NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22945 | 2js3 | 15352 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 45.067 10.027 3.464 2 H1 MET 1 1H MET 1 44.938 10.143 5.869 3 H2 MET 1 2H MET 1 43.812 8.875 5.887 4 H3 MET 1 3H MET 1 43.412 10.351 5.160 5 HB2 MET 1 2HB MET 1 45.492 7.340 4.795 6 HB3 MET 1 1HB MET 1 46.212 7.857 3.278 7 HG2 MET 1 2HG MET 1 46.709 9.044 5.994 8 HG3 MET 1 1HG MET 1 47.817 8.043 5.059 9 HE1 MET 1 3HE MET 1 49.729 9.848 5.364 10 HE2 MET 1 1HE MET 1 48.634 10.858 6.308 11 HE3 MET 1 2HE MET 1 49.537 11.553 4.961 12 H GLY 2 H GLY 2 42.825 7.723 4.910 13 HA2 GLY 2 2HA GLY 2 41.400 7.647 2.333 14 HA3 GLY 2 1HA GLY 2 41.717 6.149 3.201 15 H SER 3 H SER 3 39.126 6.858 2.627 16 HA SER 3 HA SER 3 38.091 7.353 5.317 17 HG SER 3 HG SER 3 38.923 9.412 4.634 18 HB2 SER 3 2HB SER 3 37.055 8.721 2.820 19 HB3 SER 3 1HB SER 3 36.335 8.839 4.428 20 H SER 4 H SER 4 37.342 5.377 5.705 21 HA SER 4 HA SER 4 35.911 3.629 5.730 22 HG SER 4 HG SER 4 33.049 3.484 3.711 23 HB2 SER 4 2HB SER 4 34.176 5.340 5.246 24 HB3 SER 4 1HB SER 4 34.415 5.062 3.522 25 H HIS 5 H HIS 5 35.213 1.726 4.467 26 HA HIS 5 HA HIS 5 36.139 1.394 1.773 27 HD1 HIS 5 1HD HIS 5 39.178 -1.953 3.051 28 HD2 HIS 5 2HD HIS 5 37.246 0.157 0.025 29 HE1 HIS 5 1HE HIS 5 39.720 -3.171 0.913 30 HE2 HIS 5 2HE HIS 5 38.647 -1.808 -0.919 31 HB2 HIS 5 2HB HIS 5 38.266 1.147 3.076 32 HB3 HIS 5 1HB HIS 5 37.542 -0.214 3.924 33 H HIS 6 H HIS 6 34.992 -0.033 4.776 34 HA HIS 6 HA HIS 6 33.322 -1.857 3.174 35 HD1 HIS 6 1HD HIS 6 33.778 -4.878 3.446 36 HD2 HIS 6 2HD HIS 6 36.972 -2.773 5.071 37 HE1 HIS 6 1HE HIS 6 35.842 -6.059 2.645 38 HE2 HIS 6 2HE HIS 6 37.725 -4.947 3.893 39 HB2 HIS 6 2HB HIS 6 34.410 -2.183 5.972 40 HB3 HIS 6 1HB HIS 6 33.127 -3.195 5.319 41 H HIS 7 H HIS 7 31.151 -2.056 3.683 42 HA HIS 7 HA HIS 7 30.022 0.300 4.972 43 HD1 HIS 7 1HD HIS 7 27.013 0.530 2.097 44 HD2 HIS 7 2HD HIS 7 31.122 -0.135 2.007 45 HE1 HIS 7 1HE HIS 7 27.866 1.793 0.095 46 HE2 HIS 7 2HE HIS 7 30.362 1.458 0.121 47 HB2 HIS 7 2HB HIS 7 28.767 -1.964 3.401 48 HB3 HIS 7 1HB HIS 7 27.838 -0.665 4.141 49 H HIS 8 H HIS 8 29.767 0.239 7.107 50 HA HIS 8 HA HIS 8 29.458 -2.315 8.455 51 HD1 HIS 8 1HD HIS 8 32.060 1.190 10.058 52 HD2 HIS 8 2HD HIS 8 31.791 -2.821 8.989 53 HE1 HIS 8 1HE HIS 8 34.438 0.381 9.849 54 HE2 HIS 8 2HE HIS 8 34.255 -2.051 9.196 55 HB2 HIS 8 2HB HIS 8 29.717 0.493 9.545 56 HB3 HIS 8 1HB HIS 8 29.577 -0.947 10.543 57 H HIS 9 H HIS 9 27.375 -0.299 6.949 58 HA HIS 9 HA HIS 9 25.154 -0.389 8.773 59 HD1 HIS 9 1HD HIS 9 22.779 0.551 4.915 60 HD2 HIS 9 2HD HIS 9 23.070 0.921 9.046 61 HE1 HIS 9 1HE HIS 9 20.457 1.066 5.714 62 HE2 HIS 9 2HE HIS 9 20.626 1.134 8.227 63 HB2 HIS 9 2HB HIS 9 25.437 1.276 6.877 64 HB3 HIS 9 1HB HIS 9 25.064 -0.034 5.763 65 H HIS 10 H HIS 10 26.409 -2.846 8.548 66 HA HIS 10 HA HIS 10 24.819 -4.550 6.779 67 HD1 HIS 10 1HD HIS 10 27.051 -7.570 9.034 68 HD2 HIS 10 2HD HIS 10 26.080 -6.744 5.077 69 HE1 HIS 10 1HE HIS 10 26.816 -9.812 7.909 70 HE2 HIS 10 2HE HIS 10 26.466 -9.267 5.468 71 HB2 HIS 10 2HB HIS 10 27.298 -4.728 6.785 72 HB3 HIS 10 1HB HIS 10 27.250 -5.152 8.490 73 H SER 11 H SER 11 24.854 -3.395 9.899 74 HA SER 11 HA SER 11 24.261 -5.523 11.560 75 HG SER 11 HG SER 11 25.597 -3.786 12.644 76 HB2 SER 11 2HB SER 11 23.118 -2.724 11.733 77 HB3 SER 11 1HB SER 11 23.314 -3.869 13.063 78 H SER 12 H SER 12 22.850 -7.038 10.923 79 HA SER 12 HA SER 12 20.138 -6.193 10.169 80 HG SER 12 HG SER 12 22.298 -7.019 8.507 81 HB2 SER 12 2HB SER 12 21.447 -8.894 9.756 82 HB3 SER 12 1HB SER 12 19.886 -8.376 9.124 83 H GLY 13 H GLY 13 19.409 -5.842 12.273 84 HA2 GLY 13 2HA GLY 13 18.717 -8.281 13.704 85 HA3 GLY 13 1HA GLY 13 19.696 -7.110 14.579 86 H ARG 14 H ARG 14 16.742 -7.249 12.607 87 HA ARG 14 HA ARG 14 15.610 -5.076 14.190 88 HE ARG 14 HE ARG 14 15.624 -1.786 11.524 89 HB2 ARG 14 2HB ARG 14 15.089 -6.246 11.552 90 HB3 ARG 14 1HB ARG 14 13.633 -5.852 12.453 91 HG2 ARG 14 2HG ARG 14 14.257 -4.008 11.035 92 HG3 ARG 14 1HG ARG 14 14.438 -3.552 12.728 93 HD2 ARG 14 2HD ARG 14 16.856 -3.972 12.566 94 HD3 ARG 14 1HD ARG 14 16.657 -4.387 10.863 95 HH11 ARG 14 1HH1 ARG 14 18.541 -3.545 10.660 96 HH12 ARG 14 2HH1 ARG 14 19.333 -2.152 9.990 97 HH21 ARG 14 2HH2 ARG 14 18.254 -0.122 9.959 98 HH22 ARG 14 1HH2 ARG 14 16.647 0.027 10.624 99 H GLU 15 H GLU 15 13.797 -5.263 15.439 100 HA GLU 15 HA GLU 15 13.401 -7.639 16.871 101 HB2 GLU 15 2HB GLU 15 11.547 -5.261 16.610 102 HB3 GLU 15 1HB GLU 15 11.467 -6.489 17.863 103 HG2 GLU 15 2HG GLU 15 13.755 -4.590 17.422 104 HG3 GLU 15 1HG GLU 15 12.500 -4.428 18.650 105 H ASN 16 H ASN 16 11.852 -9.228 16.774 106 HA ASN 16 HA ASN 16 10.297 -9.406 14.319 107 HB2 ASN 16 2HB ASN 16 10.692 -11.354 16.600 108 HB3 ASN 16 1HB ASN 16 9.676 -11.676 15.201 109 HD21 ASN 16 2HD2 ASN 16 12.852 -11.378 13.154 110 HD22 ASN 16 1HD2 ASN 16 11.513 -10.297 13.373 111 H LEU 17 H LEU 17 8.797 -7.746 14.677 112 HA LEU 17 HA LEU 17 6.900 -8.231 16.872 113 HG LEU 17 HG LEU 17 7.646 -4.872 18.071 114 HB2 LEU 17 2HB LEU 17 8.190 -5.798 15.874 115 HB3 LEU 17 1HB LEU 17 6.462 -5.633 16.089 116 HD11 LEU 17 1HD1 LEU 17 6.491 -6.206 19.748 117 HD12 LEU 17 2HD1 LEU 17 6.215 -7.478 18.560 118 HD13 LEU 17 3HD1 LEU 17 5.454 -5.901 18.353 119 HD21 LEU 17 3HD2 LEU 17 9.667 -6.212 17.862 120 HD22 LEU 17 1HD2 LEU 17 8.751 -7.676 18.221 121 HD23 LEU 17 2HD2 LEU 17 8.938 -6.427 19.454 122 H TYR 18 H TYR 18 4.915 -6.481 15.991 123 HA TYR 18 HA TYR 18 3.397 -8.202 14.399 124 HD1 TYR 18 2HD TYR 18 0.778 -8.157 15.603 125 HD2 TYR 18 1HD TYR 18 1.433 -4.924 12.919 126 HE1 TYR 18 2HE TYR 18 -1.436 -8.548 14.605 127 HE2 TYR 18 1HE TYR 18 -0.778 -5.300 11.916 128 HH TYR 18 HH TYR 18 -3.127 -7.301 13.337 129 HB2 TYR 18 2HB TYR 18 2.533 -6.461 16.014 130 HB3 TYR 18 1HB TYR 18 2.888 -5.248 14.790 131 H PHE 19 H PHE 19 4.573 -4.930 13.522 132 HA PHE 19 HA PHE 19 4.227 -5.577 10.720 133 HD1 PHE 19 1HD PHE 19 3.092 -3.651 9.087 134 HD2 PHE 19 2HD PHE 19 2.971 -2.637 13.215 135 HE1 PHE 19 1HE PHE 19 0.719 -3.040 8.862 136 HE2 PHE 19 2HE PHE 19 0.597 -2.027 13.001 137 HZ PHE 19 HZ PHE 19 -0.532 -2.228 10.822 138 HB2 PHE 19 2HB PHE 19 5.038 -3.061 12.163 139 HB3 PHE 19 1HB PHE 19 5.156 -3.203 10.412 140 H GLN 20 H GLN 20 5.835 -7.362 11.281 141 HA GLN 20 HA GLN 20 7.849 -8.341 10.991 142 HB2 GLN 20 2HB GLN 20 7.326 -7.715 8.699 143 HB3 GLN 20 1HB GLN 20 8.083 -6.147 8.931 144 HG2 GLN 20 2HG GLN 20 10.234 -7.093 9.044 145 HG3 GLN 20 1HG GLN 20 9.592 -8.724 9.226 146 HE21 GLN 20 2HE2 GLN 20 9.870 -6.984 5.562 147 HE22 GLN 20 1HE2 GLN 20 10.001 -6.043 7.007 148 H GLY 21 H GLY 21 9.513 -5.463 9.994 149 HA2 GLY 21 2HA GLY 21 11.269 -5.743 12.308 150 HA3 GLY 21 1HA GLY 21 11.564 -4.753 10.883 151 H MET 22 H MET 22 9.142 -4.967 13.465 152 HA MET 22 HA MET 22 8.514 -2.199 13.169 153 HB2 MET 22 2HB MET 22 6.906 -4.051 13.771 154 HB3 MET 22 1HB MET 22 7.591 -4.002 15.389 155 HG2 MET 22 2HG MET 22 6.849 -1.779 15.728 156 HG3 MET 22 1HG MET 22 6.411 -1.600 14.031 157 HE1 MET 22 3HE MET 22 2.867 -1.467 15.425 158 HE2 MET 22 1HE MET 22 4.045 -0.807 14.286 159 HE3 MET 22 2HE MET 22 4.317 -0.663 16.025 160 H THR 23 H THR 23 10.224 -1.037 13.622 161 HA THR 23 HA THR 23 10.562 -0.149 16.260 162 HB THR 23 HB THR 23 11.970 -2.096 16.613 163 HG1 THR 23 1HG THR 23 12.684 0.012 17.400 164 HG21 THR 23 3HG2 THR 23 12.527 -2.622 14.290 165 HG22 THR 23 1HG2 THR 23 13.978 -2.532 15.287 166 HG23 THR 23 2HG2 THR 23 13.563 -1.198 14.210 167 H ASP 24 H ASP 24 12.035 -0.462 13.075 168 HA ASP 24 HA ASP 24 11.794 2.409 12.708 169 HB2 ASP 24 2HB ASP 24 14.038 2.798 12.042 170 HB3 ASP 24 1HB ASP 24 14.163 1.881 13.538 171 H THR 25 H THR 25 12.500 -0.783 11.424 172 HA THR 25 HA THR 25 12.105 -0.121 8.690 173 HB THR 25 HB THR 25 11.733 -2.858 9.901 174 HG1 THR 25 1HG THR 25 14.015 -1.256 9.727 175 HG21 THR 25 3HG2 THR 25 12.891 -1.951 7.258 176 HG22 THR 25 1HG2 THR 25 11.262 -2.582 7.491 177 HG23 THR 25 2HG2 THR 25 12.660 -3.619 7.781 178 H ALA 26 H ALA 26 9.977 -0.642 11.309 179 HA ALA 26 HA ALA 26 7.643 -1.602 10.203 180 HB1 ALA 26 3HB ALA 26 6.457 -0.277 11.892 181 HB2 ALA 26 1HB ALA 26 7.934 0.632 12.210 182 HB3 ALA 26 2HB ALA 26 7.866 -1.093 12.569 183 H ALA 27 H ALA 27 8.931 1.684 10.102 184 HA ALA 27 HA ALA 27 6.731 2.733 8.601 185 HB1 ALA 27 3HB ALA 27 8.051 4.765 8.438 186 HB2 ALA 27 1HB ALA 27 9.470 3.913 9.049 187 HB3 ALA 27 2HB ALA 27 8.068 4.152 10.091 188 H GLU 28 H GLU 28 9.780 1.252 7.867 189 HA GLU 28 HA GLU 28 9.995 2.155 5.185 190 HB2 GLU 28 2HB GLU 28 11.185 -0.294 6.504 191 HB3 GLU 28 1HB GLU 28 11.648 0.330 4.927 192 HG2 GLU 28 2HG GLU 28 11.999 1.707 7.579 193 HG3 GLU 28 1HG GLU 28 13.263 0.969 6.597 194 H ASP 29 H ASP 29 8.926 -0.938 6.595 195 HA ASP 29 HA ASP 29 8.441 -2.244 4.169 196 HB2 ASP 29 2HB ASP 29 7.386 -2.712 6.948 197 HB3 ASP 29 1HB ASP 29 6.930 -3.744 5.596 198 H VAL 30 H VAL 30 6.217 -0.397 6.226 199 HA VAL 30 HA VAL 30 3.937 -0.898 4.615 200 HB VAL 30 HB VAL 30 4.407 1.423 6.498 201 HG11 VAL 30 1HG1 VAL 30 1.846 0.263 5.389 202 HG12 VAL 30 2HG1 VAL 30 2.553 1.822 4.970 203 HG13 VAL 30 3HG1 VAL 30 1.954 1.538 6.604 204 HG21 VAL 30 3HG2 VAL 30 4.697 -0.710 7.633 205 HG22 VAL 30 1HG2 VAL 30 3.151 -1.278 7.005 206 HG23 VAL 30 2HG2 VAL 30 3.200 0.063 8.149 207 H ARG 31 H ARG 31 6.397 1.627 4.605 208 HA ARG 31 HA ARG 31 5.105 3.340 2.738 209 HE ARG 31 HE ARG 31 9.899 5.357 1.689 210 HB2 ARG 31 2HB ARG 31 7.049 3.913 4.291 211 HB3 ARG 31 1HB ARG 31 8.085 3.121 3.112 212 HG2 ARG 31 2HG ARG 31 7.434 4.695 1.412 213 HG3 ARG 31 1HG ARG 31 6.267 5.441 2.506 214 HD2 ARG 31 2HD ARG 31 8.172 6.844 2.514 215 HD3 ARG 31 1HD ARG 31 8.208 5.950 4.033 216 HH11 ARG 31 1HH1 ARG 31 9.327 5.322 5.143 217 HH12 ARG 31 2HH1 ARG 31 10.909 4.704 5.530 218 HH21 ARG 31 2HH2 ARG 31 12.395 4.233 3.844 219 HH22 ARG 31 1HH2 ARG 31 11.973 4.572 2.187 220 H LYS 32 H LYS 32 7.257 0.566 2.423 221 HA LYS 32 HA LYS 32 7.844 0.718 -0.310 222 HB2 LYS 32 2HB LYS 32 7.253 -1.819 1.230 223 HB3 LYS 32 1HB LYS 32 8.195 -1.684 -0.246 224 HG2 LYS 32 2HG LYS 32 9.918 -0.455 0.940 225 HG3 LYS 32 1HG LYS 32 8.954 -0.507 2.417 226 HD2 LYS 32 2HD LYS 32 9.015 -3.040 2.179 227 HD3 LYS 32 1HD LYS 32 10.275 -2.786 0.971 228 HE2 LYS 32 2HE LYS 32 10.352 -1.888 3.848 229 HE3 LYS 32 1HE LYS 32 11.234 -3.251 3.165 230 HZ1 LYS 32 3HZ LYS 32 11.628 -0.372 2.568 231 HZ2 LYS 32 1HZ LYS 32 12.354 -1.621 1.679 232 HZ3 LYS 32 2HZ LYS 32 12.712 -1.431 3.323 233 H ILE 33 H ILE 33 5.139 -0.833 1.361 234 HA ILE 33 HA ILE 33 3.737 -1.767 -0.873 235 HB ILE 33 HB ILE 33 2.502 -0.789 1.706 236 HG12 ILE 33 2HG1 ILE 33 3.566 -3.550 1.084 237 HG13 ILE 33 1HG1 ILE 33 4.396 -2.367 2.090 238 HG21 ILE 33 1HG2 ILE 33 0.782 -2.474 1.217 239 HG22 ILE 33 2HG2 ILE 33 1.596 -2.849 -0.302 240 HG23 ILE 33 3HG2 ILE 33 0.891 -1.252 -0.050 241 HD11 ILE 33 3HD1 ILE 33 3.249 -3.988 3.457 242 HD12 ILE 33 1HD1 ILE 33 1.723 -3.629 2.650 243 HD13 ILE 33 2HD1 ILE 33 2.501 -2.403 3.649 244 H ALA 34 H ALA 34 3.339 1.228 0.998 245 HA ALA 34 HA ALA 34 1.232 2.333 -0.439 246 HB1 ALA 34 3HB ALA 34 1.863 4.455 0.560 247 HB2 ALA 34 1HB ALA 34 3.442 3.801 0.991 248 HB3 ALA 34 2HB ALA 34 1.984 3.150 1.741 249 H THR 35 H THR 35 4.717 2.597 -0.999 250 HA THR 35 HA THR 35 4.555 4.533 -3.046 251 HB THR 35 HB THR 35 6.711 2.437 -2.684 252 HG1 THR 35 1HG THR 35 6.396 3.664 -0.769 253 HG21 THR 35 3HG2 THR 35 6.758 5.153 -4.003 254 HG22 THR 35 1HG2 THR 35 6.846 3.594 -4.822 255 HG23 THR 35 2HG2 THR 35 8.159 4.108 -3.762 256 H ALA 36 H ALA 36 4.688 0.992 -3.124 257 HA ALA 36 HA ALA 36 4.780 0.783 -5.949 258 HB1 ALA 36 3HB ALA 36 3.902 -1.271 -3.921 259 HB2 ALA 36 1HB ALA 36 5.559 -1.002 -4.466 260 HB3 ALA 36 2HB ALA 36 4.342 -1.590 -5.598 261 H LEU 37 H LEU 37 2.109 0.596 -3.603 262 HA LEU 37 HA LEU 37 0.174 -0.195 -5.487 263 HG LEU 37 HG LEU 37 0.762 1.681 -2.310 264 HB2 LEU 37 2HB LEU 37 -1.477 0.330 -3.785 265 HB3 LEU 37 1HB LEU 37 -0.152 -0.605 -3.139 266 HD11 LEU 37 1HD1 LEU 37 -0.796 3.104 -3.542 267 HD12 LEU 37 2HD1 LEU 37 -0.962 3.327 -1.801 268 HD13 LEU 37 3HD1 LEU 37 -2.152 2.372 -2.683 269 HD21 LEU 37 3HD2 LEU 37 -0.046 -0.118 -0.868 270 HD22 LEU 37 1HD2 LEU 37 -1.705 0.445 -1.085 271 HD23 LEU 37 2HD2 LEU 37 -0.528 1.462 -0.253 272 H LEU 38 H LEU 38 1.491 2.898 -4.724 273 HA LEU 38 HA LEU 38 -0.669 4.359 -5.942 274 HG LEU 38 HG LEU 38 -0.527 6.782 -5.656 275 HB2 LEU 38 2HB LEU 38 0.870 5.233 -4.122 276 HB3 LEU 38 1HB LEU 38 2.113 5.365 -5.348 277 HD11 LEU 38 1HD1 LEU 38 1.939 7.802 -4.253 278 HD12 LEU 38 2HD1 LEU 38 0.382 7.456 -3.502 279 HD13 LEU 38 3HD1 LEU 38 0.523 8.765 -4.676 280 HD21 LEU 38 3HD2 LEU 38 0.918 6.617 -7.628 281 HD22 LEU 38 1HD2 LEU 38 2.238 7.355 -6.720 282 HD23 LEU 38 2HD2 LEU 38 0.777 8.282 -7.065 283 H LYS 39 H LYS 39 2.718 3.679 -6.814 284 HA LYS 39 HA LYS 39 2.705 5.083 -9.218 285 HB2 LYS 39 2HB LYS 39 4.410 2.795 -8.265 286 HB3 LYS 39 1HB LYS 39 4.723 3.679 -9.745 287 HG2 LYS 39 2HG LYS 39 4.919 5.755 -8.393 288 HG3 LYS 39 1HG LYS 39 4.764 4.763 -6.944 289 HD2 LYS 39 2HD LYS 39 7.115 5.260 -7.483 290 HD3 LYS 39 1HD LYS 39 6.771 3.531 -7.539 291 HE2 LYS 39 2HE LYS 39 6.591 3.643 -9.976 292 HE3 LYS 39 1HE LYS 39 6.910 5.374 -9.928 293 HZ1 LYS 39 3HZ LYS 39 9.104 4.948 -9.080 294 HZ2 LYS 39 1HZ LYS 39 8.878 4.051 -10.498 295 HZ3 LYS 39 2HZ LYS 39 8.805 3.280 -8.991 296 H THR 40 H THR 40 1.736 1.767 -8.557 297 HA THR 40 HA THR 40 1.761 1.223 -11.443 298 HB THR 40 HB THR 40 1.686 -1.158 -10.805 299 HG1 THR 40 1HG THR 40 2.139 -0.273 -8.134 300 HG21 THR 40 3HG2 THR 40 3.832 -0.086 -11.225 301 HG22 THR 40 1HG2 THR 40 3.990 -1.269 -9.928 302 HG23 THR 40 2HG2 THR 40 3.913 0.452 -9.547 303 H ALA 41 H ALA 41 -0.423 2.461 -9.563 304 HA ALA 41 HA ALA 41 -2.601 0.830 -10.688 305 HB1 ALA 41 3HB ALA 41 -2.572 2.004 -7.913 306 HB2 ALA 41 1HB ALA 41 -2.362 0.296 -8.307 307 HB3 ALA 41 2HB ALA 41 -3.895 1.101 -8.647 308 H ILE 42 H ILE 42 -1.462 3.194 -11.751 309 HA ILE 42 HA ILE 42 -3.674 5.110 -11.428 310 HB ILE 42 HB ILE 42 -0.883 5.604 -12.486 311 HG12 ILE 42 2HG1 ILE 42 -2.202 6.562 -9.933 312 HG13 ILE 42 1HG1 ILE 42 -0.996 5.284 -10.028 313 HG21 ILE 42 1HG2 ILE 42 -3.185 7.505 -12.071 314 HG22 ILE 42 2HG2 ILE 42 -2.506 6.996 -13.616 315 HG23 ILE 42 3HG2 ILE 42 -1.542 7.974 -12.509 316 HD11 ILE 42 3HD1 ILE 42 0.650 6.878 -10.841 317 HD12 ILE 42 1HD1 ILE 42 -0.028 7.393 -9.295 318 HD13 ILE 42 2HD1 ILE 42 -0.559 8.162 -10.792 319 H GLU 43 H GLU 43 -5.070 5.206 -13.077 320 HA GLU 43 HA GLU 43 -4.171 4.157 -15.668 321 HB2 GLU 43 2HB GLU 43 -6.599 3.946 -16.217 322 HB3 GLU 43 1HB GLU 43 -6.055 2.917 -14.905 323 HG2 GLU 43 2HG GLU 43 -7.235 5.562 -14.246 324 HG3 GLU 43 1HG GLU 43 -8.303 4.264 -14.772 325 H ILE 44 H ILE 44 -3.937 5.455 -17.323 326 HA ILE 44 HA ILE 44 -4.715 8.226 -17.131 327 HB ILE 44 HB ILE 44 -3.786 8.289 -19.520 328 HG12 ILE 44 2HG1 ILE 44 -2.699 5.596 -18.686 329 HG13 ILE 44 1HG1 ILE 44 -3.936 5.847 -19.912 330 HG21 ILE 44 1HG2 ILE 44 -2.001 7.574 -17.202 331 HG22 ILE 44 2HG2 ILE 44 -2.566 9.185 -17.647 332 HG23 ILE 44 3HG2 ILE 44 -1.453 8.318 -18.705 333 HD11 ILE 44 3HD1 ILE 44 -1.775 5.468 -20.929 334 HD12 ILE 44 1HD1 ILE 44 -1.094 6.828 -20.036 335 HD13 ILE 44 2HD1 ILE 44 -2.332 7.109 -21.260 336 H VAL 45 H VAL 45 -6.723 8.810 -17.562 337 HA VAL 45 HA VAL 45 -8.365 7.111 -19.264 338 HB VAL 45 HB VAL 45 -10.263 8.541 -18.482 339 HG11 VAL 45 1HG1 VAL 45 -9.782 6.443 -17.371 340 HG12 VAL 45 2HG1 VAL 45 -10.272 7.642 -16.173 341 HG13 VAL 45 3HG1 VAL 45 -8.570 7.224 -16.358 342 HG21 VAL 45 3HG2 VAL 45 -8.179 9.752 -16.659 343 HG22 VAL 45 1HG2 VAL 45 -9.918 10.039 -16.575 344 HG23 VAL 45 2HG2 VAL 45 -8.999 10.584 -17.979 345 H SER 46 H SER 46 -8.842 7.594 -21.304 346 HA SER 46 HA SER 46 -8.147 10.268 -22.269 347 HG SER 46 HG SER 46 -7.402 9.310 -25.313 348 HB2 SER 46 2HB SER 46 -7.225 8.314 -23.469 349 HB3 SER 46 1HB SER 46 -8.862 7.812 -23.867 350 H GLU 47 H GLU 47 -9.605 11.663 -22.685 351 HA GLU 47 HA GLU 47 -12.428 10.851 -22.557 352 HB2 GLU 47 2HB GLU 47 -11.117 13.473 -21.817 353 HB3 GLU 47 1HB GLU 47 -12.853 13.190 -21.801 354 HG2 GLU 47 2HG GLU 47 -10.901 11.591 -20.169 355 HG3 GLU 47 1HG GLU 47 -11.709 13.041 -19.580 356 H GLU 48 H GLU 48 -13.746 11.290 -24.199 357 HA GLU 48 HA GLU 48 -12.661 12.512 -26.588 358 HB2 GLU 48 2HB GLU 48 -15.350 11.294 -25.949 359 HB3 GLU 48 1HB GLU 48 -14.961 12.001 -27.510 360 HG2 GLU 48 2HG GLU 48 -13.149 10.374 -27.791 361 HG3 GLU 48 1HG GLU 48 -13.566 9.658 -26.233 362 H ASP 49 H ASP 49 -14.599 13.383 -23.897 363 HA ASP 49 HA ASP 49 -15.541 15.851 -25.133 364 HB2 ASP 49 2HB ASP 49 -16.745 16.207 -23.038 365 HB3 ASP 49 1HB ASP 49 -17.060 14.588 -23.650 366 H GLY 50 H GLY 50 -12.741 14.834 -23.915 367 HA2 GLY 50 2HA GLY 50 -11.895 17.546 -23.294 368 HA3 GLY 50 1HA GLY 50 -11.683 16.360 -22.015 369 H GLY 51 H GLY 51 -9.948 15.048 -22.055 370 HA2 GLY 51 2HA GLY 51 -8.567 14.353 -24.447 371 HA3 GLY 51 1HA GLY 51 -7.701 15.577 -23.525 372 H ALA 52 H ALA 52 -6.017 14.027 -23.211 373 HA ALA 52 HA ALA 52 -6.594 11.652 -21.663 374 HB1 ALA 52 3HB ALA 52 -4.201 11.213 -21.811 375 HB2 ALA 52 1HB ALA 52 -3.943 12.808 -22.520 376 HB3 ALA 52 2HB ALA 52 -4.870 11.592 -23.398 377 H HIS 53 H HIS 53 -6.664 11.595 -19.505 378 HA HIS 53 HA HIS 53 -5.292 13.753 -18.036 379 HD1 HIS 53 1HD HIS 53 -6.778 16.009 -16.872 380 HD2 HIS 53 2HD HIS 53 -9.361 13.940 -19.388 381 HE1 HIS 53 1HE HIS 53 -8.046 17.771 -18.135 382 HE2 HIS 53 2HE HIS 53 -9.757 16.500 -19.478 383 HB2 HIS 53 2HB HIS 53 -7.978 12.493 -17.488 384 HB3 HIS 53 1HB HIS 53 -7.112 13.455 -16.296 385 H ASN 54 H ASN 54 -4.193 13.225 -16.204 386 HA ASN 54 HA ASN 54 -3.708 10.377 -15.752 387 HB2 ASN 54 2HB ASN 54 -1.774 11.925 -16.053 388 HB3 ASN 54 1HB ASN 54 -2.272 12.789 -14.605 389 HD21 ASN 54 2HD2 ASN 54 0.412 10.223 -13.958 390 HD22 ASN 54 1HD2 ASN 54 0.215 11.413 -15.193 391 H GLN 55 H GLN 55 -5.017 9.442 -14.345 392 HA GLN 55 HA GLN 55 -5.828 10.937 -11.953 393 HB2 GLN 55 2HB GLN 55 -7.683 11.051 -13.510 394 HB3 GLN 55 1HB GLN 55 -7.612 9.317 -13.779 395 HG2 GLN 55 2HG GLN 55 -8.277 8.930 -11.461 396 HG3 GLN 55 1HG GLN 55 -8.345 10.671 -11.193 397 HE21 GLN 55 2HE2 GLN 55 -11.105 10.742 -13.768 398 HE22 GLN 55 1HE2 GLN 55 -9.451 11.265 -13.802 399 H CYS 56 H CYS 56 -5.497 9.833 -10.126 400 HA CYS 56 HA CYS 56 -4.449 7.182 -10.209 401 HG CYS 56 HG CYS 56 -2.706 9.180 -9.797 402 HB2 CYS 56 2HB CYS 56 -5.316 8.858 -7.846 403 HB3 CYS 56 1HB CYS 56 -4.375 7.372 -7.754 404 H LYS 57 H LYS 57 -5.299 5.345 -9.196 405 HA LYS 57 HA LYS 57 -7.590 4.369 -10.098 406 HB2 LYS 57 2HB LYS 57 -7.536 2.779 -8.122 407 HB3 LYS 57 1HB LYS 57 -6.074 2.901 -9.090 408 HG2 LYS 57 2HG LYS 57 -5.168 4.488 -7.389 409 HG3 LYS 57 1HG LYS 57 -6.584 4.143 -6.395 410 HD2 LYS 57 2HD LYS 57 -5.971 1.784 -6.319 411 HD3 LYS 57 1HD LYS 57 -4.575 2.104 -7.353 412 HE2 LYS 57 2HE LYS 57 -3.763 3.695 -5.590 413 HE3 LYS 57 1HE LYS 57 -5.060 3.108 -4.552 414 HZ1 LYS 57 3HZ LYS 57 -3.096 1.920 -4.019 415 HZ2 LYS 57 1HZ LYS 57 -2.782 1.550 -5.642 416 HZ3 LYS 57 2HZ LYS 57 -4.104 0.845 -4.848 417 H LEU 58 H LEU 58 -7.447 5.758 -6.791 418 HA LEU 58 HA LEU 58 -10.334 5.415 -6.603 419 HG LEU 58 HG LEU 58 -10.574 4.074 -4.580 420 HB2 LEU 58 2HB LEU 58 -8.146 5.868 -4.637 421 HB3 LEU 58 1HB LEU 58 -9.759 6.391 -4.202 422 HD11 LEU 58 1HD1 LEU 58 -7.647 3.417 -4.868 423 HD12 LEU 58 2HD1 LEU 58 -8.860 3.321 -6.145 424 HD13 LEU 58 3HD1 LEU 58 -8.966 2.253 -4.744 425 HD21 LEU 58 3HD2 LEU 58 -9.585 3.142 -2.546 426 HD22 LEU 58 1HD2 LEU 58 -10.002 4.844 -2.350 427 HD23 LEU 58 2HD2 LEU 58 -8.322 4.372 -2.601 428 H CYS 59 H CYS 59 -8.781 7.640 -8.114 429 HA CYS 59 HA CYS 59 -9.169 9.803 -8.693 430 HG CYS 59 HG CYS 59 -11.244 8.860 -10.351 431 HB2 CYS 59 2HB CYS 59 -11.673 9.533 -7.020 432 HB3 CYS 59 1HB CYS 59 -11.361 10.764 -8.238 433 H GLY 60 H GLY 60 -8.072 8.971 -5.894 434 HA2 GLY 60 2HA GLY 60 -8.630 11.196 -4.186 435 HA3 GLY 60 1HA GLY 60 -7.406 9.964 -3.924 436 H ALA 61 H ALA 61 -6.639 10.840 -6.854 437 HA ALA 61 HA ALA 61 -5.415 13.408 -6.358 438 HB1 ALA 61 3HB ALA 61 -3.131 12.640 -6.802 439 HB2 ALA 61 1HB ALA 61 -3.700 10.971 -6.862 440 HB3 ALA 61 2HB ALA 61 -3.787 11.879 -5.353 441 H SER 62 H SER 62 -5.332 14.539 -8.209 442 HA SER 62 HA SER 62 -5.250 13.078 -10.751 443 HG SER 62 HG SER 62 -7.379 12.673 -9.875 444 HB2 SER 62 2HB SER 62 -7.128 15.386 -10.176 445 HB3 SER 62 1HB SER 62 -7.004 14.484 -11.688 446 H VAL 63 H VAL 63 -3.966 13.980 -12.266 447 HA VAL 63 HA VAL 63 -2.991 16.706 -11.901 448 HB VAL 63 HB VAL 63 -1.417 15.338 -10.604 449 HG11 VAL 63 1HG1 VAL 63 -0.947 13.833 -13.175 450 HG12 VAL 63 2HG1 VAL 63 -1.668 13.203 -11.695 451 HG13 VAL 63 3HG1 VAL 63 0.031 13.681 -11.712 452 HG21 VAL 63 3HG2 VAL 63 -0.540 17.292 -11.727 453 HG22 VAL 63 1HG2 VAL 63 -0.217 16.342 -13.179 454 HG23 VAL 63 2HG2 VAL 63 0.668 16.009 -11.691 455 HA PRO 64 HA PRO 64 -3.270 16.890 -16.373 456 HB2 PRO 64 1HB PRO 64 -2.104 18.797 -16.988 457 HB3 PRO 64 2HB PRO 64 -0.700 18.380 -15.996 458 HG2 PRO 64 2HG PRO 64 -1.712 20.001 -14.654 459 HG3 PRO 64 1HG PRO 64 -3.343 19.528 -15.161 460 HD2 PRO 64 2HD PRO 64 -1.565 18.292 -13.122 461 HD3 PRO 64 1HD PRO 64 -3.336 18.392 -13.168 462 H TRP 65 H TRP 65 -2.331 15.846 -18.128 463 HA TRP 65 HA TRP 65 -0.719 13.608 -17.489 464 HD1 TRP 65 HD TRP 65 -3.273 16.006 -20.058 465 HE1 TRP 65 1HE TRP 65 -2.751 17.389 -22.162 466 HE3 TRP 65 3HE TRP 65 0.998 13.629 -21.546 467 HZ2 TRP 65 2HZ TRP 65 -0.788 17.459 -24.192 468 HZ3 TRP 65 3HZ TRP 65 2.138 14.414 -23.581 469 HH2 TRP 65 HH TRP 65 1.260 16.291 -24.875 470 HB2 TRP 65 2HB TRP 65 -0.790 13.082 -19.871 471 HB3 TRP 65 1HB TRP 65 -2.378 13.557 -19.285 472 H LEU 66 H LEU 66 0.133 16.779 -18.106 473 HA LEU 66 HA LEU 66 2.673 16.463 -19.298 474 HG LEU 66 HG LEU 66 2.216 18.626 -20.445 475 HB2 LEU 66 2HB LEU 66 1.530 18.596 -17.501 476 HB3 LEU 66 1HB LEU 66 3.167 18.676 -18.116 477 HD11 LEU 66 1HD1 LEU 66 -0.141 19.200 -20.734 478 HD12 LEU 66 2HD1 LEU 66 -0.392 19.061 -18.995 479 HD13 LEU 66 3HD1 LEU 66 0.043 17.637 -19.938 480 HD21 LEU 66 3HD2 LEU 66 2.943 20.696 -19.393 481 HD22 LEU 66 1HD2 LEU 66 1.355 20.892 -18.654 482 HD23 LEU 66 2HD2 LEU 66 1.527 20.970 -20.408 483 H GLN 67 H GLN 67 1.462 15.876 -16.139 484 HA GLN 67 HA GLN 67 2.316 14.786 -14.363 485 HB2 GLN 67 2HB GLN 67 3.183 13.225 -16.048 486 HB3 GLN 67 1HB GLN 67 4.648 14.187 -16.192 487 HG2 GLN 67 2HG GLN 67 5.017 12.219 -14.816 488 HG3 GLN 67 1HG GLN 67 5.220 13.699 -13.881 489 HE21 GLN 67 2HE2 GLN 67 3.294 12.074 -11.462 490 HE22 GLN 67 1HE2 GLN 67 4.864 12.616 -11.938 491 H THR 68 H THR 68 2.553 16.532 -13.004 492 HA THR 68 HA THR 68 5.292 17.523 -12.697 493 HB THR 68 HB THR 68 3.673 19.302 -12.578 494 HG1 THR 68 1HG THR 68 4.721 20.154 -10.955 495 HG21 THR 68 3HG2 THR 68 2.341 17.735 -10.369 496 HG22 THR 68 1HG2 THR 68 1.689 18.030 -11.981 497 HG23 THR 68 2HG2 THR 68 1.917 19.375 -10.864 498 H GLY 69 H GLY 69 2.703 15.874 -10.889 499 HA2 GLY 69 2HA GLY 69 2.932 13.943 -9.642 500 HA3 GLY 69 1HA GLY 69 4.670 14.065 -9.804 501 H ASP 70 H ASP 70 5.243 16.471 -8.664 502 HA ASP 70 HA ASP 70 5.129 15.790 -5.911 503 HB2 ASP 70 2HB ASP 70 7.048 16.970 -6.755 504 HB3 ASP 70 1HB ASP 70 6.047 18.308 -7.308 505 H GLU 71 H GLU 71 3.727 18.562 -7.671 506 HA GLU 71 HA GLU 71 2.125 19.191 -5.332 507 HB2 GLU 71 2HB GLU 71 1.439 21.202 -6.680 508 HB3 GLU 71 1HB GLU 71 3.156 21.087 -6.326 509 HG2 GLU 71 2HG GLU 71 3.516 20.164 -8.588 510 HG3 GLU 71 1HG GLU 71 1.806 20.428 -8.930 511 H ILE 72 H ILE 72 0.618 17.620 -5.211 512 HA ILE 72 HA ILE 72 -1.544 17.802 -7.186 513 HB ILE 72 HB ILE 72 -0.553 15.197 -5.993 514 HG12 ILE 72 2HG1 ILE 72 -0.486 16.185 -8.853 515 HG13 ILE 72 1HG1 ILE 72 0.909 16.005 -7.797 516 HG21 ILE 72 1HG2 ILE 72 -2.818 15.739 -7.904 517 HG22 ILE 72 2HG2 ILE 72 -2.965 15.213 -6.227 518 HG23 ILE 72 3HG2 ILE 72 -2.244 14.143 -7.429 519 HD11 ILE 72 3HD1 ILE 72 -0.857 13.783 -8.789 520 HD12 ILE 72 1HD1 ILE 72 0.532 13.593 -7.719 521 HD13 ILE 72 2HD1 ILE 72 0.761 14.171 -9.369 522 H LYS 73 H LYS 73 -3.570 17.809 -6.270 523 HA LYS 73 HA LYS 73 -3.751 18.329 -3.470 524 HB2 LYS 73 2HB LYS 73 -5.887 17.907 -5.559 525 HB3 LYS 73 1HB LYS 73 -6.215 18.388 -3.902 526 HG2 LYS 73 2HG LYS 73 -4.870 20.424 -4.265 527 HG3 LYS 73 1HG LYS 73 -4.657 19.949 -5.952 528 HD2 LYS 73 2HD LYS 73 -7.304 20.457 -4.591 529 HD3 LYS 73 1HD LYS 73 -6.476 21.578 -5.676 530 HE2 LYS 73 2HE LYS 73 -6.710 20.073 -7.520 531 HE3 LYS 73 1HE LYS 73 -7.309 18.791 -6.468 532 HZ1 LYS 73 3HZ LYS 73 -9.298 20.029 -6.068 533 HZ2 LYS 73 1HZ LYS 73 -9.069 19.929 -7.743 534 HZ3 LYS 73 2HZ LYS 73 -8.716 21.372 -6.926 535 H HIS 74 H HIS 74 -6.023 17.135 -2.591 536 HA HIS 74 HA HIS 74 -5.668 14.259 -2.886 537 HD1 HIS 74 1HD HIS 74 -6.785 14.538 1.481 538 HD2 HIS 74 2HD HIS 74 -4.891 17.780 -0.296 539 HE1 HIS 74 1HE HIS 74 -7.261 16.494 2.973 540 HE2 HIS 74 2HE HIS 74 -6.344 18.480 1.730 541 HB2 HIS 74 2HB HIS 74 -5.461 13.866 -0.512 542 HB3 HIS 74 1HB HIS 74 -4.192 14.978 -1.001 543 H ALA 75 H ALA 75 -7.601 13.298 -3.033 544 HA ALA 75 HA ALA 75 -10.030 14.611 -2.260 545 HB1 ALA 75 3HB ALA 75 -9.549 11.714 -2.965 546 HB2 ALA 75 1HB ALA 75 -9.984 12.988 -4.106 547 HB3 ALA 75 2HB ALA 75 -11.121 12.502 -2.848 548 H ASP 76 H ASP 76 -10.588 14.867 -0.210 549 HA ASP 76 HA ASP 76 -8.983 13.801 1.853 550 HB2 ASP 76 2HB ASP 76 -10.112 16.049 1.810 551 HB3 ASP 76 1HB ASP 76 -11.624 15.223 2.167 552 H ASP 77 H ASP 77 -12.098 12.872 0.575 553 HA ASP 77 HA ASP 77 -12.790 11.183 2.803 554 HB2 ASP 77 2HB ASP 77 -14.571 12.159 1.511 555 HB3 ASP 77 1HB ASP 77 -13.938 11.462 0.024 556 H CYS 78 H CYS 78 -10.912 10.825 -0.047 557 HA CYS 78 HA CYS 78 -11.225 7.951 -0.200 558 HG CYS 78 HG CYS 78 -12.565 8.789 -2.321 559 HB2 CYS 78 2HB CYS 78 -9.394 9.817 -1.725 560 HB3 CYS 78 1HB CYS 78 -9.640 8.110 -2.082 561 HA PRO 79 HA PRO 79 -8.012 6.884 2.634 562 HB2 PRO 79 1HB PRO 79 -8.028 4.599 2.607 563 HB3 PRO 79 2HB PRO 79 -7.550 4.525 0.909 564 HG2 PRO 79 2HG PRO 79 -9.771 3.884 0.712 565 HG3 PRO 79 1HG PRO 79 -10.277 4.873 2.096 566 HD2 PRO 79 2HD PRO 79 -9.674 5.709 -0.717 567 HD3 PRO 79 1HD PRO 79 -10.985 6.238 0.358 568 H VAL 80 H VAL 80 -7.441 7.787 -0.502 569 HA VAL 80 HA VAL 80 -4.739 7.077 -0.898 570 HB VAL 80 HB VAL 80 -6.166 9.543 -1.924 571 HG11 VAL 80 1HG1 VAL 80 -3.740 8.094 -2.978 572 HG12 VAL 80 2HG1 VAL 80 -3.738 9.657 -2.163 573 HG13 VAL 80 3HG1 VAL 80 -4.526 9.482 -3.730 574 HG21 VAL 80 3HG2 VAL 80 -6.646 8.217 -3.927 575 HG22 VAL 80 1HG2 VAL 80 -7.398 7.518 -2.494 576 HG23 VAL 80 2HG2 VAL 80 -5.930 6.801 -3.158 577 H VAL 81 H VAL 81 -6.315 9.568 0.955 578 HA VAL 81 HA VAL 81 -4.236 11.387 1.273 579 HB VAL 81 HB VAL 81 -5.367 12.076 3.373 580 HG11 VAL 81 1HG1 VAL 81 -6.075 13.003 1.260 581 HG12 VAL 81 2HG1 VAL 81 -7.481 12.748 2.292 582 HG13 VAL 81 3HG1 VAL 81 -7.136 11.623 0.978 583 HG21 VAL 81 3HG2 VAL 81 -6.135 9.892 4.152 584 HG22 VAL 81 1HG2 VAL 81 -7.236 9.785 2.779 585 HG23 VAL 81 2HG2 VAL 81 -7.481 11.024 4.009 586 H ILE 82 H ILE 82 -5.007 8.530 3.256 587 HA ILE 82 HA ILE 82 -2.885 9.028 5.094 588 HB ILE 82 HB ILE 82 -4.901 7.734 5.714 589 HG12 ILE 82 2HG1 ILE 82 -3.715 5.972 7.001 590 HG13 ILE 82 1HG1 ILE 82 -2.276 6.267 6.026 591 HG21 ILE 82 1HG2 ILE 82 -5.092 5.376 5.099 592 HG22 ILE 82 2HG2 ILE 82 -3.721 5.563 4.002 593 HG23 ILE 82 3HG2 ILE 82 -5.221 6.441 3.698 594 HD11 ILE 82 3HD1 ILE 82 -3.614 8.234 7.877 595 HD12 ILE 82 1HD1 ILE 82 -2.201 8.566 6.875 596 HD13 ILE 82 2HD1 ILE 82 -2.102 7.374 8.168 597 H ALA 83 H ALA 83 -3.286 7.035 2.245 598 HA ALA 83 HA ALA 83 -0.902 5.589 2.316 599 HB1 ALA 83 3HB ALA 83 -2.653 5.123 0.687 600 HB2 ALA 83 1HB ALA 83 -1.120 5.414 -0.130 601 HB3 ALA 83 2HB ALA 83 -2.357 6.671 -0.104 602 H LYS 84 H LYS 84 -1.570 8.782 0.909 603 HA LYS 84 HA LYS 84 1.027 9.357 0.029 604 HB2 LYS 84 2HB LYS 84 -1.270 11.112 0.870 605 HB3 LYS 84 1HB LYS 84 0.268 11.793 0.361 606 HG2 LYS 84 2HG LYS 84 0.046 10.764 -1.815 607 HG3 LYS 84 1HG LYS 84 -1.445 9.965 -1.311 608 HD2 LYS 84 2HD LYS 84 -2.576 12.069 -1.094 609 HD3 LYS 84 1HD LYS 84 -1.071 12.958 -1.344 610 HE2 LYS 84 2HE LYS 84 -2.328 11.137 -3.391 611 HE3 LYS 84 1HE LYS 84 -2.578 12.882 -3.337 612 HZ1 LYS 84 3HZ LYS 84 -0.300 13.270 -3.780 613 HZ2 LYS 84 1HZ LYS 84 -0.806 12.103 -4.904 614 HZ3 LYS 84 2HZ LYS 84 0.106 11.641 -3.557 615 H GLN 85 H GLN 85 -0.551 10.003 3.141 616 HA GLN 85 HA GLN 85 1.496 11.442 4.356 617 HB2 GLN 85 2HB GLN 85 -0.667 9.650 5.423 618 HB3 GLN 85 1HB GLN 85 0.453 10.476 6.488 619 HG2 GLN 85 2HG GLN 85 -0.298 12.616 5.724 620 HG3 GLN 85 1HG GLN 85 -1.287 11.863 4.473 621 HE21 GLN 85 2HE2 GLN 85 -2.610 12.075 8.311 622 HE22 GLN 85 1HE2 GLN 85 -0.964 12.432 7.917 623 H ILE 86 H ILE 86 1.023 7.974 4.022 624 HA ILE 86 HA ILE 86 3.109 7.246 5.830 625 HB ILE 86 HB ILE 86 1.754 5.597 3.689 626 HG12 ILE 86 2HG1 ILE 86 1.263 5.728 6.673 627 HG13 ILE 86 1HG1 ILE 86 0.240 6.476 5.451 628 HG21 ILE 86 1HG2 ILE 86 3.919 4.658 4.312 629 HG22 ILE 86 2HG2 ILE 86 2.602 3.652 4.916 630 HG23 ILE 86 3HG2 ILE 86 3.466 4.726 6.015 631 HD11 ILE 86 3HD1 ILE 86 -0.702 4.386 6.256 632 HD12 ILE 86 1HD1 ILE 86 0.754 3.526 5.758 633 HD13 ILE 86 2HD1 ILE 86 -0.286 4.276 4.546 634 H LEU 87 H LEU 87 2.874 7.297 2.267 635 HA LEU 87 HA LEU 87 5.557 6.326 2.011 636 HG LEU 87 HG LEU 87 2.641 7.915 0.397 637 HB2 LEU 87 2HB LEU 87 5.220 6.610 -0.406 638 HB3 LEU 87 1HB LEU 87 3.967 5.660 0.365 639 HD11 LEU 87 1HD1 LEU 87 4.451 9.348 -0.313 640 HD12 LEU 87 2HD1 LEU 87 3.177 9.337 -1.535 641 HD13 LEU 87 3HD1 LEU 87 4.652 8.404 -1.788 642 HD21 LEU 87 3HD2 LEU 87 3.117 6.388 -2.159 643 HD22 LEU 87 1HD2 LEU 87 1.715 7.392 -1.792 644 HD23 LEU 87 2HD2 LEU 87 2.010 5.919 -0.867 645 H SER 88 H SER 88 4.260 9.405 2.498 646 HA SER 88 HA SER 88 6.529 10.748 1.260 647 HG SER 88 HG SER 88 5.619 13.412 0.954 648 HB2 SER 88 2HB SER 88 4.281 11.764 1.057 649 HB3 SER 88 1HB SER 88 4.202 11.914 2.811 650 H SER 89 H SER 89 