 1.854 2.062 881 HG LEU 107 HG LEU 107 -7.147 1.829 4.239 882 HD11 LEU 107 HD11 LEU 107 -8.287 3.409 5.538 883 HD12 LEU 107 HD12 LEU 107 -9.847 3.006 4.831 884 HD13 LEU 107 HD13 LEU 107 -8.632 3.839 3.866 885 HD21 LEU 107 HD21 LEU 107 -9.706 0.678 5.311 886 HD22 LEU 107 HD22 LEU 107 -8.124 0.756 6.078 887 HD23 LEU 107 HD23 LEU 107 -8.386 -0.327 4.714 888 H VAL 108 HN VAL 108 -10.742 -0.544 2.877 889 HA VAL 108 HA VAL 108 -12.915 0.434 4.633 890 HB VAL 108 HB VAL 108 -13.750 -0.704 2.572 891 HG11 VAL 108 HG11 VAL 108 -12.620 -3.269 3.684 892 HG12 VAL 108 HG12 VAL 108 -11.899 -2.365 2.352 893 HG13 VAL 108 HG13 VAL 108 -13.517 -3.043 2.182 894 HG21 VAL 108 HG21 VAL 108 -15.079 -0.655 4.651 895 HG22 VAL 108 HG22 VAL 108 -14.409 -2.225 5.098 896 HG23 VAL 108 HG23 VAL 108 -15.418 -2.073 3.659 897 H VAL 109 HN VAL 109 -13.207 -0.582 6.650 898 HA VAL 109 HA VAL 109 -11.147 -2.539 7.474 899 HB VAL 109 HB VAL 109 -11.198 -1.396 9.775 900 HG11 VAL 109 HG11 VAL 109 -9.271 -1.342 8.252 901 HG12 VAL 109 HG12 VAL 109 -9.417 0.133 9.206 902 HG13 VAL 109 HG13 VAL 109 -9.911 0.126 7.513 903 HG21 VAL 109 HG21 VAL 109 -12.094 1.035 8.222 904 HG22 VAL 109 HG22 VAL 109 -11.811 0.890 9.957 905 HG23 VAL 109 HG23 VAL 109 -13.183 0.069 9.219 906 H VAL 110 HN VAL 110 -11.689 -3.733 9.491 907 HA VAL 110 HA VAL 110 -14.495 -4.568 9.434 908 HB VAL 110 HB VAL 110 -12.217 -5.844 10.992 909 HG11 VAL 110 HG11 VAL 110 -14.403 -6.500 11.827 910 HG12 VAL 110 HG12 VAL 110 -13.661 -7.852 10.976 911 HG13 VAL 110 HG13 VAL 110 -14.934 -6.913 10.196 912 HG21 VAL 110 HG21 VAL 110 -12.083 -7.498 9.159 913 HG22 VAL 110 HG22 VAL 110 -11.641 -5.878 8.630 914 HG23 VAL 110 HG23 VAL 110 -13.226 -6.533 8.223 915 H ASN 111 HN ASN 111 -12.082 -3.734 11.990 916 HA ASN 111 HA ASN 111 -14.297 -3.074 13.818 917 HB2 ASN 111 HB2 ASN 111 -12.544 -3.047 15.609 918 HB3 ASN 111 HB1 ASN 111 -12.724 -4.598 14.808 919 HD21 ASN 111 HD21 ASN 111 -10.552 -2.058 15.611 920 HD22 ASN 111 HD22 ASN 111 -9.164 -2.704 14.811 921 H GLN 112 HN GLN 112 -14.922 -1.014 13.997 922 HA GLN 112 HA GLN 112 -12.996 1.156 13.384 923 HB2 GLN 112 HB2 GLN 112 -16.001 1.041 12.992 924 HB3 GLN 112 HB1 GLN 112 -15.049 2.507 12.808 925 HG2 GLN 112 HG2 GLN 112 -13.858 1.587 10.951 926 HG3 GLN 112 HG1 GLN 112 -14.591 0.005 11.197 927 HE21 GLN 112 HE21 GLN 112 -14.931 3.094 9.716 928 HE22 GLN 112 HE22 GLN 112 -16.483 2.823 9.012 929 H GLN 113 HN GLN 113 -13.382 3.234 14.505 930 HA GLN 113 HA GLN 113 -13.743 2.857 17.349 931 HB2 GLN 113 HB2 GLN 113 -13.214 5.359 15.715 932 HB3 GLN 113 HB1 GLN 113 -13.270 5.324 17.473 933 HG2 GLN 113 HG2 GLN 113 -11.347 3.867 17.554 934 HG3 GLN 113 HG1 GLN 113 -11.329 3.735 15.797 935 HE21 GLN 113 HE21 GLN 113 -10.606 5.798 18.538 936 HE22 GLN 113 HE22 GLN 113 -9.690 6.965 17.653 937 H GLU 114 HN GLU 114 -15.522 4.519 14.740 938 HA GLU 114 HA GLU 114 -17.780 5.060 16.563 939 HB2 GLU 114 HB2 GLU 114 -16.591 6.804 14.891 940 HB3 GLU 114 HB1 GLU 114 -17.728 6.108 13.752 941 HG2 GLU 114 HG2 GLU 114 -18.794 8.009 14.585 942 HG3 GLU 114 HG1 GLU 114 -19.546 6.673 15.448 943 H SER 115 HN SER 115 -19.989 4.572 15.760 944 HA SER 115 HA SER 115 -20.157 1.935 14.656 945 HB2 SER 115 HB2 SER 115 -22.377 3.923 15.235 946 HB3 SER 115 HB1 SER 115 -22.606 2.212 14.870 947 HG SER 115 HG SER 115 -22.607 2.623 17.123 948 H SER 116 HN SER 116 -19.800 1.533 12.543 949 HA SER 116 HA SER 116 -21.390 2.882 10.509 950 HB2 SER 116 HB2 SER 116 -18.356 2.940 10.423 951 HB3 SER 116 HB1 SER 116 -19.406 3.393 9.082 952 HG SER 116 HG SER 116 -18.841 4.752 11.440 953 H ASP 117 HN ASP 117 -21.431 1.758 8.458 954 HA ASP 117 HA ASP 117 -20.278 -0.962 8.450 955 HB2 ASP 117 HB2 ASP 117 -22.782 -0.826 9.133 956 HB3 ASP 117 HB1 ASP 117 -23.083 -0.433 7.445 957 H SER 118 HN SER 118 -19.837 -1.847 6.366 958 HA SER 118 HA SER 118 -19.980 0.058 4.104 959 HB2 SER 118 HB2 SER 118 -17.671 -0.137 5.063 960 HB3 SER 118 HB1 SER 118 -17.684 -1.850 4.648 961 HG SER 118 HG SER 118 -17.595 0.397 2.962 962 H GLY 119 HN GLY 119 -19.255 -3.439 4.703 963 HA2 GLY 119 HA2 GLY 119 -21.421 -4.561 3.429 964 HA3 GLY 119 HA1 GLY 119 -20.291 -4.214 2.130 965 H THR 120 HN THR 120 -20.535 -6.648 1.921 966 HA THR 120 HA THR 120 -18.354 -7.961 3.398 967 HB THR 120 HB THR 120 -20.992 -9.385 2.932 968 HG1 THR 120 HG1 THR 120 -21.648 -8.015 4.430 969 HG21 THR 120 HG21 THR 120 -19.080 -10.859 3.335 970 HG22 THR 120 HG22 THR 120 -20.235 -10.907 4.665 971 HG23 THR 120 HG23 THR 120 -18.734 -9.998 4.835 972 H SER 121 HN SER 121 -16.917 -8.536 1.864 973 HA SER 121 HA SER 121 -17.719 -10.197 -0.373 974 HB2 SER 121 HB2 SER 121 -18.048 -7.887 -1.263 975 HB3 SER 121 HB1 SER 121 -16.347 -7.548 -0.951 976 HG SER 121 HG SER 121 -15.794 -8.736 -2.635 977 H VAL 122 HN VAL 122 -16.175 -11.714 -0.740 978 HA VAL 122 HA VAL 122 -13.374 -11.141 0.025 979 HB VAL 122 HB VAL 122 -14.730 -13.804 0.578 980 HG11 VAL 122 HG11 VAL 122 -12.713 -14.210 1.993 981 HG12 VAL 122 HG12 VAL 122 -12.019 -12.715 1.363 982 HG13 VAL 122 HG13 VAL 122 -12.356 -14.060 0.274 983 HG21 VAL 122 HG21 VAL 122 -14.160 -11.556 2.522 984 HG22 VAL 122 HG22 VAL 122 -14.633 -13.192 2.983 985 HG23 VAL 122 HG23 VAL 122 -15.743 -12.184 2.058 986 H SER 123 HN SER 123 -11.807 -11.965 -1.327 987 HA SER 123 HA SER 123 -12.632 -13.692 -3.576 988 HB2 SER 123 HB2 SER 123 -11.203 -12.323 -5.096 989 HB3 SER 123 HB1 SER 123 -12.577 -11.425 -4.456 990 HG SER 123 HG SER 123 -9.868 -11.063 -4.019 991 H GLU 124 HN GLU 124 -11.377 -15.469 -3.710 992 HA GLU 124 HA GLU 124 -8.524 -15.329 -3.086 993 HB2 GLU 124 HB2 GLU 124 -8.596 -17.238 -1.540 994 HB3 GLU 124 HB1 GLU 124 -9.511 -15.876 -0.927 995 HG2 GLU 124 HG2 GLU 124 -11.064 -17.429 -0.463 996 HG3 GLU 124 HG1 GLU 124 -11.496 -17.254 -2.158 997 H ASN 125 HN ASN 125 -7.299 -17.228 -3.778 998 HA ASN 125 HA ASN 125 -8.542 -18.558 -6.103 999 HB2 ASN 125 HB2 ASN 125 -5.649 -18.004 -5.391 1000 HB3 ASN 125 HB1 ASN 125 -6.116 -19.064 -6.718 1001 HD21 ASN 125 HD21 ASN 125 -6.186 -18.109 -8.667 1002 HD22 ASN 125 HD22 ASN 125 -6.463 -16.428 -8.948 1003 H1 13Q 201 HAL 13Q 999 9.019 4.114 0.770 1004 H2 13Q 201 HAJ 13Q 999 7.076 4.684 -0.665 1005 H3 13Q 201 HAI 13Q 999 5.020 1.182 0.735 1006 H4 13Q 201 HAK 13Q 999 6.955 0.620 2.177 1007 H5 13Q 201 HBB 13Q 999 8.925 1.134 2.963 1008 H6 13Q 201 HAZ 13Q 999 12.695 2.581 3.709 1009 H8 13Q 201 HAT 13Q 999 10.682 1.815 4.559 1010 H7 13Q 201 HAU 13Q 999 10.796 3.599 4.957 1011 H9 13Q 201 HBA 13Q 999 9.509 4.104 2.880 1012 H10 13Q 201 HAH 13Q 999 8.931 1.774 5.642 1013 H11 13Q 201 HAM 13Q 999 7.336 4.785 3.025 1014 H12 13Q 201 HAG 13Q 999 5.125 3.567 6.501 1015 H13 13Q 201 HAF 13Q 999 6.932 1.972 7.087 1016 H15 13Q 201 HAV 13Q 999 9.398 0.369 0.348 1017 H14 13Q 201 HAW 13Q 999 11.214 0.210 0.474 1018 H16 13Q 201 HAY 13Q 999 10.441 2.792 -0.534 1019 H18 13Q 201 HAN 13Q 999 12.564 2.065 -1.648 1020 H17 13Q 201 HAO 13Q 999 12.184 0.311 -1.268 1021 H20 13Q 201 HAP 13Q 999 10.025 0.494 -2.591 1022 H19 13Q 201 HAQ 13Q 999 10.394 2.251 -2.962 1023 H22 13Q 201 HAR 13Q 999 11.158 4.971 2.540 1024 H21 13Q 201 HAS 13Q 999 12.883 4.483 2.151 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -3.499 -8.332 -13.588 2 H2 MET 1 HT2 MET 1 -4.171 -6.857 -14.147 3 H3 MET 1 HT3 MET 1 -4.974 -8.340 -14.464 4 HA MET 1 HA MET 1 -4.588 -6.983 -11.873 5 HB2 MET 1 HB2 MET 1 -6.971 -7.583 -13.632 6 HB3 MET 1 HB1 MET 1 -7.164 -7.208 -11.925 7 HG2 MET 1 HG2 MET 1 -5.993 -5.049 -12.325 8 HG3 MET 1 HG1 MET 1 -5.974 -5.424 -14.046 9 HE1 MET 1 HE1 MET 1 -7.134 -2.794 -12.656 10 HE2 MET 1 HE2 MET 1 -8.675 -2.535 -13.471 11 HE3 MET 1 HE3 MET 1 -7.244 -2.958 -14.410 12 H CYS 2 HN CYS 2 -5.780 -9.991 -13.441 13 HA CYS 2 HA CYS 2 -6.152 -11.288 -10.853 14 HB2 CYS 2 HB2 CYS 2 -6.626 -12.219 -13.696 15 HB3 CYS 2 HB1 CYS 2 -6.843 -13.268 -12.301 16 HG CYS 2 HG CYS 2 -8.598 -10.743 -12.794 17 H ASN 3 HN ASN 3 -4.209 -11.706 -9.889 18 HA ASN 3 HA ASN 3 -2.468 -13.703 -11.149 19 HB2 ASN 3 HB2 ASN 3 -1.507 -11.023 -10.112 20 HB3 ASN 3 HB1 ASN 3 -0.433 -12.400 -10.325 21 HD21 ASN 3 HD21 ASN 3 -2.267 -9.911 -11.932 22 HD22 ASN 3 HD22 ASN 3 -1.637 -10.197 -13.514 23 H THR 4 HN THR 4 -2.209 -15.343 -9.729 24 HA THR 4 HA THR 4 -1.929 -14.772 -6.857 25 HB THR 4 HB THR 4 -3.508 -16.690 -6.350 26 HG1 THR 4 HG1 THR 4 -4.354 -16.319 -9.042 27 HG21 THR 4 HG21 THR 4 -4.245 -14.345 -6.100 28 HG22 THR 4 HG22 THR 4 -5.550 -15.453 -6.526 29 HG23 THR 4 HG23 THR 4 -4.856 -14.394 -7.754 30 H ASN 5 HN ASN 5 -1.221 -16.703 -5.588 31 HA ASN 5 HA ASN 5 0.236 -18.345 -5.100 32 HB2 ASN 5 HB2 ASN 5 -0.427 -19.379 -7.876 33 HB3 ASN 5 HB1 ASN 5 0.477 -20.273 -6.660 34 HD21 ASN 5 HD21 ASN 5 -2.668 -19.168 -7.665 35 HD22 ASN 5 HD22 ASN 5 -3.568 -20.054 -6.488 36 H MET 6 HN MET 6 2.017 -16.970 -4.889 37 HA MET 6 HA MET 6 4.129 -17.407 -6.866 38 HB2 MET 6 HB2 MET 6 3.155 -14.660 -6.043 39 HB3 MET 6 HB1 MET 6 4.773 -14.927 -6.680 40 HG2 MET 6 HG2 MET 6 3.719 -15.894 -8.737 41 HG3 MET 6 HG1 MET 6 2.154 -15.399 -8.094 42 HE1 MET 6 HE1 MET 6 5.281 -14.317 -10.105 43 HE2 MET 6 HE2 MET 6 5.770 -13.869 -8.471 44 HE3 MET 6 HE3 MET 6 5.466 -12.617 -9.676 45 H SER 7 HN SER 7 3.579 -15.439 -3.880 46 HA SER 7 HA SER 7 5.345 -17.064 -2.304 47 HB2 SER 7 HB2 SER 7 7.060 -15.272 -1.891 48 HB3 SER 7 HB1 SER 7 7.090 -15.923 -3.530 49 HG SER 7 HG SER 7 7.190 -13.603 -3.440 50 H VAL 8 HN VAL 8 5.447 -16.446 -0.068 51 HA VAL 8 HA VAL 8 3.651 -14.265 0.775 52 HB VAL 8 HB VAL 8 2.878 -15.801 2.689 53 HG11 VAL 8 HG11 VAL 8 1.951 -16.375 -0.126 54 HG12 VAL 8 HG12 VAL 8 1.374 -15.090 0.935 55 HG13 VAL 8 HG13 VAL 8 1.062 -16.774 1.345 56 HG21 VAL 8 HG21 VAL 8 2.841 -18.218 2.227 57 HG22 VAL 8 HG22 VAL 8 4.489 -17.623 2.393 58 HG23 VAL 8 HG23 VAL 8 3.834 -17.963 0.792 59 HA PRO 9 HA PRO 9 7.364 -13.648 3.327 60 HB2 PRO 9 HB2 PRO 9 6.891 -11.125 4.128 61 HB3 PRO 9 HB1 PRO 9 7.358 -11.504 2.468 62 HG2 PRO 9 HG2 PRO 9 4.658 -10.870 3.577 63 HG3 PRO 9 HG1 PRO 9 5.390 -10.369 2.043 64 HD2 PRO 9 HD2 PRO 9 3.589 -12.454 2.339 65 HD3 PRO 9 HD1 PRO 9 4.705 -12.258 0.975 66 H THR 10 HN THR 10 7.882 -13.818 5.505 67 HA THR 10 HA THR 10 5.656 -13.804 7.458 68 HB THR 10 HB THR 10 8.078 -15.621 7.613 69 HG1 THR 10 HG1 THR 10 7.093 -16.482 5.916 70 HG21 THR 10 HG21 THR 10 5.384 -15.894 8.933 71 HG22 THR 10 HG22 THR 10 6.834 -15.279 9.728 72 HG23 THR 10 HG23 THR 10 6.789 -16.941 9.144 73 H ASP 11 HN ASP 11 9.261 -13.646 7.290 74 HA ASP 11 HA ASP 11 9.355 -12.027 9.724 75 HB2 ASP 11 HB2 ASP 11 11.558 -13.139 7.957 76 HB3 ASP 11 HB1 ASP 11 11.851 -12.163 9.392 77 H GLY 12 HN GLY 12 9.792 -11.607 6.223 78 HA2 GLY 12 HA2 GLY 12 10.947 -8.984 6.365 79 HA3 GLY 12 HA1 GLY 12 10.294 -9.766 4.934 80 H ALA 13 HN ALA 13 9.586 -7.689 7.670 81 HA ALA 13 HA ALA 13 7.013 -6.909 6.425 82 HB1 ALA 13 HB1 ALA 13 6.589 -8.120 8.488 83 HB2 ALA 13 HB2 ALA 13 6.167 -6.420 8.681 84 HB3 ALA 13 HB3 ALA 13 7.668 -7.041 9.373 85 H VAL 14 HN VAL 14 6.521 -4.713 6.355 86 HA VAL 14 HA VAL 14 8.803 -2.912 6.622 87 HB VAL 14 HB VAL 14 6.646 -3.115 4.784 88 HG11 VAL 14 HG11 VAL 14 5.271 -1.624 6.119 89 HG12 VAL 14 HG12 VAL 14 5.763 -0.852 4.615 90 HG13 VAL 14 HG13 VAL 14 6.558 -0.416 6.125 91 HG21 VAL 14 HG21 VAL 14 7.883 -1.467 3.507 92 HG22 VAL 14 HG22 VAL 14 8.981 -2.629 4.250 93 HG23 VAL 14 HG23 VAL 14 8.805 -1.017 4.943 94 H THR 15 HN THR 15 8.942 -1.161 7.995 95 HA THR 15 HA THR 15 6.695 -0.539 9.781 96 HB THR 15 HB THR 15 7.990 -2.211 11.005 97 HG1 THR 15 HG1 THR 15 7.337 -0.902 12.530 98 HG21 THR 15 HG21 THR 15 10.257 -1.917 11.712 99 HG22 THR 15 HG22 THR 15 10.372 -0.372 10.869 100 HG23 THR 15 HG23 THR 15 10.205 -1.868 9.950 101 H THR 16 HN THR 16 6.758 1.568 10.714 102 HA THR 16 HA THR 16 8.887 3.366 9.771 103 HB THR 16 HB THR 16 6.282 3.269 8.661 104 HG1 THR 16 HG1 THR 16 7.973 3.899 7.450 105 HG21 THR 16 HG21 THR 16 6.654 5.965 9.936 106 HG22 THR 16 HG22 THR 16 5.505 4.761 10.522 107 HG23 THR 16 HG23 THR 16 5.335 5.424 8.896 108 H SER 17 HN SER 17 8.902 5.499 10.909 109 HA SER 17 HA SER 17 8.569 5.062 13.769 110 HB2 SER 17 HB2 SER 17 9.893 7.329 12.256 111 HB3 SER 17 HB1 SER 17 9.913 7.128 14.010 112 HG SER 17 HG SER 17 11.384 5.625 13.817 113 H GLN 18 HN GLN 18 7.406 7.476 11.363 114 HA GLN 18 HA GLN 18 6.051 9.164 13.153 115 HB2 GLN 18 HB2 GLN 18 5.505 8.610 10.227 116 HB3 GLN 18 HB1 GLN 18 4.711 9.885 11.135 117 HG2 GLN 18 HG2 GLN 18 7.708 9.741 10.917 118 HG3 GLN 18 HG1 GLN 18 6.721 10.489 9.667 119 HE21 GLN 18 HE21 GLN 18 7.948 10.788 12.923 120 HE22 GLN 18 HE22 GLN 18 7.426 12.415 13.176 121 H ILE 19 HN ILE 19 4.423 6.814 10.949 122 HA ILE 19 HA ILE 19 2.293 6.438 12.972 123 HB ILE 19 HB ILE 19 2.066 6.113 9.949 124 HG12 ILE 19 HG12 ILE 19 0.696 8.229 11.643 125 HG13 ILE 19 HG11 ILE 19 2.247 8.514 10.870 126 HG21 ILE 19 HG21 ILE 19 0.574 4.568 11.083 127 HG22 ILE 19 HG22 ILE 19 -0.372 5.878 10.380 128 HG23 ILE 19 HG23 ILE 19 -0.039 5.866 12.111 129 HD11 ILE 19 HD11 ILE 19 0.281 9.398 9.633 130 HD12 ILE 19 HD12 ILE 19 -0.235 7.734 9.363 131 HD13 ILE 19 HD13 ILE 19 1.300 8.302 8.703 132 HA PRO 20 HA PRO 20 4.609 2.415 12.637 133 HB2 PRO 20 HB2 PRO 20 4.460 1.711 15.256 134 HB3 PRO 20 HB1 PRO 20 5.654 2.852 14.637 135 HG2 PRO 20 HG2 PRO 20 3.064 3.390 16.029 136 HG3 PRO 20 HG1 PRO 20 4.649 4.144 16.282 137 HD2 PRO 20 HD2 PRO 20 2.667 5.297 14.820 138 HD3 PRO 20 HD1 PRO 20 4.392 5.568 14.502 139 H ALA 21 HN ALA 21 4.005 0.163 13.755 140 HA ALA 21 HA ALA 21 1.495 -0.633 12.663 141 HB1 ALA 21 HB1 ALA 21 3.414 -2.110 12.623 142 HB2 ALA 21 HB2 ALA 21 2.075 -2.868 13.483 143 HB3 ALA 21 HB3 ALA 21 3.427 -2.180 14.386 144 H SER 22 HN SER 22 2.418 0.381 15.891 145 HA SER 22 HA SER 22 0.482 -0.942 17.443 146 HB2 SER 22 HB2 SER 22 2.437 0.319 18.355 147 HB3 SER 22 HB1 SER 22 1.612 1.826 17.957 148 HG SER 22 HG SER 22 0.945 -0.118 19.886 149 H GLU 23 HN GLU 23 0.245 2.067 15.565 150 HA GLU 23 HA GLU 23 -2.473 2.601 16.482 151 HB2 GLU 23 HB2 GLU 23 -0.649 4.015 14.519 152 HB3 GLU 23 HB1 GLU 23 -2.314 4.505 14.785 153 HG2 GLU 23 HG2 GLU 23 -0.353 4.326 17.058 154 HG3 GLU 23 HG1 GLU 23 -0.451 5.751 16.028 155 H GLN 24 HN GLN 24 -0.821 1.534 13.492 156 HA GLN 24 HA GLN 24 -3.410 1.079 12.185 157 HB2 GLN 24 HB2 GLN 24 -0.596 0.887 11.059 158 HB3 GLN 24 HB1 GLN 24 -2.072 0.660 10.136 159 HG2 GLN 24 HG2 GLN 24 -1.294 3.216 11.536 160 HG3 GLN 24 HG1 GLN 24 -1.034 2.886 9.828 161 HE21 GLN 24 HE21 GLN 24 -2.788 3.024 8.396 162 HE22 GLN 24 HE22 GLN 24 -4.334 3.626 8.875 163 H GLU 25 HN GLU 25 -4.024 -0.672 13.574 164 HA GLU 25 HA GLU 25 -2.919 -3.254 12.703 165 HB2 GLU 25 HB2 GLU 25 -3.089 -4.152 15.014 166 HB3 GLU 25 HB1 GLU 25 -1.871 -2.907 14.845 167 HG2 GLU 25 HG2 GLU 25 -2.765 -1.741 16.498 168 HG3 GLU 25 HG1 GLU 25 -4.312 -1.656 15.665 169 H THR 26 HN THR 26 -5.028 -2.358 11.447 170 HA THR 26 HA THR 26 -7.397 -3.646 12.674 171 HB THR 26 HB THR 26 -7.571 -1.556 10.498 172 HG1 THR 26 HG1 THR 26 -7.391 -1.074 13.295 173 HG21 THR 26 HG21 THR 26 -9.738 -1.050 11.547 174 HG22 THR 26 HG22 THR 26 -9.481 -2.373 12.683 175 HG23 THR 26 HG23 THR 26 -9.641 -2.710 10.959 176 H LEU 27 HN LEU 27 -8.803 -4.853 11.292 177 HA LEU 27 HA LEU 27 -7.416 -6.306 9.193 178 HB2 LEU 27 HB2 LEU 27 -9.033 -7.193 11.078 179 HB3 LEU 27 HB1 LEU 27 -10.296 -6.751 9.960 180 HG LEU 27 HG LEU 27 -9.777 -9.141 9.880 181 HD11 LEU 27 HD11 LEU 27 -9.930 -9.411 7.603 182 HD12 LEU 27 HD12 LEU 27 -8.812 -8.093 7.252 183 HD13 LEU 27 HD13 LEU 27 -10.451 -7.739 7.802 184 HD21 LEU 27 HD21 LEU 27 -7.043 -8.386 8.847 185 HD22 LEU 27 HD22 LEU 27 -7.678 -10.012 9.094 186 HD23 LEU 27 HD23 LEU 27 -7.377 -8.965 10.480 187 H VAL 28 HN VAL 28 -7.714 -6.074 7.010 188 HA VAL 28 HA VAL 28 -9.827 -4.211 6.089 189 HB VAL 28 HB VAL 28 -8.372 -3.713 4.121 190 HG11 VAL 28 HG11 VAL 28 -7.104 -3.078 6.788 191 HG12 VAL 28 HG12 VAL 28 -8.462 -2.219 6.060 192 HG13 VAL 28 HG13 VAL 28 -6.882 -2.186 5.281 193 HG21 VAL 28 HG21 VAL 28 -6.030 -4.288 4.088 194 HG22 VAL 28 HG22 VAL 28 -6.962 -5.777 4.223 195 HG23 VAL 28 HG23 VAL 28 -6.159 -5.109 5.644 196 H ARG 29 HN ARG 29 -10.955 -4.651 4.156 197 HA ARG 29 HA ARG 29 -10.925 -7.488 3.303 198 HB2 ARG 29 HB2 ARG 29 -13.185 -5.474 3.388 199 HB3 ARG 29 HB1 ARG 29 -13.323 -7.060 2.650 200 HG2 ARG 29 HG2 ARG 29 -13.608 -8.097 4.616 201 HG3 ARG 29 HG1 ARG 29 -12.348 -7.160 5.414 202 HD2 ARG 29 HD2 ARG 29 -14.516 -6.753 6.444 203 HD3 ARG 29 HD1 ARG 29 -13.899 -5.289 5.685 204 HE ARG 29 HE ARG 29 -15.680 -6.801 3.995 205 HH11 ARG 29 HH11 ARG 29 -15.628 -4.340 6.550 206 HH12 ARG 29 HH12 ARG 29 -17.142 -3.660 6.066 207 HH21 ARG 29 HH21 ARG 29 -17.660 -5.873 3.397 208 HH22 ARG 29 HH22 ARG 29 -18.293 -4.527 4.282 209 HA PRO 30 HA PRO 30 -10.035 -6.068 -0.857 210 HB2 PRO 30 HB2 PRO 30 -10.814 -8.176 -2.343 211 HB3 PRO 30 HB1 PRO 30 -9.442 -8.264 -1.235 212 HG2 PRO 30 HG2 PRO 30 -12.214 -9.305 -0.902 213 HG3 PRO 30 HG1 PRO 30 -10.675 -10.013 -0.386 214 HD2 PRO 30 HD2 PRO 30 -12.434 -8.603 1.246 215 HD3 PRO 30 HD1 PRO 30 -10.726 -8.920 1.603 216 H LYS 31 HN LYS 31 -11.187 -4.364 -1.617 217 HA LYS 31 HA LYS 31 -13.412 -4.719 -3.324 218 HB2 LYS 31 HB2 LYS 31 -14.665 -4.941 -1.231 219 HB3 LYS 31 HB1 LYS 31 -14.058 -3.401 -0.664 220 HG2 LYS 31 HG2 LYS 31 -15.314 -2.218 -2.352 221 HG3 LYS 31 HG1 LYS 31 -15.782 -3.732 -3.120 222 HD2 LYS 31 HD2 LYS 31 -17.680 -3.115 -1.891 223 HD3 LYS 31 HD1 LYS 31 -16.896 -4.323 -0.878 224 HE2 LYS 31 HE2 LYS 31 -17.449 -2.660 0.645 225 HE3 LYS 31 HE1 LYS 31 -15.769 -2.286 0.277 226 HZ1 LYS 31 HZ1 LYS 31 -17.218 -0.319 0.291 227 HZ2 LYS 31 HZ2 LYS 31 -18.113 -0.962 -0.992 228 HZ3 LYS 31 HZ3 LYS 31 -16.485 -0.555 -1.214 229 HA PRO 32 HA PRO 32 -12.505 0.101 -3.113 230 HB2 PRO 32 HB2 PRO 32 -10.349 0.869 -1.564 231 HB3 PRO 32 HB1 PRO 32 -12.036 0.953 -1.055 232 HG2 PRO 32 HG2 PRO 32 -9.982 -1.136 -0.482 233 HG3 PRO 32 HG1 PRO 32 -11.175 -0.414 0.607 234 HD2 PRO 32 HD2 PRO 32 -11.548 -2.833 -0.432 235 HD3 PRO 32 HD1 PRO 32 -12.901 -1.713 -0.212 236 H LEU 33 HN LEU 33 -10.529 1.532 -3.829 237 HA LEU 33 HA LEU 33 -9.113 0.033 -5.867 238 HB2 LEU 33 HB2 LEU 33 -10.249 2.495 -5.844 239 HB3 LEU 33 HB1 LEU 33 -8.596 2.950 -5.512 240 HG LEU 33 HG LEU 33 -9.130 3.166 -7.878 241 HD11 LEU 33 HD11 LEU 33 -6.826 2.469 -7.110 242 HD12 LEU 33 HD12 LEU 33 -7.219 2.167 -8.800 243 HD13 LEU 33 HD13 LEU 33 -7.244 0.839 -7.641 244 HD21 LEU 33 HD21 LEU 33 -9.450 0.189 -8.124 245 HD22 LEU 33 HD22 LEU 33 -9.851 1.451 -9.286 246 HD23 LEU 33 HD23 LEU 33 -10.833 1.248 -7.837 247 H LEU 34 HN LEU 34 -8.241 1.502 -2.764 248 HA LEU 34 HA LEU 34 -5.494 1.884 -3.159 249 HB2 LEU 34 HB2 LEU 34 -7.027 2.534 -1.153 250 HB3 LEU 34 HB1 LEU 34 -6.559 0.991 -0.488 251 HG LEU 34 HG LEU 34 -5.218 2.725 0.498 252 HD11 LEU 34 HD11 LEU 34 -3.364 1.386 -1.457 253 HD12 LEU 34 HD12 LEU 34 -4.108 0.534 -0.104 254 HD13 LEU 34 HD13 LEU 34 -3.036 1.899 0.198 255 HD21 LEU 34 HD21 LEU 34 -3.771 4.216 -0.769 256 HD22 LEU 34 HD22 LEU 34 -5.457 4.428 -1.240 257 HD23 LEU 34 HD23 LEU 34 -4.356 3.526 -2.282 258 H LEU 35 HN LEU 35 -7.051 -1.038 -1.701 259 HA LEU 35 HA LEU 35 -4.507 -2.436 -1.912 260 HB2 LEU 35 HB2 LEU 35 -5.745 -4.385 -0.818 261 HB3 LEU 35 HB1 LEU 35 -5.391 -2.974 0.136 262 HG LEU 35 HG LEU 35 -7.655 -4.201 0.403 263 HD11 LEU 35 HD11 LEU 35 -7.055 -2.137 1.552 264 HD12 LEU 35 HD12 LEU 35 -8.763 -2.183 1.119 265 HD13 LEU 35 HD13 LEU 35 -7.643 -1.197 0.182 266 HD21 LEU 35 HD21 LEU 35 -9.489 -3.471 -0.949 267 HD22 LEU 35 HD22 LEU 35 -8.274 -4.203 -1.990 268 HD23 LEU 35 HD23 LEU 35 -8.442 -2.450 -1.926 269 H LYS 36 HN LYS 36 -6.145 -1.750 -4.367 270 HA LYS 36 HA LYS 36 -6.718 -4.383 -5.499 271 HB2 LYS 36 HB2 LYS 36 -7.818 -1.856 -5.921 272 HB3 LYS 36 HB1 LYS 36 -6.822 -2.093 -7.347 273 HG2 LYS 36 HG2 LYS 36 -7.997 -4.143 -7.877 274 HG3 LYS 36 HG1 LYS 36 -8.935 -4.019 -6.385 275 HD2 LYS 36 HD2 LYS 36 -9.815 -1.816 -7.241 276 HD3 LYS 36 HD1 LYS 36 -9.027 -2.175 -8.777 277 HE2 LYS 36 HE2 LYS 36 -11.239 -2.861 -9.086 278 HE3 LYS 36 HE1 LYS 36 -10.377 -4.359 -8.748 279 HZ1 LYS 36 HZ1 LYS 36 -11.896 -2.801 -6.717 280 HZ2 LYS 36 HZ2 LYS 36 -11.184 -4.322 -6.502 281 HZ3 LYS 36 HZ3 LYS 36 -12.503 -4.147 -7.544 282 H LEU 37 HN LEU 37 -4.135 -2.081 -5.323 283 HA LEU 37 HA LEU 37 -2.742 -2.697 -7.732 284 HB2 LEU 37 HB2 LEU 37 -2.438 -0.629 -6.354 285 HB3 LEU 37 HB1 LEU 37 -1.645 -1.594 -5.129 286 HG LEU 37 HG LEU 37 -0.513 -1.622 -7.908 287 HD11 LEU 37 HD11 LEU 37 -0.964 0.766 -7.382 288 HD12 LEU 37 HD12 LEU 37 0.745 0.384 -7.578 289 HD13 LEU 37 HD13 LEU 37 0.072 0.608 -5.962 290 HD21 LEU 37 HD21 LEU 37 0.589 -1.927 -5.119 291 HD22 LEU 37 HD22 LEU 37 1.640 -1.633 -6.503 292 HD23 LEU 37 HD23 LEU 37 0.631 -3.073 -6.458 293 H LEU 38 HN LEU 38 -2.423 -3.845 -4.358 294 HA LEU 38 HA LEU 38 -0.250 -5.614 -4.914 295 HB2 LEU 38 HB2 LEU 38 -0.753 -6.569 -2.623 296 HB3 LEU 38 HB1 LEU 38 -0.297 -4.887 -2.714 297 HG LEU 38 HG LEU 38 -3.200 -5.156 -2.775 298 HD11 LEU 38 HD11 LEU 38 -1.780 -6.403 -0.424 299 HD12 LEU 38 HD12 LEU 38 -2.940 -7.172 -1.508 300 HD13 LEU 38 HD13 LEU 38 -3.469 -5.891 -0.419 301 HD21 LEU 38 HD21 LEU 38 -2.016 -3.079 -2.268 302 HD22 LEU 38 HD22 LEU 38 -1.316 -3.816 -0.826 303 HD23 LEU 38 HD23 LEU 38 -3.055 -3.555 -0.929 304 H LYS 39 HN LYS 39 -3.588 -5.961 -5.564 305 HA LYS 39 HA LYS 39 -3.849 -8.786 -5.200 306 HB2 LYS 39 HB2 LYS 39 -5.717 -7.009 -5.416 307 HB3 LYS 39 HB1 LYS 39 -5.469 -7.137 -7.147 308 HG2 LYS 39 HG2 LYS 39 -7.125 -8.664 -6.973 309 HG3 LYS 39 HG1 LYS 39 -5.791 -9.744 -6.590 310 HD2 LYS 39 HD2 LYS 39 -7.270 -10.224 -4.879 311 HD3 LYS 39 HD1 LYS 39 -6.253 -9.006 -4.116 312 HE2 LYS 39 HE2 LYS 39 -8.430 -8.360 -3.558 313 HE3 LYS 39 HE1 LYS 39 -8.020 -7.309 -4.909 314 HZ1 LYS 39 HZ1 LYS 39 -9.659 -9.788 -5.070 315 HZ2 LYS 39 HZ2 LYS 39 -9.260 -8.794 -6.380 316 HZ3 LYS 39 HZ3 LYS 39 -10.246 -8.202 -5.139 317 H SER 40 HN SER 40 -2.477 -6.800 -7.754 318 HA SER 40 HA SER 40 -2.466 -9.005 -9.682 319 HB2 SER 40 HB2 SER 40 -3.075 -6.623 -10.317 320 HB3 SER 40 HB1 SER 40 -1.373 -6.220 -10.107 321 HG SER 40 HG SER 40 -0.859 -7.407 -11.843 322 H VAL 41 HN VAL 41 -0.269 -7.637 -7.338 323 HA VAL 41 HA VAL 41 2.111 -8.474 -8.788 324 HB VAL 41 HB VAL 41 3.441 -7.654 -6.942 325 HG11 VAL 41 HG11 VAL 41 2.925 -5.316 -7.080 326 HG12 VAL 41 HG12 VAL 41 1.259 -5.660 -7.543 327 HG13 VAL 41 HG13 VAL 41 2.582 -6.069 -8.635 328 HG21 VAL 41 HG21 VAL 41 2.292 -6.455 -5.010 329 HG22 VAL 41 HG22 VAL 41 2.265 -8.216 -4.967 330 HG23 VAL 41 HG23 VAL 41 0.833 -7.327 -5.469 331 H GLY 42 HN GLY 42 0.276 -9.643 -5.941 332 HA2 GLY 42 HA2 GLY 42 0.668 -12.310 -6.250 333 HA3 GLY 42 HA1 GLY 42 2.151 -11.807 -5.456 334 H ALA 43 HN ALA 43 -1.354 -11.111 -5.059 335 HA ALA 43 HA ALA 43 -1.099 -11.811 -2.190 336 HB1 ALA 43 HB1 ALA 43 -1.311 -9.384 -2.443 337 HB2 ALA 43 HB2 ALA 43 -2.731 -10.073 -1.657 338 HB3 ALA 43 HB3 ALA 43 -2.804 -9.603 -3.356 339 H GLN 44 HN GLN 44 -1.848 -13.897 -2.441 340 HA GLN 44 HA GLN 44 -4.444 -14.362 -3.723 341 HB2 GLN 44 HB2 GLN 44 -3.908 -16.761 -3.504 342 HB3 GLN 44 HB1 GLN 44 -2.686 -15.866 -4.383 343 HG2 GLN 44 HG2 GLN 44 -1.103 -16.629 -3.034 344 HG3 GLN 44 HG1 GLN 44 -1.904 -15.924 -1.636 345 HE21 GLN 44 HE21 GLN 44 -3.400 -17.247 -0.432 346 HE22 GLN 44 HE22 GLN 44 -3.287 -18.970 -0.508 347 H LYS 45 HN LYS 45 -3.447 -13.598 -0.603 348 HA LYS 45 HA LYS 45 -5.032 -15.396 0.946 349 HB2 LYS 45 HB2 LYS 45 -3.966 -12.640 1.630 350 HB3 LYS 45 HB1 LYS 45 -4.688 -13.749 2.789 351 HG2 LYS 45 HG2 LYS 45 -2.857 -15.392 2.163 352 HG3 LYS 45 HG1 LYS 45 -2.100 -14.068 1.282 353 HD2 LYS 45 HD2 LYS 45 -1.038 -13.639 3.216 354 HD3 LYS 45 HD1 LYS 45 -2.553 -12.894 3.719 355 HE2 LYS 45 HE2 LYS 45 -1.919 -15.811 4.188 356 HE3 LYS 45 HE1 LYS 45 -1.504 -14.542 5.337 357 HZ1 LYS 45 HZ1 LYS 45 -4.232 -15.302 4.435 358 HZ2 LYS 45 HZ2 LYS 45 -3.899 -13.954 5.405 359 HZ3 LYS 45 HZ3 LYS 45 -3.571 -15.511 5.978 360 H ASP 46 HN ASP 46 -7.015 -14.980 2.070 361 HA ASP 46 HA ASP 46 -8.984 -13.597 0.493 362 HB2 ASP 46 HB2 ASP 46 -9.137 -15.081 3.126 363 HB3 ASP 46 HB1 ASP 46 -10.536 -14.279 2.421 364 H THR 47 HN THR 47 -7.537 -13.034 3.724 365 HA THR 47 HA THR 47 -8.515 -10.244 3.603 366 HB THR 47 HB THR 47 -8.692 -10.331 6.112 367 HG1 THR 47 HG1 THR 47 -7.720 -12.044 6.890 368 HG21 THR 47 HG21 THR 47 -10.767 -10.467 4.988 369 HG22 THR 47 HG22 THR 47 -10.772 -11.732 6.216 370 HG23 THR 47 HG23 THR 47 -10.489 -12.147 4.526 371 H TYR 48 HN TYR 48 -7.113 -8.639 4.306 372 HA TYR 48 HA TYR 48 -4.350 -9.467 5.000 373 HB2 TYR 48 HB2 TYR 48 -4.764 -6.842 3.632 374 HB3 TYR 48 HB1 TYR 48 -3.424 -7.971 3.517 375 HD1 TYR 48 HD1 TYR 48 -3.779 -10.105 2.100 376 HD2 TYR 48 HD2 TYR 48 -6.408 -6.749 1.941 377 HE1 TYR 48 HE1 TYR 48 -4.628 -10.872 -0.073 378 HE2 TYR 48 HE2 TYR 48 -7.257 -7.517 -0.234 379 HH TYR 48 HH TYR 48 -7.267 -10.194 -1.371 380 H THR 49 HN THR 49 -3.113 -7.372 5.903 381 HA THR 49 HA THR 49 -4.848 -6.119 7.958 382 HB THR 49 HB THR 49 -2.736 -5.999 9.362 383 HG1 THR 49 HG1 THR 49 -0.951 -6.883 8.666 384 HG21 THR 49 HG21 THR 49 -2.818 -8.221 10.202 385 HG22 THR 49 HG22 THR 49 -3.513 -8.830 8.701 386 HG23 THR 49 HG23 THR 49 -4.456 -7.760 9.740 387 H MET 50 HN MET 50 -3.864 -4.024 8.847 388 HA MET 50 HA MET 50 -3.437 -2.221 6.646 389 HB2 MET 50 HB2 MET 50 -4.742 -1.817 8.859 390 HB3 MET 50 HB1 MET 50 -3.172 -1.449 9.550 391 HG2 MET 50 HG2 MET 50 -4.094 0.620 8.973 392 HG3 MET 50 HG1 MET 50 -2.914 0.283 7.712 393 HE1 MET 50 HE1 MET 50 -5.309 2.129 5.463 394 HE2 MET 50 HE2 MET 50 -3.840 2.163 6.437 395 HE3 MET 50 HE3 MET 50 -5.393 2.568 7.167 396 H LYS 51 HN LYS 51 -1.259 -4.007 8.638 397 HA LYS 51 HA LYS 51 0.981 -2.156 8.321 398 HB2 LYS 51 HB2 LYS 51 0.618 -3.423 10.446 399 HB3 LYS 51 HB1 LYS 51 0.907 -4.920 9.579 400 HG2 LYS 51 HG2 LYS 51 3.057 -2.905 9.335 401 HG3 LYS 51 HG1 LYS 51 2.793 -3.519 10.963 402 HD2 LYS 51 HD2 LYS 51 3.091 -5.385 8.615 403 HD3 LYS 51 HD1 LYS 51 4.497 -4.732 9.449 404 HE2 LYS 51 HE2 LYS 51 4.091 -5.937 11.369 405 HE3 LYS 51 HE1 LYS 51 2.355 -6.022 11.086 406 HZ1 LYS 51 HZ1 LYS 51 3.496 -8.170 10.812 407 HZ2 LYS 51 HZ2 LYS 51 4.380 -7.534 9.519 408 HZ3 LYS 51 HZ3 LYS 51 2.698 -7.677 9.404 409 H GLU 52 HN GLU 52 -0.071 -5.356 7.138 410 HA GLU 52 HA GLU 52 2.293 -5.846 5.575 411 HB2 GLU 52 HB2 GLU 52 -0.418 -7.189 5.637 412 HB3 GLU 52 HB1 GLU 52 0.901 -7.736 4.612 413 HG2 GLU 52 HG2 GLU 52 2.273 -8.160 6.588 414 HG3 GLU 52 HG1 GLU 52 0.966 -7.589 7.624 415 H VAL 53 HN VAL 53 -0.688 -4.119 4.945 416 HA VAL 53 HA VAL 53 -0.824 -4.401 2.149 417 HB VAL 53 HB VAL 53 -2.644 -3.526 3.651 418 HG11 VAL 53 HG11 VAL 53 -1.156 -1.795 4.772 419 HG12 VAL 53 HG12 VAL 53 -2.792 -1.296 4.344 420 HG13 VAL 53 HG13 VAL 53 -1.428 -0.797 3.343 421 HG21 VAL 53 HG21 VAL 53 -2.911 -3.467 1.256 422 HG22 VAL 53 HG22 VAL 53 -2.047 -1.933 1.159 423 HG23 VAL 53 HG23 VAL 53 -3.614 -2.015 1.964 424 H LEU 54 HN LEU 54 1.191 -2.251 4.111 425 HA LEU 54 HA LEU 54 1.980 -0.572 1.894 426 HB2 LEU 54 HB2 LEU 54 2.634 -0.717 4.794 427 HB3 LEU 54 HB1 LEU 54 3.881 -0.049 3.768 428 HG LEU 54 HG LEU 54 2.411 1.652 4.837 429 HD11 LEU 54 HD11 LEU 54 3.656 2.246 2.855 430 HD12 LEU 54 HD12 LEU 54 2.078 3.030 2.829 431 HD13 LEU 54 HD13 LEU 54 2.376 1.615 1.819 432 HD21 LEU 54 HD21 LEU 54 0.249 0.734 2.941 433 HD22 LEU 54 HD22 LEU 54 0.153 1.999 4.167 434 HD23 LEU 54 HD23 LEU 54 0.294 0.309 4.653 435 H PHE 55 HN PHE 55 3.203 -3.571 3.322 436 HA PHE 55 HA PHE 55 5.839 -3.437 2.218 437 HB2 PHE 55 HB2 PHE 55 5.224 -4.905 4.148 438 HB3 PHE 55 HB1 PHE 55 4.281 -5.912 3.060 439 HD1 PHE 55 HD1 PHE 55 7.724 -4.827 3.922 440 HD2 PHE 55 HD2 PHE 55 5.336 -7.567 1.691 441 HE1 PHE 55 HE1 PHE 55 9.716 -6.188 3.452 442 HE2 PHE 55 HE2 PHE 55 7.333 -8.923 1.224 443 HZ PHE 55 HZ PHE 55 9.523 -8.230 2.103 444 H TYR 56 HN TYR 56 2.762 -4.871 1.053 445 HA TYR 56 HA TYR 56 3.897 -6.068 -1.291 446 HB2 TYR 56 HB2 TYR 56 1.012 -5.360 -0.665 447 HB3 TYR 56 HB1 TYR 56 1.525 -6.269 -2.079 448 HD1 TYR 56 HD2 TYR 56 3.046 -8.419 -1.478 449 HD2 TYR 56 HD1 TYR 56 0.245 -6.576 1.157 450 HE1 TYR 56 HE2 TYR 56 2.864 -10.512 -0.206 451 HE2 TYR 56 HE1 TYR 56 0.062 -8.668 2.428 452 HH TYR 56 HH TYR 56 1.956 -10.881 2.638 453 H LEU 57 HN LEU 57 2.350 -2.922 -0.630 454 HA LEU 57 HA LEU 57 2.237 -2.029 -3.336 455 HB2 LEU 57 HB2 LEU 57 1.216 -1.083 -0.986 456 HB3 LEU 57 HB1 LEU 57 2.533 0.047 -1.225 457 HG LEU 57 HG LEU 57 0.452 -0.481 -3.356 458 HD11 LEU 57 HD11 LEU 57 -0.720 0.272 -1.357 459 HD12 LEU 57 HD12 LEU 57 -0.721 1.527 -2.594 460 HD13 LEU 57 HD13 LEU 57 0.374 1.651 -1.218 461 HD21 LEU 57 HD21 LEU 57 2.376 1.810 -2.907 462 HD22 LEU 57 HD22 LEU 57 1.150 1.746 -4.173 463 HD23 LEU 57 HD23 LEU 57 2.474 0.585 -4.174 464 H GLY 58 HN GLY 58 4.676 -1.650 -0.755 465 HA2 GLY 58 HA2 GLY 58 6.432 0.089 -2.157 466 HA3 GLY 58 HA1 GLY 58 6.842 -0.902 -0.768 467 H GLN 59 HN GLN 59 6.035 -3.413 -2.236 468 HA GLN 59 HA GLN 59 8.588 -4.028 -3.381 469 HB2 GLN 59 HB2 GLN 59 7.007 -5.583 -2.070 470 HB3 GLN 59 HB1 GLN 59 6.123 -5.764 -3.574 471 HG2 GLN 59 HG2 GLN 59 7.557 -7.629 -3.391 472 HG3 GLN 59 HG1 GLN 59 8.254 -6.585 -4.624 473 HE21 GLN 59 HE21 GLN 59 10.424 -6.567 -4.498 474 HE22 GLN 59 HE22 GLN 59 11.348 -6.603 -3.040 475 H TYR 60 HN TYR 60 5.603 -2.862 -4.762 476 HA TYR 60 HA TYR 60 6.038 -3.886 -7.422 477 HB2 TYR 60 HB2 TYR 60 3.778 -3.460 -6.535 478 HB3 TYR 60 HB1 TYR 60 4.131 -1.746 -6.431 479 HD1 TYR 60 HD2 TYR 60 4.241 -4.465 -9.039 480 HD2 TYR 60 HD1 TYR 60 3.227 -0.425 -8.122 481 HE1 TYR 60 HE2 TYR 60 3.366 -4.167 -11.314 482 HE2 TYR 60 HE1 TYR 60 2.348 -0.127 -10.396 483 HH TYR 60 HH TYR 60 1.375 -2.199 -12.283 484 H ILE 61 HN ILE 61 6.572 -0.721 -5.828 485 HA ILE 61 HA ILE 61 7.346 0.591 -8.257 486 HB ILE 61 HB ILE 61 7.923 2.521 -6.933 487 HG12 ILE 61 HG12 ILE 61 7.310 2.015 -4.269 488 HG13 ILE 61 HG11 ILE 61 8.195 0.570 -4.726 489 HG21 ILE 61 HG21 ILE 61 5.795 3.009 -5.944 490 HG22 ILE 61 HG22 ILE 61 5.427 1.293 -5.769 491 HG23 ILE 61 HG23 ILE 61 5.538 2.010 -7.375 492 HD11 ILE 61 HD11 ILE 61 9.690 2.722 -5.725 493 HD12 ILE 61 HD12 ILE 61 10.062 1.684 -4.350 494 HD13 ILE 61 HD13 ILE 61 9.168 3.182 -4.105 495 H MET 62 HN MET 62 9.149 -1.237 -5.850 496 HA MET 62 HA MET 62 11.723 -0.234 -6.749 497 HB2 MET 62 HB2 MET 62 12.710 -1.833 -5.136 498 HB3 MET 62 HB1 MET 62 11.562 -0.724 -4.409 499 HG2 MET 62 HG2 MET 62 9.861 -2.549 -4.467 500 HG3 MET 62 HG1 MET 62 11.114 -3.640 -5.040 501 HE1 MET 62 HE1 MET 62 13.689 -3.289 -3.394 502 HE2 MET 62 HE2 MET 62 12.799 -4.794 -3.626 503 HE3 MET 62 HE3 MET 62 13.309 -4.311 -2.008 504 H THR 63 HN THR 63 9.811 -3.217 -7.219 505 HA THR 63 HA THR 63 11.897 -4.637 -8.580 506 HB THR 63 HB THR 63 9.963 -5.752 -7.444 507 HG1 THR 63 HG1 THR 63 10.476 -7.363 -8.662 508 HG21 THR 63 HG21 THR 63 8.167 -4.248 -8.478 509 HG22 THR 63 HG22 THR 63 7.840 -5.978 -8.385 510 HG23 THR 63 HG23 THR 63 8.336 -5.258 -9.915 511 H LYS 64 HN LYS 64 9.321 -2.462 -9.682 512 HA LYS 64 HA LYS 64 9.782 -3.008 -12.497 513 HB2 LYS 64 HB2 LYS 64 8.046 -0.945 -11.114 514 HB3 LYS 64 HB1 LYS 64 8.123 -1.155 -12.857 515 HG2 LYS 64 HG2 LYS 64 7.344 -3.415 -11.023 516 HG3 LYS 64 HG1 LYS 64 6.171 -2.234 -11.595 517 HD2 LYS 64 HD2 LYS 64 7.923 -3.713 -13.547 518 HD3 LYS 64 HD1 LYS 64 6.473 -4.471 -12.892 519 HE2 LYS 64 HE2 LYS 64 5.101 -2.653 -13.758 520 HE3 LYS 64 HE1 LYS 64 6.539 -1.826 -14.357 521 HZ1 LYS 64 HZ1 LYS 64 5.548 -2.955 -16.174 522 HZ2 LYS 64 HZ2 LYS 64 5.417 -4.405 -15.311 523 HZ3 LYS 64 HZ3 LYS 64 6.941 -3.829 -15.773 524 H ARG 65 HN ARG 65 11.414 -1.090 -10.216 525 HA ARG 65 HA ARG 65 13.023 0.475 -10.310 526 HB2 ARG 65 HB2 ARG 65 13.068 -0.215 -13.261 527 HB3 ARG 65 HB1 ARG 65 14.237 0.836 -12.480 528 HG2 ARG 65 HG2 ARG 65 15.268 -0.880 -11.365 529 HG3 ARG 65 HG1 ARG 65 13.835 -1.906 -11.375 530 HD2 ARG 65 HD2 ARG 65 14.139 -2.489 -13.643 531 HD3 ARG 65 HD1 ARG 65 15.330 -1.217 -13.900 532 HE ARG 65 HE ARG 65 15.756 -3.824 -12.710 533 HH11 ARG 65 HH11 ARG 65 17.162 -0.600 -13.154 534 HH12 ARG 65 HH12 ARG 65 18.777 -1.152 -12.876 535 HH21 ARG 65 HH21 ARG 65 17.889 -4.503 -12.337 536 HH22 ARG 65 HH22 ARG 65 19.191 -3.362 -12.415 537 H LEU 66 HN LEU 66 11.107 1.854 -9.734 538 HA LEU 66 HA LEU 66 10.445 3.841 -11.805 539 HB2 LEU 66 HB2 LEU 66 9.198 3.543 -9.065 540 HB3 LEU 66 HB1 LEU 66 8.629 4.554 -10.376 541 HG LEU 66 HG LEU 66 8.563 1.529 -10.260 542 HD11 LEU 66 HD11 LEU 66 6.207 1.714 -10.150 543 HD12 LEU 66 HD12 LEU 66 6.249 3.445 -10.486 544 HD13 LEU 66 HD13 LEU 66 6.850 2.831 -8.948 545 HD21 LEU 66 HD21 LEU 66 7.716 3.344 -12.526 546 HD22 LEU 66 HD22 LEU 66 7.381 1.614 -12.425 547 HD23 LEU 66 HD23 LEU 66 9.044 2.182 -12.553 548 H TYR 67 HN TYR 67 11.777 3.585 -8.492 549 HA TYR 67 HA TYR 67 12.607 6.404 -8.616 550 HB2 TYR 67 HB2 TYR 67 12.681 6.462 -6.289 551 HB3 TYR 67 HB1 TYR 67 11.316 5.411 -6.601 552 HD1 TYR 67 HD1 TYR 67 11.787 2.825 -6.478 553 HD2 TYR 67 HD2 TYR 67 14.358 5.786 -4.797 554 HE1 TYR 67 HE1 TYR 67 12.753 1.140 -4.977 555 HE2 TYR 67 HE2 TYR 67 15.325 4.097 -3.298 556 HH TYR 67 HH TYR 67 15.407 1.170 -3.618 557 H ASP 68 HN ASP 68 14.630 6.883 -9.228 558 HA ASP 68 HA ASP 68 16.855 5.112 -8.511 559 HB2 ASP 68 HB2 ASP 68 15.930 4.565 -10.869 560 HB3 ASP 68 HB1 ASP 68 16.617 6.107 -11.363 561 H GLU 69 HN GLU 69 17.675 6.657 -7.107 562 HA GLU 69 HA GLU 69 19.144 8.854 -8.310 563 HB2 GLU 69 HB2 GLU 69 16.718 9.640 -7.644 564 HB3 GLU 69 HB1 GLU 69 17.341 9.598 -6.006 565 HG2 GLU 69 HG2 GLU 69 17.604 11.813 -6.652 566 HG3 GLU 69 HG1 GLU 69 19.212 11.130 -6.865 567 H LYS 70 HN LYS 70 20.876 9.618 -6.979 568 HA LYS 70 HA LYS 70 21.943 7.729 -5.137 569 HB2 LYS 70 HB2 LYS 70 22.776 10.587 -5.711 570 HB3 LYS 70 HB1 LYS 70 23.684 9.496 -4.677 571 HG2 LYS 70 HG2 LYS 70 23.108 9.021 -7.603 572 HG3 LYS 70 HG1 LYS 70 24.603 9.700 -6.961 573 HD2 LYS 70 HD2 LYS 70 24.664 7.497 -5.531 574 HD3 LYS 70 HD1 LYS 70 23.538 6.899 -6.750 575 HE2 LYS 70 HE2 LYS 70 25.580 6.232 -7.609 576 HE3 LYS 70 HE1 LYS 70 25.316 7.756 -8.451 577 HZ1 LYS 70 HZ1 LYS 70 26.762 8.850 -6.833 578 HZ2 LYS 70 HZ2 LYS 70 27.576 7.593 -7.618 579 HZ3 LYS 70 HZ3 LYS 70 27.017 7.378 -6.036 580 H GLN 71 HN GLN 71 20.411 10.924 -4.662 581 HA GLN 71 HA GLN 71 20.268 10.425 -1.752 582 HB2 GLN 71 HB2 GLN 71 19.937 12.995 -3.335 583 HB3 GLN 71 HB1 GLN 71 19.677 12.859 -1.600 584 HG2 GLN 71 HG2 GLN 71 22.042 12.179 -1.331 585 HG3 GLN 71 HG1 GLN 71 22.281 12.416 -3.061 586 HE21 GLN 71 HE21 GLN 71 21.845 14.634 -3.899 587 HE22 GLN 71 HE22 GLN 71 22.222 15.971 -2.874 588 H GLN 72 HN GLN 72 18.428 9.347 -1.263 589 HA GLN 72 HA GLN 72 16.075 9.386 -2.872 590 HB2 GLN 72 HB2 GLN 72 16.628 8.298 -0.103 591 HB3 GLN 72 HB1 GLN 72 15.048 8.172 -0.857 592 HG2 GLN 72 HG2 GLN 72 15.918 6.146 -1.424 593 HG3 GLN 72 HG1 GLN 72 16.404 7.085 -2.830 594 HE21 GLN 72 HE21 GLN 72 17.483 5.116 -0.251 595 HE22 GLN 72 HE22 GLN 72 19.179 5.328 -0.495 596 H HIS 73 HN HIS 73 14.768 11.101 -3.070 597 HA HIS 73 HA HIS 73 13.811 12.458 -0.644 598 HB2 HIS 73 HB2 HIS 73 14.051 14.668 -1.603 599 HB3 HIS 73 HB1 HIS 73 15.612 13.866 -1.580 600 HD1 HIS 73 HD1 HIS 73 16.410 12.897 -3.995 601 HD2 HIS 73 HD2 HIS 73 13.329 15.687 -4.021 602 HE1 HIS 73 HE1 HIS 73 16.300 13.760 -6.354 603 HE2 HIS 73 HE2 HIS 73 14.526 15.547 -6.305 604 H ILE 74 HN ILE 74 13.263 11.925 -4.155 605 HA ILE 74 HA ILE 74 10.369 11.972 -3.631 606 HB ILE 74 HB ILE 74 11.201 14.185 -4.577 607 HG12 ILE 74 HG12 ILE 74 9.190 12.975 -6.469 608 HG13 ILE 74 HG11 ILE 74 8.806 13.138 -4.762 609 HG21 ILE 74 HG21 ILE 74 11.786 14.428 -6.860 610 HG22 ILE 74 HG22 ILE 74 11.420 12.739 -7.212 611 HG23 ILE 74 HG23 ILE 74 12.810 13.150 -6.207 612 HD11 ILE 74 HD11 ILE 74 7.927 15.009 -5.972 613 HD12 ILE 74 HD12 ILE 74 9.516 15.366 -6.650 614 HD13 ILE 74 HD13 ILE 74 9.232 15.557 -4.919 615 H VAL 75 HN VAL 75 9.101 10.600 -4.924 616 HA VAL 75 HA VAL 75 10.578 8.713 -6.666 617 HB VAL 75 HB VAL 75 9.927 7.510 -4.700 618 HG11 VAL 75 HG11 VAL 75 7.146 8.603 -5.075 619 HG12 VAL 75 HG12 VAL 75 8.247 8.870 -3.723 620 HG13 VAL 75 HG13 VAL 75 7.547 7.275 -3.984 621 HG21 VAL 75 HG21 VAL 75 7.812 6.673 -6.669 622 HG22 VAL 75 HG22 VAL 75 8.802 5.673 -5.606 623 HG23 VAL 75 HG23 VAL 75 9.530 6.457 -7.007 624 H TYR 76 HN TYR 76 9.727 8.170 -8.654 625 HA TYR 76 HA TYR 76 7.371 9.715 -9.572 626 HB2 TYR 76 HB2 TYR 76 9.655 8.614 -11.242 627 HB3 TYR 76 HB1 TYR 76 8.343 9.633 -11.815 628 HD1 TYR 76 HD2 TYR 76 8.306 12.045 -11.268 629 HD2 TYR 76 HD1 TYR 76 11.547 9.559 -10.048 630 HE1 TYR 76 HE2 TYR 76 9.671 14.040 -10.831 631 HE2 TYR 76 HE1 TYR 76 12.916 11.550 -9.613 632 HH TYR 76 HH TYR 76 11.843 14.465 -9.147 633 H CYS 77 HN CYS 77 6.383 8.621 -11.668 634 HA CYS 77 HA CYS 77 6.071 5.711 -11.256 635 HB2 CYS 77 HB2 CYS 77 3.662 5.920 -11.770 636 HB3 CYS 77 HB1 CYS 77 4.102 6.793 -10.312 637 HG CYS 77 HG CYS 77 2.456 8.195 -11.856 638 H SER 78 HN SER 78 5.278 4.521 -13.181 639 HA SER 78 HA SER 78 6.214 5.774 -15.695 640 HB2 SER 78 HB2 SER 78 6.422 2.960 -14.648 641 HB3 SER 78 HB1 SER 78 6.438 3.247 -16.387 642 HG SER 78 HG SER 78 8.264 4.172 -14.438 643 H ASN 79 HN ASN 79 3.746 6.542 -15.228 644 HA ASN 79 HA ASN 79 1.567 6.569 -15.869 645 HB2 ASN 79 HB2 ASN 79 2.801 5.259 -18.310 646 HB3 ASN 79 HB1 ASN 79 1.182 5.950 -18.269 647 HD21 ASN 79 HD21 ASN 79 4.626 6.682 -18.118 648 HD22 ASN 79 HD22 ASN 79 4.464 8.358 -18.501 649 H ASP 80 HN ASP 80 1.534 4.741 -14.045 650 HA ASP 80 HA ASP 80 0.021 2.444 -15.142 651 HB2 ASP 80 HB2 ASP 80 2.429 2.419 -13.568 652 HB3 ASP 80 HB1 ASP 80 1.137 1.762 -12.572 653 H LEU 81 HN LEU 81 -1.054 1.388 -12.828 654 HA LEU 81 HA LEU 81 -3.183 3.176 -12.297 655 HB2 LEU 81 HB2 LEU 81 -3.892 1.471 -10.532 656 HB3 LEU 81 HB1 LEU 81 -3.889 0.990 -12.203 657 HG LEU 81 HG LEU 81 -3.062 -0.606 -10.278 658 HD11 LEU 81 HD11 LEU 81 -1.532 -0.536 -12.868 659 HD12 LEU 81 HD12 LEU 81 -3.185 -1.120 -12.696 660 HD13 LEU 81 HD13 LEU 81 -1.872 -1.931 -11.846 661 HD21 LEU 81 HD21 LEU 81 -1.299 0.918 -9.447 662 HD22 LEU 81 HD22 LEU 81 -0.428 0.702 -10.962 663 HD23 LEU 81 HD23 LEU 81 -0.700 -0.675 -9.897 664 H LEU 82 HN LEU 82 -0.106 3.098 -10.796 665 HA LEU 82 HA LEU 82 -0.601 3.685 -8.123 666 HB2 LEU 82 HB2 LEU 82 1.644 3.420 -9.526 667 HB3 LEU 82 HB1 LEU 82 1.586 5.165 -9.564 668 HG LEU 82 HG LEU 82 3.066 4.441 -7.807 669 HD11 LEU 82 HD11 LEU 82 1.614 6.443 -7.403 670 HD12 LEU 82 HD12 LEU 82 2.255 5.671 -5.955 671 HD13 LEU 82 HD13 LEU 82 0.576 5.408 -6.420 672 HD21 LEU 82 HD21 LEU 82 2.109 2.199 -7.445 673 HD22 LEU 82 HD22 LEU 82 0.761 2.932 -6.571 674 HD23 LEU 82 HD23 LEU 82 2.402 3.066 -5.938 675 H GLY 83 HN GLY 83 -0.529 5.989 -10.885 676 HA2 GLY 83 HA2 GLY 83 -0.974 8.331 -9.314 677 HA3 GLY 83 HA1 GLY 83 -1.159 8.194 -11.052 678 H ASP 84 HN ASP 84 -3.200 5.882 -10.401 679 HA ASP 84 HA ASP 84 -5.532 7.537 -10.552 680 HB2 ASP 84 HB2 ASP 84 -5.126 5.216 -11.642 681 HB3 ASP 84 HB1 ASP 84 -5.600 4.550 -10.084 682 H LEU 85 HN LEU 85 -4.143 5.473 -7.974 683 HA LEU 85 HA LEU 85 -6.366 6.061 -6.186 684 HB2 LEU 85 HB2 LEU 85 -4.791 4.804 -4.479 685 HB3 LEU 85 HB1 LEU 85 -5.768 3.944 -5.640 686 HG LEU 85 HG LEU 85 -2.961 4.556 -6.462 687 HD11 LEU 85 HD11 LEU 85 -3.599 2.419 -4.427 688 HD12 LEU 85 HD12 LEU 85 -2.640 3.870 -4.144 689 HD13 LEU 85 HD13 LEU 85 -2.056 2.637 -5.258 690 HD21 LEU 85 HD21 LEU 85 -4.587 3.325 -7.906 691 HD22 LEU 85 HD22 LEU 85 -4.610 2.033 -6.703 692 HD23 LEU 85 HD23 LEU 85 -3.113 2.422 -7.554 693 H PHE 86 HN PHE 86 -2.813 6.665 -6.051 694 HA PHE 86 HA PHE 86 -2.884 8.338 -3.785 695 HB2 PHE 86 HB2 PHE 86 -0.889 7.783 -5.934 696 HB3 PHE 86 HB1 PHE 86 -0.657 9.259 -5.010 697 HD1 PHE 86 HD1 PHE 86 -1.790 5.834 -3.953 698 HD2 PHE 86 HD2 PHE 86 1.136 8.919 -3.582 699 HE1 PHE 86 HE1 PHE 86 -0.658 4.553 -2.192 700 HE2 PHE 86 HE2 PHE 86 2.264 7.629 -1.823 701 HZ PHE 86 HZ PHE 86 1.371 5.448 -1.123 702 H GLY 87 HN GLY 87 -3.215 9.164 -7.245 703 HA2 GLY 87 HA2 GLY 87 -4.207 11.017 -8.207 704 HA3 GLY 87 HA1 GLY 87 -4.551 11.635 -6.601 705 H VAL 88 HN VAL 88 -1.275 10.786 -7.635 706 HA VAL 88 HA VAL 88 -0.537 13.453 -8.402 707 HB VAL 88 HB VAL 88 -0.630 13.754 -5.961 708 HG11 VAL 88 HG11 VAL 88 1.547 11.678 -5.717 709 HG12 VAL 88 HG12 VAL 88 -0.146 11.425 -5.292 710 HG13 VAL 88 HG13 VAL 88 0.814 12.613 -4.413 711 HG21 VAL 88 HG21 VAL 88 2.227 13.811 -6.940 712 HG22 VAL 88 HG22 VAL 88 1.552 14.747 -5.606 713 HG23 VAL 88 HG23 VAL 88 1.009 15.048 -7.256 714 HA PRO 89 HA PRO 89 2.349 10.732 -10.554 715 HB2 PRO 89 HB2 PRO 89 3.860 12.613 -11.831 716 HB3 PRO 89 HB1 PRO 89 2.237 12.147 -12.349 717 HG2 PRO 89 HG2 PRO 89 3.103 14.516 -10.740 718 HG3 PRO 89 HG1 PRO 89 1.931 14.429 -12.067 719 HD2 PRO 89 HD2 PRO 89 1.192 14.512 -9.462 720 HD3 PRO 89 HD1 PRO 89 0.248 13.658 -10.697 721 H SER 90 HN SER 90 3.755 13.552 -8.795 722 HA SER 90 HA SER 90 6.038 11.834 -8.020 723 HB2 SER 90 HB2 SER 90 7.400 13.913 -7.901 724 HB3 SER 90 HB1 SER 90 6.816 13.570 -9.526 725 HG SER 90 HG SER 90 6.590 15.803 -8.772 726 H PHE 91 HN PHE 91 6.117 11.374 -5.902 727 HA PHE 91 HA PHE 91 5.224 13.374 -3.934 728 HB2 PHE 91 HB2 PHE 91 4.113 11.555 -2.600 729 HB3 PHE 91 HB1 PHE 91 3.308 11.941 -4.110 730 HD1 PHE 91 HD1 PHE 91 3.335 10.345 -5.992 731 HD2 PHE 91 HD2 PHE 91 5.119 9.376 -2.241 732 HE1 PHE 91 HE1 PHE 91 3.364 7.968 -6.616 733 HE2 PHE 91 HE2 PHE 91 5.150 7.003 -2.871 734 HZ PHE 91 HZ PHE 91 4.276 6.297 -5.059 735 H SER 92 HN SER 92 6.061 12.995 -1.733 736 HA SER 92 HA SER 92 8.836 12.338 -1.786 737 HB2 SER 92 HB2 SER 92 7.002 12.964 0.545 738 HB3 SER 92 HB1 SER 92 8.754 12.808 0.673 739 HG SER 92 HG SER 92 9.010 14.678 -0.322 740 H VAL 93 HN VAL 93 9.994 10.673 -0.767 741 HA VAL 93 HA VAL 93 8.466 8.200 -0.301 742 HB VAL 93 HB VAL 93 10.266 8.243 -2.076 743 HG11 VAL 93 HG11 VAL 93 11.921 9.587 -0.754 744 HG12 VAL 93 HG12 VAL 93 12.577 8.151 -1.538 745 HG13 VAL 93 HG13 VAL 93 12.246 8.135 0.194 746 HG21 VAL 93 HG21 VAL 93 11.102 6.016 -1.583 747 HG22 VAL 93 HG22 VAL 93 9.403 6.150 -1.131 748 HG23 VAL 93 HG23 VAL 93 10.652 6.197 0.114 749 H LYS 94 HN LYS 94 10.892 10.316 1.256 750 HA LYS 94 HA LYS 94 11.188 8.607 3.563 751 HB2 LYS 94 HB2 LYS 94 12.611 10.341 4.492 752 HB3 LYS 94 HB1 LYS 94 13.052 10.014 2.828 753 HG2 LYS 94 HG2 LYS 94 11.278 12.143 2.616 754 HG3 LYS 94 HG1 LYS 94 12.174 12.498 4.089 755 HD2 LYS 94 HD2 LYS 94 13.514 11.794 1.472 756 HD3 LYS 94 HD1 LYS 94 13.122 13.449 1.928 757 HE2 LYS 94 HE2 LYS 94 14.795 11.666 3.690 758 HE3 LYS 94 HE1 LYS 94 15.500 12.609 2.382 759 HZ1 LYS 94 HZ1 LYS 94 14.583 14.619 3.429 760 HZ2 LYS 94 HZ2 LYS 94 15.675 13.811 4.435 761 HZ3 LYS 94 HZ3 LYS 94 14.013 13.683 4.721 762 H GLU 95 HN GLU 95 9.136 11.382 2.760 763 HA GLU 95 HA GLU 95 8.254 11.829 5.483 764 HB2 GLU 95 HB2 GLU 95 7.218 12.851 2.820 765 HB3 GLU 95 HB1 GLU 95 6.513 13.306 4.362 766 HG2 GLU 95 HG2 GLU 95 9.420 13.768 3.733 767 HG3 GLU 95 HG1 GLU 95 8.164 14.916 3.284 768 H HIS 96 HN HIS 96 7.089 10.268 6.468 769 HA HIS 96 HA HIS 96 5.376 8.458 4.974 770 HB2 HIS 96 HB2 HIS 96 5.672 8.532 7.984 771 HB3 HIS 96 HB1 HIS 96 5.192 7.175 6.974 772 HD1 HIS 96 HD1 HIS 96 7.898 8.022 8.956 773 HD2 HIS 96 HD2 HIS 96 7.642 6.806 4.989 774 HE1 HIS 96 HE1 HIS 96 10.174 7.127 8.375 775 HE2 HIS 96 HE2 HIS 96 10.029 6.526 5.935 776 H ARG 97 HN ARG 97 4.897 10.980 7.463 777 HA ARG 97 HA ARG 97 2.125 10.670 7.838 778 HB2 ARG 97 HB2 ARG 97 3.591 11.927 9.362 779 HB3 ARG 97 HB1 ARG 97 3.823 13.161 8.139 780 HG2 ARG 97 HG2 ARG 97 2.286 14.010 9.728 781 HG3 ARG 97 HG1 ARG 97 1.366 13.652 8.273 782 HD2 ARG 97 HD2 ARG 97 0.235 11.913 9.253 783 HD3 ARG 97 HD1 ARG 97 1.533 11.546 10.385 784 HE ARG 97 HE ARG 97 0.864 13.670 11.549 785 HH11 ARG 97 HH11 ARG 97 -1.607 11.842 9.755 786 HH12 ARG 97 HH12 ARG 97 -2.900 12.489 10.698 787 HH21 ARG 97 HH21 ARG 97 -0.886 14.474 12.747 788 HH22 ARG 97 HH22 ARG 97 -2.500 13.967 12.377 789 H LYS 98 HN LYS 98 3.851 12.312 5.233 790 HA LYS 98 HA LYS 98 1.634 13.896 4.341 791 HB2 LYS 98 HB2 LYS 98 4.181 14.269 3.933 792 HB3 LYS 98 HB1 LYS 98 3.973 13.173 2.579 793 HG2 LYS 98 HG2 LYS 98 3.384 14.927 1.342 794 HG3 LYS 98 HG1 LYS 98 1.901 15.035 2.287 795 HD2 LYS 98 HD2 LYS 98 3.047 16.545 3.876 796 HD3 LYS 98 HD1 LYS 98 4.508 16.455 2.894 797 HE2 LYS 98 HE2 LYS 98 1.857 17.454 1.843 798 HE3 LYS 98 HE1 LYS 98 3.080 18.505 2.552 799 HZ1 LYS 98 HZ1 LYS 98 4.641 17.714 0.828 800 HZ2 LYS 98 HZ2 LYS 98 3.303 18.524 0.186 801 HZ3 LYS 98 HZ3 LYS 98 3.382 16.837 0.110 802 H ILE 99 HN ILE 99 2.834 10.655 3.419 803 HA ILE 99 HA ILE 99 0.805 10.510 1.287 804 HB ILE 99 HB ILE 99 1.929 8.380 0.596 805 HG12 ILE 99 HG12 ILE 99 4.259 9.210 2.341 806 HG13 ILE 99 HG11 ILE 99 3.057 8.065 2.914 807 HG21 ILE 99 HG21 ILE 99 2.345 10.625 -0.419 808 HG22 ILE 99 HG22 ILE 99 3.655 9.465 -0.615 809 HG23 ILE 99 HG23 ILE 99 3.792 10.748 0.585 810 HD11 ILE 99 HD11 ILE 99 4.645 7.667 0.391 811 HD12 ILE 99 HD12 ILE 99 3.631 6.492 1.233 812 HD13 ILE 99 HD13 ILE 99 5.131 7.054 1.972 813 H TYR 100 HN TYR 100 1.295 9.244 4.518 814 HA TYR 100 HA TYR 100 -0.315 6.894 4.196 815 HB2 TYR 100 HB2 TYR 100 1.315 7.872 6.231 816 HB3 TYR 100 HB1 TYR 100 -0.287 7.963 6.933 817 HD1 TYR 100 HD2 TYR 100 -1.631 5.544 5.946 818 HD2 TYR 100 HD1 TYR 100 2.418 6.062 7.185 819 HE1 TYR 100 HE2 TYR 100 -1.505 3.166 6.530 820 HE2 TYR 100 HE1 TYR 100 2.541 3.681 7.773 821 HH TYR 100 HH TYR 100 0.818 1.428 6.743 822 H THR 101 HN THR 101 -1.120 10.257 4.630 823 HA THR 101 HA THR 101 -3.655 10.018 5.850 824 HB THR 101 HB THR 101 -2.974 12.216 3.889 825 HG1 THR 101 HG1 THR 101 -1.225 12.477 5.039 826 HG21 THR 101 HG21 THR 101 -4.347 12.367 6.563 827 HG22 THR 101 HG22 THR 101 -5.185 12.281 5.015 828 HG23 THR 101 HG23 THR 101 -4.151 13.662 5.382 829 H MET 102 HN MET 102 -2.696 9.746 2.430 830 HA MET 102 HA MET 102 -5.362 9.815 1.372 831 HB2 MET 102 HB2 MET 102 -2.873 10.012 0.236 832 HB3 MET 102 HB1 MET 102 -3.305 8.378 -0.222 833 HG2 MET 102 HG2 MET 102 -4.897 10.870 -0.828 834 HG3 MET 102 HG1 MET 102 -3.855 10.012 -1.953 835 HE1 MET 102 HE1 MET 102 -4.161 7.432 -2.325 836 HE2 MET 102 HE2 MET 102 -5.744 6.726 -2.641 837 HE3 MET 102 HE3 MET 102 -5.089 6.723 -1.006 838 H ILE 103 HN ILE 103 -3.139 7.175 2.280 839 HA ILE 103 HA ILE 103 -4.630 4.990 1.315 840 HB ILE 103 HB ILE 103 -2.724 5.072 3.681 841 HG12 ILE 103 HG12 ILE 103 -2.111 4.092 0.875 842 HG13 ILE 103 HG11 ILE 103 -1.856 5.762 1.352 843 HG21 ILE 103 HG21 ILE 103 -3.762 2.668 2.160 844 HG22 ILE 103 HG22 ILE 103 -4.059 3.057 3.853 845 HG23 ILE 103 HG23 ILE 103 -2.437 2.631 3.323 846 HD11 ILE 103 HD11 ILE 103 0.220 4.649 1.512 847 HD12 ILE 103 HD12 ILE 103 -0.484 3.322 2.434 848 HD13 ILE 103 HD13 ILE 103 -0.344 4.923 3.160 849 H TYR 104 HN TYR 104 -4.975 6.835 4.314 850 HA TYR 104 HA TYR 104 -6.750 4.989 5.608 851 HB2 TYR 104 HB2 TYR 104 -5.291 6.569 6.832 852 HB3 TYR 104 HB1 TYR 104 -6.214 7.917 6.191 853 HD1 TYR 104 HD2 TYR 104 -6.485 4.902 8.385 854 HD2 TYR 104 HD1 TYR 104 -8.142 8.686 7.324 855 HE1 TYR 104 HE2 TYR 104 -7.986 4.790 10.328 856 HE2 TYR 104 HE1 TYR 104 -9.638 8.578 9.268 857 HH TYR 104 HH TYR 104 -9.345 7.072 11.748 858 H ARG 105 HN ARG 105 -7.287 7.362 3.114 859 HA ARG 105 HA ARG 105 -10.121 7.698 3.800 860 HB2 ARG 105 HB2 ARG 105 -8.386 9.001 1.693 861 HB3 ARG 105 HB1 ARG 105 -10.118 9.273 1.822 862 HG2 ARG 105 HG2 ARG 105 -9.616 10.005 4.243 863 HG3 ARG 105 HG1 ARG 105 -7.938 10.103 3.708 864 HD2 ARG 105 HD2 ARG 105 -8.874 11.555 1.777 865 HD3 ARG 105 HD1 ARG 105 -10.315 11.684 2.780 866 HE ARG 105 HE ARG 105 -9.177 13.042 4.249 867 HH11 ARG 105 HH11 ARG 105 -6.810 11.751 1.945 868 HH12 ARG 105 HH12 ARG 105 -5.595 12.892 2.397 869 HH21 ARG 105 HH21 ARG 105 -7.539 14.525 4.805 870 HH22 ARG 105 HH22 ARG 105 -6.002 14.455 4.012 871 H ASN 106 HN ASN 106 -8.138 6.217 1.194 872 HA ASN 106 HA ASN 106 -10.583 5.403 -0.230 873 HB2 ASN 106 HB2 ASN 106 -7.664 5.433 -1.019 874 HB3 ASN 106 HB1 ASN 106 -8.889 4.642 -2.002 875 HD21 ASN 106 HD21 ASN 106 -9.004 5.932 -3.772 876 HD22 ASN 106 HD22 ASN 106 -9.345 7.625 -3.725 877 H LEU 107 HN LEU 107 -10.112 3.951 2.252 878 HA LEU 107 HA LEU 107 -9.980 1.265 1.114 879 HB2 LEU 107 HB2 LEU 107 -8.318 0.390 2.446 880 HB3 LEU 107 HB1 LEU 107 -7.691 1.955 2.014 881 HG LEU 107 HG LEU 107 -7.054 1.838 4.204 882 HD11 LEU 107 HD11 LEU 107 -8.191 3.383 5.495 883 HD12 LEU 107 HD12 LEU 107 -9.768 2.916 4.867 884 HD13 LEU 107 HD13 LEU 107 -8.644 3.815 3.849 885 HD21 LEU 107 HD21 LEU 107 -8.047 0.659 5.962 886 HD22 LEU 107 HD22 LEU 107 -8.268 -0.361 4.542 887 HD23 LEU 107 HD23 LEU 107 -9.614 0.596 5.159 888 H VAL 108 HN VAL 108 -10.650 -0.472 2.771 889 HA VAL 108 HA VAL 108 -12.815 0.577 4.496 890 HB VAL 108 HB VAL 108 -13.682 -0.486 2.414 891 HG11 VAL 108 HG11 VAL 108 -12.639 -3.107 3.487 892 HG12 VAL 108 HG12 VAL 108 -11.911 -2.211 2.153 893 HG13 VAL 108 HG13 VAL 108 -13.550 -2.839 2.000 894 HG21 VAL 108 HG21 VAL 108 -15.012 -0.435 4.506 895 HG22 VAL 108 HG22 VAL 108 -14.425 -2.055 4.887 896 HG23 VAL 108 HG23 VAL 108 -15.419 -1.790 3.453 897 H VAL 109 HN VAL 109 -13.106 -0.325 6.514 898 HA VAL 109 HA VAL 109 -11.273 -2.484 7.370 899 HB VAL 109 HB VAL 109 -11.127 -1.283 9.623 900 HG11 VAL 109 HG11 VAL 109 -9.778 0.121 7.328 901 HG12 VAL 109 HG12 VAL 109 -9.266 -1.431 7.994 902 HG13 VAL 109 HG13 VAL 109 -9.218 0.019 8.995 903 HG21 VAL 109 HG21 VAL 109 -11.895 1.169 8.028 904 HG22 VAL 109 HG22 VAL 109 -11.464 1.091 9.737 905 HG23 VAL 109 HG23 VAL 109 -12.963 0.356 9.174 906 H VAL 110 HN VAL 110 -11.924 -3.531 9.442 907 HA VAL 110 HA VAL 110 -14.788 -4.084 9.441 908 HB VAL 110 HB VAL 110 -12.616 -5.356 11.151 909 HG11 VAL 110 HG11 VAL 110 -14.788 -5.735 12.132 910 HG12 VAL 110 HG12 VAL 110 -14.237 -7.231 11.382 911 HG13 VAL 110 HG13 VAL 110 -15.451 -6.239 10.576 912 HG21 VAL 110 HG21 VAL 110 -13.772 -6.320 8.527 913 HG22 VAL 110 HG22 VAL 110 -12.658 -7.226 9.550 914 HG23 VAL 110 HG23 VAL 110 -12.132 -5.727 8.790 915 H ASN 111 HN ASN 111 -12.323 -2.986 11.822 916 HA ASN 111 HA ASN 111 -14.469 -2.052 13.624 917 HB2 ASN 111 HB2 ASN 111 -11.504 -2.471 14.137 918 HB3 ASN 111 HB1 ASN 111 -12.652 -1.869 15.328 919 HD21 ASN 111 HD21 ASN 111 -14.363 -3.324 16.039 920 HD22 ASN 111 HD22 ASN 111 -14.100 -5.030 15.980 921 H GLN 112 HN GLN 112 -15.033 0.046 13.385 922 HA GLN 112 HA GLN 112 -13.046 1.988 12.388 923 HB2 GLN 112 HB2 GLN 112 -16.063 1.939 12.374 924 HB3 GLN 112 HB1 GLN 112 -15.194 3.446 12.145 925 HG2 GLN 112 HG2 GLN 112 -14.563 1.074 10.428 926 HG3 GLN 112 HG1 GLN 112 -15.979 2.064 10.095 927 HE21 GLN 112 HE21 GLN 112 -15.518 3.341 8.390 928 HE22 GLN 112 HE22 GLN 112 -14.061 4.246 8.187 929 H GLN 113 HN GLN 113 -12.694 3.984 13.425 930 HA GLN 113 HA GLN 113 -13.385 4.035 16.295 931 HB2 GLN 113 HB2 GLN 113 -11.174 5.397 14.730 932 HB3 GLN 113 HB1 GLN 113 -11.507 5.731 16.423 933 HG2 GLN 113 HG2 GLN 113 -11.001 3.420 17.003 934 HG3 GLN 113 HG1 GLN 113 -10.721 3.042 15.304 935 HE21 GLN 113 HE21 GLN 113 -9.473 4.738 18.120 936 HE22 GLN 113 HE22 GLN 113 -7.872 4.951 17.510 937 H GLU 114 HN GLU 114 -15.588 4.712 15.290 938 HA GLU 114 HA GLU 114 -17.226 6.243 15.047 939 HB2 GLU 114 HB2 GLU 114 -15.995 7.138 17.160 940 HB3 GLU 114 HB1 GLU 114 -15.396 8.404 16.103 941 HG2 GLU 114 HG2 GLU 114 -17.259 9.371 17.078 942 HG3 GLU 114 HG1 GLU 114 -17.879 8.816 15.527 943 H SER 115 HN SER 115 -16.090 5.705 12.706 944 HA SER 115 HA SER 115 -16.366 8.188 11.212 945 HB2 SER 115 HB2 SER 115 -13.915 8.032 11.756 946 HB3 SER 115 HB1 SER 115 -13.854 6.521 10.848 947 HG SER 115 HG SER 115 -13.242 8.334 9.579 948 H SER 116 HN SER 116 -16.680 7.862 8.905 949 HA SER 116 HA SER 116 -17.388 5.089 8.145 950 HB2 SER 116 HB2 SER 116 -19.330 6.021 6.892 951 HB3 SER 116 HB1 SER 116 -19.453 6.276 8.631 952 HG SER 116 HG SER 116 -19.179 8.388 8.361 953 H ASP 117 HN ASP 117 -17.138 4.514 5.953 954 HA ASP 117 HA ASP 117 -15.681 6.426 4.226 955 HB2 ASP 117 HB2 ASP 117 -14.343 4.457 5.433 956 HB3 ASP 117 HB1 ASP 117 -14.993 3.502 4.106 957 H SER 118 HN SER 118 -15.972 6.153 1.939 958 HA SER 118 HA SER 118 -18.497 4.825 1.238 959 HB2 SER 118 HB2 SER 118 -18.339 6.189 -0.873 960 HB3 SER 118 HB1 SER 118 -18.439 7.138 0.608 961 HG SER 118 HG SER 118 -16.825 7.925 -0.810 962 H GLY 119 HN GLY 119 -15.349 5.268 -0.494 963 HA2 GLY 119 HA2 GLY 119 -14.030 3.712 -1.577 964 HA3 GLY 119 HA1 GLY 119 -15.066 2.439 -0.959 965 H THR 120 HN THR 120 -14.870 1.396 -3.036 966 HA THR 120 HA THR 120 -16.367 2.670 -5.246 967 HB THR 120 HB THR 120 -13.993 1.995 -5.696 968 HG1 THR 120 HG1 THR 120 -15.036 2.078 -7.545 969 HG21 THR 120 HG21 THR 120 -14.811 -0.857 -5.927 970 HG22 THR 120 HG22 THR 120 -14.268 -0.253 -4.363 971 HG23 THR 120 HG23 THR 120 -13.206 -0.145 -5.766 972 H SER 121 HN SER 121 -17.456 0.843 -6.730 973 HA SER 121 HA SER 121 -19.139 -0.794 -4.926 974 HB2 SER 121 HB2 SER 121 -19.770 0.336 -7.669 975 HB3 SER 121 HB1 SER 121 -20.861 -0.661 -6.706 976 HG SER 121 HG SER 121 -19.969 1.972 -6.220 977 H VAL 122 HN VAL 122 -16.708 -1.949 -5.576 978 HA VAL 122 HA VAL 122 -15.722 -3.831 -6.346 979 HB VAL 122 HB VAL 122 -18.498 -4.881 -6.998 980 HG11 VAL 122 HG11 VAL 122 -16.736 -6.297 -7.880 981 HG12 VAL 122 HG12 VAL 122 -17.486 -7.093 -6.499 982 HG13 VAL 122 HG13 VAL 122 -15.917 -6.308 -6.319 983 HG21 VAL 122 HG21 VAL 122 -17.036 -5.012 -4.353 984 HG22 VAL 122 HG22 VAL 122 -18.571 -5.795 -4.729 985 HG23 VAL 122 HG23 VAL 122 -18.466 -4.036 -4.694 986 H SER 123 HN SER 123 -14.505 -3.378 -8.118 987 HA SER 123 HA SER 123 -15.693 -3.834 -10.765 988 HB2 SER 123 HB2 SER 123 -15.675 -1.344 -10.243 989 HB3 SER 123 HB1 SER 123 -13.914 -1.434 -10.247 990 HG SER 123 HG SER 123 -15.714 -1.591 -12.362 991 H GLU 124 HN GLU 124 -14.290 -5.788 -9.674 992 HA GLU 124 HA GLU 124 -11.535 -5.602 -10.738 993 HB2 GLU 124 HB2 GLU 124 -12.038 -6.177 -8.230 994 HB3 GLU 124 HB1 GLU 124 -12.435 -7.771 -8.843 995 HG2 GLU 124 HG2 GLU 124 -9.805 -6.499 -9.530 996 HG3 GLU 124 HG1 GLU 124 -10.043 -7.257 -7.959 997 H ASN 125 HN ASN 125 -14.275 -7.922 -10.430 998 HA ASN 125 HA ASN 125 -13.662 -8.938 -13.118 999 HB2 ASN 125 HB2 ASN 125 -13.996 -11.300 -12.334 1000 HB3 ASN 125 HB1 ASN 125 -12.528 -10.544 -11.743 1001 HD21 ASN 125 HD21 ASN 125 -15.715 -11.719 -10.859 1002 HD22 ASN 125 HD22 ASN 125 -15.436 -11.741 -9.155 1003 H1 13Q 201 HAL 13Q 999 8.731 4.104 0.906 1004 H2 13Q 201 HAJ 13Q 999 7.008 4.508 -0.831 1005 H3 13Q 201 HAI 13Q 999 4.884 1.005 0.466 1006 H4 13Q 201 HAK 13Q 999 6.609 0.603 2.201 1007 H5 13Q 201 HBB 13Q 999 8.461 1.198 3.178 1008 H6 13Q 201 HAZ 13Q 999 12.006 2.930 4.418 1009 H8 13Q 201 HAT 13Q 999 9.838 3.775 5.394 1010 H7 13Q 201 HAU 13Q 999 9.848 2.039 5.000 1011 H9 13Q 201 HBA 13Q 999 8.830 4.200 3.120 1012 H10 13Q 201 HAH 13Q 999 7.869 1.451 5.405 1013 H11 13Q 201 HAM 13Q 999 6.843 5.103 3.391 1014 H12 13Q 201 HAG 13Q 999 4.110 3.366 6.216 1015 H13 13Q 201 HAF 13Q 999 5.705 1.509 6.614 1016 H15 13Q 201 HAV 13Q 999 9.375 0.328 0.793 1017 H14 13Q 201 HAW 13Q 999 11.161 0.340 1.178 1018 H16 13Q 201 HAY 13Q 999 11.085 2.613 -0.183 1019 H18 13Q 201 HAN 13Q 999 8.573 1.036 -1.206 1020 H17 13Q 201 HAO 13Q 999 9.315 2.514 -1.998 1021 H20 13Q 201 HAP 13Q 999 11.504 1.254 -2.281 1022 H19 13Q 201 HAQ 13Q 999 10.768 -0.218 -1.471 1023 H22 13Q 201 HAR 13Q 999 10.517 5.009 2.764 1024 H21 13Q 201 HAS 13Q 999 11.297 5.310 4.332 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -6.767 -11.933 -12.738 2 H2 MET 1 HT2 MET 1 -6.236 -10.438 -13.395 3 H3 MET 1 HT3 MET 1 -7.904 -10.703 -13.107 4 HA MET 1 HA MET 1 -7.110 -9.313 -11.425 5 HB2 MET 1 HB2 MET 1 -7.542 -12.186 -10.576 6 HB3 MET 1 HB1 MET 1 -7.407 -10.883 -9.409 7 HG2 MET 1 HG2 MET 1 -9.626 -10.754 -9.577 8 HG3 MET 1 HG1 MET 1 -9.318 -9.877 -11.070 9 HE1 MET 1 HE1 MET 1 -12.064 -10.919 -10.788 10 HE2 MET 1 HE2 MET 1 -11.710 -12.290 -9.737 11 HE3 MET 1 HE3 MET 1 -12.440 -12.558 -11.320 12 H CYS 2 HN CYS 2 -5.131 -12.323 -11.442 13 HA CYS 2 HA CYS 2 -2.955 -10.826 -10.117 14 HB2 CYS 2 HB2 CYS 2 -2.089 -13.009 -9.339 15 HB3 CYS 2 HB1 CYS 2 -3.702 -12.670 -8.738 16 HG CYS 2 HG CYS 2 -4.644 -14.550 -10.162 17 H ASN 3 HN ASN 3 -0.889 -10.823 -10.938 18 HA ASN 3 HA ASN 3 -0.526 -11.936 -13.660 19 HB2 ASN 3 HB2 ASN 3 0.704 -9.485 -12.364 20 HB3 ASN 3 HB1 ASN 3 1.239 -10.140 -13.904 21 HD21 ASN 3 HD21 ASN 3 0.697 -8.266 -15.053 22 HD22 ASN 3 HD22 ASN 3 -0.942 -7.812 -15.350 23 H THR 4 HN THR 4 1.255 -11.205 -10.622 24 HA THR 4 HA THR 4 3.458 -12.963 -11.347 25 HB THR 4 HB THR 4 3.102 -11.747 -8.609 26 HG1 THR 4 HG1 THR 4 3.943 -10.328 -10.927 27 HG21 THR 4 HG21 THR 4 5.570 -11.289 -8.907 28 HG22 THR 4 HG22 THR 4 5.499 -12.336 -10.325 29 HG23 THR 4 HG23 THR 4 5.102 -12.979 -8.730 30 H ASN 5 HN ASN 5 4.200 -14.667 -9.693 31 HA ASN 5 HA ASN 5 2.142 -16.582 -9.345 32 HB2 ASN 5 HB2 ASN 5 5.003 -16.540 -8.347 33 HB3 ASN 5 HB1 ASN 5 3.928 -17.917 -8.132 34 HD21 ASN 5 HD21 ASN 5 3.132 -19.001 -10.059 35 HD22 ASN 5 HD22 ASN 5 4.071 -18.949 -11.508 36 H MET 6 HN MET 6 4.236 -15.676 -6.539 37 HA MET 6 HA MET 6 2.097 -14.652 -4.955 38 HB2 MET 6 HB2 MET 6 2.000 -16.502 -3.270 39 HB3 MET 6 HB1 MET 6 1.286 -16.903 -4.819 40 HG2 MET 6 HG2 MET 6 4.116 -17.690 -4.558 41 HG3 MET 6 HG1 MET 6 3.034 -18.469 -3.411 42 HE1 MET 6 HE1 MET 6 3.504 -21.300 -6.053 43 HE2 MET 6 HE2 MET 6 3.547 -20.881 -4.339 44 HE3 MET 6 HE3 MET 6 4.717 -20.170 -5.451 45 H SER 7 HN SER 7 2.721 -14.012 -2.810 46 HA SER 7 HA SER 7 5.490 -14.360 -1.965 47 HB2 SER 7 HB2 SER 7 4.357 -11.617 -2.602 48 HB3 SER 7 HB1 SER 7 5.881 -11.905 -1.762 49 HG SER 7 HG SER 7 6.234 -11.560 -3.975 50 H VAL 8 HN VAL 8 5.380 -14.822 0.173 51 HA VAL 8 HA VAL 8 3.627 -13.259 1.922 52 HB VAL 8 HB VAL 8 2.957 -15.482 3.106 53 HG11 VAL 8 HG11 VAL 8 0.913 -15.642 1.828 54 HG12 VAL 8 HG12 VAL 8 1.658 -14.798 0.469 55 HG13 VAL 8 HG13 VAL 8 1.387 -13.951 1.992 56 HG21 VAL 8 HG21 VAL 8 3.413 -16.598 0.327 57 HG22 VAL 8 HG22 VAL 8 2.719 -17.444 1.710 58 HG23 VAL 8 HG23 VAL 8 4.413 -16.963 1.733 59 HA PRO 9 HA PRO 9 7.690 -14.015 3.997 60 HB2 PRO 9 HB2 PRO 9 8.072 -11.532 4.981 61 HB3 PRO 9 HB1 PRO 9 8.410 -11.936 3.296 62 HG2 PRO 9 HG2 PRO 9 6.063 -10.510 4.467 63 HG3 PRO 9 HG1 PRO 9 6.934 -10.192 2.958 64 HD2 PRO 9 HD2 PRO 9 4.535 -11.558 3.142 65 HD3 PRO 9 HD1 PRO 9 5.674 -11.683 1.787 66 H THR 10 HN THR 10 8.327 -13.974 6.287 67 HA THR 10 HA THR 10 6.010 -14.172 8.092 68 HB THR 10 HB THR 10 8.827 -15.144 8.647 69 HG1 THR 10 HG1 THR 10 6.697 -16.553 7.397 70 HG21 THR 10 HG21 THR 10 6.190 -16.072 9.775 71 HG22 THR 10 HG22 THR 10 7.372 -15.071 10.617 72 HG23 THR 10 HG23 THR 10 7.782 -16.723 10.161 73 H ASP 11 HN ASP 11 9.396 -12.922 8.212 74 HA ASP 11 HA ASP 11 8.583 -11.061 10.356 75 HB2 ASP 11 HB2 ASP 11 10.980 -10.837 10.868 76 HB3 ASP 11 HB1 ASP 11 10.450 -12.510 10.935 77 H GLY 12 HN GLY 12 9.598 -11.064 7.004 78 HA2 GLY 12 HA2 GLY 12 10.600 -8.397 6.868 79 HA3 GLY 12 HA1 GLY 12 10.070 -9.382 5.512 80 H ALA 13 HN ALA 13 9.164 -6.937 7.828 81 HA ALA 13 HA ALA 13 6.702 -6.373 6.295 82 HB1 ALA 13 HB1 ALA 13 6.221 -7.533 8.485 83 HB2 ALA 13 HB2 ALA 13 5.441 -5.969 8.259 84 HB3 ALA 13 HB3 ALA 13 6.865 -6.103 9.294 85 H VAL 14 HN VAL 14 5.951 -4.114 6.505 86 HA VAL 14 HA VAL 14 8.224 -2.269 6.723 87 HB VAL 14 HB VAL 14 6.064 -2.556 4.839 88 HG11 VAL 14 HG11 VAL 14 6.149 0.179 6.087 89 HG12 VAL 14 HG12 VAL 14 4.762 -0.895 5.940 90 HG13 VAL 14 HG13 VAL 14 5.466 -0.166 4.500 91 HG21 VAL 14 HG21 VAL 14 7.446 -1.293 3.406 92 HG22 VAL 14 HG22 VAL 14 8.522 -2.246 4.425 93 HG23 VAL 14 HG23 VAL 14 8.285 -0.530 4.757 94 H THR 15 HN THR 15 8.367 -0.759 8.294 95 HA THR 15 HA THR 15 6.125 0.449 9.584 96 HB THR 15 HB THR 15 5.989 -1.704 10.736 97 HG1 THR 15 HG1 THR 15 7.058 0.243 12.510 98 HG21 THR 15 HG21 THR 15 7.656 -2.691 12.049 99 HG22 THR 15 HG22 THR 15 8.697 -1.273 11.956 100 HG23 THR 15 HG23 THR 15 8.458 -2.283 10.533 101 H THR 16 HN THR 16 6.699 2.301 10.761 102 HA THR 16 HA THR 16 9.543 2.826 11.274 103 HB THR 16 HB THR 16 7.855 4.901 9.856 104 HG1 THR 16 HG1 THR 16 9.568 2.971 8.655 105 HG21 THR 16 HG21 THR 16 10.780 4.621 10.414 106 HG22 THR 16 HG22 THR 16 9.719 6.006 10.657 107 HG23 THR 16 HG23 THR 16 10.216 5.552 9.029 108 H SER 17 HN SER 17 9.881 4.812 12.642 109 HA SER 17 HA SER 17 8.380 4.717 14.995 110 HB2 SER 17 HB2 SER 17 10.245 6.912 14.057 111 HB3 SER 17 HB1 SER 17 9.664 6.711 15.711 112 HG SER 17 HG SER 17 11.536 5.222 14.285 113 H GLN 18 HN GLN 18 7.874 6.867 12.202 114 HA GLN 18 HA GLN 18 6.318 8.854 13.467 115 HB2 GLN 18 HB2 GLN 18 6.555 7.887 10.628 116 HB3 GLN 18 HB1 GLN 18 5.252 8.989 11.035 117 HG2 GLN 18 HG2 GLN 18 6.964 10.359 10.244 118 HG3 GLN 18 HG1 GLN 18 7.037 10.528 11.996 119 HE21 GLN 18 HE21 GLN 18 8.848 9.729 13.112 120 HE22 GLN 18 HE22 GLN 18 10.274 9.200 12.295 121 H ILE 19 HN ILE 19 5.086 6.102 11.498 122 HA ILE 19 HA ILE 19 2.742 5.903 13.283 123 HB ILE 19 HB ILE 19 2.594 5.746 10.244 124 HG12 ILE 19 HG12 ILE 19 1.305 7.811 12.065 125 HG13 ILE 19 HG11 ILE 19 2.827 8.081 11.228 126 HG21 ILE 19 HG21 ILE 19 0.125 5.586 10.623 127 HG22 ILE 19 HG22 ILE 19 0.444 5.403 12.348 128 HG23 ILE 19 HG23 ILE 19 1.026 4.191 11.208 129 HD11 ILE 19 HD11 ILE 19 1.690 7.827 9.079 130 HD12 ILE 19 HD12 ILE 19 0.999 9.127 10.049 131 HD13 ILE 19 HD13 ILE 19 0.160 7.582 9.923 132 HA PRO 20 HA PRO 20 4.873 1.810 12.786 133 HB2 PRO 20 HB2 PRO 20 4.861 1.066 15.382 134 HB3 PRO 20 HB1 PRO 20 6.035 2.216 14.737 135 HG2 PRO 20 HG2 PRO 20 3.524 2.738 16.279 136 HG3 PRO 20 HG1 PRO 20 5.125 3.476 16.466 137 HD2 PRO 20 HD2 PRO 20 3.052 4.646 15.116 138 HD3 PRO 20 HD1 PRO 20 4.760 4.976 14.775 139 H ALA 21 HN ALA 21 4.196 -0.433 13.908 140 HA ALA 21 HA ALA 21 1.652 -1.128 12.894 141 HB1 ALA 21 HB1 ALA 21 3.515 -2.697 12.989 142 HB2 ALA 21 HB2 ALA 21 2.091 -3.351 13.795 143 HB3 ALA 21 HB3 ALA 21 3.429 -2.706 14.749 144 H SER 22 HN SER 22 2.588 -0.056 16.117 145 HA SER 22 HA SER 22 0.558 -1.189 17.678 146 HB2 SER 22 HB2 SER 22 2.546 0.070 18.549 147 HB3 SER 22 HB1 SER 22 1.752 1.571 18.078 148 HG SER 22 HG SER 22 0.477 1.414 19.761 149 H GLU 23 HN GLU 23 0.470 1.763 15.674 150 HA GLU 23 HA GLU 23 -2.290 2.337 16.470 151 HB2 GLU 23 HB2 GLU 23 -0.352 3.795 14.651 152 HB3 GLU 23 HB1 GLU 23 -2.019 4.301 14.877 153 HG2 GLU 23 HG2 GLU 23 -0.128 4.009 17.200 154 HG3 GLU 23 HG1 GLU 23 -0.204 5.480 16.236 155 H GLN 24 HN GLN 24 -0.480 1.391 13.515 156 HA GLN 24 HA GLN 24 -3.007 0.970 12.076 157 HB2 GLN 24 HB2 GLN 24 -0.138 0.920 11.097 158 HB3 GLN 24 HB1 GLN 24 -1.533 0.607 10.078 159 HG2 GLN 24 HG2 GLN 24 -1.103 3.196 11.567 160 HG3 GLN 24 HG1 GLN 24 -0.558 2.909 9.917 161 HE21 GLN 24 HE21 GLN 24 -3.393 3.285 11.981 162 HE22 GLN 24 HE22 GLN 24 -4.504 3.606 10.697 163 H GLU 25 HN GLU 25 -3.736 -0.883 13.196 164 HA GLU 25 HA GLU 25 -2.574 -3.393 12.239 165 HB2 GLU 25 HB2 GLU 25 -2.876 -4.413 14.569 166 HB3 GLU 25 HB1 GLU 25 -1.489 -3.365 14.337 167 HG2 GLU 25 HG2 GLU 25 -2.564 -1.569 15.519 168 HG3 GLU 25 HG1 GLU 25 -4.075 -2.469 15.608 169 H THR 26 HN THR 26 -4.613 -2.726 10.946 170 HA THR 26 HA THR 26 -6.997 -3.980 12.175 171 HB THR 26 HB THR 26 -7.008 -1.666 10.208 172 HG1 THR 26 HG1 THR 26 -7.253 -1.678 13.034 173 HG21 THR 26 HG21 THR 26 -9.398 -1.535 11.473 174 HG22 THR 26 HG22 THR 26 -9.171 -3.279 11.382 175 HG23 THR 26 HG23 THR 26 -9.135 -2.311 9.913 176 H LEU 27 HN LEU 27 -8.286 -5.297 10.848 177 HA LEU 27 HA LEU 27 -6.956 -6.456 8.535 178 HB2 LEU 27 HB2 LEU 27 -9.448 -7.120 10.092 179 HB3 LEU 27 HB1 LEU 27 -9.163 -7.872 8.534 180 HG LEU 27 HG LEU 27 -7.088 -8.041 10.717 181 HD11 LEU 27 HD11 LEU 27 -9.459 -9.878 10.369 182 HD12 LEU 27 HD12 LEU 27 -9.113 -8.849 11.761 183 HD13 LEU 27 HD13 LEU 27 -8.056 -10.210 11.387 184 HD21 LEU 27 HD21 LEU 27 -7.745 -9.773 8.324 185 HD22 LEU 27 HD22 LEU 27 -6.510 -10.145 9.528 186 HD23 LEU 27 HD23 LEU 27 -6.349 -8.712 8.516 187 H VAL 28 HN VAL 28 -7.603 -6.299 6.387 188 HA VAL 28 HA VAL 28 -9.799 -4.403 5.789 189 HB VAL 28 HB VAL 28 -8.563 -3.670 3.787 190 HG11 VAL 28 HG11 VAL 28 -6.905 -3.354 6.292 191 HG12 VAL 28 HG12 VAL 28 -8.361 -2.435 5.910 192 HG13 VAL 28 HG13 VAL 28 -6.930 -2.277 4.895 193 HG21 VAL 28 HG21 VAL 28 -6.204 -4.217 3.451 194 HG22 VAL 28 HG22 VAL 28 -7.190 -5.674 3.379 195 HG23 VAL 28 HG23 VAL 28 -6.248 -5.320 4.825 196 H ARG 29 HN ARG 29 -11.007 -4.722 3.845 197 HA ARG 29 HA ARG 29 -11.088 -7.537 2.937 198 HB2 ARG 29 HB2 ARG 29 -13.254 -5.415 2.941 199 HB3 ARG 29 HB1 ARG 29 -13.449 -7.040 2.299 200 HG2 ARG 29 HG2 ARG 29 -13.559 -8.008 4.372 201 HG3 ARG 29 HG1 ARG 29 -12.582 -6.757 5.141 202 HD2 ARG 29 HD2 ARG 29 -14.403 -5.235 5.186 203 HD3 ARG 29 HD1 ARG 29 -15.370 -6.240 4.109 204 HE ARG 29 HE ARG 29 -14.925 -7.823 6.301 205 HH11 ARG 29 HH11 ARG 29 -16.383 -4.624 5.867 206 HH12 ARG 29 HH12 ARG 29 -17.439 -4.805 7.222 207 HH21 ARG 29 HH21 ARG 29 -16.341 -8.018 8.079 208 HH22 ARG 29 HH22 ARG 29 -17.419 -6.721 8.474 209 HA PRO 30 HA PRO 30 -10.076 -6.078 -1.183 210 HB2 PRO 30 HB2 PRO 30 -10.837 -8.163 -2.709 211 HB3 PRO 30 HB1 PRO 30 -9.499 -8.285 -1.565 212 HG2 PRO 30 HG2 PRO 30 -12.303 -9.272 -1.309 213 HG3 PRO 30 HG1 PRO 30 -10.791 -10.030 -0.780 214 HD2 PRO 30 HD2 PRO 30 -12.534 -8.614 0.856 215 HD3 PRO 30 HD1 PRO 30 -10.833 -8.955 1.222 216 H LYS 31 HN LYS 31 -11.729 -4.318 -0.976 217 HA LYS 31 HA LYS 31 -13.902 -4.669 -2.930 218 HB2 LYS 31 HB2 LYS 31 -14.113 -3.732 -0.113 219 HB3 LYS 31 HB1 LYS 31 -15.080 -2.867 -1.295 220 HG2 LYS 31 HG2 LYS 31 -15.175 -5.862 -1.223 221 HG3 LYS 31 HG1 LYS 31 -16.052 -4.933 -0.010 222 HD2 LYS 31 HD2 LYS 31 -16.377 -4.351 -2.949 223 HD3 LYS 31 HD1 LYS 31 -17.285 -5.646 -2.174 224 HE2 LYS 31 HE2 LYS 31 -17.306 -2.835 -1.088 225 HE3 LYS 31 HE1 LYS 31 -18.399 -3.342 -2.372 226 HZ1 LYS 31 HZ1 LYS 31 -18.227 -4.534 0.348 227 HZ2 LYS 31 HZ2 LYS 31 -19.244 -5.083 -0.888 228 HZ3 LYS 31 HZ3 LYS 31 -19.465 -3.540 -0.235 229 HA PRO 32 HA PRO 32 -12.935 0.053 -3.219 230 HB2 PRO 32 HB2 PRO 32 -10.952 1.153 -1.664 231 HB3 PRO 32 HB1 PRO 32 -12.660 1.118 -1.224 232 HG2 PRO 32 HG2 PRO 32 -10.442 -0.678 -0.362 233 HG3 PRO 32 HG1 PRO 32 -11.756 0.019 0.595 234 HD2 PRO 32 HD2 PRO 32 -11.793 -2.533 -0.256 235 HD3 PRO 32 HD1 PRO 32 -13.269 -1.573 -0.083 236 H LEU 33 HN LEU 33 -10.814 1.532 -3.790 237 HA LEU 33 HA LEU 33 -9.406 0.015 -5.794 238 HB2 LEU 33 HB2 LEU 33 -10.379 2.496 -5.785 239 HB3 LEU 33 HB1 LEU 33 -8.778 2.893 -5.216 240 HG LEU 33 HG LEU 33 -9.183 3.208 -7.673 241 HD11 LEU 33 HD11 LEU 33 -6.914 2.937 -6.655 242 HD12 LEU 33 HD12 LEU 33 -7.032 2.536 -8.365 243 HD13 LEU 33 HD13 LEU 33 -6.960 1.250 -7.165 244 HD21 LEU 33 HD21 LEU 33 -9.023 0.209 -7.910 245 HD22 LEU 33 HD22 LEU 33 -9.297 1.393 -9.187 246 HD23 LEU 33 HD23 LEU 33 -10.538 1.112 -7.968 247 H LEU 34 HN LEU 34 -8.490 1.404 -2.659 248 HA LEU 34 HA LEU 34 -5.738 1.580 -2.951 249 HB2 LEU 34 HB2 LEU 34 -7.314 2.212 -0.960 250 HB3 LEU 34 HB1 LEU 34 -6.900 0.632 -0.343 251 HG LEU 34 HG LEU 34 -5.571 2.460 0.658 252 HD11 LEU 34 HD11 LEU 34 -3.707 0.736 -0.949 253 HD12 LEU 34 HD12 LEU 34 -4.687 0.094 0.370 254 HD13 LEU 34 HD13 LEU 34 -3.505 1.360 0.687 255 HD21 LEU 34 HD21 LEU 34 -5.510 3.777 -1.577 256 HD22 LEU 34 HD22 LEU 34 -4.070 2.819 -1.914 257 HD23 LEU 34 HD23 LEU 34 -4.126 3.857 -0.493 258 H LEU 35 HN LEU 35 -7.483 -1.314 -1.702 259 HA LEU 35 HA LEU 35 -5.037 -2.862 -1.768 260 HB2 LEU 35 HB2 LEU 35 -6.511 -4.798 -1.039 261 HB3 LEU 35 HB1 LEU 35 -6.289 -3.475 0.070 262 HG LEU 35 HG LEU 35 -8.616 -4.637 -0.221 263 HD11 LEU 35 HD11 LEU 35 -8.165 -2.791 1.297 264 HD12 LEU 35 HD12 LEU 35 -9.752 -2.648 0.548 265 HD13 LEU 35 HD13 LEU 35 -8.425 -1.640 -0.012 266 HD21 LEU 35 HD21 LEU 35 -10.136 -3.385 -1.747 267 HD22 LEU 35 HD22 LEU 35 -8.967 -4.405 -2.573 268 HD23 LEU 35 HD23 LEU 35 -8.726 -2.666 -2.503 269 H LYS 36 HN LYS 36 -6.881 -1.965 -4.299 270 HA LYS 36 HA LYS 36 -7.172 -4.486 -5.674 271 HB2 LYS 36 HB2 LYS 36 -8.511 -2.213 -5.962 272 HB3 LYS 36 HB1 LYS 36 -7.239 -1.852 -7.119 273 HG2 LYS 36 HG2 LYS 36 -7.805 -3.913 -8.354 274 HG3 LYS 36 HG1 LYS 36 -9.104 -4.228 -7.200 275 HD2 LYS 36 HD2 LYS 36 -10.099 -2.008 -7.849 276 HD3 LYS 36 HD1 LYS 36 -8.877 -1.897 -9.116 277 HE2 LYS 36 HE2 LYS 36 -10.809 -4.205 -8.881 278 HE3 LYS 36 HE1 LYS 36 -11.150 -2.757 -9.824 279 HZ1 LYS 36 HZ1 LYS 36 -9.138 -3.219 -11.135 280 HZ2 LYS 36 HZ2 LYS 36 -10.277 -4.464 -11.245 281 HZ3 LYS 36 HZ3 LYS 36 -8.908 -4.658 -10.271 282 H LEU 37 HN LEU 37 -4.651 -2.087 -5.337 283 HA LEU 37 HA LEU 37 -3.196 -2.652 -7.722 284 HB2 LEU 37 HB2 LEU 37 -2.972 -0.562 -6.380 285 HB3 LEU 37 HB1 LEU 37 -2.198 -1.476 -5.110 286 HG LEU 37 HG LEU 37 -0.697 -0.073 -6.606 287 HD11 LEU 37 HD11 LEU 37 0.200 -2.927 -6.694 288 HD12 LEU 37 HD12 LEU 37 -0.001 -2.094 -5.154 289 HD13 LEU 37 HD13 LEU 37 1.123 -1.465 -6.357 290 HD21 LEU 37 HD21 LEU 37 -0.032 -0.930 -8.762 291 HD22 LEU 37 HD22 LEU 37 -1.770 -0.647 -8.752 292 HD23 LEU 37 HD23 LEU 37 -1.144 -2.289 -8.608 293 H LEU 38 HN LEU 38 -2.814 -3.769 -4.334 294 HA LEU 38 HA LEU 38 -0.600 -5.477 -4.907 295 HB2 LEU 38 HB2 LEU 38 -1.191 -6.537 -2.630 296 HB3 LEU 38 HB1 LEU 38 -0.585 -4.902 -2.697 297 HG LEU 38 HG LEU 38 -3.522 -5.002 -2.732 298 HD11 LEU 38 HD11 LEU 38 -3.152 -6.995 -1.360 299 HD12 LEU 38 HD12 LEU 38 -3.834 -5.670 -0.418 300 HD13 LEU 38 HD13 LEU 38 -2.119 -6.059 -0.277 301 HD21 LEU 38 HD21 LEU 38 -2.299 -2.939 -2.386 302 HD22 LEU 38 HD22 LEU 38 -1.487 -3.619 -0.977 303 HD23 LEU 38 HD23 LEU 38 -3.222 -3.325 -0.937 304 H LYS 39 HN LYS 39 -3.898 -5.936 -5.652 305 HA LYS 39 HA LYS 39 -4.012 -8.786 -5.317 306 HB2 LYS 39 HB2 LYS 39 -6.007 -7.205 -5.440 307 HB3 LYS 39 HB1 LYS 39 -5.735 -7.128 -7.175 308 HG2 LYS 39 HG2 LYS 39 -6.285 -9.398 -7.477 309 HG3 LYS 39 HG1 LYS 39 -6.154 -9.750 -5.755 310 HD2 LYS 39 HD2 LYS 39 -8.191 -7.756 -6.689 311 HD3 LYS 39 HD1 LYS 39 -8.505 -9.474 -6.917 312 HE2 LYS 39 HE2 LYS 39 -7.580 -8.949 -4.216 313 HE3 LYS 39 HE1 LYS 39 -8.972 -7.945 -4.612 314 HZ1 LYS 39 HZ1 LYS 39 -10.216 -9.909 -5.197 315 HZ2 LYS 39 HZ2 LYS 39 -9.598 -10.086 -3.634 316 HZ3 LYS 39 HZ3 LYS 39 -8.871 -10.901 -4.925 317 H SER 40 HN SER 40 -2.641 -6.681 -7.731 318 HA SER 40 HA SER 40 -2.450 -8.837 -9.721 319 HB2 SER 40 HB2 SER 40 -3.313 -6.609 -10.444 320 HB3 SER 40 HB1 SER 40 -1.746 -5.909 -10.040 321 HG SER 40 HG SER 40 -0.905 -6.773 -11.793 322 H VAL 41 HN VAL 41 -0.491 -7.247 -7.323 323 HA VAL 41 HA VAL 41 2.037 -7.673 -8.647 324 HB VAL 41 HB VAL 41 3.135 -6.859 -6.688 325 HG11 VAL 41 HG11 VAL 41 2.023 -4.688 -6.333 326 HG12 VAL 41 HG12 VAL 41 0.588 -5.308 -7.142 327 HG13 VAL 41 HG13 VAL 41 2.098 -5.146 -8.031 328 HG21 VAL 41 HG21 VAL 41 1.760 -6.249 -4.612 329 HG22 VAL 41 HG22 VAL 41 2.152 -7.949 -4.850 330 HG23 VAL 41 HG23 VAL 41 0.545 -7.355 -5.242 331 H GLY 42 HN GLY 42 -0.001 -9.698 -6.673 332 HA2 GLY 42 HA2 GLY 42 0.686 -12.116 -6.940 333 HA3 GLY 42 HA1 GLY 42 2.230 -11.615 -6.275 334 H ALA 43 HN ALA 43 -1.229 -11.157 -5.418 335 HA ALA 43 HA ALA 43 -0.603 -12.053 -2.663 336 HB1 ALA 43 HB1 ALA 43 -1.035 -9.632 -2.736 337 HB2 ALA 43 HB2 ALA 43 -2.273 -10.492 -1.822 338 HB3 ALA 43 HB3 ALA 43 -2.612 -9.940 -3.462 339 H GLN 44 HN GLN 44 -1.464 -14.045 -2.408 340 HA GLN 44 HA GLN 44 -4.080 -14.661 -3.648 341 HB2 GLN 44 HB2 GLN 44 -1.851 -16.523 -2.779 342 HB3 GLN 44 HB1 GLN 44 -3.401 -17.057 -3.407 343 HG2 GLN 44 HG2 GLN 44 -1.547 -15.281 -4.985 344 HG3 GLN 44 HG1 GLN 44 -1.435 -17.037 -5.011 345 HE21 GLN 44 HE21 GLN 44 -3.340 -14.261 -5.990 346 HE22 GLN 44 HE22 GLN 44 -4.373 -15.120 -7.076 347 H LYS 45 HN LYS 45 -3.658 -13.247 -1.026 348 HA LYS 45 HA LYS 45 -4.676 -15.197 0.926 349 HB2 LYS 45 HB2 LYS 45 -3.802 -12.312 1.275 350 HB3 LYS 45 HB1 LYS 45 -4.361 -13.350 2.574 351 HG2 LYS 45 HG2 LYS 45 -2.056 -14.316 0.950 352 HG3 LYS 45 HG1 LYS 45 -1.779 -12.955 2.028 353 HD2 LYS 45 HD2 LYS 45 -1.259 -14.717 3.415 354 HD3 LYS 45 HD1 LYS 45 -2.958 -14.479 3.811 355 HE2 LYS 45 HE2 LYS 45 -3.617 -16.348 2.501 356 HE3 LYS 45 HE1 LYS 45 -2.034 -16.465 1.735 357 HZ1 LYS 45 HZ1 LYS 45 -1.102 -17.071 3.909 358 HZ2 LYS 45 HZ2 LYS 45 -2.281 -18.169 3.398 359 HZ3 LYS 45 HZ3 LYS 45 -2.652 -17.028 4.590 360 H ASP 46 HN ASP 46 -6.610 -14.727 2.180 361 HA ASP 46 HA ASP 46 -8.741 -13.632 0.555 362 HB2 ASP 46 HB2 ASP 46 -8.832 -15.722 2.115 363 HB3 ASP 46 HB1 ASP 46 -9.100 -14.563 3.409 364 H THR 47 HN THR 47 -7.300 -12.817 3.743 365 HA THR 47 HA THR 47 -8.323 -10.061 3.437 366 HB THR 47 HB THR 47 -8.535 -10.052 5.998 367 HG1 THR 47 HG1 THR 47 -7.699 -11.870 6.750 368 HG21 THR 47 HG21 THR 47 -10.747 -11.162 6.032 369 HG22 THR 47 HG22 THR 47 -10.442 -11.738 4.394 370 HG23 THR 47 HG23 THR 47 -10.547 -10.008 4.715 371 H TYR 48 HN TYR 48 -6.876 -8.465 3.821 372 HA TYR 48 HA TYR 48 -4.148 -9.238 4.659 373 HB2 TYR 48 HB2 TYR 48 -4.765 -6.588 3.369 374 HB3 TYR 48 HB1 TYR 48 -3.283 -7.526 3.327 375 HD1 TYR 48 HD1 TYR 48 -3.418 -9.797 1.979 376 HD2 TYR 48 HD2 TYR 48 -6.160 -6.568 1.490 377 HE1 TYR 48 HE1 TYR 48 -4.017 -10.645 -0.247 378 HE2 TYR 48 HE2 TYR 48 -6.763 -7.415 -0.734 379 HH TYR 48 HH TYR 48 -5.202 -9.148 -2.540 380 H THR 49 HN THR 49 -2.933 -7.261 5.721 381 HA THR 49 HA THR 49 -4.677 -6.062 7.801 382 HB THR 49 HB THR 49 -2.628 -6.086 9.275 383 HG1 THR 49 HG1 THR 49 -1.563 -7.916 7.379 384 HG21 THR 49 HG21 THR 49 -2.749 -8.367 9.958 385 HG22 THR 49 HG22 THR 49 -3.413 -8.857 8.401 386 HG23 THR 49 HG23 THR 49 -4.366 -7.844 9.488 387 H MET 50 HN MET 50 -3.917 -3.949 8.661 388 HA MET 50 HA MET 50 -3.338 -2.118 6.582 389 HB2 MET 50 HB2 MET 50 -4.567 -1.715 8.834 390 HB3 MET 50 HB1 MET 50 -2.968 -1.434 9.497 391 HG2 MET 50 HG2 MET 50 -3.784 0.691 8.995 392 HG3 MET 50 HG1 MET 50 -2.681 0.325 7.675 393 HE1 MET 50 HE1 MET 50 -4.914 2.010 5.193 394 HE2 MET 50 HE2 MET 50 -3.286 1.589 5.728 395 HE3 MET 50 HE3 MET 50 -4.285 2.667 6.703 396 H LYS 51 HN LYS 51 -1.175 -3.875 8.700 397 HA LYS 51 HA LYS 51 1.107 -2.136 8.220 398 HB2 LYS 51 HB2 LYS 51 0.678 -3.401 10.382 399 HB3 LYS 51 HB1 LYS 51 1.099 -4.871 9.523 400 HG2 LYS 51 HG2 LYS 51 3.182 -2.930 9.130 401 HG3 LYS 51 HG1 LYS 51 2.812 -3.033 10.847 402 HD2 LYS 51 HD2 LYS 51 3.224 -5.542 9.237 403 HD3 LYS 51 HD1 LYS 51 4.609 -4.608 9.793 404 HE2 LYS 51 HE2 LYS 51 4.267 -6.261 11.435 405 HE3 LYS 51 HE1 LYS 51 3.626 -4.778 12.129 406 HZ1 LYS 51 HZ1 LYS 51 1.903 -6.771 10.759 407 HZ2 LYS 51 HZ2 LYS 51 1.425 -5.503 11.772 408 HZ3 LYS 51 HZ3 LYS 51 2.236 -6.837 12.415 409 H GLU 52 HN GLU 52 -0.094 -5.292 7.057 410 HA GLU 52 HA GLU 52 2.289 -5.805 5.462 411 HB2 GLU 52 HB2 GLU 52 -0.328 -7.295 5.730 412 HB3 GLU 52 HB1 GLU 52 0.964 -7.804 4.654 413 HG2 GLU 52 HG2 GLU 52 2.467 -8.020 6.597 414 HG3 GLU 52 HG1 GLU 52 1.130 -7.581 7.657 415 H VAL 53 HN VAL 53 -0.940 -4.475 4.907 416 HA VAL 53 HA VAL 53 -1.142 -4.835 2.137 417 HB VAL 53 HB VAL 53 -2.986 -4.077 3.669 418 HG11 VAL 53 HG11 VAL 53 -1.668 -2.201 4.717 419 HG12 VAL 53 HG12 VAL 53 -3.321 -1.809 4.252 420 HG13 VAL 53 HG13 VAL 53 -1.972 -1.273 3.251 421 HG21 VAL 53 HG21 VAL 53 -2.669 -2.435 1.161 422 HG22 VAL 53 HG22 