5.001 10.720 4.485 651 HA SER 89 HA SER 89 5.775 11.181 6.558 652 HG SER 89 HG SER 89 8.368 10.038 4.620 653 HB2 SER 89 2HB SER 89 7.865 9.947 7.204 654 HB3 SER 89 1HB SER 89 6.642 8.955 6.418 655 H ARG 90 H ARG 90 6.366 13.198 4.558 656 HA ARG 90 HA ARG 90 8.649 14.495 5.876 657 HE ARG 90 HE ARG 90 11.814 17.069 2.935 658 HB2 ARG 90 2HB ARG 90 9.332 13.615 3.661 659 HB3 ARG 90 1HB ARG 90 8.034 14.531 2.910 660 HG2 ARG 90 2HG ARG 90 9.089 16.613 3.634 661 HG3 ARG 90 1HG ARG 90 10.393 15.688 4.382 662 HD2 ARG 90 2HD ARG 90 10.942 14.738 2.174 663 HD3 ARG 90 1HD ARG 90 9.674 15.730 1.454 664 HH11 ARG 90 1HH1 ARG 90 10.377 16.237 -0.148 665 HH12 ARG 90 2HH1 ARG 90 11.215 17.481 -1.022 666 HH21 ARG 90 2HH2 ARG 90 12.593 18.933 0.088 667 HH22 ARG 90 1HH2 ARG 90 12.886 18.736 1.793 668 HA PRO 91 HA PRO 91 5.675 17.694 6.655 669 HB2 PRO 91 1HB PRO 91 7.070 18.738 8.112 670 HB3 PRO 91 2HB PRO 91 7.482 19.799 6.763 671 HG2 PRO 91 2HG PRO 91 9.409 18.634 6.261 672 HG3 PRO 91 1HG PRO 91 9.339 18.322 8.007 673 HD2 PRO 91 2HD PRO 91 9.475 16.311 6.239 674 HD3 PRO 91 1HD PRO 91 8.494 16.175 7.713 675 H LYS 92 H LYS 92 4.505 17.888 4.792 676 HA LYS 92 HA LYS 92 5.123 20.130 3.083 677 HB2 LYS 92 2HB LYS 92 6.334 18.281 1.964 678 HB3 LYS 92 1HB LYS 92 4.850 17.341 1.920 679 HG2 LYS 92 2HG LYS 92 3.858 19.215 0.541 680 HG3 LYS 92 1HG LYS 92 5.498 19.853 0.407 681 HD2 LYS 92 2HD LYS 92 4.582 17.114 -0.474 682 HD3 LYS 92 1HD LYS 92 4.912 18.483 -1.535 683 HE2 LYS 92 2HE LYS 92 7.244 18.474 -0.865 684 HE3 LYS 92 1HE LYS 92 6.931 17.169 0.280 685 HZ1 LYS 92 3HZ LYS 92 7.905 16.329 -1.761 686 HZ2 LYS 92 1HZ LYS 92 6.641 16.995 -2.679 687 HZ3 LYS 92 2HZ LYS 92 6.331 15.740 -1.576 688 H LEU 93 H LEU 93 3.258 20.956 2.117 689 HA LEU 93 HA LEU 93 1.068 21.269 1.605 690 HG LEU 93 HG LEU 93 -1.364 19.422 1.937 691 HB2 LEU 93 2HB LEU 93 1.259 19.095 0.487 692 HB3 LEU 93 1HB LEU 93 0.876 18.279 1.989 693 HD11 LEU 93 1HD1 LEU 93 -2.127 20.299 -0.217 694 HD12 LEU 93 2HD1 LEU 93 -0.493 20.133 -0.860 695 HD13 LEU 93 3HD1 LEU 93 -0.815 21.263 0.457 696 HD21 LEU 93 3HD2 LEU 93 -0.677 17.610 -0.376 697 HD22 LEU 93 1HD2 LEU 93 -2.295 17.901 0.262 698 HD23 LEU 93 2HD2 LEU 93 -1.085 17.098 1.262 699 H HIS 94 H HIS 94 0.125 22.473 3.150 700 HA HIS 94 HA HIS 94 -0.473 21.249 5.718 701 HD1 HIS 94 1HD HIS 94 0.888 25.132 3.910 702 HD2 HIS 94 2HD HIS 94 -3.167 24.730 4.768 703 HE1 HIS 94 1HE HIS 94 -0.267 26.960 2.627 704 HE2 HIS 94 2HE HIS 94 -2.677 26.843 3.355 705 HB2 HIS 94 2HB HIS 94 -1.177 23.478 6.457 706 HB3 HIS 94 1HB HIS 94 0.444 23.502 5.782 707 H ALA 95 H ALA 95 -2.109 22.410 2.861 708 HA ALA 95 HA ALA 95 -4.222 22.155 2.075 709 HB1 ALA 95 3HB ALA 95 -3.353 19.861 1.996 710 HB2 ALA 95 1HB ALA 95 -5.104 19.918 2.204 711 HB3 ALA 95 2HB ALA 95 -4.062 19.554 3.581 712 H VAL 96 H VAL 96 -5.191 23.869 3.228 713 HA VAL 96 HA VAL 96 -6.688 23.164 5.632 714 HB VAL 96 HB VAL 96 -7.391 25.574 5.627 715 HG11 VAL 96 1HG1 VAL 96 -5.528 24.790 6.986 716 HG12 VAL 96 2HG1 VAL 96 -5.211 26.416 6.378 717 HG13 VAL 96 3HG1 VAL 96 -4.424 25.026 5.630 718 HG21 VAL 96 3HG2 VAL 96 -7.114 26.033 3.234 719 HG22 VAL 96 1HG2 VAL 96 -5.372 25.805 3.390 720 HG23 VAL 96 2HG2 VAL 96 -6.163 27.151 4.210 721 HA MET 1 HA MET 1 -19.440 2.250 26.719 722 H1 MET 1 1H MET 1 -21.742 2.314 25.941 723 H2 MET 1 2H MET 1 -21.611 2.512 27.615 724 H3 MET 1 3H MET 1 -22.124 1.029 26.976 725 HB2 MET 1 2HB MET 1 -18.654 0.324 27.969 726 HB3 MET 1 1HB MET 1 -19.912 1.138 28.887 727 HG2 MET 1 2HG MET 1 -21.500 -0.546 28.357 728 HG3 MET 1 1HG MET 1 -20.419 -1.274 27.169 729 HE1 MET 1 3HE MET 1 -20.894 -0.486 31.013 730 HE2 MET 1 1HE MET 1 -19.280 0.119 30.641 731 HE3 MET 1 2HE MET 1 -19.474 -1.286 31.690 732 H GLY 2 H GLY 2 -17.962 0.175 26.034 733 HA2 GLY 2 2HA GLY 2 -17.647 -1.589 24.497 734 HA3 GLY 2 1HA GLY 2 -19.263 -1.303 23.866 735 H SER 3 H SER 3 -19.549 0.832 22.760 736 HA SER 3 HA SER 3 -19.040 2.409 21.222 737 HG SER 3 HG SER 3 -16.535 3.765 23.409 738 HB2 SER 3 2HB SER 3 -16.144 1.988 22.002 739 HB3 SER 3 1HB SER 3 -16.815 3.379 21.150 740 H SER 4 H SER 4 -16.274 0.150 20.970 741 HA SER 4 HA SER 4 -16.470 0.317 18.085 742 HG SER 4 HG SER 4 -14.691 -2.018 20.239 743 HB2 SER 4 2HB SER 4 -14.380 -1.113 18.193 744 HB3 SER 4 1HB SER 4 -14.258 0.475 18.954 745 H HIS 5 H HIS 5 -18.506 -0.789 17.879 746 HA HIS 5 HA HIS 5 -18.017 -3.674 17.676 747 HD1 HIS 5 1HD HIS 5 -22.504 -3.097 17.442 748 HD2 HIS 5 2HD HIS 5 -20.267 -0.595 19.905 749 HE1 HIS 5 1HE HIS 5 -23.980 -1.117 17.924 750 HE2 HIS 5 2HE HIS 5 -22.694 0.255 19.609 751 HB2 HIS 5 2HB HIS 5 -20.381 -4.147 18.201 752 HB3 HIS 5 1HB HIS 5 -19.545 -3.393 19.549 753 H HIS 6 H HIS 6 -18.413 -0.938 16.049 754 HA HIS 6 HA HIS 6 -18.610 -2.051 13.541 755 HD1 HIS 6 1HD HIS 6 -22.815 -0.514 12.322 756 HD2 HIS 6 2HD HIS 6 -19.430 -2.732 11.366 757 HE1 HIS 6 1HE HIS 6 -22.871 -0.792 9.827 758 HE2 HIS 6 2HE HIS 6 -20.702 -1.945 9.257 759 HB2 HIS 6 2HB HIS 6 -20.993 -2.568 14.232 760 HB3 HIS 6 1HB HIS 6 -21.283 -0.832 14.294 761 H HIS 7 H HIS 7 -17.026 -0.178 14.641 762 HA HIS 7 HA HIS 7 -17.824 2.280 13.230 763 HD1 HIS 7 1HD HIS 7 -18.325 5.183 14.896 764 HD2 HIS 7 2HD HIS 7 -19.655 1.591 16.522 765 HE1 HIS 7 1HE HIS 7 -20.686 5.612 15.664 766 HE2 HIS 7 2HE HIS 7 -21.412 3.471 16.778 767 HB2 HIS 7 2HB HIS 7 -16.854 2.026 16.055 768 HB3 HIS 7 1HB HIS 7 -16.498 3.480 15.132 769 H HIS 8 H HIS 8 -16.141 3.571 12.441 770 HA HIS 8 HA HIS 8 -13.495 2.259 12.352 771 HD1 HIS 8 1HD HIS 8 -12.675 1.339 9.161 772 HD2 HIS 8 2HD HIS 8 -12.039 5.336 10.097 773 HE1 HIS 8 1HE HIS 8 -10.470 1.932 8.115 774 HE2 HIS 8 2HE HIS 8 -10.028 4.306 8.832 775 HB2 HIS 8 2HB HIS 8 -14.706 2.439 10.156 776 HB3 HIS 8 1HB HIS 8 -14.678 4.186 10.329 777 H HIS 9 H HIS 9 -12.838 3.241 14.265 778 HA HIS 9 HA HIS 9 -11.906 4.797 15.619 779 HD1 HIS 9 1HD HIS 9 -8.797 7.195 14.159 780 HD2 HIS 9 2HD HIS 9 -10.321 3.378 13.555 781 HE1 HIS 9 1HE HIS 9 -6.793 5.712 13.836 782 HE2 HIS 9 2HE HIS 9 -7.767 3.471 13.208 783 HB2 HIS 9 2HB HIS 9 -11.741 6.316 13.030 784 HB3 HIS 9 1HB HIS 9 -11.263 7.060 14.550 785 H HIS 10 H HIS 10 -13.070 5.634 17.191 786 HA HIS 10 HA HIS 10 -15.571 6.952 16.733 787 HD1 HIS 10 1HD HIS 10 -17.515 7.534 18.448 788 HD2 HIS 10 2HD HIS 10 -14.470 8.302 21.178 789 HE1 HIS 10 1HE HIS 10 -18.483 9.150 20.110 790 HE2 HIS 10 2HE HIS 10 -16.568 9.745 21.638 791 HB2 HIS 10 2HB HIS 10 -15.336 5.668 18.751 792 HB3 HIS 10 1HB HIS 10 -13.893 6.556 19.219 793 H SER 11 H SER 11 -12.334 7.960 17.733 794 HA SER 11 HA SER 11 -12.481 10.391 16.315 795 HG SER 11 HG SER 11 -12.500 12.840 18.945 796 HB2 SER 11 2HB SER 11 -13.964 11.044 18.197 797 HB3 SER 11 1HB SER 11 -12.653 10.700 19.325 798 H SER 12 H SER 12 -11.052 9.148 19.329 799 HA SER 12 HA SER 12 -8.919 8.876 20.032 800 HG SER 12 HG SER 12 -8.421 6.388 18.249 801 HB2 SER 12 2HB SER 12 -8.226 8.808 17.083 802 HB3 SER 12 1HB SER 12 -7.274 8.137 18.408 803 H GLY 13 H GLY 13 -6.474 9.803 19.115 804 HA2 GLY 13 2HA GLY 13 -6.895 12.715 18.898 805 HA3 GLY 13 1HA GLY 13 -5.695 12.023 19.987 806 H ARG 14 H ARG 14 -4.056 13.223 18.900 807 HA ARG 14 HA ARG 14 -2.947 11.735 16.685 808 HE ARG 14 HE ARG 14 -2.192 15.302 14.337 809 HB2 ARG 14 2HB ARG 14 -2.664 13.667 15.215 810 HB3 ARG 14 1HB ARG 14 -4.367 13.338 15.504 811 HG2 ARG 14 2HG ARG 14 -4.474 15.164 17.102 812 HG3 ARG 14 1HG ARG 14 -2.748 15.468 16.892 813 HD2 ARG 14 2HD ARG 14 -4.894 15.733 14.787 814 HD3 ARG 14 1HD ARG 14 -4.031 17.049 15.583 815 HH11 ARG 14 1HH1 ARG 14 -4.569 17.760 13.568 816 HH12 ARG 14 2HH1 ARG 14 -3.768 18.251 12.099 817 HH21 ARG 14 2HH2 ARG 14 -1.824 17.173 11.427 818 HH22 ARG 14 1HH2 ARG 14 -1.149 15.917 12.428 819 H GLU 15 H GLU 15 -0.832 12.984 15.957 820 HA GLU 15 HA GLU 15 1.282 13.545 16.482 821 HB2 GLU 15 2HB GLU 15 -0.043 15.181 18.648 822 HB3 GLU 15 1HB GLU 15 1.628 15.345 18.129 823 HG2 GLU 15 2HG GLU 15 0.875 15.975 15.895 824 HG3 GLU 15 1HG GLU 15 -0.801 15.810 16.411 825 H ASN 16 H ASN 16 1.403 11.265 17.053 826 HA ASN 16 HA ASN 16 2.591 10.996 19.705 827 HB2 ASN 16 2HB ASN 16 0.377 9.225 18.664 828 HB3 ASN 16 1HB ASN 16 1.534 8.648 19.852 829 HD21 ASN 16 2HD2 ASN 16 -1.496 11.110 20.911 830 HD22 ASN 16 1HD2 ASN 16 -1.177 10.707 19.262 831 H LEU 17 H LEU 17 1.698 8.639 17.206 832 HA LEU 17 HA LEU 17 4.549 8.319 16.569 833 HG LEU 17 HG LEU 17 4.249 4.979 18.109 834 HB2 LEU 17 2HB LEU 17 2.418 6.215 16.899 835 HB3 LEU 17 1HB LEU 17 3.876 5.909 15.981 836 HD11 LEU 17 1HD1 LEU 17 6.091 6.293 19.022 837 HD12 LEU 17 2HD1 LEU 17 5.572 7.681 18.067 838 HD13 LEU 17 3HD1 LEU 17 6.146 6.222 17.261 839 HD21 LEU 17 3HD2 LEU 17 3.947 6.195 20.211 840 HD22 LEU 17 1HD2 LEU 17 2.432 6.039 19.321 841 HD23 LEU 17 2HD2 LEU 17 3.302 7.573 19.319 842 H TYR 18 H TYR 18 4.428 6.755 14.408 843 HA TYR 18 HA TYR 18 3.870 8.573 12.379 844 HD1 TYR 18 1HD TYR 18 6.032 8.613 10.948 845 HD2 TYR 18 2HD TYR 18 6.246 5.115 13.361 846 HE1 TYR 18 1HE TYR 18 8.423 9.028 11.325 847 HE2 TYR 18 2HE TYR 18 8.642 5.523 13.747 848 HH TYR 18 HH TYR 18 10.118 8.429 13.141 849 HB2 TYR 18 2HB TYR 18 4.272 5.585 12.221 850 HB3 TYR 18 1HB TYR 18 4.303 6.676 10.847 851 H PHE 19 H PHE 19 2.101 5.609 13.256 852 HA PHE 19 HA PHE 19 -0.118 6.534 11.575 853 HD1 PHE 19 2HD PHE 19 0.473 5.730 9.650 854 HD2 PHE 19 1HD PHE 19 1.655 2.277 11.832 855 HE1 PHE 19 2HE PHE 19 1.981 5.087 7.813 856 HE2 PHE 19 1HE PHE 19 3.166 1.632 10.006 857 HZ PHE 19 HZ PHE 19 3.332 3.037 7.992 858 HB2 PHE 19 2HB PHE 19 0.276 3.814 12.842 859 HB3 PHE 19 1HB PHE 19 -0.969 4.257 11.678 860 H GLN 20 H GLN 20 -0.316 8.165 13.367 861 HA GLN 20 HA GLN 20 -1.425 9.064 15.115 862 HB2 GLN 20 2HB GLN 20 -3.393 8.058 14.018 863 HB3 GLN 20 1HB GLN 20 -3.145 6.585 14.945 864 HG2 GLN 20 2HG GLN 20 -3.541 7.815 17.015 865 HG3 GLN 20 1HG GLN 20 -3.779 9.297 16.088 866 HE21 GLN 20 2HE2 GLN 20 -7.055 8.563 15.144 867 HE22 GLN 20 1HE2 GLN 20 -5.667 9.569 14.918 868 H GLY 21 H GLY 21 -2.220 5.862 16.311 869 HA2 GLY 21 2HA GLY 21 -0.394 6.309 18.567 870 HA3 GLY 21 1HA GLY 21 -1.714 5.144 18.523 871 H MET 22 H MET 22 -1.165 4.035 16.032 872 HA MET 22 HA MET 22 0.086 2.607 14.833 873 HB2 MET 22 2HB MET 22 1.805 4.409 14.980 874 HB3 MET 22 1HB MET 22 2.489 3.574 16.370 875 HG2 MET 22 2HG MET 22 3.066 1.687 15.059 876 HG3 MET 22 1HG MET 22 2.150 2.288 13.677 877 HE1 MET 22 3HE MET 22 5.679 2.567 12.207 878 HE2 MET 22 1HE MET 22 4.021 2.002 11.996 879 HE3 MET 22 2HE MET 22 5.050 1.271 13.228 880 H THR 23 H THR 23 0.599 2.532 18.296 881 HA THR 23 HA THR 23 1.647 -0.087 18.455 882 HB THR 23 HB THR 23 1.789 1.511 20.308 883 HG1 THR 23 1HG THR 23 0.666 -1.035 20.632 884 HG21 THR 23 3HG2 THR 23 -0.394 2.576 20.098 885 HG22 THR 23 1HG2 THR 23 -0.159 1.955 21.733 886 HG23 THR 23 2HG2 THR 23 -1.185 1.081 20.596 887 H ASP 24 H ASP 24 -1.422 1.038 17.639 888 HA ASP 24 HA ASP 24 -2.538 -1.644 17.721 889 HB2 ASP 24 2HB ASP 24 -3.185 -0.772 19.890 890 HB3 ASP 24 1HB ASP 24 -3.795 0.704 19.154 891 H THR 25 H THR 25 -3.180 1.771 17.028 892 HA THR 25 HA THR 25 -5.277 1.282 15.196 893 HB THR 25 HB THR 25 -4.590 3.775 14.583 894 HG1 THR 25 1HG THR 25 -3.804 4.335 17.019 895 HG21 THR 25 3HG2 THR 25 -6.677 3.083 15.671 896 HG22 THR 25 1HG2 THR 25 -6.011 4.526 16.438 897 HG23 THR 25 2HG2 THR 25 -5.832 2.952 17.213 898 H ALA 26 H ALA 26 -1.922 0.995 14.789 899 HA ALA 26 HA ALA 26 -1.497 2.089 12.240 900 HB1 ALA 26 3HB ALA 26 0.496 0.710 12.163 901 HB2 ALA 26 1HB ALA 26 -0.105 -0.264 13.503 902 HB3 ALA 26 2HB ALA 26 0.307 1.432 13.761 903 H ALA 27 H ALA 27 -2.679 -1.059 13.256 904 HA ALA 27 HA ALA 27 -2.208 -2.400 10.815 905 HB1 ALA 27 3HB ALA 27 -4.137 -3.103 13.020 906 HB2 ALA 27 1HB ALA 27 -2.438 -3.574 12.946 907 HB3 ALA 27 2HB ALA 27 -3.576 -4.184 11.745 908 H GLU 28 H GLU 28 -4.935 -0.553 12.004 909 HA GLU 28 HA GLU 28 -6.888 -1.656 10.298 910 HB2 GLU 28 2HB GLU 28 -7.400 -0.364 12.349 911 HB3 GLU 28 1HB GLU 28 -6.854 1.097 11.538 912 HG2 GLU 28 2HG GLU 28 -8.615 0.748 9.829 913 HG3 GLU 28 1HG GLU 28 -9.205 -0.620 10.774 914 H ASP 29 H ASP 29 -4.979 1.343 10.005 915 HA ASP 29 HA ASP 29 -6.175 2.027 7.500 916 HB2 ASP 29 2HB ASP 29 -3.823 3.128 9.026 917 HB3 ASP 29 1HB ASP 29 -4.228 3.705 7.412 918 H VAL 30 H VAL 30 -3.219 0.383 8.469 919 HA VAL 30 HA VAL 30 -1.977 0.389 5.947 920 HB VAL 30 HB VAL 30 -1.689 -1.582 8.217 921 HG11 VAL 30 1HG1 VAL 30 0.060 -1.254 5.775 922 HG12 VAL 30 2HG1 VAL 30 -1.010 -2.619 6.093 923 HG13 VAL 30 3HG1 VAL 30 0.375 -2.322 7.144 924 HG21 VAL 30 3HG2 VAL 30 0.003 0.754 7.335 925 HG22 VAL 30 1HG2 VAL 30 0.400 -0.359 8.643 926 HG23 VAL 30 2HG2 VAL 30 -1.016 0.686 8.773 927 H ARG 31 H ARG 31 -4.187 -2.002 7.434 928 HA ARG 31 HA ARG 31 -4.041 -3.717 5.177 929 HE ARG 31 HE ARG 31 -7.649 -4.127 5.235 930 HB2 ARG 31 2HB ARG 31 -6.013 -4.885 6.091 931 HB3 ARG 31 1HB ARG 31 -4.715 -4.700 7.250 932 HG2 ARG 31 2HG ARG 31 -6.707 -4.351 8.436 933 HG3 ARG 31 1HG ARG 31 -6.002 -2.755 8.206 934 HD2 ARG 31 2HD ARG 31 -8.532 -3.062 7.838 935 HD3 ARG 31 1HD ARG 31 -7.618 -2.125 6.660 936 HH11 ARG 31 1HH1 ARG 31 -9.966 -3.976 7.857 937 HH12 ARG 31 2HH1 ARG 31 -11.150 -4.951 7.030 938 HH21 ARG 31 2HH2 ARG 31 -10.738 -5.712 4.897 939 HH22 ARG 31 1HH2 ARG 31 -9.219 -5.361 4.125 940 H LYS 32 H LYS 32 -5.937 -0.907 5.886 941 HA LYS 32 HA LYS 32 -8.029 -1.329 4.044 942 HB2 LYS 32 2HB LYS 32 -8.082 0.390 5.832 943 HB3 LYS 32 1HB LYS 32 -6.854 1.303 4.968 944 HG2 LYS 32 2HG LYS 32 -9.053 2.244 4.594 945 HG3 LYS 32 1HG LYS 32 -8.395 1.595 3.090 946 HD2 LYS 32 2HD LYS 32 -9.754 -0.425 3.361 947 HD3 LYS 32 1HD LYS 32 -10.395 0.203 4.880 948 HE2 LYS 32 2HE LYS 32 -11.431 2.057 3.706 949 HE3 LYS 32 1HE LYS 32 -10.711 1.525 2.187 950 HZ1 LYS 32 3HZ LYS 32 -13.026 0.868 2.361 951 HZ2 LYS 32 1HZ LYS 32 -12.702 -0.000 3.779 952 HZ3 LYS 32 2HZ LYS 32 -12.019 -0.497 2.313 953 H ILE 33 H ILE 33 -4.962 0.490 3.721 954 HA ILE 33 HA ILE 33 -5.386 1.064 0.962 955 HB ILE 33 HB ILE 33 -2.973 1.661 0.905 956 HG12 ILE 33 2HG1 ILE 33 -3.017 0.891 3.830 957 HG13 ILE 33 1HG1 ILE 33 -2.179 0.010 2.555 958 HG21 ILE 33 1HG2 ILE 33 -4.629 3.316 1.495 959 HG22 ILE 33 2HG2 ILE 33 -3.167 3.575 2.444 960 HG23 ILE 33 3HG2 ILE 33 -4.578 2.813 3.183 961 HD11 ILE 33 3HD1 ILE 33 -0.752 1.955 2.159 962 HD12 ILE 33 1HD1 ILE 33 -0.640 1.384 3.824 963 HD13 ILE 33 2HD1 ILE 33 -1.587 2.824 3.446 964 H ALA 34 H ALA 34 -3.954 -1.596 2.695 965 HA ALA 34 HA ALA 34 -2.679 -2.854 0.506 966 HB1 ALA 34 3HB ALA 34 -2.166 -3.415 2.833 967 HB2 ALA 34 1HB ALA 34 -2.631 -4.842 1.909 968 HB3 ALA 34 2HB ALA 34 -3.782 -4.100 3.021 969 H THR 35 H THR 35 -5.971 -2.882 1.709 970 HA THR 35 HA THR 35 -6.851 -5.096 0.162 971 HB THR 35 HB THR 35 -8.530 -2.827 1.270 972 HG1 THR 35 1HG THR 35 -7.162 -4.094 2.799 973 HG21 THR 35 3HG2 THR 35 -9.276 -5.664 0.531 974 HG22 THR 35 1HG2 THR 35 -9.681 -4.224 -0.403 975 HG23 THR 35 2HG2 THR 35 -10.360 -4.449 1.209 976 H ALA 36 H ALA 36 -6.464 -1.697 -0.445 977 HA ALA 36 HA ALA 36 -8.017 -1.343 -2.731 978 HB1 ALA 36 3HB ALA 36 -6.570 0.524 -3.264 979 HB2 ALA 36 1HB ALA 36 -5.341 -0.078 -2.152 980 HB3 ALA 36 2HB ALA 36 -6.893 0.486 -1.531 981 H LEU 37 H LEU 37 -5.026 -3.061 -2.310 982 HA LEU 37 HA LEU 37 -4.141 -3.196 -4.966 983 HG LEU 37 HG LEU 37 -2.948 -3.257 -2.014 984 HB2 LEU 37 2HB LEU 37 -3.954 -5.340 -2.843 985 HB3 LEU 37 1HB LEU 37 -2.976 -5.232 -4.290 986 HD11 LEU 37 1HD1 LEU 37 -0.711 -4.158 -1.572 987 HD12 LEU 37 2HD1 LEU 37 -0.962 -5.371 -2.827 988 HD13 LEU 37 3HD1 LEU 37 -1.969 -5.380 -1.379 989 HD21 LEU 37 3HD2 LEU 37 -1.197 -3.436 -4.466 990 HD22 LEU 37 1HD2 LEU 37 -1.030 -2.278 -3.147 991 HD23 LEU 37 2HD2 LEU 37 -2.453 -2.230 -4.189 992 H LEU 38 H LEU 38 -6.424 -5.204 -3.166 993 HA LEU 38 HA LEU 38 -6.957 -6.933 -5.407 994 HG LEU 38 HG LEU 38 -6.395 -8.720 -3.757 995 HB2 LEU 38 2HB LEU 38 -8.309 -6.635 -2.720 996 HB3 LEU 38 1HB LEU 38 -8.787 -7.819 -3.920 997 HD11 LEU 38 1HD1 LEU 38 -5.236 -8.280 -1.645 998 HD12 LEU 38 2HD1 LEU 38 -6.442 -7.057 -1.240 999 HD13 LEU 38 3HD1 LEU 38 -5.376 -6.823 -2.626 1000 HD21 LEU 38 3HD2 LEU 38 -6.935 -10.034 -1.761 1001 HD22 LEU 38 1HD2 LEU 38 -8.322 -9.881 -2.838 1002 HD23 LEU 38 2HD2 LEU 38 -8.233 -8.904 -1.372 1003 H LYS 39 H LYS 39 -8.200 -4.009 -4.105 1004 HA LYS 39 HA LYS 39 -10.813 -4.038 -5.099 1005 HB2 LYS 39 2HB LYS 39 -9.944 -2.431 -3.424 1006 HB3 LYS 39 1HB LYS 39 -9.010 -1.646 -4.690 1007 HG2 LYS 39 2HG LYS 39 -10.977 -0.361 -4.300 1008 HG3 LYS 39 1HG LYS 39 -11.141 -1.153 -5.868 1009 HD2 LYS 39 2HD LYS 39 -12.530 -2.898 -4.824 1010 HD3 LYS 39 1HD LYS 39 -12.391 -2.067 -3.273 1011 HE2 LYS 39 2HE LYS 39 -13.466 -0.086 -4.278 1012 HE3 LYS 39 1HE LYS 39 -13.654 -0.979 -5.786 1013 HZ1 LYS 39 3HZ LYS 39 -14.886 -1.669 -3.172 1014 HZ2 LYS 39 1HZ LYS 39 -15.026 -2.594 -4.588 1015 HZ3 LYS 39 2HZ LYS 39 -15.681 -1.034 -4.529 1016 H THR 40 H THR 40 -7.873 -2.620 -6.554 1017 HA THR 40 HA THR 40 -9.040 -2.974 -9.187 1018 HB THR 40 HB THR 40 -9.991 -0.836 -8.488 1019 HG1 THR 40 1HG THR 40 -8.031 -0.059 -10.347 1020 HG21 THR 40 3HG2 THR 40 -8.258 -0.135 -6.916 1021 HG22 THR 40 1HG2 THR 40 -8.563 1.118 -8.119 1022 HG23 THR 40 2HG2 THR 40 -7.131 0.097 -8.253 1023 H ALA 41 H ALA 41 -6.286 -2.703 -7.209 1024 HA ALA 41 HA ALA 41 -4.447 -1.758 -9.166 1025 HB1 ALA 41 3HB ALA 41 -4.001 -1.536 -6.774 1026 HB2 ALA 41 1HB ALA 41 -2.704 -2.400 -7.596 1027 HB3 ALA 41 2HB ALA 41 -3.883 -3.290 -6.630 1028 H ILE 42 H ILE 42 -5.602 -4.913 -8.195 1029 HA ILE 42 HA ILE 42 -3.720 -6.289 -9.915 1030 HB ILE 42 HB ILE 42 -4.368 -7.370 -7.828 1031 HG12 ILE 42 2HG1 ILE 42 -5.094 -9.580 -8.737 1032 HG13 ILE 42 1HG1 ILE 42 -5.417 -8.798 -10.283 1033 HG21 ILE 42 1HG2 ILE 42 -6.651 -8.255 -7.522 1034 HG22 ILE 42 2HG2 ILE 42 -7.164 -7.340 -8.941 1035 HG23 ILE 42 3HG2 ILE 42 -6.572 -6.494 -7.511 1036 HD11 ILE 42 3HD1 ILE 42 -2.737 -8.955 -8.921 1037 HD12 ILE 42 1HD1 ILE 42 -3.069 -8.214 -10.487 1038 HD13 ILE 42 2HD1 ILE 42 -3.275 -9.952 -10.273 1039 H GLU 43 H GLU 43 -4.063 -6.850 -11.958 1040 HA GLU 43 HA GLU 43 -6.650 -7.366 -13.047 1041 HB2 GLU 43 2HB GLU 43 -6.709 -5.575 -14.698 1042 HB3 GLU 43 1HB GLU 43 -6.685 -4.890 -13.081 1043 HG2 GLU 43 2HG GLU 43 -4.215 -4.572 -13.357 1044 HG3 GLU 43 1HG GLU 43 -4.417 -5.036 -15.046 1045 H ILE 44 H ILE 44 -6.244 -7.424 -15.658 1046 HA ILE 44 HA ILE 44 -3.909 -9.156 -15.900 1047 HB ILE 44 HB ILE 44 -5.022 -9.894 -18.023 1048 HG12 ILE 44 2HG1 ILE 44 -7.399 -8.386 -16.925 1049 HG13 ILE 44 1HG1 ILE 44 -6.432 -7.858 -18.300 1050 HG21 ILE 44 1HG2 ILE 44 -6.538 -10.267 -15.450 1051 HG22 ILE 44 2HG2 ILE 44 -5.163 -11.219 -16.010 1052 HG23 ILE 44 3HG2 ILE 44 -6.694 -11.285 -16.881 1053 HD11 ILE 44 3HD1 ILE 44 -7.086 -9.835 -19.540 1054 HD12 ILE 44 1HD1 ILE 44 -8.504 -8.939 -18.996 1055 HD13 ILE 44 2HD1 ILE 44 -8.016 -10.414 -18.157 1056 H VAL 45 H VAL 45 -2.250 -8.709 -17.221 1057 HA VAL 45 HA VAL 45 -2.299 -6.240 -18.757 1058 HB VAL 45 HB VAL 45 0.084 -6.780 -19.287 1059 HG11 VAL 45 1HG1 VAL 45 -0.619 -6.804 -16.351 1060 HG12 VAL 45 2HG1 VAL 45 -0.463 -5.373 -17.370 1061 HG13 VAL 45 3HG1 VAL 45 0.951 -6.371 -17.030 1062 HG21 VAL 45 3HG2 VAL 45 -0.047 -9.215 -19.155 1063 HG22 VAL 45 1HG2 VAL 45 -0.365 -9.113 -17.424 1064 HG23 VAL 45 2HG2 VAL 45 1.194 -8.594 -18.066 1065 H SER 46 H SER 46 -2.171 -6.146 -21.007 1066 HA SER 46 HA SER 46 -3.545 -8.359 -22.228 1067 HG SER 46 HG SER 46 -4.979 -7.262 -24.076 1068 HB2 SER 46 2HB SER 46 -4.064 -5.918 -22.630 1069 HB3 SER 46 1HB SER 46 -2.592 -5.839 -23.591 1070 H GLU 47 H GLU 47 -2.906 -9.508 -24.049 1071 HA GLU 47 HA GLU 47 -0.042 -10.004 -24.205 1072 HB2 GLU 47 2HB GLU 47 -2.440 -11.527 -24.601 1073 HB3 GLU 47 1HB GLU 47 -1.460 -11.608 -26.057 1074 HG2 GLU 47 2HG GLU 47 -0.482 -12.261 -23.290 1075 HG3 GLU 47 1HG GLU 47 -1.043 -13.445 -24.468 1076 H GLU 48 H GLU 48 0.813 -10.492 -26.463 1077 HA GLU 48 HA GLU 48 0.147 -8.235 -28.207 1078 HB2 GLU 48 2HB GLU 48 2.516 -8.627 -27.521 1079 HB3 GLU 48 1HB GLU 48 2.468 -10.168 -28.359 1080 HG2 GLU 48 2HG GLU 48 2.069 -9.016 -30.468 1081 HG3 GLU 48 1HG GLU 48 2.102 -7.466 -29.628 1082 H ASP 49 H ASP 49 0.090 -11.683 -27.974 1083 HA ASP 49 HA ASP 49 -0.502 -12.209 -30.723 1084 HB2 ASP 49 2HB ASP 49 0.471 -13.973 -29.399 1085 HB3 ASP 49 1HB ASP 49 -0.839 -13.880 -28.227 1086 H GLY 50 H GLY 50 -2.516 -12.501 -27.802 1087 HA2 GLY 50 2HA GLY 50 -4.691 -11.032 -28.517 1088 HA3 GLY 50 1HA GLY 50 -4.938 -12.564 -29.349 1089 H GLY 51 H GLY 51 -4.133 -11.269 -26.147 1090 HA2 GLY 51 2HA GLY 51 -6.181 -12.638 -24.796 1091 HA3 GLY 51 1HA GLY 51 -4.700 -13.584 -24.677 1092 H ALA 52 H ALA 52 -4.251 -13.292 -22.529 1093 HA ALA 52 HA ALA 52 -3.110 -10.774 -21.776 1094 HB1 ALA 52 3HB ALA 52 -5.569 -11.687 -20.284 1095 HB2 ALA 52 1HB ALA 52 -5.500 -10.315 -21.390 1096 HB3 ALA 52 2HB ALA 52 -4.562 -10.291 -19.897 1097 H HIS 53 H HIS 53 -2.383 -10.853 -19.439 1098 HA HIS 53 HA HIS 53 -1.992 -13.598 -18.447 1099 HD1 HIS 53 1HD HIS 53 0.344 -15.156 -19.116 1100 HD2 HIS 53 2HD HIS 53 0.809 -11.593 -21.216 1101 HE1 HIS 53 1HE HIS 53 1.289 -15.803 -21.353 1102 HE2 HIS 53 2HE HIS 53 1.509 -13.639 -22.638 1103 HB2 HIS 53 2HB HIS 53 0.101 -11.415 -18.586 1104 HB3 HIS 53 1HB HIS 53 0.287 -12.898 -17.660 1105 H ASN 54 H ASN 54 -2.255 -13.799 -16.235 1106 HA ASN 54 HA ASN 54 -3.342 -11.484 -14.865 1107 HB2 ASN 54 2HB ASN 54 -4.307 -13.821 -14.659 1108 HB3 ASN 54 1HB ASN 54 -2.876 -14.252 -13.732 1109 HD21 ASN 54 2HD2 ASN 54 -5.772 -13.218 -11.562 1110 HD22 ASN 54 1HD2 ASN 54 -5.643 -14.277 -12.919 1111 H GLN 55 H GLN 55 -1.921 -10.067 -14.088 1112 HA GLN 55 HA GLN 55 0.340 -11.027 -12.524 1113 HB2 GLN 55 2HB GLN 55 0.572 -9.438 -15.060 1114 HB3 GLN 55 1HB GLN 55 1.752 -9.228 -13.777 1115 HG2 GLN 55 2HG GLN 55 2.227 -11.655 -13.888 1116 HG3 GLN 55 1HG GLN 55 1.142 -11.762 -15.275 1117 HE21 GLN 55 2HE2 GLN 55 4.055 -11.349 -17.174 1118 HE22 GLN 55 1HE2 GLN 55 2.844 -12.450 -16.607 1119 H CYS 56 H CYS 56 0.732 -9.759 -10.823 1120 HA CYS 56 HA CYS 56 -0.533 -7.208 -10.505 1121 HG CYS 56 HG CYS 56 -0.275 -5.955 -7.913 1122 HB2 CYS 56 2HB CYS 56 0.096 -8.621 -8.567 1123 HB3 CYS 56 1HB CYS 56 1.793 -8.451 -9.003 1124 H LYS 57 H LYS 57 0.689 -5.180 -10.434 1125 HA LYS 57 HA LYS 57 2.207 -4.919 -12.799 1126 HB2 LYS 57 2HB LYS 57 1.452 -3.037 -10.599 1127 HB3 LYS 57 1HB LYS 57 2.572 -2.535 -11.853 1128 HG2 LYS 57 2HG LYS 57 0.286 -1.825 -12.329 1129 HG3 LYS 57 1HG LYS 57 0.890 -2.937 -13.554 1130 HD2 LYS 57 2HD LYS 57 -0.371 -4.753 -12.593 1131 HD3 LYS 57 1HD LYS 57 -0.874 -3.735 -11.244 1132 HE2 LYS 57 2HE LYS 57 -1.517 -3.008 -14.083 1133 HE3 LYS 57 1HE LYS 57 -2.534 -4.114 -13.161 1134 HZ1 LYS 57 3HZ LYS 57 -1.879 -1.317 -12.395 1135 HZ2 LYS 57 1HZ LYS 57 -2.837 -2.389 -11.498 1136 HZ3 LYS 57 2HZ LYS 57 -3.364 -1.860 -13.019 1137 H LEU 58 H LEU 58 3.204 -6.005 -9.811 1138 HA LEU 58 HA LEU 58 5.977 -5.515 -10.632 1139 HG LEU 58 HG LEU 58 5.900 -3.316 -9.442 1140 HB2 LEU 58 2HB LEU 58 5.006 -5.624 -7.773 1141 HB3 LEU 58 1HB LEU 58 6.683 -5.542 -8.267 1142 HD11 LEU 58 1HD1 LEU 58 4.178 -2.164 -8.135 1143 HD12 LEU 58 2HD1 LEU 58 3.882 -3.646 -7.228 1144 HD13 LEU 58 3HD1 LEU 58 3.532 -3.585 -8.956 1145 HD21 LEU 58 3HD2 LEU 58 7.591 -3.461 -7.702 1146 HD22 LEU 58 1HD2 LEU 58 6.335 -3.584 -6.472 1147 HD23 LEU 58 2HD2 LEU 58 6.513 -2.096 -7.403 1148 H CYS 59 H CYS 59 5.212 -7.406 -7.807 1149 HA CYS 59 HA CYS 59 5.255 -9.908 -9.321 1150 HG CYS 59 HG CYS 59 9.383 -9.395 -8.453 1151 HB2 CYS 59 2HB CYS 59 7.117 -9.418 -6.989 1152 HB3 CYS 59 1HB CYS 59 7.001 -10.877 -7.955 1153 H GLY 60 H GLY 60 3.655 -8.097 -7.257 1154 HA2 GLY 60 2HA GLY 60 3.410 -9.567 -4.873 1155 HA3 GLY 60 1HA GLY 60 2.265 -8.372 -5.460 1156 H ALA 61 H ALA 61 1.985 -10.009 -7.963 1157 HA ALA 61 HA ALA 61 0.823 -12.504 -7.116 1158 HB1 ALA 61 3HB ALA 61 -1.013 -10.949 -6.615 1159 HB2 ALA 61 1HB ALA 61 -1.423 -12.023 -7.952 1160 HB3 ALA 61 2HB ALA 61 -0.960 -10.353 -8.275 1161 H SER 62 H SER 62 0.836 -13.964 -8.814 1162 HA SER 62 HA SER 62 0.663 -13.122 -11.538 1163 HG SER 62 HG SER 62 2.367 -12.933 -13.055 1164 HB2 SER 62 2HB SER 62 3.073 -12.577 -10.873 1165 HB3 SER 62 1HB SER 62 3.328 -14.320 -10.770 1166 H VAL 63 H VAL 63 -0.075 -14.729 -12.757 1167 HA VAL 63 HA VAL 63 0.542 -17.466 -12.508 1168 HB VAL 63 HB VAL 63 -0.796 -17.149 -10.385 1169 HG11 VAL 63 1HG1 VAL 63 -3.229 -16.926 -10.547 1170 HG12 VAL 63 2HG1 VAL 63 -3.084 -16.662 -12.284 1171 HG13 VAL 63 3HG1 VAL 63 -2.390 -15.499 -11.156 1172 HG21 VAL 63 3HG2 VAL 63 -0.606 -19.356 -11.333 1173 HG22 VAL 63 1HG2 VAL 63 -1.943 -19.036 -12.437 1174 HG23 VAL 63 2HG2 VAL 63 -2.235 -19.129 -10.699 1175 HA PRO 64 HA PRO 64 -1.433 -17.452 -16.608 1176 HB2 PRO 64 1HB PRO 64 -1.875 -19.678 -17.133 1177 HB3 PRO 64 2HB PRO 64 -2.554 -20.021 -15.537 1178 HG2 PRO 64 2HG PRO 64 -0.432 -20.960 -15.306 1179 HG3 PRO 64 1HG PRO 64 0.315 -19.747 -16.363 1180 HD2 PRO 64 2HD PRO 64 -0.378 -19.578 -13.479 1181 HD3 PRO 64 1HD PRO 64 0.914 -18.763 -14.381 1182 H TRP 65 H TRP 65 -3.272 -16.443 -17.149 1183 HA TRP 65 HA TRP 65 -4.922 -15.451 -15.128 1184 HD1 TRP 65 HD TRP 65 -3.644 -16.125 -19.212 1185 HE1 TRP 65 1HE TRP 65 -4.935 -16.951 -21.284 1186 HE3 TRP 65 3HE TRP 65 -8.373 -14.806 -17.787 1187 HZ2 TRP 65 2HZ TRP 65 -7.609 -17.015 -22.193 1188 HZ3 TRP 65 3HZ TRP 65 -10.241 -15.283 -19.314 1189 HH2 TRP 65 HH TRP 65 -9.866 -16.367 -21.473 1190 HB2 TRP 65 2HB TRP 65 -6.157 -14.332 -16.874 1191 HB3 TRP 65 1HB TRP 65 -4.444 -14.290 -17.269 1192 H LEU 66 H LEU 66 -5.288 -18.271 -17.123 1193 HA LEU 66 HA LEU 66 -8.103 -18.509 -16.345 1194 HG LEU 66 HG LEU 66 -8.839 -21.092 -17.686 1195 HB2 LEU 66 2HB LEU 66 -7.316 -18.716 -18.766 1196 HB3 LEU 66 1HB LEU 66 -6.616 -20.254 -18.300 1197 HD11 LEU 66 1HD1 LEU 66 -9.868 -18.981 -17.032 1198 HD12 LEU 66 2HD1 LEU 66 -10.837 -19.804 -18.254 1199 HD13 LEU 66 3HD1 LEU 66 -9.827 -18.430 -18.708 1200 HD21 LEU 66 3HD2 LEU 66 -9.766 -21.215 -19.958 1201 HD22 LEU 66 1HD2 LEU 66 -8.021 -21.465 -19.948 1202 HD23 LEU 66 2HD2 LEU 66 -8.685 -19.915 -20.462 1203 H GLN 67 H GLN 67 -5.535 -19.114 -14.755 1204 HA GLN 67 HA GLN 67 -6.244 -21.873 -14.011 1205 HB2 GLN 67 2HB GLN 67 -3.923 -21.626 -14.763 1206 HB3 GLN 67 1HB GLN 67 -3.655 -20.378 -13.557 1207 HG2 GLN 67 2HG GLN 67 -3.998 -21.985 -11.774 1208 HG3 GLN 67 1HG GLN 67 -4.350 -23.243 -12.958 1209 HE21 GLN 67 2HE2 GLN 67 -0.782 -22.837 -14.118 1210 HE22 GLN 67 1HE2 GLN 67 -2.304 -22.382 -14.811 1211 H THR 68 H THR 68 -7.501 -21.951 -12.342 1212 HA THR 68 HA THR 68 -8.682 -21.429 -10.519 1213 HB THR 68 HB THR 68 -7.031 -22.624 -9.379 1214 HG1 THR 68 1HG THR 68 -8.174 -21.730 -7.809 1215 HG21 THR 68 3HG2 THR 68 -5.255 -20.228 -8.999 1216 HG22 THR 68 1HG2 THR 68 -5.052 -21.336 -10.357 1217 HG23 THR 68 2HG2 THR 68 -4.901 -21.925 -8.704 1218 H GLY 69 H GLY 69 -6.150 -19.013 -9.770 1219 HA2 GLY 69 2HA GLY 69 -6.368 -16.699 -9.728 1220 HA3 GLY 69 1HA GLY 69 -8.037 -16.873 -10.252 1221 H ASP 70 H ASP 70 -7.987 -18.976 -7.847 1222 HA ASP 70 HA ASP 70 -9.221 -17.122 -6.017 1223 HB2 ASP 70 2HB ASP 70 -10.179 -19.354 -6.292 1224 HB3 ASP 70 1HB ASP 70 -8.678 -20.085 -5.730 1225 H GLU 71 H GLU 71 -6.650 -19.545 -5.513 1226 HA GLU 71 HA GLU 71 -5.417 -17.715 -3.601 1227 HB2 GLU 71 2HB GLU 71 -3.952 -19.657 -3.036 1228 HB3 GLU 71 1HB GLU 71 -5.661 -19.937 -2.744 1229 HG2 GLU 71 2HG GLU 71 -5.810 -21.218 -4.816 1230 HG3 GLU 71 1HG GLU 71 -4.096 -20.934 -5.116 1231 H ILE 72 H ILE 72 -4.960 -16.320 -5.446 1232 HA ILE 72 HA ILE 72 -3.360 -17.068 -7.610 1233 HB ILE 72 HB ILE 72 -4.709 -15.046 -7.652 1234 HG12 ILE 72 2HG1 ILE 72 -1.795 -14.291 -7.909 1235 HG13 ILE 72 1HG1 ILE 72 -2.654 -15.273 -9.090 1236 HG21 ILE 72 1HG2 ILE 72 -2.754 -13.917 -5.657 1237 HG22 ILE 72 2HG2 ILE 72 -4.429 -14.358 -5.328 1238 HG23 ILE 72 3HG2 ILE 72 -4.066 -13.034 -6.436 1239 HD11 ILE 72 3HD1 ILE 72 -3.319 -12.441 -8.321 1240 HD12 ILE 72 1HD1 ILE 72 -4.203 -13.420 -9.492 1241 HD13 ILE 72 2HD1 ILE 72 -2.528 -12.962 -9.809 1242 H LYS 73 H LYS 73 -1.240 -17.165 -7.965 1243 HA LYS 73 HA LYS 73 0.401 -17.669 -5.718 1244 HB2 LYS 73 2HB LYS 73 0.528 -18.860 -7.929 1245 HB3 LYS 73 1HB LYS 73 1.266 -17.413 -8.600 1246 HG2 LYS 73 2HG LYS 73 3.183 -17.644 -7.219 1247 HG3 LYS 73 1HG LYS 73 2.418 -18.920 -6.265 1248 HD2 LYS 73 2HD LYS 73 2.340 -20.320 -8.318 1249 HD3 LYS 73 1HD LYS 73 3.241 -19.059 -9.165 1250 HE2 LYS 73 2HE LYS 73 5.090 -19.313 -7.615 1251 HE3 LYS 73 1HE LYS 73 4.186 -20.524 -6.706 1252 HZ1 LYS 73 3HZ LYS 73 5.078 -20.774 -9.528 1253 HZ2 LYS 73 1HZ LYS 73 4.194 -21.941 -8.665 1254 HZ3 LYS 73 2HZ LYS 73 5.777 -21.551 -8.190 1255 H HIS 74 H HIS 74 2.270 -16.635 -5.037 1256 HA HIS 74 HA HIS 74 2.500 -13.808 -5.833 1257 HD1 HIS 74 1HD HIS 74 4.540 -14.710 -1.913 1258 HD2 HIS 74 2HD HIS 74 0.812 -16.401 -2.649 1259 HE1 HIS 74 1HE HIS 74 4.351 -16.649 -0.333 1260 HE2 HIS 74 2HE HIS 74 2.198 -17.792 -0.967 1261 HB2 HIS 74 2HB HIS 74 3.031 -13.287 -3.446 1262 HB3 HIS 74 1HB HIS 74 1.382 -13.837 -3.698 1263 H ALA 75 H ALA 75 4.495 -13.028 -6.152 1264 HA ALA 75 HA ALA 75 6.783 -14.759 -5.516 1265 HB1 ALA 75 3HB ALA 75 6.776 -14.131 -7.819 1266 HB2 ALA 75 1HB ALA 75 8.040 -13.189 -7.030 1267 HB3 ALA 75 2HB ALA 75 6.490 -12.440 -7.416 1268 H ASP 76 H ASP 76 7.906 -14.274 -3.745 1269 HA ASP 76 HA ASP 76 6.860 -12.191 -2.101 1270 HB2 ASP 76 2HB ASP 76 8.940 -14.315 -1.628 1271 HB3 ASP 76 1HB ASP 76 8.381 -13.197 -0.399 1272 H ASP 77 H ASP 77 9.190 -12.043 -4.367 1273 HA ASP 77 HA ASP 77 11.117 -10.432 -2.972 1274 HB2 ASP 77 2HB ASP 77 12.147 -10.067 -5.102 1275 HB3 ASP 77 1HB ASP 77 11.653 -11.752 -5.043 1276 H CYS 78 H CYS 78 8.019 -9.896 -3.785 1277 HA CYS 78 HA CYS 78 8.431 -7.051 -4.420 1278 HG CYS 78 HG CYS 78 6.548 -5.566 -5.885 1279 HB2 CYS 78 2HB CYS 78 7.181 -8.316 -6.111 1280 HB3 CYS 78 1HB CYS 78 6.011 -8.799 -4.888 1281 HA PRO 79 HA PRO 79 6.890 -6.003 -0.376 1282 HB2 PRO 79 1HB PRO 79 7.336 -3.767 -0.265 1283 HB3 PRO 79 2HB PRO 79 6.243 -3.400 -1.602 1284 HG2 PRO 79 2HG PRO 79 8.265 -3.043 -2.670 1285 HG3 PRO 79 1HG PRO 79 9.108 -4.245 -1.675 1286 HD2 PRO 79 2HD PRO 79 7.316 -4.664 -4.039 1287 HD3 PRO 79 1HD PRO 79 8.839 -5.478 -3.619 1288 H VAL 80 H VAL 80 5.020 -6.172 -3.204 1289 HA VAL 80 HA VAL 80 2.559 -5.222 -2.078 1290 HB VAL 80 HB VAL 80 3.070 -6.946 -4.511 1291 HG11 VAL 80 1HG1 VAL 80 0.780 -6.388 -5.184 1292 HG12 VAL 80 2HG1 VAL 80 0.526 -5.585 -3.634 1293 HG13 VAL 80 3HG1 VAL 80 0.815 -7.324 -3.688 1294 HG21 VAL 80 3HG2 VAL 80 4.007 -4.699 -4.680 1295 HG22 VAL 80 1HG2 VAL 80 2.443 -4.005 -4.258 1296 HG23 VAL 80 2HG2 VAL 80 2.632 -4.895 -5.769 1297 H VAL 81 H VAL 81 4.302 -8.224 -2.116 1298 HA VAL 81 HA VAL 81 2.097 -9.936 -1.536 1299 HB VAL 81 HB VAL 81 5.044 -10.403 -1.074 1300 HG11 VAL 81 1HG1 VAL 81 2.763 -12.372 -1.200 1301 HG12 VAL 81 2HG1 VAL 81 3.641 -11.903 0.256 1302 HG13 VAL 81 3HG1 VAL 81 4.473 -12.770 -1.035 1303 HG21 VAL 81 3HG2 VAL 81 4.502 -9.936 -3.409 1304 HG22 VAL 81 1HG2 VAL 81 3.267 -11.194 -3.376 1305 HG23 VAL 81 2HG2 VAL 81 4.968 -11.622 -3.185 1306 H ILE 82 H ILE 82 4.480 -8.248 0.469 1307 HA ILE 82 HA ILE 82 3.952 -9.502 2.905 1308 HB ILE 82 HB ILE 82 5.826 -7.912 2.501 1309 HG12 ILE 82 2HG1 ILE 82 5.614 -6.721 4.765 1310 HG13 ILE 82 1HG1 ILE 82 4.058 -7.532 4.904 1311 HG21 ILE 82 1HG2 ILE 82 5.474 -5.519 2.796 1312 HG22 ILE 82 2HG2 ILE 82 3.731 -5.790 2.829 1313 HG23 ILE 82 3HG2 ILE 82 4.653 -6.144 1.367 1314 HD11 ILE 82 3HD1 ILE 82 6.728 -8.866 4.576 1315 HD12 ILE 82 1HD1 ILE 82 5.175 -9.692 4.709 1316 HD13 ILE 82 2HD1 ILE 82 5.795 -8.750 6.067 1317 H ALA 83 H ALA 83 2.315 -6.878 1.276 1318 HA ALA 83 HA ALA 83 0.585 -6.044 3.298 1319 HB1 ALA 83 3HB ALA 83 0.086 -6.110 0.325 1320 HB2 ALA 83 1HB ALA 83 0.890 -4.816 1.216 1321 HB3 ALA 83 2HB ALA 83 -0.817 -5.156 1.503 1322 H LYS 84 H LYS 84 0.181 -8.597 0.862 1323 HA LYS 84 HA LYS 84 -2.428 -9.378 1.537 1324 HB2 LYS 84 2HB LYS 84 -0.120 -10.843 0.291 1325 HB3 LYS 84 1HB LYS 84 -1.584 -11.710 0.716 1326 HG2 LYS 84 2HG LYS 84 -1.800 -11.188 -1.547 1327 HG3 LYS 84 1HG LYS 84 -2.827 -10.028 -0.708 1328 HD2 LYS 84 2HD LYS 84 -1.227 -8.291 -0.988 1329 HD3 LYS 84 1HD LYS 84 -0.005 -9.430 -1.556 1330 HE2 LYS 84 2HE LYS 84 -2.596 -8.825 -2.973 1331 HE3 LYS 84 1HE LYS 84 -1.034 -8.124 -3.384 1332 HZ1 LYS 84 3HZ LYS 84 -1.639 -10.027 -4.791 1333 HZ2 LYS 84 1HZ LYS 84 -1.644 -11.040 -3.435 1334 HZ3 LYS 84 2HZ LYS 84 -0.206 -10.302 -3.939 1335 H GLN 85 H GLN 85 0.707 -10.389 2.799 1336 HA GLN 85 HA GLN 85 -0.333 -12.461 4.433 1337 HB2 GLN 85 2HB GLN 85 2.049 -12.262 3.610 1338 HB3 GLN 85 1HB GLN 85 2.289 -11.013 4.825 1339 HG2 GLN 85 2HG GLN 85 1.829 -12.577 6.590 1340 HG3 GLN 85 1HG GLN 85 1.414 -13.828 5.423 1341 HE21 GLN 85 2HE2 GLN 85 4.632 -15.006 5.866 1342 HE22 GLN 85 1HE2 GLN 85 2.931 -15.243 6.102 1343 H ILE 86 H ILE 86 0.394 -9.050 4.974 1344 HA ILE 86 HA ILE 86 0.100 -9.004 7.761 1345 HB ILE 86 HB ILE 86 -0.509 -6.829 5.747 1346 HG12 ILE 86 2HG1 ILE 86 1.909 -7.297 7.510 1347 HG13 ILE 86 1HG1 ILE 86 1.831 -7.621 5.781 1348 HG21 ILE 86 1HG2 ILE 86 -1.694 -6.387 7.824 1349 HG22 ILE 86 2HG2 ILE 86 -0.350 -5.262 7.628 1350 HG23 ILE 86 3HG2 ILE 86 -0.203 -6.623 8.739 1351 HD11 ILE 86 3HD1 ILE 86 2.985 -5.526 6.282 1352 HD12 ILE 86 1HD1 ILE 86 1.530 -4.916 7.069 1353 HD13 ILE 86 2HD1 ILE 86 1.520 -5.255 5.337 1354 H LEU 87 H LEU 87 -2.334 -8.428 5.211 1355 HA LEU 87 HA LEU 87 -4.426 -8.025 7.113 1356 HG LEU 87 HG LEU 87 -3.505 -8.883 3.638 1357 HB2 LEU 87 2HB LEU 87 -5.936 -8.037 5.162 1358 HB3 LEU 87 1HB LEU 87 -4.598 -6.921 5.000 1359 HD11 LEU 87 1HD1 LEU 87 -6.445 -9.497 3.359 1360 HD12 LEU 87 2HD1 LEU 87 -5.235 -10.537 4.111 1361 HD13 LEU 87 3HD1 LEU 87 -5.146 -10.184 2.384 1362 HD21 LEU 87 3HD2 LEU 87 -4.484 -7.951 1.598 1363 HD22 LEU 87 1HD2 LEU 87 -4.052 -6.687 2.748 1364 HD23 LEU 87 2HD2 LEU 87 -5.739 -7.168 2.559 1365 H SER 88 H SER 88 -3.000 -10.823 5.760 1366 HA SER 88 HA SER 88 -5.267 -12.531 6.284 1367 HG SER 88 HG SER 88 -3.296 -12.225 3.842 1368 HB2 SER 88 2HB SER 88 -2.396 -13.204 5.589 1369 HB3 SER 88 1HB SER 88 -3.730 -14.352 5.650 1370 H SER 89 H SER 89 -2.320 -11.532 7.874 1371 HA SER 89 HA SER 89 -2.422 -13.452 9.975 1372 HG SER 89 HG SER 89 -0.223 -12.083 8.304 1373 HB2 SER 89 2HB SER 89 -1.067 -10.741 9.887 1374 HB3 SER 89 1HB SER 89 -0.776 -12.000 11.088 1375 H ARG 90 H ARG 90 -3.203 -10.003 9.817 1376 HA ARG 90 HA ARG 90 -4.637 -8.654 10.883 1377 HE ARG 90 HE ARG 90 -7.792 -13.661 11.895 1378 HB2 ARG 90 2HB ARG 90 -6.886 -9.351 11.051 1379 HB3 ARG 90 1HB ARG 90 -6.196 -10.234 9.700 1380 HG2 ARG 90 2HG ARG 90 -5.960 -12.215 11.138 1381 HG3 ARG 90 1HG ARG 90 -6.694 -11.317 12.468 1382 HD2 ARG 90 2HD ARG 90 -8.741 -11.058 11.176 1383 HD3 ARG 90 1HD ARG 90 -8.007 -11.909 9.819 1384 HH11 ARG 90 1HH1 ARG 90 -10.446 -11.973 10.356 1385 HH12 ARG 90 2HH1 ARG 90 -11.624 -13.182 10.767 1386 HH21 ARG 90 2HH2 ARG 90 -10.980 -15.051 11.974 1387 HH22 ARG 90 1HH2 ARG 90 -9.310 -15.253 12.424 1388 HA PRO 91 HA PRO 91 -4.386 -8.732 15.336 1389 HB2 PRO 91 1HB PRO 91 -5.654 -6.977 16.067 1390 HB3 PRO 91 2HB PRO 91 -7.153 -7.708 15.482 1391 HG2 PRO 91 2HG PRO 91 -6.925 -6.000 13.925 1392 HG3 PRO 91 1HG PRO 91 -5.153 -6.034 14.013 1393 HD2 PRO 91 2HD PRO 91 -7.016 -7.875 12.554 1394 HD3 PRO 91 1HD PRO 91 -5.467 -7.184 12.021 1395 H LYS 92 H LYS 92 -4.659 -10.415 16.675 1396 HA LYS 92 HA LYS 92 -6.890 -12.236 16.121 1397 HB2 LYS 92 2HB LYS 92 -4.210 -12.725 17.416 1398 HB3 LYS 92 1HB LYS 92 -5.484 -13.930 17.308 1399 HG2 LYS 92 2HG LYS 92 -5.393 -13.841 14.882 1400 HG3 LYS 92 1HG LYS 92 -4.137 -12.602 14.966 1401 HD2 LYS 92 2HD LYS 92 -2.634 -14.142 16.053 1402 HD3 LYS 92 1HD LYS 92 -3.900 -15.367 16.135 1403 HE2 LYS 92 2HE LYS 92 -2.359 -15.844 14.320 1404 HE3 LYS 92 1HE LYS 92 -3.964 -15.469 13.696 1405 HZ1 LYS 92 3HZ LYS 92 -2.025 -14.427 12.512 1406 HZ2 LYS 92 1HZ LYS 92 -1.808 -13.439 13.873 1407 HZ3 LYS 92 2HZ LYS 92 -3.253 -13.356 12.984 1408 H LEU 93 H LEU 93 -8.472 -12.422 17.526 1409 HA LEU 93 HA LEU 93 -8.042 -11.586 20.308 1410 HG LEU 93 HG LEU 93 -9.346 -9.500 19.807 1411 HB2 LEU 93 2HB LEU 93 -10.592 -12.027 18.745 1412 HB3 LEU 93 1HB LEU 93 -10.547 -11.674 20.459 1413 HD11 LEU 93 1HD1 LEU 93 -8.775 -10.087 17.517 1414 HD12 LEU 93 2HD1 LEU 93 -9.825 -8.671 17.552 1415 HD13 LEU 93 3HD1 LEU 93 -10.484 -10.247 17.116 1416 HD21 LEU 93 3HD2 LEU 93 -11.645 -9.607 20.621 1417 HD22 LEU 93 1HD2 LEU 93 -12.216 -9.922 18.983 1418 HD23 LEU 93 2HD2 LEU 93 -11.466 -8.375 19.374 1419 H HIS 94 H HIS 94 -7.432 -13.264 21.555 1420 HA HIS 94 HA HIS 94 -8.266 -15.949 20.775 1421 HD1 HIS 94 1HD HIS 94 -6.565 -17.062 24.527 1422 HD2 HIS 94 2HD HIS 94 -6.271 -18.263 20.552 1423 HE1 HIS 94 1HE HIS 94 -6.365 -19.571 24.583 1424 HE2 HIS 94 2HE HIS 94 -6.041 -20.264 22.180 1425 HB2 HIS 94 2HB HIS 94 -5.867 -15.494 21.281 1426 HB3 HIS 94 1HB HIS 94 -6.320 -15.131 22.943 1427 H ALA 95 H ALA 95 -10.239 -16.446 21.489 1428 HA ALA 95 HA ALA 95 -10.641 -16.445 24.386 1429 HB1 ALA 95 3HB ALA 95 -12.673 -15.400 22.420 1430 HB2 ALA 95 1HB ALA 95 -11.768 -14.435 23.586 1431 HB3 ALA 95 2HB ALA 95 -12.937 -15.630 24.148 1432 H VAL 96 H VAL 96 -12.176 -18.022 25.104 1433 HA VAL 96 HA VAL 96 -12.642 -20.158 23.137 1434 HB VAL 96 HB VAL 96 -12.693 -20.373 26.155 1435 HG11 VAL 96 1HG1 VAL 96 -12.724 -22.496 24.016 1436 HG12 VAL 96 2HG1 VAL 96 -14.080 -22.026 25.040 1437 HG13 VAL 96 3HG1 VAL 96 -12.653 -22.783 25.753 1438 HG21 VAL 96 3HG2 VAL 96 -10.450 -19.855 25.361 1439 HG22 VAL 96 1HG2 VAL 96 -10.533 -21.203 24.223 1440 HG23 VAL 96 2HG2 VAL 96 -10.553 -21.510 25.960 Start of MODEL 2 1 HA MET 1 HA MET 1 25.901 14.683 -7.396 2 H1 MET 1 1H MET 1 24.617 12.574 -9.028 3 H2 MET 1 2H MET 1 25.475 12.339 -7.584 4 H3 MET 1 3H MET 1 26.280 12.913 -8.959 5 HB2 MET 1 2HB MET 1 24.893 16.269 -8.910 6 HB3 MET 1 1HB MET 1 25.867 15.137 -9.837 7 HG2 MET 1 2HG MET 1 23.840 13.912 -10.453 8 HG3 MET 1 1HG MET 1 22.873 15.076 -9.548 9 HE1 MET 1 3HE MET 1 24.412 17.817 -10.211 10 HE2 MET 1 1HE MET 1 22.657 17.646 -10.198 11 HE3 MET 1 2HE MET 1 23.461 18.377 -11.588 12 H GLY 2 H GLY 2 23.619 12.394 -7.267 13 HA2 GLY 2 2HA GLY 2 21.221 13.744 -6.687 14 HA3 GLY 2 1HA GLY 2 21.654 12.137 -6.121 15 H SER 3 H SER 3 20.755 15.104 -5.099 16 HA SER 3 HA SER 3 22.462 15.082 -2.708 17 HG SER 3 HG SER 3 22.347 16.999 -5.109 18 HB2 SER 3 2HB SER 3 20.585 17.237 -3.713 19 HB3 SER 3 1HB SER 3 21.712 17.382 -2.362 20 H SER 4 H SER 4 19.678 13.742 -3.649 21 HA SER 4 HA SER 4 18.382 14.127 -1.038 22 HG SER 4 HG SER 4 15.200 13.397 -2.470 23 HB2 SER 4 2HB SER 4 16.997 14.761 -2.997 24 HB3 SER 4 1HB SER 4 17.150 13.117 -3.616 25 H HIS 5 H HIS 5 18.466 12.497 0.329 26 HA HIS 5 HA HIS 5 18.402 9.764 -0.641 27 HD1 HIS 5 1HD HIS 5 22.033 12.213 0.082 28 HD2 HIS 5 2HD HIS 5 20.337 10.363 3.404 29 HE1 HIS 5 1HE HIS 5 22.953 13.425 2.081 30 HE2 HIS 5 2HE HIS 5 22.054 12.182 4.079 31 HB2 HIS 5 2HB HIS 5 20.295 9.064 0.816 32 HB3 HIS 5 1HB HIS 5 20.794 10.105 -0.508 33 H HIS 6 H HIS 6 17.479 8.338 0.793 34 HA HIS 6 HA HIS 6 15.939 9.612 2.889 35 HD1 HIS 6 1HD HIS 6 12.631 7.891 2.115 36 HD2 HIS 6 2HD HIS 6 15.692 8.555 -0.614 37 HE1 HIS 6 1HE HIS 6 11.506 8.707 0.025 38 HE2 HIS 6 2HE HIS 6 13.390 9.296 -1.537 39 HB2 HIS 6 2HB HIS 6 15.971 6.754 1.881 40 HB3 HIS 6 1HB HIS 6 14.859 7.371 3.099 41 H HIS 7 H HIS 7 15.945 8.904 5.105 42 HA HIS 7 HA HIS 7 18.639 8.742 6.013 43 HD1 HIS 7 1HD HIS 7 19.501 10.313 8.039 44 HD2 HIS 7 2HD HIS 7 16.913 7.781 10.095 45 HE1 HIS 7 1HE HIS 7 20.538 9.968 10.307 46 HE2 HIS 7 2HE HIS 7 19.048 8.299 11.466 47 HB2 HIS 7 2HB HIS 7 16.892 10.106 7.129 48 HB3 HIS 7 1HB HIS 7 16.102 8.623 7.651 49 H HIS 8 H HIS 8 16.399 6.322 5.247 50 HA HIS 8 HA HIS 8 18.051 4.391 6.731 51 HD1 HIS 8 1HD HIS 8 17.472 3.667 9.125 52 HD2 HIS 8 2HD HIS 8 13.853 5.519 8.234 53 HE1 HIS 8 1HE HIS 8 16.648 4.632 11.295 54 HE2 HIS 8 2HE HIS 8 14.395 5.645 10.763 55 HB2 HIS 8 2HB HIS 8 15.078 4.240 6.216 56 HB3 HIS 8 1HB HIS 8 16.042 2.894 6.804 57 H HIS 9 H HIS 9 15.550 4.239 4.200 58 HA HIS 9 HA HIS 9 15.410 3.054 2.292 59 HD1 HIS 9 1HD HIS 9 19.353 2.573 0.488 60 HD2 HIS 9 2HD HIS 9 19.019 5.889 2.974 61 HE1 HIS 9 1HE HIS 9 21.713 3.276 1.000 62 HE2 HIS 9 2HE HIS 9 21.481 5.398 2.354 63 HB2 HIS 9 2HB HIS 9 17.007 3.564 0.573 64 HB3 HIS 9 1HB HIS 9 16.745 5.001 1.539 65 H HIS 10 H HIS 10 15.955 1.469 4.394 66 HA HIS 10 HA HIS 10 16.380 -0.702 4.859 67 HD1 HIS 10 1HD HIS 10 15.108 -3.029 4.387 68 HD2 HIS 10 2HD HIS 10 18.386 -3.437 1.854 69 HE1 HIS 10 1HE HIS 10 15.710 -5.475 4.437 70 HE2 HIS 10 2HE HIS 10 17.616 -5.716 2.801 71 HB2 HIS 10 2HB HIS 10 15.588 -1.021 2.502 72 HB3 HIS 10 1HB HIS 10 17.267 -0.984 1.982 73 H SER 11 H SER 11 18.524 1.367 5.120 74 HA SER 11 HA SER 11 20.906 -0.289 4.997 75 HG SER 11 HG SER 11 20.858 3.492 6.539 76 HB2 SER 11 2HB SER 11 22.031 1.607 6.110 77 HB3 SER 11 1HB SER 11 21.146 2.133 4.680 78 H SER 12 H SER 12 18.241 -0.055 6.920 79 HA SER 12 HA SER 12 19.470 -1.724 8.949 80 HG SER 12 HG SER 12 20.507 0.332 9.351 81 HB2 SER 12 2HB SER 12 17.833 0.730 9.659 82 HB3 SER 12 1HB SER 12 18.459 -0.462 10.800 83 H GLY 13 H GLY 13 17.608 -2.570 10.436 84 HA2 GLY 13 2HA GLY 13 15.331 -3.290 10.567 85 HA3 GLY 13 1HA GLY 13 15.139 -2.894 8.862 86 H ARG 14 H ARG 14 17.077 -5.002 10.951 87 HA ARG 14 HA ARG 14 17.432 -6.915 8.792 88 HE ARG 14 HE ARG 14 21.764 -9.725 10.034 89 HB2 ARG 14 2HB ARG 14 19.261 -6.238 10.381 90 HB3 ARG 14 1HB ARG 14 18.373 -7.043 11.664 91 HG2 ARG 14 2HG ARG 14 18.532 -9.149 10.298 92 HG3 ARG 14 1HG ARG 14 19.660 -8.281 9.253 93 HD2 ARG 14 2HD ARG 14 21.058 -7.815 11.262 94 HD3 ARG 14 1HD ARG 14 19.974 -8.845 12.199 95 HH11 ARG 14 1HH1 ARG 14 19.704 -10.470 12.781 96 HH12 ARG 14 2HH1 ARG 14 20.163 -12.152 12.815 97 HH21 ARG 14 2HH2 ARG 14 21.683 -12.971 11.286 98 HH22 ARG 14 1HH2 ARG 14 22.365 -11.908 10.092 99 H GLU 15 H GLU 15 15.084 -6.299 11.008 100 HA GLU 15 HA GLU 15 14.345 -9.126 11.316 101 HB2 GLU 15 2HB GLU 15 13.622 -8.599 13.630 102 HB3 GLU 15 1HB GLU 15 15.354 -8.389 13.397 103 HG2 GLU 15 2HG GLU 15 14.778 -5.920 12.966 104 HG3 GLU 15 1HG GLU 15 13.234 -6.307 13.721 105 H ASN 16 H ASN 16 12.057 -9.464 11.764 106 HA ASN 16 HA ASN 16 10.369 -7.228 10.862 107 HB2 ASN 16 2HB ASN 16 8.856 -8.774 9.823 108 HB3 ASN 16 1HB ASN 16 10.473 -9.173 9.262 109 HD21 ASN 16 2HD2 ASN 16 10.504 -12.375 10.649 110 HD22 ASN 16 1HD2 ASN 16 11.426 -11.107 9.908 111 H LEU 17 H LEU 17 8.585 -6.735 12.066 112 HA LEU 17 HA LEU 17 8.106 -8.394 14.444 113 HG LEU 17 HG LEU 17 10.443 -6.475 14.654 114 HB2 LEU 17 2HB LEU 17 8.249 -5.381 14.294 115 HB3 LEU 17 1HB LEU 17 7.608 -6.259 15.670 116 HD11 LEU 17 1HD1 LEU 17 9.322 -5.047 17.058 117 HD12 LEU 17 2HD1 LEU 17 10.013 -4.290 15.624 118 HD13 LEU 17 3HD1 LEU 17 11.035 -5.254 16.691 119 HD21 LEU 17 3HD2 LEU 17 9.688 -8.526 15.713 120 HD22 LEU 17 1HD2 LEU 17 9.112 -7.614 17.109 121 HD23 LEU 17 2HD2 LEU 17 10.837 -7.686 16.754 122 H TYR 18 H TYR 18 5.977 -7.030 15.476 123 HA TYR 18 HA TYR 18 3.968 -7.328 13.344 124 HD1 TYR 18 2HD TYR 18 3.873 -10.070 13.307 125 HD2 TYR 18 1HD TYR 18 0.791 -8.161 15.537 126 HE1 TYR 18 2HE TYR 18 2.191 -11.406 12.110 127 HE2 TYR 18 1HE TYR 18 -0.899 -9.495 14.349 128 HH TYR 18 HH TYR 18 -0.047 -12.149 12.282 129 HB2 TYR 18 2HB TYR 18 4.252 -8.893 15.603 130 HB3 TYR 18 1HB TYR 18 3.018 -7.736 16.087 131 H PHE 19 H PHE 19 1.765 -6.431 14.809 132 HA PHE 19 HA PHE 19 2.149 -3.609 14.642 133 HD1 PHE 19 1HD PHE 19 0.642 -2.783 12.934 134 HD2 PHE 19 2HD PHE 19 -1.054 -6.544 13.962 135 HE1 PHE 19 1HE PHE 19 0.039 -3.141 10.577 136 HE2 PHE 19 2HE PHE 19 -1.658 -6.920 11.604 137 HZ PHE 19 HZ PHE 19 -1.112 -5.216 9.909 138 HB2 PHE 19 2HB PHE 19 -0.220 -5.214 15.627 139 HB3 PHE 19 1HB PHE 19 -0.227 -3.474 15.356 140 H GLN 20 H GLN 20 1.487 -2.123 16.399 141 HA GLN 20 HA GLN 20 1.674 -1.225 18.470 142 HB2 GLN 20 2HB GLN 20 0.409 -3.226 19.245 143 HB3 GLN 20 1HB GLN 20 1.940 -4.052 19.504 144 HG2 GLN 20 2HG GLN 20 2.562 -2.449 21.197 145 HG3 GLN 20 1HG GLN 20 1.101 -1.512 20.886 146 HE21 GLN 20 2HE2 GLN 20 -0.288 -3.208 23.586 147 HE22 GLN 20 1HE2 GLN 20 0.333 -1.717 22.959 148 H GLY 21 H GLY 21 3.870 -4.028 18.265 149 HA2 GLY 21 2HA GLY 21 6.034 -2.378 19.337 150 HA3 GLY 21 1HA GLY 21 6.091 -4.114 19.054 151 H MET 22 H MET 22 5.997 -0.988 17.399 152 HA MET 22 HA MET 22 7.811 -2.054 15.378 153 HB2 MET 22 2HB MET 22 6.459 -0.967 13.565 154 HB3 MET 22 1HB MET 22 5.712 -2.384 14.291 155 HG2 MET 22 2HG MET 22 4.232 -1.001 15.582 156 HG3 MET 22 1HG MET 22 5.047 0.457 15.022 157 HE1 MET 22 3HE MET 22 4.384 -2.632 12.712 158 HE2 MET 22 1HE MET 22 2.757 -2.305 12.110 159 HE3 MET 22 2HE MET 22 3.005 -2.713 13.809 160 H THR 23 H THR 23 9.063 -0.489 14.329 161 HA THR 23 HA THR 23 8.922 2.232 15.420 162 HB THR 23 HB THR 23 11.434 2.197 15.590 163 HG1 THR 23 1HG THR 23 12.351 0.024 15.737 164 HG21 THR 23 3HG2 THR 23 9.950 0.198 17.296 165 HG22 THR 23 1HG2 THR 23 10.070 1.935 17.586 166 HG23 THR 23 2HG2 THR 23 11.510 0.923 17.690 167 H ASP 24 H ASP 24 11.479 2.877 14.051 168 HA ASP 24 HA ASP 24 10.648 4.097 11.783 169 HB2 ASP 24 2HB ASP 24 13.330 3.032 12.593 170 HB3 ASP 24 1HB ASP 24 13.126 3.783 11.015 171 H THR 25 H THR 25 12.037 0.822 11.917 172 HA THR 25 HA THR 25 12.298 0.340 9.212 173 HB THR 25 HB THR 25 11.507 -1.711 11.288 174 HG1 THR 25 1HG THR 25 13.437 -1.431 12.105 175 HG21 THR 25 3HG2 THR 25 11.439 -2.518 8.968 176 HG22 THR 25 1HG2 THR 25 12.755 -3.267 9.873 177 HG23 THR 25 2HG2 THR 25 13.098 -1.969 8.730 178 H ALA 26 H ALA 26 9.451 -0.167 11.264 179 HA ALA 26 HA ALA 26 7.897 -1.488 9.312 180 HB1 ALA 26 3HB ALA 26 5.997 -1.023 10.781 181 HB2 ALA 26 1HB ALA 26 6.993 0.097 11.712 182 HB3 ALA 26 2HB ALA 26 7.382 -1.623 11.691 183 H ALA 27 H ALA 27 8.271 1.901 10.188 184 HA ALA 27 HA ALA 27 6.130 2.901 8.637 185 HB1 ALA 27 3HB ALA 27 7.198 4.174 10.450 186 HB2 ALA 27 1HB ALA 27 7.163 5.078 8.935 187 HB3 ALA 27 2HB ALA 27 8.658 4.315 9.471 188 H GLU 28 H GLU 28 9.531 2.304 7.928 189 HA GLU 28 HA GLU 28 9.402 3.504 5.331 190 HB2 GLU 28 2HB GLU 28 11.510 3.465 6.542 191 HB3 GLU 28 1HB GLU 28 11.485 1.707 6.580 192 HG2 GLU 28 2HG GLU 28 11.924 1.531 4.297 193 HG3 GLU 28 1HG GLU 28 11.463 3.205 3.988 194 H ASP 29 H ASP 29 9.167 0.235 6.617 195 HA ASP 29 HA ASP 29 9.271 -1.131 4.152 196 HB2 ASP 29 2HB ASP 29 9.443 -2.075 6.547 197 HB3 ASP 29 1HB ASP 29 7.681 -2.101 6.517 198 H VAL 30 H VAL 30 6.556 0.159 6.038 199 HA VAL 30 HA VAL 30 4.563 -0.624 4.169 200 HB VAL 30 HB VAL 30 4.480 1.565 6.260 201 HG11 VAL 30 1HG1 VAL 30 2.042 1.443 6.036 202 HG12 VAL 30 2HG1 VAL 30 2.224 0.310 4.698 203 HG13 VAL 30 3HG1 VAL 30 2.802 1.969 4.534 204 HG21 VAL 30 3HG2 VAL 30 3.213 -0.066 7.570 205 HG22 VAL 30 1HG2 VAL 30 4.832 -0.657 7.191 206 HG23 VAL 30 2HG2 VAL 30 3.440 -1.263 6.293 207 H ARG 31 H ARG 31 6.576 2.265 4.519 208 HA ARG 31 HA ARG 31 5.386 3.850 2.517 209 HE ARG 31 HE ARG 31 8.595 6.879 4.190 210 HB2 ARG 31 2HB ARG 31 7.159 4.657 4.076 211 HB3 ARG 31 1HB ARG 31 8.333 3.684 3.199 212 HG2 ARG 31 2HG ARG 31 7.553 5.023 1.132 213 HG3 ARG 31 1HG ARG 31 6.888 6.151 2.313 214 HD2 ARG 31 2HD ARG 31 9.760 5.307 1.986 215 HD3 ARG 31 1HD ARG 31 9.074 6.905 1.703 216 HH11 ARG 31 1HH1 ARG 31 11.265 5.166 2.713 217 HH12 ARG 31 2HH1 ARG 31 12.235 5.145 4.162 218 HH21 ARG 31 2HH2 ARG 31 11.425 6.152 6.088 219 HH22 ARG 31 1HH2 ARG 31 9.866 6.914 6.084 220 H LYS 32 H LYS 32 7.776 1.274 2.388 221 HA LYS 32 HA LYS 32 8.452 1.456 -0.337 222 HB2 LYS 32 2HB LYS 32 9.667 0.142 1.414 223 HB3 LYS 32 1HB LYS 32 8.354 -1.022 1.394 224 HG2 LYS 32 2HG LYS 32 10.202 -1.854 0.101 225 HG3 LYS 32 1HG LYS 32 8.845 -1.507 -0.969 226 HD2 LYS 32 2HD LYS 32 10.698 0.734 -0.607 227 HD3 LYS 32 1HD LYS 32 11.417 -0.683 -1.376 228 HE2 LYS 32 2HE LYS 32 8.870 0.667 -2.272 229 HE3 LYS 32 1HE LYS 32 10.457 0.930 -2.993 230 HZ1 LYS 32 3HZ LYS 32 9.111 -1.715 -2.852 231 HZ2 LYS 32 1HZ LYS 32 10.539 -1.342 -3.683 232 HZ3 LYS 32 2HZ LYS 32 9.061 -0.691 -4.205 233 H ILE 33 H ILE 33 5.898 -0.302 1.361 234 HA ILE 33 HA ILE 33 4.772 -1.565 -0.912 235 HB ILE 33 HB ILE 33 3.404 -0.769 1.666 236 HG12 ILE 33 2HG1 ILE 33 4.664 -3.406 0.889 237 HG13 ILE 33 1HG1 ILE 33 5.416 -2.217 1.950 238 HG21 ILE 33 1HG2 ILE 33 1.813 -1.275 -0.107 239 HG22 ILE 33 2HG2 ILE 33 1.810 -2.555 1.108 240 HG23 ILE 33 3HG2 ILE 33 2.639 -2.800 -0.430 241 HD11 ILE 33 3HD1 ILE 33 2.822 -3.645 2.486 242 HD12 ILE 33 1HD1 ILE 33 3.623 -2.497 3.559 243 HD13 ILE 33 2HD1 ILE 33 4.388 -4.045 3.193 244 H ALA 34 H ALA 34 4.044 1.470 0.778 245 HA ALA 34 HA ALA 34 1.891 2.310 -0.786 246 HB1 ALA 34 3HB ALA 34 2.514 3.378 1.322 247 HB2 ALA 34 1HB ALA 34 2.385 4.558 0.017 248 HB3 ALA 34 2HB ALA 34 3.972 4.021 0.565 249 H THR 35 H THR 35 5.365 2.750 -1.270 250 HA THR 35 HA THR 35 5.238 4.432 -3.514 251 HB THR 35 HB THR 35 7.347 2.349 -2.898 252 HG1 THR 35 1HG THR 35 6.910 3.913 -1.180 253 HG21 THR 35 3HG2 THR 35 8.842 3.824 -4.163 254 HG22 THR 35 1HG2 THR 35 7.490 4.894 -4.521 255 HG23 THR 35 2HG2 THR 35 7.510 3.253 -5.170 256 H ALA 36 H ALA 36 5.023 0.939 -3.171 257 HA ALA 36 HA ALA 36 5.236 0.339 -5.944 258 HB1 ALA 36 3HB ALA 36 3.980 -1.317 -3.760 259 HB2 ALA 36 1HB ALA 36 5.696 -1.306 -4.173 260 HB3 ALA 36 2HB ALA 36 4.513 -1.887 -5.343 261 H LEU 37 H LEU 37 2.454 0.782 -3.755 262 HA LEU 37 HA LEU 37 0.554 0.151 -5.760 263 HG LEU 37 HG LEU 37 1.206 2.066 -2.654 264 HB2 LEU 37 2HB LEU 37 -1.117 1.029 -4.215 265 HB3 LEU 37 1HB LEU 37 -0.038 -0.112 -3.453 266 HD11 LEU 37 1HD1 LEU 37 -1.594 3.067 -3.136 267 HD12 LEU 37 2HD1 LEU 37 -0.126 3.648 -3.919 268 HD13 LEU 37 3HD1 LEU 37 -0.358 3.893 -2.188 269 HD21 LEU 37 3HD2 LEU 37 0.186 0.395 -1.205 270 HD22 LEU 37 1HD2 LEU 37 -1.396 1.133 -1.459 271 HD23 LEU 37 2HD2 LEU 37 -0.128 2.028 -0.618 272 H LEU 38 H LEU 38 2.225 3.087 -4.913 273 HA LEU 38 HA LEU 38 0.597 4.884 -6.387 274 HG LEU 38 HG LEU 38 2.204 5.202 -3.727 275 HB2 LEU 38 2HB LEU 38 3.548 4.972 -5.753 276 HB3 LEU 38 1HB LEU 38 2.672 6.288 -6.505 277 HD11 LEU 38 1HD1 LEU 38 4.262 6.493 -3.955 278 HD12 LEU 38 2HD1 LEU 38 3.061 7.368 -3.005 279 HD13 LEU 38 3HD1 LEU 38 3.355 7.819 -4.685 280 HD21 LEU 38 3HD2 LEU 38 0.117 5.959 -4.739 281 HD22 LEU 38 1HD2 LEU 38 0.874 7.492 -5.175 282 HD23 LEU 38 2HD2 LEU 38 0.644 7.072 -3.478 283 H LYS 39 H LYS 39 3.155 2.675 -7.234 284 HA LYS 39 HA LYS 39 3.395 3.617 -9.950 285 HB2 LYS 39 2HB LYS 39 5.183 2.471 -8.426 286 HB3 LYS 39 1HB LYS 39 4.420 0.979 -8.952 287 HG2 LYS 39 2HG LYS 39 6.327 1.425 -10.334 288 HG3 LYS 39 1HG LYS 39 4.858 1.619 -11.294 289 HD2 LYS 39 2HD LYS 39 4.987 4.008 -11.119 290 HD3 LYS 39 1HD LYS 39 6.329 3.897 -9.977 291 HE2 LYS 39 2HE LYS 39 7.702 2.851 -11.738 292 HE3 LYS 39 1HE LYS 39 6.362 3.042 -12.869 293 HZ1 LYS 39 3HZ LYS 39 8.103 4.804 -12.979 294 HZ2 LYS 39 1HZ LYS 39 7.619 5.314 -11.436 295 HZ3 LYS 39 2HZ LYS 39 6.528 5.385 -12.735 296 H THR 40 H THR 40 1.256 1.724 -8.246 297 HA THR 40 HA THR 40 0.619 -0.069 -10.466 298 HB THR 40 HB THR 40 -0.516 -0.032 -7.658 299 HG1 THR 40 1HG THR 40 1.804 -0.490 -7.844 300 HG21 THR 40 3HG2 THR 40 -1.953 -1.174 -9.273 301 HG22 THR 40 1HG2 THR 40 -1.208 -2.331 -8.168 302 HG23 THR 40 2HG2 THR 40 -0.587 -2.152 -9.809 303 H ALA 41 H ALA 41 -0.990 2.271 -8.307 304 HA ALA 41 HA ALA 41 -3.426 2.060 -9.891 305 HB1 ALA 41 3HB ALA 41 -4.476 3.310 -8.092 306 HB2 ALA 41 1HB ALA 41 -2.904 3.536 -7.322 307 HB3 ALA 41 2HB ALA 41 -3.593 1.919 -7.466 308 H ILE 42 H ILE 42 -0.701 3.960 -10.006 309 HA ILE 42 HA ILE 42 -2.240 6.169 -11.214 310 HB ILE 42 HB ILE 42 0.413 6.426 -9.779 311 HG12 ILE 42 2HG1 ILE 42 -2.334 7.443 -8.999 312 HG13 ILE 42 1HG1 ILE 42 -1.501 6.084 -8.248 313 HG21 ILE 42 1HG2 ILE 42 0.223 7.952 -11.669 314 HG22 ILE 42 2HG2 ILE 42 0.136 8.834 -10.145 315 HG23 ILE 42 3HG2 ILE 42 -1.334 8.524 -11.068 316 HD11 ILE 42 3HD1 ILE 42 0.264 7.591 -7.495 317 HD12 ILE 42 1HD1 ILE 42 -1.319 8.076 -6.889 318 HD13 ILE 42 2HD1 ILE 42 -0.586 8.949 -8.236 319 H GLU 43 H GLU 43 -1.962 6.224 -13.332 320 HA GLU 43 HA GLU 43 0.643 5.428 -14.440 321 HB2 GLU 43 2HB GLU 43 -0.993 3.575 -14.664 322 HB3 GLU 43 1HB GLU 43 -2.049 4.642 -15.575 323 HG2 GLU 43 2HG GLU 43 -0.784 3.132 -17.023 324 HG3 GLU 43 1HG GLU 43 -0.403 4.825 -17.338 325 H ILE 44 H ILE 44 1.085 6.260 -16.572 326 HA ILE 44 HA ILE 44 0.078 8.962 -16.907 327 HB ILE 44 HB ILE 44 2.202 7.415 -18.391 328 HG12 ILE 44 2HG1 ILE 44 2.760 8.073 -16.063 329 HG13 ILE 44 1HG1 ILE 44 3.781 8.868 -17.258 330 HG21 ILE 44 1HG2 ILE 44 1.409 10.301 -18.726 331 HG22 ILE 44 2HG2 ILE 44 1.156 9.006 -19.896 332 HG23 ILE 44 3HG2 ILE 44 2.794 9.517 -19.484 333 HD11 ILE 44 3HD1 ILE 44 3.121 10.407 -15.504 334 HD12 ILE 44 1HD1 ILE 44 1.420 10.095 -15.855 335 HD13 ILE 44 2HD1 ILE 44 2.435 10.890 -17.057 336 H VAL 45 H VAL 45 -1.644 9.375 -18.093 337 HA VAL 45 HA VAL 45 -2.038 7.802 -20.546 338 HB VAL 45 HB VAL 45 -4.454 8.638 -20.401 339 HG11 VAL 45 1HG1 VAL 45 -3.835 6.315 -20.020 340 HG12 VAL 45 2HG1 VAL 45 -5.107 6.805 -18.898 341 HG13 VAL 45 3HG1 VAL 45 -3.439 6.683 -18.341 342 HG21 VAL 45 3HG2 VAL 45 -4.244 10.333 -18.720 343 HG22 VAL 45 1HG2 VAL 45 -3.561 9.176 -17.575 344 HG23 VAL 45 2HG2 VAL 45 -5.243 9.033 -18.070 345 H SER 46 H SER 46 -1.269 8.929 -22.193 346 HA SER 46 HA SER 46 -1.128 11.831 -21.942 347 HG SER 46 HG SER 46 1.728 9.738 -22.394 348 HB2 SER 46 2HB SER 46 0.279 9.992 -23.885 349 HB3 SER 46 1HB SER 46 0.595 11.713 -23.663 350 H GLU 47 H GLU 47 -1.494 13.188 -23.758 351 HA GLU 47 HA GLU 47 -3.682 12.303 -25.476 352 HB2 GLU 47 2HB GLU 47 -2.381 15.025 -25.240 353 HB3 GLU 47 1HB GLU 47 -3.863 14.654 -26.108 354 HG2 GLU 47 2HG GLU 47 -4.977 14.112 -24.034 355 HG3 GLU 47 1HG GLU 47 -3.484 14.390 -23.136 356 H GLU 48 H GLU 48 -3.506 12.205 -27.709 357 HA GLU 48 HA GLU 48 -1.003 11.539 -28.795 358 HB2 GLU 48 2HB GLU 48 -3.089 10.686 -29.728 359 HB3 GLU 48 1HB GLU 48 -3.565 12.312 -30.198 360 HG2 GLU 48 2HG GLU 48 -1.648 12.416 -31.726 361 HG3 GLU 48 1HG GLU 48 -1.223 10.763 -31.281 362 H ASP 49 H ASP 49 -2.906 14.499 -28.929 363 HA ASP 49 HA ASP 49 -0.745 15.812 -30.421 364 HB2 ASP 49 2HB ASP 49 -3.071 16.054 -31.265 365 HB3 ASP 49 1HB ASP 49 -3.504 16.866 -29.763 366 H GLY 50 H GLY 50 -2.462 15.887 -27.374 367 HA2 GLY 50 2HA GLY 50 -1.183 18.308 -26.468 368 HA3 GLY 50 1HA GLY 50 -2.231 17.260 -25.523 369 H GLY 51 H GLY 51 -1.229 16.417 -23.821 370 HA2 GLY 51 2HA GLY 51 1.474 15.365 -24.160 371 HA3 GLY 51 1HA GLY 51 1.226 16.602 -22.936 372 H ALA 52 H ALA 52 2.047 14.874 -21.563 373 HA ALA 52 HA ALA 52 0.436 12.533 -21.132 374 HB1 ALA 52 3HB ALA 52 2.858 12.403 -20.927 375 HB2 ALA 52 1HB ALA 52 2.077 11.987 -19.401 376 HB3 ALA 52 2HB ALA 52 2.820 13.572 -19.606 377 H HIS 53 H HIS 53 -0.747 12.018 -19.293 378 HA HIS 53 HA HIS 53 -1.179 14.156 -17.331 379 HD1 HIS 53 1HD HIS 53 -3.917 15.997 -17.219 380 HD2 HIS 53 2HD HIS 53 -2.567 14.757 -20.956 381 HE1 HIS 53 1HE HIS 53 -3.930 18.045 -18.659 382 HE2 HIS 53 2HE HIS 53 -2.999 17.312 -20.875 383 HB2 HIS 53 2HB HIS 53 -3.305 12.815 -18.983 384 HB3 HIS 53 1HB HIS 53 -3.674 13.491 -17.399 385 H ASN 54 H ASN 54 -1.256 13.440 -15.299 386 HA ASN 54 HA ASN 54 -1.032 10.579 -14.818 387 HB2 ASN 54 2HB ASN 54 -0.900 12.958 -12.949 388 HB3 ASN 54 1HB ASN 54 -0.703 11.290 -12.434 389 HD21 ASN 54 2HD2 ASN 54 2.599 11.025 -13.472 390 HD22 ASN 54 1HD2 ASN 54 1.194 10.223 -12.869 391 H GLN 55 H GLN 55 -2.798 9.366 -14.504 392 HA GLN 55 HA GLN 55 -4.972 10.554 -12.913 393 HB2 GLN 55 2HB GLN 55 -5.225 8.774 -15.334 394 HB3 GLN 55 1HB GLN 55 -6.510 8.913 -14.144 395 HG2 GLN 55 2HG GLN 55 -6.247 11.472 -14.589 396 HG3 GLN 55 1HG GLN 55 -5.501 10.927 -16.091 397 HE21 GLN 55 2HE2 GLN 55 -8.497 9.867 -17.562 398 HE22 GLN 55 1HE2 GLN 55 -6.773 9.853 -17.620 399 H CYS 56 H CYS 56 -5.713 9.363 -11.242 400 HA CYS 56 HA CYS 56 -4.367 6.807 -10.762 401 HG CYS 56 HG CYS 56 -5.705 10.260 -8.282 402 HB2 CYS 56 2HB CYS 56 -5.207 7.078 -8.424 403 HB3 CYS 56 1HB CYS 56 -4.130 8.369 -8.944 404 H LYS 57 H LYS 57 -5.441 4.931 -10.550 405 HA LYS 57 HA LYS 57 -7.995 4.750 -11.835 406 HB2 LYS 57 2HB LYS 57 -6.144 3.092 -12.098 407 HB3 LYS 57 1HB LYS 57 -6.376 2.612 -10.427 408 HG2 LYS 57 2HG LYS 57 -7.525 0.972 -11.527 409 HG3 LYS 57 1HG LYS 57 -8.819 2.123 -11.203 410 HD2 LYS 57 2HD LYS 57 -7.271 2.060 -13.787 411 HD3 LYS 57 1HD LYS 57 -8.761 1.156 -13.536 412 HE2 LYS 57 2HE LYS 57 -9.925 3.274 -13.049 413 HE3 LYS 57 1HE LYS 57 -8.432 4.151 -13.376 414 HZ1 LYS 57 3HZ LYS 57 -8.769 2.592 -15.588 415 HZ2 LYS 57 1HZ LYS 57 -9.166 4.242 -15.471 416 HZ3 LYS 57 2HZ LYS 57 -10.354 3.066 -15.209 417 H LEU 58 H LEU 58 -7.074 5.401 -8.703 418 HA LEU 58 HA LEU 58 -9.151 3.830 -7.418 419 HG LEU 58 HG LEU 58 -8.986 4.416 -4.662 420 HB2 LEU 58 2HB LEU 58 -6.695 4.200 -6.619 421 HB3 LEU 58 1HB LEU 58 -7.326 5.707 -5.977 422 HD11 LEU 58 1HD1 LEU 58 -7.457 2.058 -5.752 423 HD12 LEU 58 2HD1 LEU 58 -9.150 2.448 -6.053 424 HD13 LEU 58 3HD1 LEU 58 -8.627 1.982 -4.433 425 HD21 LEU 58 3HD2 LEU 58 -6.102 3.648 -4.229 426 HD22 LEU 58 1HD2 LEU 58 -7.386 3.542 -3.025 427 HD23 LEU 58 2HD2 LEU 58 -6.885 5.117 -3.647 428 H CYS 59 H CYS 59 -8.228 7.268 -7.720 429 HA CYS 59 HA CYS 59 -10.858 7.943 -6.577 430 HG CYS 59 HG CYS 59 -9.920 7.707 -4.078 431 HB2 CYS 59 2HB CYS 59 -8.281 9.516 -6.461 432 HB3 CYS 59 1HB CYS 59 -9.827 10.057 -5.814 433 H GLY 60 H GLY 60 -9.244 7.914 -9.462 434 HA2 GLY 60 2HA GLY 60 -9.675 8.896 -11.493 435 HA3 GLY 60 1HA GLY 60 -11.197 9.432 -10.799 436 H ALA 61 H ALA 61 -7.912 10.278 -9.785 437 HA ALA 61 HA ALA 61 -8.579 13.100 -10.229 438 HB1 ALA 61 3HB ALA 61 -7.848 12.525 -7.973 439 HB2 ALA 61 1HB ALA 61 -6.684 13.594 -8.756 440 HB3 ALA 61 2HB ALA 61 -6.342 11.869 -8.618 441 H SER 62 H SER 62 -7.595 14.254 -11.766 442 HA SER 62 HA SER 62 -5.347 12.990 -13.175 443 HG SER 62 HG SER 62 -8.002 15.455 -14.682 444 HB2 SER 62 2HB SER 62 -6.275 14.372 -15.164 445 HB3 SER 62 1HB SER 62 -7.107 12.885 -14.706 446 H VAL 63 H VAL 63 -3.622 14.249 -13.761 447 HA VAL 63 HA VAL 63 -3.708 17.128 -13.336 448 HB VAL 63 HB VAL 63 -3.081 16.170 -11.128 449 HG11 VAL 63 1HG1 VAL 63 -0.907 15.103 -10.831 450 HG12 VAL 63 2HG1 VAL 63 -0.667 15.111 -12.578 451 HG13 VAL 63 3HG1 VAL 63 -1.966 14.150 -11.872 452 HG21 VAL 63 3HG2 VAL 63 -1.073 17.532 -10.759 453 HG22 VAL 63 1HG2 VAL 63 -2.284 18.384 -11.719 454 HG23 VAL 63 2HG2 VAL 63 -0.868 17.685 -12.504 455 HA PRO 64 HA PRO 64 -1.040 17.021 -16.943 456 HB2 PRO 64 1HB PRO 64 -1.206 19.265 -17.262 457 HB3 PRO 64 2HB PRO 64 0.320 19.381 -16.384 458 HG2 PRO 64 2HG PRO 64 -0.719 19.920 -14.392 459 HG3 PRO 64 1HG PRO 64 -1.909 20.605 -15.515 460 HD2 PRO 64 2HD PRO 64 -2.623 18.813 -13.662 461 HD3 PRO 64 1HD PRO 64 -3.353 18.803 -15.281 462 H TRP 65 H TRP 65 0.918 16.195 -17.347 463 HA TRP 65 HA TRP 65 2.389 14.978 -15.326 464 HD1 TRP 65 HD TRP 65 1.607 16.497 -19.276 465 HE1 TRP 65 1HE TRP 65 3.076 17.788 -20.950 466 HE3 TRP 65 3HE TRP 65 6.217 15.020 -17.610 467 HZ2 TRP 65 2HZ TRP 65 5.823 18.125 -21.490 468 HZ3 TRP 65 3HZ TRP 65 8.214 15.873 -18.769 469 HH2 TRP 65 HH TRP 65 8.017 17.392 -20.666 470 HB2 TRP 65 2HB TRP 65 3.947 14.327 -17.053 471 HB3 TRP 65 1HB TRP 65 2.313 14.255 -17.703 472 H LEU 66 H LEU 66 2.827 18.146 -16.752 473 HA LEU 66 HA LEU 66 5.589 18.310 -15.947 474 HG LEU 66 HG LEU 66 5.985 21.341 -16.227 475 HB2 LEU 66 2HB LEU 66 4.680 19.314 -18.052 476 HB3 LEU 66 1HB LEU 66 3.837 20.493 -17.066 477 HD11 LEU 66 1HD1 LEU 66 7.201 19.332 -18.118 478 HD12 LEU 66 2HD1 LEU 66 7.294 19.301 -16.357 479 HD13 LEU 66 3HD1 LEU 66 8.082 20.595 -17.258 480 HD21 LEU 66 3HD2 LEU 66 5.029 22.395 -18.183 481 HD22 LEU 66 1HD2 LEU 66 5.798 21.203 -19.233 482 HD23 LEU 66 2HD2 LEU 66 6.785 22.345 -18.321 483 H GLN 67 H GLN 67 2.758 18.644 -14.283 484 HA GLN 67 HA GLN 67 3.462 20.860 -12.623 485 HB2 GLN 67 2HB GLN 67 1.143 20.161 -12.743 486 HB3 GLN 67 1HB GLN 67 1.554 18.554 -12.165 487 HG2 GLN 67 2HG GLN 67 0.512 19.922 -10.434 488 HG3 GLN 67 1HG GLN 67 2.151 19.444 -10.002 