VAL 53 -4.182 -2.806 1.988 423 HG23 VAL 53 HG23 VAL 53 -3.250 -4.098 1.234 424 H LEU 54 HN LEU 54 0.643 -2.338 3.939 425 HA LEU 54 HA LEU 54 1.197 -0.750 1.586 426 HB2 LEU 54 HB2 LEU 54 1.038 0.223 3.887 427 HB3 LEU 54 HB1 LEU 54 2.521 -0.609 4.308 428 HG LEU 54 HG LEU 54 3.669 0.716 2.473 429 HD11 LEU 54 HD11 LEU 54 1.797 1.382 1.127 430 HD12 LEU 54 HD12 LEU 54 2.562 2.830 1.778 431 HD13 LEU 54 HD13 LEU 54 1.063 2.231 2.488 432 HD21 LEU 54 HD21 LEU 54 3.985 2.670 3.825 433 HD22 LEU 54 HD22 LEU 54 3.804 1.284 4.895 434 HD23 LEU 54 HD23 LEU 54 2.459 2.399 4.666 435 H PHE 55 HN PHE 55 2.788 -3.405 3.297 436 HA PHE 55 HA PHE 55 5.397 -3.127 2.250 437 HB2 PHE 55 HB2 PHE 55 4.769 -4.610 4.169 438 HB3 PHE 55 HB1 PHE 55 4.014 -5.717 3.031 439 HD1 PHE 55 HD1 PHE 55 7.237 -4.351 4.216 440 HD2 PHE 55 HD2 PHE 55 5.349 -7.203 1.668 441 HE1 PHE 55 HE1 PHE 55 9.387 -5.502 3.907 442 HE2 PHE 55 HE2 PHE 55 7.502 -8.352 1.364 443 HZ PHE 55 HZ PHE 55 9.522 -7.500 2.479 444 H TYR 56 HN TYR 56 2.504 -4.733 0.909 445 HA TYR 56 HA TYR 56 3.852 -5.966 -1.303 446 HB2 TYR 56 HB2 TYR 56 0.903 -5.362 -0.911 447 HB3 TYR 56 HB1 TYR 56 1.559 -6.352 -2.211 448 HD1 TYR 56 HD2 TYR 56 3.196 -8.321 -1.285 449 HD2 TYR 56 HD1 TYR 56 0.011 -6.514 0.904 450 HE1 TYR 56 HE2 TYR 56 3.060 -10.303 0.155 451 HE2 TYR 56 HE1 TYR 56 -0.123 -8.499 2.345 452 HH TYR 56 HH TYR 56 1.967 -10.511 2.909 453 H LEU 57 HN LEU 57 2.331 -2.813 -0.811 454 HA LEU 57 HA LEU 57 2.222 -2.057 -3.567 455 HB2 LEU 57 HB2 LEU 57 1.144 -1.047 -1.278 456 HB3 LEU 57 HB1 LEU 57 2.450 0.091 -1.521 457 HG LEU 57 HG LEU 57 0.405 -0.514 -3.667 458 HD11 LEU 57 HD11 LEU 57 0.293 1.728 -1.647 459 HD12 LEU 57 HD12 LEU 57 -0.752 0.308 -1.651 460 HD13 LEU 57 HD13 LEU 57 -0.827 1.459 -2.984 461 HD21 LEU 57 HD21 LEU 57 2.341 1.773 -3.260 462 HD22 LEU 57 HD22 LEU 57 1.102 1.717 -4.514 463 HD23 LEU 57 HD23 LEU 57 2.408 0.536 -4.516 464 H GLY 58 HN GLY 58 4.672 -1.734 -1.014 465 HA2 GLY 58 HA2 GLY 58 6.406 0.064 -2.380 466 HA3 GLY 58 HA1 GLY 58 6.824 -0.949 -1.013 467 H GLN 59 HN GLN 59 6.120 -3.474 -2.425 468 HA GLN 59 HA GLN 59 8.653 -4.014 -3.615 469 HB2 GLN 59 HB2 GLN 59 6.113 -5.624 -3.375 470 HB3 GLN 59 HB1 GLN 59 7.517 -6.245 -4.234 471 HG2 GLN 59 HG2 GLN 59 8.857 -6.000 -2.189 472 HG3 GLN 59 HG1 GLN 59 7.426 -5.432 -1.333 473 HE21 GLN 59 HE21 GLN 59 9.148 -8.191 -2.506 474 HE22 GLN 59 HE22 GLN 59 8.056 -9.387 -1.904 475 H TYR 60 HN TYR 60 5.504 -3.170 -4.995 476 HA TYR 60 HA TYR 60 6.098 -3.948 -7.685 477 HB2 TYR 60 HB2 TYR 60 3.790 -3.666 -6.780 478 HB3 TYR 60 HB1 TYR 60 4.043 -1.930 -6.726 479 HD1 TYR 60 HD2 TYR 60 4.367 -4.730 -9.226 480 HD2 TYR 60 HD1 TYR 60 3.124 -0.719 -8.488 481 HE1 TYR 60 HE2 TYR 60 3.560 -4.556 -11.537 482 HE2 TYR 60 HE1 TYR 60 2.314 -0.543 -10.800 483 HH TYR 60 HH TYR 60 3.124 -2.072 -13.162 484 H ILE 61 HN ILE 61 6.338 -0.838 -5.928 485 HA ILE 61 HA ILE 61 7.237 0.622 -8.243 486 HB ILE 61 HB ILE 61 7.696 2.497 -6.700 487 HG12 ILE 61 HG12 ILE 61 6.553 0.858 -4.423 488 HG13 ILE 61 HG11 ILE 61 8.286 0.927 -4.703 489 HG21 ILE 61 HG21 ILE 61 5.371 2.919 -6.046 490 HG22 ILE 61 HG22 ILE 61 4.986 1.216 -6.290 491 HG23 ILE 61 HG23 ILE 61 5.468 2.215 -7.659 492 HD11 ILE 61 HD11 ILE 61 8.333 3.276 -4.295 493 HD12 ILE 61 HD12 ILE 61 7.440 2.510 -2.982 494 HD13 ILE 61 HD13 ILE 61 6.572 3.359 -4.257 495 H MET 62 HN MET 62 8.838 -1.456 -5.999 496 HA MET 62 HA MET 62 11.480 -0.276 -6.343 497 HB2 MET 62 HB2 MET 62 10.925 -1.201 -4.168 498 HB3 MET 62 HB1 MET 62 10.531 -2.759 -4.876 499 HG2 MET 62 HG2 MET 62 12.806 -3.234 -5.345 500 HG3 MET 62 HG1 MET 62 13.303 -1.577 -5.020 501 HE1 MET 62 HE1 MET 62 12.432 -4.895 -1.983 502 HE2 MET 62 HE2 MET 62 12.273 -4.970 -3.741 503 HE3 MET 62 HE3 MET 62 11.032 -4.173 -2.774 504 H THR 63 HN THR 63 9.748 -3.250 -7.392 505 HA THR 63 HA THR 63 11.973 -4.386 -8.754 506 HB THR 63 HB THR 63 10.057 -5.733 -7.978 507 HG1 THR 63 HG1 THR 63 11.062 -6.906 -9.425 508 HG21 THR 63 HG21 THR 63 8.187 -4.270 -8.639 509 HG22 THR 63 HG22 THR 63 8.013 -5.918 -9.232 510 HG23 THR 63 HG23 THR 63 8.523 -4.639 -10.328 511 H LYS 64 HN LYS 64 9.583 -2.014 -9.803 512 HA LYS 64 HA LYS 64 10.318 -2.292 -12.617 513 HB2 LYS 64 HB2 LYS 64 8.415 -0.374 -11.251 514 HB3 LYS 64 HB1 LYS 64 8.674 -0.452 -12.985 515 HG2 LYS 64 HG2 LYS 64 7.674 -2.791 -11.363 516 HG3 LYS 64 HG1 LYS 64 6.608 -1.604 -12.105 517 HD2 LYS 64 HD2 LYS 64 8.648 -3.120 -13.733 518 HD3 LYS 64 HD1 LYS 64 7.066 -3.801 -13.374 519 HE2 LYS 64 HE2 LYS 64 7.373 -1.087 -14.649 520 HE3 LYS 64 HE1 LYS 64 7.357 -2.569 -15.600 521 HZ1 LYS 64 HZ1 LYS 64 5.167 -3.080 -14.639 522 HZ2 LYS 64 HZ2 LYS 64 5.160 -1.631 -15.508 523 HZ3 LYS 64 HZ3 LYS 64 5.183 -1.600 -13.819 524 H ARG 65 HN ARG 65 11.751 -0.717 -10.014 525 HA ARG 65 HA ARG 65 13.339 0.854 -9.768 526 HB2 ARG 65 HB2 ARG 65 13.606 0.589 -12.777 527 HB3 ARG 65 HB1 ARG 65 14.697 1.526 -11.776 528 HG2 ARG 65 HG2 ARG 65 15.871 -0.421 -11.976 529 HG3 ARG 65 HG1 ARG 65 15.007 -0.721 -10.472 530 HD2 ARG 65 HD2 ARG 65 13.709 -2.354 -11.386 531 HD3 ARG 65 HD1 ARG 65 13.655 -1.593 -12.975 532 HE ARG 65 HE ARG 65 15.546 -3.548 -12.036 533 HH11 ARG 65 HH11 ARG 65 15.122 -0.953 -14.422 534 HH12 ARG 65 HH12 ARG 65 16.299 -1.614 -15.503 535 HH21 ARG 65 HH21 ARG 65 17.095 -4.366 -13.482 536 HH22 ARG 65 HH22 ARG 65 17.414 -3.544 -14.973 537 H LEU 66 HN LEU 66 11.621 2.270 -9.026 538 HA LEU 66 HA LEU 66 11.083 4.542 -10.846 539 HB2 LEU 66 HB2 LEU 66 9.497 3.712 -8.407 540 HB3 LEU 66 HB1 LEU 66 9.118 5.042 -9.480 541 HG LEU 66 HG LEU 66 9.011 2.092 -10.167 542 HD11 LEU 66 HD11 LEU 66 6.699 2.221 -10.097 543 HD12 LEU 66 HD12 LEU 66 6.681 3.980 -10.198 544 HD13 LEU 66 HD13 LEU 66 7.181 3.189 -8.708 545 HD21 LEU 66 HD21 LEU 66 8.059 2.780 -12.326 546 HD22 LEU 66 HD22 LEU 66 9.711 3.354 -12.136 547 HD23 LEU 66 HD23 LEU 66 8.362 4.470 -11.924 548 H TYR 67 HN TYR 67 11.769 3.732 -7.407 549 HA TYR 67 HA TYR 67 12.579 6.473 -6.881 550 HB2 TYR 67 HB2 TYR 67 12.667 5.933 -4.596 551 HB3 TYR 67 HB1 TYR 67 11.315 5.004 -5.205 552 HD1 TYR 67 HD1 TYR 67 11.795 2.466 -5.730 553 HD2 TYR 67 HD2 TYR 67 14.294 4.906 -3.279 554 HE1 TYR 67 HE1 TYR 67 12.727 0.463 -4.670 555 HE2 TYR 67 HE2 TYR 67 15.225 2.895 -2.225 556 HH TYR 67 HH TYR 67 13.997 0.172 -2.050 557 H ASP 68 HN ASP 68 14.316 6.806 -8.245 558 HA ASP 68 HA ASP 68 16.606 5.037 -8.238 559 HB2 ASP 68 HB2 ASP 68 15.573 6.745 -10.114 560 HB3 ASP 68 HB1 ASP 68 16.901 7.718 -9.496 561 H GLU 69 HN GLU 69 18.881 6.264 -8.128 562 HA GLU 69 HA GLU 69 20.483 7.298 -6.916 563 HB2 GLU 69 HB2 GLU 69 18.373 9.141 -6.751 564 HB3 GLU 69 HB1 GLU 69 18.869 8.931 -5.085 565 HG2 GLU 69 HG2 GLU 69 20.854 9.533 -7.260 566 HG3 GLU 69 HG1 GLU 69 19.933 10.804 -6.464 567 H LYS 70 HN LYS 70 21.621 6.904 -5.008 568 HA LYS 70 HA LYS 70 20.700 4.717 -3.426 569 HB2 LYS 70 HB2 LYS 70 22.829 4.908 -2.216 570 HB3 LYS 70 HB1 LYS 70 23.055 4.945 -3.955 571 HG2 LYS 70 HG2 LYS 70 22.979 7.601 -3.465 572 HG3 LYS 70 HG1 LYS 70 23.583 7.030 -1.915 573 HD2 LYS 70 HD2 LYS 70 25.522 7.459 -3.151 574 HD3 LYS 70 HD1 LYS 70 25.324 5.715 -3.277 575 HE2 LYS 70 HE2 LYS 70 23.953 7.108 -5.440 576 HE3 LYS 70 HE1 LYS 70 25.659 7.535 -5.371 577 HZ1 LYS 70 HZ1 LYS 70 26.268 5.258 -5.585 578 HZ2 LYS 70 HZ2 LYS 70 25.134 5.587 -6.793 579 HZ3 LYS 70 HZ3 LYS 70 24.668 4.733 -5.412 580 H GLN 71 HN GLN 71 20.899 8.209 -2.783 581 HA GLN 71 HA GLN 71 20.092 7.895 -0.000 582 HB2 GLN 71 HB2 GLN 71 20.543 10.383 -1.669 583 HB3 GLN 71 HB1 GLN 71 20.160 10.391 0.045 584 HG2 GLN 71 HG2 GLN 71 22.593 8.996 -1.058 585 HG3 GLN 71 HG1 GLN 71 22.593 10.697 -0.607 586 HE21 GLN 71 HE21 GLN 71 22.424 7.401 0.592 587 HE22 GLN 71 HE22 GLN 71 22.700 7.796 2.251 588 H GLN 72 HN GLN 72 18.490 8.304 -3.036 589 HA GLN 72 HA GLN 72 16.437 8.756 -3.751 590 HB2 GLN 72 HB2 GLN 72 14.539 7.718 -2.544 591 HB3 GLN 72 HB1 GLN 72 15.892 6.652 -2.830 592 HG2 GLN 72 HG2 GLN 72 15.115 6.104 -0.710 593 HG3 GLN 72 HG1 GLN 72 16.555 7.051 -0.411 594 HE21 GLN 72 HE21 GLN 72 15.669 7.323 1.761 595 HE22 GLN 72 HE22 GLN 72 14.468 8.531 2.045 596 H HIS 73 HN HIS 73 14.896 10.296 -3.973 597 HA HIS 73 HA HIS 73 14.366 12.121 -1.725 598 HB2 HIS 73 HB2 HIS 73 16.286 12.951 -3.222 599 HB3 HIS 73 HB1 HIS 73 15.070 13.195 -4.469 600 HD1 HIS 73 HD1 HIS 73 13.408 15.165 -4.132 601 HD2 HIS 73 HD2 HIS 73 16.264 14.818 -1.128 602 HE1 HIS 73 HE1 HIS 73 13.300 17.323 -2.844 603 HE2 HIS 73 HE2 HIS 73 15.046 17.099 -1.043 604 H ILE 74 HN ILE 74 13.539 11.545 -5.199 605 HA ILE 74 HA ILE 74 10.689 11.788 -4.482 606 HB ILE 74 HB ILE 74 11.620 13.937 -5.450 607 HG12 ILE 74 HG12 ILE 74 9.442 12.888 -7.251 608 HG13 ILE 74 HG11 ILE 74 9.151 13.081 -5.527 609 HG21 ILE 74 HG21 ILE 74 12.091 14.171 -7.770 610 HG22 ILE 74 HG22 ILE 74 11.634 12.501 -8.101 611 HG23 ILE 74 HG23 ILE 74 13.084 12.848 -7.160 612 HD11 ILE 74 HD11 ILE 74 8.396 15.081 -6.288 613 HD12 ILE 74 HD12 ILE 74 9.540 15.138 -7.628 614 HD13 ILE 74 HD13 ILE 74 10.079 15.509 -5.989 615 H VAL 75 HN VAL 75 9.194 10.681 -5.877 616 HA VAL 75 HA VAL 75 10.417 8.595 -7.588 617 HB VAL 75 HB VAL 75 8.626 7.049 -6.941 618 HG11 VAL 75 HG11 VAL 75 9.850 8.071 -4.391 619 HG12 VAL 75 HG12 VAL 75 10.802 7.264 -5.636 620 HG13 VAL 75 HG13 VAL 75 9.475 6.410 -4.853 621 HG21 VAL 75 HG21 VAL 75 6.813 8.572 -6.410 622 HG22 VAL 75 HG22 VAL 75 7.707 9.209 -5.032 623 HG23 VAL 75 HG23 VAL 75 7.140 7.542 -5.019 624 H TYR 76 HN TYR 76 9.073 7.749 -9.333 625 HA TYR 76 HA TYR 76 7.024 9.644 -10.329 626 HB2 TYR 76 HB2 TYR 76 9.248 8.327 -11.923 627 HB3 TYR 76 HB1 TYR 76 7.911 9.223 -12.636 628 HD1 TYR 76 HD2 TYR 76 7.747 11.694 -12.291 629 HD2 TYR 76 HD1 TYR 76 11.132 9.479 -10.936 630 HE1 TYR 76 HE2 TYR 76 9.026 13.779 -12.077 631 HE2 TYR 76 HE1 TYR 76 12.410 11.563 -10.721 632 HH TYR 76 HH TYR 76 11.399 14.329 -10.382 633 H CYS 77 HN CYS 77 5.598 8.672 -12.039 634 HA CYS 77 HA CYS 77 4.721 6.021 -11.204 635 HB2 CYS 77 HB2 CYS 77 2.720 6.445 -12.549 636 HB3 CYS 77 HB1 CYS 77 3.047 7.794 -11.476 637 HG CYS 77 HG CYS 77 2.389 8.753 -13.791 638 H SER 78 HN SER 78 3.938 4.442 -12.965 639 HA SER 78 HA SER 78 5.978 4.254 -15.107 640 HB2 SER 78 HB2 SER 78 6.044 2.570 -13.154 641 HB3 SER 78 HB1 SER 78 4.596 1.869 -13.872 642 HG SER 78 HG SER 78 5.752 1.092 -15.477 643 H ASN 79 HN ASN 79 3.311 5.551 -15.360 644 HA ASN 79 HA ASN 79 1.525 5.689 -16.747 645 HB2 ASN 79 HB2 ASN 79 3.243 3.886 -18.484 646 HB3 ASN 79 HB1 ASN 79 1.806 4.734 -19.043 647 HD21 ASN 79 HD21 ASN 79 1.849 7.080 -19.072 648 HD22 ASN 79 HD22 ASN 79 3.362 7.901 -19.224 649 H ASP 80 HN ASP 80 0.903 4.059 -14.735 650 HA ASP 80 HA ASP 80 -0.874 2.050 -15.953 651 HB2 ASP 80 HB2 ASP 80 1.044 1.542 -13.648 652 HB3 ASP 80 HB1 ASP 80 -0.309 0.484 -14.013 653 H LEU 81 HN LEU 81 -2.153 1.110 -13.652 654 HA LEU 81 HA LEU 81 -3.841 3.291 -12.983 655 HB2 LEU 81 HB2 LEU 81 -5.215 1.789 -11.840 656 HB3 LEU 81 HB1 LEU 81 -4.553 0.896 -13.179 657 HG LEU 81 HG LEU 81 -4.601 -0.650 -11.448 658 HD11 LEU 81 HD11 LEU 81 -2.335 -1.217 -10.857 659 HD12 LEU 81 HD12 LEU 81 -1.785 0.401 -11.286 660 HD13 LEU 81 HD13 LEU 81 -2.419 -0.676 -12.530 661 HD21 LEU 81 HD21 LEU 81 -5.007 1.161 -9.674 662 HD22 LEU 81 HD22 LEU 81 -3.260 1.122 -9.434 663 HD23 LEU 81 HD23 LEU 81 -4.215 -0.336 -9.185 664 H LEU 82 HN LEU 82 -0.810 2.676 -11.683 665 HA LEU 82 HA LEU 82 -1.073 3.069 -8.931 666 HB2 LEU 82 HB2 LEU 82 1.030 2.664 -10.624 667 HB3 LEU 82 HB1 LEU 82 1.273 4.352 -10.254 668 HG LEU 82 HG LEU 82 2.656 2.980 -8.831 669 HD11 LEU 82 HD11 LEU 82 2.093 3.831 -6.666 670 HD12 LEU 82 HD12 LEU 82 0.421 4.100 -7.153 671 HD13 LEU 82 HD13 LEU 82 1.714 5.052 -7.879 672 HD21 LEU 82 HD21 LEU 82 0.168 1.681 -7.723 673 HD22 LEU 82 HD22 LEU 82 1.845 1.325 -7.309 674 HD23 LEU 82 HD23 LEU 82 1.232 0.935 -8.914 675 H GLY 83 HN GLY 83 -1.148 5.456 -11.566 676 HA2 GLY 83 HA2 GLY 83 -0.797 7.816 -10.059 677 HA3 GLY 83 HA1 GLY 83 -1.587 7.703 -11.619 678 H ASP 84 HN ASP 84 -3.665 5.793 -10.411 679 HA ASP 84 HA ASP 84 -5.555 7.821 -9.629 680 HB2 ASP 84 HB2 ASP 84 -5.774 4.806 -9.824 681 HB3 ASP 84 HB1 ASP 84 -7.117 5.837 -9.343 682 H LEU 85 HN LEU 85 -3.509 5.577 -7.857 683 HA LEU 85 HA LEU 85 -5.000 5.559 -5.414 684 HB2 LEU 85 HB2 LEU 85 -2.064 4.980 -5.870 685 HB3 LEU 85 HB1 LEU 85 -2.957 4.597 -4.410 686 HG LEU 85 HG LEU 85 -3.739 3.431 -7.085 687 HD11 LEU 85 HD11 LEU 85 -1.864 2.131 -5.115 688 HD12 LEU 85 HD12 LEU 85 -1.351 2.913 -6.607 689 HD13 LEU 85 HD13 LEU 85 -2.398 1.501 -6.672 690 HD21 LEU 85 HD21 LEU 85 -4.859 1.754 -5.798 691 HD22 LEU 85 HD22 LEU 85 -5.340 3.324 -5.157 692 HD23 LEU 85 HD23 LEU 85 -4.151 2.348 -4.295 693 H PHE 86 HN PHE 86 -2.120 7.418 -6.481 694 HA PHE 86 HA PHE 86 -2.164 9.037 -4.049 695 HB2 PHE 86 HB2 PHE 86 -0.322 9.265 -6.444 696 HB3 PHE 86 HB1 PHE 86 -0.113 10.060 -4.894 697 HD1 PHE 86 HD1 PHE 86 -0.749 7.637 -3.104 698 HD2 PHE 86 HD2 PHE 86 1.702 8.079 -6.572 699 HE1 PHE 86 HE1 PHE 86 0.650 5.762 -2.359 700 HE2 PHE 86 HE2 PHE 86 3.094 6.203 -5.821 701 HZ PHE 86 HZ PHE 86 2.572 5.043 -3.715 702 H GLY 87 HN GLY 87 -2.551 9.547 -7.575 703 HA2 GLY 87 HA2 GLY 87 -4.024 11.052 -8.605 704 HA3 GLY 87 HA1 GLY 87 -4.278 11.851 -7.064 705 H VAL 88 HN VAL 88 -1.010 11.213 -8.172 706 HA VAL 88 HA VAL 88 -0.586 13.688 -9.528 707 HB VAL 88 HB VAL 88 -0.741 14.563 -7.219 708 HG11 VAL 88 HG11 VAL 88 1.665 12.870 -6.541 709 HG12 VAL 88 HG12 VAL 88 0.015 12.560 -6.004 710 HG13 VAL 88 HG13 VAL 88 0.848 14.022 -5.486 711 HG21 VAL 88 HG21 VAL 88 2.098 14.739 -8.235 712 HG22 VAL 88 HG22 VAL 88 1.282 15.882 -7.170 713 HG23 VAL 88 HG23 VAL 88 0.739 15.691 -8.834 714 HA PRO 89 HA PRO 89 2.635 10.947 -11.134 715 HB2 PRO 89 HB2 PRO 89 4.274 12.864 -12.290 716 HB3 PRO 89 HB1 PRO 89 2.846 12.156 -13.049 717 HG2 PRO 89 HG2 PRO 89 3.133 14.758 -11.607 718 HG3 PRO 89 HG1 PRO 89 2.227 14.386 -13.084 719 HD2 PRO 89 HD2 PRO 89 1.003 14.671 -10.722 720 HD3 PRO 89 HD1 PRO 89 0.446 13.479 -11.911 721 H SER 90 HN SER 90 3.748 13.934 -9.469 722 HA SER 90 HA SER 90 6.184 12.574 -8.549 723 HB2 SER 90 HB2 SER 90 6.832 14.839 -7.719 724 HB3 SER 90 HB1 SER 90 6.497 14.814 -9.448 725 HG SER 90 HG SER 90 5.072 16.017 -7.372 726 H PHE 91 HN PHE 91 6.217 11.574 -6.600 727 HA PHE 91 HA PHE 91 4.377 12.508 -4.478 728 HB2 PHE 91 HB2 PHE 91 3.899 10.238 -5.747 729 HB3 PHE 91 HB1 PHE 91 5.154 9.607 -4.693 730 HD1 PHE 91 HD1 PHE 91 2.122 11.800 -4.356 731 HD2 PHE 91 HD2 PHE 91 4.365 8.522 -2.800 732 HE1 PHE 91 HE1 PHE 91 0.436 11.482 -2.599 733 HE2 PHE 91 HE2 PHE 91 2.676 8.208 -1.042 734 HZ PHE 91 HZ PHE 91 0.712 9.688 -0.940 735 H SER 92 HN SER 92 5.040 12.111 -2.272 736 HA SER 92 HA SER 92 7.956 12.291 -1.925 737 HB2 SER 92 HB2 SER 92 5.673 12.936 -0.026 738 HB3 SER 92 HB1 SER 92 7.383 13.132 0.360 739 HG SER 92 HG SER 92 7.521 14.807 -0.984 740 H VAL 93 HN VAL 93 9.021 10.438 -1.438 741 HA VAL 93 HA VAL 93 7.604 8.234 -0.124 742 HB VAL 93 HB VAL 93 8.974 7.818 -2.191 743 HG11 VAL 93 HG11 VAL 93 11.408 8.058 -0.428 744 HG12 VAL 93 HG12 VAL 93 10.892 9.313 -1.554 745 HG13 VAL 93 HG13 VAL 93 11.347 7.721 -2.157 746 HG21 VAL 93 HG21 VAL 93 9.903 6.218 0.196 747 HG22 VAL 93 HG22 VAL 93 9.796 5.680 -1.480 748 HG23 VAL 93 HG23 VAL 93 8.327 6.031 -0.574 749 H LYS 94 HN LYS 94 10.146 10.588 0.606 750 HA LYS 94 HA LYS 94 11.127 9.233 2.935 751 HB2 LYS 94 HB2 LYS 94 12.340 11.316 3.442 752 HB3 LYS 94 HB1 LYS 94 12.592 10.769 1.797 753 HG2 LYS 94 HG2 LYS 94 10.451 12.584 1.644 754 HG3 LYS 94 HG1 LYS 94 11.589 13.306 2.775 755 HD2 LYS 94 HD2 LYS 94 12.284 12.328 -0.005 756 HD3 LYS 94 HD1 LYS 94 11.953 14.004 0.417 757 HE2 LYS 94 HE2 LYS 94 14.219 12.325 1.521 758 HE3 LYS 94 HE1 LYS 94 14.367 13.535 0.253 759 HZ1 LYS 94 HZ1 LYS 94 15.043 14.600 2.203 760 HZ2 LYS 94 HZ2 LYS 94 13.779 13.959 3.126 761 HZ3 LYS 94 HZ3 LYS 94 13.462 15.156 1.972 762 H GLU 95 HN GLU 95 8.544 11.600 2.406 763 HA GLU 95 HA GLU 95 8.127 12.088 5.242 764 HB2 GLU 95 HB2 GLU 95 6.363 12.791 2.868 765 HB3 GLU 95 HB1 GLU 95 6.141 13.371 4.513 766 HG2 GLU 95 HG2 GLU 95 8.608 13.935 2.873 767 HG3 GLU 95 HG1 GLU 95 7.197 14.986 2.902 768 H HIS 96 HN HIS 96 7.335 10.463 6.465 769 HA HIS 96 HA HIS 96 5.632 8.414 5.266 770 HB2 HIS 96 HB2 HIS 96 6.836 8.486 8.044 771 HB3 HIS 96 HB1 HIS 96 6.079 7.102 7.265 772 HD1 HIS 96 HD1 HIS 96 9.186 7.597 8.289 773 HD2 HIS 96 HD2 HIS 96 7.758 7.285 4.397 774 HE1 HIS 96 HE1 HIS 96 11.169 6.930 6.895 775 HE2 HIS 96 HE2 HIS 96 10.303 6.867 4.530 776 H ARG 97 HN ARG 97 5.365 10.909 7.802 777 HA ARG 97 HA ARG 97 2.810 9.964 8.722 778 HB2 ARG 97 HB2 ARG 97 2.743 11.932 10.142 779 HB3 ARG 97 HB1 ARG 97 4.300 11.138 10.250 780 HG2 ARG 97 HG2 ARG 97 5.170 13.185 10.016 781 HG3 ARG 97 HG1 ARG 97 4.773 13.027 8.308 782 HD2 ARG 97 HD2 ARG 97 2.728 14.238 8.596 783 HD3 ARG 97 HD1 ARG 97 2.877 14.190 10.352 784 HE ARG 97 HE ARG 97 5.123 15.506 9.259 785 HH11 ARG 97 HH11 ARG 97 1.667 16.099 9.753 786 HH12 ARG 97 HH12 ARG 97 1.867 17.815 9.837 787 HH21 ARG 97 HH21 ARG 97 5.342 17.764 9.383 788 HH22 ARG 97 HH22 ARG 97 3.945 18.758 9.629 789 H LYS 98 HN LYS 98 3.708 12.014 6.069 790 HA LYS 98 HA LYS 98 1.135 13.382 5.968 791 HB2 LYS 98 HB2 LYS 98 3.600 13.514 4.225 792 HB3 LYS 98 HB1 LYS 98 2.115 14.367 3.826 793 HG2 LYS 98 HG2 LYS 98 2.270 15.566 5.996 794 HG3 LYS 98 HG1 LYS 98 3.822 14.774 6.282 795 HD2 LYS 98 HD2 LYS 98 4.770 15.841 4.319 796 HD3 LYS 98 HD1 LYS 98 3.208 16.547 3.908 797 HE2 LYS 98 HE2 LYS 98 4.376 18.303 4.918 798 HE3 LYS 98 HE1 LYS 98 3.335 17.698 6.205 799 HZ1 LYS 98 HZ1 LYS 98 6.223 17.073 5.853 800 HZ2 LYS 98 HZ2 LYS 98 5.234 16.438 7.070 801 HZ3 LYS 98 HZ3 LYS 98 5.558 18.096 7.023 802 H ILE 99 HN ILE 99 2.820 10.831 4.087 803 HA ILE 99 HA ILE 99 0.692 10.691 2.141 804 HB ILE 99 HB ILE 99 1.879 8.878 1.079 805 HG12 ILE 99 HG12 ILE 99 3.963 8.962 3.287 806 HG13 ILE 99 HG11 ILE 99 2.697 7.749 3.218 807 HG21 ILE 99 HG21 ILE 99 2.580 11.227 0.712 808 HG22 ILE 99 HG22 ILE 99 3.866 10.058 0.433 809 HG23 ILE 99 HG23 ILE 99 3.848 11.004 1.918 810 HD11 ILE 99 HD11 ILE 99 4.871 8.181 1.179 811 HD12 ILE 99 HD12 ILE 99 3.558 7.014 1.026 812 HD13 ILE 99 HD13 ILE 99 4.738 6.848 2.321 813 H TYR 100 HN TYR 100 1.238 9.074 5.196 814 HA TYR 100 HA TYR 100 -0.300 6.734 4.678 815 HB2 TYR 100 HB2 TYR 100 1.208 7.689 6.853 816 HB3 TYR 100 HB1 TYR 100 -0.420 7.527 7.486 817 HD1 TYR 100 HD2 TYR 100 -1.585 5.171 6.635 818 HD2 TYR 100 HD1 TYR 100 2.591 5.855 7.177 819 HE1 TYR 100 HE2 TYR 100 -1.224 2.759 6.919 820 HE2 TYR 100 HE1 TYR 100 2.950 3.441 7.461 821 HH TYR 100 HH TYR 100 1.257 1.196 6.509 822 H THR 101 HN THR 101 -1.238 10.020 5.528 823 HA THR 101 HA THR 101 -3.885 9.424 6.434 824 HB THR 101 HB THR 101 -3.018 12.061 5.212 825 HG1 THR 101 HG1 THR 101 -1.498 11.949 6.690 826 HG21 THR 101 HG21 THR 101 -4.942 11.432 7.447 827 HG22 THR 101 HG22 THR 101 -5.361 11.987 5.826 828 HG23 THR 101 HG23 THR 101 -4.471 13.047 6.918 829 H MET 102 HN MET 102 -2.472 10.189 3.253 830 HA MET 102 HA MET 102 -4.931 10.422 1.813 831 HB2 MET 102 HB2 MET 102 -2.131 9.769 0.839 832 HB3 MET 102 HB1 MET 102 -3.490 10.097 -0.224 833 HG2 MET 102 HG2 MET 102 -2.612 12.096 1.840 834 HG3 MET 102 HG1 MET 102 -1.807 11.979 0.281 835 HE1 MET 102 HE1 MET 102 -2.391 13.740 -1.421 836 HE2 MET 102 HE2 MET 102 -4.011 13.794 -2.115 837 HE3 MET 102 HE3 MET 102 -3.127 12.269 -2.055 838 H ILE 103 HN ILE 103 -2.770 7.710 2.565 839 HA ILE 103 HA ILE 103 -4.092 5.760 0.921 840 HB ILE 103 HB ILE 103 -2.170 5.437 3.253 841 HG12 ILE 103 HG12 ILE 103 -1.553 4.938 0.332 842 HG13 ILE 103 HG11 ILE 103 -1.418 6.548 1.025 843 HG21 ILE 103 HG21 ILE 103 -3.252 3.323 1.389 844 HG22 ILE 103 HG22 ILE 103 -3.375 3.376 3.143 845 HG23 ILE 103 HG23 ILE 103 -1.814 3.098 2.382 846 HD11 ILE 103 HD11 ILE 103 0.732 5.448 0.961 847 HD12 ILE 103 HD12 ILE 103 0.100 4.108 1.914 848 HD13 ILE 103 HD13 ILE 103 0.229 5.714 2.630 849 H TYR 104 HN TYR 104 -4.418 6.840 4.292 850 HA TYR 104 HA TYR 104 -6.156 4.749 5.163 851 HB2 TYR 104 HB2 TYR 104 -4.758 6.174 6.676 852 HB3 TYR 104 HB1 TYR 104 -5.834 7.524 6.345 853 HD1 TYR 104 HD2 TYR 104 -5.711 4.108 7.845 854 HD2 TYR 104 HD1 TYR 104 -7.847 7.791 7.590 855 HE1 TYR 104 HE2 TYR 104 -7.160 3.397 9.697 856 HE2 TYR 104 HE1 TYR 104 -9.295 7.081 9.442 857 HH TYR 104 HH TYR 104 -8.777 5.130 11.550 858 H ARG 105 HN ARG 105 -6.747 7.683 3.336 859 HA ARG 105 HA ARG 105 -9.622 7.655 3.917 860 HB2 ARG 105 HB2 ARG 105 -7.861 9.590 2.392 861 HB3 ARG 105 HB1 ARG 105 -9.610 9.749 2.468 862 HG2 ARG 105 HG2 ARG 105 -7.964 9.622 4.980 863 HG3 ARG 105 HG1 ARG 105 -8.151 11.128 4.086 864 HD2 ARG 105 HD2 ARG 105 -10.460 9.460 5.087 865 HD3 ARG 105 HD1 ARG 105 -9.766 10.811 5.976 866 HE ARG 105 HE ARG 105 -10.423 11.788 3.464 867 HH11 ARG 105 HH11 ARG 105 -12.206 10.415 6.196 868 HH12 ARG 105 HH12 ARG 105 -13.653 11.284 5.825 869 HH21 ARG 105 HH21 ARG 105 -12.345 12.918 3.012 870 HH22 ARG 105 HH22 ARG 105 -13.734 12.701 4.023 871 H ASN 106 HN ASN 106 -8.183 5.542 2.138 872 HA ASN 106 HA ASN 106 -10.131 5.669 -0.063 873 HB2 ASN 106 HB2 ASN 106 -7.137 5.403 -0.360 874 HB3 ASN 106 HB1 ASN 106 -8.225 4.761 -1.585 875 HD21 ASN 106 HD21 ASN 106 -9.002 6.131 -3.120 876 HD22 ASN 106 HD22 ASN 106 -8.777 7.843 -3.097 877 H LEU 107 HN LEU 107 -9.395 3.894 2.519 878 HA LEU 107 HA LEU 107 -9.993 1.356 1.150 879 HB2 LEU 107 HB2 LEU 107 -8.400 0.106 2.287 880 HB3 LEU 107 HB1 LEU 107 -7.549 1.552 1.827 881 HG LEU 107 HG LEU 107 -6.734 1.095 3.952 882 HD11 LEU 107 HD11 LEU 107 -7.348 2.858 5.388 883 HD12 LEU 107 HD12 LEU 107 -8.958 2.978 4.685 884 HD13 LEU 107 HD13 LEU 107 -7.547 3.449 3.740 885 HD21 LEU 107 HD21 LEU 107 -7.810 0.147 5.752 886 HD22 LEU 107 HD22 LEU 107 -8.644 -0.606 4.395 887 HD23 LEU 107 HD23 LEU 107 -9.398 0.730 5.262 888 H VAL 108 HN VAL 108 -10.849 -0.360 2.675 889 HA VAL 108 HA VAL 108 -12.736 0.893 4.575 890 HB VAL 108 HB VAL 108 -13.739 -0.287 2.611 891 HG11 VAL 108 HG11 VAL 108 -12.800 -2.864 3.869 892 HG12 VAL 108 HG12 VAL 108 -12.071 -2.129 2.442 893 HG13 VAL 108 HG13 VAL 108 -13.746 -2.668 2.394 894 HG21 VAL 108 HG21 VAL 108 -15.001 0.028 4.696 895 HG22 VAL 108 HG22 VAL 108 -14.443 -1.545 5.267 896 HG23 VAL 108 HG23 VAL 108 -15.482 -1.441 3.845 897 H VAL 109 HN VAL 109 -12.761 0.327 6.694 898 HA VAL 109 HA VAL 109 -10.902 -1.798 7.596 899 HB VAL 109 HB VAL 109 -10.816 -0.568 9.795 900 HG11 VAL 109 HG11 VAL 109 -9.777 1.014 7.447 901 HG12 VAL 109 HG12 VAL 109 -9.015 -0.427 8.121 902 HG13 VAL 109 HG13 VAL 109 -9.155 1.033 9.098 903 HG21 VAL 109 HG21 VAL 109 -12.062 1.733 8.270 904 HG22 VAL 109 HG22 VAL 109 -11.446 1.772 9.921 905 HG23 VAL 109 HG23 VAL 109 -12.862 0.799 9.536 906 H VAL 110 HN VAL 110 -11.523 -3.196 9.285 907 HA VAL 110 HA VAL 110 -14.419 -3.591 9.525 908 HB VAL 110 HB VAL 110 -12.229 -5.441 10.540 909 HG11 VAL 110 HG11 VAL 110 -13.995 -7.172 10.439 910 HG12 VAL 110 HG12 VAL 110 -15.163 -5.926 10.002 911 HG13 VAL 110 HG13 VAL 110 -14.375 -5.883 11.578 912 HG21 VAL 110 HG21 VAL 110 -12.505 -6.765 8.520 913 HG22 VAL 110 HG22 VAL 110 -12.011 -5.129 8.101 914 HG23 VAL 110 HG23 VAL 110 -13.690 -5.617 7.899 915 H ASN 111 HN ASN 111 -11.625 -3.740 11.815 916 HA ASN 111 HA ASN 111 -13.073 -2.114 13.763 917 HB2 ASN 111 HB2 ASN 111 -12.382 -5.021 14.207 918 HB3 ASN 111 HB1 ASN 111 -12.447 -3.906 15.572 919 HD21 ASN 111 HD21 ASN 111 -14.485 -2.873 16.062 920 HD22 ASN 111 HD22 ASN 111 -15.963 -3.619 15.573 921 H GLN 112 HN GLN 112 -11.704 -0.825 14.926 922 HA GLN 112 HA GLN 112 -8.888 -0.871 14.306 923 HB2 GLN 112 HB2 GLN 112 -10.621 0.954 15.966 924 HB3 GLN 112 HB1 GLN 112 -8.869 1.124 15.958 925 HG2 GLN 112 HG2 GLN 112 -9.010 1.326 13.452 926 HG3 GLN 112 HG1 GLN 112 -10.760 1.431 13.636 927 HE21 GLN 112 HE21 GLN 112 -11.671 3.349 14.367 928 HE22 GLN 112 HE22 GLN 112 -10.748 4.784 14.629 929 H GLN 113 HN GLN 113 -10.606 -2.616 16.618 930 HA GLN 113 HA GLN 113 -10.004 -3.920 18.348 931 HB2 GLN 113 HB2 GLN 113 -7.545 -3.590 16.944 932 HB3 GLN 113 HB1 GLN 113 -7.170 -3.412 18.648 933 HG2 GLN 113 HG2 GLN 113 -6.878 -5.669 18.298 934 HG3 GLN 113 HG1 GLN 113 -8.515 -5.606 18.946 935 HE21 GLN 113 HE21 GLN 113 -10.290 -5.985 17.514 936 HE22 GLN 113 HE22 GLN 113 -10.053 -6.765 15.991 937 H GLU 114 HN GLU 114 -10.281 -3.630 20.469 938 HA GLU 114 HA GLU 114 -9.216 -1.208 21.781 939 HB2 GLU 114 HB2 GLU 114 -11.392 -0.934 22.962 940 HB3 GLU 114 HB1 GLU 114 -11.530 -0.718 21.226 941 HG2 GLU 114 HG2 GLU 114 -12.441 -2.999 21.028 942 HG3 GLU 114 HG1 GLU 114 -12.340 -3.179 22.777 943 H SER 115 HN SER 115 -9.959 -1.551 24.364 944 HA SER 115 HA SER 115 -8.401 -3.845 25.195 945 HB2 SER 115 HB2 SER 115 -8.781 -2.933 27.504 946 HB3 SER 115 HB1 SER 115 -8.083 -1.760 26.388 947 HG SER 115 HG SER 115 -9.874 -0.602 26.459 948 H SER 116 HN SER 116 -10.074 -5.319 24.112 949 HA SER 116 HA SER 116 -11.739 -6.537 26.147 950 HB2 SER 116 HB2 SER 116 -13.004 -5.464 23.599 951 HB3 SER 116 HB1 SER 116 -13.809 -6.517 24.759 952 HG SER 116 HG SER 116 -13.952 -4.893 26.167 953 H ASP 117 HN ASP 117 -12.895 -8.563 25.130 954 HA ASP 117 HA ASP 117 -12.817 -10.549 24.063 955 HB2 ASP 117 HB2 ASP 117 -12.609 -8.950 22.006 956 HB3 ASP 117 HB1 ASP 117 -10.936 -9.489 21.956 957 H SER 118 HN SER 118 -11.633 -12.459 24.136 958 HA SER 118 HA SER 118 -8.900 -12.239 25.241 959 HB2 SER 118 HB2 SER 118 -10.642 -13.273 26.705 960 HB3 SER 118 HB1 SER 118 -10.841 -14.554 25.509 961 HG SER 118 HG SER 118 -8.932 -15.377 26.055 962 H GLY 119 HN GLY 119 -10.879 -14.342 23.088 963 HA2 GLY 119 HA2 GLY 119 -10.038 -14.859 20.862 964 HA3 GLY 119 HA1 GLY 119 -8.421 -14.941 21.538 965 H THR 120 HN THR 120 -11.305 -16.687 20.828 966 HA THR 120 HA THR 120 -10.552 -19.026 22.430 967 HB THR 120 HB THR 120 -12.688 -20.000 21.491 968 HG1 THR 120 HG1 THR 120 -13.204 -18.980 19.689 969 HG21 THR 120 HG21 THR 120 -14.206 -18.746 22.807 970 HG22 THR 120 HG22 THR 120 -13.180 -17.315 22.750 971 HG23 THR 120 HG23 THR 120 -12.659 -18.739 23.651 972 H SER 121 HN SER 121 -10.874 -21.235 21.181 973 HA SER 121 HA SER 121 -8.786 -21.450 19.273 974 HB2 SER 121 HB2 SER 121 -9.500 -23.280 20.842 975 HB3 SER 121 HB1 SER 121 -10.928 -23.522 19.835 976 HG SER 121 HG SER 121 -9.136 -24.927 19.328 977 H VAL 122 HN VAL 122 -8.888 -22.243 17.072 978 HA VAL 122 HA VAL 122 -10.818 -20.842 15.485 979 HB VAL 122 HB VAL 122 -8.411 -21.134 14.848 980 HG11 VAL 122 HG11 VAL 122 -9.159 -23.927 13.975 981 HG12 VAL 122 HG12 VAL 122 -8.217 -23.550 15.418 982 HG13 VAL 122 HG13 VAL 122 -7.588 -23.137 13.826 983 HG21 VAL 122 HG21 VAL 122 -10.147 -20.420 13.225 984 HG22 VAL 122 HG22 VAL 122 -10.315 -22.099 12.711 985 HG23 VAL 122 HG23 VAL 122 -8.785 -21.252 12.476 986 H SER 123 HN SER 123 -12.336 -21.680 13.977 987 HA SER 123 HA SER 123 -13.692 -24.090 14.850 988 HB2 SER 123 HB2 SER 123 -15.453 -23.416 13.275 989 HB3 SER 123 HB1 SER 123 -14.965 -22.052 14.277 990 HG SER 123 HG SER 123 -14.139 -21.071 12.569 991 H GLU 124 HN GLU 124 -14.735 -25.381 12.774 992 HA GLU 124 HA GLU 124 -12.650 -26.979 11.748 993 HB2 GLU 124 HB2 GLU 124 -15.555 -26.767 10.909 994 HB3 GLU 124 HB1 GLU 124 -14.459 -27.994 10.291 995 HG2 GLU 124 HG2 GLU 124 -14.951 -27.677 13.242 996 HG3 GLU 124 HG1 GLU 124 -16.042 -28.608 12.218 997 H ASN 125 HN ASN 125 -12.063 -27.405 9.495 998 HA ASN 125 HA ASN 125 -11.468 -24.986 8.061 999 HB2 ASN 125 HB2 ASN 125 -10.306 -26.457 6.443 1000 HB3 ASN 125 HB1 ASN 125 -9.829 -26.786 8.101 1001 HD21 ASN 125 HD21 ASN 125 -11.482 -28.029 5.284 1002 HD22 ASN 125 HD22 ASN 125 -11.637 -29.651 5.854 1003 H1 13Q 201 HAL 13Q 999 8.941 3.939 0.896 1004 H2 13Q 201 HAJ 13Q 999 7.105 4.158 -0.756 1005 H3 13Q 201 HAI 13Q 999 5.120 0.779 1.002 1006 H4 13Q 201 HAK 13Q 999 6.948 0.571 2.666 1007 H5 13Q 201 HBB 13Q 999 8.911 1.207 3.383 1008 H6 13Q 201 HAZ 13Q 999 12.606 3.117 3.960 1009 H8 13Q 201 HAT 13Q 999 10.678 2.177 4.910 1010 H7 13Q 201 HAU 13Q 999 10.632 3.996 5.137 1011 H9 13Q 201 HBA 13Q 999 9.273 4.189 3.062 1012 H10 13Q 201 HAH 13Q 999 8.782 1.764 5.794 1013 H11 13Q 201 HAM 13Q 999 7.216 4.964 3.392 1014 H12 13Q 201 HAG 13Q 999 5.071 3.639 6.870 1015 H13 13Q 201 HAF 13Q 999 6.840 1.959 7.321 1016 H15 13Q 201 HAV 13Q 999 11.287 0.051 1.295 1017 H14 13Q 201 HAW 13Q 999 9.526 0.105 1.138 1018 H16 13Q 201 HAY 13Q 999 11.168 2.142 -0.441 1019 H18 13Q 201 HAN 13Q 999 9.161 1.434 -2.282 1020 H17 13Q 201 HAO 13Q 999 8.560 0.499 -0.884 1021 H20 13Q 201 HAP 13Q 999 11.321 0.451 -2.326 1022 H19 13Q 201 HAQ 13Q 999 10.646 -0.844 -1.216 1023 H22 13Q 201 HAR 13Q 999 11.807 5.500 3.659 1024 H21 13Q 201 HAS 13Q 999 10.828 4.881 2.236 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -19.305 -7.322 11.967 2 H2 MET 1 HT2 MET 1 -18.550 -8.355 10.822 3 H3 MET 1 HT3 MET 1 -19.102 -6.804 10.345 4 HA MET 1 HA MET 1 -16.800 -6.676 10.548 5 HB2 MET 1 HB2 MET 1 -18.343 -5.436 12.831 6 HB3 MET 1 HB1 MET 1 -16.642 -5.073 12.569 7 HG2 MET 1 HG2 MET 1 -17.242 -4.324 10.255 8 HG3 MET 1 HG1 MET 1 -18.936 -4.518 10.695 9 HE1 MET 1 HE1 MET 1 -19.625 -3.306 13.322 10 HE2 MET 1 HE2 MET 1 -20.327 -2.759 11.799 11 HE3 MET 1 HE3 MET 1 -19.722 -1.581 12.963 12 H CYS 2 HN CYS 2 -18.163 -8.701 13.047 13 HA CYS 2 HA CYS 2 -15.705 -8.958 14.564 14 HB2 CYS 2 HB2 CYS 2 -18.347 -10.436 14.697 15 HB3 CYS 2 HB1 CYS 2 -16.984 -10.807 15.746 16 HG CYS 2 HG CYS 2 -18.381 -9.199 17.111 17 H ASN 3 HN ASN 3 -14.042 -9.855 13.439 18 HA ASN 3 HA ASN 3 -14.299 -12.633 12.559 19 HB2 ASN 3 HB2 ASN 3 -14.716 -10.986 10.590 20 HB3 ASN 3 HB1 ASN 3 -12.994 -10.648 10.683 21 HD21 ASN 3 HD21 ASN 3 -11.752 -11.855 9.366 22 HD22 ASN 3 HD22 ASN 3 -12.162 -13.419 8.757 23 H THR 4 HN THR 4 -12.362 -13.812 12.631 24 HA THR 4 HA THR 4 -9.963 -12.403 13.647 25 HB THR 4 HB THR 4 -9.506 -14.452 15.043 26 HG1 THR 4 HG1 THR 4 -12.215 -15.113 14.471 27 HG21 THR 4 HG21 THR 4 -11.054 -13.980 16.843 28 HG22 THR 4 HG22 THR 4 -12.092 -13.073 15.742 29 HG23 THR 4 HG23 THR 4 -10.473 -12.480 16.117 30 H ASN 5 HN ASN 5 -8.016 -12.988 12.785 31 HA ASN 5 HA ASN 5 -7.848 -15.330 11.006 32 HB2 ASN 5 HB2 ASN 5 -7.130 -12.484 10.243 33 HB3 ASN 5 HB1 ASN 5 -6.575 -13.891 9.342 34 HD21 ASN 5 HD21 ASN 5 -8.273 -15.315 8.420 35 HD22 ASN 5 HD22 ASN 5 -9.751 -14.586 7.902 36 H MET 6 HN MET 6 -5.689 -16.091 10.612 37 HA MET 6 HA MET 6 -3.874 -15.547 12.842 38 HB2 MET 6 HB2 MET 6 -3.823 -17.677 10.684 39 HB3 MET 6 HB1 MET 6 -2.606 -17.522 11.945 40 HG2 MET 6 HG2 MET 6 -4.317 -17.919 13.651 41 HG3 MET 6 HG1 MET 6 -5.540 -18.068 12.393 42 HE1 MET 6 HE1 MET 6 -1.953 -19.520 13.323 43 HE2 MET 6 HE2 MET 6 -2.431 -21.188 13.639 44 HE3 MET 6 HE3 MET 6 -3.091 -19.881 14.623 45 H SER 7 HN SER 7 -1.663 -14.988 12.589 46 HA SER 7 HA SER 7 -1.128 -13.331 10.240 47 HB2 SER 7 HB2 SER 7 0.403 -13.643 12.839 48 HB3 SER 7 HB1 SER 7 0.825 -12.516 11.548 49 HG SER 7 HG SER 7 -0.410 -11.468 13.122 50 H VAL 8 HN VAL 8 0.272 -13.845 8.625 51 HA VAL 8 HA VAL 8 2.357 -15.838 9.034 52 HB VAL 8 HB VAL 8 0.478 -17.241 8.377 53 HG11 VAL 8 HG11 VAL 8 -0.770 -17.072 6.393 54 HG12 VAL 8 HG12 VAL 8 0.298 -15.846 5.718 55 HG13 VAL 8 HG13 VAL 8 -0.750 -15.448 7.077 56 HG21 VAL 8 HG21 VAL 8 2.412 -17.045 6.066 57 HG22 VAL 8 HG22 VAL 8 1.483 -18.460 6.561 58 HG23 VAL 8 HG23 VAL 8 2.757 -17.833 7.606 59 HA PRO 9 HA PRO 9 3.952 -12.520 6.302 60 HB2 PRO 9 HB2 PRO 9 6.515 -12.555 7.117 61 HB3 PRO 9 HB1 PRO 9 5.233 -11.836 8.095 62 HG2 PRO 9 HG2 PRO 9 6.561 -14.497 8.381 63 HG3 PRO 9 HG1 PRO 9 6.084 -13.340 9.635 64 HD2 PRO 9 HD2 PRO 9 4.630 -15.579 8.931 65 HD3 PRO 9 HD1 PRO 9 3.954 -14.146 9.727 66 H THR 10 HN THR 10 5.313 -12.447 4.430 67 HA THR 10 HA THR 10 5.949 -15.095 3.313 68 HB THR 10 HB THR 10 5.885 -12.461 1.809 69 HG1 THR 10 HG1 THR 10 3.839 -12.565 2.444 70 HG21 THR 10 HG21 THR 10 5.500 -15.295 0.854 71 HG22 THR 10 HG22 THR 10 6.906 -14.273 0.551 72 HG23 THR 10 HG23 THR 10 5.337 -13.842 -0.130 73 H ASP 11 HN ASP 11 7.430 -11.813 3.489 74 HA ASP 11 HA ASP 11 10.109 -13.082 3.437 75 HB2 ASP 11 HB2 ASP 11 9.176 -10.536 2.082 76 HB3 ASP 11 HB1 ASP 11 10.880 -10.899 2.341 77 H GLY 12 HN GLY 12 8.405 -10.052 4.398 78 HA2 GLY 12 HA2 GLY 12 9.528 -10.151 7.047 79 HA3 GLY 12 HA1 GLY 12 10.305 -8.939 6.041 80 H ALA 13 HN ALA 13 9.488 -7.432 7.697 81 HA ALA 13 HA ALA 13 6.736 -6.540 7.093 82 HB1 ALA 13 HB1 ALA 13 6.702 -7.754 9.222 83 HB2 ALA 13 HB2 ALA 13 6.342 -6.042 9.443 84 HB3 ALA 13 HB3 ALA 13 7.940 -6.671 9.859 85 H VAL 14 HN VAL 14 6.349 -4.282 7.326 86 HA VAL 14 HA VAL 14 8.778 -2.590 7.417 87 HB VAL 14 HB VAL 14 6.388 -2.542 5.590 88 HG11 VAL 14 HG11 VAL 14 7.939 -0.075 6.361 89 HG12 VAL 14 HG12 VAL 14 6.193 -0.324 6.409 90 HG13 VAL 14 HG13 VAL 14 7.022 -0.213 4.859 91 HG21 VAL 14 HG21 VAL 14 8.001 -2.269 3.856 92 HG22 VAL 14 HG22 VAL 14 8.611 -3.520 4.937 93 HG23 VAL 14 HG23 VAL 14 9.278 -1.890 5.013 94 H THR 15 HN THR 15 8.860 -1.111 8.999 95 HA THR 15 HA THR 15 6.403 0.005 10.151 96 HB THR 15 HB THR 15 6.948 -1.898 11.590 97 HG1 THR 15 HG1 THR 15 6.446 -0.736 13.260 98 HG21 THR 15 HG21 THR 15 8.928 -2.099 12.882 99 HG22 THR 15 HG22 THR 15 9.566 -0.575 12.267 100 HG23 THR 15 HG23 THR 15 9.414 -1.967 11.193 101 H THR 16 HN THR 16 6.631 2.081 11.068 102 HA THR 16 HA THR 16 9.285 3.356 10.914 103 HB THR 16 HB THR 16 6.804 4.731 9.851 104 HG1 THR 16 HG1 THR 16 8.728 3.276 8.338 105 HG21 THR 16 HG21 THR 16 9.587 5.537 10.132 106 HG22 THR 16 HG22 THR 16 8.148 6.500 9.790 107 HG23 THR 16 HG23 THR 16 8.997 5.685 8.476 108 H SER 17 HN SER 17 9.553 5.225 12.250 109 HA SER 17 HA SER 17 8.287 5.088 14.778 110 HB2 SER 17 HB2 SER 17 10.105 7.185 13.574 111 HB3 SER 17 HB1 SER 17 9.564 7.219 15.253 112 HG SER 17 HG SER 17 11.407 6.109 15.382 113 H GLN 18 HN GLN 18 7.656 7.218 11.990 114 HA GLN 18 HA GLN 18 6.034 9.119 13.345 115 HB2 GLN 18 HB2 GLN 18 6.457 8.371 10.472 116 HB3 GLN 18 HB1 GLN 18 5.051 9.345 10.868 117 HG2 GLN 18 HG2 GLN 18 6.722 10.863 10.254 118 HG3 GLN 18 HG1 GLN 18 6.619 10.957 12.009 119 HE21 GLN 18 HE21 GLN 18 8.459 10.661 13.176 120 HE22 GLN 18 HE22 GLN 18 9.960 10.119 12.517 121 H ILE 19 HN ILE 19 5.048 6.369 11.240 122 HA ILE 19 HA ILE 19 2.543 6.142 12.797 123 HB ILE 19 HB ILE 19 2.745 5.794 9.776 124 HG12 ILE 19 HG12 ILE 19 1.242 7.982 11.267 125 HG13 ILE 19 HG11 ILE 19 2.867 8.203 10.636 126 HG21 ILE 19 HG21 ILE 19 1.079 4.307 10.693 127 HG22 ILE 19 HG22 ILE 19 0.255 5.638 9.889 128 HG23 ILE 19 HG23 ILE 19 0.373 5.611 11.649 129 HD11 ILE 19 HD11 ILE 19 1.256 9.150 9.130 130 HD12 ILE 19 HD12 ILE 19 0.399 7.613 9.022 131 HD13 ILE 19 HD13 ILE 19 2.033 7.761 8.371 132 HA PRO 20 HA PRO 20 4.771 2.071 12.741 133 HB2 PRO 20 HB2 PRO 20 4.620 1.511 15.374 134 HB3 PRO 20 HB1 PRO 20 5.806 2.646 14.726 135 HG2 PRO 20 HG2 PRO 20 3.217 3.193 16.109 136 HG3 PRO 20 HG1 PRO 20 4.777 4.013 16.285 137 HD2 PRO 20 HD2 PRO 20 2.679 4.946 14.756 138 HD3 PRO 20 HD1 PRO 20 4.378 5.396 14.519 139 H ALA 21 HN ALA 21 4.051 -0.094 14.002 140 HA ALA 21 HA ALA 21 1.496 -0.819 12.951 141 HB1 ALA 21 HB1 ALA 21 3.373 -2.375 12.987 142 HB2 ALA 21 HB2 ALA 21 1.977 -3.042 13.833 143 HB3 ALA 21 HB3 ALA 21 3.338 -2.390 14.750 144 H SER 22 HN SER 22 2.405 0.483 16.048 145 HA SER 22 HA SER 22 0.564 -0.711 17.785 146 HB2 SER 22 HB2 SER 22 2.425 0.846 18.458 147 HB3 SER 22 HB1 SER 22 1.436 2.191 17.893 148 HG SER 22 HG SER 22 1.126 0.567 20.139 149 H GLU 23 HN GLU 23 0.143 2.167 15.699 150 HA GLU 23 HA GLU 23 -2.679 2.400 16.427 151 HB2 GLU 23 HB2 GLU 23 -0.868 4.060 14.656 152 HB3 GLU 23 HB1 GLU 23 -2.592 4.362 14.790 153 HG2 GLU 23 HG2 GLU 23 -0.828 4.332 17.227 154 HG3 GLU 23 HG1 GLU 23 -0.965 5.761 16.206 155 H GLN 24 HN GLN 24 -0.675 1.456 13.636 156 HA GLN 24 HA GLN 24 -3.041 0.912 12.001 157 HB2 GLN 24 HB2 GLN 24 -0.099 1.153 11.455 158 HB3 GLN 24 HB1 GLN 24 -1.071 0.203 10.350 159 HG2 GLN 24 HG2 GLN 24 -0.625 2.683 9.818 160 HG3 GLN 24 HG1 GLN 24 -2.241 2.033 9.577 161 HE21 GLN 24 HE21 GLN 24 -3.817 3.373 10.243 162 HE22 GLN 24 HE22 GLN 24 -3.687 4.509 11.538 163 H GLU 25 HN GLU 25 -3.768 -0.772 13.492 164 HA GLU 25 HA GLU 25 -2.666 -3.400 12.752 165 HB2 GLU 25 HB2 GLU 25 -3.062 -4.201 15.112 166 HB3 GLU 25 HB1 GLU 25 -1.726 -3.079 14.932 167 HG2 GLU 25 HG2 GLU 25 -3.037 -1.278 15.849 168 HG3 GLU 25 HG1 GLU 25 -4.477 -2.293 15.890 169 H THR 26 HN THR 26 -4.784 -2.253 11.476 170 HA THR 26 HA THR 26 -7.175 -3.646 12.530 171 HB THR 26 HB THR 26 -7.159 -1.276 10.634 172 HG1 THR 26 HG1 THR 26 -6.459 -0.333 12.426 173 HG21 THR 26 HG21 THR 26 -9.458 -0.938 11.390 174 HG22 THR 26 HG22 THR 26 -9.357 -2.411 12.353 175 HG23 THR 26 HG23 THR 26 -9.255 -2.499 10.594 176 H LEU 27 HN LEU 27 -8.385 -4.938 11.126 177 HA LEU 27 HA LEU 27 -6.965 -6.017 8.851 178 HB2 LEU 27 HB2 LEU 27 -9.582 -6.670 10.192 179 HB3 LEU 27 HB1 LEU 27 -9.165 -7.406 8.657 180 HG LEU 27 HG LEU 27 -7.353 -7.632 11.068 181 HD11 LEU 27 HD11 LEU 27 -9.526 -8.515 11.725 182 HD12 LEU 27 HD12 LEU 27 -8.357 -9.819 11.522 183 HD13 LEU 27 HD13 LEU 27 -9.574 -9.523 10.277 184 HD21 LEU 27 HD21 LEU 27 -7.631 -9.292 8.550 185 HD22 LEU 27 HD22 LEU 27 -6.525 -9.630 9.884 186 HD23 LEU 27 HD23 LEU 27 -6.324 -8.167 8.923 187 H VAL 28 HN VAL 28 -7.709 -6.102 6.669 188 HA VAL 28 HA VAL 28 -9.775 -4.134 5.910 189 HB VAL 28 HB VAL 28 -8.391 -3.424 3.957 190 HG11 VAL 28 HG11 VAL 28 -7.024 -2.863 6.590 191 HG12 VAL 28 HG12 VAL 28 -8.522 -2.101 6.054 192 HG13 VAL 28 HG13 VAL 28 -7.031 -1.848 5.146 193 HG21 VAL 28 HG21 VAL 28 -6.854 -5.308 3.771 194 HG22 VAL 28 HG22 VAL 28 -6.147 -4.915 5.338 195 HG23 VAL 28 HG23 VAL 28 -5.951 -3.808 3.982 196 H ARG 29 HN ARG 29 -11.048 -4.659 4.148 197 HA ARG 29 HA ARG 29 -10.756 -7.410 3.123 198 HB2 ARG 29 HB2 ARG 29 -13.230 -5.661 3.039 199 HB3 ARG 29 HB1 ARG 29 -13.136 -7.374 2.664 200 HG2 ARG 29 HG2 ARG 29 -12.585 -6.226 5.405 201 HG3 ARG 29 HG1 ARG 29 -14.159 -6.816 4.883 202 HD2 ARG 29 HD2 ARG 29 -11.646 -8.491 4.902 203 HD3 ARG 29 HD1 ARG 29 -12.811 -8.456 6.219 204 HE ARG 29 HE ARG 29 -13.063 -9.821 3.699 205 HH11 ARG 29 HH11 ARG 29 -14.961 -8.448 6.356 206 HH12 ARG 29 HH12 ARG 29 -16.314 -9.482 6.065 207 HH21 ARG 29 HH21 ARG 29 -14.868 -11.152 3.340 208 HH22 ARG 29 HH22 ARG 29 -16.264 -11.017 4.356 209 HA PRO 30 HA PRO 30 -9.838 -5.795 -0.953 210 HB2 PRO 30 HB2 PRO 30 -10.454 -7.914 -2.520 211 HB3 PRO 30 HB1 PRO 30 -9.064 -7.914 -1.428 212 HG2 PRO 30 HG2 PRO 30 -11.774 -9.133 -1.038 213 HG3 PRO 30 HG1 PRO 30 -10.178 -9.817 -0.681 214 HD2 PRO 30 HD2 PRO 30 -11.781 -8.695 1.213 215 HD3 PRO 30 HD1 PRO 30 -10.010 -8.702 1.316 216 H LYS 31 HN LYS 31 -11.186 -4.122 -1.522 217 HA LYS 31 HA LYS 31 -13.512 -4.734 -3.151 218 HB2 LYS 31 HB2 LYS 31 -13.752 -3.519 -0.440 219 HB3 LYS 31 HB1 LYS 31 -14.734 -2.799 -1.707 220 HG2 LYS 31 HG2 LYS 31 -15.846 -4.879 -2.125 221 HG3 LYS 31 HG1 LYS 31 -14.756 -5.740 -1.039 222 HD2 LYS 31 HD2 LYS 31 -15.625 -4.510 0.867 223 HD3 LYS 31 HD1 LYS 31 -16.661 -3.550 -0.191 224 HE2 LYS 31 HE2 LYS 31 -16.877 -6.553 -0.101 225 HE3 LYS 31 HE1 LYS 31 -17.689 -5.545 1.093 226 HZ1 LYS 31 HZ1 LYS 31 -18.090 -5.416 -1.852 227 HZ2 LYS 31 HZ2 LYS 31 -18.849 -4.413 -0.721 228 HZ3 LYS 31 HZ3 LYS 31 -19.167 -6.073 -0.725 229 HA PRO 32 HA PRO 32 -12.632 -0.063 -3.895 230 HB2 PRO 32 HB2 PRO 32 -10.778 1.295 -2.431 231 HB3 PRO 32 HB1 PRO 32 -12.472 1.145 -1.957 232 HG2 PRO 32 HG2 PRO 32 -10.100 -0.409 -1.010 233 HG3 PRO 32 HG1 PRO 32 -11.435 0.282 -0.073 234 HD2 PRO 32 HD2 PRO 32 -11.329 -2.333 -0.734 235 HD3 PRO 32 HD1 PRO 32 -12.856 -1.451 -0.566 236 H LEU 33 HN LEU 33 -10.621 1.415 -4.638 237 HA LEU 33 HA LEU 33 -9.124 -0.178 -6.451 238 HB2 LEU 33 HB2 LEU 33 -9.989 2.261 -6.670 239 HB3 LEU 33 HB1 LEU 33 -8.525 2.718 -5.839 240 HG LEU 33 HG LEU 33 -8.639 2.884 -8.422 241 HD11 LEU 33 HD11 LEU 33 -6.599 3.172 -7.009 242 HD12 LEU 33 HD12 LEU 33 -6.298 2.606 -8.650 243 HD13 LEU 33 HD13 LEU 33 -6.227 1.474 -7.304 244 HD21 LEU 33 HD21 LEU 33 -7.885 -0.036 -8.291 245 HD22 LEU 33 HD22 LEU 33 -8.086 0.969 -9.727 246 HD23 LEU 33 HD23 LEU 33 -9.488 0.545 -8.746 247 H LEU 34 HN LEU 34 -8.322 1.080 -3.260 248 HA LEU 34 HA LEU 34 -5.513 1.086 -3.414 249 HB2 LEU 34 HB2 LEU 34 -7.223 1.839 -1.522 250 HB3 LEU 34 HB1 LEU 34 -6.841 0.274 -0.852 251 HG LEU 34 HG LEU 34 -5.486 1.911 0.241 252 HD11 LEU 34 HD11 LEU 34 -3.633 0.574 -1.723 253 HD12 LEU 34 HD12 LEU 34 -4.380 -0.251 -0.354 254 HD13 LEU 34 HD13 LEU 34 -3.276 1.095 -0.076 255 HD21 LEU 34 HD21 LEU 34 -3.972 3.430 -0.920 256 HD22 LEU 34 HD22 LEU 34 -5.641 3.693 -1.423 257 HD23 LEU 34 HD23 LEU 34 -4.531 2.816 -2.475 258 H LEU 35 HN LEU 35 -7.717 -1.601 -2.537 259 HA LEU 35 HA LEU 35 -5.555 -3.430 -2.004 260 HB2 LEU 35 HB2 LEU 35 -8.538 -3.819 -2.232 261 HB3 LEU 35 HB1 LEU 35 -7.445 -5.154 -1.960 262 HG LEU 35 HG LEU 35 -8.383 -4.593 0.145 263 HD11 LEU 35 HD11 LEU 35 -5.945 -5.056 0.156 264 HD12 LEU 35 HD12 LEU 35 -6.503 -4.094 1.523 265 HD13 LEU 35 HD13 LEU 35 -5.654 -3.317 0.186 266 HD21 LEU 35 HD21 LEU 35 -8.580 -2.461 1.104 267 HD22 LEU 35 HD22 LEU 35 -9.067 -2.250 -0.575 268 HD23 LEU 35 HD23 LEU 35 -7.464 -1.735 -0.054 269 H LYS 36 HN LYS 36 -6.957 -2.387 -4.955 270 HA LYS 36 HA LYS 36 -6.732 -4.861 -6.408 271 HB2 LYS 36 HB2 LYS 36 -7.467 -2.062 -7.059 272 HB3 LYS 36 HB1 LYS 36 -6.765 -2.978 -8.383 273 HG2 LYS 36 HG2 LYS 36 -8.484 -4.633 -8.258 274 HG3 LYS 36 HG1 LYS 36 -9.121 -3.937 -6.765 275 HD2 LYS 36 HD2 LYS 36 -9.837 -1.950 -7.921 276 HD3 LYS 36 HD1 LYS 36 -9.033 -2.463 -9.405 277 HE2 LYS 36 HE2 LYS 36 -10.594 -4.229 -9.739 278 HE3 LYS 36 HE1 LYS 36 -11.263 -4.035 -8.120 279 HZ1 LYS 36 HZ1 LYS 36 -11.482 -2.047 -10.323 280 HZ2 LYS 36 HZ2 LYS 36 -12.135 -1.876 -8.772 281 HZ3 LYS 36 HZ3 LYS 36 -12.713 -3.085 -9.802 282 H LEU 37 HN LEU 37 -4.444 -2.314 -5.621 283 HA LEU 37 HA LEU 37 -2.623 -2.766 -7.772 284 HB2 LEU 37 HB2 LEU 37 -2.715 -0.706 -6.330 285 HB3 LEU 37 HB1 LEU 37 -1.974 -1.627 -5.039 286 HG LEU 37 HG LEU 37 -0.547 -1.492 -7.679 287 HD11 LEU 37 HD11 LEU 37 -1.257 0.837 -7.206 288 HD12 LEU 37 HD12 LEU 37 0.490 0.613 -7.177 289 HD13 LEU 37 HD13 LEU 37 -0.407 0.751 -5.663 290 HD21 LEU 37 HD21 LEU 37 0.250 -1.770 -4.790 291 HD22 LEU 37 HD22 LEU 37 1.425 -1.315 -6.023 292 HD23 LEU 37 HD23 LEU 37 0.575 -2.852 -6.142 293 H LEU 38 HN LEU 38 -2.588 -3.876 -4.362 294 HA LEU 38 HA LEU 38 -0.259 -5.495 -4.682 295 HB2 LEU 38 HB2 LEU 38 -0.855 -6.428 -2.441 296 HB3 LEU 38 HB1 LEU 38 -0.645 -4.696 -2.511 297 HG LEU 38 HG LEU 38 -3.456 -5.439 -2.852 298 HD11 LEU 38 HD11 LEU 38 -2.133 -6.276 -0.269 299 HD12 LEU 38 HD12 LEU 38 -2.869 -7.351 -1.459 300 HD13 LEU 38 HD13 LEU 38 -3.870 -6.205 -0.568 301 HD21 LEU 38 HD21 LEU 38 -3.720 -3.812 -0.979 302 HD22 LEU 38 HD22 LEU 38 -2.806 -3.178 -2.345 303 HD23 LEU 38 HD23 LEU 38 -1.963 -3.694 -0.887 304 H LYS 39 HN LYS 39 -3.558 -6.123 -5.502 305 HA LYS 39 HA LYS 39 -3.543 -8.957 -5.133 306 HB2 LYS 39 HB2 LYS 39 -5.579 -7.401 -5.352 307 HB3 LYS 39 HB1 LYS 39 -5.312 -7.479 -7.087 308 HG2 LYS 39 HG2 LYS 39 -5.686 -9.860 -7.095 309 HG3 LYS 39 HG1 LYS 39 -5.778 -9.898 -5.335 310 HD2 LYS 39 HD2 LYS 39 -7.681 -8.196 -6.933 311 HD3 LYS 39 HD1 LYS 39 -7.973 -9.923 -6.742 312 HE2 LYS 39 HE2 LYS 39 -7.506 -8.118 -4.373 313 HE3 LYS 39 HE1 LYS 39 -9.102 -8.326 -5.085 314 HZ1 LYS 39 HZ1 LYS 39 -8.969 -10.694 -4.635 315 HZ2 LYS 39 HZ2 LYS 39 -8.751 -9.813 -3.209 316 HZ3 LYS 39 HZ3 LYS 39 -7.420 -10.516 -3.977 317 H SER 40 HN SER 40 -2.330 -6.887 -7.708 318 HA SER 40 HA SER 40 -2.205 -9.056 -9.653 319 HB2 SER 40 HB2 SER 40 -1.262 -6.184 -9.845 320 HB3 SER 40 HB1 SER 40 -1.254 -7.347 -11.170 321 HG SER 40 HG SER 40 -3.120 -6.091 -11.273 322 H VAL 41 HN VAL 41 0.085 -7.264 -7.573 323 HA VAL 41 HA VAL 41 2.454 -8.222 -8.797 324 HB VAL 41 HB VAL 41 3.663 -7.550 -6.738 325 HG11 VAL 41 HG11 VAL 41 3.258 -5.174 -6.930 326 HG12 VAL 41 HG12 VAL 41 1.693 -5.471 -7.688 327 HG13 VAL 41 HG13 VAL 41 3.179 -5.934 -8.519 328 HG21 VAL 41 HG21 VAL 41 2.359 -6.300 -4.968 329 HG22 VAL 41 HG22 VAL 41 2.157 -8.051 -4.961 330 HG23 VAL 41 HG23 VAL 41 0.900 -7.024 -5.642 331 H GLY 42 HN GLY 42 0.592 -9.557 -6.037 332 HA2 GLY 42 HA2 GLY 42 1.007 -12.200 -6.424 333 HA3 GLY 42 HA1 GLY 42 2.507 -11.716 -5.654 334 H ALA 43 HN ALA 43 -1.012 -11.163 -5.149 335 HA ALA 43 HA ALA 43 -0.642 -11.901 -2.303 336 HB1 ALA 43 HB1 ALA 43 -0.952 -9.466 -2.520 337 HB2 ALA 43 HB2 ALA 43 -2.279 -10.234 -1.649 338 HB3 ALA 43 HB3 ALA 43 -2.494 -9.744 -3.329 339 H GLN 44 HN GLN 44 -1.447 -13.945 -2.307 340 HA GLN 44 HA GLN 44 -4.019 -14.492 -3.629 341 HB2 GLN 44 HB2 GLN 44 -3.470 -16.852 -3.422 342 HB3 GLN 44 HB1 GLN 44 -2.162 -15.982 -4.199 343 HG2 GLN 44 HG2 GLN 44 -1.477 -15.996 -1.483 344 HG3 GLN 44 HG1 GLN 44 -2.154 -17.592 -1.785 345 HE21 GLN 44 HE21 GLN 44 0.470 -15.395 -2.498 346 HE22 GLN 44 HE22 GLN 44 1.476 -16.554 -3.292 347 H LYS 45 HN LYS 45 -3.381 -13.254 -0.736 348 HA LYS 45 HA LYS 45 -4.826 -15.092 0.991 349 HB2 LYS 45 HB2 LYS 45 -3.543 -12.390 1.396 350 HB3 LYS 45 HB1 LYS 45 -4.596 -13.074 2.625 351 HG2 LYS 45 HG2 LYS 45 -2.599 -15.007 1.793 352 HG3 LYS 45 HG1 LYS 45 -1.841 -13.498 2.293 353 HD2 LYS 45 HD2 LYS 45 -3.946 -14.836 3.988 354 HD3 LYS 45 HD1 LYS 45 -2.255 -15.322 4.071 355 HE2 LYS 45 HE2 LYS 45 -1.576 -13.196 4.863 356 HE3 LYS 45 HE1 LYS 45 -3.121 -12.458 4.441 357 HZ1 LYS 45 HZ1 LYS 45 -4.193 -13.697 6.180 358 HZ2 LYS 45 HZ2 LYS 45 -2.870 -12.874 6.837 359 HZ3 LYS 45 HZ3 LYS 45 -2.766 -14.535 6.541 360 H ASP 46 HN ASP 46 -6.816 -14.563 2.091 361 HA ASP 46 HA ASP 46 -8.743 -13.245 0.370 362 HB2 ASP 46 HB2 ASP 46 -9.034 -14.695 3.018 363 HB3 ASP 46 HB1 ASP 46 -10.390 -13.967 2.165 364 H THR 47 HN THR 47 -7.450 -12.705 3.670 365 HA THR 47 HA THR 47 -8.411 -9.909 3.536 366 HB THR 47 HB THR 47 -8.744 -10.009 6.022 367 HG1 THR 47 HG1 THR 47 -7.771 -11.704 6.852 368 HG21 THR 47 HG21 THR 47 -10.652 -10.375 4.420 369 HG22 THR 47 HG22 THR 47 -10.860 -11.046 6.038 370 HG23 THR 47 HG23 THR 47 -10.436 -12.105 4.692 371 H TYR 48 HN TYR 48 -6.943 -8.353 4.036 372 HA TYR 48 HA TYR 48 -4.258 -9.215 4.947 373 HB2 TYR 48 HB2 TYR 48 -4.643 -6.596 3.529 374 HB3 TYR 48 HB1 TYR 48 -3.248 -7.665 3.551 375 HD1 TYR 48 HD1 TYR 48 -3.403 -9.856 2.189 376 HD2 TYR 48 HD2 TYR 48 -6.150 -6.630 1.716 377 HE1 TYR 48 HE1 TYR 48 -4.050 -10.730 -0.014 378 HE2 TYR 48 HE2 TYR 48 -6.799 -7.500 -0.486 379 HH TYR 48 HH TYR 48 -5.290 -9.244 -2.302 380 H THR 49 HN THR 49 -3.012 -7.277 5.994 381 HA THR 49 HA THR 49 -4.778 -6.011 8.009 382 HB THR 49 HB THR 49 -2.627 -5.872 9.384 383 HG1 THR 49 HG1 THR 49 -0.875 -6.868 8.700 384 HG21 THR 49 HG21 THR 49 -2.663 -8.160 10.162 385 HG22 THR 49 HG22 THR 49 -3.546 -8.664 8.721 386 HG23 THR 49 HG23 THR 49 -4.305 -7.580 9.888 387 H MET 50 HN MET 50 -3.813 -3.903 8.933 388 HA MET 50 HA MET 50 -3.481 -2.040 6.785 389 HB2 MET 50 HB2 MET 50 -4.577 -1.728 9.168 390 HB3 MET 50 HB1 MET 50 -2.954 -1.273 9.644 391 HG2 MET 50 HG2 MET 50 -3.970 0.751 9.171 392 HG3 MET 50 HG1 MET 50 -3.050 0.414 7.711 393 HE1 MET 50 HE1 MET 50 -3.803 0.848 5.663 394 HE2 MET 50 HE2 MET 50 -5.449 0.881 5.029 395 HE3 MET 50 HE3 MET 50 -4.635 -0.662 5.288 396 H LYS 51 HN LYS 51 -1.183 -3.777 8.760 397 HA LYS 51 HA LYS 51 1.013 -1.947 8.140 398 HB2 LYS 51 HB2 LYS 51 2.405 -3.473 9.516 399 HB3 LYS 51 HB1 LYS 51 1.022 -2.821 10.377 400 HG2 LYS 51 HG2 LYS 51 -0.129 -4.900 10.298 401 HG3 LYS 51 HG1 LYS 51 1.019 -5.578 9.147 402 HD2 LYS 51 HD2 LYS 51 1.956 -4.657 11.851 403 HD3 LYS 51 HD1 LYS 51 1.164 -6.222 11.675 404 HE2 LYS 51 HE2 LYS 51 2.847 -6.925 10.062 405 HE3 LYS 51 HE1 LYS 51 3.616 -5.340 10.140 406 HZ1 LYS 51 HZ1 LYS 51 4.092 -5.758 12.497 407 HZ2 LYS 51 HZ2 LYS 51 4.807 -6.917 11.494 408 HZ3 LYS 51 HZ3 LYS 51 3.410 -7.303 12.365 409 H GLU 52 HN GLU 52 -0.127 -5.181 7.181 410 HA GLU 52 HA GLU 52 2.215 -5.828 5.640 411 HB2 GLU 52 HB2 GLU 52 -0.534 -7.077 5.809 412 HB3 GLU 52 HB1 GLU 52 0.693 -7.667 4.696 413 HG2 GLU 52 HG2 GLU 52 1.979 -7.534 7.188 414 HG3 GLU 52 HG1 GLU 52 0.375 -8.161 7.532 415 H VAL 53 HN VAL 53 -0.747 -4.061 4.929 416 HA VAL 53 HA VAL 53 -0.835 -4.340 2.131 417 HB VAL 53 HB VAL 53 -2.633 -3.353 3.623 418 HG11 VAL 53 HG11 VAL 53 -1.067 -1.660 4.699 419 HG12 VAL 53 HG12 VAL 53 -2.680 -1.105 4.261 420 HG13 VAL 53 HG13 VAL 53 -1.301 -0.686 3.248 421 HG21 VAL 53 HG21 VAL 53 -1.965 -1.850 1.090 422 HG22 VAL 53 HG22 VAL 53 -3.537 -1.857 1.892 423 HG23 VAL 53 HG23 VAL 53 -2.885 -3.350 1.221 424 H LEU 54 HN LEU 54 1.191 -2.240 4.137 425 HA LEU 54 HA LEU 54 2.106 -0.538 2.017 426 HB2 LEU 54 HB2 LEU 54 2.787 -0.944 4.890 427 HB3 LEU 54 HB1 LEU 54 4.055 -0.264 3.896 428 HG LEU 54 HG LEU 54 2.708 1.434 5.113 429 HD11 LEU 54 HD11 LEU 54 2.445 2.979 3.261 430 HD12 LEU 54 HD12 LEU 54 2.494 1.644 2.110 431 HD13 LEU 54 HD13 LEU 54 3.920 2.031 3.073 432 HD21 LEU 54 HD21 LEU 54 0.451 0.632 3.270 433 HD22 LEU 54 HD22 LEU 54 0.442 1.958 4.433 434 HD23 LEU 54 HD23 LEU 54 0.525 0.290 4.998 435 H PHE 55 HN PHE 55 3.242 -3.604 3.391 436 HA PHE 55 HA PHE 55 5.818 -3.639 2.199 437 HB2 PHE 55 HB2 PHE 55 4.900 -5.122 4.108 438 HB3 PHE 55 HB1 PHE 55 4.226 -6.133 2.836 439 HD1 PHE 55 HD2 PHE 55 5.736 -7.375 1.301 440 HD2 PHE 55 HD1 PHE 55 7.258 -5.103 4.577 441 HE1 PHE 55 HE2 PHE 55 7.893 -8.539 1.110 442 HE2 PHE 55 HE1 PHE 55 9.416 -6.265 4.378 443 HZ PHE 55 HZ PHE 55 9.735 -7.984 2.645 444 H TYR 56 HN TYR 56 2.638 -4.766 1.022 445 HA TYR 56 HA TYR 56 3.725 -5.983 -1.365 446 HB2 TYR 56 HB2 TYR 56 0.863 -5.338 -0.593 447 HB3 TYR 56 HB1 TYR 56 1.325 -6.199 -2.056 448 HD1 TYR 56 HD2 TYR 56 2.801 -8.367 -1.673 449 HD2 TYR 56 HD1 TYR 56 0.337 -6.590 1.320 450 HE1 TYR 56 HE2 TYR 56 2.754 -10.496 -0.449 451 HE2 TYR 56 HE1 TYR 56 0.291 -8.718 2.546 452 HH TYR 56 HH TYR 56 2.199 -10.951 2.457 453 H LEU 57 HN LEU 57 2.261 -2.849 -0.542 454 HA LEU 57 HA LEU 57 2.002 -1.915 -3.236 455 HB2 LEU 57 HB2 LEU 57 1.027 -1.068 -0.840 456 HB3 LEU 57 HB1 LEU 57 2.306 0.102 -1.069 457 HG LEU 57 HG LEU 57 0.104 -0.408 -3.087 458 HD11 LEU 57 HD11 LEU 57 0.278 1.774 -1.008 459 HD12 LEU 57 HD12 LEU 57 -0.848 0.416 -0.993 460 HD13 LEU 57 HD13 