489 HE21 GLN 67 2HE2 GLN 67 1.161 23.348 -10.457 490 HE22 GLN 67 1HE2 GLN 67 0.063 22.072 -10.885 491 H THR 68 H THR 68 3.084 17.523 -11.511 492 HA THR 68 HA THR 68 5.792 17.233 -10.665 493 HB THR 68 HB THR 68 3.733 17.546 -8.462 494 HG1 THR 68 1HG THR 68 5.247 19.409 -9.684 495 HG21 THR 68 3HG2 THR 68 6.697 16.983 -8.379 496 HG22 THR 68 1HG2 THR 68 5.396 15.894 -7.893 497 HG23 THR 68 2HG2 THR 68 5.709 17.363 -6.969 498 H GLY 69 H GLY 69 2.481 16.238 -9.811 499 HA2 GLY 69 2HA GLY 69 1.593 14.052 -9.979 500 HA3 GLY 69 1HA GLY 69 3.229 13.437 -10.218 501 H ASP 70 H ASP 70 1.823 12.064 -8.423 502 HA ASP 70 HA ASP 70 1.961 11.209 -6.322 503 HB2 ASP 70 2HB ASP 70 4.323 11.584 -6.331 504 HB3 ASP 70 1HB ASP 70 4.117 13.304 -6.030 505 H GLU 71 H GLU 71 2.227 14.751 -6.059 506 HA GLU 71 HA GLU 71 0.513 14.881 -3.768 507 HB2 GLU 71 2HB GLU 71 1.618 17.002 -5.611 508 HB3 GLU 71 1HB GLU 71 0.640 17.362 -4.195 509 HG2 GLU 71 2HG GLU 71 3.197 15.799 -4.046 510 HG3 GLU 71 1HG GLU 71 3.137 17.558 -3.929 511 H ILE 72 H ILE 72 -1.236 13.604 -4.952 512 HA ILE 72 HA ILE 72 -3.139 15.572 -6.027 513 HB ILE 72 HB ILE 72 -4.154 13.641 -7.368 514 HG12 ILE 72 2HG1 ILE 72 -1.358 12.534 -7.024 515 HG13 ILE 72 1HG1 ILE 72 -2.820 11.835 -6.337 516 HG21 ILE 72 1HG2 ILE 72 -1.497 14.780 -8.207 517 HG22 ILE 72 2HG2 ILE 72 -3.069 15.563 -8.378 518 HG23 ILE 72 3HG2 ILE 72 -2.716 14.090 -9.282 519 HD11 ILE 72 3HD1 ILE 72 -2.231 12.135 -9.273 520 HD12 ILE 72 1HD1 ILE 72 -3.679 11.413 -8.574 521 HD13 ILE 72 2HD1 ILE 72 -2.110 10.646 -8.336 522 H LYS 73 H LYS 73 -4.549 15.840 -4.436 523 HA LYS 73 HA LYS 73 -5.586 13.436 -3.090 524 HB2 LYS 73 2HB LYS 73 -4.251 15.043 -1.665 525 HB3 LYS 73 1HB LYS 73 -5.506 16.236 -1.950 526 HG2 LYS 73 2HG LYS 73 -6.226 13.578 -0.798 527 HG3 LYS 73 1HG LYS 73 -5.509 14.817 0.230 528 HD2 LYS 73 2HD LYS 73 -7.996 15.185 -1.440 529 HD3 LYS 73 1HD LYS 73 -7.984 14.820 0.285 530 HE2 LYS 73 2HE LYS 73 -6.724 16.904 0.686 531 HE3 LYS 73 1HE LYS 73 -6.819 17.266 -1.035 532 HZ1 LYS 73 3HZ LYS 73 -9.142 16.969 0.792 533 HZ2 LYS 73 1HZ LYS 73 -9.224 17.345 -0.862 534 HZ3 LYS 73 2HZ LYS 73 -8.513 18.442 0.219 535 H HIS 74 H HIS 74 -7.428 12.979 -4.124 536 HA HIS 74 HA HIS 74 -9.268 15.185 -4.750 537 HD1 HIS 74 1HD HIS 74 -11.078 11.766 -7.414 538 HD2 HIS 74 2HD HIS 74 -11.088 15.815 -6.442 539 HE1 HIS 74 1HE HIS 74 -13.213 12.688 -8.361 540 HE2 HIS 74 2HE HIS 74 -13.124 15.160 -7.907 541 HB2 HIS 74 2HB HIS 74 -8.522 13.827 -6.677 542 HB3 HIS 74 1HB HIS 74 -9.172 12.386 -5.907 543 H ALA 75 H ALA 75 -8.757 12.796 -2.529 544 HA ALA 75 HA ALA 75 -11.444 12.993 -1.508 545 HB1 ALA 75 3HB ALA 75 -11.688 11.177 -3.127 546 HB2 ALA 75 1HB ALA 75 -11.891 10.594 -1.476 547 HB3 ALA 75 2HB ALA 75 -10.381 10.295 -2.338 548 H ASP 76 H ASP 76 -11.059 13.481 0.527 549 HA ASP 76 HA ASP 76 -8.717 12.657 1.926 550 HB2 ASP 76 2HB ASP 76 -11.261 14.022 2.816 551 HB3 ASP 76 1HB ASP 76 -9.932 13.666 3.906 552 H ASP 77 H ASP 77 -11.774 11.293 1.375 553 HA ASP 77 HA ASP 77 -11.915 9.671 3.735 554 HB2 ASP 77 2HB ASP 77 -13.968 10.300 2.643 555 HB3 ASP 77 1HB ASP 77 -13.429 9.604 1.120 556 H CYS 78 H CYS 78 -10.617 9.313 0.523 557 HA CYS 78 HA CYS 78 -10.500 6.452 0.600 558 HG CYS 78 HG CYS 78 -12.312 7.551 -1.069 559 HB2 CYS 78 2HB CYS 78 -9.248 8.460 -1.280 560 HB3 CYS 78 1HB CYS 78 -9.182 6.715 -1.504 561 HA PRO 79 HA PRO 79 -6.757 5.708 2.706 562 HB2 PRO 79 1HB PRO 79 -7.029 3.473 2.323 563 HB3 PRO 79 2HB PRO 79 -5.645 3.689 1.247 564 HG2 PRO 79 2HG PRO 79 -6.979 3.841 -0.646 565 HG3 PRO 79 1HG PRO 79 -7.933 2.704 0.327 566 HD2 PRO 79 2HD PRO 79 -8.998 4.977 -0.636 567 HD3 PRO 79 1HD PRO 79 -9.466 4.325 0.948 568 H VAL 80 H VAL 80 -6.675 7.129 -0.299 569 HA VAL 80 HA VAL 80 -3.951 7.020 -0.989 570 HB VAL 80 HB VAL 80 -5.925 9.257 -1.496 571 HG11 VAL 80 1HG1 VAL 80 -4.446 9.882 -3.347 572 HG12 VAL 80 2HG1 VAL 80 -3.311 8.622 -2.867 573 HG13 VAL 80 3HG1 VAL 80 -3.612 9.990 -1.797 574 HG21 VAL 80 3HG2 VAL 80 -6.247 8.202 -3.675 575 HG22 VAL 80 1HG2 VAL 80 -6.691 7.110 -2.364 576 HG23 VAL 80 2HG2 VAL 80 -5.157 6.895 -3.207 577 H VAL 81 H VAL 81 -5.777 9.166 1.151 578 HA VAL 81 HA VAL 81 -3.614 10.940 1.663 579 HB VAL 81 HB VAL 81 -6.105 10.462 3.309 580 HG11 VAL 81 1HG1 VAL 81 -4.162 12.770 3.323 581 HG12 VAL 81 2HG1 VAL 81 -4.377 11.580 4.608 582 HG13 VAL 81 3HG1 VAL 81 -5.680 12.702 4.219 583 HG21 VAL 81 3HG2 VAL 81 -6.693 11.134 1.076 584 HG22 VAL 81 1HG2 VAL 81 -5.509 12.441 1.118 585 HG23 VAL 81 2HG2 VAL 81 -6.927 12.505 2.161 586 H ILE 82 H ILE 82 -4.904 8.112 3.384 587 HA ILE 82 HA ILE 82 -3.194 8.409 5.623 588 HB ILE 82 HB ILE 82 -5.333 7.033 5.533 589 HG12 ILE 82 2HG1 ILE 82 -4.460 5.346 7.156 590 HG13 ILE 82 1HG1 ILE 82 -2.829 5.826 6.708 591 HG21 ILE 82 1HG2 ILE 82 -5.149 4.675 4.939 592 HG22 ILE 82 2HG2 ILE 82 -3.508 4.950 4.357 593 HG23 ILE 82 3HG2 ILE 82 -4.871 5.717 3.543 594 HD11 ILE 82 3HD1 ILE 82 -3.264 8.081 7.524 595 HD12 ILE 82 1HD1 ILE 82 -3.514 6.872 8.783 596 HD13 ILE 82 2HD1 ILE 82 -4.900 7.604 7.972 597 H ALA 83 H ALA 83 -2.921 6.644 2.590 598 HA ALA 83 HA ALA 83 -0.436 5.388 3.162 599 HB1 ALA 83 3HB ALA 83 -0.311 4.939 0.792 600 HB2 ALA 83 1HB ALA 83 -1.548 6.154 0.463 601 HB3 ALA 83 2HB ALA 83 -1.968 4.685 1.340 602 H LYS 84 H LYS 84 -1.383 8.457 1.751 603 HA LYS 84 HA LYS 84 1.115 9.344 0.855 604 HB2 LYS 84 2HB LYS 84 -1.253 10.368 0.527 605 HB3 LYS 84 1HB LYS 84 -0.925 11.210 2.034 606 HG2 LYS 84 2HG LYS 84 -0.374 12.660 0.225 607 HG3 LYS 84 1HG LYS 84 1.133 12.144 0.991 608 HD2 LYS 84 2HD LYS 84 1.551 10.558 -0.741 609 HD3 LYS 84 1HD LYS 84 -0.050 10.817 -1.435 610 HE2 LYS 84 2HE LYS 84 1.454 12.011 -2.805 611 HE3 LYS 84 1HE LYS 84 0.647 13.219 -1.809 612 HZ1 LYS 84 3HZ LYS 84 3.413 12.547 -1.969 613 HZ2 LYS 84 1HZ LYS 84 2.857 12.521 -0.365 614 HZ3 LYS 84 2HZ LYS 84 2.673 13.921 -1.306 615 H GLN 85 H GLN 85 -0.471 9.614 3.994 616 HA GLN 85 HA GLN 85 1.357 11.208 5.330 617 HB2 GLN 85 2HB GLN 85 -0.374 8.938 6.292 618 HB3 GLN 85 1HB GLN 85 0.554 9.954 7.371 619 HG2 GLN 85 2HG GLN 85 -0.684 11.911 6.616 620 HG3 GLN 85 1HG GLN 85 -1.609 10.894 5.512 621 HE21 GLN 85 2HE2 GLN 85 -2.248 9.848 9.381 622 HE22 GLN 85 1HE2 GLN 85 -0.654 9.865 8.709 623 H ILE 86 H ILE 86 1.438 7.764 4.640 624 HA ILE 86 HA ILE 86 3.664 7.226 6.345 625 HB ILE 86 HB ILE 86 2.681 5.495 4.079 626 HG12 ILE 86 2HG1 ILE 86 0.771 6.025 5.488 627 HG13 ILE 86 1HG1 ILE 86 1.260 4.357 5.756 628 HG21 ILE 86 1HG2 ILE 86 4.831 4.849 5.016 629 HG22 ILE 86 2HG2 ILE 86 3.588 3.664 5.418 630 HG23 ILE 86 3HG2 ILE 86 4.129 4.822 6.634 631 HD11 ILE 86 3HD1 ILE 86 1.892 6.683 7.552 632 HD12 ILE 86 1HD1 ILE 86 2.371 5.007 7.825 633 HD13 ILE 86 2HD1 ILE 86 0.663 5.451 7.836 634 H LEU 87 H LEU 87 3.249 7.449 2.826 635 HA LEU 87 HA LEU 87 5.997 6.953 2.297 636 HG LEU 87 HG LEU 87 2.917 8.564 1.155 637 HB2 LEU 87 2HB LEU 87 5.454 7.579 -0.026 638 HB3 LEU 87 1HB LEU 87 4.366 6.379 0.641 639 HD11 LEU 87 1HD1 LEU 87 4.557 10.106 0.235 640 HD12 LEU 87 2HD1 LEU 87 3.065 10.128 -0.706 641 HD13 LEU 87 3HD1 LEU 87 4.480 9.271 -1.317 642 HD21 LEU 87 3HD2 LEU 87 3.060 7.139 -1.493 643 HD22 LEU 87 1HD2 LEU 87 1.700 8.104 -0.920 644 HD23 LEU 87 2HD2 LEU 87 2.150 6.623 -0.071 645 H SER 88 H SER 88 4.185 9.810 3.013 646 HA SER 88 HA SER 88 6.537 11.459 2.444 647 HG SER 88 HG SER 88 5.122 12.124 0.699 648 HB2 SER 88 2HB SER 88 3.702 12.267 3.151 649 HB3 SER 88 1HB SER 88 5.018 13.370 2.778 650 H SER 89 H SER 89 7.556 10.312 4.243 651 HA SER 89 HA SER 89 6.464 10.338 6.855 652 HG SER 89 HG SER 89 7.135 8.345 5.652 653 HB2 SER 89 2HB SER 89 9.365 9.956 6.096 654 HB3 SER 89 1HB SER 89 8.543 9.341 7.530 655 H ARG 90 H ARG 90 8.617 12.476 5.114 656 HA ARG 90 HA ARG 90 9.838 14.310 5.676 657 HE ARG 90 HE ARG 90 4.879 16.278 4.881 658 HB2 ARG 90 2HB ARG 90 7.638 14.741 7.708 659 HB3 ARG 90 1HB ARG 90 8.785 15.953 7.161 660 HG2 ARG 90 2HG ARG 90 7.841 15.633 4.846 661 HG3 ARG 90 1HG ARG 90 6.565 14.669 5.596 662 HD2 ARG 90 2HD ARG 90 6.113 16.635 7.100 663 HD3 ARG 90 1HD ARG 90 7.223 17.567 6.097 664 HH11 ARG 90 1HH1 ARG 90 6.679 19.177 5.693 665 HH12 ARG 90 2HH1 ARG 90 5.621 20.227 4.804 666 HH21 ARG 90 2HH2 ARG 90 3.830 19.382 3.677 667 HH22 ARG 90 1HH2 ARG 90 3.500 17.674 3.688 668 HA PRO 91 HA PRO 91 11.796 12.285 9.311 669 HB2 PRO 91 1HB PRO 91 12.832 10.811 7.851 670 HB3 PRO 91 2HB PRO 91 14.207 11.859 8.226 671 HG2 PRO 91 2HG PRO 91 14.013 13.034 6.237 672 HG3 PRO 91 1HG PRO 91 13.424 11.451 5.700 673 HD2 PRO 91 2HD PRO 91 11.984 13.798 5.523 674 HD3 PRO 91 1HD PRO 91 11.266 12.174 5.561 675 H LYS 92 H LYS 92 14.300 12.798 10.048 676 HA LYS 92 HA LYS 92 14.289 15.572 10.713 677 HB2 LYS 92 2HB LYS 92 15.170 13.746 12.190 678 HB3 LYS 92 1HB LYS 92 16.539 13.591 11.100 679 HG2 LYS 92 2HG LYS 92 17.209 15.879 11.581 680 HG3 LYS 92 1HG LYS 92 15.812 16.077 12.640 681 HD2 LYS 92 2HD LYS 92 18.058 14.098 13.034 682 HD3 LYS 92 1HD LYS 92 17.860 15.617 13.908 683 HE2 LYS 92 2HE LYS 92 15.900 13.322 13.934 684 HE3 LYS 92 1HE LYS 92 17.076 13.668 15.201 685 HZ1 LYS 92 3HZ LYS 92 15.994 15.797 15.578 686 HZ2 LYS 92 1HZ LYS 92 14.888 14.524 15.762 687 HZ3 LYS 92 2HZ LYS 92 14.862 15.470 14.354 688 H LEU 93 H LEU 93 14.277 16.488 8.634 689 HA LEU 93 HA LEU 93 16.961 16.961 7.586 690 HG LEU 93 HG LEU 93 17.459 16.933 5.162 691 HB2 LEU 93 2HB LEU 93 15.849 15.147 6.230 692 HB3 LEU 93 1HB LEU 93 14.601 16.299 5.808 693 HD11 LEU 93 1HD1 LEU 93 15.626 15.179 3.533 694 HD12 LEU 93 2HD1 LEU 93 17.106 14.663 4.340 695 HD13 LEU 93 3HD1 LEU 93 17.184 15.814 3.004 696 HD21 LEU 93 3HD2 LEU 93 16.420 18.127 3.303 697 HD22 LEU 93 1HD2 LEU 93 15.741 18.654 4.843 698 HD23 LEU 93 2HD2 LEU 93 14.833 17.551 3.809 699 H HIS 94 H HIS 94 17.216 19.079 6.878 700 HA HIS 94 HA HIS 94 15.444 20.925 8.076 701 HD1 HIS 94 1HD HIS 94 17.192 23.867 5.338 702 HD2 HIS 94 2HD HIS 94 16.392 23.317 9.387 703 HE1 HIS 94 1HE HIS 94 16.634 26.149 6.242 704 HE2 HIS 94 2HE HIS 94 16.002 25.771 8.652 705 HB2 HIS 94 2HB HIS 94 17.891 21.305 7.786 706 HB3 HIS 94 1HB HIS 94 17.615 21.532 6.062 707 H ALA 95 H ALA 95 13.462 21.182 7.347 708 HA ALA 95 HA ALA 95 13.111 22.212 4.644 709 HB1 ALA 95 3HB ALA 95 12.693 19.799 4.442 710 HB2 ALA 95 1HB ALA 95 11.224 20.740 4.176 711 HB3 ALA 95 2HB ALA 95 11.475 19.911 5.712 712 H VAL 96 H VAL 96 11.603 23.808 4.571 713 HA VAL 96 HA VAL 96 10.461 24.598 7.136 714 HB VAL 96 HB VAL 96 10.516 26.127 4.530 715 HG11 VAL 96 1HG1 VAL 96 9.882 27.022 7.337 716 HG12 VAL 96 2HG1 VAL 96 8.742 26.877 5.999 717 HG13 VAL 96 3HG1 VAL 96 10.029 28.080 5.933 718 HG21 VAL 96 3HG2 VAL 96 12.346 27.415 5.537 719 HG22 VAL 96 1HG2 VAL 96 12.775 25.719 5.323 720 HG23 VAL 96 2HG2 VAL 96 12.344 26.324 6.922 721 HA MET 1 HA MET 1 -16.607 -16.232 -8.756 722 H1 MET 1 1H MET 1 -14.288 -16.446 -9.188 723 H2 MET 1 2H MET 1 -15.142 -17.476 -10.233 724 H3 MET 1 3H MET 1 -14.327 -18.113 -8.891 725 HB2 MET 1 2HB MET 1 -17.896 -18.184 -7.935 726 HB3 MET 1 1HB MET 1 -17.373 -18.364 -9.603 727 HG2 MET 1 2HG MET 1 -15.491 -19.766 -8.804 728 HG3 MET 1 1HG MET 1 -16.168 -19.671 -7.177 729 HE1 MET 1 3HE MET 1 -16.938 -23.358 -8.341 730 HE2 MET 1 1HE MET 1 -16.132 -22.355 -7.136 731 HE3 MET 1 2HE MET 1 -15.526 -22.400 -8.790 732 H GLY 2 H GLY 2 -17.213 -15.610 -6.727 733 HA2 GLY 2 2HA GLY 2 -16.981 -16.224 -4.271 734 HA3 GLY 2 1HA GLY 2 -15.254 -16.224 -4.598 735 H SER 3 H SER 3 -17.756 -13.995 -5.750 736 HA SER 3 HA SER 3 -16.072 -11.769 -5.009 737 HG SER 3 HG SER 3 -19.305 -11.815 -7.464 738 HB2 SER 3 2HB SER 3 -17.910 -10.430 -6.128 739 HB3 SER 3 1HB SER 3 -17.098 -11.609 -7.156 740 H SER 4 H SER 4 -16.206 -12.064 -2.692 741 HA SER 4 HA SER 4 -18.710 -11.667 -1.346 742 HG SER 4 HG SER 4 -17.468 -13.675 -0.922 743 HB2 SER 4 2HB SER 4 -15.920 -11.439 -0.201 744 HB3 SER 4 1HB SER 4 -17.414 -11.767 0.680 745 H HIS 5 H HIS 5 -19.697 -9.741 -1.427 746 HA HIS 5 HA HIS 5 -18.048 -7.337 -0.993 747 HD1 HIS 5 1HD HIS 5 -19.761 -8.121 -5.218 748 HD2 HIS 5 2HD HIS 5 -16.519 -6.711 -3.018 749 HE1 HIS 5 1HE HIS 5 -17.776 -8.245 -6.767 750 HE2 HIS 5 2HE HIS 5 -15.803 -7.532 -5.368 751 HB2 HIS 5 2HB HIS 5 -20.384 -7.593 -2.901 752 HB3 HIS 5 1HB HIS 5 -19.592 -6.080 -2.486 753 H HIS 6 H HIS 6 -18.575 -6.684 1.003 754 HA HIS 6 HA HIS 6 -21.439 -6.242 1.495 755 HD1 HIS 6 1HD HIS 6 -19.744 -5.284 5.445 756 HD2 HIS 6 2HD HIS 6 -17.561 -7.960 3.125 757 HE1 HIS 6 1HE HIS 6 -17.427 -5.290 6.413 758 HE2 HIS 6 2HE HIS 6 -16.229 -7.137 5.186 759 HB2 HIS 6 2HB HIS 6 -21.175 -6.583 3.849 760 HB3 HIS 6 1HB HIS 6 -20.450 -7.967 3.048 761 H HIS 7 H HIS 7 -21.982 -4.258 2.523 762 HA HIS 7 HA HIS 7 -20.232 -2.179 1.532 763 HD1 HIS 7 1HD HIS 7 -22.120 -0.346 -0.363 764 HD2 HIS 7 2HD HIS 7 -24.003 -3.822 0.926 765 HE1 HIS 7 1HE HIS 7 -23.353 -1.233 -2.367 766 HE2 HIS 7 2HE HIS 7 -24.541 -3.304 -1.553 767 HB2 HIS 7 2HB HIS 7 -22.954 -2.026 2.841 768 HB3 HIS 7 1HB HIS 7 -22.087 -0.646 2.174 769 H HIS 8 H HIS 8 -19.975 -0.162 2.899 770 HA HIS 8 HA HIS 8 -19.751 -0.600 5.739 771 HD1 HIS 8 1HD HIS 8 -17.409 -1.661 2.381 772 HD2 HIS 8 2HD HIS 8 -15.834 1.640 4.349 773 HE1 HIS 8 1HE HIS 8 -15.830 -0.594 0.746 774 HE2 HIS 8 2HE HIS 8 -15.023 1.502 1.896 775 HB2 HIS 8 2HB HIS 8 -17.314 -0.120 5.836 776 HB3 HIS 8 1HB HIS 8 -17.678 -1.647 5.050 777 H HIS 9 H HIS 9 -20.753 1.179 6.396 778 HA HIS 9 HA HIS 9 -20.133 3.699 5.004 779 HD1 HIS 9 1HD HIS 9 -24.137 5.076 6.828 780 HD2 HIS 9 2HD HIS 9 -21.195 5.592 3.937 781 HE1 HIS 9 1HE HIS 9 -24.421 7.430 5.984 782 HE2 HIS 9 2HE HIS 9 -22.509 7.775 4.371 783 HB2 HIS 9 2HB HIS 9 -22.513 2.805 4.994 784 HB3 HIS 9 1HB HIS 9 -22.556 3.145 6.720 785 H HIS 10 H HIS 10 -18.931 2.216 7.487 786 HA HIS 10 HA HIS 10 -18.851 4.638 9.155 787 HD1 HIS 10 1HD HIS 10 -21.323 1.269 10.514 788 HD2 HIS 10 2HD HIS 10 -20.371 5.252 11.258 789 HE1 HIS 10 1HE HIS 10 -23.442 2.332 11.366 790 HE2 HIS 10 2HE HIS 10 -22.879 4.775 11.665 791 HB2 HIS 10 2HB HIS 10 -18.963 1.757 10.017 792 HB3 HIS 10 1HB HIS 10 -18.309 3.005 11.070 793 H SER 11 H SER 11 -16.972 5.587 8.909 794 HA SER 11 HA SER 11 -14.527 4.035 9.237 795 HG SER 11 HG SER 11 -12.902 5.353 6.318 796 HB2 SER 11 2HB SER 11 -14.983 4.083 6.772 797 HB3 SER 11 1HB SER 11 -14.929 5.843 6.835 798 H SER 12 H SER 12 -13.361 5.098 10.716 799 HA SER 12 HA SER 12 -13.266 8.006 10.671 800 HG SER 12 HG SER 12 -14.322 8.514 14.058 801 HB2 SER 12 2HB SER 12 -15.199 7.409 12.131 802 HB3 SER 12 1HB SER 12 -14.099 6.501 13.165 803 H GLY 13 H GLY 13 -11.108 7.580 10.033 804 HA2 GLY 13 2HA GLY 13 -9.375 6.747 12.276 805 HA3 GLY 13 1HA GLY 13 -9.007 6.353 10.602 806 H ARG 14 H ARG 14 -10.001 9.285 12.341 807 HA ARG 14 HA ARG 14 -8.419 10.957 10.650 808 HE ARG 14 HE ARG 14 -6.995 13.039 10.641 809 HB2 ARG 14 2HB ARG 14 -10.534 11.725 11.597 810 HB3 ARG 14 1HB ARG 14 -9.891 11.551 13.221 811 HG2 ARG 14 2HG ARG 14 -9.879 13.862 12.658 812 HG3 ARG 14 1HG ARG 14 -8.207 13.304 12.676 813 HD2 ARG 14 2HD ARG 14 -9.849 13.482 10.161 814 HD3 ARG 14 1HD ARG 14 -8.877 14.823 10.760 815 HH11 ARG 14 1HH1 ARG 14 -9.668 13.375 8.397 816 HH12 ARG 14 2HH1 ARG 14 -8.751 12.782 7.034 817 HH21 ARG 14 2HH2 ARG 14 -6.574 12.170 7.282 818 HH22 ARG 14 1HH2 ARG 14 -5.804 12.261 8.833 819 H GLU 15 H GLU 15 -7.911 9.374 13.678 820 HA GLU 15 HA GLU 15 -5.668 11.132 14.318 821 HB2 GLU 15 2HB GLU 15 -7.455 10.713 16.007 822 HB3 GLU 15 1HB GLU 15 -6.962 9.027 16.041 823 HG2 GLU 15 2HG GLU 15 -4.941 9.506 17.077 824 HG3 GLU 15 1HG GLU 15 -4.998 11.208 16.615 825 H ASN 16 H ASN 16 -3.904 10.495 13.316 826 HA ASN 16 HA ASN 16 -2.833 7.836 13.876 827 HB2 ASN 16 2HB ASN 16 -3.955 7.679 11.660 828 HB3 ASN 16 1HB ASN 16 -2.967 9.012 11.081 829 HD21 ASN 16 2HD2 ASN 16 -1.632 5.578 10.170 830 HD22 ASN 16 1HD2 ASN 16 -3.223 6.246 10.153 831 H LEU 17 H LEU 17 -0.859 8.186 14.734 832 HA LEU 17 HA LEU 17 0.667 10.495 13.757 833 HG LEU 17 HG LEU 17 -0.506 12.148 15.076 834 HB2 LEU 17 2HB LEU 17 0.255 9.713 16.643 835 HB3 LEU 17 1HB LEU 17 1.501 10.826 16.115 836 HD11 LEU 17 1HD1 LEU 17 -1.887 10.565 17.237 837 HD12 LEU 17 2HD1 LEU 17 -2.209 10.464 15.505 838 HD13 LEU 17 3HD1 LEU 17 -2.558 11.954 16.381 839 HD21 LEU 17 3HD2 LEU 17 -0.003 12.083 18.046 840 HD22 LEU 17 1HD2 LEU 17 -0.709 13.419 17.138 841 HD23 LEU 17 2HD2 LEU 17 0.967 12.947 16.855 842 H TYR 18 H TYR 18 1.469 8.486 12.526 843 HA TYR 18 HA TYR 18 3.379 7.441 11.914 844 HD1 TYR 18 1HD TYR 18 5.812 8.435 10.961 845 HD2 TYR 18 2HD TYR 18 6.300 7.304 15.033 846 HE1 TYR 18 1HE TYR 18 8.037 7.529 10.436 847 HE2 TYR 18 2HE TYR 18 8.525 6.395 14.519 848 HH TYR 18 HH TYR 18 9.782 5.559 12.598 849 HB2 TYR 18 2HB TYR 18 4.446 9.447 12.826 850 HB3 TYR 18 1HB TYR 18 4.496 8.703 14.414 851 H PHE 19 H PHE 19 4.375 5.475 12.124 852 HA PHE 19 HA PHE 19 3.283 3.655 14.015 853 HD1 PHE 19 1HD PHE 19 2.062 2.109 12.654 854 HD2 PHE 19 2HD PHE 19 4.969 3.501 9.884 855 HE1 PHE 19 1HE PHE 19 0.431 1.867 10.826 856 HE2 PHE 19 2HE PHE 19 3.351 3.265 8.052 857 HZ PHE 19 HZ PHE 19 1.075 2.448 8.520 858 HB2 PHE 19 2HB PHE 19 5.561 3.269 12.066 859 HB3 PHE 19 1HB PHE 19 4.753 1.986 12.955 860 H GLN 20 H GLN 20 3.945 4.631 16.006 861 HA GLN 20 HA GLN 20 6.349 3.318 16.958 862 HB2 GLN 20 2HB GLN 20 6.648 5.936 16.273 863 HB3 GLN 20 1HB GLN 20 6.119 6.104 17.940 864 HG2 GLN 20 2HG GLN 20 8.498 4.533 16.971 865 HG3 GLN 20 1HG GLN 20 8.534 6.087 17.800 866 HE21 GLN 20 2HE2 GLN 20 8.089 2.623 19.855 867 HE22 GLN 20 1HE2 GLN 20 8.039 2.667 18.130 868 H GLY 21 H GLY 21 4.079 5.828 18.088 869 HA2 GLY 21 2HA GLY 21 3.249 4.052 20.275 870 HA3 GLY 21 1HA GLY 21 2.873 5.768 20.136 871 H MET 22 H MET 22 2.622 3.456 17.569 872 HA MET 22 HA MET 22 -0.017 4.330 16.898 873 HB2 MET 22 2HB MET 22 1.803 3.775 15.258 874 HB3 MET 22 1HB MET 22 1.634 2.091 15.720 875 HG2 MET 22 2HG MET 22 0.493 2.440 13.676 876 HG3 MET 22 1HG MET 22 -0.705 2.163 14.939 877 HE1 MET 22 3HE MET 22 -1.899 4.813 12.074 878 HE2 MET 22 1HE MET 22 -2.029 3.123 12.563 879 HE3 MET 22 2HE MET 22 -0.526 3.726 11.862 880 H THR 23 H THR 23 1.333 1.121 17.585 881 HA THR 23 HA THR 23 0.566 -0.527 18.930 882 HB THR 23 HB THR 23 -1.210 1.722 19.828 883 HG1 THR 23 1HG THR 23 0.320 1.989 21.280 884 HG21 THR 23 3HG2 THR 23 -1.905 0.348 21.712 885 HG22 THR 23 1HG2 THR 23 -1.095 -1.048 21.001 886 HG23 THR 23 2HG2 THR 23 -2.470 -0.308 20.178 887 H ASP 24 H ASP 24 -2.534 1.091 18.064 888 HA ASP 24 HA ASP 24 -3.538 -1.607 17.422 889 HB2 ASP 24 2HB ASP 24 -4.551 -0.460 19.380 890 HB3 ASP 24 1HB ASP 24 -5.098 0.826 18.313 891 H THR 25 H THR 25 -3.745 1.785 16.424 892 HA THR 25 HA THR 25 -5.657 1.543 14.436 893 HB THR 25 HB THR 25 -3.337 3.474 14.358 894 HG1 THR 25 1HG THR 25 -4.738 4.791 15.666 895 HG21 THR 25 3HG2 THR 25 -4.781 3.478 12.367 896 HG22 THR 25 1HG2 THR 25 -4.952 4.971 13.293 897 HG23 THR 25 2HG2 THR 25 -6.194 3.721 13.395 898 H ALA 26 H ALA 26 -2.263 0.765 14.309 899 HA ALA 26 HA ALA 26 -1.715 1.037 11.599 900 HB1 ALA 26 3HB ALA 26 -0.015 0.668 13.326 901 HB2 ALA 26 1HB ALA 26 0.161 -0.448 11.972 902 HB3 ALA 26 2HB ALA 26 -0.552 -1.003 13.486 903 H ALA 27 H ALA 27 -3.464 -1.500 13.234 904 HA ALA 27 HA ALA 27 -3.211 -3.388 11.097 905 HB1 ALA 27 3HB ALA 27 -5.165 -3.331 13.393 906 HB2 ALA 27 1HB ALA 27 -3.592 -4.128 13.395 907 HB3 ALA 27 2HB ALA 27 -4.869 -4.701 12.322 908 H GLU 28 H GLU 28 -5.313 -0.763 11.842 909 HA GLU 28 HA GLU 28 -7.434 -1.693 10.092 910 HB2 GLU 28 2HB GLU 28 -7.673 -0.442 12.357 911 HB3 GLU 28 1HB GLU 28 -7.325 1.001 11.420 912 HG2 GLU 28 2HG GLU 28 -9.530 -0.864 10.637 913 HG3 GLU 28 1HG GLU 28 -9.767 0.382 11.858 914 H ASP 29 H ASP 29 -5.053 0.958 10.207 915 HA ASP 29 HA ASP 29 -6.195 2.188 7.859 916 HB2 ASP 29 2HB ASP 29 -4.549 3.922 8.125 917 HB3 ASP 29 1HB ASP 29 -5.195 3.526 9.712 918 H VAL 30 H VAL 30 -3.233 0.385 8.585 919 HA VAL 30 HA VAL 30 -2.149 0.535 5.982 920 HB VAL 30 HB VAL 30 -1.736 -1.568 8.115 921 HG11 VAL 30 1HG1 VAL 30 0.315 -2.149 6.915 922 HG12 VAL 30 2HG1 VAL 30 -0.102 -1.001 5.642 923 HG13 VAL 30 3HG1 VAL 30 -1.109 -2.424 5.910 924 HG21 VAL 30 3HG2 VAL 30 -1.097 0.665 8.835 925 HG22 VAL 30 1HG2 VAL 30 -0.122 0.870 7.379 926 HG23 VAL 30 2HG2 VAL 30 0.332 -0.336 8.583 927 H ARG 31 H ARG 31 -4.578 -1.546 7.419 928 HA ARG 31 HA ARG 31 -4.563 -3.480 5.332 929 HE ARG 31 HE ARG 31 -8.276 -6.647 5.486 930 HB2 ARG 31 2HB ARG 31 -5.538 -3.903 7.586 931 HB3 ARG 31 1HB ARG 31 -6.852 -2.803 7.187 932 HG2 ARG 31 2HG ARG 31 -7.566 -4.230 5.386 933 HG3 ARG 31 1HG ARG 31 -6.182 -5.290 5.638 934 HD2 ARG 31 2HD ARG 31 -7.035 -5.802 7.901 935 HD3 ARG 31 1HD ARG 31 -8.461 -4.821 7.554 936 HH11 ARG 31 1HH1 ARG 31 -8.649 -6.802 8.968 937 HH12 ARG 31 2HH1 ARG 31 -9.550 -8.282 8.933 938 HH21 ARG 31 2HH2 ARG 31 -9.983 -9.329 6.932 939 HH22 ARG 31 1HH2 ARG 31 -9.461 -8.599 5.437 940 H LYS 32 H LYS 32 -6.119 -0.380 5.777 941 HA LYS 32 HA LYS 32 -8.110 -0.533 3.838 942 HB2 LYS 32 2HB LYS 32 -6.511 1.722 4.966 943 HB3 LYS 32 1HB LYS 32 -7.524 2.023 3.565 944 HG2 LYS 32 2HG LYS 32 -9.408 0.960 4.971 945 HG3 LYS 32 1HG LYS 32 -8.330 1.246 6.340 946 HD2 LYS 32 2HD LYS 32 -8.265 3.605 5.873 947 HD3 LYS 32 1HD LYS 32 -9.164 3.376 4.375 948 HE2 LYS 32 2HE LYS 32 -10.726 4.199 5.933 949 HE3 LYS 32 1HE LYS 32 -11.052 2.472 5.807 950 HZ1 LYS 32 3HZ LYS 32 -11.051 3.317 8.102 951 HZ2 LYS 32 1HZ LYS 32 -9.414 3.719 7.945 952 HZ3 LYS 32 2HZ LYS 32 -9.903 2.095 7.861 953 H ILE 33 H ILE 33 -4.719 0.512 3.448 954 HA ILE 33 HA ILE 33 -5.021 1.003 0.659 955 HB ILE 33 HB ILE 33 -2.573 1.200 0.581 956 HG12 ILE 33 2HG1 ILE 33 -2.670 0.446 3.509 957 HG13 ILE 33 1HG1 ILE 33 -2.021 -0.561 2.221 958 HG21 ILE 33 1HG2 ILE 33 -3.899 2.600 2.893 959 HG22 ILE 33 2HG2 ILE 33 -3.877 3.126 1.209 960 HG23 ILE 33 3HG2 ILE 33 -2.382 3.098 2.146 961 HD11 ILE 33 3HD1 ILE 33 -0.244 0.531 3.447 962 HD12 ILE 33 1HD1 ILE 33 -0.946 2.110 3.098 963 HD13 ILE 33 2HD1 ILE 33 -0.298 1.125 1.787 964 H ALA 34 H ALA 34 -4.020 -1.761 2.550 965 HA ALA 34 HA ALA 34 -2.952 -3.273 0.402 966 HB1 ALA 34 3HB ALA 34 -4.071 -4.214 3.037 967 HB2 ALA 34 1HB ALA 34 -2.401 -3.737 2.730 968 HB3 ALA 34 2HB ALA 34 -3.069 -5.163 1.937 969 H THR 35 H THR 35 -6.176 -2.855 1.701 970 HA THR 35 HA THR 35 -7.317 -5.084 0.343 971 HB THR 35 HB THR 35 -8.707 -2.650 1.489 972 HG1 THR 35 1HG THR 35 -7.631 -3.706 3.135 973 HG21 THR 35 3HG2 THR 35 -10.675 -4.133 1.615 974 HG22 THR 35 1HG2 THR 35 -9.767 -5.388 0.772 975 HG23 THR 35 2HG2 THR 35 -10.150 -3.874 -0.048 976 H ALA 36 H ALA 36 -6.756 -1.736 -0.478 977 HA ALA 36 HA ALA 36 -8.475 -1.519 -2.686 978 HB1 ALA 36 3HB ALA 36 -7.323 0.396 -1.687 979 HB2 ALA 36 1HB ALA 36 -7.032 0.302 -3.423 980 HB3 ALA 36 2HB ALA 36 -5.783 -0.214 -2.290 981 H LEU 37 H LEU 37 -5.448 -3.139 -2.258 982 HA LEU 37 HA LEU 37 -4.759 -3.452 -5.002 983 HG LEU 37 HG LEU 37 -3.543 -3.030 -1.927 984 HB2 LEU 37 2HB LEU 37 -3.961 -5.296 -2.766 985 HB3 LEU 37 1HB LEU 37 -3.072 -4.925 -4.227 986 HD11 LEU 37 1HD1 LEU 37 -1.053 -4.487 -2.818 987 HD12 LEU 37 2HD1 LEU 37 -1.978 -4.795 -1.348 988 HD13 LEU 37 3HD1 LEU 37 -1.130 -3.261 -1.551 989 HD21 LEU 37 3HD2 LEU 37 -3.420 -1.851 -4.052 990 HD22 LEU 37 1HD2 LEU 37 -1.922 -2.691 -4.449 991 HD23 LEU 37 2HD2 LEU 37 -1.966 -1.563 -3.095 992 H LEU 38 H LEU 38 -6.858 -5.092 -2.796 993 HA LEU 38 HA LEU 38 -7.124 -7.493 -4.365 994 HG LEU 38 HG LEU 38 -6.468 -6.966 -1.387 995 HB2 LEU 38 2HB LEU 38 -8.801 -6.434 -2.086 996 HB3 LEU 38 1HB LEU 38 -8.927 -8.041 -2.775 997 HD11 LEU 38 1HD1 LEU 38 -8.607 -8.837 -0.382 998 HD12 LEU 38 2HD1 LEU 38 -8.315 -7.190 0.179 999 HD13 LEU 38 3HD1 LEU 38 -7.105 -8.443 0.456 1000 HD21 LEU 38 3HD2 LEU 38 -5.751 -9.301 -1.403 1001 HD22 LEU 38 1HD2 LEU 38 -5.987 -8.692 -3.041 1002 HD23 LEU 38 2HD2 LEU 38 -7.198 -9.744 -2.307 1003 H LYS 39 H LYS 39 -8.763 -4.424 -4.047 1004 HA LYS 39 HA LYS 39 -11.170 -5.244 -5.312 1005 HB2 LYS 39 2HB LYS 39 -11.256 -3.483 -3.720 1006 HB3 LYS 39 1HB LYS 39 -10.003 -2.578 -4.557 1007 HG2 LYS 39 2HG LYS 39 -11.509 -2.173 -6.412 1008 HG3 LYS 39 1HG LYS 39 -12.764 -3.123 -5.612 1009 HD2 LYS 39 2HD LYS 39 -11.489 -0.768 -4.272 1010 HD3 LYS 39 1HD LYS 39 -12.833 -0.580 -5.382 1011 HE2 LYS 39 2HE LYS 39 -12.846 -2.290 -2.904 1012 HE3 LYS 39 1HE LYS 39 -13.569 -0.687 -3.036 1013 HZ1 LYS 39 3HZ LYS 39 -15.282 -2.286 -3.319 1014 HZ2 LYS 39 1HZ LYS 39 -14.392 -3.149 -4.480 1015 HZ3 LYS 39 2HZ LYS 39 -14.986 -1.606 -4.845 1016 H THR 40 H THR 40 -8.320 -3.395 -6.387 1017 HA THR 40 HA THR 40 -8.944 -4.048 -9.135 1018 HB THR 40 HB THR 40 -8.800 -1.131 -8.325 1019 HG1 THR 40 1HG THR 40 -10.917 -2.893 -8.535 1020 HG21 THR 40 3HG2 THR 40 -7.920 -1.567 -10.561 1021 HG22 THR 40 1HG2 THR 40 -9.461 -0.716 -10.657 1022 HG23 THR 40 2HG2 THR 40 -9.389 -2.448 -10.981 1023 H ALA 41 H ALA 41 -7.048 -1.562 -7.445 1024 HA ALA 41 HA ALA 41 -4.847 -1.125 -7.257 1025 HB1 ALA 41 3HB ALA 41 -4.366 -3.922 -8.271 1026 HB2 ALA 41 1HB ALA 41 -4.644 -3.490 -6.583 1027 HB3 ALA 41 2HB ALA 41 -3.215 -2.889 -7.424 1028 H ILE 42 H ILE 42 -5.049 -3.172 -10.176 1029 HA ILE 42 HA ILE 42 -3.524 -1.076 -11.587 1030 HB ILE 42 HB ILE 42 -3.340 -3.378 -13.133 1031 HG12 ILE 42 2HG1 ILE 42 -2.216 -4.942 -11.440 1032 HG13 ILE 42 1HG1 ILE 42 -3.081 -4.036 -10.207 1033 HG21 ILE 42 1HG2 ILE 42 -1.362 -2.152 -11.231 1034 HG22 ILE 42 2HG2 ILE 42 -1.623 -1.716 -12.921 1035 HG23 ILE 42 3HG2 ILE 42 -0.961 -3.299 -12.508 1036 HD11 ILE 42 3HD1 ILE 42 -4.327 -5.566 -12.473 1037 HD12 ILE 42 1HD1 ILE 42 -5.205 -4.643 -11.254 1038 HD13 ILE 42 2HD1 ILE 42 -4.268 -6.062 -10.782 1039 H GLU 43 H GLU 43 -3.792 -1.945 -14.159 1040 HA GLU 43 HA GLU 43 -6.660 -1.474 -14.647 1041 HB2 GLU 43 2HB GLU 43 -5.272 0.501 -15.141 1042 HB3 GLU 43 1HB GLU 43 -4.290 -0.459 -16.238 1043 HG2 GLU 43 2HG GLU 43 -5.853 0.912 -17.470 1044 HG3 GLU 43 1HG GLU 43 -6.238 -0.795 -17.681 1045 H ILE 44 H ILE 44 -7.501 -2.322 -16.655 1046 HA ILE 44 HA ILE 44 -6.072 -4.759 -17.472 1047 HB ILE 44 HB ILE 44 -8.188 -5.303 -16.479 1048 HG12 ILE 44 2HG1 ILE 44 -8.485 -5.495 -19.482 1049 HG13 ILE 44 1HG1 ILE 44 -7.487 -6.568 -18.504 1050 HG21 ILE 44 1HG2 ILE 44 -10.322 -4.461 -17.350 1051 HG22 ILE 44 2HG2 ILE 44 -9.442 -3.394 -18.444 1052 HG23 ILE 44 3HG2 ILE 44 -9.311 -3.171 -16.699 1053 HD11 ILE 44 3HD1 ILE 44 -9.614 -7.595 -19.053 1054 HD12 ILE 44 1HD1 ILE 44 -10.474 -6.250 -18.301 1055 HD13 ILE 44 2HD1 ILE 44 -9.482 -7.327 -17.315 1056 H VAL 45 H VAL 45 -5.257 -4.824 -19.447 1057 HA VAL 45 HA VAL 45 -6.007 -2.751 -21.364 1058 HB VAL 45 HB VAL 45 -4.065 -3.510 -22.679 1059 HG11 VAL 45 1HG1 VAL 45 -3.757 -1.755 -21.031 1060 HG12 VAL 45 2HG1 VAL 45 -2.315 -2.766 -21.124 1061 HG13 VAL 45 3HG1 VAL 45 -3.442 -2.956 -19.780 1062 HG21 VAL 45 3HG2 VAL 45 -3.588 -5.436 -20.406 1063 HG22 VAL 45 1HG2 VAL 45 -2.499 -5.147 -21.764 1064 HG23 VAL 45 2HG2 VAL 45 -4.084 -5.870 -22.040 1065 H SER 46 H SER 46 -6.399 -3.388 -23.635 1066 HA SER 46 HA SER 46 -7.555 -6.076 -23.831 1067 HG SER 46 HG SER 46 -9.069 -2.801 -25.217 1068 HB2 SER 46 2HB SER 46 -9.466 -4.891 -25.131 1069 HB3 SER 46 1HB SER 46 -9.481 -4.837 -23.368 1070 H GLU 47 H GLU 47 -7.548 -7.001 -25.865 1071 HA GLU 47 HA GLU 47 -5.691 -6.013 -27.782 1072 HB2 GLU 47 2HB GLU 47 -7.859 -8.104 -28.093 1073 HB3 GLU 47 1HB GLU 47 -6.550 -7.824 -29.232 1074 HG2 GLU 47 2HG GLU 47 -6.272 -8.779 -26.391 1075 HG3 GLU 47 1HG GLU 47 -6.106 -9.755 -27.849 1076 H GLU 48 H GLU 48 -6.447 -5.735 -30.170 1077 HA GLU 48 HA GLU 48 -8.204 -3.519 -30.287 1078 HB2 GLU 48 2HB GLU 48 -6.363 -4.124 -31.954 1079 HB3 GLU 48 1HB GLU 48 -7.500 -5.287 -32.629 1080 HG2 GLU 48 2HG GLU 48 -7.526 -3.217 -33.890 1081 HG3 GLU 48 1HG GLU 48 -9.076 -3.491 -33.097 1082 H ASP 49 H ASP 49 -8.539 -6.857 -31.363 1083 HA ASP 49 HA ASP 49 -11.187 -6.948 -30.261 1084 HB2 ASP 49 2HB ASP 49 -11.559 -6.085 -32.579 1085 HB3 ASP 49 1HB ASP 49 -10.879 -7.586 -33.196 1086 H GLY 50 H GLY 50 -10.737 -8.554 -28.987 1087 HA2 GLY 50 2HA GLY 50 -10.477 -11.202 -29.931 1088 HA3 GLY 50 1HA GLY 50 -8.898 -10.613 -29.428 1089 H GLY 51 H GLY 51 -8.809 -9.659 -27.197 1090 HA2 GLY 51 2HA GLY 51 -10.827 -10.369 -25.316 1091 HA3 GLY 51 1HA GLY 51 -9.487 -11.505 -25.288 1092 H ALA 52 H ALA 52 -10.523 -9.405 -23.398 1093 HA ALA 52 HA ALA 52 -8.387 -7.510 -23.133 1094 HB1 ALA 52 3HB ALA 52 -9.497 -6.836 -21.090 1095 HB2 ALA 52 1HB ALA 52 -10.531 -8.263 -21.147 1096 HB3 ALA 52 2HB ALA 52 -10.680 -7.016 -22.386 1097 H HIS 53 H HIS 53 -6.891 -7.396 -21.407 1098 HA HIS 53 HA HIS 53 -6.348 -9.908 -19.978 1099 HD1 HIS 53 1HD HIS 53 -4.509 -12.062 -21.130 1100 HD2 HIS 53 2HD HIS 53 -5.297 -9.249 -24.086 1101 HE1 HIS 53 1HE HIS 53 -4.970 -13.381 -23.211 1102 HE2 HIS 53 2HE HIS 53 -5.113 -11.649 -25.040 1103 HB2 HIS 53 2HB HIS 53 -4.344 -8.358 -21.636 1104 HB3 HIS 53 1HB HIS 53 -3.910 -9.620 -20.487 1105 H ASN 54 H ASN 54 -6.057 -9.472 -17.865 1106 HA ASN 54 HA ASN 54 -5.609 -6.739 -17.002 1107 HB2 ASN 54 2HB ASN 54 -7.126 -8.209 -15.720 1108 HB3 ASN 54 1HB ASN 54 -5.783 -9.296 -15.382 1109 HD21 ASN 54 2HD2 ASN 54 -6.269 -5.860 -13.283 1110 HD22 ASN 54 1HD2 ASN 54 -7.226 -6.214 -14.676 1111 H GLN 55 H GLN 55 -3.729 -5.960 -15.994 1112 HA GLN 55 HA GLN 55 -1.390 -7.712 -16.243 1113 HB2 GLN 55 2HB GLN 55 -1.591 -6.400 -18.320 1114 HB3 GLN 55 1HB GLN 55 -1.577 -4.916 -17.377 1115 HG2 GLN 55 2HG GLN 55 0.685 -5.550 -16.546 1116 HG3 GLN 55 1HG GLN 55 0.657 -6.905 -17.676 1117 HE21 GLN 55 2HE2 GLN 55 0.356 -4.255 -20.384 1118 HE22 GLN 55 1HE2 GLN 55 -0.809 -5.331 -19.686 1119 H CYS 56 H CYS 56 -0.404 -7.750 -14.347 1120 HA CYS 56 HA CYS 56 -0.343 -5.362 -12.670 1121 HG CYS 56 HG CYS 56 0.320 -6.710 -9.374 1122 HB2 CYS 56 2HB CYS 56 -0.698 -7.536 -11.565 1123 HB3 CYS 56 1HB CYS 56 0.830 -8.118 -12.213 1124 H LYS 57 H LYS 57 1.055 -3.890 -13.402 1125 HA LYS 57 HA LYS 57 3.182 -4.624 -15.165 1126 HB2 LYS 57 2HB LYS 57 2.542 -1.909 -14.010 1127 HB3 LYS 57 1HB LYS 57 3.514 -2.243 -15.439 1128 HG2 LYS 57 2HG LYS 57 1.534 -3.212 -16.535 1129 HG3 LYS 57 1HG LYS 57 0.571 -2.796 -15.119 1130 HD2 LYS 57 2HD LYS 57 0.224 -1.115 -16.779 1131 