LEU 57 -0.951 1.631 -2.267 461 HD21 LEU 57 HD21 LEU 57 2.187 1.770 -2.855 462 HD22 LEU 57 HD22 LEU 57 0.808 1.830 -3.953 463 HD23 LEU 57 HD23 LEU 57 2.026 0.572 -4.140 464 H GLY 58 HN GLY 58 4.560 -1.592 -0.757 465 HA2 GLY 58 HA2 GLY 58 6.171 0.270 -2.192 466 HA3 GLY 58 HA1 GLY 58 6.690 -0.729 -0.846 467 H GLN 59 HN GLN 59 5.925 -3.249 -2.342 468 HA GLN 59 HA GLN 59 8.444 -3.763 -3.561 469 HB2 GLN 59 HB2 GLN 59 6.804 -5.428 -2.422 470 HB3 GLN 59 HB1 GLN 59 6.000 -5.488 -3.982 471 HG2 GLN 59 HG2 GLN 59 7.413 -7.315 -4.067 472 HG3 GLN 59 HG1 GLN 59 8.337 -6.086 -4.920 473 HE21 GLN 59 HE21 GLN 59 8.215 -8.179 -2.169 474 HE22 GLN 59 HE22 GLN 59 9.752 -7.749 -1.511 475 H TYR 60 HN TYR 60 5.309 -2.778 -4.877 476 HA TYR 60 HA TYR 60 5.833 -3.388 -7.611 477 HB2 TYR 60 HB2 TYR 60 3.552 -3.001 -6.628 478 HB3 TYR 60 HB1 TYR 60 3.928 -1.289 -6.522 479 HD1 TYR 60 HD2 TYR 60 4.104 -3.981 -9.161 480 HD2 TYR 60 HD1 TYR 60 2.956 0.013 -8.194 481 HE1 TYR 60 HE2 TYR 60 3.255 -3.673 -11.444 482 HE2 TYR 60 HE1 TYR 60 2.106 0.320 -10.477 483 HH TYR 60 HH TYR 60 1.231 -1.758 -12.421 484 H ILE 61 HN ILE 61 6.617 -0.604 -5.580 485 HA ILE 61 HA ILE 61 7.337 1.166 -7.737 486 HB ILE 61 HB ILE 61 8.101 1.383 -4.798 487 HG12 ILE 61 HG12 ILE 61 5.780 2.795 -6.149 488 HG13 ILE 61 HG11 ILE 61 5.582 1.258 -5.323 489 HG21 ILE 61 HG21 ILE 61 7.988 3.538 -6.923 490 HG22 ILE 61 HG22 ILE 61 9.459 2.833 -6.256 491 HG23 ILE 61 HG23 ILE 61 8.390 3.776 -5.223 492 HD11 ILE 61 HD11 ILE 61 6.525 3.821 -4.058 493 HD12 ILE 61 HD12 ILE 61 6.315 2.275 -3.233 494 HD13 ILE 61 HD13 ILE 61 4.918 3.108 -3.914 495 H MET 62 HN MET 62 9.066 -1.243 -5.795 496 HA MET 62 HA MET 62 11.711 -0.404 -6.623 497 HB2 MET 62 HB2 MET 62 11.281 -1.429 -4.407 498 HB3 MET 62 HB1 MET 62 10.829 -2.929 -5.191 499 HG2 MET 62 HG2 MET 62 13.515 -1.909 -5.895 500 HG3 MET 62 HG1 MET 62 13.301 -2.356 -4.206 501 HE1 MET 62 HE1 MET 62 15.493 -4.134 -5.147 502 HE2 MET 62 HE2 MET 62 14.833 -5.730 -4.798 503 HE3 MET 62 HE3 MET 62 14.526 -4.389 -3.694 504 H THR 63 HN THR 63 9.520 -3.113 -7.476 505 HA THR 63 HA THR 63 11.377 -4.398 -9.211 506 HB THR 63 HB THR 63 9.506 -5.587 -8.122 507 HG1 THR 63 HG1 THR 63 10.229 -6.759 -9.755 508 HG21 THR 63 HG21 THR 63 7.277 -5.488 -8.775 509 HG22 THR 63 HG22 THR 63 7.640 -4.555 -10.226 510 HG23 THR 63 HG23 THR 63 7.746 -3.793 -8.641 511 H LYS 64 HN LYS 64 8.893 -1.929 -9.843 512 HA LYS 64 HA LYS 64 9.253 -2.155 -12.729 513 HB2 LYS 64 HB2 LYS 64 7.222 -1.057 -10.982 514 HB3 LYS 64 HB1 LYS 64 7.696 0.147 -12.161 515 HG2 LYS 64 HG2 LYS 64 5.928 -0.934 -13.186 516 HG3 LYS 64 HG1 LYS 64 7.334 -1.697 -13.920 517 HD2 LYS 64 HD2 LYS 64 6.180 -2.983 -11.481 518 HD3 LYS 64 HD1 LYS 64 5.252 -3.090 -12.973 519 HE2 LYS 64 HE2 LYS 64 7.336 -3.984 -14.084 520 HE3 LYS 64 HE1 LYS 64 8.060 -4.077 -12.480 521 HZ1 LYS 64 HZ1 LYS 64 5.640 -5.528 -13.413 522 HZ2 LYS 64 HZ2 LYS 64 6.217 -5.559 -11.823 523 HZ3 LYS 64 HZ3 LYS 64 7.154 -6.201 -13.075 524 H ARG 65 HN ARG 65 11.023 -0.585 -10.330 525 HA ARG 65 HA ARG 65 12.635 0.994 -10.306 526 HB2 ARG 65 HB2 ARG 65 12.477 0.749 -13.326 527 HB3 ARG 65 HB1 ARG 65 13.724 1.637 -12.464 528 HG2 ARG 65 HG2 ARG 65 14.529 -0.387 -11.433 529 HG3 ARG 65 HG1 ARG 65 13.202 -1.314 -12.128 530 HD2 ARG 65 HD2 ARG 65 14.497 -1.759 -13.876 531 HD3 ARG 65 HD1 ARG 65 14.461 -0.054 -14.311 532 HE ARG 65 HE ARG 65 16.609 -1.506 -12.993 533 HH11 ARG 65 HH11 ARG 65 15.421 1.721 -13.879 534 HH12 ARG 65 HH12 ARG 65 16.985 2.444 -13.739 535 HH21 ARG 65 HH21 ARG 65 18.639 -0.504 -12.813 536 HH22 ARG 65 HH22 ARG 65 18.804 1.190 -13.138 537 H LEU 66 HN LEU 66 11.331 2.564 -9.320 538 HA LEU 66 HA LEU 66 10.361 4.739 -11.087 539 HB2 LEU 66 HB2 LEU 66 9.082 3.371 -8.791 540 HB3 LEU 66 HB1 LEU 66 8.937 5.114 -8.782 541 HG LEU 66 HG LEU 66 7.977 4.943 -11.131 542 HD11 LEU 66 HD11 LEU 66 7.916 2.010 -10.416 543 HD12 LEU 66 HD12 LEU 66 8.688 2.768 -11.808 544 HD13 LEU 66 HD13 LEU 66 6.932 2.735 -11.689 545 HD21 LEU 66 HD21 LEU 66 5.741 4.361 -10.337 546 HD22 LEU 66 HD22 LEU 66 6.589 5.365 -9.161 547 HD23 LEU 66 HD23 LEU 66 6.434 3.629 -8.887 548 H TYR 67 HN TYR 67 11.851 3.981 -7.923 549 HA TYR 67 HA TYR 67 12.655 6.795 -7.634 550 HB2 TYR 67 HB2 TYR 67 12.839 6.468 -5.303 551 HB3 TYR 67 HB1 TYR 67 11.373 5.629 -5.768 552 HD1 TYR 67 HD1 TYR 67 11.660 2.995 -6.159 553 HD2 TYR 67 HD2 TYR 67 14.357 5.404 -3.899 554 HE1 TYR 67 HE1 TYR 67 12.471 0.995 -4.995 555 HE2 TYR 67 HE2 TYR 67 15.167 3.405 -2.733 556 HH TYR 67 HH TYR 67 15.106 0.616 -3.592 557 H ASP 68 HN ASP 68 14.078 5.595 -9.604 558 HA ASP 68 HA ASP 68 16.599 4.571 -8.544 559 HB2 ASP 68 HB2 ASP 68 15.441 3.690 -10.660 560 HB3 ASP 68 HB1 ASP 68 15.983 5.164 -11.453 561 H GLU 69 HN GLU 69 17.520 6.311 -7.442 562 HA GLU 69 HA GLU 69 18.866 8.295 -9.081 563 HB2 GLU 69 HB2 GLU 69 16.514 9.203 -8.386 564 HB3 GLU 69 HB1 GLU 69 17.218 9.371 -6.788 565 HG2 GLU 69 HG2 GLU 69 17.501 11.477 -7.692 566 HG3 GLU 69 HG1 GLU 69 19.069 10.732 -7.982 567 H LYS 70 HN LYS 70 20.717 9.188 -8.080 568 HA LYS 70 HA LYS 70 21.828 7.625 -5.932 569 HB2 LYS 70 HB2 LYS 70 23.073 8.689 -7.951 570 HB3 LYS 70 HB1 LYS 70 23.065 10.166 -6.999 571 HG2 LYS 70 HG2 LYS 70 24.110 8.576 -5.155 572 HG3 LYS 70 HG1 LYS 70 24.558 7.615 -6.561 573 HD2 LYS 70 HD2 LYS 70 25.196 10.560 -6.355 574 HD3 LYS 70 HD1 LYS 70 26.262 9.320 -5.699 575 HE2 LYS 70 HE2 LYS 70 26.401 8.297 -7.953 576 HE3 LYS 70 HE1 LYS 70 25.413 9.615 -8.584 577 HZ1 LYS 70 HZ1 LYS 70 27.139 11.178 -7.901 578 HZ2 LYS 70 HZ2 LYS 70 27.756 10.021 -8.969 579 HZ3 LYS 70 HZ3 LYS 70 28.088 9.904 -7.315 580 H GLN 71 HN GLN 71 20.932 11.082 -6.274 581 HA GLN 71 HA GLN 71 21.441 11.704 -3.513 582 HB2 GLN 71 HB2 GLN 71 21.557 13.323 -5.491 583 HB3 GLN 71 HB1 GLN 71 19.803 13.359 -5.448 584 HG2 GLN 71 HG2 GLN 71 20.471 15.259 -4.272 585 HG3 GLN 71 HG1 GLN 71 20.022 14.106 -3.022 586 HE21 GLN 71 HE21 GLN 71 21.609 13.337 -1.608 587 HE22 GLN 71 HE22 GLN 71 23.211 13.982 -1.572 588 H GLN 72 HN GLN 72 18.599 10.748 -5.379 589 HA GLN 72 HA GLN 72 16.436 10.397 -4.934 590 HB2 GLN 72 HB2 GLN 72 15.939 9.011 -2.929 591 HB3 GLN 72 HB1 GLN 72 17.252 8.412 -3.923 592 HG2 GLN 72 HG2 GLN 72 18.879 9.216 -2.306 593 HG3 GLN 72 HG1 GLN 72 17.594 9.915 -1.329 594 HE21 GLN 72 HE21 GLN 72 16.554 8.633 0.140 595 HE22 GLN 72 HE22 GLN 72 16.866 6.946 0.339 596 H HIS 73 HN HIS 73 15.019 11.975 -4.785 597 HA HIS 73 HA HIS 73 14.528 13.260 -2.190 598 HB2 HIS 73 HB2 HIS 73 15.170 14.712 -4.761 599 HB3 HIS 73 HB1 HIS 73 14.207 15.477 -3.503 600 HD1 HIS 73 HD1 HIS 73 15.702 14.828 -0.974 601 HD2 HIS 73 HD2 HIS 73 17.632 15.822 -4.527 602 HE1 HIS 73 HE1 HIS 73 17.978 15.648 -0.298 603 HE2 HIS 73 HE2 HIS 73 19.087 16.342 -2.454 604 H ILE 74 HN ILE 74 13.381 12.993 -5.595 605 HA ILE 74 HA ILE 74 10.652 12.575 -4.581 606 HB ILE 74 HB ILE 74 10.934 14.980 -5.223 607 HG12 ILE 74 HG12 ILE 74 8.971 13.632 -7.088 608 HG13 ILE 74 HG11 ILE 74 8.740 13.646 -5.347 609 HG21 ILE 74 HG21 ILE 74 11.172 15.682 -7.502 610 HG22 ILE 74 HG22 ILE 74 11.165 14.015 -8.075 611 HG23 ILE 74 HG23 ILE 74 12.516 14.611 -7.109 612 HD11 ILE 74 HD11 ILE 74 7.440 15.398 -6.287 613 HD12 ILE 74 HD12 ILE 74 8.824 16.023 -7.186 614 HD13 ILE 74 HD13 ILE 74 8.791 16.134 -5.425 615 H VAL 75 HN VAL 75 9.356 11.174 -5.818 616 HA VAL 75 HA VAL 75 10.791 9.581 -7.836 617 HB VAL 75 HB VAL 75 9.179 7.812 -7.482 618 HG11 VAL 75 HG11 VAL 75 9.976 8.872 -4.771 619 HG12 VAL 75 HG12 VAL 75 11.070 8.056 -5.887 620 HG13 VAL 75 HG13 VAL 75 9.684 7.192 -5.226 621 HG21 VAL 75 HG21 VAL 75 7.100 8.955 -7.175 622 HG22 VAL 75 HG22 VAL 75 7.680 9.760 -5.722 623 HG23 VAL 75 HG23 VAL 75 7.397 8.023 -5.710 624 H TYR 76 HN TYR 76 9.355 8.624 -9.644 625 HA TYR 76 HA TYR 76 7.526 10.690 -10.733 626 HB2 TYR 76 HB2 TYR 76 9.657 9.107 -12.201 627 HB3 TYR 76 HB1 TYR 76 8.417 10.061 -13.008 628 HD1 TYR 76 HD2 TYR 76 8.440 12.541 -12.832 629 HD2 TYR 76 HD1 TYR 76 11.563 10.174 -11.150 630 HE1 TYR 76 HE2 TYR 76 9.859 14.538 -12.662 631 HE2 TYR 76 HE1 TYR 76 12.984 12.169 -10.977 632 HH TYR 76 HH TYR 76 12.173 15.023 -10.868 633 H CYS 77 HN CYS 77 5.891 9.927 -12.230 634 HA CYS 77 HA CYS 77 5.220 7.050 -11.983 635 HB2 CYS 77 HB2 CYS 77 3.824 8.616 -10.542 636 HB3 CYS 77 HB1 CYS 77 3.200 9.313 -12.030 637 HG CYS 77 HG CYS 77 2.679 6.339 -11.263 638 H SER 78 HN SER 78 4.924 6.017 -13.909 639 HA SER 78 HA SER 78 3.813 7.389 -16.212 640 HB2 SER 78 HB2 SER 78 6.276 7.938 -16.259 641 HB3 SER 78 HB1 SER 78 6.598 6.216 -16.467 642 HG SER 78 HG SER 78 6.036 6.381 -18.492 643 H ASN 79 HN ASN 79 2.466 6.020 -17.220 644 HA ASN 79 HA ASN 79 1.366 4.164 -17.892 645 HB2 ASN 79 HB2 ASN 79 4.205 3.161 -18.216 646 HB3 ASN 79 HB1 ASN 79 2.799 2.286 -18.808 647 HD21 ASN 79 HD21 ASN 79 5.117 4.629 -19.543 648 HD22 ASN 79 HD22 ASN 79 4.391 5.251 -20.980 649 H ASP 80 HN ASP 80 0.771 4.189 -15.450 650 HA ASP 80 HA ASP 80 0.623 1.478 -14.577 651 HB2 ASP 80 HB2 ASP 80 1.752 1.766 -12.354 652 HB3 ASP 80 HB1 ASP 80 2.854 1.803 -13.716 653 H LEU 81 HN LEU 81 -0.421 1.434 -12.209 654 HA LEU 81 HA LEU 81 -2.568 3.451 -12.245 655 HB2 LEU 81 HB2 LEU 81 -3.870 1.768 -10.862 656 HB3 LEU 81 HB1 LEU 81 -3.604 1.392 -12.540 657 HG LEU 81 HG LEU 81 -3.484 -0.500 -10.815 658 HD11 LEU 81 HD11 LEU 81 -1.082 -0.397 -12.612 659 HD12 LEU 81 HD12 LEU 81 -2.722 -0.595 -13.223 660 HD13 LEU 81 HD13 LEU 81 -2.044 -1.788 -12.118 661 HD21 LEU 81 HD21 LEU 81 -2.033 0.617 -9.184 662 HD22 LEU 81 HD22 LEU 81 -0.703 0.572 -10.339 663 HD23 LEU 81 HD23 LEU 81 -1.379 -0.930 -9.717 664 H LEU 82 HN LEU 82 0.157 3.653 -10.838 665 HA LEU 82 HA LEU 82 -0.387 3.636 -8.020 666 HB2 LEU 82 HB2 LEU 82 1.892 3.508 -9.316 667 HB3 LEU 82 HB1 LEU 82 1.825 5.252 -9.283 668 HG LEU 82 HG LEU 82 3.273 4.366 -7.532 669 HD11 LEU 82 HD11 LEU 82 2.565 5.684 -5.739 670 HD12 LEU 82 HD12 LEU 82 0.860 5.467 -6.130 671 HD13 LEU 82 HD13 LEU 82 1.884 6.459 -7.169 672 HD21 LEU 82 HD21 LEU 82 0.837 3.027 -6.356 673 HD22 LEU 82 HD22 LEU 82 2.470 3.034 -5.688 674 HD23 LEU 82 HD23 LEU 82 2.144 2.200 -7.205 675 H GLY 83 HN GLY 83 -0.544 6.118 -10.574 676 HA2 GLY 83 HA2 GLY 83 -1.021 8.308 -8.752 677 HA3 GLY 83 HA1 GLY 83 -1.121 8.354 -10.500 678 H ASP 84 HN ASP 84 -3.110 5.810 -9.560 679 HA ASP 84 HA ASP 84 -5.500 7.454 -9.897 680 HB2 ASP 84 HB2 ASP 84 -5.016 5.217 -11.120 681 HB3 ASP 84 HB1 ASP 84 -5.489 4.444 -9.612 682 H LEU 85 HN LEU 85 -4.028 5.359 -7.410 683 HA LEU 85 HA LEU 85 -6.295 5.634 -5.619 684 HB2 LEU 85 HB2 LEU 85 -4.694 4.517 -3.930 685 HB3 LEU 85 HB1 LEU 85 -5.327 3.577 -5.257 686 HG LEU 85 HG LEU 85 -2.679 4.815 -5.774 687 HD11 LEU 85 HD11 LEU 85 -1.393 3.285 -4.451 688 HD12 LEU 85 HD12 LEU 85 -2.854 2.514 -3.830 689 HD13 LEU 85 HD13 LEU 85 -2.474 4.176 -3.380 690 HD21 LEU 85 HD21 LEU 85 -3.918 3.189 -7.273 691 HD22 LEU 85 HD22 LEU 85 -3.547 1.943 -6.082 692 HD23 LEU 85 HD23 LEU 85 -2.239 2.789 -6.912 693 H PHE 86 HN PHE 86 -2.955 6.945 -5.731 694 HA PHE 86 HA PHE 86 -3.367 8.541 -3.341 695 HB2 PHE 86 HB2 PHE 86 -1.101 8.520 -5.358 696 HB3 PHE 86 HB1 PHE 86 -1.126 9.533 -3.925 697 HD1 PHE 86 HD1 PHE 86 -2.448 7.002 -2.290 698 HD2 PHE 86 HD2 PHE 86 1.070 7.692 -4.607 699 HE1 PHE 86 HE1 PHE 86 -1.277 5.254 -1.038 700 HE2 PHE 86 HE2 PHE 86 2.233 5.936 -3.352 701 HZ PHE 86 HZ PHE 86 1.065 4.714 -1.565 702 H GLY 87 HN GLY 87 -2.928 9.245 -6.836 703 HA2 GLY 87 HA2 GLY 87 -4.096 10.866 -8.072 704 HA3 GLY 87 HA1 GLY 87 -4.643 11.601 -6.579 705 H VAL 88 HN VAL 88 -1.335 10.839 -7.745 706 HA VAL 88 HA VAL 88 -0.697 13.596 -8.237 707 HB VAL 88 HB VAL 88 -0.593 13.619 -5.785 708 HG11 VAL 88 HG11 VAL 88 1.577 11.527 -5.961 709 HG12 VAL 88 HG12 VAL 88 -0.070 11.256 -5.387 710 HG13 VAL 88 HG13 VAL 88 1.006 12.335 -4.500 711 HG21 VAL 88 HG21 VAL 88 2.174 13.827 -6.983 712 HG22 VAL 88 HG22 VAL 88 1.633 14.567 -5.477 713 HG23 VAL 88 HG23 VAL 88 0.937 15.085 -7.012 714 HA PRO 89 HA PRO 89 2.085 11.277 -10.917 715 HB2 PRO 89 HB2 PRO 89 3.453 13.354 -12.037 716 HB3 PRO 89 HB1 PRO 89 1.800 12.922 -12.483 717 HG2 PRO 89 HG2 PRO 89 2.762 15.077 -10.643 718 HG3 PRO 89 HG1 PRO 89 1.480 15.134 -11.867 719 HD2 PRO 89 HD2 PRO 89 0.979 14.845 -9.218 720 HD3 PRO 89 HD1 PRO 89 -0.064 14.160 -10.477 721 H SER 90 HN SER 90 3.483 13.777 -8.763 722 HA SER 90 HA SER 90 5.836 12.047 -8.334 723 HB2 SER 90 HB2 SER 90 7.284 14.051 -8.311 724 HB3 SER 90 HB1 SER 90 6.499 13.837 -9.872 725 HG SER 90 HG SER 90 6.367 15.999 -9.206 726 H PHE 91 HN PHE 91 6.170 11.601 -6.238 727 HA PHE 91 HA PHE 91 5.338 13.517 -4.164 728 HB2 PHE 91 HB2 PHE 91 4.329 11.686 -2.822 729 HB3 PHE 91 HB1 PHE 91 3.480 11.958 -4.333 730 HD1 PHE 91 HD1 PHE 91 3.541 10.283 -6.125 731 HD2 PHE 91 HD2 PHE 91 5.530 9.605 -2.414 732 HE1 PHE 91 HE1 PHE 91 3.735 7.894 -6.664 733 HE2 PHE 91 HE2 PHE 91 5.727 7.217 -2.956 734 HZ PHE 91 HZ PHE 91 4.832 6.359 -5.083 735 H SER 92 HN SER 92 6.199 12.834 -1.941 736 HA SER 92 HA SER 92 9.024 12.117 -2.244 737 HB2 SER 92 HB2 SER 92 7.491 13.321 0.079 738 HB3 SER 92 HB1 SER 92 9.210 12.928 0.133 739 HG SER 92 HG SER 92 9.643 14.540 -1.236 740 H VAL 93 HN VAL 93 9.923 10.271 -1.484 741 HA VAL 93 HA VAL 93 8.165 8.187 -0.474 742 HB VAL 93 HB VAL 93 9.800 7.713 -2.297 743 HG11 VAL 93 HG11 VAL 93 11.949 7.900 -0.180 744 HG12 VAL 93 HG12 VAL 93 11.697 9.057 -1.490 745 HG13 VAL 93 HG13 VAL 93 12.156 7.395 -1.861 746 HG21 VAL 93 HG21 VAL 93 10.576 5.534 -1.431 747 HG22 VAL 93 HG22 VAL 93 8.890 5.862 -1.037 748 HG23 VAL 93 HG23 VAL 93 10.135 6.044 0.198 749 H LYS 94 HN LYS 94 10.645 10.321 0.837 750 HA LYS 94 HA LYS 94 11.026 8.773 3.257 751 HB2 LYS 94 HB2 LYS 94 12.364 10.745 4.055 752 HB3 LYS 94 HB1 LYS 94 12.942 9.986 2.586 753 HG2 LYS 94 HG2 LYS 94 11.240 12.082 1.747 754 HG3 LYS 94 HG1 LYS 94 12.198 12.727 3.075 755 HD2 LYS 94 HD2 LYS 94 13.409 13.176 1.074 756 HD3 LYS 94 HD1 LYS 94 14.253 11.866 1.896 757 HE2 LYS 94 HE2 LYS 94 12.692 10.379 0.325 758 HE3 LYS 94 HE1 LYS 94 12.703 11.842 -0.655 759 HZ1 LYS 94 HZ1 LYS 94 14.456 10.426 -1.371 760 HZ2 LYS 94 HZ2 LYS 94 15.051 10.240 0.200 761 HZ3 LYS 94 HZ3 LYS 94 15.169 11.738 -0.578 762 H GLU 95 HN GLU 95 8.853 11.353 2.270 763 HA GLU 95 HA GLU 95 8.115 12.136 4.955 764 HB2 GLU 95 HB2 GLU 95 6.832 12.673 2.256 765 HB3 GLU 95 HB1 GLU 95 6.195 13.303 3.771 766 HG2 GLU 95 HG2 GLU 95 8.440 14.403 4.128 767 HG3 GLU 95 HG1 GLU 95 8.840 13.939 2.476 768 H HIS 96 HN HIS 96 7.656 10.172 5.962 769 HA HIS 96 HA HIS 96 5.872 8.205 4.977 770 HB2 HIS 96 HB2 HIS 96 6.557 8.595 7.898 771 HB3 HIS 96 HB1 HIS 96 6.100 7.103 7.086 772 HD1 HIS 96 HD1 HIS 96 8.983 8.849 8.300 773 HD2 HIS 96 HD2 HIS 96 8.225 6.365 5.055 774 HE1 HIS 96 HE1 HIS 96 11.234 8.029 7.538 775 HE2 HIS 96 HE2 HIS 96 10.749 6.505 5.591 776 H ARG 97 HN ARG 97 5.249 11.108 6.871 777 HA ARG 97 HA ARG 97 2.587 10.248 7.648 778 HB2 ARG 97 HB2 ARG 97 2.423 12.363 8.825 779 HB3 ARG 97 HB1 ARG 97 3.946 11.571 9.193 780 HG2 ARG 97 HG2 ARG 97 5.093 13.089 7.608 781 HG3 ARG 97 HG1 ARG 97 3.558 13.907 7.315 782 HD2 ARG 97 HD2 ARG 97 3.446 14.476 9.723 783 HD3 ARG 97 HD1 ARG 97 5.023 13.719 9.950 784 HE ARG 97 HE ARG 97 5.184 15.702 7.934 785 HH11 ARG 97 HH11 ARG 97 4.898 15.456 11.456 786 HH12 ARG 97 HH12 ARG 97 5.665 16.982 11.730 787 HH21 ARG 97 HH21 ARG 97 6.186 17.703 8.341 788 HH22 ARG 97 HH22 ARG 97 6.392 18.255 9.971 789 H LYS 98 HN LYS 98 3.681 11.389 4.696 790 HA LYS 98 HA LYS 98 1.306 13.054 4.189 791 HB2 LYS 98 HB2 LYS 98 3.888 12.689 2.670 792 HB3 LYS 98 HB1 LYS 98 2.495 13.490 1.956 793 HG2 LYS 98 HG2 LYS 98 2.596 14.978 4.112 794 HG3 LYS 98 HG1 LYS 98 4.251 14.383 4.207 795 HD2 LYS 98 HD2 LYS 98 4.507 16.349 3.000 796 HD3 LYS 98 HD1 LYS 98 4.408 15.146 1.716 797 HE2 LYS 98 HE2 LYS 98 2.031 15.685 1.406 798 HE3 LYS 98 HE1 LYS 98 2.126 16.873 2.704 799 HZ1 LYS 98 HZ1 LYS 98 3.709 18.138 1.391 800 HZ2 LYS 98 HZ2 LYS 98 2.275 17.911 0.526 801 HZ3 LYS 98 HZ3 LYS 98 3.641 16.991 0.147 802 H ILE 99 HN ILE 99 2.998 10.253 2.670 803 HA ILE 99 HA ILE 99 0.828 9.764 0.857 804 HB ILE 99 HB ILE 99 1.980 7.608 0.323 805 HG12 ILE 99 HG12 ILE 99 3.327 8.021 2.782 806 HG13 ILE 99 HG11 ILE 99 3.577 6.727 1.631 807 HG21 ILE 99 HG21 ILE 99 2.332 9.587 -0.997 808 HG22 ILE 99 HG22 ILE 99 3.832 8.672 -0.877 809 HG23 ILE 99 HG23 ILE 99 3.612 10.133 0.088 810 HD11 ILE 99 HD11 ILE 99 5.412 7.878 0.629 811 HD12 ILE 99 HD12 ILE 99 5.642 7.895 2.378 812 HD13 ILE 99 HD13 ILE 99 5.070 9.343 1.550 813 H TYR 100 HN TYR 100 1.436 8.688 4.145 814 HA TYR 100 HA TYR 100 -0.171 6.330 4.068 815 HB2 TYR 100 HB2 TYR 100 1.471 7.503 5.985 816 HB3 TYR 100 HB1 TYR 100 -0.126 7.670 6.691 817 HD1 TYR 100 HD2 TYR 100 -1.563 5.281 6.192 818 HD2 TYR 100 HD1 TYR 100 2.630 5.689 6.849 819 HE1 TYR 100 HE2 TYR 100 -1.461 2.956 6.966 820 HE2 TYR 100 HE1 TYR 100 2.734 3.362 7.625 821 HH TYR 100 HH TYR 100 0.996 1.142 7.061 822 H THR 101 HN THR 101 -0.948 9.745 4.475 823 HA THR 101 HA THR 101 -3.537 9.483 5.577 824 HB THR 101 HB THR 101 -2.789 11.757 3.737 825 HG1 THR 101 HG1 THR 101 -1.066 12.001 4.923 826 HG21 THR 101 HG21 THR 101 -4.248 11.738 6.375 827 HG22 THR 101 HG22 THR 101 -5.002 11.848 4.785 828 HG23 THR 101 HG23 THR 101 -3.946 13.140 5.349 829 H MET 102 HN MET 102 -2.400 9.293 2.217 830 HA MET 102 HA MET 102 -4.993 9.446 0.995 831 HB2 MET 102 HB2 MET 102 -2.245 8.682 0.031 832 HB3 MET 102 HB1 MET 102 -3.637 8.301 -0.968 833 HG2 MET 102 HG2 MET 102 -2.944 10.329 -1.816 834 HG3 MET 102 HG1 MET 102 -4.250 10.790 -0.733 835 HE1 MET 102 HE1 MET 102 0.105 12.069 -0.530 836 HE2 MET 102 HE2 MET 102 -0.931 11.873 -1.942 837 HE3 MET 102 HE3 MET 102 -0.345 10.453 -1.076 838 H ILE 103 HN ILE 103 -3.023 6.786 2.271 839 HA ILE 103 HA ILE 103 -4.577 4.657 1.120 840 HB ILE 103 HB ILE 103 -2.720 4.519 3.524 841 HG12 ILE 103 HG12 ILE 103 -2.017 3.752 0.675 842 HG13 ILE 103 HG11 ILE 103 -1.702 5.359 1.311 843 HG21 ILE 103 HG21 ILE 103 -2.524 2.084 2.866 844 HG22 ILE 103 HG22 ILE 103 -3.892 2.341 1.786 845 HG23 ILE 103 HG23 ILE 103 -4.088 2.561 3.523 846 HD11 ILE 103 HD11 ILE 103 -0.503 2.760 2.218 847 HD12 ILE 103 HD12 ILE 103 -0.331 4.271 3.111 848 HD13 ILE 103 HD13 ILE 103 0.310 4.137 1.473 849 H TYR 104 HN TYR 104 -4.851 6.608 4.042 850 HA TYR 104 HA TYR 104 -6.726 4.865 5.383 851 HB2 TYR 104 HB2 TYR 104 -5.125 6.386 6.577 852 HB3 TYR 104 HB1 TYR 104 -6.051 7.761 5.992 853 HD1 TYR 104 HD2 TYR 104 -6.395 4.644 8.044 854 HD2 TYR 104 HD1 TYR 104 -7.848 8.580 7.277 855 HE1 TYR 104 HE2 TYR 104 -7.846 4.493 10.020 856 HE2 TYR 104 HE1 TYR 104 -9.297 8.432 9.252 857 HH TYR 104 HH TYR 104 -9.016 6.745 11.626 858 H ARG 105 HN ARG 105 -7.126 6.935 2.725 859 HA ARG 105 HA ARG 105 -9.876 7.697 3.439 860 HB2 ARG 105 HB2 ARG 105 -8.025 8.618 1.236 861 HB3 ARG 105 HB1 ARG 105 -9.725 9.057 1.286 862 HG2 ARG 105 HG2 ARG 105 -8.175 9.616 3.749 863 HG3 ARG 105 HG1 ARG 105 -7.736 10.553 2.325 864 HD2 ARG 105 HD2 ARG 105 -9.360 11.822 3.491 865 HD3 ARG 105 HD1 ARG 105 -10.178 11.141 2.086 866 HE ARG 105 HE ARG 105 -10.459 9.538 4.466 867 HH11 ARG 105 HH11 ARG 105 -11.853 12.307 2.755 868 HH12 ARG 105 HH12 ARG 105 -13.406 12.111 3.486 869 HH21 ARG 105 HH21 ARG 105 -12.521 9.320 5.408 870 HH22 ARG 105 HH22 ARG 105 -13.785 10.427 4.990 871 H ASN 106 HN ASN 106 -8.076 5.746 1.048 872 HA ASN 106 HA ASN 106 -10.631 4.952 -0.206 873 HB2 ASN 106 HB2 ASN 106 -7.776 4.687 -1.199 874 HB3 ASN 106 HB1 ASN 106 -9.182 4.070 -2.056 875 HD21 ASN 106 HD21 ASN 106 -10.536 5.513 -3.153 876 HD22 ASN 106 HD22 ASN 106 -10.117 7.171 -3.391 877 H LEU 107 HN LEU 107 -10.449 3.741 2.215 878 HA LEU 107 HA LEU 107 -10.128 0.945 1.471 879 HB2 LEU 107 HB2 LEU 107 -8.577 0.285 3.066 880 HB3 LEU 107 HB1 LEU 107 -7.913 1.763 2.430 881 HG LEU 107 HG LEU 107 -7.434 1.941 4.677 882 HD11 LEU 107 HD11 LEU 107 -8.623 3.730 5.594 883 HD12 LEU 107 HD12 LEU 107 -10.114 3.286 4.771 884 HD13 LEU 107 HD13 LEU 107 -8.755 3.922 3.847 885 HD21 LEU 107 HD21 LEU 107 -8.586 1.090 6.488 886 HD22 LEU 107 HD22 LEU 107 -8.937 -0.088 5.226 887 HD23 LEU 107 HD23 LEU 107 -10.142 1.124 5.660 888 H VAL 108 HN VAL 108 -10.917 -0.568 3.242 889 HA VAL 108 HA VAL 108 -13.182 0.653 4.707 890 HB VAL 108 HB VAL 108 -14.339 -1.610 4.447 891 HG11 VAL 108 HG11 VAL 108 -15.070 0.362 3.233 892 HG12 VAL 108 HG12 VAL 108 -15.233 -1.077 2.227 893 HG13 VAL 108 HG13 VAL 108 -13.894 0.039 1.958 894 HG21 VAL 108 HG21 VAL 108 -12.298 -2.007 2.245 895 HG22 VAL 108 HG22 VAL 108 -13.728 -3.001 2.517 896 HG23 VAL 108 HG23 VAL 108 -12.440 -2.970 3.716 897 H VAL 109 HN VAL 109 -12.861 0.586 6.845 898 HA VAL 109 HA VAL 109 -10.954 -1.287 8.001 899 HB VAL 109 HB VAL 109 -11.367 -0.070 10.160 900 HG11 VAL 109 HG11 VAL 109 -10.106 1.895 9.567 901 HG12 VAL 109 HG12 VAL 109 -10.565 1.725 7.873 902 HG13 VAL 109 HG13 VAL 109 -9.526 0.517 8.631 903 HG21 VAL 109 HG21 VAL 109 -12.995 1.873 8.506 904 HG22 VAL 109 HG22 VAL 109 -12.582 2.016 10.212 905 HG23 VAL 109 HG23 VAL 109 -13.671 0.739 9.676 906 H VAL 110 HN VAL 110 -11.348 -2.843 9.562 907 HA VAL 110 HA VAL 110 -14.096 -3.881 9.665 908 HB VAL 110 HB VAL 110 -11.479 -5.192 10.500 909 HG11 VAL 110 HG11 VAL 110 -13.232 -6.164 11.807 910 HG12 VAL 110 HG12 VAL 110 -12.826 -7.304 10.527 911 HG13 VAL 110 HG13 VAL 110 -14.280 -6.313 10.396 912 HG21 VAL 110 HG21 VAL 110 -11.691 -6.556 8.499 913 HG22 VAL 110 HG22 VAL 110 -11.676 -4.849 8.058 914 HG23 VAL 110 HG23 VAL 110 -13.196 -5.741 8.070 915 H ASN 111 HN ASN 111 -11.365 -3.253 11.926 916 HA ASN 111 HA ASN 111 -13.279 -3.038 14.165 917 HB2 ASN 111 HB2 ASN 111 -10.262 -3.404 14.174 918 HB3 ASN 111 HB1 ASN 111 -11.243 -3.201 15.620 919 HD21 ASN 111 HD21 ASN 111 -10.221 -5.402 13.137 920 HD22 ASN 111 HD22 ASN 111 -10.998 -6.804 13.782 921 H GLN 112 HN GLN 112 -14.011 -0.975 14.368 922 HA GLN 112 HA GLN 112 -12.308 1.295 13.677 923 HB2 GLN 112 HB2 GLN 112 -15.218 1.044 14.450 924 HB3 GLN 112 HB1 GLN 112 -14.432 2.608 14.279 925 HG2 GLN 112 HG2 GLN 112 -13.917 2.113 11.950 926 HG3 GLN 112 HG1 GLN 112 -14.671 0.527 12.107 927 HE21 GLN 112 HE21 GLN 112 -16.934 0.375 12.100 928 HE22 GLN 112 HE22 GLN 112 -17.947 1.718 11.712 929 H GLN 113 HN GLN 113 -11.680 2.957 15.056 930 HA GLN 113 HA GLN 113 -12.030 2.546 17.966 931 HB2 GLN 113 HB2 GLN 113 -9.478 3.221 16.472 932 HB3 GLN 113 HB1 GLN 113 -9.655 3.437 18.208 933 HG2 GLN 113 HG2 GLN 113 -10.188 0.978 18.353 934 HG3 GLN 113 HG1 GLN 113 -9.720 0.859 16.658 935 HE21 GLN 113 HE21 GLN 113 -8.585 1.228 19.933 936 HE22 GLN 113 HE22 GLN 113 -6.902 1.091 19.570 937 H GLU 114 HN GLU 114 -11.187 4.707 19.140 938 HA GLU 114 HA GLU 114 -12.852 6.839 18.110 939 HB2 GLU 114 HB2 GLU 114 -11.135 6.677 20.605 940 HB3 GLU 114 HB1 GLU 114 -12.160 8.048 20.201 941 HG2 GLU 114 HG2 GLU 114 -14.134 6.609 20.289 942 HG3 GLU 114 HG1 GLU 114 -13.115 5.227 20.686 943 H SER 115 HN SER 115 -11.623 7.170 16.110 944 HA SER 115 HA SER 115 -9.731 9.352 16.362 945 HB2 SER 115 HB2 SER 115 -8.885 6.719 15.112 946 HB3 SER 115 HB1 SER 115 -8.027 8.239 14.857 947 HG SER 115 HG SER 115 -7.304 8.192 16.875 948 H SER 116 HN SER 116 -9.838 10.743 14.621 949 HA SER 116 HA SER 116 -11.083 9.841 12.123 950 HB2 SER 116 HB2 SER 116 -12.891 10.743 13.657 951 HB3 SER 116 HB1 SER 116 -12.106 12.318 13.542 952 HG SER 116 HG SER 116 -12.743 12.501 11.500 953 H ASP 117 HN ASP 117 -10.344 10.861 10.311 954 HA ASP 117 HA ASP 117 -8.735 13.308 10.558 955 HB2 ASP 117 HB2 ASP 117 -7.298 11.142 10.640 956 HB3 ASP 117 HB1 ASP 117 -7.691 10.980 8.934 957 H SER 118 HN SER 118 -8.865 14.666 8.793 958 HA SER 118 HA SER 118 -10.428 13.741 6.455 959 HB2 SER 118 HB2 SER 118 -10.667 16.338 7.997 960 HB3 SER 118 HB1 SER 118 -11.349 16.118 6.384 961 HG SER 118 HG SER 118 -12.070 14.875 8.807 962 H GLY 119 HN GLY 119 -8.112 13.314 5.762 963 HA2 GLY 119 HA2 GLY 119 -6.950 15.737 4.491 964 HA3 GLY 119 HA1 GLY 119 -5.968 14.439 5.153 965 H THR 120 HN THR 120 -7.376 15.652 2.342 966 HA THR 120 HA THR 120 -6.897 13.109 0.915 967 HB THR 120 HB THR 120 -9.110 14.986 0.067 968 HG1 THR 120 HG1 THR 120 -9.955 14.456 1.952 969 HG21 THR 120 HG21 THR 120 -10.103 13.002 -0.924 970 HG22 THR 120 HG22 THR 120 -8.760 12.019 -0.340 971 HG23 THR 120 HG23 THR 120 -8.477 13.269 -1.552 972 H SER 121 HN SER 121 -5.886 13.262 -1.071 973 HA SER 121 HA SER 121 -5.023 15.960 -1.935 974 HB2 SER 121 HB2 SER 121 -3.215 14.468 -0.999 975 HB3 SER 121 HB1 SER 121 -3.509 13.361 -2.339 976 HG SER 121 HG SER 121 -2.328 15.892 -2.337 977 H VAL 122 HN VAL 122 -7.425 15.254 -2.895 978 HA VAL 122 HA VAL 122 -8.686 15.008 -4.752 979 HB VAL 122 HB VAL 122 -6.141 15.267 -6.390 980 HG11 VAL 122 HG11 VAL 122 -7.657 16.291 -8.073 981 HG12 VAL 122 HG12 VAL 122 -9.029 15.887 -7.041 982 HG13 VAL 122 HG13 VAL 122 -8.038 14.603 -7.734 983 HG21 VAL 122 HG21 VAL 122 -6.615 17.711 -6.434 984 HG22 VAL 122 HG22 VAL 122 -6.172 17.117 -4.834 985 HG23 VAL 122 HG23 VAL 122 -7.862 17.458 -5.211 986 H SER 123 HN SER 123 -9.441 12.931 -4.510 987 HA SER 123 HA SER 123 -7.856 10.664 -5.470 988 HB2 SER 123 HB2 SER 123 -10.547 10.757 -4.077 989 HB3 SER 123 HB1 SER 123 -9.691 9.279 -4.523 990 HG SER 123 HG SER 123 -9.302 9.888 -2.345 991 H GLU 124 HN GLU 124 -8.505 9.262 -7.141 992 HA GLU 124 HA GLU 124 -10.247 10.475 -9.166 993 HB2 GLU 124 HB2 GLU 124 -8.350 8.114 -9.316 994 HB3 GLU 124 HB1 GLU 124 -9.321 8.684 -10.665 995 HG2 GLU 124 HG2 GLU 124 -7.359 10.470 -9.243 996 HG3 GLU 124 HG1 GLU 124 -6.880 9.407 -10.562 997 H ASN 125 HN ASN 125 -9.866 7.289 -7.544 998 HA ASN 125 HA ASN 125 -12.531 6.479 -8.468 999 HB2 ASN 125 HB2 ASN 125 -10.411 4.979 -8.540 1000 HB3 ASN 125 HB1 ASN 125 -10.670 4.766 -6.813 1001 HD21 ASN 125 HD21 ASN 125 -12.456 3.539 -6.103 1002 HD22 ASN 125 HD22 ASN 125 -13.378 2.561 -7.187 1003 H1 13Q 201 HAL 13Q 999 8.339 4.413 0.604 1004 H2 13Q 201 HAJ 13Q 999 6.366 4.817 -0.843 1005 H3 13Q 201 HAI 13Q 999 4.535 1.231 0.658 1006 H4 13Q 201 HAK 13Q 999 6.511 0.824 2.099 1007 H5 13Q 201 HBB 13Q 999 8.447 1.472 2.849 1008 H6 13Q 201 HAZ 13Q 999 12.140 3.144 3.562 1009 H8 13Q 201 HAT 13Q 999 10.146 4.026 4.833 1010 H7 13Q 201 HAU 13Q 999 10.074 2.292 4.441 1011 H9 13Q 201 HBA 13Q 999 8.831 4.471 2.723 1012 H10 13Q 201 HAH 13Q 999 8.310 1.917 5.332 1013 H11 13Q 201 HAM 13Q 999 6.759 5.223 3.065 1014 H12 13Q 201 HAG 13Q 999 4.575 3.720 6.444 1015 H13 13Q 201 HAF 13Q 999 6.335 2.016 6.824 1016 H15 13Q 201 HAV 13Q 999 10.715 0.510 0.527 1017 H14 13Q 201 HAW 13Q 999 8.959 0.651 0.384 1018 H16 13Q 201 HAY 13Q 999 10.686 2.821 -0.909 1019 H18 13Q 201 HAN 13Q 999 8.658 2.452 -2.826 1020 H17 13Q 201 HAO 13Q 999 8.012 1.361 -1.565 1021 H20 13Q 201 HAP 13Q 999 10.775 1.393 -3.005 1022 H19 13Q 201 HAQ 13Q 999 10.042 -0.010 -2.079 1023 H22 13Q 201 HAR 13Q 999 10.480 5.267 2.147 1024 H21 13Q 201 HAS 13Q 999 11.474 5.538 3.594 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 19.334 -21.286 -6.886 2 H2 MET 1 HT2 MET 1 20.821 -21.035 -6.073 3 H3 MET 1 HT3 MET 1 20.669 -20.619 -7.732 4 HA MET 1 HA MET 1 19.345 -19.357 -5.414 5 HB2 MET 1 HB2 MET 1 21.535 -18.545 -7.333 6 HB3 MET 1 HB1 MET 1 20.581 -17.327 -6.508 7 HG2 MET 1 HG2 MET 1 22.238 -17.448 -4.999 8 HG3 MET 1 HG1 MET 1 21.286 -18.790 -4.376 9 HE1 MET 1 HE1 MET 1 23.340 -19.646 -3.069 10 HE2 MET 1 HE2 MET 1 24.452 -18.428 -3.697 11 HE3 MET 1 HE3 MET 1 24.876 -20.138 -3.785 12 H CYS 2 HN CYS 2 17.236 -19.036 -5.912 13 HA CYS 2 HA CYS 2 16.565 -17.702 -8.456 14 HB2 CYS 2 HB2 CYS 2 15.240 -20.176 -7.319 15 HB3 CYS 2 HB1 CYS 2 14.412 -19.118 -8.456 16 HG CYS 2 HG CYS 2 15.841 -21.282 -9.460 17 H ASN 3 HN ASN 3 15.148 -16.023 -8.244 18 HA ASN 3 HA ASN 3 13.788 -15.656 -5.634 19 HB2 ASN 3 HB2 ASN 3 15.174 -13.593 -7.371 20 HB3 ASN 3 HB1 ASN 3 14.081 -13.168 -6.057 21 HD21 ASN 3 HD21 ASN 3 17.190 -14.617 -6.854 22 HD22 ASN 3 HD22 ASN 3 17.857 -14.483 -5.267 23 H THR 4 HN THR 4 11.675 -14.947 -5.654 24 HA THR 4 HA THR 4 10.402 -14.445 -8.277 25 HB THR 4 HB THR 4 8.389 -15.672 -7.439 26 HG1 THR 4 HG1 THR 4 10.110 -16.568 -5.356 27 HG21 THR 4 HG21 THR 4 10.008 -16.839 -8.898 28 HG22 THR 4 HG22 THR 4 9.150 -17.912 -7.794 29 HG23 THR 4 HG23 THR 4 10.818 -17.450 -7.455 30 H ASN 5 HN ASN 5 8.494 -13.123 -8.242 31 HA ASN 5 HA ASN 5 8.609 -10.991 -6.292 32 HB2 ASN 5 HB2 ASN 5 6.765 -11.442 -8.659 33 HB3 ASN 5 HB1 ASN 5 6.729 -10.004 -7.645 34 HD21 ASN 5 HD21 ASN 5 8.511 -11.750 -10.102 35 HD22 ASN 5 HD22 ASN 5 9.595 -10.463 -10.492 36 H MET 6 HN MET 6 6.344 -13.643 -7.033 37 HA MET 6 HA MET 6 4.356 -12.802 -5.123 38 HB2 MET 6 HB2 MET 6 4.726 -15.401 -6.640 39 HB3 MET 6 HB1 MET 6 3.377 -15.097 -5.560 40 HG2 MET 6 HG2 MET 6 2.346 -14.483 -7.457 41 HG3 MET 6 HG1 MET 6 3.131 -12.943 -7.142 42 HE1 MET 6 HE1 MET 6 4.227 -15.980 -10.416 43 HE2 MET 6 HE2 MET 6 2.656 -15.840 -9.624 44 HE3 MET 6 HE3 MET 6 4.047 -16.446 -8.725 45 H SER 7 HN SER 7 5.025 -12.728 -3.017 46 HA SER 7 HA SER 7 5.714 -15.233 -1.696 47 HB2 SER 7 HB2 SER 7 7.896 -14.142 -2.430 48 HB3 SER 7 HB1 SER 7 7.528 -12.837 -1.303 49 HG SER 7 HG SER 7 7.856 -14.166 0.368 50 H VAL 8 HN VAL 8 5.316 -15.244 0.559 51 HA VAL 8 HA VAL 8 3.955 -12.853 1.660 52 HB VAL 8 HB VAL 8 3.116 -15.731 2.185 53 HG11 VAL 8 HG11 VAL 8 2.582 -14.303 4.067 54 HG12 VAL 8 HG12 VAL 8 1.098 -14.699 3.205 55 HG13 VAL 8 HG13 VAL 8 1.838 -13.111 3.002 56 HG21 VAL 8 HG21 VAL 8 1.828 -13.669 0.386 57 HG22 VAL 8 HG22 VAL 8 1.089 -15.201 0.853 58 HG23 VAL 8 HG23 VAL 8 2.566 -15.193 -0.107 59 HA PRO 9 HA PRO 9 7.353 -14.050 4.581 60 HB2 PRO 9 HB2 PRO 9 8.309 -11.592 5.103 61 HB3 PRO 9 HB1 PRO 9 8.706 -12.455 3.615 62 HG2 PRO 9 HG2 PRO 9 6.731 -10.259 4.058 63 HG3 PRO 9 HG1 PRO 9 7.839 -10.515 2.700 64 HD2 PRO 9 HD2 PRO 9 5.154 -11.173 2.691 65 HD3 PRO 9 HD1 PRO 9 6.375 -11.886 1.620 66 H THR 10 HN THR 10 7.670 -13.691 6.876 67 HA THR 10 HA THR 10 5.261 -12.666 8.249 68 HB THR 10 HB THR 10 7.291 -14.570 9.446 69 HG1 THR 10 HG1 THR 10 6.580 -15.846 7.895 70 HG21 THR 10 HG21 THR 10 5.405 -15.308 10.828 71 HG22 THR 10 HG22 THR 10 4.388 -14.070 10.093 72 HG23 THR 10 HG23 THR 10 5.778 -13.602 11.073 73 H ASP 11 HN ASP 11 8.831 -12.887 8.720 74 HA ASP 11 HA ASP 11 8.800 -10.826 10.749 75 HB2 ASP 11 HB2 ASP 11 11.256 -11.094 10.804 76 HB3 ASP 11 HB1 ASP 11 10.415 -12.628 10.969 77 H GLY 12 HN GLY 12 9.684 -10.963 7.296 78 HA2 GLY 12 HA2 GLY 12 10.823 -8.338 7.190 79 HA3 GLY 12 HA1 GLY 12 10.347 -9.331 5.821 80 H ALA 13 HN ALA 13 9.479 -6.693 7.877 81 HA ALA 13 HA ALA 13 7.075 -6.178 6.246 82 HB1 ALA 13 HB1 ALA 13 6.362 -7.189 8.383 83 HB2 ALA 13 HB2 ALA 13 5.794 -5.533 8.192 84 HB3 ALA 13 HB3 ALA 13 7.163 -5.878 9.250 85 H VAL 14 HN VAL 14 6.382 -3.924 6.231 86 HA VAL 14 HA VAL 14 8.655 -2.060 6.486 87 HB VAL 14 HB VAL 14 6.048 -1.702 4.961 88 HG11 VAL 14 HG11 VAL 14 6.894 0.454 5.515 89 HG12 VAL 14 HG12 VAL 14 7.290 0.162 3.825 90 HG13 VAL 14 HG13 VAL 14 8.536 0.000 5.062 91 HG21 VAL 14 HG21 VAL 14 7.502 -1.980 2.928 92 HG22 VAL 14 HG22 VAL 14 7.284 -3.443 3.883 93 HG23 VAL 14 HG23 VAL 14 8.791 -2.535 3.998 94 H THR 15 HN THR 15 8.704 -0.690 8.191 95 HA THR 15 HA THR 15 6.359 0.690 9.140 96 HB THR 15 HB THR 15 5.930 -1.319 10.366 97 HG1 THR 15 HG1 THR 15 5.525 -0.104 12.012 98 HG21 THR 15 HG21 THR 15 8.298 -2.238 10.249 99 HG22 THR 15 HG22 THR 15 7.402 -2.517 11.740 100 HG23 THR 15 HG23 THR 15 8.629 -1.254 11.676 101 H THR 16 HN THR 16 6.831 2.537 10.332 102 HA THR 16 HA THR 16 9.609 3.034 11.163 103 HB THR 16 HB THR 16 8.093 5.111 9.563 104 HG1 THR 16 HG1 THR 16 9.941 3.198 8.544 105 HG21 THR 16 HG21 THR 16 10.466 5.850 9.022 106 HG22 THR 16 HG22 THR 16 10.979 4.798 10.338 107 HG23 THR 16 HG23 THR 16 9.890 6.147 10.660 108 H SER 17 HN SER 17 9.816 4.985 12.568 109 HA SER 17 HA SER 17 8.076 4.921 14.738 110 HB2 SER 17 HB2 SER 17 10.065 7.072 13.971 111 HB3 SER 17 HB1 SER 17 9.279 6.954 15.547 112 HG SER 17 HG SER 17 10.358 5.087 15.958 113 H GLN 18 HN GLN 18 7.853 7.079 11.910 114 HA GLN 18 HA GLN 18 6.229 9.095 13.011 115 HB2 GLN 18 HB2 GLN 18 6.546 8.054 10.195 116 HB3 GLN 18 HB1 GLN 18 5.348 9.282 10.553 117 HG2 GLN 18 HG2 GLN 18 7.183 10.493 9.821 118 HG3 GLN 18 HG1 GLN 18 7.263 10.635 11.571 119 HE21 GLN 18 HE21 GLN 18 8.767 9.262 8.721 120 HE22 GLN 18 HE22 GLN 18 10.237 8.783 9.494 121 H ILE 19 HN ILE 19 5.025 6.370 10.977 122 HA ILE 19 HA ILE 19 2.581 6.258 12.639 123 HB ILE 19 HB ILE 19 2.622 6.044 9.602 124 HG12 ILE 19 HG12 ILE 19 1.316 8.183 11.324 125 HG13 ILE 19 HG11 ILE 19 2.880 8.376 10.551 126 HG21 ILE 19 HG21 ILE 19 0.949 4.548 10.503 127 HG22 ILE 19 HG22 ILE 19 0.137 5.946 9.807 128 HG23 ILE 19 HG23 ILE 19 0.319 5.817 11.555 129 HD11 ILE 19 HD11 ILE 19 1.852 8.207 8.364 130 HD12 ILE 19 HD12 ILE 19 1.099 9.487 9.316 131 HD13 ILE 19 HD13 ILE 19 0.276 7.942 9.109 132 HA PRO 20 HA PRO 20 4.595 2.099 12.330 133 HB2 PRO 20 HB2 PRO 20 4.683 1.487 14.944 134 HB3 PRO 20 HB1 PRO 20 5.820 2.626 14.219 135 HG2 PRO 20 HG2 PRO 20 3.364 3.166 15.835 136 HG3 PRO 20 HG1 PRO 20 4.950 3.958 15.912 137 HD2 PRO 20 HD2 PRO 20 2.743 4.955 14.575 138 HD3 PRO 20 HD1 PRO 20 4.426 5.405 14.232 139 H ALA 21 HN ALA 21 3.909 -0.064 13.640 140 HA ALA 21 HA ALA 21 1.322 -0.756 12.727 141 HB1 ALA 21 HB1 ALA 21 3.182 -2.349 12.878 142 HB2 ALA 21 HB2 ALA 21 1.737 -2.936 13.698 143 HB3 ALA 21 HB3 ALA 21 3.083 -2.287 14.637 144 H SER 22 HN SER 22 2.351 0.552 15.812 145 HA SER 22 HA SER 22 0.400 -0.446 17.544 146 HB2 SER 22 HB2 SER 22 2.390 0.933 18.218 147 HB3 SER 22 HB1 SER 22 1.539 2.365 17.640 148 HG SER 22 HG SER 22 0.179 2.246 19.305 149 H GLU 23 HN GLU 23 0.214 2.404 15.374 150 HA GLU 23 HA GLU 23 -2.555 2.941 16.146 151 HB2 GLU 23 HB2 GLU 23 -0.688 4.296 14.180 152 HB3 GLU 23 HB1 GLU 23 -2.358 4.787 14.410 153 HG2 GLU 23 HG2 GLU 23 -0.450 4.693 16.729 154 HG3 GLU 23 HG1 GLU 23 -0.479 6.068 15.627 155 H GLN 24 HN GLN 24 -0.751 1.743 13.299 156 HA GLN 24 HA GLN 24 -3.242 1.231 11.837 157 HB2 GLN 24 HB2 GLN 24 -0.342 0.937 10.992 158 HB3 GLN 24 HB1 GLN 24 -1.721 0.636 9.949 159 HG2 GLN 24 HG2 GLN 24 -1.146 3.302 11.235 160 HG3 GLN 24 HG1 GLN 24 -0.585 2.842 9.633 161 HE21 GLN 24 HE21 GLN 24 -3.451 3.510 11.586 162 HE22 GLN 24 HE22 GLN 24 -4.496 3.839 10.253 163 H GLU 25 HN GLU 25 -3.937 -0.416 13.396 164 HA GLU 25 HA GLU 25 -2.891 -3.073 12.690 165 HB2 GLU 25 HB2 GLU 25 -2.480 -1.852 15.224 166 HB3 GLU 25 HB1 GLU 25 -3.716 -3.071 15.481 167 HG2 GLU 25 HG2 GLU 25 -2.259 -4.787 14.568 168 HG3 GLU 25 HG1 GLU 25 -1.030 -3.578 14.201 169 H THR 26 HN THR 26 -4.833 -2.580 11.269 170 HA THR 26 HA THR 26 -7.254 -3.721 12.509 171 HB THR 26 HB THR 26 -7.391 -1.481 10.474 172 HG1 THR 26 HG1 THR 26 -7.454 -1.242 13.306 173 HG21 THR 26 HG21 THR 26 -9.646 -1.126 11.367 174 HG22 THR 26 HG22 THR 26 -9.436 -2.516 12.432 175 HG23 THR 26 HG23 THR 26 -9.452 -2.740 10.684 176 H LEU 27 HN LEU 27 -8.526 -5.027 11.136 177 HA LEU 27 HA LEU 27 -7.105 -6.250 8.931 178 HB2 LEU 27 HB2 LEU 27 -8.615 -7.393 10.716 179 HB3 LEU 27 HB1 LEU 27 -9.952 -6.867 9.713 180 HG LEU 27 HG LEU 27 -8.833 -8.150 7.794 181 HD11 LEU 27 HD11 LEU 27 -7.260 -9.325 10.095 182 HD12 LEU 27 HD12 LEU 27 -6.609 -8.409 8.737 183 HD13 LEU 27 HD13 LEU 27 -7.332 -9.991 8.463 184 HD21 LEU 27 HD21 LEU 27 -10.841 -8.947 8.946 185 HD22 LEU 27 HD22 LEU 27 -9.838 -9.713 10.179 186 HD23 LEU 27 HD23 LEU 27 -9.780 -10.287 8.512 187 H VAL 28 HN VAL 28 -7.734 -6.314 6.734 188 HA VAL 28 HA VAL 28 -9.800 -4.367 5.896 189 HB VAL 28 HB VAL 28 -8.436 -3.764 3.931 190 HG11 VAL 28 HG11 VAL 28 -6.878 -3.298 6.473 191 HG12 VAL 28 HG12 VAL 28 -8.360 -2.442 6.044 192 HG13 VAL 28 HG13 VAL 28 -6.925 -2.278 5.034 193 HG21 VAL 28 HG21 VAL 28 -6.094 -4.353 3.734 194 HG22 VAL 28 HG22 VAL 28 -7.061 -5.824 3.778 195 HG23 VAL 28 HG23 VAL 28 -6.175 -5.310 5.212 196 H ARG 29 HN ARG 29 -10.931 -4.806 3.934 197 HA ARG 29 HA ARG 29 -10.838 -7.636 3.057 198 HB2 ARG 29 HB2 ARG 29 -13.208 -5.770 3.353 199 HB3 ARG 29 HB1 ARG 29 -13.297 -7.320 2.533 200 HG2 ARG 29 HG2 ARG 29 -13.398 -8.482 4.450 201 HG3 ARG 29 HG1 ARG 29 -12.171 -7.496 5.240 202 HD2 ARG 29 HD2 ARG 29 -14.249 -7.253 6.423 203 HD3 ARG 29 HD1 ARG 29 -13.881 -5.735 5.606 204 HE ARG 29 HE ARG 29 -15.591 -7.422 4.042 205 HH11 ARG 29 HH11 ARG 29 -15.663 -5.102 6.717 206 HH12 ARG 29 HH12 ARG 29 -17.315 -4.675 6.441 207 HH21 ARG 29 HH21 ARG 29 -17.764 -6.831 3.714 208 HH22 ARG 29 HH22 ARG 29 -18.504 -5.652 4.744 209 HA PRO 30 HA PRO 30 -10.247 -6.063 -1.084 210 HB2 PRO 30 HB2 PRO 30 -11.062 -8.123 -2.617 211 HB3 PRO 30 HB1 PRO 30 -9.626 -8.223 -1.592 212 HG2 PRO 30 HG2 PRO 30 -12.368 -9.311 -1.118 213 HG3 PRO 30 HG1 PRO 30 -10.794 -10.051 -0.781 214 HD2 PRO 30 HD2 PRO 30 -12.372 -8.788 1.100 215 HD3 PRO 30 HD1 PRO 30 -10.619 -9.020 1.246 216 H LYS 31 HN LYS 31 -11.505 -4.339 -1.630 217 HA LYS 31 HA LYS 31 -13.887 -4.733 -3.178 218 HB2 LYS 31 HB2 LYS 31 -14.144 -4.007 -0.347 219 HB3 LYS 31 HB1 LYS 31 -14.924 -2.837 -1.396 220 HG2 LYS 31 HG2 LYS 31 -15.485 -5.732 -1.860 221 HG3 LYS 31 HG1 LYS 31 -16.196 -4.957 -0.447 222 HD2 LYS 31 HD2 LYS 31 -17.300 -3.317 -1.837 223 HD3 LYS 31 HD1 LYS 31 -16.480 -3.922 -3.275 224 HE2 LYS 31 HE2 LYS 31 -17.645 -6.067 -3.037 225 HE3 LYS 31 HE1 LYS 31 -18.459 -5.467 -1.593 226 HZ1 LYS 31 HZ1 LYS 31 -19.607 -3.840 -2.905 227 HZ2 LYS 31 HZ2 LYS 31 -19.831 -5.354 -3.622 228 HZ3 LYS 31 HZ3 LYS 31 -18.736 -4.256 -4.297 229 HA PRO 32 HA PRO 32 -12.893 0.002 -3.404 230 HB2 PRO 32 HB2 PRO 32 -10.912 1.066 -1.834 231 HB3 PRO 32 HB1 PRO 32 -12.610 0.990 -1.368 232 HG2 PRO 32 HG2 PRO 32 -10.358 -0.809 -0.611 233 HG3 PRO 32 HG1 PRO 32 -11.658 -0.158 0.398 234 HD2 PRO 32 HD2 PRO 32 -11.683 -2.679 -0.551 235 HD3 PRO 32 HD1 PRO 32 -13.163 -1.741 -0.289 236 H LEU 33 HN LEU 33 -10.650 1.470 -3.887 237 HA LEU 33 HA LEU 33 -9.356 -0.057 -5.972 238 HB2 LEU 33 HB2 LEU 33 -10.274 2.342 -6.095 239 HB3 LEU 33 HB1 LEU 33 -8.807 2.831 -5.289 240 HG LEU 33 HG LEU 33 -8.919 3.130 -7.813 241 HD11 LEU 33 HD11 LEU 33 -6.811 3.120 -6.409 242 HD12 LEU 33 HD12 LEU 33 -6.629 2.822 -8.135 243 HD13 LEU 33 HD13 LEU 33 -6.549 1.480 -7.000 244 HD21 LEU 33 HD21 LEU 33 -8.354 0.170 -7.935 245 HD22 LEU 33 HD22 LEU 33 -8.517 1.299 -9.280 246 HD23 LEU 33 HD23 LEU 33 -9.923 0.892 -8.298 247 H LEU 34 HN LEU 34 -8.204 1.460 -2.925 248 HA LEU 34 HA LEU 34 -5.480 1.440 -3.343 249 HB2 LEU 34 HB2 LEU 34 -6.918 2.151 -1.257 250 HB3 LEU 34 HB1 LEU 34 -6.479 0.572 -0.649 251 HG LEU 34 HG LEU 34 -4.979 2.168 0.298 252 HD11 LEU 34 HD11 LEU 34 -3.344 0.921 -1.897 253 HD12 LEU 34 HD12 LEU 34 -3.986 0.001 -0.536 254 HD13 LEU 34 HD13 LEU 34 -2.852 1.320 -0.251 255 HD21 LEU 34 HD21 LEU 34 -5.277 4.015 -1.233 256 HD22 LEU 34 HD22 LEU 34 -4.411 3.150 -2.501 257 HD23 LEU 34 HD23 LEU 34 -3.560 3.667 -1.046 258 H LEU 35 HN LEU 35 -7.224 -1.345 -1.848 259 HA LEU 35 HA LEU 35 -4.900 -3.001 -1.921 260 HB2 LEU 35 HB2 LEU 35 -6.524 -4.917 -1.404 261 HB3 LEU 35 HB1 LEU 35 -6.256 -3.681 -0.209 262 HG LEU 35 HG LEU 35 -8.643 -4.660 -0.663 263 HD11 LEU 35 HD11 LEU 35 -8.034 -2.902 0.968 264 HD12 LEU 35 HD12 LEU 35 -9.652 -2.738 0.294 265 HD13 LEU 35 HD13 LEU 35 -8.355 -1.691 -0.273 266 HD21 LEU 35 HD21 LEU 35 -10.012 -3.191 -2.145 267 HD22 LEU 35 HD22 LEU 35 -8.888 -4.242 -3.001 268 HD23 LEU 35 HD23 LEU 35 -8.523 -2.536 -2.805 269 H LYS 36 HN LYS 36 -6.856 -2.112 -4.503 270 HA LYS 36 HA LYS 36 -6.944 -4.578 -5.954 271 HB2 LYS 36 HB2 LYS 36 -8.332 -2.376 -6.290 272 HB3 LYS 36 HB1 LYS 36 -6.984 -1.883 -7.303 273 HG2 LYS 36 HG2 LYS 36 -7.334 -3.936 -8.671 274 HG3 LYS 36 HG1 LYS 36 -8.758 -4.295 -7.691 275 HD2 LYS 36 HD2 LYS 36 -9.720 -2.098 -8.384 276 HD3 LYS 36 HD1 LYS 36 -8.333 -1.868 -9.449 277 HE2 LYS 36 HE2 LYS 36 -9.508 -4.446 -9.960 278 HE3 LYS 36 HE1 LYS 36 -10.765 -3.213 -9.997 279 HZ1 LYS 36 HZ1 LYS 36 -9.520 -1.995 -11.639 280 HZ2 LYS 36 HZ2 LYS 36 -9.735 -3.586 -12.171 281 HZ3 LYS 36 HZ3 LYS 36 -8.236 -3.097 -11.558 282 H LEU 37 HN LEU 37 -4.473 -2.112 -5.520 283 HA LEU 37 HA LEU 37 -2.909 -2.601 -7.841 284 HB2 LEU 37 HB2 LEU 37 -2.773 -0.586 -6.344 285 HB3 LEU 37 HB1 LEU 37 -1.942 -1.569 -5.159 286 HG LEU 37 HG LEU 37 -0.762 -1.416 -7.914 287 HD11 LEU 37 HD11 LEU 37 -1.376 0.924 -7.357 288 HD12 LEU 37 HD12 LEU 37 0.362 0.662 -7.493 289 HD13 LEU 37 HD13 LEU 37 -0.387 0.801 -5.902 290 HD21 LEU 37 HD21 LEU 37 0.410 -1.536 -5.128 291 HD22 LEU 37 HD22 LEU 37 1.361 -1.434 -6.611 292 HD23 LEU 37 HD23 LEU 37 0.346 -2.841 -6.312 293 H LEU 38 HN LEU 38 -2.685 -3.934 -4.517 294 HA LEU 38 HA LEU 38 -0.402 -5.568 -5.162 295 HB2 LEU 38 HB2 LEU 38 -0.773 -6.570 -2.877 296 HB3 LEU 38 HB1 LEU 38 -0.400 -4.865 -2.949 297 HG LEU 38 HG LEU 38 -3.289 -5.331 -2.898 298 HD11 LEU 38 HD11 LEU 38 -1.691 -6.362 -0.554 299 HD12 LEU 38 HD12 LEU 38 -2.724 -7.315 -1.621 300 HD13 LEU 38 HD13 LEU 38 -3.435 -6.091 -0.571 301 HD21 LEU 38 HD21 LEU 38 -2.311 -3.156 -2.477 302 HD22 LEU 38 HD22 LEU 38 -1.400 -3.794 -1.108 303 HD23 LEU 38 HD23 LEU 38 -3.160 -3.713 -1.036 304 H LYS 39 HN LYS 39 -3.676 -6.074 -5.892 305 HA LYS 39 HA LYS 39 -3.829 -8.897 -5.403 306 HB2 LYS 39 HB2 LYS 39 -5.821 -7.382 -5.655 307 HB3 LYS 39 HB1 LYS 39 -5.478 -7.292 -7.376 308 HG2 LYS 39 HG2 LYS 39 -6.094 -9.494 -7.758 309 HG3 LYS 39 HG1 LYS 39 -5.851 -9.973 -6.082 310 HD2 LYS 39 HD2 LYS 39 -7.996 -7.976 -6.701 311 HD3 LYS 39 HD1 LYS 39 -8.274 -9.666 -7.111 312 HE2 LYS 39 HE2 LYS 39 -7.645 -10.213 -4.707 313 HE3 LYS 39 HE1 LYS 39 -7.737 -8.482 -4.390 314 HZ1 LYS 39 HZ1 LYS 39 -10.047 -8.494 -5.031 315 HZ2 LYS 39 HZ2 LYS 39 -9.797 -9.672 -3.844 316 HZ3 LYS 39 HZ3 LYS 39 -9.969 -10.129 -5.463 317 H SER 40 HN SER 40 -2.487 -6.975 -8.023 318 HA SER 40 HA SER 40 -2.326 -9.264 -9.839 319 HB2 SER 40 HB2 SER 40 -2.975 -7.011 -10.685 320 HB3 SER 40 HB1 SER 40 -1.361 -6.427 -10.279 321 HG SER 40 HG SER 40 -0.530 -7.540 -11.919 322 H VAL 41 HN VAL 41 -0.182 -7.482 -7.647 323 HA VAL 41 HA VAL 41 2.254 -8.382 -8.869 324 HB VAL 41 HB VAL 41 3.459 -7.504 -6.953 325 HG11 VAL 41 HG11 VAL 41 2.991 -5.219 -7.232 326 HG12 VAL 41 HG12 VAL 41 1.287 -5.518 -7.577 327 HG13 VAL 41 HG13 VAL 41 2.521 -5.987 -8.747 328 HG21 VAL 41 HG21 VAL 41 2.117 -6.307 -5.120 329 HG22 VAL 41 HG22 VAL 41 2.225 -8.063 -5.034 330 HG23 VAL 41 HG23 VAL 41 0.759 -7.301 -5.641 331 H GLY 42 HN GLY 42 0.373 -9.583 -6.060 332 HA2 GLY 42 HA2 GLY 42 0.873 -12.241 -6.313 333 HA3 GLY 42 HA1 GLY 42 2.312 -11.663 -5.491 334 H ALA 43 HN ALA 43 -1.245 -11.272 -5.224 335 HA ALA 43 HA ALA 43 -1.040 -11.861 -2.334 336 HB1 ALA 43 HB1 ALA 43 -1.320 -9.439 -2.656 337 HB2 ALA 43 HB2 ALA 43 -2.712 -10.163 -1.852 338 HB3 ALA 43 HB3 ALA 43 -2.805 -9.733 -3.561 339 H GLN 44 HN GLN 44 -1.810 -13.938 -2.415 340 HA GLN 44 HA GLN 44 -4.432 -14.398 -3.701 341 HB2 GLN 44 HB2 GLN 44 -2.223 -15.704 -4.333 342 HB3 GLN 44 HB1 GLN 44 -2.607 -16.649 -2.903 343 HG2 GLN 44 HG2 GLN 44 -4.708 -17.329 -3.838 344 HG3 GLN 44 HG1 GLN 44 -4.515 -16.226 -5.200 345 HE21 GLN 44 HE21 GLN 44 -3.151 -19.135 -3.677 346 HE22 GLN 44 HE22 GLN 44 -2.500 -19.793 -5.135 347 H LYS 45 HN LYS 45 -4.066 -13.252 -0.967 348 HA LYS 45 HA LYS 45 -5.130 -15.413 0.740 349 HB2 LYS 45 HB2 LYS 45 -4.012 -12.681 1.434 350 HB3 LYS 45 HB1 LYS 45 -4.795 -13.731 2.606 351 HG2 LYS 45 HG2 LYS 45 -3.012 -15.477 1.834 352 HG3 LYS 45 HG1 LYS 45 -2.155 -14.061 1.228 353 HD2 LYS 45 HD2 LYS 45 -3.136 -14.275 4.079 354 HD3 LYS 45 HD1 LYS 45 -1.555 -14.866 3.574 355 HE2 LYS 45 HE2 LYS 45 -0.930 -12.622 2.840 356 HE3 LYS 45 HE1 LYS 45 -2.527 -12.017 3.275 357 HZ1 LYS 45 HZ1 LYS 45 -0.953 -11.486 4.993 358 HZ2 LYS 45 HZ2 LYS 45 -0.484 -13.103 5.143 359 HZ3 LYS 45 HZ3 LYS 45 -2.045 -12.630 5.596 360 H ASP 46 HN ASP 46 -7.030 -14.978 2.078 361 HA ASP 46 HA ASP 46 -9.133 -13.719 0.574 362 HB2 ASP 46 HB2 ASP 46 -9.285 -15.834 2.083 363 HB3 ASP 46 HB1 ASP 46 -9.453 -14.699 3.416 364 H THR 47 HN THR 47 -7.618 -13.010 3.753 365 HA THR 47 HA THR 47 -8.529 -10.208 3.505 366 HB THR 47 HB THR 47 -8.861 -10.217 6.024 367 HG1 THR 47 HG1 THR 47 -8.353 -11.973 7.035 368 HG21 THR 47 HG21 THR 47 -10.848 -10.226 4.719 369 HG22 THR 47 HG22 THR 47 -11.049 -11.411 6.010 370 HG23 THR 47 HG23 THR 47 -10.686 -11.948 4.370 371 H TYR 48 HN TYR 48 -7.051 -8.660 4.087 372 HA TYR 48 HA TYR 48 -4.406 -9.577 5.057 373 HB2 TYR 48 HB2 TYR 48 -4.606 -6.958 3.628 374 HB3 TYR 48 HB1 TYR 48 -3.316 -8.147 3.619 375 HD1 TYR 48 HD1 TYR 48 -3.661 -10.274 2.197 376 HD2 TYR 48 HD2 TYR 48 -6.131 -6.817 1.829 377 HE1 TYR 48 HE1 TYR 48 -4.383 -11.025 -0.028 378 HE2 TYR 48 HE2 TYR 48 -6.856 -7.569 -0.393 379 HH TYR 48 HH TYR 48 -6.888 -10.262 -1.517 380 H THR 49 HN THR 49 -3.140 -7.595 6.069 381 HA THR 49 HA THR 49 -4.946 -6.197 7.964 382 HB THR 49 HB THR 49 -2.932 -6.138 9.499 383 HG1 THR 49 HG1 THR 49 -1.123 -7.031 8.908 384 HG21 THR 49 HG21 THR 49 -3.068 -8.415 10.289 385 HG22 THR 49 HG22 THR 49 -3.834 -8.919 8.783 386 HG23 THR 49 HG23 THR 49 -4.672 -7.812 9.872 387 H MET 50 HN MET 50 -3.933 -4.095 8.844 388 HA MET 50 HA MET 50 -3.326 -2.382 6.630 389 HB2 MET 50 HB2 MET 50 -4.587 -1.833 8.862 390 HB3 MET 50 HB1 MET 50 -2.981 -1.518 9.497 391 HG2 MET 50 HG2 MET 50 -3.775 0.571 8.834 392 HG3 MET 50 HG1 MET 50 -2.681 0.092 7.541 393 HE1 MET 50 HE1 MET 50 -5.010 1.873 5.198 394 HE2 MET 50 HE2 MET 50 -3.437 1.767 5.989 395 HE3 MET 50 HE3 MET 50 -4.803 2.501 6.829 396 H LYS 51 HN LYS 51 -1.298 -4.201 8.784 397 HA LYS 51 HA LYS 51 1.066 -2.553 8.351 398 HB2 LYS 51 HB2 LYS 51 0.492 -3.827 10.514 399 HB3 LYS 51 HB1 LYS 51 0.999 -5.277 9.666 400 HG2 LYS 51 HG2 LYS 51 2.940 -3.056 9.580 401 HG3 LYS 51 HG1 LYS 51 2.611 -3.685 11.189 402 HD2 LYS 51 HD2 LYS 51 3.298 -5.519 8.896 403 HD3 LYS 51 HD1 LYS 51 4.549 -4.718 9.842 404 HE2 LYS 51 HE2 LYS 51 2.396 -6.355 11.168 405 HE3 LYS 51 HE1 LYS 51 3.848 -7.105 10.512 406 HZ1 LYS 51 HZ1 LYS 51 3.811 -4.967 12.581 407 HZ2 LYS 51 HZ2 LYS 51 5.192 -5.730 11.966 408 HZ3 LYS 51 HZ3 LYS 51 4.070 -6.614 12.870 409 H GLU 52 HN GLU 52 -0.285 -5.642 7.198 410 HA GLU 52 HA GLU 52 2.072 -6.373 5.697 411 HB2 GLU 52 HB2 GLU 52 -0.528 -7.608 6.303 412 HB3 GLU 52 HB1 GLU 52 0.009 -7.931 4.668 413 HG2 GLU 52 HG2 GLU 52 1.795 -8.396 7.041 414 HG3 GLU 52 HG1 GLU 52 0.638 -9.603 6.483 415 H VAL 53 HN VAL 53 -0.946 -4.664 4.965 416 HA VAL 53 HA VAL 53 -0.872 -4.842 2.157 417 HB VAL 53 HB VAL 53 -2.810 -4.042 3.610 418 HG11 VAL 53 HG11 VAL 53 -1.440 -2.241 4.765 419 HG12 VAL 53 HG12 VAL 53 -3.056 -1.789 4.231 420 HG13 VAL 53 HG13 VAL 53 -1.647 -1.279 3.300 421 HG21 VAL 53 HG21 VAL 53 -2.949 -4.039 1.193 422 HG22 VAL 53 HG22 VAL 53 -2.163 -2.462 1.119 423 HG23 VAL 53 HG23 VAL 53 -3.762 -2.617 1.844 424 H LEU 54 HN LEU 54 1.023 -2.823 4.320 425 HA LEU 54 HA LEU 54 1.815 -0.880 2.367 426 HB2 LEU 54 HB2 LEU 54 1.987 -1.052 5.127 427 HB3 LEU 54 HB1 LEU 54 3.651 -1.284 4.650 428 HG LEU 54 HG LEU 54 3.215 1.045 5.203 429 HD11 LEU 54 HD11 LEU 54 4.871 0.512 3.441 430 HD12 LEU 54 HD12 LEU 54 4.158 2.116 3.278 431 HD13 LEU 54 HD13 LEU 54 3.624 0.804 2.227 432 HD21 LEU 54 HD21 LEU 54 0.797 1.054 4.612 433 HD22 LEU 54 HD22 LEU 54 1.250 1.129 2.909 434 HD23 LEU 54 HD23 LEU 54 1.684 2.448 3.996 435 H PHE 55 HN PHE 55 3.146 -3.983 3.461 436 HA PHE 55 HA PHE 55 5.693 -3.767 2.220 437 HB2 PHE 55 HB2 PHE 55 5.118 -5.404 4.029 438 HB3 PHE 55 HB1 PHE 55 4.165 -6.312 2.867 439 HD1 PHE 55 HD2 PHE 55 5.304 -7.525 1.006 440 HD2 PHE 55 HD1 PHE 55 7.519 -5.582 4.093 441 HE1 PHE 55 HE2 PHE 55 7.304 -8.805 0.380 442 HE2 PHE 55 HE1 PHE 55 9.520 -6.869 3.460 443 HZ PHE 55 HZ PHE 55 9.412 -8.480 1.607 444 H TYR 56 HN TYR 56 2.596 -5.168 1.067 445 HA TYR 56 HA TYR 56 3.619 -6.180 -1.391 446 HB2 TYR 56 HB2 TYR 56 0.780 -5.442 -0.626 447 HB3 TYR 56 HB1 TYR 56 1.224 -6.273 -2.110 448 HD1 TYR 56 HD2 TYR 56 2.492 -8.540 -1.842 449 HD2 TYR 56 HD1 TYR 56 0.261 -6.691 1.283 450 HE1 TYR 56 HE2 TYR 56 2.306 -10.703 -0.699 451 HE2 TYR 56 HE1 TYR 56 0.071 -8.852 2.431 452 HH TYR 56 HH TYR 56 0.356 -11.635 1.184 453 H LEU 57 HN LEU 57 2.305 -2.999 -0.500 454 HA LEU 57 HA LEU 57 2.017 -1.999 -3.157 455 HB2 LEU 57 HB2 LEU 57 1.220 -1.110 -0.717 456 HB3 LEU 57 HB1 LEU 57 2.592 -0.052 -0.974 457 HG LEU 57 HG LEU 57 0.346 -0.318 -2.986 458 HD11 LEU 57 HD11 LEU 57 -0.617 0.414 -0.867 459 HD12 LEU 57 HD12 LEU 57 -0.620 1.720 -2.050 460 HD13 LEU 57 HD13 LEU 57 0.580 1.706 -0.756 461 HD21 LEU 57 HD21 LEU 57 2.515 1.747 -2.575 462 HD22 LEU 57 HD22 LEU 57 1.162 1.939 -3.689 463 HD23 LEU 57 HD23 LEU 57 2.330 0.645 -3.939 464 H GLY 58 HN GLY 58 4.724 -1.969 -0.831 465 HA2 GLY 58 HA2 GLY 58 6.400 -0.207 -2.342 466 HA3 GLY 58 HA1 GLY 58 6.893 -1.217 -0.996 467 H GLN 59 HN GLN 59 5.816 -3.666 -2.540 468 HA GLN 59 HA GLN 59 8.273 -4.456 -3.723 469 HB2 GLN 59 HB2 GLN 59 5.509 -5.680 -3.778 470 HB3 GLN 59 HB1 GLN 59 6.874 -6.430 -4.589 471 HG2 GLN 59 HG2 GLN 59 7.031 -5.732 -1.673 472 HG3 GLN 59 HG1 GLN 59 6.217 -7.200 -2.209 473 HE21 GLN 59 HE21 GLN 59 9.304 -5.560 -1.919 474 HE22 GLN 59 HE22 GLN 59 10.282 -6.946 -2.248 475 H TYR 60 HN TYR 60 5.271 -3.153 -5.137 476 HA TYR 60 HA TYR 60 5.940 -3.665 -7.871 477 HB2 TYR 60 HB2 TYR 60 3.622 -3.116 -6.866 478 HB3 TYR 60 HB1 TYR 60 4.120 -1.433 -6.935 479 HD1 TYR 60 HD2 TYR 60 4.085 -4.419 -9.235 480 HD2 TYR 60 HD1 TYR 60 3.352 -0.242 -8.785 481 HE1 TYR 60 HE2 TYR 60 3.286 -4.312 -11.554 482 HE2 TYR 60 HE1 TYR 60 2.553 -0.133 -11.105 483 HH TYR 60 HH TYR 60 1.480 -2.362 -12.798 484 H ILE 61 HN ILE 61 6.490 -0.925 -5.689 485 HA ILE 61 HA ILE 61 7.563 0.871 -7.652 486 HB ILE 61 HB ILE 61 7.769 0.889 -4.617 487 HG12 ILE 61 HG12 ILE 61 5.989 2.668 -6.299 488 HG13 ILE 61 HG11 ILE 61 5.452 1.077 -5.779 489 HG21 ILE 61 HG21 ILE 61 8.334 3.284 -4.787 490 HG22 ILE 61 HG22 ILE 61 8.419 3.133 -6.537 491 HG23 ILE 61 HG23 ILE 61 9.561 2.261 -5.523 492 HD11 ILE 61 HD11 ILE 61 6.212 3.388 -4.012 493 HD12 ILE 61 HD12 ILE 61 5.807 1.771 -3.434 494 HD13 ILE 61 HD13 ILE 61 4.598 2.731 -4.284 495 H MET 62 HN MET 62 8.928 -1.731 -5.709 496 HA MET 62 HA MET 62 11.684 -0.897 -6.113 497 HB2 MET 62 HB2 MET 62 11.044 -1.901 -3.989 498 HB3 MET 62 HB1 MET 62 10.500 -3.358 -4.798 499 HG2 MET 62 HG2 MET 62 13.306 -2.685 -5.348 500 