HD3 LYS 57 1HD LYS 57 1.193 -0.409 -15.485 1132 HE2 LYS 57 2HE LYS 57 3.202 -0.658 -16.797 1133 HE3 LYS 57 1HE LYS 57 2.315 -1.523 -18.052 1134 HZ1 LYS 57 3HZ LYS 57 1.801 1.296 -17.257 1135 HZ2 LYS 57 1HZ LYS 57 1.069 0.459 -18.538 1136 HZ3 LYS 57 2HZ LYS 57 2.724 0.827 -18.600 1137 H LEU 58 H LEU 58 3.239 -5.135 -12.066 1138 HA LEU 58 HA LEU 58 5.861 -3.977 -11.516 1139 HG LEU 58 HG LEU 58 5.163 -2.792 -9.479 1140 HB2 LEU 58 2HB LEU 58 3.897 -5.508 -9.828 1141 HB3 LEU 58 1HB LEU 58 5.551 -5.267 -9.304 1142 HD11 LEU 58 1HD1 LEU 58 2.286 -3.637 -9.791 1143 HD12 LEU 58 2HD1 LEU 58 3.264 -2.808 -11.002 1144 HD13 LEU 58 3HD1 LEU 58 2.851 -1.994 -9.492 1145 HD21 LEU 58 3HD2 LEU 58 3.396 -4.338 -7.586 1146 HD22 LEU 58 1HD2 LEU 58 3.905 -2.662 -7.383 1147 HD23 LEU 58 2HD2 LEU 58 5.101 -3.957 -7.344 1148 H CYS 59 H CYS 59 4.474 -7.229 -11.071 1149 HA CYS 59 HA CYS 59 7.083 -8.418 -11.503 1150 HG CYS 59 HG CYS 59 3.267 -10.856 -10.813 1151 HB2 CYS 59 2HB CYS 59 5.803 -10.559 -11.016 1152 HB3 CYS 59 1HB CYS 59 5.849 -9.374 -9.716 1153 H GLY 60 H GLY 60 4.512 -7.494 -13.433 1154 HA2 GLY 60 2HA GLY 60 4.272 -7.769 -15.731 1155 HA3 GLY 60 1HA GLY 60 5.546 -8.981 -15.690 1156 H ALA 61 H ALA 61 2.643 -8.935 -13.725 1157 HA ALA 61 HA ALA 61 2.065 -11.657 -14.524 1158 HB1 ALA 61 3HB ALA 61 1.931 -11.016 -12.168 1159 HB2 ALA 61 1HB ALA 61 0.379 -11.591 -12.776 1160 HB3 ALA 61 2HB ALA 61 0.654 -9.863 -12.558 1161 H SER 62 H SER 62 0.533 -12.275 -15.907 1162 HA SER 62 HA SER 62 -1.361 -10.240 -16.847 1163 HG SER 62 HG SER 62 0.801 -12.712 -19.184 1164 HB2 SER 62 2HB SER 62 -1.365 -11.578 -19.003 1165 HB3 SER 62 1HB SER 62 0.130 -10.716 -18.639 1166 H VAL 63 H VAL 63 -3.462 -10.689 -16.689 1167 HA VAL 63 HA VAL 63 -4.265 -13.470 -16.143 1168 HB VAL 63 HB VAL 63 -5.302 -10.975 -14.784 1169 HG11 VAL 63 1HG1 VAL 63 -6.796 -12.485 -13.544 1170 HG12 VAL 63 2HG1 VAL 63 -6.281 -13.821 -14.573 1171 HG13 VAL 63 3HG1 VAL 63 -7.157 -12.459 -15.270 1172 HG21 VAL 63 3HG2 VAL 63 -4.524 -12.077 -12.735 1173 HG22 VAL 63 1HG2 VAL 63 -3.202 -11.800 -13.869 1174 HG23 VAL 63 2HG2 VAL 63 -3.893 -13.413 -13.697 1175 HA PRO 64 HA PRO 64 -6.808 -12.613 -19.758 1176 HB2 PRO 64 1HB PRO 64 -7.208 -14.721 -20.563 1177 HB3 PRO 64 2HB PRO 64 -7.814 -15.305 -19.010 1178 HG2 PRO 64 2HG PRO 64 -5.735 -16.348 -19.068 1179 HG3 PRO 64 1HG PRO 64 -4.987 -15.003 -19.954 1180 HD2 PRO 64 2HD PRO 64 -5.681 -15.203 -17.042 1181 HD3 PRO 64 1HD PRO 64 -4.228 -14.523 -17.809 1182 H TRP 65 H TRP 65 -8.776 -11.734 -19.867 1183 HA TRP 65 HA TRP 65 -10.354 -11.336 -17.560 1184 HD1 TRP 65 HD TRP 65 -13.464 -9.841 -20.707 1185 HE1 TRP 65 1HE TRP 65 -15.147 -8.676 -19.151 1186 HE3 TRP 65 3HE TRP 65 -10.689 -9.782 -16.411 1187 HZ2 TRP 65 2HZ TRP 65 -15.281 -7.841 -16.463 1188 HZ3 TRP 65 3HZ TRP 65 -11.672 -8.780 -14.392 1189 HH2 TRP 65 HH TRP 65 -13.920 -7.829 -14.417 1190 HB2 TRP 65 2HB TRP 65 -10.190 -9.798 -19.544 1191 HB3 TRP 65 1HB TRP 65 -11.177 -10.939 -20.445 1192 H LEU 66 H LEU 66 -12.678 -11.895 -17.408 1193 HA LEU 66 HA LEU 66 -14.429 -13.344 -17.334 1194 HG LEU 66 HG LEU 66 -15.038 -14.700 -20.680 1195 HB2 LEU 66 2HB LEU 66 -12.883 -14.730 -19.478 1196 HB3 LEU 66 1HB LEU 66 -14.158 -15.600 -18.650 1197 HD11 LEU 66 1HD1 LEU 66 -16.884 -13.353 -19.846 1198 HD12 LEU 66 2HD1 LEU 66 -16.003 -13.065 -18.345 1199 HD13 LEU 66 3HD1 LEU 66 -16.530 -14.697 -18.761 1200 HD21 LEU 66 3HD2 LEU 66 -14.096 -12.005 -19.721 1201 HD22 LEU 66 1HD2 LEU 66 -15.091 -12.294 -21.148 1202 HD23 LEU 66 2HD2 LEU 66 -13.443 -12.922 -21.079 1203 H GLN 67 H GLN 67 -11.193 -14.185 -16.683 1204 HA GLN 67 HA GLN 67 -11.782 -16.536 -15.151 1205 HB2 GLN 67 2HB GLN 67 -9.346 -14.774 -15.340 1206 HB3 GLN 67 1HB GLN 67 -9.444 -16.116 -14.210 1207 HG2 GLN 67 2HG GLN 67 -9.884 -17.630 -16.130 1208 HG3 GLN 67 1HG GLN 67 -9.607 -16.266 -17.210 1209 HE21 GLN 67 2HE2 GLN 67 -6.299 -17.123 -15.016 1210 HE22 GLN 67 1HE2 GLN 67 -7.801 -16.741 -14.260 1211 H THR 68 H THR 68 -11.000 -16.551 -12.762 1212 HA THR 68 HA THR 68 -12.797 -14.777 -11.375 1213 HB THR 68 HB THR 68 -12.567 -17.177 -10.791 1214 HG1 THR 68 1HG THR 68 -12.278 -15.097 -8.941 1215 HG21 THR 68 3HG2 THR 68 -10.647 -17.895 -9.421 1216 HG22 THR 68 1HG2 THR 68 -9.878 -16.339 -9.714 1217 HG23 THR 68 2HG2 THR 68 -10.164 -17.444 -11.058 1218 H GLY 69 H GLY 69 -9.832 -14.206 -12.466 1219 HA2 GLY 69 2HA GLY 69 -8.767 -12.104 -11.848 1220 HA3 GLY 69 1HA GLY 69 -9.137 -12.487 -10.170 1221 H ASP 70 H ASP 70 -8.397 -15.271 -10.418 1222 HA ASP 70 HA ASP 70 -6.645 -16.720 -10.411 1223 HB2 ASP 70 2HB ASP 70 -6.391 -15.724 -12.756 1224 HB3 ASP 70 1HB ASP 70 -5.112 -14.727 -12.078 1225 H GLU 71 H GLU 71 -6.802 -14.106 -8.732 1226 HA GLU 71 HA GLU 71 -5.767 -13.044 -7.070 1227 HB2 GLU 71 2HB GLU 71 -4.104 -15.555 -6.966 1228 HB3 GLU 71 1HB GLU 71 -4.226 -14.335 -5.717 1229 HG2 GLU 71 2HG GLU 71 -6.666 -14.829 -5.564 1230 HG3 GLU 71 1HG GLU 71 -6.389 -16.181 -6.663 1231 H ILE 72 H ILE 72 -4.432 -13.187 -9.928 1232 HA ILE 72 HA ILE 72 -2.649 -12.269 -10.994 1233 HB ILE 72 HB ILE 72 -2.237 -10.868 -8.344 1234 HG12 ILE 72 2HG1 ILE 72 -4.348 -10.317 -9.470 1235 HG13 ILE 72 1HG1 ILE 72 -3.251 -8.943 -9.461 1236 HG21 ILE 72 1HG2 ILE 72 -0.936 -10.298 -11.004 1237 HG22 ILE 72 2HG2 ILE 72 -0.142 -10.938 -9.565 1238 HG23 ILE 72 3HG2 ILE 72 -0.799 -9.302 -9.556 1239 HD11 ILE 72 3HD1 ILE 72 -4.382 -9.140 -11.592 1240 HD12 ILE 72 1HD1 ILE 72 -3.758 -10.777 -11.788 1241 HD13 ILE 72 2HD1 ILE 72 -2.649 -9.407 -11.781 1242 H LYS 73 H LYS 73 -1.356 -14.013 -11.416 1243 HA LYS 73 HA LYS 73 0.158 -15.422 -9.529 1244 HB2 LYS 73 2HB LYS 73 0.598 -15.083 -12.500 1245 HB3 LYS 73 1HB LYS 73 1.508 -16.206 -11.498 1246 HG2 LYS 73 2HG LYS 73 -1.457 -16.241 -12.004 1247 HG3 LYS 73 1HG LYS 73 -0.261 -17.391 -12.609 1248 HD2 LYS 73 2HD LYS 73 0.195 -18.175 -10.383 1249 HD3 LYS 73 1HD LYS 73 -0.814 -16.909 -9.684 1250 HE2 LYS 73 2HE LYS 73 -1.974 -19.046 -9.679 1251 HE3 LYS 73 1HE LYS 73 -2.785 -17.886 -10.731 1252 HZ1 LYS 73 3HZ LYS 73 -1.885 -18.947 -12.640 1253 HZ2 LYS 73 1HZ LYS 73 -2.577 -20.154 -11.672 1254 HZ3 LYS 73 2HZ LYS 73 -0.890 -19.954 -11.705 1255 H HIS 74 H HIS 74 2.094 -15.093 -8.597 1256 HA HIS 74 HA HIS 74 3.481 -12.591 -9.207 1257 HD1 HIS 74 1HD HIS 74 3.562 -13.450 -4.919 1258 HD2 HIS 74 2HD HIS 74 -0.118 -13.930 -6.795 1259 HE1 HIS 74 1HE HIS 74 2.231 -14.975 -3.424 1260 HE2 HIS 74 2HE HIS 74 0.061 -15.371 -4.652 1261 HB2 HIS 74 2HB HIS 74 3.156 -11.801 -6.882 1262 HB3 HIS 74 1HB HIS 74 1.631 -11.936 -7.752 1263 H ALA 75 H ALA 75 5.408 -12.277 -7.906 1264 HA ALA 75 HA ALA 75 6.622 -14.693 -6.862 1265 HB1 ALA 75 3HB ALA 75 8.030 -13.109 -8.085 1266 HB2 ALA 75 1HB ALA 75 8.556 -13.222 -6.405 1267 HB3 ALA 75 2HB ALA 75 7.611 -11.832 -6.943 1268 H ASP 76 H ASP 76 7.494 -14.589 -4.562 1269 HA ASP 76 HA ASP 76 5.241 -13.808 -2.901 1270 HB2 ASP 76 2HB ASP 76 6.391 -16.046 -2.734 1271 HB3 ASP 76 1HB ASP 76 7.777 -15.210 -2.044 1272 H ASP 77 H ASP 77 8.318 -12.589 -3.706 1273 HA ASP 77 HA ASP 77 8.715 -11.105 -1.255 1274 HB2 ASP 77 2HB ASP 77 10.606 -12.067 -2.563 1275 HB3 ASP 77 1HB ASP 77 10.243 -10.934 -3.861 1276 H CYS 78 H CYS 78 6.824 -10.648 -3.951 1277 HA CYS 78 HA CYS 78 7.216 -7.933 -4.578 1278 HG CYS 78 HG CYS 78 7.438 -9.389 -6.771 1279 HB2 CYS 78 2HB CYS 78 4.699 -9.595 -4.818 1280 HB3 CYS 78 1HB CYS 78 4.978 -8.050 -5.610 1281 HA PRO 79 HA PRO 79 5.752 -5.736 -1.053 1282 HB2 PRO 79 1HB PRO 79 5.821 -3.533 -1.679 1283 HB3 PRO 79 2HB PRO 79 4.696 -3.777 -3.019 1284 HG2 PRO 79 2HG PRO 79 6.671 -3.550 -4.208 1285 HG3 PRO 79 1HG PRO 79 7.644 -4.260 -2.906 1286 HD2 PRO 79 2HD PRO 79 5.972 -5.611 -4.980 1287 HD3 PRO 79 1HD PRO 79 7.531 -6.105 -4.290 1288 H VAL 80 H VAL 80 3.570 -6.024 -3.824 1289 HA VAL 80 HA VAL 80 1.169 -5.434 -2.507 1290 HB VAL 80 HB VAL 80 1.580 -7.348 -4.815 1291 HG11 VAL 80 1HG1 VAL 80 -0.875 -5.844 -3.908 1292 HG12 VAL 80 2HG1 VAL 80 -0.627 -7.590 -3.837 1293 HG13 VAL 80 3HG1 VAL 80 -0.747 -6.778 -5.398 1294 HG21 VAL 80 3HG2 VAL 80 2.554 -5.150 -5.264 1295 HG22 VAL 80 1HG2 VAL 80 1.022 -4.384 -4.845 1296 HG23 VAL 80 2HG2 VAL 80 1.125 -5.435 -6.258 1297 H VAL 81 H VAL 81 3.029 -8.389 -2.766 1298 HA VAL 81 HA VAL 81 1.004 -10.110 -1.714 1299 HB VAL 81 HB VAL 81 3.975 -10.620 -1.915 1300 HG11 VAL 81 1HG1 VAL 81 3.313 -12.984 -1.973 1301 HG12 VAL 81 2HG1 VAL 81 1.631 -12.512 -1.733 1302 HG13 VAL 81 3HG1 VAL 81 2.823 -12.204 -0.470 1303 HG21 VAL 81 3HG2 VAL 81 3.069 -9.963 -4.073 1304 HG22 VAL 81 1HG2 VAL 81 1.783 -11.159 -3.912 1305 HG23 VAL 81 2HG2 VAL 81 3.461 -11.683 -4.061 1306 H ILE 82 H ILE 82 3.912 -8.566 -0.397 1307 HA ILE 82 HA ILE 82 3.773 -9.775 2.147 1308 HB ILE 82 HB ILE 82 5.752 -8.543 1.096 1309 HG12 ILE 82 2HG1 ILE 82 5.510 -9.387 3.521 1310 HG13 ILE 82 1HG1 ILE 82 6.792 -8.236 3.171 1311 HG21 ILE 82 1HG2 ILE 82 4.661 -6.451 0.563 1312 HG22 ILE 82 2HG2 ILE 82 6.026 -6.184 1.647 1313 HG23 ILE 82 3HG2 ILE 82 4.378 -6.146 2.276 1314 HD11 ILE 82 3HD1 ILE 82 5.432 -6.435 4.094 1315 HD12 ILE 82 1HD1 ILE 82 5.681 -7.728 5.269 1316 HD13 ILE 82 2HD1 ILE 82 4.135 -7.583 4.431 1317 H ALA 83 H ALA 83 2.341 -6.854 0.813 1318 HA ALA 83 HA ALA 83 1.210 -5.871 3.213 1319 HB1 ALA 83 3HB ALA 83 1.449 -4.496 1.210 1320 HB2 ALA 83 1HB ALA 83 -0.220 -4.517 1.775 1321 HB3 ALA 83 2HB ALA 83 0.251 -5.488 0.378 1322 H LYS 84 H LYS 84 0.016 -8.119 0.764 1323 HA LYS 84 HA LYS 84 -2.598 -8.383 1.791 1324 HB2 LYS 84 2HB LYS 84 -0.898 -10.251 0.143 1325 HB3 LYS 84 1HB LYS 84 -2.572 -10.591 0.559 1326 HG2 LYS 84 2HG LYS 84 -3.246 -8.520 -0.594 1327 HG3 LYS 84 1HG LYS 84 -1.563 -8.268 -1.068 1328 HD2 LYS 84 2HD LYS 84 -1.553 -10.302 -2.336 1329 HD3 LYS 84 1HD LYS 84 -3.159 -10.728 -1.741 1330 HE2 LYS 84 2HE LYS 84 -4.011 -8.637 -2.831 1331 HE3 LYS 84 1HE LYS 84 -2.420 -8.453 -3.572 1332 HZ1 LYS 84 3HZ LYS 84 -2.711 -10.607 -4.639 1333 HZ2 LYS 84 1HZ LYS 84 -3.968 -9.545 -5.068 1334 HZ3 LYS 84 2HZ LYS 84 -4.240 -10.775 -3.927 1335 H GLN 85 H GLN 85 0.415 -10.058 2.494 1336 HA GLN 85 HA GLN 85 -0.692 -11.990 4.224 1337 HB2 GLN 85 2HB GLN 85 2.078 -10.840 3.966 1338 HB3 GLN 85 1HB GLN 85 1.676 -12.152 5.058 1339 HG2 GLN 85 2HG GLN 85 0.996 -13.548 3.214 1340 HG3 GLN 85 1HG GLN 85 1.262 -12.221 2.083 1341 HE21 GLN 85 2HE2 GLN 85 4.725 -12.646 1.892 1342 HE22 GLN 85 1HE2 GLN 85 3.361 -11.630 1.557 1343 H ILE 86 H ILE 86 0.156 -8.654 4.645 1344 HA ILE 86 HA ILE 86 0.254 -8.685 7.501 1345 HB ILE 86 HB ILE 86 -0.149 -6.399 5.564 1346 HG12 ILE 86 2HG1 ILE 86 2.272 -7.248 7.167 1347 HG13 ILE 86 1HG1 ILE 86 2.045 -7.532 5.448 1348 HG21 ILE 86 1HG2 ILE 86 0.368 -4.916 7.456 1349 HG22 ILE 86 2HG2 ILE 86 0.342 -6.308 8.538 1350 HG23 ILE 86 3HG2 ILE 86 -1.130 -5.815 7.700 1351 HD11 ILE 86 3HD1 ILE 86 2.284 -4.852 6.790 1352 HD12 ILE 86 1HD1 ILE 86 1.995 -5.110 5.070 1353 HD13 ILE 86 2HD1 ILE 86 3.508 -5.648 5.800 1354 H LEU 87 H LEU 87 -2.262 -7.899 5.105 1355 HA LEU 87 HA LEU 87 -4.142 -7.006 7.020 1356 HG LEU 87 HG LEU 87 -3.770 -8.730 3.746 1357 HB2 LEU 87 2HB LEU 87 -5.798 -7.128 5.250 1358 HB3 LEU 87 1HB LEU 87 -4.331 -6.351 4.703 1359 HD11 LEU 87 1HD1 LEU 87 -6.777 -8.831 3.928 1360 HD12 LEU 87 2HD1 LEU 87 -5.643 -9.916 4.731 1361 HD13 LEU 87 3HD1 LEU 87 -5.770 -9.918 2.972 1362 HD21 LEU 87 3HD2 LEU 87 -5.813 -6.896 2.502 1363 HD22 LEU 87 1HD2 LEU 87 -4.848 -8.096 1.643 1364 HD23 LEU 87 2HD2 LEU 87 -4.060 -6.719 2.415 1365 H SER 88 H SER 88 -3.253 -10.164 5.921 1366 HA SER 88 HA SER 88 -5.533 -11.479 7.062 1367 HG SER 88 HG SER 88 -5.204 -13.096 4.786 1368 HB2 SER 88 2HB SER 88 -2.851 -12.562 6.166 1369 HB3 SER 88 1HB SER 88 -4.238 -13.540 6.628 1370 H SER 89 H SER 89 -5.707 -10.966 9.193 1371 HA SER 89 HA SER 89 -3.488 -10.802 10.961 1372 HG SER 89 HG SER 89 -6.909 -11.835 11.491 1373 HB2 SER 89 2HB SER 89 -5.329 -10.681 12.722 1374 HB3 SER 89 1HB SER 89 -5.372 -9.439 11.471 1375 H ARG 90 H ARG 90 -2.394 -12.727 10.948 1376 HA ARG 90 HA ARG 90 -3.456 -14.766 12.676 1377 HE ARG 90 HE ARG 90 -2.072 -15.307 6.892 1378 HB2 ARG 90 2HB ARG 90 -2.999 -16.616 11.062 1379 HB3 ARG 90 1HB ARG 90 -4.360 -15.603 10.605 1380 HG2 ARG 90 2HG ARG 90 -2.940 -14.422 9.000 1381 HG3 ARG 90 1HG ARG 90 -1.581 -15.450 9.454 1382 HD2 ARG 90 2HD ARG 90 -2.742 -17.408 8.647 1383 HD3 ARG 90 1HD ARG 90 -4.185 -16.451 8.306 1384 HH11 ARG 90 1HH1 ARG 90 -3.799 -18.355 6.943 1385 HH12 ARG 90 2HH1 ARG 90 -3.622 -18.640 5.242 1386 HH21 ARG 90 2HH2 ARG 90 -2.484 -17.129 3.933 1387 HH22 ARG 90 1HH2 ARG 90 -1.840 -15.676 4.638 1388 HA PRO 91 HA PRO 91 0.924 -14.829 13.525 1389 HB2 PRO 91 1HB PRO 91 0.886 -15.506 15.688 1390 HB3 PRO 91 2HB PRO 91 0.441 -17.147 15.214 1391 HG2 PRO 91 2HG PRO 91 -1.553 -16.601 16.202 1392 HG3 PRO 91 1HG PRO 91 -1.294 -14.861 15.973 1393 HD2 PRO 91 2HD PRO 91 -2.353 -16.894 14.045 1394 HD3 PRO 91 1HD PRO 91 -2.887 -15.222 14.330 1395 H LYS 92 H LYS 92 1.586 -15.556 11.455 1396 HA LYS 92 HA LYS 92 1.507 -18.388 10.867 1397 HB2 LYS 92 2HB LYS 92 1.248 -16.718 9.052 1398 HB3 LYS 92 1HB LYS 92 2.886 -16.156 9.359 1399 HG2 LYS 92 2HG LYS 92 3.736 -18.397 8.799 1400 HG3 LYS 92 1HG LYS 92 2.090 -18.906 8.424 1401 HD2 LYS 92 2HD LYS 92 3.234 -18.354 6.379 1402 HD3 LYS 92 1HD LYS 92 1.983 -17.150 6.685 1403 HE2 LYS 92 2HE LYS 92 3.624 -15.580 7.494 1404 HE3 LYS 92 1HE LYS 92 4.897 -16.794 7.376 1405 HZ1 LYS 92 3HZ LYS 92 4.931 -15.241 5.509 1406 HZ2 LYS 92 1HZ LYS 92 3.357 -15.707 5.078 1407 HZ3 LYS 92 2HZ LYS 92 4.624 -16.826 4.990 1408 H LEU 93 H LEU 93 2.759 -19.487 12.228 1409 HA LEU 93 HA LEU 93 5.616 -18.781 12.296 1410 HG LEU 93 HG LEU 93 3.607 -17.666 14.440 1411 HB2 LEU 93 2HB LEU 93 4.010 -20.110 14.489 1412 HB3 LEU 93 1HB LEU 93 5.736 -19.807 14.532 1413 HD11 LEU 93 1HD1 LEU 93 3.571 -18.847 16.555 1414 HD12 LEU 93 2HD1 LEU 93 4.260 -17.237 16.764 1415 HD13 LEU 93 3HD1 LEU 93 5.315 -18.649 16.718 1416 HD21 LEU 93 3HD2 LEU 93 6.589 -17.472 14.842 1417 HD22 LEU 93 1HD2 LEU 93 5.441 -16.134 14.898 1418 HD23 LEU 93 2HD2 LEU 93 5.713 -17.000 13.385 1419 H HIS 94 H HIS 94 6.072 -20.087 10.533 1420 HA HIS 94 HA HIS 94 5.989 -22.961 11.106 1421 HD1 HIS 94 1HD HIS 94 5.046 -23.396 6.581 1422 HD2 HIS 94 2HD HIS 94 5.363 -25.288 10.274 1423 HE1 HIS 94 1HE HIS 94 5.243 -25.846 6.074 1424 HE2 HIS 94 2HE HIS 94 5.654 -26.943 8.307 1425 HB2 HIS 94 2HB HIS 94 4.033 -22.425 9.667 1426 HB3 HIS 94 1HB HIS 94 5.130 -21.774 8.457 1427 H ALA 95 H ALA 95 8.178 -22.873 11.510 1428 HA ALA 95 HA ALA 95 9.998 -22.014 9.424 1429 HB1 ALA 95 3HB ALA 95 10.588 -23.463 12.011 1430 HB2 ALA 95 1HB ALA 95 10.603 -21.711 11.791 1431 HB3 ALA 95 2HB ALA 95 11.768 -22.717 10.933 1432 H VAL 96 H VAL 96 10.159 -23.252 7.683 1433 HA VAL 96 HA VAL 96 10.545 -25.017 6.324 1434 HB VAL 96 HB VAL 96 11.093 -26.608 8.843 1435 HG11 VAL 96 1HG1 VAL 96 11.710 -27.222 5.952 1436 HG12 VAL 96 2HG1 VAL 96 10.544 -28.059 6.975 1437 HG13 VAL 96 3HG1 VAL 96 12.265 -28.161 7.339 1438 HG21 VAL 96 3HG2 VAL 96 12.980 -25.220 6.941 1439 HG22 VAL 96 1HG2 VAL 96 13.450 -26.264 8.283 1440 HG23 VAL 96 2HG2 VAL 96 12.625 -24.739 8.601 Start of MODEL 3 1 HA MET 1 HA MET 1 -5.758 -3.389 31.162 2 H1 MET 1 1H MET 1 -4.253 -5.261 30.877 3 H2 MET 1 2H MET 1 -5.864 -5.670 30.556 4 H3 MET 1 3H MET 1 -5.139 -6.155 32.014 5 HB2 MET 1 2HB MET 1 -7.344 -3.345 32.964 6 HB3 MET 1 1HB MET 1 -7.679 -4.769 31.993 7 HG2 MET 1 2HG MET 1 -6.563 -6.174 33.623 8 HG3 MET 1 1HG MET 1 -6.151 -4.757 34.584 9 HE1 MET 1 3HE MET 1 -8.872 -3.025 34.321 10 HE2 MET 1 1HE MET 1 -7.935 -3.230 35.803 11 HE3 MET 1 2HE MET 1 -9.670 -3.544 35.805 12 H GLY 2 H GLY 2 -5.222 -1.759 32.703 13 HA2 GLY 2 2HA GLY 2 -3.957 -1.505 34.932 14 HA3 GLY 2 1HA GLY 2 -2.714 -2.433 34.095 15 H SER 3 H SER 3 -3.628 0.614 34.894 16 HA SER 3 HA SER 3 -3.276 1.978 32.422 17 HG SER 3 HG SER 3 -5.120 2.587 35.339 18 HB2 SER 3 2HB SER 3 -3.099 3.124 35.214 19 HB3 SER 3 1HB SER 3 -3.449 4.002 33.725 20 H SER 4 H SER 4 -1.326 1.521 31.494 21 HA SER 4 HA SER 4 1.135 2.027 32.941 22 HG SER 4 HG SER 4 2.885 1.423 29.960 23 HB2 SER 4 2HB SER 4 0.894 0.241 31.151 24 HB3 SER 4 1HB SER 4 0.792 1.543 29.970 25 H HIS 5 H HIS 5 0.776 4.172 33.530 26 HA HIS 5 HA HIS 5 -0.104 6.191 31.801 27 HD1 HIS 5 1HD HIS 5 0.479 5.175 36.098 28 HD2 HIS 5 2HD HIS 5 3.530 7.274 34.212 29 HE1 HIS 5 1HE HIS 5 2.513 4.852 37.538 30 HE2 HIS 5 2HE HIS 5 4.304 6.264 36.462 31 HB2 HIS 5 2HB HIS 5 0.722 7.771 33.561 32 HB3 HIS 5 1HB HIS 5 -0.349 6.512 34.156 33 H HIS 6 H HIS 6 0.842 7.554 30.460 34 HA HIS 6 HA HIS 6 2.394 8.629 29.204 35 HD1 HIS 6 1HD HIS 6 6.573 8.830 31.421 36 HD2 HIS 6 2HD HIS 6 4.248 10.150 28.234 37 HE1 HIS 6 1HE HIS 6 8.152 10.055 29.891 38 HE2 HIS 6 2HE HIS 6 6.676 11.043 28.105 39 HB2 HIS 6 2HB HIS 6 3.338 9.396 31.320 40 HB3 HIS 6 1HB HIS 6 4.252 7.905 31.483 41 H HIS 7 H HIS 7 2.546 7.475 27.380 42 HA HIS 7 HA HIS 7 3.435 4.836 27.207 43 HD1 HIS 7 1HD HIS 7 1.286 7.472 23.896 44 HD2 HIS 7 2HD HIS 7 5.255 7.978 25.060 45 HE1 HIS 7 1HE HIS 7 2.010 9.685 22.931 46 HE2 HIS 7 2HE HIS 7 4.394 9.996 23.700 47 HB2 HIS 7 2HB HIS 7 3.581 5.195 24.743 48 HB3 HIS 7 1HB HIS 7 2.048 5.677 25.446 49 H HIS 8 H HIS 8 5.291 3.888 26.387 50 HA HIS 8 HA HIS 8 7.709 5.424 26.113 51 HD1 HIS 8 1HD HIS 8 5.595 4.760 29.771 52 HD2 HIS 8 2HD HIS 8 7.961 1.547 28.611 53 HE1 HIS 8 1HE HIS 8 4.712 2.782 31.038 54 HE2 HIS 8 2HE HIS 8 5.981 0.813 30.111 55 HB2 HIS 8 2HB HIS 8 8.828 4.181 28.034 56 HB3 HIS 8 1HB HIS 8 7.698 5.450 28.492 57 H HIS 9 H HIS 9 9.632 3.874 25.840 58 HA HIS 9 HA HIS 9 8.625 1.662 24.174 59 HD1 HIS 9 1HD HIS 9 8.419 2.306 21.562 60 HD2 HIS 9 2HD HIS 9 10.541 5.604 22.957 61 HE1 HIS 9 1HE HIS 9 7.634 4.258 20.176 62 HE2 HIS 9 2HE HIS 9 9.040 6.212 20.936 63 HB2 HIS 9 2HB HIS 9 11.223 3.202 23.982 64 HB3 HIS 9 1HB HIS 9 10.779 1.848 22.950 65 H HIS 10 H HIS 10 8.666 -0.140 25.415 66 HA HIS 10 HA HIS 10 11.283 -0.876 26.558 67 HD1 HIS 10 1HD HIS 10 12.086 -1.665 28.816 68 HD2 HIS 10 2HD HIS 10 8.424 0.085 29.717 69 HE1 HIS 10 1HE HIS 10 12.433 -0.446 30.986 70 HE2 HIS 10 2HE HIS 10 10.144 0.408 31.619 71 HB2 HIS 10 2HB HIS 10 8.511 -1.383 27.487 72 HB3 HIS 10 1HB HIS 10 9.656 -2.707 27.672 73 H SER 11 H SER 11 10.350 -1.096 23.779 74 HA SER 11 HA SER 11 9.766 -3.810 23.204 75 HG SER 11 HG SER 11 8.319 -2.272 21.980 76 HB2 SER 11 2HB SER 11 11.060 -1.767 21.384 77 HB3 SER 11 1HB SER 11 10.175 -3.215 20.900 78 H SER 12 H SER 12 11.253 -4.991 24.425 79 HA SER 12 HA SER 12 14.090 -4.674 23.863 80 HG SER 12 HG SER 12 15.362 -6.001 25.209 81 HB2 SER 12 2HB SER 12 13.291 -4.950 26.202 82 HB3 SER 12 1HB SER 12 12.679 -6.550 25.785 83 H GLY 13 H GLY 13 14.718 -5.583 22.013 84 HA2 GLY 13 2HA GLY 13 15.497 -7.824 21.248 85 HA3 GLY 13 1HA GLY 13 13.840 -8.359 21.494 86 H ARG 14 H ARG 14 13.197 -8.873 19.503 87 HA ARG 14 HA ARG 14 13.531 -6.841 17.393 88 HE ARG 14 HE ARG 14 15.596 -11.986 17.574 89 HB2 ARG 14 2HB ARG 14 13.305 -8.725 15.783 90 HB3 ARG 14 1HB ARG 14 14.720 -8.853 16.815 91 HG2 ARG 14 2HG ARG 14 13.423 -10.443 18.250 92 HG3 ARG 14 1HG ARG 14 12.154 -10.408 17.024 93 HD2 ARG 14 2HD ARG 14 13.492 -12.318 16.573 94 HD3 ARG 14 1HD ARG 14 13.889 -11.115 15.349 95 HH11 ARG 14 1HH1 ARG 14 15.164 -10.060 14.680 96 HH12 ARG 14 2HH1 ARG 14 16.847 -9.684 14.515 97 HH21 ARG 14 2HH2 ARG 14 18.369 -10.543 16.003 98 HH22 ARG 14 1HH2 ARG 14 17.832 -11.525 17.338 99 H GLU 15 H GLU 15 11.518 -6.664 19.283 100 HA GLU 15 HA GLU 15 9.055 -7.799 18.347 101 HB2 GLU 15 2HB GLU 15 9.375 -5.488 20.262 102 HB3 GLU 15 1HB GLU 15 8.034 -6.621 20.156 103 HG2 GLU 15 2HG GLU 15 10.828 -7.386 20.968 104 HG3 GLU 15 1HG GLU 15 9.548 -6.970 22.104 105 H ASN 16 H ASN 16 10.884 -5.562 16.951 106 HA ASN 16 HA ASN 16 8.938 -3.436 16.598 107 HB2 ASN 16 2HB ASN 16 10.739 -2.262 15.440 108 HB3 ASN 16 1HB ASN 16 11.294 -2.868 16.994 109 HD21 ASN 16 2HD2 ASN 16 13.727 -3.508 14.168 110 HD22 ASN 16 1HD2 ASN 16 12.779 -2.120 14.575 111 H LEU 17 H LEU 17 8.342 -6.046 15.439 112 HA LEU 17 HA LEU 17 8.667 -5.531 12.576 113 HG LEU 17 HG LEU 17 10.356 -7.560 14.256 114 HB2 LEU 17 2HB LEU 17 7.973 -8.086 14.007 115 HB3 LEU 17 1HB LEU 17 8.108 -7.915 12.267 116 HD11 LEU 17 1HD1 LEU 17 11.252 -9.601 13.258 117 HD12 LEU 17 2HD1 LEU 17 9.820 -9.739 12.238 118 HD13 LEU 17 3HD1 LEU 17 9.674 -9.888 13.990 119 HD21 LEU 17 3HD2 LEU 17 11.798 -7.361 12.307 120 HD22 LEU 17 1HD2 LEU 17 10.582 -6.086 12.311 121 HD23 LEU 17 2HD2 LEU 17 10.398 -7.475 11.239 122 H TYR 18 H TYR 18 6.221 -7.454 14.197 123 HA TYR 18 HA TYR 18 4.272 -6.507 12.295 124 HD1 TYR 18 1HD TYR 18 3.127 -7.940 10.903 125 HD2 TYR 18 2HD TYR 18 1.582 -9.062 14.704 126 HE1 TYR 18 1HE TYR 18 0.922 -8.321 9.889 127 HE2 TYR 18 2HE TYR 18 -0.630 -9.440 13.697 128 HH TYR 18 HH TYR 18 -1.102 -9.408 10.246 129 HB2 TYR 18 2HB TYR 18 4.567 -8.927 13.042 130 HB3 TYR 18 1HB TYR 18 3.798 -8.456 14.553 131 H PHE 19 H PHE 19 1.946 -6.268 13.276 132 HA PHE 19 HA PHE 19 1.879 -3.779 14.547 133 HD1 PHE 19 2HD PHE 19 0.349 -2.292 13.167 134 HD2 PHE 19 1HD PHE 19 -0.477 -6.269 11.904 135 HE1 PHE 19 2HE PHE 19 0.170 -1.512 10.839 136 HE2 PHE 19 1HE PHE 19 -0.651 -5.502 9.579 137 HZ PHE 19 HZ PHE 19 -0.329 -3.122 9.039 138 HB2 PHE 19 2HB PHE 19 -0.317 -5.817 14.150 139 HB3 PHE 19 1HB PHE 19 -0.583 -4.174 14.719 140 H GLN 20 H GLN 20 0.659 -3.252 16.480 141 HA GLN 20 HA GLN 20 0.085 -3.338 18.658 142 HB2 GLN 20 2HB GLN 20 -0.545 -5.821 17.968 143 HB3 GLN 20 1HB GLN 20 0.817 -6.194 19.010 144 HG2 GLN 20 2HG GLN 20 -0.234 -5.029 20.853 145 HG3 GLN 20 1HG GLN 20 -1.576 -4.556 19.814 146 HE21 GLN 20 2HE2 GLN 20 -3.298 -7.294 21.067 147 HE22 GLN 20 1HE2 GLN 20 -3.179 -5.575 20.894 148 H GLY 21 H GLY 21 3.074 -4.419 17.446 149 HA2 GLY 21 2HA GLY 21 4.347 -3.346 19.885 150 HA3 GLY 21 1HA GLY 21 5.073 -4.628 18.918 151 H MET 22 H MET 22 6.303 -4.117 17.247 152 HA MET 22 HA MET 22 7.551 -2.969 15.777 153 HB2 MET 22 2HB MET 22 6.389 -1.617 14.152 154 HB3 MET 22 1HB MET 22 5.434 -3.033 14.549 155 HG2 MET 22 2HG MET 22 3.905 -1.738 15.829 156 HG3 MET 22 1HG MET 22 4.945 -0.318 15.748 157 HE1 MET 22 3HE MET 22 2.973 -2.886 13.462 158 HE2 MET 22 1HE MET 22 4.519 -2.636 12.648 159 HE3 MET 22 2HE MET 22 3.030 -2.036 11.918 160 H THR 23 H THR 23 7.569 -0.441 14.781 161 HA THR 23 HA THR 23 7.629 1.667 16.601 162 HB THR 23 HB THR 23 9.430 0.312 17.688 163 HG1 THR 23 1HG THR 23 9.413 2.765 17.487 164 HG21 THR 23 3HG2 THR 23 10.348 -0.787 15.718 165 HG22 THR 23 1HG2 THR 23 11.610 0.101 16.574 166 HG23 THR 23 2HG2 THR 23 10.912 0.764 15.098 167 H ASP 24 H ASP 24 9.972 2.985 15.513 168 HA ASP 24 HA ASP 24 8.877 4.085 13.191 169 HB2 ASP 24 2HB ASP 24 11.745 4.123 14.148 170 HB3 ASP 24 1HB ASP 24 11.106 5.148 12.869 171 H THR 25 H THR 25 10.901 1.298 13.580 172 HA THR 25 HA THR 25 12.091 1.078 11.067 173 HB THR 25 HB THR 25 11.044 -1.277 12.639 174 HG1 THR 25 1HG THR 25 13.334 0.366 13.130 175 HG21 THR 25 3HG2 THR 25 13.538 -0.903 10.972 176 HG22 THR 25 1HG2 THR 25 12.082 -1.757 10.457 177 HG23 THR 25 2HG2 THR 25 13.049 -2.387 11.791 178 H ALA 26 H ALA 26 8.821 0.287 12.099 179 HA ALA 26 HA ALA 26 8.141 -1.362 9.900 180 HB1 ALA 26 3HB ALA 26 6.337 0.228 11.721 181 HB2 ALA 26 1HB ALA 26 6.922 -1.409 12.016 182 HB3 ALA 26 2HB ALA 26 5.838 -1.091 10.661 183 H ALA 27 H ALA 27 8.368 2.048 10.267 184 HA ALA 27 HA ALA 27 6.487 2.912 8.360 185 HB1 ALA 27 3HB ALA 27 7.510 4.432 9.970 186 HB2 ALA 27 1HB ALA 27 7.757 5.005 8.320 187 HB3 ALA 27 2HB ALA 27 9.077 4.221 9.190 188 H GLU 28 H GLU 28 9.684 1.606 8.064 189 HA GLU 28 HA GLU 28 10.171 2.406 5.386 190 HB2 GLU 28 2HB GLU 28 11.978 1.725 6.897 191 HB3 GLU 28 1HB GLU 28 11.309 0.104 6.991 192 HG2 GLU 28 2HG GLU 28 13.152 0.040 5.499 193 HG3 GLU 28 1HG GLU 28 11.686 -0.112 4.535 194 H ASP 29 H ASP 29 8.878 -0.557 6.858 195 HA ASP 29 HA ASP 29 8.586 -1.946 4.395 196 HB2 ASP 29 2HB ASP 29 7.390 -2.431 7.123 197 HB3 ASP 29 1HB ASP 29 7.134 -3.504 5.749 198 H VAL 30 H VAL 30 6.367 -0.038 6.387 199 HA VAL 30 HA VAL 30 4.070 -0.510 4.793 200 HB VAL 30 HB VAL 30 4.662 1.926 6.492 201 HG11 VAL 30 1HG1 VAL 30 2.831 2.315 4.951 202 HG12 VAL 30 2HG1 VAL 30 2.216 2.150 6.595 203 HG13 VAL 30 3HG1 VAL 30 2.059 0.812 5.455 204 HG21 VAL 30 3HG2 VAL 30 3.234 -0.636 7.206 205 HG22 VAL 30 1HG2 VAL 30 3.395 0.780 8.246 206 HG23 VAL 30 2HG2 VAL 30 4.824 -0.144 7.785 207 H ARG 31 H ARG 31 6.696 1.818 4.602 208 HA ARG 31 HA ARG 31 5.725 3.445 2.544 209 HE ARG 31 HE ARG 31 9.251 6.121 2.850 210 HB2 ARG 31 2HB ARG 31 7.729 4.085 3.678 211 HB3 ARG 31 1HB ARG 31 8.525 2.574 3.262 212 HG2 ARG 31 2HG ARG 31 8.352 3.279 0.854 213 HG3 ARG 31 1HG ARG 31 7.851 4.864 1.445 214 HD2 ARG 31 2HD ARG 31 10.384 3.525 2.343 215 HD3 ARG 31 1HD ARG 31 10.315 4.561 0.920 216 HH11 ARG 31 1HH1 ARG 31 12.108 4.120 2.886 217 HH12 ARG 31 2HH1 ARG 31 13.098 5.307 3.686 218 HH21 ARG 31 2HH2 ARG 31 12.199 7.344 4.291 219 HH22 ARG 31 1HH2 ARG 31 10.533 7.697 3.933 220 H LYS 32 H LYS 32 7.541 0.406 2.426 221 HA LYS 32 HA LYS 32 7.950 0.169 -0.302 222 HB2 LYS 32 2HB LYS 32 7.330 -2.069 1.636 223 HB3 LYS 32 1HB LYS 32 8.129 -2.241 0.081 224 HG2 LYS 32 2HG LYS 32 10.057 -1.092 0.845 225 HG3 LYS 32 1HG LYS 32 9.239 -0.576 2.322 226 HD2 LYS 32 2HD LYS 32 9.019 -2.990 2.945 227 HD3 LYS 32 1HD LYS 32 10.039 -3.382 1.559 228 HE2 LYS 32 2HE LYS 32 11.868 -2.123 2.482 229 HE3 LYS 32 1HE LYS 32 10.848 -1.525 3.790 230 HZ1 LYS 32 3HZ LYS 32 12.238 -3.309 4.569 231 HZ2 LYS 32 1HZ LYS 32 11.669 -4.349 3.356 232 HZ3 LYS 32 2HZ LYS 32 10.621 -3.818 4.581 233 H ILE 33 H ILE 33 5.213 -1.138 1.586 234 HA ILE 33 HA ILE 33 3.902 -2.231 -0.674 235 HB ILE 33 HB ILE 33 1.968 -2.555 0.781 236 HG12 ILE 33 2HG1 ILE 33 3.549 -1.016 2.856 237 HG13 ILE 33 1HG1 ILE 33 2.108 -0.425 2.032 238 HG21 ILE 33 1HG2 ILE 33 3.075 -3.964 2.476 239 HG22 ILE 33 2HG2 ILE 33 4.614 -3.207 2.065 240 HG23 ILE 33 3HG2 ILE 33 3.757 -4.173 0.863 241 HD11 ILE 33 3HD1 ILE 33 1.593 -1.215 4.266 242 HD12 ILE 33 1HD1 ILE 33 2.242 -2.806 3.869 243 HD13 ILE 33 2HD1 ILE 33 0.798 -2.212 3.049 244 H ALA 34 H ALA 34 3.650 0.873 0.958 245 HA ALA 34 HA ALA 34 1.341 1.796 -0.394 246 HB1 ALA 34 3HB ALA 34 3.597 3.404 0.805 247 HB2 ALA 34 1HB ALA 34 2.164 2.839 1.664 248 HB3 ALA 34 2HB ALA 34 2.004 4.018 0.362 249 H THR 35 H THR 35 4.725 1.711 -1.211 250 HA THR 35 HA THR 35 4.762 3.589 -3.289 251 HB THR 35 HB THR 35 6.479 1.108 -3.029 252 HG1 THR 35 1HG THR 35 6.464 2.617 -1.187 253 HG21 THR 35 3HG2 THR 35 8.112 2.370 -4.343 254 HG22 THR 35 1HG2 THR 35 6.977 3.712 -4.481 255 HG23 THR 35 2HG2 THR 35 6.609 2.164 -5.243 256 H ALA 36 H ALA 36 3.642 0.294 -3.190 257 HA ALA 36 HA ALA 36 3.731 -0.428 -5.869 258 HB1 ALA 36 3HB ALA 36 1.593 -1.134 -3.865 259 HB2 ALA 36 1HB ALA 36 3.132 -1.970 -4.066 260 HB3 ALA 36 2HB ALA 36 1.939 -1.995 -5.365 261 H LEU 37 H LEU 37 1.608 1.823 -4.266 262 HA LEU 37 HA LEU 37 -0.485 1.909 -6.134 263 HG LEU 37 HG LEU 37 0.096 2.380 -2.962 264 HB2 LEU 37 2HB LEU 37 0.587 4.208 -4.498 265 HB3 LEU 37 1HB LEU 37 -1.013 4.077 -5.195 266 HD11 LEU 37 1HD1 LEU 37 -2.008 4.542 -3.001 267 HD12 LEU 37 2HD1 LEU 37 -0.416 4.629 -2.246 268 HD13 LEU 37 3HD1 LEU 37 -1.631 3.515 -1.620 269 HD21 LEU 37 3HD2 LEU 37 -1.419 1.091 -4.378 270 HD22 LEU 37 1HD2 LEU 37 -2.639 2.358 -4.247 271 HD23 LEU 37 2HD2 LEU 37 -2.166 1.438 -2.818 272 H LEU 38 H LEU 38 2.690 3.361 -6.097 273 HA LEU 38 HA LEU 38 2.177 5.237 -8.190 274 HG LEU 38 HG LEU 38 3.337 6.893 -6.774 275 HB2 LEU 38 2HB LEU 38 4.727 4.219 -6.943 276 HB3 LEU 38 1HB LEU 38 4.721 5.376 -8.258 277 HD11 LEU 38 1HD1 LEU 38 2.560 5.196 -5.187 278 HD12 LEU 38 2HD1 LEU 38 3.412 6.510 -4.375 279 HD13 LEU 38 3HD1 LEU 38 4.218 4.962 -4.631 280 HD21 LEU 38 3HD2 LEU 38 6.112 6.150 -5.867 281 HD22 LEU 38 1HD2 LEU 38 5.283 7.665 -5.510 282 HD23 LEU 38 2HD2 LEU 38 5.704 7.261 -7.175 283 H LYS 39 H LYS 39 2.988 1.900 -8.083 284 HA LYS 39 HA LYS 39 4.309 1.791 -10.623 285 HB2 LYS 39 2HB LYS 39 4.199 0.139 -8.455 286 HB3 LYS 39 1HB LYS 39 3.125 -0.688 -9.572 287 HG2 LYS 39 2HG LYS 39 5.873 0.170 -10.408 288 HG3 LYS 39 1HG LYS 39 5.602 -1.340 -9.545 289 HD2 LYS 39 2HD LYS 39 4.013 -2.016 -11.332 290 HD3 LYS 39 1HD LYS 39 4.436 -0.546 -12.212 291 HE2 LYS 39 2HE LYS 39 6.722 -1.253 -12.421 292 HE3 LYS 39 1HE LYS 39 6.440 -2.631 -11.360 293 HZ1 LYS 39 3HZ LYS 39 4.869 -3.483 -13.073 294 HZ2 LYS 39 1HZ LYS 39 6.477 -3.407 -13.594 295 HZ3 LYS 39 2HZ LYS 39 5.370 -2.236 -14.108 296 H THR 40 H THR 40 0.986 1.217 -9.491 297 HA THR 40 HA THR 40 0.175 1.058 -12.301 298 HB THR 40 HB THR 40 0.518 -1.263 -11.584 299 HG1 THR 40 1HG THR 40 -1.729 -0.227 -12.634 300 HG21 THR 40 3HG2 THR 40 -0.983 -2.276 -9.926 301 HG22 THR 40 1HG2 THR 40 -1.659 -0.687 -9.568 302 HG23 THR 40 2HG2 THR 40 0.032 -1.028 -9.204 303 H ALA 41 H ALA 41 -0.687 1.855 -9.017 304 HA ALA 41 HA ALA 41 -3.508 2.046 -9.554 305 HB1 ALA 41 3HB ALA 41 -1.920 3.012 -7.175 306 HB2 ALA 41 1HB ALA 41 -2.731 1.454 -7.325 307 HB3 ALA 41 2HB ALA 41 -3.680 2.939 -7.283 308 H ILE 42 H ILE 42 -0.776 4.214 -9.432 309 HA ILE 42 HA ILE 42 -2.512 6.393 -10.411 310 HB ILE 42 HB ILE 42 0.088 6.850 -8.956 311 HG12 ILE 42 2HG1 ILE 42 -1.438 5.650 -7.410 312 HG13 ILE 42 1HG1 ILE 42 -1.133 7.307 -6.895 313 HG21 ILE 42 1HG2 ILE 42 -0.727 8.681 -10.328 314 HG22 ILE 42 2HG2 ILE 42 -0.820 9.100 -8.616 315 HG23 ILE 42 3HG2 ILE 42 -2.278 8.636 -9.493 316 HD11 ILE 42 3HD1 ILE 42 -3.610 6.271 -8.261 317 HD12 ILE 42 1HD1 ILE 42 -3.310 7.959 -7.845 318 HD13 ILE 42 2HD1 ILE 42 -3.448 6.752 -6.570 319 H GLU 43 H GLU 43 -2.115 5.939 -12.602 320 HA GLU 43 HA GLU 43 0.525 6.723 -13.523 321 HB2 GLU 43 2HB GLU 43 0.861 4.799 -14.937 322 HB3 GLU 43 1HB GLU 43 0.645 4.256 -13.279 323 HG2 GLU 43 2HG GLU 43 -1.592 3.532 -13.740 324 HG3 GLU 43 1HG GLU 43 -1.545 4.258 -15.347 325 H ILE 44 H ILE 44 0.568 6.853 -15.958 326 HA ILE 44 HA ILE 44 -1.928 8.033 -16.882 327 HB ILE 44 HB ILE 44 -0.518 8.867 -18.776 328 HG12 ILE 44 2HG1 ILE 44 1.791 7.921 -17.073 329 HG13 ILE 44 1HG1 ILE 44 1.267 7.133 -18.556 330 HG21 ILE 44 1HG2 ILE 44 0.581 10.618 -17.453 331 HG22 ILE 44 2HG2 ILE 44 0.332 9.653 -15.998 332 HG23 ILE 44 3HG2 ILE 44 -1.055 10.284 -16.885 333 HD11 ILE 44 3HD1 ILE 44 1.802 9.130 -19.828 334 HD12 ILE 44 1HD1 ILE 44 3.203 8.566 -18.917 335 HD13 ILE 44 2HD1 ILE 44 2.281 9.956 -18.345 336 H VAL 45 H VAL 45 -3.239 6.875 -18.123 337 HA VAL 45 HA VAL 45 -2.211 4.556 -19.551 338 HB VAL 45 HB VAL 45 -4.538 4.081 -20.140 339 HG11 VAL 45 1HG1 VAL 45 -5.374 3.617 -17.895 340 HG12 VAL 45 2HG1 VAL 45 -4.179 4.725 -17.219 341 HG13 VAL 45 3HG1 VAL 45 -3.656 3.250 -18.030 342 HG21 VAL 45 3HG2 VAL 45 -5.178 6.627 -18.655 343 HG22 VAL 45 1HG2 VAL 45 -6.366 5.444 -19.205 344 HG23 VAL 45 2HG2 VAL 45 -5.397 6.333 -20.379 345 H SER 46 H SER 46 -2.036 4.402 -21.725 346 HA SER 46 HA SER 46 -1.896 6.942 -23.117 347 HG SER 46 HG SER 46 -0.013 4.380 -22.307 348 HB2 SER 46 2HB SER 46 -1.145 4.233 -24.209 349 HB3 SER 46 1HB SER 46 -0.533 5.811 -24.700 350 H GLU 47 H GLU 47 -3.249 7.593 -24.708 351 HA GLU 47 HA GLU 47 -5.504 5.957 -25.461 352 HB2 GLU 47 2HB GLU 47 -4.477 8.623 -26.447 353 HB3 GLU 47 1HB GLU 47 -5.911 7.846 -27.102 354 HG2 GLU 47 2HG GLU 47 -5.534 8.677 -24.235 355 HG3 GLU 47 1HG GLU 47 -6.459 9.558 -25.451 356 H GLU 48 H GLU 48 -5.934 5.299 -27.695 357 HA GLU 48 HA GLU 48 -3.706 4.093 -28.961 358 HB2 GLU 48 2HB GLU 48 -6.130 3.379 -29.178 359 HB3 GLU 48 1HB GLU 48 -6.356 4.742 -30.267 360 HG2 GLU 48 2HG GLU 48 -4.660 3.815 -31.767 361 HG3 GLU 48 1HG GLU 48 -4.462 2.440 -30.682 362 H ASP 49 H ASP 49 -5.482 7.060 -29.442 363 HA ASP 49 HA ASP 49 -3.104 8.378 -30.316 364 HB2 ASP 49 2HB ASP 49 -3.905 7.455 -32.479 365 HB3 ASP 49 1HB ASP 49 -5.435 8.302 -32.248 366 H GLY 50 H GLY 50 -3.143 10.376 -29.481 367 HA2 GLY 50 2HA GLY 50 -4.755 12.415 -29.540 368 HA3 GLY 50 1HA GLY 50 -5.727 11.384 -28.501 369 H GLY 51 H GLY 51 -3.451 10.223 -27.127 370 HA2 GLY 51 2HA GLY 51 -1.505 11.635 -26.070 371 HA3 GLY 51 1HA GLY 51 -2.882 12.452 -25.342 372 H ALA 52 H ALA 52 -2.752 11.873 -23.287 373 HA ALA 52 HA ALA 52 -3.058 9.075 -22.577 374 HB1 ALA 52 3HB ALA 52 -0.826 10.746 -21.414 375 HB2 ALA 52 1HB ALA 52 -0.620 9.448 -22.591 376 HB3 ALA 52 2HB ALA 52 -1.231 9.085 -20.978 377 H HIS 53 H HIS 53 -3.748 8.778 -20.372 378 HA HIS 53 HA HIS 53 -4.866 11.216 -19.137 379 HD1 HIS 53 1HD HIS 53 -8.024 11.752 -19.318 380 HD2 HIS 53 2HD HIS 53 -6.550 9.234 -22.272 381 HE1 HIS 53 1HE HIS 53 -9.015 12.581 -21.460 382 HE2 HIS 53 2HE HIS 53 -8.304 10.902 -23.201 383 HB2 HIS 53 2HB HIS 53 -6.192 8.537 -19.551 384 HB3 HIS 53 1HB HIS 53 -6.785 9.726 -18.397 385 H ASN 54 H ASN 54 -4.124 11.497 -17.133 386 HA ASN 54 HA ASN 54 -2.872 9.292 -15.712 387 HB2 ASN 54 2HB ASN 54 -1.882 11.592 -15.691 388 HB3 ASN 54 1HB ASN 54 -3.301 12.156 -14.816 389 HD21 ASN 54 2HD2 ASN 54 -1.343 11.653 -11.972 390 HD22 ASN 54 1HD2 ASN 54 -2.007 12.800 -13.080 391 H GLN 55 H GLN 55 -4.064 7.954 -14.483 392 HA GLN 55 HA GLN 55 -6.638 8.995 -13.485 393 HB2 GLN 55 2HB GLN 55 -6.157 6.141 -14.324 394 HB3 GLN 55 1HB GLN 55 -7.691 6.908 -13.950 395 HG2 GLN 55 2HG GLN 55 -7.299 8.385 -15.958 396 HG3 GLN 55 1HG GLN 55 -5.964 7.311 -16.373 397 HE21 GLN 55 2HE2 GLN 55 -8.015 4.652 -17.420 398 HE22 GLN 55 1HE2 GLN 55 -6.449 5.096 -16.839 399 H CYS 56 H CYS 56 -7.326 8.351 -11.501 400 HA CYS 56 HA CYS 56 -5.548 6.566 -9.968 401 HG CYS 56 HG CYS 56 -4.418 9.043 -9.957 402 HB2 CYS 56 2HB CYS 56 -7.451 8.703 -8.963 403 HB3 CYS 56 1HB CYS 56 -6.528 7.610 -7.936 404 H LYS 57 H LYS 57 -6.390 4.587 -10.226 405 HA LYS 57 HA LYS 57 -9.117 4.115 -10.839 406 HB2 LYS 57 2HB LYS 57 -7.016 2.710 -11.394 407 HB3 LYS 57 1HB LYS 57 -7.235 2.013 -9.796 408 HG2 LYS 57 2HG LYS 57 -8.523 0.513 -10.825 409 HG3 LYS 57 1HG LYS 57 -9.740 1.789 -10.868 410 HD2 LYS 57 2HD LYS 57 -7.725 1.247 -13.053 411 HD3 LYS 57 1HD LYS 57 -9.400 0.693 -13.066 412 HE2 LYS 57 2HE LYS 57 -10.156 3.026 -12.989 413 HE3 LYS 57 1HE LYS 57 -8.477 3.563 -12.996 414 HZ1 LYS 57 3HZ LYS 57 -8.181 2.621 -15.183 415 HZ2 LYS 57 1HZ LYS 57 -9.525 3.658 -15.197 416 HZ3 LYS 57 2HZ LYS 57 -9.754 1.978 -15.170 417 H LEU 58 H LEU 58 -7.499 4.602 -7.899 418 HA LEU 58 HA LEU 58 -9.284 3.074 -6.225 419 HG LEU 58 HG LEU 58 -7.564 2.177 -4.628 420 HB2 LEU 58 2HB LEU 58 -6.979 4.918 -5.757 421 HB3 LEU 58 1HB LEU 58 -8.068 4.571 -4.430 422 HD11 LEU 58 1HD1 LEU 58 -5.800 1.376 -6.073 423 HD12 LEU 58 2HD1 LEU 58 -5.570 2.997 -6.730 424 HD13 LEU 58 3HD1 LEU 58 -7.073 2.127 -7.036 425 HD21 LEU 58 3HD2 LEU 58 -5.147 3.959 -4.407 426 HD22 LEU 58 1HD2 LEU 58 -5.229 2.286 -3.858 427 HD23 LEU 58 2HD2 LEU 58 -6.247 3.511 -3.104 428 H CYS 59 H CYS 59 -10.166 5.468 -7.992 429 HA CYS 59 HA CYS 59 -12.107 6.469 -6.138 430 HG CYS 59 HG CYS 59 -13.067 9.151 -6.548 431 HB2 CYS 59 2HB CYS 59 -10.118 7.886 -5.614 432 HB3 CYS 59 1HB CYS 59 -10.119 8.445 -7.283 433 H GLY 60 H GLY 60 -10.538 6.747 -9.290 434 HA2 GLY 60 2HA GLY 60 -11.808 6.489 -11.317 435 HA3 GLY 60 1HA GLY 60 -13.198 7.177 -10.485 436 H ALA 61 H ALA 61 -10.467 8.833 -9.617 437 HA ALA 61 HA ALA 61 -11.177 11.155 -11.125 438 HB1 ALA 61 3HB ALA 61 -9.309 12.224 -9.979 439 HB2 ALA 61 1HB ALA 61 -8.743 10.656 -9.408 440 HB3 ALA 61 2HB ALA 61 -10.281 11.300 -8.835 441 H SER 62 H SER 62 -10.193 12.001 -12.904 442 HA SER 62 HA SER 62 -7.784 10.780 -13.955 443 HG SER 62 HG SER 62 -9.441 9.024 -13.781 444 HB2 SER 62 2HB SER 62 -10.345 10.806 -15.577 445 HB3 SER 62 1HB SER 62 -8.778 10.179 -16.090 446 H VAL 63 H VAL 63 -6.542 12.313 -14.819 447 HA VAL 63 HA VAL 63 -7.838 14.720 -15.916 448 HB VAL 63 HB VAL 63 -6.806 15.026 -13.573 449 HG11 VAL 63 1HG1 VAL 63 -4.390 15.469 -13.520 450 HG12 VAL 63 2HG1 VAL 63 -4.262 14.885 -15.180 451 HG13 VAL 63 3HG1 VAL 63 -4.759 13.784 -13.895 452 HG21 VAL 63 3HG2 VAL 63 -7.426 16.908 -14.977 453 HG22 VAL 63 1HG2 VAL 63 -5.876 16.813 -15.813 454 HG23 VAL 63 2HG2 VAL 63 -5.930 17.247 -14.104 455 HA PRO 64 HA PRO 64 -5.290 14.117 -19.569 456 HB2 PRO 64 1HB PRO 64 -5.286 16.141 -20.690 457 HB3 PRO 64 2HB PRO 64 -4.862 17.057 -19.237 458 HG2 PRO 64 2HG PRO 64 -7.135 17.539 -19.383 459 HG3 PRO 64 1HG PRO 64 -7.514 15.954 -20.084 460 HD2 PRO 64 2HD PRO 64 -7.096 16.719 -17.237 461 HD3 PRO 64 1HD PRO 64 -8.140 15.463 -17.932 462 H TRP 65 H TRP 65 -3.154 13.736 -19.887 463 HA TRP 65 HA TRP 65 -1.442 13.691 -17.664 464 HD1 TRP 65 HD TRP 65 -2.397 13.701 -21.871 465 HE1 TRP 65 1HE TRP 65 -1.095 14.609 -23.899 466 HE3 TRP 65 3HE TRP 65 2.342 13.501 -19.958 467 HZ2 TRP 65 2HZ TRP 65 1.582 15.153 -24.599 468 HZ3 TRP 65 3HZ TRP 65 4.216 14.236 -21.372 469 HH2 TRP 65 HH TRP 65 3.843 15.042 -23.645 470 HB2 TRP 65 2HB TRP 65 0.192 12.758 -19.124 471 HB3 TRP 65 1HB TRP 65 -1.369 12.178 -19.693 472 H LEU 66 H LEU 66 0.775 14.617 -17.643 473 HA LEU 66 HA LEU 66 2.356 16.227 -17.848 474 HG LEU 66 HG LEU 66 3.260 18.261 -19.019 475 HB2 LEU 66 2HB LEU 66 1.777 16.388 -20.224 476 HB3 LEU 66 1HB LEU 66 0.495 17.517 -19.841 477 HD11 LEU 66 1HD1 LEU 66 3.727 19.162 -21.246 478 HD12 LEU 66 2HD1 LEU 66 2.261 18.399 -21.862 479 HD13 LEU 66 3HD1 LEU 66 3.593 17.405 -21.275 480 HD21 LEU 66 3HD2 LEU 66 2.452 20.490 -19.628 481 HD22 LEU 66 1HD2 LEU 66 1.358 19.707 -18.489 482 HD23 LEU 66 2HD2 LEU 66 0.939 19.788 -20.200 483 H GLN 67 H GLN 67 -0.971 17.432 -17.616 484 HA GLN 67 HA GLN 67 -0.107 19.657 -15.962 485 HB2 GLN 67 2HB GLN 67 -1.957 19.864 -17.645 486 HB3 GLN 67 1HB GLN 67 -2.926 18.794 -16.642 487 HG2 GLN 67 2HG GLN 67 -3.036 20.376 -14.892 488 HG3 GLN 67 1HG GLN 67 -1.782 21.375 -15.620 489 HE21 GLN 67 2HE2 GLN 67 -5.165 21.398 -17.860 490 HE22 GLN 67 1HE2 GLN 67 -4.341 19.924 -17.482 491 H THR 68 H THR 68 -1.017 20.000 -13.796 492 HA THR 68 HA THR 68 -0.710 17.548 -12.286 493 HB THR 68 HB THR 68 -1.145 20.278 -11.092 494 HG1 THR 68 1HG THR 68 1.118 19.231 -12.439 495 HG21 THR 68 3HG2 THR 68 -1.100 18.363 -9.570 496 HG22 THR 68 1HG2 THR 68 0.320 19.382 -9.335 497 HG23 THR 68 2HG2 THR 68 0.459 17.867 -10.228 498 H GLY 69 H GLY 69 -3.135 20.144 -12.600 499 HA2 GLY 69 2HA GLY 69 -5.389 20.168 -12.107 500 HA3 GLY 69 1HA GLY 69 -5.333 18.410 -12.102 501 H ASP 70 H ASP 70 -4.086 21.084 -10.114 502 HA ASP 70 HA ASP 70 -3.787 21.342 -7.884 503 HB2 ASP 70 2HB ASP 70 -6.204 19.539 -7.816 504 HB3 ASP 70 1HB ASP 70 -5.430 20.103 -6.341 505 H GLU 71 H GLU 71 -4.914 18.069 -7.455 506 HA GLU 71 HA GLU 71 -2.204 17.010 -7.468 507 HB2 GLU 71 2HB GLU 71 -4.102 16.926 -5.131 508 HB3 GLU 71 1HB GLU 71 -2.875 15.693 -5.348 509 HG2 GLU 71 2HG GLU 71 -1.171 17.528 -5.376 510 HG3 GLU 71 1HG GLU 71 -2.461 18.634 -4.907 511 H ILE 72 H ILE 72 -4.240 16.818 -9.343 512 HA ILE 72 HA ILE 72 -5.106 15.288 -10.758 513 HB ILE 72 HB ILE 72 -3.363 13.694 -9.377 514 HG12 ILE 72 2HG1 ILE 72 -3.906 13.725 -11.830 515 HG13 ILE 72 1HG1 ILE 72 -3.608 12.125 -11.164 516 HG21 ILE 72 1HG2 ILE 72 -6.074 12.409 -9.135 517 HG22 ILE 72 2HG2 ILE 72 -5.029 12.916 -7.808 518 HG23 ILE 72 3HG2 ILE 72 -4.532 11.595 -8.867 519 HD11 ILE 72 3HD1 ILE 72 -6.003 11.692 -11.110 520 HD12 ILE 72 1HD1 ILE 72 -5.468 12.123 -12.734 521 HD13 ILE 72 2HD1 ILE 72 -6.315 13.309 -11.741 522 H LYS 73 H LYS 73 -6.238 16.250 -7.935 523 HA LYS 73 HA LYS 73 -8.299 16.491 -7.015 524 HB2 LYS 73 2HB LYS 73 -8.948 16.442 -9.545 525 HB3 LYS 73 1HB LYS 73 -9.533 14.825 -9.190 526 HG2 LYS 73 2HG LYS 73 -11.391 16.260 -9.028 527 HG3 LYS 73 1HG LYS 73 -10.936 15.861 -7.368 528 HD2 LYS 73 2HD LYS 73 -9.812 17.975 -7.120 529 HD3 LYS 73 1HD LYS 73 -10.078 18.360 -8.822 530 HE2 LYS 73 2HE LYS 73 -12.519 18.315 -8.403 531 HE3 LYS 73 1HE LYS 73 -12.191 18.052 -6.689 532 HZ1 LYS 73 3HZ LYS 73 -11.052 20.163 -6.601 533 HZ2 LYS 73 1HZ LYS 73 -12.618 20.392 -7.208 534 HZ3 LYS 73 2HZ LYS 73 -11.288 20.409 -8.260 535 H HIS 74 H HIS 74 -8.765 15.413 -5.190 536 HA HIS 74 HA HIS 74 -9.098 12.507 -5.374 537 HD1 HIS 74 1HD HIS 74 -7.147 10.311 -3.549 538 HD2 HIS 74 2HD HIS 74 -5.646 13.197 -6.132 539 HE1 HIS 74 1HE HIS 74 -5.507 9.105 -5.028 540 HE2 HIS 74 2HE HIS 74 -4.802 10.825 -6.727 541 HB2 HIS 74 2HB HIS 74 -7.087 13.955 -3.747 542 HB3 HIS 74 1HB HIS 74 -7.913 12.607 -2.970 543 H ALA 75 H ALA 75 -10.566 11.604 -4.096 544 HA ALA 75 HA ALA 75 -12.314 13.347 -2.569 545 HB1 ALA 75 3HB ALA 75 -13.288 11.726 -4.133 546 HB2 ALA 75 1HB ALA 75 -13.792 11.402 -2.474 547 HB3 ALA 75 2HB ALA 75 -12.546 10.407 -3.227 548 H ASP 76 H ASP 76 -13.098 12.447 -0.427 549 HA ASP 76 HA ASP 76 -10.822 12.268 1.278 550 HB2 ASP 76 2HB ASP 76 -13.745 11.974 1.989 551 HB3 ASP 76 1HB ASP 76 -12.430 12.342 3.091 552 H ASP 77 H ASP 77 -13.007 9.978 -0.109 553 HA ASP 77 HA ASP 77 -12.759 8.036 1.991 554 HB2 ASP 77 2HB ASP 77 -14.811 8.281 0.651 555 HB3 ASP 77 1HB ASP 77 -13.937 7.736 -0.774 556 H CYS 78 H CYS 78 -10.744 8.822 -0.616 557 HA CYS 78 HA CYS 78 -10.009 6.117 -1.281 558 HG CYS 78 HG CYS 78 -9.150 10.105 -1.307 559 HB2 CYS 78 2HB CYS 78 -8.358 7.120 -2.781 560 HB3 CYS 78 1HB CYS 78 -9.933 7.870 -3.001 561 HA PRO 79 HA PRO 79 -7.150 5.606 2.048 562 HB2 PRO 79 1HB PRO 79 -6.775 3.367 1.982 563 HB3 PRO 79 2HB PRO 79 -5.931 3.479 0.436 564 HG2 PRO 79 2HG PRO 79 -7.852 2.431 -0.296 565 HG3 PRO 79 1HG PRO 79 -8.843 3.145 0.989 566 HD2 PRO 79 2HD PRO 79 -7.916 4.362 -1.587 567 HD3 PRO 79 1HD PRO 79 -9.501 4.479 -0.791 568 H VAL 80 H VAL 80 -6.393 6.742 -0.961 569 HA VAL 80 HA VAL 80 -3.570 6.553 -0.996 570 HB VAL 80 HB VAL 80 -5.280 8.685 -2.291 571 HG11 VAL 80 1HG1 VAL 80 -2.533 7.645 -2.969 572 HG12 VAL 80 2HG1 VAL 80 -2.911 9.222 -2.275 573 HG13 VAL 80 3HG1 VAL 80 -3.444 8.826 -3.908 574 HG21 VAL 80 3HG2 VAL 80 -6.084 6.464 -2.906 575 HG22 VAL 80 1HG2 VAL 80 -4.451 5.996 -3.378 576 HG23 VAL 80 2HG2 VAL 80 -5.301 7.254 -4.275 577 H VAL 81 H VAL 81 -5.849 8.803 0.464 578 HA VAL 81 HA VAL 81 -4.102 10.948 0.895 579 HB VAL 81 HB VAL 81 -5.658 11.632 2.720 580 HG11 VAL 81 1HG1 VAL 81 -6.939 10.810 0.118 581 HG12 VAL 81 2HG1 VAL 81 -6.051 12.305 0.417 582 HG13 VAL 81 3HG1 VAL 81 -7.578 12.007 1.245 583 HG21 VAL 81 3HG2 VAL 81 -6.306 9.428 3.533 584 HG22 VAL 81 1HG2 VAL 81 -7.107 9.088 2.000 585 HG23 VAL 81 2HG2 VAL 81 -7.725 10.361 3.055 586 H ILE 82 H ILE 82 -4.802 8.158 2.967 587 HA ILE 82 HA ILE 82 -3.053 9.049 5.055 588 HB ILE 82 HB ILE 82 -4.965 7.622 5.555 589 HG12 ILE 82 2HG1 ILE 82 -3.808 5.937 6.987 590 HG13 ILE 82 1HG1 ILE 82 -2.301 6.340 6.172 591 HG21 ILE 82 1HG2 ILE 82 -4.952 5.231 5.009 592 HG22 ILE 82 2HG2 ILE 82 -3.528 5.495 4.001 593 HG23 ILE 82 3HG2 ILE 82 -5.060 6.263 3.584 594 HD11 ILE 82 3HD1 ILE 82 -3.976 8.242 7.794 595 HD12 ILE 82 1HD1 ILE 82 -2.445 8.617 7.001 596 HD13 ILE 82 2HD1 ILE 82 -2.490 7.453 8.327 597 H ALA 83 H ALA 83 -2.844 6.778 2.394 598 HA ALA 83 HA ALA 83 -0.436 5.530 2.981 599 HB1 ALA 83 3HB ALA 83 -1.519 6.231 0.254 600 HB2 ALA 83 1HB ALA 83 -1.928 4.797 1.196 601 HB3 ALA 83 2HB ALA 83 -0.283 5.020 0.600 602 H LYS 84 H LYS 84 -0.965 8.472 1.041 603 HA LYS 84 HA LYS 84 1.669 9.030 0.351 604 HB2 LYS 84 2HB LYS 84 -0.486 11.012 1.088 605 HB3 LYS 84 1HB LYS 84 0.985 11.388 0.208 606 HG2 LYS 84 2HG LYS 84 0.258 9.916 -1.608 607 HG3 LYS 84 1HG LYS 84 -1.244 9.603 -0.727 608 HD2 LYS 84 2HD LYS 84 -1.712 11.317 -2.292 609 HD3 LYS 84 1HD LYS 84 -1.624 12.089 -0.717 610 HE2 LYS 84 2HE LYS 84 0.671 12.788 -1.176 611 HE3 LYS 84 1HE LYS 84 0.600 12.010 -2.755 612 HZ1 LYS 84 3HZ LYS 84 -1.147 13.547 -3.402 613 HZ2 LYS 84 1HZ LYS 84 0.234 14.395 -2.908 614 HZ3 LYS 84 2HZ LYS 84 -1.104 14.283 -1.876 615 H GLN 85 H GLN 85 -0.156 10.210 3.132 616 HA GLN 85 HA GLN 85 1.729 11.720 4.410 617 HB2 GLN 85 2HB GLN 85 -0.415 9.928 5.525 618 HB3 GLN 85 1HB GLN 85 0.553 10.977 6.536 619 HG2 GLN 85 2HG GLN 85 -0.275 12.928 5.346 620 HG3 GLN 85 1HG GLN 85 -1.219 11.882 4.282 621 HE21 GLN 85 2HE2 GLN 85 -3.819 11.352 6.557 622 HE22 GLN 85 1HE2 GLN 85 -3.065 10.887 5.065 623 H ILE 86 H ILE 86 1.396 8.202 4.500 624 HA ILE 86 HA ILE 86 3.376 7.856 6.536 625 HB ILE 86 HB ILE 86 2.142 5.863 4.641 626 HG12 ILE 86 2HG1 ILE 86 1.578 6.445 7.556 627 HG13 ILE 86 1HG1 ILE 86 0.560 6.940 6.211 628 HG21 ILE 86 1HG2 ILE 86 4.299 5.058 5.402 629 HG22 ILE 86 2HG2 ILE 86 3.005 4.150 6.185 630 HG23 ILE 86 3HG2 ILE 86 3.864 5.403 7.077 631 HD11 ILE 86 3HD1 ILE 86 1.148 4.113 7.047 632 HD12 ILE 86 1HD1 ILE 86 0.173 4.584 5.655 633 HD13 ILE 86 2HD1 ILE 86 -0.362 4.991 7.286 634 H LEU 87 H LEU 87 3.340 7.286 3.010 635 HA LEU 87 HA LEU 87 6.024 6.328 2.994 636 HG LEU 87 HG LEU 87 3.315 7.890 1.004 637 HB2 LEU 87 2HB LEU 87 5.830 6.333 0.556 638 HB3 LEU 87 1HB LEU 87 4.467 5.552 1.327 639 HD11 LEU 87 1HD1 LEU 87 5.440 7.942 -1.135 640 HD12 LEU 87 2HD1 LEU 87 5.270 9.081 0.202 641 HD13 LEU 87 3HD1 LEU 87 4.036 9.006 -1.056 642 HD21 LEU 87 3HD2 LEU 87 2.599 5.778 0.006 643 HD22 LEU 87 1HD2 LEU 87 3.788 5.979 -1.281 644 HD23 LEU 87 2HD2 LEU 87 2.446 7.116 -1.135 645 H SER 88 H SER 88 4.679 9.478 2.954 646 HA SER 88 HA SER 88 7.032 10.643 1.704 647 HG SER 88 HG SER 88 3.960 10.714 1.090 648 HB2 SER 88 2HB SER 88 4.561 11.999 2.798 649 HB3 SER 88 1HB SER 88 5.805 12.733 1.797 650 H SER 89 H SER 89 5.444 10.478 4.847 651 HA SER 89 HA SER 89 6.015 11.182 6.927 652 HG SER 89 HG SER 89 7.840 9.184 5.541 653 HB2 SER 89 2HB SER 89 8.846 11.209 5.844 654 HB3 SER 89 1HB SER 89 8.371 11.131 7.543 655 H ARG 90 H ARG 90 5.516 13.053 4.678 656 HA ARG 90 HA ARG 90 7.089 15.414 5.253 657 HE ARG 90 HE ARG 90 8.605 15.915 2.914 658 HB2 ARG 90 2HB ARG 90 6.186 14.607 2.955 659 HB3 ARG 90 1HB ARG 90 4.648 15.264 3.488 660 HG2 ARG 90 2HG ARG 90 5.257 17.314 2.917 661 HG3 ARG 90 1HG ARG 90 6.747 17.196 3.858 662 HD2 ARG 90 2HD ARG 90 6.353 16.115 1.065 663 HD3 ARG 90 1HD ARG 90 7.183 17.618 1.469 664 HH11 ARG 90 1HH1 ARG 90 7.453 15.564 -0.387 665 HH12 ARG 90 2HH1 ARG 90 8.791 14.568 -0.869 666 HH21 ARG 90 2HH2 ARG 90 10.440 14.025 0.625 667 HH22 ARG 90 1HH2 ARG 90 10.336 14.569 2.275 668 HA PRO 91 HA PRO 91 5.061 17.306 8.627 669 HB2 PRO 91 1HB PRO 91 4.886 19.578 8.210 670 HB3 PRO 91 2HB PRO 91 4.254 19.334 6.579 671 HG2 PRO 91 2HG PRO 91 6.417 19.664 5.928 672 HG3 PRO 91 1HG PRO 91 7.045 19.320 7.548 673 HD2 PRO 91 2HD PRO 91 6.933 17.557 5.285 674 HD3 PRO 91 1HD PRO 91 7.521 17.194 6.918 675 H LYS 92 H LYS 92 3.380 16.095 9.230 676 HA LYS 92 HA LYS 92 0.925 16.056 7.659 677 HB2 LYS 92 2HB LYS 92 1.696 14.556 10.172 678 HB3 LYS 92 1HB LYS 92 0.201 14.326 9.275 679 HG2 LYS 92 2HG LYS 92 1.377 13.467 7.387 680 HG3 LYS 92 1HG LYS 92 2.934 13.891 8.097 681 HD2 LYS 92 2HD LYS 92 2.516 11.505 8.322 682 HD3 LYS 92 1HD LYS 92 2.535 12.277 9.908 683 HE2 LYS 92 2HE LYS 92 0.120 12.262 9.986 684 HE3 LYS 92 1HE LYS 92 0.037 11.616 8.348 685 HZ1 LYS 92 3HZ LYS 92 -0.289 9.891 10.023 686 HZ2 LYS 92 1HZ LYS 92 1.234 10.220 10.687 687 HZ3 LYS 92 2HZ LYS 92 1.108 9.599 9.120 688 H LEU 93 H LEU 93 -0.029 18.019 7.959 689 HA LEU 93 HA LEU 93 -0.220 19.230 10.561 690 HG LEU 93 HG LEU 93 -2.662 21.045 9.863 691 HB2 LEU 93 2HB LEU 93 0.017 20.593 8.540 692 HB3 LEU 93 1HB LEU 93 -1.510 19.980 7.937 693 HD11 LEU 93 1HD1 LEU 93 -0.836 21.097 11.448 694 HD12 LEU 93 2HD1 LEU 93 -1.446 22.730 11.171 695 HD13 LEU 93 3HD1 LEU 93 0.060 22.209 10.414 696 HD21 LEU 93 3HD2 LEU 93 -1.001 22.883 8.148 697 HD22 LEU 93 1HD2 LEU 93 -2.450 23.343 9.043 698 HD23 LEU 93 2HD2 LEU 93 -2.561 22.182 7.721 699 H HIS 94 H HIS 94 -1.444 18.108 11.948 700 HA HIS 94 HA HIS 94 -3.345 17.613 13.077 701 HD1 HIS 94 1HD HIS 94 -5.404 18.784 14.424 702 HD2 HIS 94 2HD HIS 94 -7.328 17.723 10.893 703 HE1 HIS 94 1HE HIS 94 -7.747 18.146 15.094 704 HE2 HIS 94 2HE HIS 94 -8.928 17.612 12.928 705 HB2 HIS 94 2HB HIS 94 -4.299 19.649 12.068 706 HB3 HIS 94 1HB HIS 94 -4.815 18.710 10.672 707 H ALA 95 H ALA 95 -2.893 16.459 9.860 708 HA ALA 95 HA ALA 95 -3.194 14.443 8.879 709 HB1 ALA 95 3HB ALA 95 -4.173 13.480 11.565 710 HB2 ALA 95 1HB ALA 95 -2.505 13.422 10.995 711 HB3 ALA 95 2HB ALA 95 -3.748 12.467 10.186 712 H VAL 96 H VAL 96 -4.973 12.900 8.230 713 HA VAL 96 HA VAL 96 -7.451 14.458 8.040 714 HB VAL 96 HB VAL 96 -6.572 12.119 6.331 715 HG11 VAL 96 1HG1 VAL 96 -8.806 14.111 5.974 716 HG12 VAL 96 2HG1 VAL 96 -8.982 12.406 6.386 717 HG13 VAL 96 3HG1 VAL 96 -8.339 12.869 4.810 718 HG21 VAL 96 3HG2 VAL 96 -6.424 15.077 5.768 719 HG22 VAL 96 1HG2 VAL 96 -6.085 13.792 4.606 720 HG23 VAL 96 2HG2 VAL 96 -5.060 13.988 6.028 721 HA MET 1 HA MET 1 -12.944 -17.466 -1.350 722 H1 MET 1 1H MET 1 -12.187 -17.922 -3.545 723 H2 MET 1 2H MET 1 -11.187 -16.559 -3.555 724 H3 MET 1 3H MET 1 -12.874 -16.371 -3.545 725 HB2 MET 1 2HB MET 1 -9.944 -17.081 -1.504 726 HB3 MET 1 1HB MET 1 -10.840 -17.632 -0.096 727 HG2 MET 1 2HG MET 1 -11.511 -19.641 -1.297 728 HG3 MET 1 1HG MET 1 -10.631 -19.085 -2.720 729 HE1 MET 1 3HE MET 1 -9.349 -21.393 -2.812 730 HE2 MET 1 1HE MET 1 -10.181 -21.965 -1.371 731 HE3 MET 1 2HE MET 1 -8.421 -22.062 -1.469 732 H GLY 2 H GLY 2 -12.340 -16.149 0.701 733 HA2 GLY 2 2HA GLY 2 -11.606 -13.959 1.504 734 HA3 GLY 2 1HA GLY 2 -12.109 -13.292 -0.045 735 H SER 3 H SER 3 -14.487 -15.234 0.227 736 HA SER 3 HA SER 3 -16.316 -13.291 1.188 737 HG SER 3 HG SER 3 -16.196 -14.148 -1.061 738 HB2 SER 3 2HB SER 3 -16.863 -16.218 0.653 739 HB3 SER 3 1HB SER 3 -18.021 -14.888 0.611 740 H SER 4 H SER 4 -17.846 -13.557 2.934 741 HA SER 4 HA SER 4 -18.442 -13.928 5.091 742 HG SER 4 HG SER 4 -19.125 -17.316 4.577 743 HB2 SER 4 2HB SER 4 -16.918 -16.513 4.692 744 HB3 SER 4 1HB SER 4 -17.938 -16.159 6.087 745 H HIS 5 H HIS 5 -16.945 -15.231 7.187 746 HA HIS 5 HA HIS 5 -15.257 -14.909 8.679 747 HD1 HIS 5 1HD HIS 5 -13.830 -14.992 4.702 748 HD2 HIS 5 2HD HIS 5 -12.492 -16.373 8.386 749 HE1 HIS 5 1HE HIS 5 -12.763 -17.217 4.239 750 HE2 HIS 5 2HE HIS 5 -12.181 -18.136 6.514 751 HB2 HIS 5 2HB HIS 5 -13.936 -13.236 6.530 752 HB3 HIS 5 1HB HIS 5 -13.210 -13.629 8.085 753 H HIS 6 H HIS 6 -16.486 -12.152 6.936 754 HA HIS 6 HA HIS 6 -16.939 -10.016 7.489 755 HD1 HIS 6 1HD HIS 6 -18.114 -10.052 11.708 756 HD2 HIS 6 2HD HIS 6 -18.715 -13.635 9.685 757 HE1 HIS 6 1HE HIS 6 -18.414 -11.793 13.490 758 HE2 HIS 6 2HE HIS 6 -18.977 -13.906 12.249 759 HB2 HIS 6 2HB HIS 6 -18.626 -9.766 9.208 760 HB3 HIS 6 1HB HIS 6 -18.920 -11.210 8.256 761 H HIS 7 H HIS 7 -14.974 -9.074 7.742 762 HA HIS 7 HA HIS 7 -14.300 -8.482 10.549 763 HD1 HIS 7 1HD HIS 7 -11.078 -10.810 8.227 764 HD2 HIS 7 2HD HIS 7 -13.112 -10.088 11.790 765 HE1 HIS 7 1HE HIS 7 -10.725 -12.859 9.645 766 HE2 HIS 7 2HE HIS 7 -12.038 -12.443 11.758 767 HB2 HIS 7 2HB HIS 7 -12.486 -8.710 8.144 768 HB3 HIS 7 1HB HIS 7 -11.989 -7.908 9.631 769 H HIS 8 H HIS 8 -16.319 -7.223 9.171 770 HA HIS 8 HA HIS 8 -15.492 -4.697 8.097 771 HD1 HIS 8 1HD HIS 8 -18.639 -4.687 5.841 772 HD2 HIS 8 2HD HIS 8 -17.886 -2.311 9.178 773 HE1 HIS 8 1HE HIS 8 -19.415 -2.380 5.223 774 HE2 HIS 8 2HE HIS 8 -18.996 -0.962 7.262 775 HB2 HIS 8 2HB HIS 8 -17.688 -5.986 7.677 776 HB3 HIS 8 1HB HIS 8 -18.208 -5.388 9.242 777 H HIS 9 H HIS 9 -14.304 -3.468 9.511 778 HA HIS 9 HA HIS 9 -15.502 -2.671 12.032 779 HD1 HIS 9 1HD HIS 9 -11.464 -2.479 13.245 780 HD2 HIS 9 2HD HIS 9 -14.948 -3.730 15.165 781 HE1 HIS 9 1HE HIS 9 -11.229 -1.747 15.640 782 HE2 HIS 9 2HE HIS 9 -13.284 -2.617 16.810 783 HB2 HIS 9 2HB HIS 9 -14.367 -4.758 12.624 784 HB3 HIS 9 1HB HIS 9 -12.878 -4.174 11.893 785 H HIS 10 H HIS 10 -14.859 -0.671 12.656 786 HA HIS 10 HA HIS 10 -12.250 0.331 11.971 787 HD1 HIS 10 1HD HIS 10 -13.872 4.264 11.348 788 HD2 HIS 10 2HD HIS 10 -10.863 1.827 9.820 789 HE1 HIS 10 1HE HIS 10 -11.935 5.792 10.866 790 HE2 HIS 10 2HE HIS 10 -10.059 4.266 10.159 791 HB2 HIS 10 2HB HIS 10 -13.624 0.896 9.939 792 HB3 HIS 10 1HB HIS 10 -14.639 1.899 10.971 793 H SER 11 H SER 11 -11.578 1.123 13.830 794 HA SER 11 HA SER 11 -13.444 2.801 15.389 795 HG SER 11 HG SER 11 -14.029 0.731 16.166 796 HB2 SER 11 2HB SER 11 -11.264 0.988 16.461 797 HB3 SER 11 1HB SER 11 -12.301 2.035 17.432 798 H SER 12 H SER 12 -12.771 4.831 15.752 799 HA SER 12 HA SER 12 -10.027 5.507 14.947 800 HG SER 12 HG SER 12 -13.097 6.308 13.634 801 HB2 SER 12 2HB SER 12 -12.359 7.402 15.307 802 HB3 SER 12 1HB SER 12 -10.841 7.707 14.461 803 H GLY 13 H GLY 13 -8.630 6.484 16.355 804 HA2 GLY 13 2HA GLY 13 -9.103 8.072 18.504 805 HA3 GLY 13 1HA GLY 13 -9.325 6.453 19.153 806 H ARG 14 H ARG 14 -7.609 6.142 20.393 807 HA ARG 14 HA ARG 14 -5.477 5.813 21.069 808 HE ARG 14 HE ARG 14 -4.663 1.358 20.177 809 HB2 ARG 14 2HB ARG 14 -5.008 5.609 18.099 810 HB3 ARG 14 1HB ARG 14 -3.752 5.313 19.294 811 HG2 ARG 14 2HG ARG 14 -6.311 3.773 18.922 812 HG3 ARG 14 1HG ARG 14 -4.667 3.219 18.599 813 HD2 ARG 14 2HD ARG 14 -4.217 3.653 21.075 814 HD3 ARG 14 1HD ARG 14 -5.966 3.780 21.251 815 HH11 ARG 14 1HH1 ARG 14 -6.970 2.905 22.304 816 HH12 ARG 14 2HH1 ARG 14 -7.572 1.415 22.962 817 HH21 ARG 14 2HH2 ARG 14 -6.663 -0.593 22.266 818 HH22 ARG 14 1HH2 ARG 14 -5.402 -0.608 21.070 819 H GLU 15 H GLU 15 -3.041 6.724 19.667 820 HA GLU 15 HA GLU 15 -3.308 9.563 20.403 821 HB2 GLU 15 2HB GLU 15 -0.878 7.789 20.726 822 HB3 GLU 15 1HB GLU 15 -1.026 9.460 21.255 823 HG2 GLU 15 2HG GLU 15 -2.797 8.792 22.817 824 HG3 GLU 15 1HG GLU 15 -2.598 7.118 22.309 825 H ASN 16 H ASN 16 -1.118 10.725 19.558 826 HA ASN 16 HA ASN 16 -1.292 10.398 16.661 827 HB2 ASN 16 2HB ASN 16 -0.026 12.597 18.308 828 HB3 ASN 16 1HB ASN 16 -0.095 12.571 16.550 829 HD21 ASN 16 2HD2 ASN 16 -3.466 13.529 16.352 830 HD22 ASN 16 1HD2 ASN 16 -2.142 12.775 15.532 831 H LEU 17 H LEU 17 0.004 8.705 16.138 832 HA LEU 17 HA LEU 17 2.829 8.895 16.903 833 HG LEU 17 HG LEU 17 2.269 5.466 18.117 834 HB2 LEU 17 2HB LEU 17 1.076 6.561 16.225 835 HB3 LEU 17 1HB LEU 17 2.809 6.442 16.019 836 HD11 LEU 17 1HD1 LEU 17 4.294 6.793 18.112 837 HD12 LEU 17 2HD1 LEU 17 3.508 6.865 19.689 838 HD13 LEU 17 3HD1 LEU 17 3.377 8.226 18.576 839 HD21 LEU 17 3HD2 LEU 17 0.072 6.456 18.448 840 HD22 LEU 17 1HD2 LEU 17 0.819 8.015 18.805 841 HD23 LEU 17 2HD2 LEU 17 1.078 6.646 19.886 842 H TYR 18 H TYR 18 3.969 7.344 15.011 843 HA TYR 18 HA TYR 18 4.498 9.078 12.927 844 HD1 TYR 18 1HD TYR 18 4.767 6.878 10.138 845 HD2 TYR 18 2HD TYR 18 7.754 7.888 12.989 846 HE1 TYR 18 1HE TYR 18 6.346 7.348 8.311 847 HE2 TYR 18 2HE TYR 18 9.339 8.365 11.172 848 HH TYR 18 HH TYR 18 8.381 8.632 7.900 849 HB2 TYR 18 2HB TYR 18 5.772 6.978 13.737 850 HB3 TYR 18 1HB TYR 18 4.736 6.087 12.632 851 H PHE 19 H PHE 19 2.497 6.128 12.789 852 HA PHE 19 HA PHE 19 1.550 6.809 10.141 853 HD1 PHE 19 1HD PHE 19 2.698 5.063 8.866 854 HD2 PHE 19 2HD PHE 19 2.224 3.065 12.587 855 HE1 PHE 19 1HE PHE 19 4.758 3.788 8.438 856 HE2 PHE 19 2HE PHE 19 4.284 1.785 12.170 857 HZ PHE 19 HZ PHE 19 5.552 2.148 10.092 858 HB2 PHE 19 2HB PHE 19 0.644 4.554 11.940 859 HB3 PHE 19 1HB PHE 19 0.371 4.695 10.208 860 H GLN 20 H GLN 20 0.762 7.851 13.143 861 HA GLN 20 HA GLN 20 -1.034 8.834 14.131 862 HB2 GLN 20 2HB GLN 20 -1.679 9.770 11.949 863 HB3 GLN 20 1HB GLN 20 -2.495 8.271 11.536 864 HG2 GLN 20 2HG GLN 20 -4.181 9.770 12.174 865 HG3 GLN 20 1HG GLN 20 -3.980 8.670 13.536 866 HE21 GLN 20 2HE2 GLN 20 -4.162 12.295 14.566 867 HE22 GLN 20 1HE2 GLN 20 -5.091 11.349 13.456 868 H GLY 21 H GLY 21 -2.443 8.007 15.613 869 HA2 GLY 21 2HA GLY 21 -3.885 6.482 16.596 870 HA3 GLY 21 1HA GLY 21 -3.858 5.542 15.110 871 H MET 22 H MET 22 -2.280 3.977 14.801 872 HA MET 22 HA MET 22 -0.860 2.302 15.369 873 HB2 MET 22 2HB MET 22 0.683 4.243 15.758 874 HB3 MET 22 1HB MET 22 0.226 4.211 17.452 875 HG2 MET 22 2HG MET 22 1.294 2.163 17.820 876 HG3 MET 22 1HG MET 22 1.399 1.811 16.096 877 HE1 MET 22 3HE MET 22 3.132 2.859 14.465 878 HE2 MET 22 1HE MET 22 4.187 4.208 14.880 879 HE3 MET 22 2HE MET 22 2.439 4.444 14.814 880 H THR 23 H THR 23 -0.035 1.032 17.507 881 HA THR 23 HA THR 23 -0.696 -0.447 19.063 882 HB THR 23 HB THR 23 -1.919 0.474 21.067 883 HG1 THR 23 1HG THR 23 -2.414 2.499 19.353 884 HG21 THR 23 3HG2 THR 23 -0.040 1.866 21.799 885 HG22 THR 23 1HG2 THR 23 0.523 1.982 20.131 886 HG23 THR 23 2HG2 THR 23 0.517 0.421 20.954 887 H ASP 24 H ASP 24 -1.872 -1.825 17.868 888 HA ASP 24 HA ASP 24 -3.639 -3.117 17.308 889 HB2 ASP 24 2HB ASP 24 -5.222 -1.261 19.096 890 HB3 ASP 24 1HB ASP 24 -5.898 -2.677 18.302 891 H THR 25 H THR 25 -4.824 0.254 17.400 892 HA THR 25 HA THR 25 -6.476 0.037 15.148 893 HB THR 25 HB THR 25 -5.140 2.547 16.174 894 HG1 THR 25 1HG THR 25 -7.696 2.071 17.011 895 HG21 THR 25 3HG2 THR 25 -7.132 3.678 15.309 896 HG22 THR 25 1HG2 THR 25 -7.763 2.137 14.727 897 HG23 THR 25 2HG2 THR 25 -6.299 2.815 14.016 898 H ALA 26 H ALA 26 -3.055 0.433 15.390 899 HA ALA 26 HA ALA 26 -2.386 1.680 12.997 900 HB1 ALA 26 3HB ALA 26 -0.239 0.539 13.169 901 HB2 ALA 26 1HB ALA 26 -0.917 -0.575 14.357 902 HB3 ALA 26 2HB ALA 26 -0.763 1.139 14.744 903 H ALA 27 H ALA 27 -3.483 -1.584 13.595 904 HA ALA 27 HA ALA 27 -2.677 -2.643 11.067 905 HB1 ALA 27 3HB ALA 27 -2.992 -4.066 13.038 906 HB2 ALA 27 1HB ALA 27 -4.002 -4.591 11.689 907 HB3 ALA 27 2HB ALA 27 -4.714 -3.690 13.027 908 H GLU 28 H GLU 28 -5.407 -0.864 12.222 909 HA GLU 28 HA GLU 28 -7.341 -1.811 10.375 910 HB2 GLU 28 2HB GLU 28 -7.659 -0.561 12.618 911 HB3 GLU 28 1HB GLU 28 -7.422 0.899 11.667 912 HG2 GLU 28 2HG GLU 28 -9.564 0.870 11.154 913 HG3 GLU 28 1HG GLU 28 -9.311 -0.641 10.279 914 H ASP 29 H ASP 29 -5.380 1.167 10.468 915 HA ASP 29 HA ASP 29 -6.386 2.188 8.030 916 HB2 ASP 29 2HB ASP 29 -4.019 2.854 9.739 917 HB3 ASP 29 1HB ASP 29 -4.179 3.579 8.142 918 H VAL 30 H VAL 30 -3.390 0.424 8.790 919 HA VAL 30 HA VAL 30 -2.353 0.421 6.176 920 HB VAL 30 HB VAL 30 -1.978 -1.664 8.333 921 HG11 VAL 30 1HG1 VAL 30 -1.342 -2.514 6.137 922 HG12 VAL 30 2HG1 VAL 30 0.079 -2.251 7.147 923 HG13 VAL 30 3HG1 VAL 30 -0.326 -1.097 5.875 924 HG21 VAL 30 3HG2 VAL 30 -1.328 0.563 9.072 925 HG22 VAL 30 1HG2 VAL 30 -0.341 0.771 7.628 926 HG23 VAL 30 2HG2 VAL 30 0.102 -0.442 8.829 927 H ARG 31 H ARG 31 -4.634 -1.717 7.791 928 HA ARG 31 HA ARG 31 -4.882 -3.715 5.851 929 HE ARG 31 HE ARG 31 -7.151 -5.226 9.506 930 HB2 ARG 31 2HB ARG 31 -5.907 -3.614 8.187 931 HB3 ARG 31 1HB ARG 31 -7.167 -2.613 7.482 932 HG2 ARG 31 2HG ARG 31 -7.596 -4.510 5.872 933 HG3 ARG 31 1HG ARG 31 -6.536 -5.487 6.892 934 HD2 ARG 31 2HD ARG 31 -9.160 -4.206 7.609 935 HD3 ARG 31 1HD ARG 31 -8.733 -5.915 7.649 936 HH11 ARG 31 1HH1 ARG 31 -10.188 -3.597 8.860 937 HH12 ARG 31 2HH1 ARG 31 -10.331 -2.964 10.480 938 HH21 ARG 31 2HH2 ARG 31 -8.763 -3.422 12.045 939 HH22 ARG 31 1HH2 ARG 31 -7.393 -4.421 11.663 940 H LYS 32 H LYS 32 -6.520 -0.605 6.206 941 HA LYS 32 HA LYS 32 -8.348 -0.879 4.089 942 HB2 LYS 32 2HB LYS 32 -8.559 0.795 5.867 943 HB3 LYS 32 1HB LYS 32 -7.131 1.623 5.270 944 HG2 LYS 32 2HG LYS 32 -8.285 2.187 3.212 945 HG3 LYS 32 1HG LYS 32 -9.709 1.288 3.746 946 HD2 LYS 32 2HD LYS 32 -9.956 2.803 5.644 947 HD3 LYS 32 1HD LYS 32 -8.519 3.690 5.133 948 HE2 LYS 32 2HE LYS 32 -9.638 4.306 3.048 949 HE3 LYS 32 1HE LYS 32 -11.071 3.405 3.550 950 HZ1 LYS 32 3HZ LYS 32 -11.313 4.888 5.436 951 HZ2 LYS 32 1HZ LYS 32 -11.312 5.772 3.986 952 HZ3 LYS 32 2HZ LYS 32 -9.927 5.752 4.967 953 H ILE 33 H ILE 33 -5.110 0.590 4.183 954 HA ILE 33 HA ILE 33 -5.069 1.491 1.514 955 HB ILE 33 HB ILE 33 -2.645 0.566 3.071 956 HG12 ILE 33 2HG1 ILE 33 -3.964 3.292 3.150 957 HG13 ILE 33 1HG1 ILE 33 -4.058 2.092 4.437 958 HG21 ILE 33 1HG2 ILE 33 -2.976 2.690 0.953 959 HG22 ILE 33 2HG2 ILE 33 -2.273 1.092 0.708 960 HG23 ILE 33 3HG2 ILE 33 -1.470 2.255 1.764 961 HD11 ILE 33 3HD1 ILE 33 -1.539 3.405 3.442 962 HD12 ILE 33 1HD1 ILE 33 -1.650 2.226 4.749 963 HD13 ILE 33 2HD1 ILE 33 -2.405 3.811 4.924 964 H ALA 34 H ALA 34 -4.094 -1.560 3.004 965 HA ALA 34 HA ALA 34 -3.060 -2.741 0.640 966 HB1 ALA 34 3HB ALA 34 -4.071 -4.065 3.153 967 HB2 ALA 34 1HB ALA 34 -2.424 -3.496 2.878 968 HB3 ALA 34 2HB ALA 34 -3.072 -4.820 1.909 969 H THR 35 H THR 35 -6.259 -2.573 2.051 970 HA THR 35 HA THR 35 -7.439 -4.668 0.579 971 HB THR 35 HB THR 35 -8.768 -2.186 1.700 972 HG1 THR 35 1HG THR 35 -7.610 -3.609 3.217 973 HG21 THR 35 3HG2 THR 35 -10.216 -3.287 0.086 974 HG22 THR 35 1HG2 THR 35 -10.817 -3.572 1.719 975 HG23 THR 35 2HG2 THR 35 -9.943 -4.845 0.866 976 H ALA 36 H ALA 36 -6.756 -1.335 -0.194 977 HA ALA 36 HA ALA 36 -8.396 -0.953 -2.419 978 HB1 ALA 36 3HB ALA 36 -7.105 0.834 -1.384 979 HB2 ALA 36 1HB ALA 36 -6.771 0.731 -3.113 980 HB3 ALA 36 2HB ALA 36 -5.609 0.092 -1.951 981 H LEU 37 H LEU 37 -5.438 -2.772 -2.065 982 HA LEU 37 HA LEU 37 -4.752 -3.006 -4.793 983 HG LEU 37 HG LEU 37 -3.512 -2.913 -1.700 984 HB2 LEU 37 2HB LEU 37 -4.176 -5.061 -2.667 985 HB3 LEU 37 1HB LEU 37 -3.245 -4.714 -4.108 986 HD11 LEU 37 1HD1 LEU 37 -1.150 -3.433 -1.344 987 HD12 LEU 37 2HD1 LEU 37 -1.174 -4.527 -2.727 988 HD13 LEU 37 3HD1 LEU 37 -2.136 -4.894 -1.294 989 HD21 LEU 37 3HD2 LEU 37 -1.899 -2.585 -4.237 990 HD22 LEU 37 1HD2 LEU 37 -1.773 -1.563 -2.808 991 HD23 LEU 37 2HD2 LEU 37 -3.274 -1.599 -3.733 992 H LEU 38 H LEU 38 -6.817 -4.864 -2.656 993 HA LEU 38 HA LEU 38 -7.247 -6.980 -4.557 994 HG LEU 38 HG LEU 38 -6.681 -8.566 -2.748 995 HB2 LEU 38 2HB LEU 38 -8.515 -6.326 -1.899 996 HB3 LEU 38 1HB LEU 38 -9.041 -7.672 -2.890 997 HD11 LEU 38 1HD1 LEU 38 -5.274 -7.779 -0.930 998 HD12 LEU 38 2HD1 LEU 38 -6.437 -6.509 -0.560 999 HD13 LEU 38 3HD1 LEU 38 -5.566 -6.486 -2.092 1000 HD21 LEU 38 3HD2 LEU 38 -6.995 -9.467 -0.491 1001 HD22 LEU 38 1HD2 LEU 38 -8.488 -9.498 -1.427 1002 HD23 LEU 38 2HD2 LEU 38 -8.247 -8.263 -0.192 1003 H LYS 39 H LYS 39 -8.728 -3.955 -3.763 1004 HA LYS 39 HA LYS 39 -11.261 -4.565 -4.922 1005 HB2 LYS 39 2HB LYS 39 -10.001 -1.934 -4.136 1006 HB3 LYS 39 1HB LYS 39 -11.649 -2.112 -4.706 1007 HG2 LYS 39 2HG LYS 39 -10.465 -3.220 -2.179 1008 HG3 LYS 39 1HG LYS 39 -11.710 -1.981 -2.334 1009 HD2 LYS 39 2HD LYS 39 -11.979 -4.881 -3.126 1010 HD3 LYS 39 1HD LYS 39 -12.681 -4.126 -1.695 1011 HE2 LYS 39 2HE LYS 39 -14.091 -2.731 -3.063 1012 HE3 LYS 39 1HE LYS 39 -13.305 -3.311 -4.530 1013 HZ1 LYS 39 3HZ LYS 39 -14.134 -5.543 -4.019 1014 HZ2 LYS 39 1HZ LYS 39 -15.398 -4.428 -4.218 1015 HZ3 LYS 39 2HZ LYS 39 -14.949 -4.934 -2.661 1016 H THR 40 H THR 40 -8.619 -2.377 -5.954 1017 HA THR 40 HA THR 40 -8.719 -3.088 -8.652 1018 HB THR 40 HB THR 40 -10.995 -2.203 -8.555 1019 HG1 THR 40 1HG THR 40 -9.043 -0.953 -10.150 1020 HG21 THR 40 3HG2 THR 40 -10.709 -0.504 -6.823 1021 HG22 THR 40 1HG2 THR 40 -11.406 0.200 -8.282 1022 HG23 THR 40 2HG2 THR 40 -9.699 0.443 -7.916 1023 H ALA 41 H ALA 41 -6.837 -2.317 -6.657 1024 HA ALA 41 HA ALA 41 -5.693 0.206 -7.173 1025 HB1 ALA 41 3HB ALA 41 -4.287 -2.343 -6.392 1026 HB2 ALA 41 1HB ALA 41 -5.002 -1.173 -5.281 1027 HB3 ALA 41 2HB ALA 41 -3.619 -0.715 -6.277 1028 H ILE 42 H ILE 42 -5.621 -2.792 -8.875 1029 HA ILE 42 HA ILE 42 -3.751 -1.733 -10.865 1030 HB ILE 42 HB ILE 42 -4.969 -4.498 -10.846 1031 HG12 ILE 42 2HG1 ILE 42 -2.374 -3.665 -9.527 1032 HG13 ILE 42 1HG1 ILE 42 -3.865 -4.002 -8.656 1033 HG21 ILE 42 1HG2 ILE 42 -2.862 -5.052 -12.050 1034 HG22 ILE 42 2HG2 ILE 42 -2.456 -3.334 -12.046 1035 HG23 ILE 42 3HG2 ILE 42 -3.886 -3.902 -12.906 1036 HD11 ILE 42 3HD1 ILE 42 -3.821 -6.299 -9.456 1037 HD12 ILE 42 1HD1 ILE 42 -2.348 -5.890 -8.579 1038 HD13 ILE 42 2HD1 ILE 42 -2.331 -5.966 -10.341 1039 H GLU 43 H GLU 43 -4.518 -2.273 -13.250 1040 HA GLU 43 HA GLU 43 -7.249 -1.202 -13.329 1041 HB2 GLU 43 2HB GLU 43 -5.538 0.290 -14.272 1042 HB3 GLU 43 1HB GLU 43 -5.075 -0.963 -15.418 1043 HG2 GLU 43 2HG GLU 43 -7.164 -0.831 -16.536 1044 HG3 GLU 43 1HG GLU 43 -7.846 0.185 -15.271 1045 H ILE 44 H ILE 44 -8.725 -1.930 -14.824 1046 HA ILE 44 HA ILE 44 -8.455 -4.735 -15.471 1047 HB ILE 44 HB ILE 44 -10.782 -2.823 -15.636 1048 HG12 ILE 44 2HG1 ILE 44 -10.114 -3.499 -13.364 1049 HG13 ILE 44 1HG1 ILE 44 -11.686 -4.159 -13.802 1050 HG21 ILE 44 1HG2 ILE 44 -12.174 -4.771 -16.162 1051 HG22 ILE 44 2HG2 ILE 44 -10.723 -5.768 -16.278 1052 HG23 ILE 44 3HG2 ILE 44 -10.984 -4.453 -17.424 1053 HD11 ILE 44 3HD1 ILE 44 -10.387 -5.808 -12.627 1054 HD12 ILE 44 1HD1 ILE 44 -9.071 -5.642 -13.790 1055 HD13 ILE 44 2HD1 ILE 44 -10.622 -6.309 -14.300 1056 H VAL 45 H VAL 45 -7.521 -5.249 -17.322 1057 HA VAL 45 HA VAL 45 -7.961 -3.619 -19.695 1058 HB VAL 45 HB VAL 45 -6.535 -5.418 -20.827 1059 HG11 VAL 45 1HG1 VAL 45 -5.641 -3.238 -20.188 1060 HG12 VAL 45 2HG1 VAL 45 -4.440 -4.504 -19.915 1061 HG13 VAL 45 3HG1 VAL 45 -5.339 -3.830 -18.556 1062 HG21 VAL 45 3HG2 VAL 45 -6.842 -7.196 -19.176 1063 HG22 VAL 45 1HG2 VAL 45 -6.042 -6.208 -17.955 1064 HG23 VAL 45 2HG2 VAL 45 -5.132 -6.792 -19.348 1065 H SER 46 H SER 46 -9.863 -3.883 -20.643 1066 HA SER 46 HA SER 46 -11.216 -6.458 -20.324 1067 HG SER 46 HG SER 46 -12.663 -3.317 -21.880 1068 HB2 SER 46 2HB SER 46 -13.274 -5.129 -20.911 1069 HB3 SER 46 1HB SER 46 -12.473 -4.631 -19.423 1070 H GLU 47 H GLU 47 -11.915 -7.644 -21.985 1071 HA GLU 47 HA GLU 47 -11.179 -6.825 -24.693 1072 HB2 GLU 47 2HB GLU 47 -12.379 -9.436 -23.717 1073 HB3 GLU 47 1HB GLU 47 -11.685 -9.134 -25.304 1074 HG2 GLU 47 2HG GLU 47 -9.497 -8.894 -24.379 1075 HG3 GLU 47 1HG GLU 47 -10.132 -8.944 -22.737 1076 H GLU 48 H GLU 48 -12.734 -6.480 -26.318 1077 HA GLU 48 HA GLU 48 -15.018 -5.118 -25.575 1078 HB2 GLU 48 2HB GLU 48 -13.951 -4.995 -27.807 1079 HB3 GLU 48 1HB GLU 48 -14.595 -6.588 -28.181 1080 HG2 GLU 48 2HG GLU 48 -16.883 -5.663 -27.854 1081 HG3 GLU 48 1HG GLU 48 -16.155 -4.067 -27.677 1082 H ASP 49 H ASP 49 -14.993 -8.337 -27.050 1083 HA ASP 49 HA ASP 49 -17.183 -9.065 -25.242 1084 HB2 ASP 49 2HB ASP 49 -18.150 -8.708 -27.470 1085 HB3 ASP 49 1HB ASP 49 -17.011 -9.865 -28.150 1086 H GLY 50 H GLY 50 -16.269 -10.393 -23.907 1087 HA2 GLY 50 2HA GLY 50 -15.400 -12.934 -24.404 1088 HA3 GLY 50 1HA GLY 50 -13.957 -11.944 -24.590 1089 H GLY 51 H GLY 51 -14.241 -10.062 -22.642 1090 HA2 GLY 51 2HA GLY 51 -15.209 -10.475 -20.210 1091 HA3 GLY 51 1HA GLY 51 -13.925 -11.674 -20.247 1092 H ALA 52 H ALA 52 -14.087 -9.512 -18.460 1093 HA ALA 52 HA ALA 52 -11.969 -7.695 -19.272 1094 HB1 ALA 52 3HB ALA 52 -13.873 -6.771 -18.062 1095 HB2 ALA 52 1HB ALA 52 -12.397 -6.599 -17.112 1096 HB3 ALA 52 2HB ALA 52 -13.565 -7.859 -16.708 1097 H HIS 53 H HIS 53 -9.975 -7.536 -18.038 1098 HA HIS 53 HA HIS 53 -9.380 -9.903 -16.404 1099 HD1 HIS 53 1HD HIS 53 -8.696 -12.384 -17.817 1100 HD2 HIS 53 2HD HIS 53 -9.072 -9.528 -20.810 1101 HE1 HIS 53 1HE HIS 53 -9.856 -13.544 -19.715 1102 HE2 HIS 53 2HE HIS 53 -10.149 -11.779 -21.498 1103 HB2 HIS 53 2HB HIS 53 -7.605 -8.848 -18.615 1104 HB3 HIS 53 1HB HIS 53 -7.213 -10.174 -17.524 1105 H ASN 54 H ASN 54 -8.007 -9.536 -14.703 1106 HA ASN 54 HA ASN 54 -7.013 -6.781 -14.375 1107 HB2 ASN 54 2HB ASN 54 -8.501 -7.689 -12.566 1108 HB3 ASN 54 1HB ASN 54 -7.308 -8.948 -12.272 1109 HD21 ASN 54 2HD2 ASN 54 -6.939 -5.988 -9.957 1110 HD22 ASN 54 1HD2 ASN 54 -8.324 -6.869 -10.493 1111 H GLN 55 H GLN 55 -4.911 -6.500 -14.793 1112 HA GLN 55 HA GLN 55 -3.214 -8.907 -14.782 1113 HB2 GLN 55 2HB GLN 55 -3.462 -7.941 -17.007 1114 HB3 GLN 55 1HB GLN 55 -2.928 -6.375 -16.415 1115 HG2 GLN 55 2HG GLN 55 -0.732 -7.264 -15.947 1116 HG3 GLN 55 1HG GLN 55 -1.261 -8.878 -16.418 1117 HE21 GLN 55 2HE2 GLN 55 -0.910 -8.364 -19.836 1118 HE22 GLN 55 1HE2 GLN 55 -1.531 -9.364 -18.566 1119 H CYS 56 H CYS 56 -2.274 -8.945 -12.855 1120 HA CYS 56 HA CYS 56 -1.650 -6.732 -11.261 1121 HG CYS 56 HG CYS 56 -3.458 -8.618 -10.472 1122 HB2 CYS 56 2HB CYS 56 -0.351 -9.460 -11.218 1123 HB3 CYS 56 1HB CYS 56 -0.363 -8.289 -9.904 1124 H LYS 57 H LYS 57 -0.376 -5.172 -11.890 1125 HA LYS 57 HA LYS 57 1.579 -5.492 -13.933 1126 HB2 LYS 57 2HB LYS 57 0.045 -3.521 -13.542 1127 HB3 LYS 57 1HB LYS 57 1.073 -3.082 -12.188 1128 HG2 LYS 57 2HG LYS 57 2.972 -2.865 -13.745 1129 HG3 LYS 57 1HG LYS 57 1.878 -3.216 -15.085 1130 HD2 LYS 57 2HD LYS 57 0.516 -1.267 -14.459 1131 HD3 LYS 57 1HD LYS 57 1.650 -0.905 -13.159 1132 HE2 LYS 57 2HE LYS 57 3.442 -0.716 -14.902 1133 HE3 LYS 57 1HE LYS 57 2.177 -0.852 -16.124 1134 HZ1 LYS 57 3HZ LYS 57 2.336 1.250 -14.036 1135 HZ2 LYS 57 1HZ LYS 57 1.124 1.121 -15.213 1136 HZ3 LYS 57 2HZ LYS 57 2.725 1.456 -15.672 1137 H LEU 58 H LEU 58 1.831 -6.211 -10.724 1138 HA LEU 58 HA LEU 58 4.655 -5.390 -10.640 1139 HG LEU 58 HG LEU 58 4.135 -3.370 -9.453 1140 HB2 LEU 58 2HB LEU 58 2.732 -5.779 -8.357 1141 HB3 LEU 58 1HB LEU 58 4.463 -5.603 -8.142 1142 HD11 LEU 58 1HD1 LEU 58 1.816 -3.752 -10.088 1143 HD12 LEU 58 2HD1 LEU 58 1.968 -2.320 -9.067 1144 HD13 LEU 58 3HD1 LEU 58 1.355 -3.827 -8.388 1145 HD21 LEU 58 3HD2 LEU 58 3.721 -2.201 -7.344 1146 HD22 LEU 58 1HD2 LEU 58 4.876 -3.520 -7.146 1147 HD23 LEU 58 2HD2 LEU 58 3.208 -3.719 -6.608 1148 H CYS 59 H CYS 59 2.502 -7.946 -9.357 1149 HA CYS 59 HA CYS 59 4.789 -9.643 -8.917 1150 HG CYS 59 HG CYS 59 0.514 -11.114 -8.533 1151 HB2 CYS 59 2HB CYS 59 3.025 -11.276 -8.123 1152 HB3 CYS 59 1HB CYS 59 3.129 -9.757 -7.237 1153 H GLY 60 H GLY 60 2.925 -8.985 -11.595 1154 HA2 GLY 60 2HA GLY 60 2.992 -9.931 -13.694 1155 HA3 GLY 60 1HA GLY 60 4.145 -11.098 -13.070 1156 H ALA 61 H ALA 61 0.958 -10.628 -11.710 1157 HA ALA 61 HA ALA 61 0.259 -13.334 -12.625 1158 HB1 ALA 61 3HB ALA 61 -1.242 -13.447 -10.705 1159 HB2 ALA 61 1HB ALA 61 -0.806 -11.798 -10.258 1160 HB3 ALA 61 2HB ALA 61 0.406 -13.077 -10.197 1161 H SER 62 H SER 62 -2.027 -13.724 -13.141 1162 HA SER 62 HA SER 62 -3.399 -11.295 -14.076 1163 HG SER 62 HG SER 62 -1.631 -13.350 -16.335 1164 HB2 SER 62 2HB SER 62 -3.429 -13.982 -15.474 1165 HB3 SER 62 1HB SER 62 -4.176 -12.490 -16.037 1166 H VAL 63 H VAL 63 -5.410 -11.046 -13.396 1167 HA VAL 63 HA VAL 63 -6.641 -13.226 -11.867 1168 HB VAL 63 HB VAL 63 -7.319 -10.275 -11.927 1169 HG11 VAL 63 1HG1 VAL 63 -9.249 -11.665 -11.370 1170 HG12 VAL 63 2HG1 VAL 63 -8.705 -10.738 -9.973 1171 HG13 VAL 63 3HG1 VAL 63 -8.319 -12.455 -10.096 1172 HG21 VAL 63 3HG2 VAL 63 -6.308 -10.209 -9.689 1173 HG22 VAL 63 1HG2 VAL 63 -5.140 -10.663 -10.930 1174 HG23 VAL 63 2HG2 VAL 63 -5.821 -11.895 -9.868 1175 HA PRO 64 HA PRO 64 -9.479 -13.922 -15.226 1176 HB2 PRO 64 1HB PRO 64 -10.358 -15.938 -14.662 1177 HB3 PRO 64 2HB PRO 64 -11.115 -15.297 -13.202 1178 HG2 PRO 64 2HG PRO 64 -9.432 -16.552 -12.224 1179 HG3 PRO 64 1HG PRO 64 -8.337 -16.329 -13.600 1180 HD2 PRO 64 2HD PRO 64 -8.993 -14.432 -11.375 1181 HD3 PRO 64 1HD PRO 64 -7.417 -14.807 -12.107 1182 H TRP 65 H TRP 65 -9.978 -11.867 -12.743 1183 HA TRP 65 HA TRP 65 -11.360 -10.086 -12.489 1184 HD1 TRP 65 HD TRP 65 -12.094 -7.607 -13.624 1185 HE1 TRP 65 1HE TRP 65 -14.281 -6.254 -13.616 1186 HE3 TRP 65 3HE TRP 65 -15.339 -11.308 -14.987 1187 HZ2 TRP 65 2HZ TRP 65 -17.016 -6.694 -14.130 1188 HZ3 TRP 65 3HZ TRP 65 -17.724 -10.758 -15.211 1189 HH2 TRP 65 HH TRP 65 -18.544 -8.500 -14.790 1190 HB2 TRP 65 2HB TRP 65 -11.582 -10.048 -14.948 1191 HB3 TRP 65 1HB TRP 65 -12.906 -11.199 -14.839 1192 H LEU 66 H LEU 66 -13.193 -9.601 -11.319 1193 HA LEU 66 HA LEU 66 -14.968 -9.904 -9.953 1194 HG LEU 66 HG LEU 66 -17.212 -11.926 -9.749 1195 HB2 LEU 66 2HB LEU 66 -15.930 -10.683 -12.184 1196 HB3 LEU 66 1HB LEU 66 -15.675 -12.318 -11.611 1197 HD11 LEU 66 1HD1 LEU 66 -17.586 -9.198 -10.980 1198 HD12 LEU 66 2HD1 LEU 66 -16.820 -9.541 -9.428 1199 HD13 LEU 66 3HD1 LEU 66 -18.537 -9.871 -9.656 1200 HD21 LEU 66 3HD2 LEU 66 -18.079 -12.790 -11.861 1201 HD22 LEU 66 1HD2 LEU 66 -18.354 -11.143 -12.427 1202 HD23 LEU 66 2HD2 LEU 66 -19.268 -11.768 -11.054 1203 H GLN 67 H GLN 67 -12.392 -11.334 -9.512 1204 HA GLN 67 HA GLN 67 -13.299 -12.932 -7.283 1205 HB2 GLN 67 2HB GLN 67 -13.149 -14.523 -9.221 1206 HB3 GLN 67 1HB GLN 67 -11.435 -14.145 -9.334 1207 HG2 GLN 67 2HG GLN 67 -10.974 -15.146 -7.251 1208 HG3 GLN 67 1HG GLN 67 -12.685 -15.237 -6.833 1209 HE21 GLN 67 2HE2 GLN 67 -10.936 -18.099 -9.105 1210 HE22 GLN 67 1HE2 GLN 67 -10.102 -16.649 -8.673 1211 H THR 68 H THR 68 -11.725 -13.165 -5.679 1212 HA THR 68 HA THR 68 -10.024 -10.989 -5.328 1213 HB THR 68 HB THR 68 -9.830 -13.659 -3.920 1214 HG1 THR 68 1HG THR 68 -11.564 -13.093 -2.786 1215 HG21 THR 68 3HG2 THR 68 -9.132 -10.862 -3.011 1216 HG22 THR 68 1HG2 THR 68 -7.984 -12.142 -3.404 1217 HG23 THR 68 2HG2 THR 68 -9.055 -12.315 -2.015 1218 H GLY 69 H GLY 69 -9.376 -14.155 -6.682 1219 HA2 GLY 69 2HA GLY 69 -7.469 -14.519 -8.116 1220 HA3 GLY 69 1HA GLY 69 -6.584 -13.341 -7.152 1221 H ASP 70 H ASP 70 -7.727 -14.472 -4.688 1222 HA ASP 70 HA ASP 70 -7.360 -16.030 -3.092 1223 HB2 ASP 70 2HB ASP 70 -6.960 -17.938 -5.399 1224 HB3 ASP 70 1HB ASP 70 -7.334 -18.366 -3.735 1225 H GLU 71 H GLU 71 -5.195 -14.474 -3.880 1226 HA GLU 71 HA GLU 71 -2.964 -14.244 -3.773 1227 HB2 GLU 71 2HB GLU 71 -3.072 -16.652 -1.965 1228 HB3 GLU 71 1HB GLU 71 -1.945 -15.307 -1.925 1229 HG2 GLU 71 2HG GLU 71 -4.881 -15.142 -1.307 1230 HG3 GLU 71 1HG GLU 71 -3.576 -15.133 -0.127 1231 H ILE 72 H ILE 72 -3.353 -15.142 -6.041 1232 HA ILE 72 HA ILE 72 -2.476 -17.688 -6.827 1233 HB ILE 72 HB ILE 72 -3.851 -16.143 -8.189 1234 HG12 ILE 72 2HG1 ILE 72 -1.277 -16.934 -9.564 1235 HG13 ILE 72 1HG1 ILE 72 -2.659 -17.990 -9.307 1236 HG21 ILE 72 1HG2 ILE 72 -2.795 -14.297 -9.402 1237 HG22 ILE 72 2HG2 ILE 72 -1.291 -14.597 -8.531 1238 HG23 ILE 72 3HG2 ILE 72 -2.726 -14.068 -7.653 1239 HD11 ILE 72 3HD1 ILE 72 -2.606 -17.155 -11.582 1240 HD12 ILE 72 1HD1 ILE 72 -2.629 -15.496 -10.986 1241 HD13 ILE 72 2HD1 ILE 72 -4.023 -16.544 -10.727 1242 H LYS 73 H LYS 73 -0.525 -17.993 -8.315 1243 HA LYS 73 HA LYS 73 1.891 -17.825 -7.101 1244 HB2 LYS 73 2HB LYS 73 1.339 -17.650 -10.069 1245 HB3 LYS 73 1HB LYS 73 2.913 -18.001 -9.368 1246 HG2 LYS 73 2HG LYS 73 0.442 -19.675 -8.971 1247 HG3 LYS 73 1HG LYS 73 1.728 -20.016 -10.134 1248 HD2 LYS 73 2HD LYS 73 3.332 -20.272 -8.353 1249 HD3 LYS 73 1HD LYS 73 2.135 -19.773 -7.157 1250 HE2 LYS 73 2HE LYS 73 0.800 -21.745 -7.638 1251 HE3 LYS 73 1HE LYS 73 1.941 -22.226 -8.893 1252 HZ1 LYS 73 3HZ LYS 73 2.247 -23.387 -6.749 1253 HZ2 LYS 73 1HZ LYS 73 2.659 -21.909 -6.033 1254 HZ3 LYS 73 2HZ LYS 73 3.632 -22.557 -7.267 1255 H HIS 74 H HIS 74 3.413 -16.326 -6.706 1256 HA HIS 74 HA HIS 74 3.119 -13.669 -7.881 1257 HD1 HIS 74 1HD HIS 74 0.992 -15.614 -4.654 1258 HD2 HIS 74 2HD HIS 74 4.613 -13.883 -3.549 1259 HE1 HIS 74 1HE HIS 74 1.631 -16.703 -2.473 1260 HE2 HIS 74 2HE HIS 74 3.879 -15.710 -1.874 1261 HB2 HIS 74 2HB HIS 74 3.041 -12.658 -5.585 1262 HB3 HIS 74 1HB HIS 74 1.593 -13.548 -6.038 1263 H ALA 75 H ALA 75 4.995 -12.564 -8.019 1264 HA ALA 75 HA ALA 75 7.466 -13.652 -7.136 1265 HB1 ALA 75 3HB ALA 75 7.357 -12.142 -9.052 1266 HB2 ALA 75 1HB ALA 75 8.420 -11.480 -7.811 1267 HB3 ALA 75 2HB ALA 75 6.788 -10.838 -8.011 1268 H ASP 76 H ASP 76 8.383 -13.514 -5.168 1269 HA ASP 76 HA ASP 76 6.744 -12.437 -3.056 1270 HB2 ASP 76 2HB ASP 76 7.948 -14.665 -3.038 1271 HB3 ASP 76 1HB ASP 76 9.433 -13.763 -2.779 1272 H ASP 77 H ASP 77 9.078 -11.145 -4.964 1273 HA ASP 77 HA ASP 77 10.399 -9.569 -2.904 1274 HB2 ASP 77 2HB ASP 77 10.818 -9.520 -5.899 1275 HB3 ASP 77 1HB ASP 77 11.841 -8.760 -4.687 1276 H CYS 78 H CYS 78 7.583 -9.273 -4.653 1277 HA CYS 78 HA CYS 78 7.865 -6.430 -5.201 1278 HG CYS 78 HG CYS 78 5.466 -9.855 -5.330 1279 HB2 CYS 78 2HB CYS 78 5.697 -6.580 -6.274 1280 HB3 CYS 78 1HB CYS 78 6.709 -7.906 -6.831 1281 HA PRO 79 HA PRO 79 6.061 -4.878 -1.503 1282 HB2 PRO 79 1HB PRO 79 5.588 -2.681 -1.917 1283 HB3 PRO 79 2HB PRO 79 4.392 -3.076 -3.155 1284 HG2 PRO 79 2HG PRO 79 6.098 -2.295 -4.510 1285 HG3 PRO 79 1HG PRO 79 7.362 -2.843 -3.394 1286 HD2 PRO 79 2HD PRO 79 5.785 -4.409 -5.394 1287 HD3 PRO 79 1HD PRO 79 7.501 -4.539 -4.960 1288 H VAL 80 H VAL 80 3.926 -5.791 -4.118 1289 HA VAL 80 HA VAL 80 1.451 -5.500 -2.846 1290 HB VAL 80 HB VAL 80 2.219 -7.505 -4.969 1291 HG11 VAL 80 1HG1 VAL 80 -0.496 -6.455 -4.170 1292 HG12 VAL 80 2HG1 VAL 80 0.107 -8.088 -3.887 1293 HG13 VAL 80 3HG1 VAL 80 -0.168 -7.521 -5.536 1294 HG21 VAL 80 3HG2 VAL 80 1.344 -5.856 -6.551 1295 HG22 VAL 80 1HG2 VAL 80 2.711 -5.215 -5.640 1296 HG23 VAL 80 2HG2 VAL 80 1.067 -4.731 -5.222 1297 H VAL 81 H VAL 81 3.615 -8.312 -3.032 1298 HA VAL 81 HA VAL 81 1.836 -10.063 -1.689 1299 HB VAL 81 HB VAL 81 3.745 -11.568 -1.457 1300 HG11 VAL 81 1HG1 VAL 81 4.185 -11.865 -3.854 1301 HG12 VAL 81 2HG1 VAL 81 3.507 -10.265 -4.159 1302 HG13 VAL 81 3HG1 VAL 81 2.482 -11.553 -3.522 1303 HG21 VAL 81 3HG2 VAL 81 5.928 -10.982 -2.364 1304 HG22 VAL 81 1HG2 VAL 81 5.499 -9.936 -1.014 1305 HG23 VAL 81 2HG2 VAL 81 5.366 -9.340 -2.670 1306 H ILE 82 H ILE 82 4.501 -8.043 -0.624 1307 HA ILE 82 HA ILE 82 4.708 -8.821 2.026 1308 HB ILE 82 HB ILE 82 4.890 -5.988 0.974 1309 HG12 ILE 82 2HG1 ILE 82 6.377 -7.542 -0.235 1310 HG13 ILE 82 1HG1 ILE 82 7.293 -6.412 0.754 1311 HG21 ILE 82 1HG2 ILE 82 4.720 -6.032 3.389 1312 HG22 ILE 82 2HG2 ILE 82 6.366 -5.607 2.914 1313 HG23 ILE 82 3HG2 ILE 82 6.004 -7.237 3.485 1314 HD11 ILE 82 3HD1 ILE 82 6.674 -9.269 1.456 1315 HD12 ILE 82 1HD1 ILE 82 7.593 -8.136 2.447 1316 HD13 ILE 82 2HD1 ILE 82 8.222 -8.647 0.880 1317 H ALA 83 H ALA 83 2.559 -6.348 0.628 1318 HA ALA 83 HA ALA 83 1.187 -5.686 2.978 1319 HB1 ALA 83 3HB ALA 83 -0.547 -4.777 1.504 1320 HB2 ALA 83 1HB ALA 83 0.181 -5.616 0.132 1321 HB3 ALA 83 2HB ALA 83 1.068 -4.334 0.954 1322 H LYS 84 H LYS 84 0.503 -8.126 0.507 1323 HA LYS 84 HA LYS 84 -1.954 -9.018 1.526 1324 HB2 LYS 84 2HB LYS 84 0.140 -10.340 -0.182 1325 HB3 LYS 84 1HB LYS 84 -1.344 -11.167 0.269 1326 HG2 LYS 84 2HG LYS 84 -2.653 -9.401 -0.800 1327 HG3 LYS 84 1HG LYS 84 -1.159 -8.584 -1.266 1328 HD2 LYS 84 2HD LYS 84 -0.559 -10.291 -2.756 1329 HD3 LYS 84 1HD LYS 84 -1.705 -11.429 -2.049 1330 HE2 LYS 84 2HE LYS 84 -2.484 -8.917 -3.522 1331 HE3 LYS 84 1HE LYS 84 -2.411 -10.518 -4.256 1332 HZ1 LYS 84 3HZ LYS 84 -4.139 -9.778 -1.953 1333 HZ2 LYS 84 1HZ LYS 84 -4.091 -11.289 -2.719 1334 HZ3 LYS 84 2HZ LYS 84 -4.663 -9.928 -3.557 1335 H GLN 85 H GLN 85 1.350 -9.951 2.300 1336 HA GLN 85 HA GLN 85 0.625 -12.156 3.942 1337 HB2 GLN 85 2HB GLN 85 3.153 -10.539 3.633 1338 HB3 GLN 85 1HB GLN 85 3.029 -11.921 4.702 1339 HG2 GLN 85 2HG GLN 85 2.580 -13.390 2.863 1340 HG3 GLN 85 1HG GLN 85 2.480 -12.027 1.751 1341 HE21 GLN 85 2HE2 GLN 85 5.916 -11.722 1.293 1342 HE22 GLN 85 1HE2 GLN 85 4.357 -10.997 1.108 1343 H ILE 86 H ILE 86 1.182 -8.735 4.468 1344 HA ILE 86 HA ILE 86 1.257 -8.908 7.319 1345 HB ILE 86 HB ILE 86 0.875 -6.530 5.493 1346 HG12 ILE 86 2HG1 ILE 86 3.272 -7.503 7.068 1347 HG13 ILE 86 1HG1 ILE 86 3.065 -7.643 5.329 1348 HG21 ILE 86 1HG2 ILE 86 1.391 -5.150 7.466 1349 HG22 ILE 86 2HG2 ILE 86 1.338 -6.596 8.476 1350 HG23 ILE 86 3HG2 ILE 86 -0.119 -6.043 7.650 1351 HD11 ILE 86 3HD1 ILE 86 4.550 -5.811 5.904 1352 HD12 ILE 86 1HD1 ILE 86 3.272 -5.067 6.864 1353 HD13 ILE 86 2HD1 ILE 86 3.086 -5.217 5.117 1354 H LEU 87 H LEU 87 -1.259 -8.152 4.938 1355 HA LEU 87 HA LEU 87 -3.165 -7.319 6.885 1356 HG LEU 87 HG LEU 87 -2.592 -8.695 3.480 1357 HB2 LEU 87 2HB LEU 87 -4.807 -7.415 5.052 1358 HB3 LEU 87 1HB LEU 87 -3.372 -6.504 4.638 1359 HD11 LEU 87 1HD1 LEU 87 -5.566 -9.161 3.625 1360 HD12 LEU 87 2HD1 LEU 87 -4.310 -10.169 4.345 1361 HD13 LEU 87 3HD1 LEU 87 -4.442 -10.040 2.590 1362 HD21 LEU 87 3HD2 LEU 87 -4.851 -7.042 2.366 1363 HD22 LEU 87 1HD2 LEU 87 -3.733 -8.029 1.425 1364 HD23 LEU 87 2HD2 LEU 87 -3.136 -6.628 2.315 1365 H SER 88 H SER 88 -2.014 -10.357 6.061 1366 HA SER 88 HA SER 88 -4.439 -11.811 6.626 1367 HG SER 88 HG SER 88 -2.819 -14.261 7.455 1368 HB2 SER 88 2HB SER 88 -2.823 -12.754 5.053 1369 HB3 SER 88 1HB SER 88 -1.577 -12.757 6.298 1370 H SER 89 H SER 89 -4.585 -10.478 8.682 1371 HA SER 89 HA SER 89 -2.890 -11.307 10.863 1372 HG SER 89 HG SER 89 -2.760 -9.284 12.120 1373 HB2 SER 89 2HB SER 89 -4.198 -9.011 10.421 1374 HB3 SER 89 1HB SER 89 -5.439 -9.843 11.358 1375 H ARG 90 H ARG 90 -3.606 -12.465 12.702 1376 HA ARG 90 HA ARG 90 -4.513 -14.279 13.709 1377 HE ARG 90 HE ARG 90 -7.258 -13.682 16.058 1378 HB2 ARG 90 2HB ARG 90 -6.484 -12.889 13.983 1379 HB3 ARG 90 1HB ARG 90 -7.021 -13.265 12.353 1380 HG2 ARG 90 2HG ARG 90 -8.304 -14.511 13.983 1381 HG3 ARG 90 1HG ARG 90 -7.336 -15.605 12.995 1382 HD2 ARG 90 2HD ARG 90 -7.100 -16.400 15.186 1383 HD3 ARG 90 1HD ARG 90 -5.612 -15.514 14.863 1384 HH11 ARG 90 1HH1 ARG 90 -6.061 -16.863 16.888 1385 HH12 ARG 90 2HH1 ARG 90 -6.100 -16.575 18.600 1386 HH21 ARG 90 2HH2 ARG 90 -6.814 -14.537 19.409 1387 HH22 ARG 90 1HH2 ARG 90 -7.308 -13.288 18.311 1388 HA PRO 91 HA PRO 91 -3.962 -16.793 9.939 1389 HB2 PRO 91 1HB PRO 91 -1.776 -17.336 10.104 1390 HB3 PRO 91 2HB PRO 91 -2.108 -18.374 11.490 1391 HG2 PRO 91 2HG PRO 91 -0.931 -16.794 12.651 1392 HG3 PRO 91 1HG PRO 91 -1.213 -15.553 11.416 1393 HD2 PRO 91 2HD PRO 91 -2.966 -16.406 13.688 1394 HD3 PRO 91 1HD PRO 91 -2.652 -14.774 13.057 1395 H LYS 92 H LYS 92 -5.613 -18.150 9.661 1396 HA LYS 92 HA LYS 92 -5.796 -20.433 11.514 1397 HB2 LYS 92 2HB LYS 92 -8.209 -20.601 10.915 1398 HB3 LYS 92 1HB LYS 92 -7.808 -19.135 11.798 1399 HG2 LYS 92 2HG LYS 92 -7.847 -17.861 9.726 1400 HG3 LYS 92 1HG LYS 92 -8.196 -19.333 8.820 1401 HD2 LYS 92 2HD LYS 92 -10.259 -18.185 9.101 1402 HD3 LYS 92 1HD LYS 92 -10.290 -19.567 10.194 1403 HE2 LYS 92 2HE LYS 92 -9.483 -16.803 11.067 1404 HE3 LYS 92 1HE LYS 92 -11.151 -17.362 11.115 1405 HZ1 LYS 92 3HZ LYS 92 -8.836 -18.392 12.664 1406 HZ2 LYS 92 1HZ LYS 92 -10.300 -19.245 12.539 1407 HZ3 LYS 92 2HZ LYS 92 -10.270 -17.706 13.251 1408 H LEU 93 H LEU 93 -5.069 -19.353 8.501 1409 HA LEU 93 HA LEU 93 -5.635 -21.918 7.194 1410 HG LEU 93 HG LEU 93 -4.373 -21.291 4.476 1411 HB2 LEU 93 2HB LEU 93 -6.378 -19.750 6.128 1412 HB3 LEU 93 1HB LEU 93 -4.688 -19.332 5.947 1413 HD11 LEU 93 1HD1 LEU 93 -7.361 -21.606 4.757 1414 HD12 LEU 93 2HD1 LEU 93 -6.142 -22.709 5.392 1415 HD13 LEU 93 3HD1 LEU 93 -6.324 -22.508 3.649 1416 HD21 LEU 93 3HD2 LEU 93 -4.878 -19.105 3.523 1417 HD22 LEU 93 1HD2 LEU 93 -6.604 -19.446 3.641 1418 HD23 LEU 93 2HD2 LEU 93 -5.589 -20.401 2.560 1419 H HIS 94 H HIS 94 -3.787 -22.518 5.589 1420 HA HIS 94 HA HIS 94 -1.641 -23.127 5.168 1421 HD1 HIS 94 1HD HIS 94 1.654 -21.869 7.367 1422 HD2 HIS 94 2HD HIS 94 0.461 -21.669 3.384 1423 HE1 HIS 94 1HE HIS 94 3.723 -22.312 6.014 1424 HE2 HIS 94 2HE HIS 94 3.020 -22.001 3.615 1425 HB2 HIS 94 2HB HIS 94 -1.239 -20.610 5.437 1426 HB3 HIS 94 1HB HIS 94 -0.708 -20.975 7.074 1427 H ALA 95 H ALA 95 -3.176 -24.369 7.159 1428 HA ALA 95 HA ALA 95 -1.494 -24.876 9.453 1429 HB1 ALA 95 3HB ALA 95 -3.247 -26.441 10.122 1430 HB2 ALA 95 1HB ALA 95 -4.031 -26.241 8.555 1431 HB3 ALA 95 2HB ALA 95 -3.935 -24.880 9.674 1432 H VAL 96 H VAL 96 0.183 -26.198 9.386 1433 HA VAL 96 HA VAL 96 -0.065 -28.697 7.903 1434 HB VAL 96 HB VAL 96 1.110 -27.373 6.305 1435 HG11 VAL 96 1HG1 VAL 96 3.019 -26.605 8.510 1436 HG12 VAL 96 2HG1 VAL 96 1.859 -25.548 7.708 1437 HG13 VAL 96 3HG1 VAL 96 3.218 -26.209 6.801 1438 HG21 VAL 96 3HG2 VAL 96 1.928 -29.634 6.544 1439 HG22 VAL 96 1HG2 VAL 96 3.061 -29.121 7.796 1440 HG23 VAL 96 2HG2 VAL 96 3.256 -28.546 6.139 Start of MODEL 4 1 HA MET 1 HA MET 1 -9.537 17.061 -3.491 2 H1 MET 1 1H MET 1 -9.816 14.667 -3.563 3 H2 MET 1 2H MET 1 -10.841 15.374 -2.415 4 H3 MET 1 3H MET 1 -9.445 14.562 -1.913 5 HB2 MET 1 2HB MET 1 -10.119 17.356 -1.113 6 HB3 MET 1 1HB MET 1 -8.650 16.513 -0.642 7 HG2 MET 1 2HG MET 1 -8.371 18.891 -0.389 8 HG3 MET 1 1HG MET 1 -7.315 18.290 -1.664 9 HE1 MET 1 3HE MET 1 -11.181 19.026 -1.722 10 HE2 MET 1 1HE MET 1 -11.204 20.660 -2.385 11 HE3 MET 1 2HE MET 1 -10.512 20.365 -0.790 12 H GLY 2 H GLY 2 -7.542 17.845 -4.194 13 HA2 GLY 2 2HA GLY 2 -5.494 15.960 -4.752 14 HA3 GLY 2 1HA GLY 2 -5.376 17.704 -4.965 15 H SER 3 H SER 3 -3.614 15.499 -3.705 16 HA SER 3 HA SER 3 -2.933 17.003 -1.312 17 HG SER 3 HG SER 3 -4.967 14.060 -1.775 18 HB2 SER 3 2HB SER 3 -2.841 14.729 -0.065 19 HB3 SER 3 1HB SER 3 -4.406 15.515 -0.272 20 H SER 4 H SER 4 -0.849 17.034 -0.858 21 HA SER 4 HA SER 4 1.333 16.509 -0.699 22 HG SER 4 HG SER 4 2.698 14.801 -0.148 23 HB2 SER 4 2HB SER 4 0.450 14.145 -0.372 24 HB3 SER 4 1HB SER 4 0.820 13.880 -2.076 25 H HIS 5 H HIS 5 3.182 16.797 -1.874 26 HA HIS 5 HA HIS 5 3.201 16.546 -4.740 27 HD1 HIS 5 1HD HIS 5 5.165 20.531 -3.951 28 HD2 HIS 5 2HD HIS 5 1.751 19.534 -1.784 29 HE1 HIS 5 1HE HIS 5 5.169 22.039 -1.938 30 HE2 HIS 5 2HE HIS 5 3.068 21.466 -0.668 31 HB2 HIS 5 2HB HIS 5 3.649 18.941 -5.190 32 HB3 HIS 5 1HB HIS 5 2.033 18.690 -4.545 33 H HIS 6 H HIS 6 5.148 15.732 -5.128 34 HA HIS 6 HA HIS 6 7.401 15.506 -5.253 35 HD1 HIS 6 1HD HIS 6 9.502 17.155 -6.859 36 HD2 HIS 6 2HD HIS 6 10.010 17.910 -2.797 37 HE1 HIS 6 1HE HIS 6 11.992 17.252 -6.486 38 HE2 HIS 6 2HE HIS 6 12.271 17.827 -4.050 39 HB2 HIS 6 2HB HIS 6 7.365 17.943 -5.638 40 HB3 HIS 6 1HB HIS 6 7.465 18.215 -3.904 41 H HIS 7 H HIS 7 8.048 13.854 -4.024 42 HA HIS 7 HA HIS 7 8.189 14.234 -1.106 43 HD1 HIS 7 1HD HIS 7 5.784 12.086 -0.081 44 HD2 HIS 7 2HD HIS 7 6.164 12.097 -4.219 45 HE1 HIS 7 1HE HIS 7 3.443 11.944 -0.981 46 HE2 HIS 7 2HE HIS 7 3.696 12.210 -3.475 47 HB2 HIS 7 2HB HIS 7 8.449 11.620 -2.607 48 HB3 HIS 7 1HB HIS 7 8.193 11.843 -0.880 49 H HIS 8 H HIS 8 10.092 13.487 0.013 50 HA HIS 8 HA HIS 8 12.449 12.896 -1.547 51 HD1 HIS 8 1HD HIS 8 12.132 17.610 -0.945 52 HD2 HIS 8 2HD HIS 8 11.898 14.815 2.127 53 HE1 HIS 8 1HE HIS 8 11.274 18.869 1.055 54 HE2 HIS 8 2HE HIS 8 11.402 17.216 2.953 55 HB2 HIS 8 2HB HIS 8 13.779 14.782 -0.590 56 HB3 HIS 8 1HB HIS 8 12.557 15.282 -1.746 57 H HIS 9 H HIS 9 14.385 13.397 0.356 58 HA HIS 9 HA HIS 9 15.327 12.673 2.293 59 HD1 HIS 9 1HD HIS 9 13.524 9.947 4.760 60 HD2 HIS 9 2HD HIS 9 15.202 13.698 5.417 61 HE1 HIS 9 1HE HIS 9 14.802 9.753 6.918 62 HE2 HIS 9 2HE HIS 9 15.846 12.020 7.280 63 HB2 HIS 9 2HB HIS 9 13.230 13.447 3.453 64 HB3 HIS 9 1HB HIS 9 12.576 11.828 3.235 65 H HIS 10 H HIS 10 16.568 10.944 2.085 66 HA HIS 10 HA HIS 10 15.405 8.560 0.886 67 HD1 HIS 10 1HD HIS 10 18.783 11.156 -0.053 68 HD2 HIS 10 2HD HIS 10 19.339 8.624 3.198 69 HE1 HIS 10 1HE HIS 10 20.692 12.139 1.254 70 HE2 HIS 10 2HE HIS 10 20.855 10.719 3.327 71 HB2 HIS 10 2HB HIS 10 17.836 7.767 0.825 72 HB3 HIS 10 1HB HIS 10 17.392 9.108 -0.217 73 H SER 11 H SER 11 14.268 7.563 2.440 74 HA SER 11 HA SER 11 15.630 6.755 4.888 75 HG SER 11 HG SER 11 12.961 7.870 6.100 76 HB2 SER 11 2HB SER 11 12.779 6.287 3.971 77 HB3 SER 11 1HB SER 11 13.424 5.895 5.566 78 H SER 12 H SER 12 16.441 4.763 5.181 79 HA SER 12 HA SER 12 15.524 2.495 3.691 80 HG SER 12 HG SER 12 16.889 1.134 2.621 81 HB2 SER 12 2HB SER 12 17.098 3.664 2.091 82 HB3 SER 12 1HB SER 12 18.391 3.366 3.252 83 H GLY 13 H GLY 13 16.027 0.612 4.706 84 HA2 GLY 13 2HA GLY 13 18.160 0.408 6.626 85 HA3 GLY 13 1HA GLY 13 16.565 0.472 7.369 86 H ARG 14 H ARG 14 18.538 -1.724 7.286 87 HA ARG 14 HA ARG 14 17.091 -3.693 5.663 88 HE ARG 14 HE ARG 14 20.619 -6.255 5.500 89 HB2 ARG 14 2HB ARG 14 19.794 -3.801 6.993 90 HB3 ARG 14 1HB ARG 14 19.036 -5.193 6.234 91 HG2 ARG 14 2HG ARG 14 18.957 -3.936 4.107 92 HG3 ARG 14 1HG ARG 14 19.837 -2.624 4.894 93 HD2 ARG 14 2HD ARG 14 21.314 -4.105 3.598 94 HD3 ARG 14 1HD ARG 14 21.713 -4.087 5.316 95 HH11 ARG 14 1HH1 ARG 14 21.303 -5.124 2.255 96 HH12 ARG 14 2HH1 ARG 14 21.435 -6.726 1.584 97 HH21 ARG 14 2HH2 ARG 14 21.103 -8.563 2.917 98 HH22 ARG 14 1HH2 ARG 14 20.754 -8.372 4.609 99 H GLU 15 H GLU 15 15.296 -3.825 7.008 100 HA GLU 15 HA GLU 15 15.577 -5.862 9.020 101 HB2 GLU 15 2HB GLU 15 15.905 -3.826 10.371 102 HB3 GLU 15 1HB GLU 15 14.401 -3.164 9.751 103 HG2 GLU 15 2HG GLU 15 14.108 -4.038 11.996 104 HG3 GLU 15 1HG GLU 15 13.150 -4.954 10.836 105 H ASN 16 H ASN 16 13.618 -6.934 9.416 106 HA ASN 16 HA ASN 16 11.214 -5.965 8.082 107 HB2 ASN 16 2HB ASN 16 12.369 -7.408 6.405 108 HB3 ASN 16 1HB ASN 16 12.313 -8.740 7.556 109 HD21 ASN 16 2HD2 ASN 16 8.625 -7.459 6.374 110 HD22 ASN 16 1HD2 ASN 16 9.793 -6.329 6.979 111 H LEU 17 H LEU 17 9.950 -5.853 9.830 112 HA LEU 17 HA LEU 17 9.814 -8.185 11.605 113 HG LEU 17 HG LEU 17 10.034 -7.976 14.011 114 HB2 LEU 17 2HB LEU 17 11.360 -6.346 12.446 115 HB3 LEU 17 1HB LEU 17 9.937 -5.338 12.593 116 HD11 LEU 17 1HD1 LEU 17 11.263 -5.392 14.965 117 HD12 LEU 17 2HD1 LEU 17 12.124 -6.885 14.592 118 HD13 LEU 17 3HD1 LEU 17 11.005 -6.829 15.955 119 HD21 LEU 17 3HD2 LEU 17 8.578 -6.813 15.578 120 HD22 LEU 17 1HD2 LEU 17 7.933 -6.708 13.940 121 HD23 LEU 17 2HD2 LEU 17 8.754 -5.320 14.655 122 H TYR 18 H TYR 18 7.772 -8.726 12.145 123 HA TYR 18 HA TYR 18 5.690 -7.144 10.881 124 HD1 TYR 18 1HD TYR 18 4.239 -8.501 8.940 125 HD2 TYR 18 2HD TYR 18 3.142 -9.746 12.856 126 HE1 TYR 18 1HE TYR 18 1.868 -8.399 8.302 127 HE2 TYR 18 2HE TYR 18 0.768 -9.641 12.228 128 HH TYR 18 HH TYR 18 -0.267 -9.367 9.008 129 HB2 TYR 18 2HB TYR 18 5.871 -9.583 10.500 130 HB3 TYR 18 1HB TYR 18 5.419 -9.840 12.178 131 H PHE 19 H PHE 19 5.761 -5.491 12.344 132 HA PHE 19 HA PHE 19 4.687 -4.170 13.816 133 HD1 PHE 19 1HD PHE 19 2.460 -2.854 13.276 134 HD2 PHE 19 2HD PHE 19 2.364 -6.740 11.543 135 HE1 PHE 19 1HE PHE 19 1.643 -1.889 11.165 136 HE2 PHE 19 2HE PHE 19 1.543 -5.782 9.431 137 HZ PHE 19 HZ PHE 19 1.185 -3.355 9.241 138 HB2 PHE 19 2HB PHE 19 2.784 -6.501 13.839 139 HB3 PHE 19 1HB PHE 19 2.456 -4.973 14.655 140 H GLN 20 H GLN 20 3.431 -4.334 16.110 141 HA GLN 20 HA GLN 20 3.792 -4.254 18.300 142 HB2 GLN 20 2HB GLN 20 5.194 -6.878 17.817 143 HB3 GLN 20 1HB GLN 20 4.809 -6.215 19.393 144 HG2 GLN 20 2HG GLN 20 2.428 -6.243 18.831 145 HG3 GLN 20 1HG GLN 20 2.823 -6.946 17.265 146 HE21 GLN 20 2HE2 GLN 20 2.736 -9.226 20.617 147 HE22 GLN 20 1HE2 GLN 20 2.640 -7.499 20.692 148 H GLY 21 H GLY 21 6.910 -5.736 17.358 149 HA2 GLY 21 2HA GLY 21 8.261 -3.654 18.899 150 HA3 GLY 21 1HA GLY 21 9.003 -5.102 18.236 151 H MET 22 H MET 22 7.272 -2.268 16.962 152 HA MET 22 HA MET 22 8.940 -2.329 14.588 153 HB2 MET 22 2HB MET 22 6.614 -0.541 15.314 154 HB3 MET 22 1HB MET 22 7.419 -0.585 13.751 155 HG2 MET 22 2HG MET 22 5.870 -2.823 15.030 156 HG3 MET 22 1HG MET 22 5.359 -1.828 13.668 157 HE1 MET 22 3HE MET 22 7.483 -3.075 10.725 158 HE2 MET 22 1HE MET 22 7.641 -1.592 11.669 159 HE3 MET 22 2HE MET 22 6.042 -2.192 11.231 160 H THR 23 H THR 23 10.732 -1.211 14.399 161 HA THR 23 HA THR 23 10.951 1.431 15.595 162 HB THR 23 HB THR 23 11.849 0.051 17.352 163 HG1 THR 23 1HG THR 23 14.109 0.792 17.270 164 HG21 THR 23 3HG2 THR 23 13.635 -1.170 15.245 165 HG22 THR 23 1HG2 THR 23 12.330 -1.976 