HG3 MET 62 HG1 MET 62 12.970 -2.952 -3.643 501 HE1 MET 62 HE1 MET 62 14.728 -4.598 -6.101 502 HE2 MET 62 HE2 MET 62 14.620 -6.239 -5.468 503 HE3 MET 62 HE3 MET 62 15.016 -4.901 -4.387 504 H THR 63 HN THR 63 9.584 -3.579 -7.289 505 HA THR 63 HA THR 63 11.685 -4.767 -8.843 506 HB THR 63 HB THR 63 9.777 -6.050 -7.870 507 HG1 THR 63 HG1 THR 63 10.141 -7.501 -9.341 508 HG21 THR 63 HG21 THR 63 7.969 -4.423 -8.688 509 HG22 THR 63 HG22 THR 63 7.649 -6.153 -8.798 510 HG23 THR 63 HG23 THR 63 8.122 -5.251 -10.237 511 H LYS 64 HN LYS 64 8.998 -2.570 -9.698 512 HA LYS 64 HA LYS 64 9.595 -2.725 -12.538 513 HB2 LYS 64 HB2 LYS 64 7.643 -1.043 -10.964 514 HB3 LYS 64 HB1 LYS 64 7.828 -0.908 -12.702 515 HG2 LYS 64 HG2 LYS 64 7.198 -3.559 -11.440 516 HG3 LYS 64 HG1 LYS 64 5.929 -2.374 -11.722 517 HD2 LYS 64 HD2 LYS 64 7.780 -3.198 -13.951 518 HD3 LYS 64 HD1 LYS 64 6.389 -4.191 -13.520 519 HE2 LYS 64 HE2 LYS 64 4.900 -2.279 -13.910 520 HE3 LYS 64 HE1 LYS 64 6.290 -1.281 -14.334 521 HZ1 LYS 64 HZ1 LYS 64 6.725 -2.762 -16.208 522 HZ2 LYS 64 HZ2 LYS 64 5.175 -2.091 -16.304 523 HZ3 LYS 64 HZ3 LYS 64 5.370 -3.696 -15.806 524 H ARG 65 HN ARG 65 11.019 -0.971 -9.993 525 HA ARG 65 HA ARG 65 12.499 0.729 -9.869 526 HB2 ARG 65 HB2 ARG 65 12.664 0.440 -12.883 527 HB3 ARG 65 HB1 ARG 65 13.774 1.377 -11.898 528 HG2 ARG 65 HG2 ARG 65 14.628 -0.583 -10.843 529 HG3 ARG 65 HG1 ARG 65 13.364 -1.590 -11.550 530 HD2 ARG 65 HD2 ARG 65 14.267 -1.183 -13.779 531 HD3 ARG 65 HD1 ARG 65 15.508 -0.130 -13.101 532 HE ARG 65 HE ARG 65 15.817 -2.553 -11.820 533 HH11 ARG 65 HH11 ARG 65 15.971 -1.478 -15.192 534 HH12 ARG 65 HH12 ARG 65 17.098 -2.709 -15.644 535 HH21 ARG 65 HH21 ARG 65 17.302 -4.155 -12.458 536 HH22 ARG 65 HH22 ARG 65 17.853 -4.222 -14.098 537 H LEU 66 HN LEU 66 10.663 2.001 -9.133 538 HA LEU 66 HA LEU 66 9.712 4.054 -11.029 539 HB2 LEU 66 HB2 LEU 66 8.599 2.840 -8.534 540 HB3 LEU 66 HB1 LEU 66 8.169 4.499 -8.878 541 HG LEU 66 HG LEU 66 6.479 2.813 -9.611 542 HD11 LEU 66 HD11 LEU 66 7.676 4.475 -11.825 543 HD12 LEU 66 HD12 LEU 66 6.499 5.011 -10.625 544 HD13 LEU 66 HD13 LEU 66 6.049 3.789 -11.813 545 HD21 LEU 66 HD21 LEU 66 8.121 1.070 -10.328 546 HD22 LEU 66 HD22 LEU 66 8.461 2.046 -11.756 547 HD23 LEU 66 HD23 LEU 66 6.844 1.391 -11.502 548 H TYR 67 HN TYR 67 11.259 3.667 -7.818 549 HA TYR 67 HA TYR 67 11.767 6.554 -7.705 550 HB2 TYR 67 HB2 TYR 67 12.148 6.363 -5.392 551 HB3 TYR 67 HB1 TYR 67 10.810 5.277 -5.697 552 HD1 TYR 67 HD1 TYR 67 11.528 2.705 -6.037 553 HD2 TYR 67 HD2 TYR 67 13.888 5.637 -4.028 554 HE1 TYR 67 HE1 TYR 67 12.725 0.927 -4.848 555 HE2 TYR 67 HE2 TYR 67 15.088 3.854 -2.843 556 HH TYR 67 HH TYR 67 14.219 1.113 -2.269 557 H ASP 68 HN ASP 68 13.253 6.533 -9.484 558 HA ASP 68 HA ASP 68 15.810 5.155 -9.093 559 HB2 ASP 68 HB2 ASP 68 14.513 5.252 -11.329 560 HB3 ASP 68 HB1 ASP 68 15.096 6.905 -11.458 561 H GLU 69 HN GLU 69 17.050 6.212 -7.614 562 HA GLU 69 HA GLU 69 18.037 8.880 -8.262 563 HB2 GLU 69 HB2 GLU 69 15.947 8.941 -6.616 564 HB3 GLU 69 HB1 GLU 69 17.132 8.469 -5.415 565 HG2 GLU 69 HG2 GLU 69 17.031 10.776 -5.216 566 HG3 GLU 69 HG1 GLU 69 18.471 10.522 -6.191 567 H LYS 70 HN LYS 70 20.013 9.430 -7.025 568 HA LYS 70 HA LYS 70 21.811 7.267 -6.791 569 HB2 LYS 70 HB2 LYS 70 21.951 10.181 -6.073 570 HB3 LYS 70 HB1 LYS 70 23.239 9.111 -5.544 571 HG2 LYS 70 HG2 LYS 70 22.715 8.668 -8.345 572 HG3 LYS 70 HG1 LYS 70 22.943 10.391 -8.042 573 HD2 LYS 70 HD2 LYS 70 25.087 9.975 -7.004 574 HD3 LYS 70 HD1 LYS 70 24.850 8.231 -7.125 575 HE2 LYS 70 HE2 LYS 70 24.878 8.389 -9.563 576 HE3 LYS 70 HE1 LYS 70 25.079 10.138 -9.458 577 HZ1 LYS 70 HZ1 LYS 70 27.204 9.795 -8.359 578 HZ2 LYS 70 HZ2 LYS 70 27.181 9.021 -9.861 579 HZ3 LYS 70 HZ3 LYS 70 27.008 8.115 -8.444 580 H GLN 71 HN GLN 71 20.172 9.184 -4.224 581 HA GLN 71 HA GLN 71 20.906 7.064 -2.294 582 HB2 GLN 71 HB2 GLN 71 20.664 10.050 -1.841 583 HB3 GLN 71 HB1 GLN 71 20.695 8.885 -0.523 584 HG2 GLN 71 HG2 GLN 71 22.918 8.142 -1.229 585 HG3 GLN 71 HG1 GLN 71 22.887 9.301 -2.557 586 HE21 GLN 71 HE21 GLN 71 22.744 11.618 -1.955 587 HE22 GLN 71 HE22 GLN 71 23.483 12.133 -0.480 588 H GLN 72 HN GLN 72 18.554 9.777 -1.983 589 HA GLN 72 HA GLN 72 16.191 8.431 -2.566 590 HB2 GLN 72 HB2 GLN 72 15.271 7.991 -0.258 591 HB3 GLN 72 HB1 GLN 72 16.526 6.881 -0.769 592 HG2 GLN 72 HG2 GLN 72 18.074 8.581 0.566 593 HG3 GLN 72 HG1 GLN 72 16.555 8.936 1.386 594 HE21 GLN 72 HE21 GLN 72 18.952 6.443 0.712 595 HE22 GLN 72 HE22 GLN 72 18.479 5.388 1.996 596 H HIS 73 HN HIS 73 14.826 10.103 -2.990 597 HA HIS 73 HA HIS 73 14.427 12.215 -1.055 598 HB2 HIS 73 HB2 HIS 73 16.485 12.869 -2.450 599 HB3 HIS 73 HB1 HIS 73 15.370 13.095 -3.793 600 HD1 HIS 73 HD1 HIS 73 15.877 14.399 -0.240 601 HD2 HIS 73 HD2 HIS 73 14.296 15.596 -3.897 602 HE1 HIS 73 HE1 HIS 73 15.229 16.812 0.060 603 HE2 HIS 73 HE2 HIS 73 14.222 17.497 -2.143 604 H ILE 74 HN ILE 74 13.829 11.588 -4.571 605 HA ILE 74 HA ILE 74 10.946 11.905 -4.043 606 HB ILE 74 HB ILE 74 11.905 14.053 -4.895 607 HG12 ILE 74 HG12 ILE 74 9.984 12.928 -6.945 608 HG13 ILE 74 HG11 ILE 74 9.490 13.235 -5.286 609 HG21 ILE 74 HG21 ILE 74 13.631 13.159 -6.377 610 HG22 ILE 74 HG22 ILE 74 12.581 14.293 -7.220 611 HG23 ILE 74 HG23 ILE 74 12.390 12.561 -7.478 612 HD11 ILE 74 HD11 ILE 74 8.820 15.123 -6.475 613 HD12 ILE 74 HD12 ILE 74 10.333 15.207 -7.375 614 HD13 ILE 74 HD13 ILE 74 10.303 15.622 -5.662 615 H VAL 75 HN VAL 75 9.521 10.816 -5.443 616 HA VAL 75 HA VAL 75 10.742 8.763 -7.194 617 HB VAL 75 HB VAL 75 9.816 7.699 -5.213 618 HG11 VAL 75 HG11 VAL 75 8.194 9.337 -4.490 619 HG12 VAL 75 HG12 VAL 75 7.425 7.762 -4.653 620 HG13 VAL 75 HG13 VAL 75 7.175 8.995 -5.888 621 HG21 VAL 75 HG21 VAL 75 7.876 7.116 -7.446 622 HG22 VAL 75 HG22 VAL 75 8.489 6.014 -6.213 623 HG23 VAL 75 HG23 VAL 75 9.562 6.608 -7.475 624 H TYR 76 HN TYR 76 9.867 8.441 -9.232 625 HA TYR 76 HA TYR 76 7.801 10.371 -10.112 626 HB2 TYR 76 HB2 TYR 76 9.981 9.001 -11.720 627 HB3 TYR 76 HB1 TYR 76 8.762 10.076 -12.392 628 HD1 TYR 76 HD2 TYR 76 8.845 12.509 -11.927 629 HD2 TYR 76 HD1 TYR 76 11.876 9.884 -10.470 630 HE1 TYR 76 HE2 TYR 76 10.297 14.435 -11.476 631 HE2 TYR 76 HE1 TYR 76 13.329 11.811 -10.017 632 HH TYR 76 HH TYR 76 12.562 14.638 -9.569 633 H CYS 77 HN CYS 77 6.163 9.690 -11.588 634 HA CYS 77 HA CYS 77 5.727 6.770 -11.815 635 HB2 CYS 77 HB2 CYS 77 3.660 8.860 -11.064 636 HB3 CYS 77 HB1 CYS 77 3.287 7.185 -11.451 637 HG CYS 77 HG CYS 77 3.509 7.728 -8.806 638 H SER 78 HN SER 78 5.249 6.087 -13.850 639 HA SER 78 HA SER 78 3.935 7.849 -15.769 640 HB2 SER 78 HB2 SER 78 6.730 6.773 -16.256 641 HB3 SER 78 HB1 SER 78 5.714 7.512 -17.494 642 HG SER 78 HG SER 78 7.197 8.995 -16.528 643 H ASN 79 HN ASN 79 2.539 6.713 -17.011 644 HA ASN 79 HA ASN 79 1.343 5.012 -17.906 645 HB2 ASN 79 HB2 ASN 79 4.106 3.852 -18.372 646 HB3 ASN 79 HB1 ASN 79 2.634 3.241 -19.115 647 HD21 ASN 79 HD21 ASN 79 5.236 4.794 -19.985 648 HD22 ASN 79 HD22 ASN 79 4.598 5.960 -21.090 649 H ASP 80 HN ASP 80 1.188 4.868 -15.230 650 HA ASP 80 HA ASP 80 0.836 2.009 -14.736 651 HB2 ASP 80 HB2 ASP 80 2.649 3.780 -13.080 652 HB3 ASP 80 HB1 ASP 80 1.882 2.358 -12.382 653 H LEU 81 HN LEU 81 -0.324 1.686 -12.538 654 HA LEU 81 HA LEU 81 -2.435 3.716 -12.327 655 HB2 LEU 81 HB2 LEU 81 -3.662 1.943 -10.969 656 HB3 LEU 81 HB1 LEU 81 -3.496 1.690 -12.682 657 HG LEU 81 HG LEU 81 -3.276 -0.310 -11.068 658 HD11 LEU 81 HD11 LEU 81 -1.077 -0.072 -13.105 659 HD12 LEU 81 HD12 LEU 81 -2.775 -0.310 -13.519 660 HD13 LEU 81 HD13 LEU 81 -1.923 -1.519 -12.562 661 HD21 LEU 81 HD21 LEU 81 -1.632 0.748 -9.540 662 HD22 LEU 81 HD22 LEU 81 -0.422 0.634 -10.815 663 HD23 LEU 81 HD23 LEU 81 -1.137 -0.829 -10.146 664 H LEU 82 HN LEU 82 0.333 3.863 -11.006 665 HA LEU 82 HA LEU 82 -0.115 3.705 -8.177 666 HB2 LEU 82 HB2 LEU 82 2.117 3.653 -9.613 667 HB3 LEU 82 HB1 LEU 82 2.066 5.383 -9.394 668 HG LEU 82 HG LEU 82 3.569 4.350 -7.797 669 HD11 LEU 82 HD11 LEU 82 2.872 5.398 -5.808 670 HD12 LEU 82 HD12 LEU 82 1.167 5.242 -6.225 671 HD13 LEU 82 HD13 LEU 82 2.198 6.352 -7.128 672 HD21 LEU 82 HD21 LEU 82 1.205 2.803 -6.727 673 HD22 LEU 82 HD22 LEU 82 2.848 2.794 -6.083 674 HD23 LEU 82 HD23 LEU 82 2.526 2.129 -7.686 675 H GLY 83 HN GLY 83 -0.287 6.299 -10.615 676 HA2 GLY 83 HA2 GLY 83 -0.774 8.378 -8.645 677 HA3 GLY 83 HA1 GLY 83 -0.752 8.562 -10.387 678 H ASP 84 HN ASP 84 -2.848 5.990 -9.586 679 HA ASP 84 HA ASP 84 -5.186 7.677 -10.077 680 HB2 ASP 84 HB2 ASP 84 -4.701 5.452 -11.284 681 HB3 ASP 84 HB1 ASP 84 -5.199 4.664 -9.793 682 H LEU 85 HN LEU 85 -3.783 5.735 -7.477 683 HA LEU 85 HA LEU 85 -6.146 5.904 -5.803 684 HB2 LEU 85 HB2 LEU 85 -4.234 5.090 -4.034 685 HB3 LEU 85 HB1 LEU 85 -5.227 4.029 -4.996 686 HG LEU 85 HG LEU 85 -2.583 4.893 -6.126 687 HD11 LEU 85 HD11 LEU 85 -1.414 3.088 -4.991 688 HD12 LEU 85 HD12 LEU 85 -2.857 2.725 -4.044 689 HD13 LEU 85 HD13 LEU 85 -2.027 4.267 -3.832 690 HD21 LEU 85 HD21 LEU 85 -4.141 3.531 -7.471 691 HD22 LEU 85 HD22 LEU 85 -4.100 2.278 -6.232 692 HD23 LEU 85 HD23 LEU 85 -2.638 2.676 -7.132 693 H PHE 86 HN PHE 86 -2.899 7.421 -5.813 694 HA PHE 86 HA PHE 86 -3.590 9.109 -3.540 695 HB2 PHE 86 HB2 PHE 86 -1.088 9.217 -5.251 696 HB3 PHE 86 HB1 PHE 86 -1.321 9.974 -3.682 697 HD1 PHE 86 HD1 PHE 86 -2.584 7.674 -2.183 698 HD2 PHE 86 HD2 PHE 86 0.731 7.793 -4.870 699 HE1 PHE 86 HE1 PHE 86 -1.628 5.694 -1.100 700 HE2 PHE 86 HE2 PHE 86 1.679 5.809 -3.780 701 HZ PHE 86 HZ PHE 86 0.504 4.756 -1.894 702 H GLY 87 HN GLY 87 -2.834 9.620 -7.022 703 HA2 GLY 87 HA2 GLY 87 -3.897 11.169 -8.433 704 HA3 GLY 87 HA1 GLY 87 -4.564 11.986 -7.032 705 H VAL 88 HN VAL 88 -1.171 11.178 -7.840 706 HA VAL 88 HA VAL 88 -0.494 13.902 -8.466 707 HB VAL 88 HB VAL 88 -0.566 14.062 -6.017 708 HG11 VAL 88 HG11 VAL 88 1.611 11.977 -5.936 709 HG12 VAL 88 HG12 VAL 88 -0.055 11.757 -5.408 710 HG13 VAL 88 HG13 VAL 88 0.994 12.892 -4.562 711 HG21 VAL 88 HG21 VAL 88 2.276 14.236 -7.024 712 HG22 VAL 88 HG22 VAL 88 1.601 15.083 -5.631 713 HG23 VAL 88 HG23 VAL 88 1.027 15.461 -7.254 714 HA PRO 89 HA PRO 89 2.415 11.395 -10.828 715 HB2 PRO 89 HB2 PRO 89 3.884 13.387 -11.981 716 HB3 PRO 89 HB1 PRO 89 2.259 12.944 -12.514 717 HG2 PRO 89 HG2 PRO 89 3.121 15.191 -10.731 718 HG3 PRO 89 HG1 PRO 89 1.937 15.196 -12.053 719 HD2 PRO 89 HD2 PRO 89 1.219 15.069 -9.448 720 HD3 PRO 89 HD1 PRO 89 0.277 14.295 -10.737 721 H SER 90 HN SER 90 3.811 14.097 -8.886 722 HA SER 90 HA SER 90 6.072 12.321 -8.192 723 HB2 SER 90 HB2 SER 90 7.567 14.284 -8.184 724 HB3 SER 90 HB1 SER 90 6.858 14.014 -9.773 725 HG SER 90 HG SER 90 6.767 16.211 -9.206 726 H PHE 91 HN PHE 91 6.453 12.049 -6.075 727 HA PHE 91 HA PHE 91 5.667 14.076 -4.121 728 HB2 PHE 91 HB2 PHE 91 4.470 12.405 -2.697 729 HB3 PHE 91 HB1 PHE 91 3.651 12.747 -4.211 730 HD1 PHE 91 HD1 PHE 91 3.581 11.048 -6.008 731 HD2 PHE 91 HD2 PHE 91 5.329 10.201 -2.213 732 HE1 PHE 91 HE1 PHE 91 3.480 8.644 -6.497 733 HE2 PHE 91 HE2 PHE 91 5.231 7.796 -2.706 734 HZ PHE 91 HZ PHE 91 4.306 7.015 -4.849 735 H SER 92 HN SER 92 6.525 13.620 -1.921 736 HA SER 92 HA SER 92 9.255 12.763 -2.057 737 HB2 SER 92 HB2 SER 92 7.555 13.624 0.302 738 HB3 SER 92 HB1 SER 92 9.286 13.296 0.403 739 HG SER 92 HG SER 92 9.705 15.103 -0.668 740 H VAL 93 HN VAL 93 10.246 10.926 -1.289 741 HA VAL 93 HA VAL 93 8.514 8.662 -0.658 742 HB VAL 93 HB VAL 93 10.307 8.532 -2.440 743 HG11 VAL 93 HG11 VAL 93 12.248 8.227 -0.147 744 HG12 VAL 93 HG12 VAL 93 12.102 9.679 -1.136 745 HG13 VAL 93 HG13 VAL 93 12.599 8.159 -1.874 746 HG21 VAL 93 HG21 VAL 93 10.415 6.451 -0.249 747 HG22 VAL 93 HG22 VAL 93 10.913 6.218 -1.924 748 HG23 VAL 93 HG23 VAL 93 9.223 6.536 -1.547 749 H LYS 94 HN LYS 94 11.080 10.582 0.896 750 HA LYS 94 HA LYS 94 11.312 8.821 3.160 751 HB2 LYS 94 HB2 LYS 94 12.804 10.468 4.130 752 HB3 LYS 94 HB1 LYS 94 13.226 10.170 2.455 753 HG2 LYS 94 HG2 LYS 94 11.457 12.406 2.506 754 HG3 LYS 94 HG1 LYS 94 12.663 12.651 3.763 755 HD2 LYS 94 HD2 LYS 94 13.331 11.960 0.894 756 HD3 LYS 94 HD1 LYS 94 13.246 13.607 1.508 757 HE2 LYS 94 HE2 LYS 94 15.104 11.472 2.582 758 HE3 LYS 94 HE1 LYS 94 15.557 12.688 1.392 759 HZ1 LYS 94 HZ1 LYS 94 14.899 14.390 3.097 760 HZ2 LYS 94 HZ2 LYS 94 16.267 13.473 3.481 761 HZ3 LYS 94 HZ3 LYS 94 14.787 13.128 4.221 762 H GLU 95 HN GLU 95 9.308 11.638 2.423 763 HA GLU 95 HA GLU 95 8.467 12.029 5.166 764 HB2 GLU 95 HB2 GLU 95 7.713 13.241 2.521 765 HB3 GLU 95 HB1 GLU 95 6.576 13.385 3.849 766 HG2 GLU 95 HG2 GLU 95 7.835 15.355 3.890 767 HG3 GLU 95 HG1 GLU 95 8.462 14.376 5.211 768 H HIS 96 HN HIS 96 7.652 10.109 5.911 769 HA HIS 96 HA HIS 96 5.780 8.497 4.451 770 HB2 HIS 96 HB2 HIS 96 6.538 8.294 7.374 771 HB3 HIS 96 HB1 HIS 96 5.764 7.050 6.404 772 HD1 HIS 96 HD1 HIS 96 8.525 6.723 7.919 773 HD2 HIS 96 HD2 HIS 96 8.071 7.513 3.860 774 HE1 HIS 96 HE1 HIS 96 10.648 5.917 6.828 775 HE2 HIS 96 HE2 HIS 96 10.332 6.369 4.377 776 H ARG 97 HN ARG 97 5.320 11.241 6.511 777 HA ARG 97 HA ARG 97 2.703 10.521 7.485 778 HB2 ARG 97 HB2 ARG 97 4.239 12.076 8.679 779 HB3 ARG 97 HB1 ARG 97 4.021 13.249 7.398 780 HG2 ARG 97 HG2 ARG 97 1.509 12.305 8.623 781 HG3 ARG 97 HG1 ARG 97 2.590 13.144 9.728 782 HD2 ARG 97 HD2 ARG 97 2.230 14.504 7.134 783 HD3 ARG 97 HD1 ARG 97 0.759 14.342 8.079 784 HE ARG 97 HE ARG 97 1.640 15.723 9.724 785 HH11 ARG 97 HH11 ARG 97 4.075 15.309 7.165 786 HH12 ARG 97 HH12 ARG 97 5.057 16.602 7.753 787 HH21 ARG 97 HH21 ARG 97 2.971 17.422 10.444 788 HH22 ARG 97 HH22 ARG 97 4.435 17.795 9.600 789 H LYS 98 HN LYS 98 3.791 11.706 4.430 790 HA LYS 98 HA LYS 98 1.328 13.125 3.795 791 HB2 LYS 98 HB2 LYS 98 3.807 12.554 2.157 792 HB3 LYS 98 HB1 LYS 98 2.425 13.462 1.559 793 HG2 LYS 98 HG2 LYS 98 2.771 15.129 3.341 794 HG3 LYS 98 HG1 LYS 98 4.187 14.228 3.887 795 HD2 LYS 98 HD2 LYS 98 5.201 14.567 1.631 796 HD3 LYS 98 HD1 LYS 98 3.818 15.578 1.204 797 HE2 LYS 98 HE2 LYS 98 5.620 16.143 3.560 798 HE3 LYS 98 HE1 LYS 98 5.897 16.803 1.951 799 HZ1 LYS 98 HZ1 LYS 98 4.729 18.408 3.249 800 HZ2 LYS 98 HZ2 LYS 98 3.539 17.292 3.692 801 HZ3 LYS 98 HZ3 LYS 98 3.653 17.815 2.086 802 H ILE 99 HN ILE 99 2.932 10.094 2.685 803 HA ILE 99 HA ILE 99 0.708 9.514 0.909 804 HB ILE 99 HB ILE 99 1.904 7.332 0.448 805 HG12 ILE 99 HG12 ILE 99 3.373 7.744 2.687 806 HG13 ILE 99 HG11 ILE 99 3.912 6.755 1.345 807 HG21 ILE 99 HG21 ILE 99 1.973 9.093 -1.123 808 HG22 ILE 99 HG22 ILE 99 3.600 8.426 -0.998 809 HG23 ILE 99 HG23 ILE 99 3.213 9.956 -0.211 810 HD11 ILE 99 HD11 ILE 99 5.566 8.392 2.364 811 HD12 ILE 99 HD12 ILE 99 4.654 9.657 1.545 812 HD13 ILE 99 HD13 ILE 99 5.424 8.378 0.609 813 H TYR 100 HN TYR 100 1.689 8.368 4.132 814 HA TYR 100 HA TYR 100 0.027 6.059 4.146 815 HB2 TYR 100 HB2 TYR 100 1.879 7.114 5.925 816 HB3 TYR 100 HB1 TYR 100 0.372 7.282 6.806 817 HD1 TYR 100 HD2 TYR 100 -1.144 4.884 6.201 818 HD2 TYR 100 HD1 TYR 100 3.068 5.291 6.754 819 HE1 TYR 100 HE2 TYR 100 -1.006 2.530 6.873 820 HE2 TYR 100 HE1 TYR 100 3.205 2.935 7.432 821 HH TYR 100 HH TYR 100 1.313 0.714 6.805 822 H THR 101 HN THR 101 -0.706 9.458 4.723 823 HA THR 101 HA THR 101 -3.221 9.089 6.026 824 HB THR 101 HB THR 101 -2.383 11.487 4.361 825 HG1 THR 101 HG1 THR 101 -0.799 11.457 5.793 826 HG21 THR 101 HG21 THR 101 -4.191 11.346 6.771 827 HG22 THR 101 HG22 THR 101 -4.730 11.540 5.102 828 HG23 THR 101 HG23 THR 101 -3.749 12.792 5.865 829 H MET 102 HN MET 102 -2.232 9.202 2.624 830 HA MET 102 HA MET 102 -4.897 9.377 1.551 831 HB2 MET 102 HB2 MET 102 -2.346 8.495 0.165 832 HB3 MET 102 HB1 MET 102 -3.848 8.935 -0.631 833 HG2 MET 102 HG2 MET 102 -2.137 10.808 1.010 834 HG3 MET 102 HG1 MET 102 -2.120 10.691 -0.744 835 HE1 MET 102 HE1 MET 102 -3.660 12.056 -2.275 836 HE2 MET 102 HE2 MET 102 -5.346 12.381 -1.875 837 HE3 MET 102 HE3 MET 102 -4.761 10.718 -1.951 838 H ILE 103 HN ILE 103 -2.676 6.723 2.356 839 HA ILE 103 HA ILE 103 -4.169 4.623 1.099 840 HB ILE 103 HB ILE 103 -2.145 4.470 3.365 841 HG12 ILE 103 HG12 ILE 103 -1.671 3.780 0.450 842 HG13 ILE 103 HG11 ILE 103 -1.378 5.391 1.085 843 HG21 ILE 103 HG21 ILE 103 -3.332 2.252 1.687 844 HG22 ILE 103 HG22 ILE 103 -3.424 2.442 3.435 845 HG23 ILE 103 HG23 ILE 103 -1.884 2.063 2.675 846 HD11 ILE 103 HD11 ILE 103 0.004 2.845 1.884 847 HD12 ILE 103 HD12 ILE 103 0.226 4.390 2.704 848 HD13 ILE 103 HD13 ILE 103 0.690 4.215 1.012 849 H TYR 104 HN TYR 104 -4.365 6.242 4.226 850 HA TYR 104 HA TYR 104 -6.082 4.292 5.481 851 HB2 TYR 104 HB2 TYR 104 -4.495 5.681 6.766 852 HB3 TYR 104 HB1 TYR 104 -5.379 7.128 6.304 853 HD1 TYR 104 HD2 TYR 104 -5.875 3.864 8.094 854 HD2 TYR 104 HD1 TYR 104 -7.026 7.955 7.759 855 HE1 TYR 104 HE2 TYR 104 -7.265 3.634 10.101 856 HE2 TYR 104 HE1 TYR 104 -8.417 7.728 9.770 857 HH TYR 104 HH TYR 104 -8.200 5.803 11.960 858 H ARG 105 HN ARG 105 -6.748 6.610 3.082 859 HA ARG 105 HA ARG 105 -9.493 7.092 4.040 860 HB2 ARG 105 HB2 ARG 105 -7.829 8.492 1.946 861 HB3 ARG 105 HB1 ARG 105 -9.541 8.809 2.165 862 HG2 ARG 105 HG2 ARG 105 -7.639 9.080 4.473 863 HG3 ARG 105 HG1 ARG 105 -7.791 10.361 3.276 864 HD2 ARG 105 HD2 ARG 105 -9.346 11.090 4.762 865 HD3 ARG 105 HD1 ARG 105 -10.383 10.046 3.803 866 HE ARG 105 HE ARG 105 -9.243 9.412 6.452 867 HH11 ARG 105 HH11 ARG 105 -11.684 8.631 3.986 868 HH12 ARG 105 HH12 ARG 105 -12.550 7.576 5.041 869 HH21 ARG 105 HH21 ARG 105 -10.429 8.012 7.789 870 HH22 ARG 105 HH22 ARG 105 -11.847 7.225 7.182 871 H ASN 106 HN ASN 106 -7.716 5.619 1.323 872 HA ASN 106 HA ASN 106 -10.220 5.053 -0.102 873 HB2 ASN 106 HB2 ASN 106 -7.333 4.560 -0.885 874 HB3 ASN 106 HB1 ASN 106 -8.716 4.185 -1.902 875 HD21 ASN 106 HD21 ASN 106 -6.788 6.766 -0.500 876 HD22 ASN 106 HD22 ASN 106 -7.366 8.010 -1.548 877 H LEU 107 HN LEU 107 -9.960 3.591 2.395 878 HA LEU 107 HA LEU 107 -10.126 0.896 1.309 879 HB2 LEU 107 HB2 LEU 107 -8.575 -0.157 2.692 880 HB3 LEU 107 HB1 LEU 107 -7.758 1.260 2.098 881 HG LEU 107 HG LEU 107 -7.039 1.146 4.287 882 HD11 LEU 107 HD11 LEU 107 -7.846 3.006 5.470 883 HD12 LEU 107 HD12 LEU 107 -9.439 2.898 4.724 884 HD13 LEU 107 HD13 LEU 107 -8.045 3.383 3.759 885 HD21 LEU 107 HD21 LEU 107 -8.142 0.338 6.148 886 HD22 LEU 107 HD22 LEU 107 -8.807 -0.652 4.851 887 HD23 LEU 107 HD23 LEU 107 -9.740 0.695 5.496 888 H VAL 108 HN VAL 108 -10.951 -0.728 2.964 889 HA VAL 108 HA VAL 108 -13.024 0.560 4.638 890 HB VAL 108 HB VAL 108 -14.257 -1.668 4.473 891 HG11 VAL 108 HG11 VAL 108 -15.018 0.302 3.303 892 HG12 VAL 108 HG12 VAL 108 -15.264 -1.126 2.300 893 HG13 VAL 108 HG13 VAL 108 -13.922 -0.031 1.960 894 HG21 VAL 108 HG21 VAL 108 -12.642 -3.204 3.665 895 HG22 VAL 108 HG22 VAL 108 -12.211 -2.171 2.304 896 HG23 VAL 108 HG23 VAL 108 -13.779 -2.971 2.341 897 H VAL 109 HN VAL 109 -13.125 0.134 6.781 898 HA VAL 109 HA VAL 109 -11.156 -1.775 7.891 899 HB VAL 109 HB VAL 109 -11.325 -0.399 10.019 900 HG11 VAL 109 HG11 VAL 109 -9.722 1.254 9.305 901 HG12 VAL 109 HG12 VAL 109 -10.229 1.076 7.624 902 HG13 VAL 109 HG13 VAL 109 -9.422 -0.258 8.449 903 HG21 VAL 109 HG21 VAL 109 -12.538 1.730 8.242 904 HG22 VAL 109 HG22 VAL 109 -12.166 1.848 9.961 905 HG23 VAL 109 HG23 VAL 109 -13.457 0.783 9.412 906 H VAL 110 HN VAL 110 -11.716 -3.190 9.535 907 HA VAL 110 HA VAL 110 -14.547 -3.884 9.708 908 HB VAL 110 HB VAL 110 -12.166 -5.303 10.968 909 HG11 VAL 110 HG11 VAL 110 -14.271 -5.885 12.065 910 HG12 VAL 110 HG12 VAL 110 -13.660 -7.249 11.132 911 HG13 VAL 110 HG13 VAL 110 -14.991 -6.279 10.503 912 HG21 VAL 110 HG21 VAL 110 -12.380 -6.913 9.089 913 HG22 VAL 110 HG22 VAL 110 -11.891 -5.305 8.564 914 HG23 VAL 110 HG23 VAL 110 -13.557 -5.837 8.334 915 H ASN 111 HN ASN 111 -11.897 -2.966 11.956 916 HA ASN 111 HA ASN 111 -13.881 -2.451 14.089 917 HB2 ASN 111 HB2 ASN 111 -10.870 -2.831 14.239 918 HB3 ASN 111 HB1 ASN 111 -11.888 -2.418 15.616 919 HD21 ASN 111 HD21 ASN 111 -13.466 -3.998 16.337 920 HD22 ASN 111 HD22 ASN 111 -13.209 -5.675 16.010 921 H GLN 112 HN GLN 112 -14.568 -0.374 14.116 922 HA GLN 112 HA GLN 112 -12.786 1.787 13.208 923 HB2 GLN 112 HB2 GLN 112 -15.774 1.653 13.677 924 HB3 GLN 112 HB1 GLN 112 -14.935 3.164 13.345 925 HG2 GLN 112 HG2 GLN 112 -14.237 2.360 11.181 926 HG3 GLN 112 HG1 GLN 112 -14.921 0.770 11.510 927 HE21 GLN 112 HE21 GLN 112 -17.206 0.511 11.472 928 HE22 GLN 112 HE22 GLN 112 -18.226 1.684 10.720 929 H GLN 113 HN GLN 113 -12.278 3.602 14.462 930 HA GLN 113 HA GLN 113 -12.837 3.364 17.358 931 HB2 GLN 113 HB2 GLN 113 -10.420 3.012 16.526 932 HB3 GLN 113 HB1 GLN 113 -10.400 4.734 16.197 933 HG2 GLN 113 HG2 GLN 113 -9.400 4.528 18.292 934 HG3 GLN 113 HG1 GLN 113 -11.043 5.050 18.651 935 HE21 GLN 113 HE21 GLN 113 -8.823 2.311 18.690 936 HE22 GLN 113 HE22 GLN 113 -9.731 1.363 19.812 937 H GLU 114 HN GLU 114 -11.760 5.955 15.066 938 HA GLU 114 HA GLU 114 -14.061 7.583 15.596 939 HB2 GLU 114 HB2 GLU 114 -12.406 7.816 17.649 940 HB3 GLU 114 HB1 GLU 114 -11.514 8.875 16.573 941 HG2 GLU 114 HG2 GLU 114 -14.444 9.302 17.073 942 HG3 GLU 114 HG1 GLU 114 -13.238 9.875 18.219 943 H SER 115 HN SER 115 -14.393 8.062 13.471 944 HA SER 115 HA SER 115 -12.614 9.894 12.131 945 HB2 SER 115 HB2 SER 115 -11.605 7.601 11.647 946 HB3 SER 115 HB1 SER 115 -13.070 7.239 10.735 947 HG SER 115 HG SER 115 -10.951 8.909 10.104 948 H SER 116 HN SER 116 -13.857 11.304 11.002 949 HA SER 116 HA SER 116 -16.326 10.380 9.707 950 HB2 SER 116 HB2 SER 116 -16.218 12.657 11.712 951 HB3 SER 116 HB1 SER 116 -17.588 12.331 10.650 952 HG SER 116 HG SER 116 -16.729 10.970 12.911 953 H ASP 117 HN ASP 117 -15.004 10.676 7.796 954 HA ASP 117 HA ASP 117 -15.374 13.242 6.583 955 HB2 ASP 117 HB2 ASP 117 -12.931 13.613 6.013 956 HB3 ASP 117 HB1 ASP 117 -13.356 13.901 7.693 957 H SER 118 HN SER 118 -15.873 12.882 4.491 958 HA SER 118 HA SER 118 -14.694 10.551 3.102 959 HB2 SER 118 HB2 SER 118 -17.035 10.076 3.828 960 HB3 SER 118 HB1 SER 118 -17.585 11.441 2.858 961 HG SER 118 HG SER 118 -17.766 9.472 1.717 962 H GLY 119 HN GLY 119 -13.221 11.711 1.905 963 HA2 GLY 119 HA2 GLY 119 -14.322 13.397 -0.250 964 HA3 GLY 119 HA1 GLY 119 -13.039 14.051 0.757 965 H THR 120 HN THR 120 -13.676 10.927 -0.884 966 HA THR 120 HA THR 120 -11.298 11.215 -2.526 967 HB THR 120 HB THR 120 -10.389 10.338 -0.406 968 HG1 THR 120 HG1 THR 120 -9.111 9.525 -1.855 969 HG21 THR 120 HG21 THR 120 -12.163 7.943 -0.855 970 HG22 THR 120 HG22 THR 120 -12.213 9.056 0.510 971 HG23 THR 120 HG23 THR 120 -10.814 8.010 0.276 972 H SER 121 HN SER 121 -10.995 9.200 -3.972 973 HA SER 121 HA SER 121 -13.604 8.476 -5.076 974 HB2 SER 121 HB2 SER 121 -10.793 8.041 -6.136 975 HB3 SER 121 HB1 SER 121 -12.265 7.584 -6.993 976 HG SER 121 HG SER 121 -12.767 9.688 -7.279 977 H VAL 122 HN VAL 122 -14.529 6.490 -4.943 978 HA VAL 122 HA VAL 122 -12.952 4.252 -3.795 979 HB VAL 122 HB VAL 122 -15.949 4.641 -3.451 980 HG11 VAL 122 HG11 VAL 122 -15.286 2.323 -3.219 981 HG12 VAL 122 HG12 VAL 122 -15.694 2.969 -1.633 982 HG13 VAL 122 HG13 VAL 122 -14.003 2.762 -2.090 983 HG21 VAL 122 HG21 VAL 122 -14.860 6.468 -2.296 984 HG22 VAL 122 HG22 VAL 122 -13.742 5.354 -1.507 985 HG23 VAL 122 HG23 VAL 122 -15.461 5.307 -1.114 986 H SER 123 HN SER 123 -13.059 2.271 -4.808 987 HA SER 123 HA SER 123 -14.516 2.140 -7.377 988 HB2 SER 123 HB2 SER 123 -12.024 1.866 -7.408 989 HB3 SER 123 HB1 SER 123 -12.210 0.406 -6.438 990 HG SER 123 HG SER 123 -12.840 0.864 -9.120 991 H GLU 124 HN GLU 124 -15.401 -0.012 -8.022 992 HA GLU 124 HA GLU 124 -16.910 -1.191 -5.822 993 HB2 GLU 124 HB2 GLU 124 -17.075 -1.504 -8.830 994 HB3 GLU 124 HB1 GLU 124 -18.031 -2.482 -7.729 995 HG2 GLU 124 HG2 GLU 124 -19.510 -0.814 -8.263 996 HG3 GLU 124 HG1 GLU 124 -18.819 -0.198 -6.766 997 H ASN 125 HN ASN 125 -14.788 -2.439 -8.460 998 HA ASN 125 HA ASN 125 -14.487 -4.993 -7.029 999 HB2 ASN 125 HB2 ASN 125 -13.692 -4.123 -9.823 1000 HB3 ASN 125 HB1 ASN 125 -13.244 -5.682 -9.141 1001 HD21 ASN 125 HD21 ASN 125 -14.871 -5.147 -11.498 1002 HD22 ASN 125 HD22 ASN 125 -16.411 -5.870 -11.196 1003 H1 13Q 201 HAL 13Q 999 8.807 4.539 0.378 1004 H2 13Q 201 HAJ 13Q 999 6.793 5.010 -0.989 1005 H3 13Q 201 HAI 13Q 999 4.903 1.488 0.583 1006 H4 13Q 201 HAK 13Q 999 6.918 1.015 1.948 1007 H5 13Q 201 HBB 13Q 999 8.909 1.592 2.615 1008 H6 13Q 201 HAZ 13Q 999 12.707 3.255 3.052 1009 H8 13Q 201 HAT 13Q 999 10.798 2.361 4.062 1010 H7 13Q 201 HAU 13Q 999 10.867 4.157 4.424 1011 H9 13Q 201 HBA 13Q 999 9.392 4.574 2.458 1012 H10 13Q 201 HAH 13Q 999 9.182 2.353 5.338 1013 H11 13Q 201 HAM 13Q 999 7.137 5.047 2.689 1014 H12 13Q 201 HAG 13Q 999 5.369 3.979 6.456 1015 H13 13Q 201 HAF 13Q 999 7.331 2.551 6.968 1016 H15 13Q 201 HAV 13Q 999 11.099 0.614 0.099 1017 H14 13Q 201 HAW 13Q 999 9.337 0.606 0.256 1018 H16 13Q 201 HAY 13Q 999 10.604 2.900 -1.317 1019 H18 13Q 201 HAN 13Q 999 7.981 1.192 -1.533 1020 H17 13Q 201 HAO 13Q 999 8.402 2.657 -2.554 1021 H20 13Q 201 HAP 13Q 999 10.472 1.460 -3.406 1022 H19 13Q 201 HAQ 13Q 999 10.066 0.001 -2.370 1023 H22 13Q 201 HAR 13Q 999 12.020 5.701 3.003 1024 H21 13Q 201 HAS 13Q 999 10.959 5.253 1.577
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