16.116 166 HG23 THR 23 2HG2 THR 23 13.773 -1.450 16.981 167 H ASP 24 H ASP 24 12.020 2.816 14.333 168 HA ASP 24 HA ASP 24 13.281 3.714 12.682 169 HB2 ASP 24 2HB ASP 24 15.136 2.505 13.720 170 HB3 ASP 24 1HB ASP 24 14.757 1.076 12.764 171 H THR 25 H THR 25 13.494 0.387 11.521 172 HA THR 25 HA THR 25 12.906 1.218 8.844 173 HB THR 25 HB THR 25 13.137 -1.615 9.857 174 HG1 THR 25 1HG THR 25 14.986 0.406 9.887 175 HG21 THR 25 3HG2 THR 25 14.073 -2.041 7.631 176 HG22 THR 25 1HG2 THR 25 13.864 -0.342 7.213 177 HG23 THR 25 2HG2 THR 25 12.452 -1.355 7.512 178 H ALA 26 H ALA 26 10.965 0.708 11.403 179 HA ALA 26 HA ALA 26 8.777 -0.759 10.506 180 HB1 ALA 26 3HB ALA 26 8.792 1.738 12.196 181 HB2 ALA 26 1HB ALA 26 8.989 0.087 12.786 182 HB3 ALA 26 2HB ALA 26 7.459 0.592 12.064 183 H ALA 27 H ALA 27 9.760 2.542 9.834 184 HA ALA 27 HA ALA 27 7.380 3.266 8.437 185 HB1 ALA 27 3HB ALA 27 10.134 4.492 8.299 186 HB2 ALA 27 1HB ALA 27 8.856 4.952 9.425 187 HB3 ALA 27 2HB ALA 27 8.646 5.217 7.693 188 H GLU 28 H GLU 28 10.493 1.929 7.543 189 HA GLU 28 HA GLU 28 10.328 2.280 4.771 190 HB2 GLU 28 2HB GLU 28 11.946 0.605 6.607 191 HB3 GLU 28 1HB GLU 28 11.893 0.117 4.918 192 HG2 GLU 28 2HG GLU 28 12.690 2.841 5.909 193 HG3 GLU 28 1HG GLU 28 13.807 1.560 5.433 194 H ASP 29 H ASP 29 9.510 -0.585 6.750 195 HA ASP 29 HA ASP 29 8.905 -2.227 4.548 196 HB2 ASP 29 2HB ASP 29 8.419 -2.385 7.469 197 HB3 ASP 29 1HB ASP 29 7.409 -3.397 6.442 198 H VAL 30 H VAL 30 6.833 -0.128 6.494 199 HA VAL 30 HA VAL 30 4.444 -0.928 5.131 200 HB VAL 30 HB VAL 30 4.944 1.504 6.849 201 HG11 VAL 30 1HG1 VAL 30 2.491 1.582 7.063 202 HG12 VAL 30 2HG1 VAL 30 2.362 0.291 5.867 203 HG13 VAL 30 3HG1 VAL 30 3.030 1.856 5.406 204 HG21 VAL 30 3HG2 VAL 30 3.837 0.203 8.604 205 HG22 VAL 30 1HG2 VAL 30 5.300 -0.599 8.029 206 HG23 VAL 30 2HG2 VAL 30 3.716 -1.171 7.504 207 H ARG 31 H ARG 31 6.583 1.930 4.913 208 HA ARG 31 HA ARG 31 5.047 3.199 2.908 209 HE ARG 31 HE ARG 31 10.943 3.839 2.521 210 HB2 ARG 31 2HB ARG 31 6.739 4.797 2.719 211 HB3 ARG 31 1HB ARG 31 6.831 4.274 4.388 212 HG2 ARG 31 2HG ARG 31 9.040 4.260 3.918 213 HG3 ARG 31 1HG ARG 31 8.663 2.633 3.349 214 HD2 ARG 31 2HD ARG 31 8.558 3.367 1.085 215 HD3 ARG 31 1HD ARG 31 8.618 5.061 1.570 216 HH11 ARG 31 1HH1 ARG 31 9.446 4.575 -0.565 217 HH12 ARG 31 2HH1 ARG 31 10.961 4.764 -1.400 218 HH21 ARG 31 2HH2 ARG 31 12.952 4.496 -0.243 219 HH22 ARG 31 1HH2 ARG 31 12.923 4.099 1.454 220 H LYS 32 H LYS 32 7.436 0.704 2.837 221 HA LYS 32 HA LYS 32 8.265 0.654 0.203 222 HB2 LYS 32 2HB LYS 32 8.855 -0.912 2.155 223 HB3 LYS 32 1HB LYS 32 7.421 -1.821 1.709 224 HG2 LYS 32 2HG LYS 32 8.476 -1.951 -0.628 225 HG3 LYS 32 1HG LYS 32 9.965 -1.450 0.176 226 HD2 LYS 32 2HD LYS 32 8.319 -3.916 0.733 227 HD3 LYS 32 1HD LYS 32 9.945 -3.846 0.055 228 HE2 LYS 32 2HE LYS 32 9.181 -2.968 2.842 229 HE3 LYS 32 1HE LYS 32 9.911 -4.519 2.434 230 HZ1 LYS 32 3HZ LYS 32 11.810 -3.215 1.493 231 HZ2 LYS 32 1HZ LYS 32 11.628 -3.100 3.176 232 HZ3 LYS 32 2HZ LYS 32 11.128 -1.824 2.179 233 H ILE 33 H ILE 33 5.322 -0.784 1.594 234 HA ILE 33 HA ILE 33 4.300 -1.830 -0.827 235 HB ILE 33 HB ILE 33 2.636 -0.962 1.543 236 HG12 ILE 33 2HG1 ILE 33 4.078 -3.599 1.179 237 HG13 ILE 33 1HG1 ILE 33 4.575 -2.327 2.292 238 HG21 ILE 33 1HG2 ILE 33 1.350 -1.629 -0.397 239 HG22 ILE 33 2HG2 ILE 33 1.208 -2.860 0.861 240 HG23 ILE 33 3HG2 ILE 33 2.267 -3.129 -0.524 241 HD11 ILE 33 3HD1 ILE 33 1.967 -3.827 2.399 242 HD12 ILE 33 1HD1 ILE 33 2.499 -2.583 3.528 243 HD13 ILE 33 2HD1 ILE 33 3.370 -4.114 3.430 244 H ALA 34 H ALA 34 3.739 1.187 0.924 245 HA ALA 34 HA ALA 34 1.706 2.183 -0.758 246 HB1 ALA 34 3HB ALA 34 2.061 2.981 1.524 247 HB2 ALA 34 1HB ALA 34 2.077 4.310 0.365 248 HB3 ALA 34 2HB ALA 34 3.592 3.707 1.035 249 H THR 35 H THR 35 5.222 2.590 -0.797 250 HA THR 35 HA THR 35 5.298 4.629 -2.746 251 HB THR 35 HB THR 35 7.417 2.535 -2.193 252 HG1 THR 35 1HG THR 35 6.738 3.804 -0.334 253 HG21 THR 35 3HG2 THR 35 7.608 5.286 -3.426 254 HG22 THR 35 1HG2 THR 35 7.832 3.749 -4.263 255 HG23 THR 35 2HG2 THR 35 8.979 4.252 -3.021 256 H ALA 36 H ALA 36 5.389 1.101 -2.977 257 HA ALA 36 HA ALA 36 5.949 0.946 -5.725 258 HB1 ALA 36 3HB ALA 36 6.233 -0.942 -4.221 259 HB2 ALA 36 1HB ALA 36 5.175 -1.363 -5.566 260 HB3 ALA 36 2HB ALA 36 4.486 -1.024 -3.979 261 H LEU 37 H LEU 37 2.841 0.957 -3.978 262 HA LEU 37 HA LEU 37 1.326 0.677 -6.370 263 HG LEU 37 HG LEU 37 1.353 1.943 -2.883 264 HB2 LEU 37 2HB LEU 37 -0.622 1.128 -4.971 265 HB3 LEU 37 1HB LEU 37 0.409 -0.095 -4.272 266 HD11 LEU 37 1HD1 LEU 37 0.068 3.665 -4.033 267 HD12 LEU 37 2HD1 LEU 37 -0.394 3.564 -2.334 268 HD13 LEU 37 3HD1 LEU 37 -1.434 2.863 -3.574 269 HD21 LEU 37 3HD2 LEU 37 -0.288 1.437 -1.134 270 HD22 LEU 37 1HD2 LEU 37 0.297 -0.026 -1.931 271 HD23 LEU 37 2HD2 LEU 37 -1.297 0.619 -2.326 272 H LEU 38 H LEU 38 2.641 3.364 -4.618 273 HA LEU 38 HA LEU 38 1.026 5.379 -5.828 274 HG LEU 38 HG LEU 38 2.958 7.706 -5.817 275 HB2 LEU 38 2HB LEU 38 2.348 5.622 -3.711 276 HB3 LEU 38 1HB LEU 38 3.803 5.656 -4.683 277 HD11 LEU 38 1HD1 LEU 38 1.076 8.910 -4.844 278 HD12 LEU 38 2HD1 LEU 38 0.791 7.576 -3.725 279 HD13 LEU 38 3HD1 LEU 38 0.572 7.336 -5.457 280 HD21 LEU 38 3HD2 LEU 38 3.355 9.217 -3.931 281 HD22 LEU 38 1HD2 LEU 38 4.509 7.883 -3.946 282 HD23 LEU 38 2HD2 LEU 38 3.161 7.870 -2.810 283 H LYS 39 H LYS 39 3.813 3.595 -6.782 284 HA LYS 39 HA LYS 39 4.511 5.471 -8.888 285 HB2 LYS 39 2HB LYS 39 5.766 2.896 -7.950 286 HB3 LYS 39 1HB LYS 39 6.357 3.836 -9.307 287 HG2 LYS 39 2HG LYS 39 6.715 5.750 -7.818 288 HG3 LYS 39 1HG LYS 39 6.158 4.776 -6.459 289 HD2 LYS 39 2HD LYS 39 8.573 4.829 -6.497 290 HD3 LYS 39 1HD LYS 39 8.009 3.198 -6.866 291 HE2 LYS 39 2HE LYS 39 8.445 3.494 -9.190 292 HE3 LYS 39 1HE LYS 39 8.752 5.216 -8.975 293 HZ1 LYS 39 3HZ LYS 39 10.799 3.929 -9.217 294 HZ2 LYS 39 1HZ LYS 39 10.412 3.030 -7.828 295 HZ3 LYS 39 2HZ LYS 39 10.717 4.695 -7.704 296 H THR 40 H THR 40 2.490 2.835 -8.443 297 HA THR 40 HA THR 40 2.245 2.535 -11.345 298 HB THR 40 HB THR 40 1.616 0.121 -10.964 299 HG1 THR 40 1HG THR 40 2.944 0.489 -8.460 300 HG21 THR 40 3HG2 THR 40 4.442 0.936 -10.279 301 HG22 THR 40 1HG2 THR 40 3.782 0.715 -11.899 302 HG23 THR 40 2HG2 THR 40 3.942 -0.668 -10.817 303 H ALA 41 H ALA 41 0.385 0.644 -9.151 304 HA ALA 41 HA ALA 41 -1.840 0.411 -8.785 305 HB1 ALA 41 3HB ALA 41 -3.101 2.376 -8.134 306 HB2 ALA 41 1HB ALA 41 -1.865 3.423 -8.831 307 HB3 ALA 41 2HB ALA 41 -1.482 2.419 -7.433 308 H ILE 42 H ILE 42 -1.678 3.201 -10.960 309 HA ILE 42 HA ILE 42 -4.142 2.603 -12.240 310 HB ILE 42 HB ILE 42 -3.491 4.484 -13.726 311 HG12 ILE 42 2HG1 ILE 42 -0.977 4.430 -12.053 312 HG13 ILE 42 1HG1 ILE 42 -1.093 4.198 -13.793 313 HG21 ILE 42 1HG2 ILE 42 -3.227 4.975 -10.771 314 HG22 ILE 42 2HG2 ILE 42 -4.729 4.905 -11.693 315 HG23 ILE 42 3HG2 ILE 42 -3.580 6.210 -11.978 316 HD11 ILE 42 3HD1 ILE 42 -0.228 6.398 -13.237 317 HD12 ILE 42 1HD1 ILE 42 -1.690 6.750 -12.314 318 HD13 ILE 42 2HD1 ILE 42 -1.784 6.517 -14.060 319 H GLU 43 H GLU 43 -4.128 2.759 -14.747 320 HA GLU 43 HA GLU 43 -1.984 1.308 -16.032 321 HB2 GLU 43 2HB GLU 43 -3.493 -0.462 -16.896 322 HB3 GLU 43 1HB GLU 43 -3.277 -0.544 -15.152 323 HG2 GLU 43 2HG GLU 43 -5.451 0.785 -15.001 324 HG3 GLU 43 1HG GLU 43 -5.671 0.378 -16.703 325 H ILE 44 H ILE 44 -2.000 1.569 -18.272 326 HA ILE 44 HA ILE 44 -3.965 3.520 -19.226 327 HB ILE 44 HB ILE 44 -2.128 4.128 -20.882 328 HG12 ILE 44 2HG1 ILE 44 -0.406 2.750 -18.818 329 HG13 ILE 44 1HG1 ILE 44 -0.693 2.164 -20.453 330 HG21 ILE 44 1HG2 ILE 44 -2.815 5.588 -19.073 331 HG22 ILE 44 2HG2 ILE 44 -1.070 5.674 -19.312 332 HG23 ILE 44 3HG2 ILE 44 -1.730 4.748 -17.966 333 HD11 ILE 44 3HD1 ILE 44 1.468 3.252 -20.276 334 HD12 ILE 44 1HD1 ILE 44 0.694 4.733 -19.716 335 HD13 ILE 44 2HD1 ILE 44 0.403 4.152 -21.355 336 H VAL 45 H VAL 45 -5.388 2.532 -20.496 337 HA VAL 45 HA VAL 45 -4.403 0.614 -22.483 338 HB VAL 45 HB VAL 45 -6.700 -0.013 -22.901 339 HG11 VAL 45 1HG1 VAL 45 -6.099 0.052 -19.947 340 HG12 VAL 45 2HG1 VAL 45 -5.580 -1.176 -21.101 341 HG13 VAL 45 3HG1 VAL 45 -7.292 -0.990 -20.723 342 HG21 VAL 45 3HG2 VAL 45 -7.778 2.148 -22.595 343 HG22 VAL 45 1HG2 VAL 45 -7.488 2.059 -20.857 344 HG23 VAL 45 2HG2 VAL 45 -8.575 0.907 -21.629 345 H SER 46 H SER 46 -4.887 0.973 -24.713 346 HA SER 46 HA SER 46 -5.404 3.815 -25.268 347 HG SER 46 HG SER 46 -4.230 3.647 -28.058 348 HB2 SER 46 2HB SER 46 -3.014 3.281 -25.518 349 HB3 SER 46 1HB SER 46 -3.415 2.031 -26.690 350 H GLU 47 H GLU 47 -6.685 4.311 -26.921 351 HA GLU 47 HA GLU 47 -8.090 2.140 -28.268 352 HB2 GLU 47 2HB GLU 47 -8.462 5.142 -28.464 353 HB3 GLU 47 1HB GLU 47 -9.520 3.928 -29.170 354 HG2 GLU 47 2HG GLU 47 -10.093 3.122 -26.944 355 HG3 GLU 47 1HG GLU 47 -9.021 4.328 -26.230 356 H GLU 48 H GLU 48 -8.460 2.558 -30.723 357 HA GLU 48 HA GLU 48 -5.964 2.410 -32.014 358 HB2 GLU 48 2HB GLU 48 -7.988 1.386 -32.939 359 HB3 GLU 48 1HB GLU 48 -8.682 2.980 -33.197 360 HG2 GLU 48 2HG GLU 48 -6.794 3.475 -34.743 361 HG3 GLU 48 1HG GLU 48 -6.287 1.794 -34.574 362 H ASP 49 H ASP 49 -8.449 4.884 -32.475 363 HA ASP 49 HA ASP 49 -6.314 6.869 -32.871 364 HB2 ASP 49 2HB ASP 49 -7.945 8.080 -34.312 365 HB3 ASP 49 1HB ASP 49 -7.469 6.513 -34.940 366 H GLY 50 H GLY 50 -8.374 5.843 -30.689 367 HA2 GLY 50 2HA GLY 50 -9.640 8.307 -29.885 368 HA3 GLY 50 1HA GLY 50 -9.652 6.789 -28.996 369 H GLY 51 H GLY 51 -6.696 6.599 -29.098 370 HA2 GLY 51 2HA GLY 51 -4.839 7.838 -28.224 371 HA3 GLY 51 1HA GLY 51 -5.985 8.816 -27.315 372 H ALA 52 H ALA 52 -3.807 7.665 -26.120 373 HA ALA 52 HA ALA 52 -4.659 5.313 -24.681 374 HB1 ALA 52 3HB ALA 52 -2.284 5.649 -25.170 375 HB2 ALA 52 1HB ALA 52 -2.573 5.570 -23.430 376 HB3 ALA 52 2HB ALA 52 -2.294 7.128 -24.210 377 H HIS 53 H HIS 53 -5.633 5.256 -22.742 378 HA HIS 53 HA HIS 53 -6.185 7.850 -21.444 379 HD1 HIS 53 1HD HIS 53 -8.871 8.958 -22.188 380 HD2 HIS 53 2HD HIS 53 -8.510 5.328 -24.186 381 HE1 HIS 53 1HE HIS 53 -9.800 9.349 -24.477 382 HE2 HIS 53 2HE HIS 53 -9.766 7.090 -25.603 383 HB2 HIS 53 2HB HIS 53 -7.932 5.377 -21.496 384 HB3 HIS 53 1HB HIS 53 -8.312 6.881 -20.666 385 H ASN 54 H ASN 54 -5.673 8.046 -19.344 386 HA ASN 54 HA ASN 54 -4.460 5.754 -17.986 387 HB2 ASN 54 2HB ASN 54 -3.327 8.007 -18.088 388 HB3 ASN 54 1HB ASN 54 -4.620 8.638 -17.075 389 HD21 ASN 54 2HD2 ASN 54 -1.585 7.598 -15.107 390 HD22 ASN 54 1HD2 ASN 54 -1.783 8.519 -16.555 391 H GLN 55 H GLN 55 -5.708 4.539 -16.712 392 HA GLN 55 HA GLN 55 -8.253 5.635 -15.773 393 HB2 GLN 55 2HB GLN 55 -7.215 2.857 -16.194 394 HB3 GLN 55 1HB GLN 55 -8.575 3.125 -15.119 395 HG2 GLN 55 2HG GLN 55 -9.233 2.474 -17.401 396 HG3 GLN 55 1HG GLN 55 -9.887 4.034 -16.908 397 HE21 GLN 55 2HE2 GLN 55 -7.187 3.763 -19.930 398 HE22 GLN 55 1HE2 GLN 55 -7.478 2.438 -18.858 399 H CYS 56 H CYS 56 -8.172 6.565 -13.837 400 HA CYS 56 HA CYS 56 -6.521 5.531 -11.707 401 HG CYS 56 HG CYS 56 -6.284 8.176 -13.278 402 HB2 CYS 56 2HB CYS 56 -8.743 7.592 -11.651 403 HB3 CYS 56 1HB CYS 56 -7.645 7.236 -10.321 404 H LYS 57 H LYS 57 -7.073 3.532 -11.172 405 HA LYS 57 HA LYS 57 -9.413 2.195 -11.580 406 HB2 LYS 57 2HB LYS 57 -7.546 1.668 -9.268 407 HB3 LYS 57 1HB LYS 57 -8.590 0.506 -10.072 408 HG2 LYS 57 2HG LYS 57 -6.327 1.930 -11.450 409 HG3 LYS 57 1HG LYS 57 -6.164 0.363 -10.663 410 HD2 LYS 57 2HD LYS 57 -8.104 0.961 -12.890 411 HD3 LYS 57 1HD LYS 57 -6.517 0.224 -13.118 412 HE2 LYS 57 2HE LYS 57 -7.251 -1.563 -11.495 413 HE3 LYS 57 1HE LYS 57 -8.874 -0.888 -11.610 414 HZ1 LYS 57 3HZ LYS 57 -8.569 -2.751 -13.116 415 HZ2 LYS 57 1HZ LYS 57 -7.276 -1.959 -13.879 416 HZ3 LYS 57 2HZ LYS 57 -8.851 -1.329 -13.988 417 H LEU 58 H LEU 58 -8.447 3.738 -8.533 418 HA LEU 58 HA LEU 58 -10.565 2.717 -7.013 419 HG LEU 58 HG LEU 58 -8.938 2.330 -5.238 420 HB2 LEU 58 2HB LEU 58 -8.696 5.021 -6.589 421 HB3 LEU 58 1HB LEU 58 -9.950 4.635 -5.429 422 HD11 LEU 58 1HD1 LEU 58 -6.628 2.041 -5.952 423 HD12 LEU 58 2HD1 LEU 58 -6.662 3.619 -6.739 424 HD13 LEU 58 3HD1 LEU 58 -7.687 2.314 -7.335 425 HD21 LEU 58 3HD2 LEU 58 -8.586 4.026 -3.556 426 HD22 LEU 58 1HD2 LEU 58 -7.254 4.708 -4.489 427 HD23 LEU 58 2HD2 LEU 58 -7.108 3.093 -3.794 428 H CYS 59 H CYS 59 -10.240 5.903 -8.590 429 HA CYS 59 HA CYS 59 -12.883 6.604 -7.561 430 HG CYS 59 HG CYS 59 -10.510 9.257 -10.263 431 HB2 CYS 59 2HB CYS 59 -12.322 8.886 -8.481 432 HB3 CYS 59 1HB CYS 59 -11.261 8.309 -7.199 433 H GLY 60 H GLY 60 -11.698 5.090 -10.218 434 HA2 GLY 60 2HA GLY 60 -12.608 4.552 -12.254 435 HA3 GLY 60 1HA GLY 60 -14.121 5.211 -11.651 436 H ALA 61 H ALA 61 -11.157 7.051 -11.927 437 HA ALA 61 HA ALA 61 -12.527 8.791 -13.857 438 HB1 ALA 61 3HB ALA 61 -10.205 9.423 -12.033 439 HB2 ALA 61 1HB ALA 61 -11.889 9.866 -11.751 440 HB3 ALA 61 2HB ALA 61 -11.012 10.559 -13.115 441 H SER 62 H SER 62 -11.755 9.042 -15.853 442 HA SER 62 HA SER 62 -9.145 7.826 -16.452 443 HG SER 62 HG SER 62 -11.930 8.941 -18.694 444 HB2 SER 62 2HB SER 62 -10.111 7.701 -18.830 445 HB3 SER 62 1HB SER 62 -10.765 6.584 -17.635 446 H VAL 63 H VAL 63 -7.597 9.055 -17.294 447 HA VAL 63 HA VAL 63 -8.308 11.738 -18.269 448 HB VAL 63 HB VAL 63 -7.517 11.965 -15.969 449 HG11 VAL 63 1HG1 VAL 63 -6.213 9.938 -15.767 450 HG12 VAL 63 2HG1 VAL 63 -5.230 11.335 -15.335 451 HG13 VAL 63 3HG1 VAL 63 -5.021 10.562 -16.907 452 HG21 VAL 63 3HG2 VAL 63 -5.437 12.894 -17.949 453 HG22 VAL 63 1HG2 VAL 63 -5.675 13.535 -16.322 454 HG23 VAL 63 2HG2 VAL 63 -6.932 13.735 -17.543 455 HA PRO 64 HA PRO 64 -5.886 10.649 -21.856 456 HB2 PRO 64 1HB PRO 64 -5.725 12.587 -23.088 457 HB3 PRO 64 2HB PRO 64 -5.104 13.523 -21.724 458 HG2 PRO 64 2HG PRO 64 -7.294 14.297 -21.790 459 HG3 PRO 64 1HG PRO 64 -7.921 12.740 -22.363 460 HD2 PRO 64 2HD PRO 64 -7.190 13.591 -19.598 461 HD3 PRO 64 1HD PRO 64 -8.487 12.507 -20.142 462 H TRP 65 H TRP 65 -3.806 10.125 -22.297 463 HA TRP 65 HA TRP 65 -1.967 9.906 -20.191 464 HD1 TRP 65 HD TRP 65 -3.448 9.408 -24.236 465 HE1 TRP 65 1HE TRP 65 -2.583 10.275 -26.505 466 HE3 TRP 65 3HE TRP 65 1.446 10.191 -22.982 467 HZ2 TRP 65 2HZ TRP 65 -0.151 11.176 -27.602 468 HZ3 TRP 65 3HZ TRP 65 2.976 11.059 -24.702 469 HH2 TRP 65 HH TRP 65 2.194 11.541 -26.964 470 HB2 TRP 65 2HB TRP 65 -0.425 9.021 -21.863 471 HB3 TRP 65 1HB TRP 65 -2.040 8.369 -22.099 472 H LEU 66 H LEU 66 -2.654 12.592 -22.026 473 HA LEU 66 HA LEU 66 -0.051 13.724 -22.263 474 HG LEU 66 HG LEU 66 -2.339 13.395 -24.259 475 HB2 LEU 66 2HB LEU 66 -2.784 14.986 -22.416 476 HB3 LEU 66 1HB LEU 66 -1.287 15.815 -22.793 477 HD11 LEU 66 1HD1 LEU 66 -2.778 14.951 -26.086 478 HD12 LEU 66 2HD1 LEU 66 -2.271 16.298 -25.066 479 HD13 LEU 66 3HD1 LEU 66 -3.712 15.368 -24.652 480 HD21 LEU 66 3HD2 LEU 66 -0.561 13.910 -25.873 481 HD22 LEU 66 1HD2 LEU 66 0.088 13.506 -24.284 482 HD23 LEU 66 2HD2 LEU 66 0.023 15.188 -24.808 483 H GLN 67 H GLN 67 -2.257 13.441 -19.663 484 HA GLN 67 HA GLN 67 -0.942 15.632 -18.219 485 HB2 GLN 67 2HB GLN 67 -3.538 14.204 -17.836 486 HB3 GLN 67 1HB GLN 67 -2.758 14.947 -16.447 487 HG2 GLN 67 2HG GLN 67 -2.663 17.075 -17.835 488 HG3 GLN 67 1HG GLN 67 -3.782 16.271 -18.936 489 HE21 GLN 67 2HE2 GLN 67 -6.578 16.670 -16.883 490 HE22 GLN 67 1HE2 GLN 67 -5.902 15.975 -18.325 491 H THR 68 H THR 68 -0.755 15.101 -15.768 492 HA THR 68 HA THR 68 1.152 12.954 -15.578 493 HB THR 68 HB THR 68 0.123 14.695 -13.331 494 HG1 THR 68 1HG THR 68 0.850 16.091 -14.932 495 HG21 THR 68 3HG2 THR 68 2.355 14.302 -12.380 496 HG22 THR 68 1HG2 THR 68 2.762 13.277 -13.757 497 HG23 THR 68 2HG2 THR 68 1.492 12.784 -12.636 498 H GLY 69 H GLY 69 -2.198 13.351 -14.871 499 HA2 GLY 69 2HA GLY 69 -3.595 11.449 -14.526 500 HA3 GLY 69 1HA GLY 69 -2.237 10.632 -13.766 501 H ASP 70 H ASP 70 -1.397 12.218 -11.818 502 HA ASP 70 HA ASP 70 -3.477 12.014 -9.873 503 HB2 ASP 70 2HB ASP 70 -1.094 11.630 -9.326 504 HB3 ASP 70 1HB ASP 70 -0.757 13.329 -9.633 505 H GLU 71 H GLU 71 -2.624 14.391 -12.076 506 HA GLU 71 HA GLU 71 -3.152 16.756 -10.647 507 HB2 GLU 71 2HB GLU 71 -3.265 16.146 -13.598 508 HB3 GLU 71 1HB GLU 71 -3.400 17.764 -12.920 509 HG2 GLU 71 2HG GLU 71 -1.044 15.932 -12.551 510 HG3 GLU 71 1HG GLU 71 -1.139 17.242 -13.728 511 H ILE 72 H ILE 72 -5.265 14.507 -12.327 512 HA ILE 72 HA ILE 72 -7.547 16.216 -12.261 513 HB ILE 72 HB ILE 72 -7.411 14.253 -13.786 514 HG12 ILE 72 2HG1 ILE 72 -9.750 14.144 -11.871 515 HG13 ILE 72 1HG1 ILE 72 -9.578 15.296 -13.189 516 HG21 ILE 72 1HG2 ILE 72 -6.368 12.644 -12.301 517 HG22 ILE 72 2HG2 ILE 72 -7.894 12.013 -12.920 518 HG23 ILE 72 3HG2 ILE 72 -7.802 12.637 -11.274 519 HD11 ILE 72 3HD1 ILE 72 -11.077 13.480 -13.788 520 HD12 ILE 72 1HD1 ILE 72 -9.795 12.308 -13.480 521 HD13 ILE 72 2HD1 ILE 72 -9.632 13.466 -14.799 522 H LYS 73 H LYS 73 -9.184 16.319 -10.718 523 HA LYS 73 HA LYS 73 -8.216 16.045 -8.073 524 HB2 LYS 73 2HB LYS 73 -10.966 16.749 -9.095 525 HB3 LYS 73 1HB LYS 73 -10.483 16.845 -7.405 526 HG2 LYS 73 2HG LYS 73 -9.342 18.421 -9.708 527 HG3 LYS 73 1HG LYS 73 -10.341 19.034 -8.385 528 HD2 LYS 73 2HD LYS 73 -8.607 18.576 -6.787 529 HD3 LYS 73 1HD LYS 73 -7.638 17.746 -8.004 530 HE2 LYS 73 2HE LYS 73 -6.735 19.945 -7.623 531 HE3 LYS 73 1HE LYS 73 -7.434 19.872 -9.239 532 HZ1 LYS 73 3HZ LYS 73 -8.930 20.935 -6.915 533 HZ2 LYS 73 1HZ LYS 73 -9.280 21.133 -8.566 534 HZ3 LYS 73 2HZ LYS 73 -7.939 21.918 -7.880 535 H HIS 74 H HIS 74 -8.007 14.229 -7.063 536 HA HIS 74 HA HIS 74 -9.699 11.951 -7.641 537 HD1 HIS 74 1HD HIS 74 -6.161 12.981 -8.345 538 HD2 HIS 74 2HD HIS 74 -7.538 9.082 -7.913 539 HE1 HIS 74 1HE HIS 74 -5.064 11.671 -10.180 540 HE2 HIS 74 2HE HIS 74 -6.069 9.375 -10.025 541 HB2 HIS 74 2HB HIS 74 -7.238 12.332 -5.936 542 HB3 HIS 74 1HB HIS 74 -8.164 10.838 -5.921 543 H ALA 75 H ALA 75 -10.966 10.887 -6.115 544 HA ALA 75 HA ALA 75 -12.298 12.571 -4.259 545 HB1 ALA 75 3HB ALA 75 -13.652 10.618 -3.758 546 HB2 ALA 75 1HB ALA 75 -12.513 9.585 -4.619 547 HB3 ALA 75 2HB ALA 75 -13.447 10.790 -5.502 548 H ASP 76 H ASP 76 -12.490 12.244 -2.002 549 HA ASP 76 HA ASP 76 -9.963 11.666 -0.750 550 HB2 ASP 76 2HB ASP 76 -12.612 12.522 0.437 551 HB3 ASP 76 1HB ASP 76 -11.074 12.482 1.281 552 H ASP 77 H ASP 77 -12.772 9.983 -1.489 553 HA ASP 77 HA ASP 77 -12.685 8.110 0.697 554 HB2 ASP 77 2HB ASP 77 -14.206 8.031 -1.919 555 HB3 ASP 77 1HB ASP 77 -14.424 6.898 -0.588 556 H CYS 78 H CYS 78 -10.736 8.617 -1.862 557 HA CYS 78 HA CYS 78 -10.099 5.816 -2.351 558 HG CYS 78 HG CYS 78 -11.508 6.739 -4.465 559 HB2 CYS 78 2HB CYS 78 -8.772 8.332 -3.394 560 HB3 CYS 78 1HB CYS 78 -8.447 6.692 -3.941 561 HA PRO 79 HA PRO 79 -7.555 5.974 1.319 562 HB2 PRO 79 1HB PRO 79 -7.871 3.763 1.678 563 HB3 PRO 79 2HB PRO 79 -6.317 3.543 0.872 564 HG2 PRO 79 2HG PRO 79 -7.289 3.014 -1.156 565 HG3 PRO 79 1HG PRO 79 -8.556 2.410 -0.070 566 HD2 PRO 79 2HD PRO 79 -9.086 4.193 -2.002 567 HD3 PRO 79 1HD PRO 79 -9.911 4.251 -0.431 568 H VAL 80 H VAL 80 -6.437 6.162 -1.854 569 HA VAL 80 HA VAL 80 -3.648 5.926 -1.493 570 HB VAL 80 HB VAL 80 -5.152 7.669 -3.463 571 HG11 VAL 80 1HG1 VAL 80 -2.829 8.374 -3.225 572 HG12 VAL 80 2HG1 VAL 80 -3.100 7.614 -4.792 573 HG13 VAL 80 3HG1 VAL 80 -2.288 6.719 -3.506 574 HG21 VAL 80 3HG2 VAL 80 -4.010 4.898 -3.798 575 HG22 VAL 80 1HG2 VAL 80 -4.838 5.844 -5.035 576 HG23 VAL 80 2HG2 VAL 80 -5.720 5.287 -3.613 577 H VAL 81 H VAL 81 -5.929 8.524 -0.860 578 HA VAL 81 HA VAL 81 -4.061 10.589 -0.429 579 HB VAL 81 HB VAL 81 -5.823 11.668 0.934 580 HG11 VAL 81 1HG1 VAL 81 -5.794 11.953 -1.490 581 HG12 VAL 81 2HG1 VAL 81 -7.447 11.943 -0.874 582 HG13 VAL 81 3HG1 VAL 81 -6.797 10.513 -1.677 583 HG21 VAL 81 3HG2 VAL 81 -6.813 9.736 1.992 584 HG22 VAL 81 1HG2 VAL 81 -7.359 9.125 0.430 585 HG23 VAL 81 2HG2 VAL 81 -8.044 10.612 1.084 586 H ILE 82 H ILE 82 -5.363 8.098 1.649 587 HA ILE 82 HA ILE 82 -4.083 8.885 4.044 588 HB ILE 82 HB ILE 82 -4.962 6.125 3.159 589 HG12 ILE 82 2HG1 ILE 82 -6.784 7.805 3.272 590 HG13 ILE 82 1HG1 ILE 82 -6.964 6.534 4.477 591 HG21 ILE 82 1HG2 ILE 82 -4.901 5.528 5.526 592 HG22 ILE 82 2HG2 ILE 82 -4.262 7.123 5.918 593 HG23 ILE 82 3HG2 ILE 82 -3.304 6.007 4.946 594 HD11 ILE 82 3HD1 ILE 82 -7.503 8.693 5.420 595 HD12 ILE 82 1HD1 ILE 82 -5.913 9.313 4.966 596 HD13 ILE 82 2HD1 ILE 82 -6.051 8.039 6.178 597 H ALA 83 H ALA 83 -3.196 6.622 1.464 598 HA ALA 83 HA ALA 83 -0.819 5.642 2.522 599 HB1 ALA 83 3HB ALA 83 -0.212 5.068 0.223 600 HB2 ALA 83 1HB ALA 83 -1.500 6.114 -0.377 601 HB3 ALA 83 2HB ALA 83 -1.898 4.676 0.564 602 H LYS 84 H LYS 84 -1.327 8.460 0.409 603 HA LYS 84 HA LYS 84 1.331 9.288 0.206 604 HB2 LYS 84 2HB LYS 84 -1.197 10.936 0.250 605 HB3 LYS 84 1HB LYS 84 0.383 11.585 -0.149 606 HG2 LYS 84 2HG LYS 84 0.505 9.998 -2.045 607 HG3 LYS 84 1HG LYS 84 -1.149 9.493 -1.676 608 HD2 LYS 84 2HD LYS 84 -1.904 11.812 -1.989 609 HD3 LYS 84 1HD LYS 84 -0.254 12.289 -2.387 610 HE2 LYS 84 2HE LYS 84 -0.308 10.737 -4.310 611 HE3 LYS 84 1HE LYS 84 -1.990 10.362 -3.928 612 HZ1 LYS 84 3HZ LYS 84 -1.952 12.022 -5.635 613 HZ2 LYS 84 1HZ LYS 84 -0.890 13.002 -4.739 614 HZ3 LYS 84 2HZ LYS 84 -2.475 12.763 -4.204 615 H GLN 85 H GLN 85 -1.127 10.130 2.602 616 HA GLN 85 HA GLN 85 0.394 11.943 4.094 617 HB2 GLN 85 2HB GLN 85 -2.016 10.256 4.645 618 HB3 GLN 85 1HB GLN 85 -1.284 11.193 5.931 619 HG2 GLN 85 2HG GLN 85 -1.673 13.238 4.748 620 HG3 GLN 85 1HG GLN 85 -2.241 12.352 3.332 621 HE21 GLN 85 2HE2 GLN 85 -5.470 11.894 4.502 622 HE22 GLN 85 1HE2 GLN 85 -4.275 11.505 3.311 623 H ILE 86 H ILE 86 0.242 8.461 4.116 624 HA ILE 86 HA ILE 86 1.546 8.148 6.639 625 HB ILE 86 HB ILE 86 0.989 6.211 4.401 626 HG12 ILE 86 2HG1 ILE 86 -0.177 6.539 7.174 627 HG13 ILE 86 1HG1 ILE 86 -0.960 6.997 5.665 628 HG21 ILE 86 1HG2 ILE 86 3.016 5.472 5.516 629 HG22 ILE 86 2HG2 ILE 86 1.670 4.414 5.937 630 HG23 ILE 86 3HG2 ILE 86 2.232 5.626 7.089 631 HD11 ILE 86 3HD1 ILE 86 -0.951 4.629 4.988 632 HD12 ILE 86 1HD1 ILE 86 -1.870 4.925 6.462 633 HD13 ILE 86 2HD1 ILE 86 -0.261 4.212 6.556 634 H LEU 87 H LEU 87 2.621 7.823 3.248 635 HA LEU 87 HA LEU 87 5.296 7.205 4.060 636 HG LEU 87 HG LEU 87 2.949 8.174 1.399 637 HB2 LEU 87 2HB LEU 87 5.818 7.341 1.631 638 HB3 LEU 87 1HB LEU 87 4.546 6.214 2.048 639 HD11 LEU 87 1HD1 LEU 87 4.663 9.880 1.174 640 HD12 LEU 87 2HD1 LEU 87 3.847 9.603 -0.365 641 HD13 LEU 87 3HD1 LEU 87 5.456 8.936 -0.087 642 HD21 LEU 87 3HD2 LEU 87 3.116 6.041 0.226 643 HD22 LEU 87 1HD2 LEU 87 4.506 6.641 -0.677 644 HD23 LEU 87 2HD2 LEU 87 2.922 7.383 -0.902 645 H SER 88 H SER 88 3.603 10.131 3.630 646 HA SER 88 HA SER 88 6.093 11.645 3.423 647 HG SER 88 HG SER 88 4.187 13.302 1.170 648 HB2 SER 88 2HB SER 88 3.188 12.430 3.204 649 HB3 SER 88 1HB SER 88 4.481 13.617 3.306 650 H SER 89 H SER 89 4.669 10.128 5.791 651 HA SER 89 HA SER 89 4.384 10.330 8.026 652 HG SER 89 HG SER 89 6.473 12.791 6.878 653 HB2 SER 89 2HB SER 89 6.239 11.557 9.204 654 HB3 SER 89 1HB SER 89 6.770 10.350 8.036 655 H ARG 90 H ARG 90 2.324 11.430 7.636 656 HA ARG 90 HA ARG 90 2.067 14.243 7.878 657 HE ARG 90 HE ARG 90 -1.425 9.489 8.920 658 HB2 ARG 90 2HB ARG 90 -0.327 13.772 8.339 659 HB3 ARG 90 1HB ARG 90 0.272 12.959 6.901 660 HG2 ARG 90 2HG ARG 90 0.389 10.863 8.059 661 HG3 ARG 90 1HG ARG 90 -0.012 11.640 9.593 662 HD2 ARG 90 2HD ARG 90 -2.215 12.127 8.874 663 HD3 ARG 90 1HD ARG 90 -1.839 11.709 7.202 664 HH11 ARG 90 1HH1 ARG 90 -3.957 11.356 7.394 665 HH12 ARG 90 2HH1 ARG 90 -5.074 10.029 7.330 666 HH21 ARG 90 2HH2 ARG 90 -4.462 7.952 8.132 667 HH22 ARG 90 1HH2 ARG 90 -2.883 7.716 8.812 668 HA PRO 91 HA PRO 91 2.199 14.481 12.353 669 HB2 PRO 91 1HB PRO 91 3.525 16.337 11.902 670 HB3 PRO 91 2HB PRO 91 2.092 17.140 12.554 671 HG2 PRO 91 2HG PRO 91 1.386 17.836 10.488 672 HG3 PRO 91 1HG PRO 91 3.101 17.673 10.083 673 HD2 PRO 91 2HD PRO 91 0.937 16.218 8.971 674 HD3 PRO 91 1HD PRO 91 2.667 15.919 8.718 675 H LYS 92 H LYS 92 0.865 16.065 13.952 676 HA LYS 92 HA LYS 92 -1.901 15.402 13.659 677 HB2 LYS 92 2HB LYS 92 -0.747 15.599 15.855 678 HB3 LYS 92 1HB LYS 92 -0.581 17.326 15.586 679 HG2 LYS 92 2HG LYS 92 -3.048 17.513 15.518 680 HG3 LYS 92 1HG LYS 92 -3.153 15.798 15.923 681 HD2 LYS 92 2HD LYS 92 -1.897 16.242 18.001 682 HD3 LYS 92 1HD LYS 92 -1.876 17.959 17.599 683 HE2 LYS 92 2HE LYS 92 -3.646 17.653 19.140 684 HE3 LYS 92 1HE LYS 92 -4.395 17.861 17.557 685 HZ1 LYS 92 3HZ LYS 92 -3.991 15.308 19.018 686 HZ2 LYS 92 1HZ LYS 92 -4.558 15.408 17.420 687 HZ3 LYS 92 2HZ LYS 92 -5.467 16.074 18.687 688 H LEU 93 H LEU 93 -3.182 16.414 12.245 689 HA LEU 93 HA LEU 93 -3.088 19.321 12.030 690 HG LEU 93 HG LEU 93 -4.033 19.591 9.118 691 HB2 LEU 93 2HB LEU 93 -1.518 18.437 10.328 692 HB3 LEU 93 1HB LEU 93 -2.822 17.481 9.650 693 HD11 LEU 93 1HD1 LEU 93 -3.031 21.050 10.764 694 HD12 LEU 93 2HD1 LEU 93 -2.751 21.687 9.143 695 HD13 LEU 93 3HD1 LEU 93 -1.450 20.864 10.005 696 HD21 LEU 93 3HD2 LEU 93 -2.607 20.183 7.216 697 HD22 LEU 93 1HD2 LEU 93 -2.713 18.435 7.432 698 HD23 LEU 93 2HD2 LEU 93 -1.267 19.300 7.951 699 H HIS 94 H HIS 94 -5.063 20.208 11.627 700 HA HIS 94 HA HIS 94 -7.346 18.421 11.481 701 HD1 HIS 94 1HD HIS 94 -5.862 21.443 13.866 702 HD2 HIS 94 2HD HIS 94 -9.327 19.145 13.958 703 HE1 HIS 94 1HE HIS 94 -6.261 20.911 16.297 704 HE2 HIS 94 2HE HIS 94 -8.295 19.414 16.311 705 HB2 HIS 94 2HB HIS 94 -7.162 21.437 11.660 706 HB3 HIS 94 1HB HIS 94 -8.680 20.547 11.603 707 H ALA 95 H ALA 95 -6.694 17.598 9.376 708 HA ALA 95 HA ALA 95 -7.842 19.232 7.228 709 HB1 ALA 95 3HB ALA 95 -5.203 17.783 7.038 710 HB2 ALA 95 1HB ALA 95 -5.429 19.532 7.092 711 HB3 ALA 95 2HB ALA 95 -6.026 18.608 5.713 712 H VAL 96 H VAL 96 -8.712 16.929 8.834 713 HA VAL 96 HA VAL 96 -8.767 14.755 6.878 714 HB VAL 96 HB VAL 96 -9.826 14.762 9.714 715 HG11 VAL 96 1HG1 VAL 96 -9.261 12.487 7.818 716 HG12 VAL 96 2HG1 VAL 96 -10.857 13.089 8.262 717 HG13 VAL 96 3HG1 VAL 96 -9.829 12.333 9.480 718 HG21 VAL 96 3HG2 VAL 96 -7.196 13.710 8.669 719 HG22 VAL 96 1HG2 VAL 96 -7.805 13.511 10.312 720 HG23 VAL 96 2HG2 VAL 96 -7.408 15.119 9.708 721 HA MET 1 HA MET 1 -15.246 -17.174 -21.055 722 H1 MET 1 1H MET 1 -17.233 -17.114 -22.393 723 H2 MET 1 2H MET 1 -15.876 -17.446 -23.350 724 H3 MET 1 3H MET 1 -16.573 -15.901 -23.374 725 HB2 MET 1 2HB MET 1 -14.363 -14.874 -22.815 726 HB3 MET 1 1HB MET 1 -13.559 -15.375 -21.337 727 HG2 MET 1 2HG MET 1 -12.307 -16.255 -23.125 728 HG3 MET 1 1HG MET 1 -13.188 -17.608 -22.418 729 HE1 MET 1 3HE MET 1 -13.012 -18.517 -26.237 730 HE2 MET 1 1HE MET 1 -12.628 -19.043 -24.599 731 HE3 MET 1 2HE MET 1 -11.778 -17.669 -25.303 732 H GLY 2 H GLY 2 -16.294 -16.582 -19.283 733 HA2 GLY 2 2HA GLY 2 -16.576 -13.845 -18.572 734 HA3 GLY 2 1HA GLY 2 -18.134 -14.511 -19.045 735 H SER 3 H SER 3 -15.341 -15.544 -17.096 736 HA SER 3 HA SER 3 -17.179 -16.091 -14.888 737 HG SER 3 HG SER 3 -17.834 -18.048 -16.077 738 HB2 SER 3 2HB SER 3 -15.010 -17.999 -15.807 739 HB3 SER 3 1HB SER 3 -16.102 -18.239 -14.441 740 H SER 4 H SER 4 -16.521 -15.034 -13.159 741 HA SER 4 HA SER 4 -13.647 -14.456 -12.861 742 HG SER 4 HG SER 4 -13.860 -11.470 -11.822 743 HB2 SER 4 2HB SER 4 -15.175 -12.480 -13.093 744 HB3 SER 4 1HB SER 4 -15.983 -12.986 -11.610 745 H HIS 5 H HIS 5 -13.184 -14.071 -10.362 746 HA HIS 5 HA HIS 5 -14.555 -16.085 -8.750 747 HD1 HIS 5 1HD HIS 5 -13.793 -19.097 -9.040 748 HD2 HIS 5 2HD HIS 5 -11.578 -16.910 -11.797 749 HE1 HIS 5 1HE HIS 5 -13.721 -20.502 -11.123 750 HE2 HIS 5 2HE HIS 5 -12.235 -19.229 -12.717 751 HB2 HIS 5 2HB HIS 5 -11.549 -16.089 -9.143 752 HB3 HIS 5 1HB HIS 5 -12.437 -17.111 -8.020 753 H HIS 6 H HIS 6 -14.167 -15.866 -6.495 754 HA HIS 6 HA HIS 6 -13.711 -14.832 -4.530 755 HD1 HIS 6 1HD HIS 6 -11.137 -15.006 -2.949 756 HD2 HIS 6 2HD HIS 6 -10.269 -15.330 -7.007 757 HE1 HIS 6 1HE HIS 6 -9.395 -16.820 -3.132 758 HE2 HIS 6 2HE HIS 6 -8.948 -17.053 -5.604 759 HB2 HIS 6 2HB HIS 6 -11.785 -13.181 -6.170 760 HB3 HIS 6 1HB HIS 6 -11.976 -13.015 -4.430 761 H HIS 7 H HIS 7 -15.412 -13.825 -3.769 762 HA HIS 7 HA HIS 7 -16.625 -11.570 -5.004 763 HD1 HIS 7 1HD HIS 7 -17.042 -14.948 -2.338 764 HD2 HIS 7 2HD HIS 7 -16.518 -11.315 -0.382 765 HE1 HIS 7 1HE HIS 7 -16.301 -15.532 -0.009 766 HE2 HIS 7 2HE HIS 7 -15.853 -13.323 1.114 767 HB2 HIS 7 2HB HIS 7 -17.908 -11.373 -2.855 768 HB3 HIS 7 1HB HIS 7 -18.012 -12.955 -3.613 769 H HIS 8 H HIS 8 -15.903 -9.557 -5.023 770 HA HIS 8 HA HIS 8 -13.704 -8.829 -3.307 771 HD1 HIS 8 1HD HIS 8 -14.606 -8.280 -7.634 772 HD2 HIS 8 2HD HIS 8 -11.481 -8.722 -4.923 773 HE1 HIS 8 1HE HIS 8 -12.786 -9.493 -8.882 774 HE2 HIS 8 2HE HIS 8 -11.005 -9.944 -7.151 775 HB2 HIS 8 2HB HIS 8 -15.128 -7.248 -5.456 776 HB3 HIS 8 1HB HIS 8 -13.705 -6.695 -4.579 777 H HIS 9 H HIS 9 -14.887 -9.052 -1.353 778 HA HIS 9 HA HIS 9 -16.268 -6.571 -0.622 779 HD1 HIS 9 1HD HIS 9 -17.669 -9.406 2.495 780 HD2 HIS 9 2HD HIS 9 -19.065 -5.957 0.625 781 HE1 HIS 9 1HE HIS 9 -19.031 -8.196 4.227 782 HE2 HIS 9 2HE HIS 9 -20.026 -6.231 3.015 783 HB2 HIS 9 2HB HIS 9 -18.034 -8.211 -0.930 784 HB3 HIS 9 1HB HIS 9 -17.167 -9.383 0.053 785 H HIS 10 H HIS 10 -14.456 -5.810 0.420 786 HA HIS 10 HA HIS 10 -13.540 -7.404 2.722 787 HD1 HIS 10 1HD HIS 10 -10.179 -4.706 2.813 788 HD2 HIS 10 2HD HIS 10 -10.950 -8.780 3.149 789 HE1 HIS 10 1HE HIS 10 -8.564 -5.564 4.536 790 HE2 HIS 10 2HE HIS 10 -9.233 -7.965 4.903 791 HB2 HIS 10 2HB HIS 10 -11.871 -7.257 0.836 792 HB3 HIS 10 1HB HIS 10 -11.817 -5.518 1.104 793 H SER 11 H SER 11 -14.706 -6.416 4.292 794 HA SER 11 HA SER 11 -14.906 -3.527 4.365 795 HG SER 11 HG SER 11 -17.309 -3.227 5.860 796 HB2 SER 11 2HB SER 11 -16.807 -5.064 4.971 797 HB3 SER 11 1HB SER 11 -15.895 -5.532 6.404 798 H SER 12 H SER 12 -13.058 -2.548 4.934 799 HA SER 12 HA SER 12 -12.104 -2.956 7.637 800 HG SER 12 HG SER 12 -11.587 -5.022 6.687 801 HB2 SER 12 2HB SER 12 -10.252 -3.224 5.254 802 HB3 SER 12 1HB SER 12 -9.721 -3.092 6.930 803 H GLY 13 H GLY 13 -11.984 -1.016 8.516 804 HA2 GLY 13 2HA GLY 13 -10.623 1.158 7.266 805 HA3 GLY 13 1HA GLY 13 -12.366 1.397 7.262 806 H ARG 14 H ARG 14 -13.083 2.556 8.891 807 HA ARG 14 HA ARG 14 -13.477 3.322 10.990 808 HE ARG 14 HE ARG 14 -14.117 1.967 15.715 809 HB2 ARG 14 2HB ARG 14 -13.123 0.784 11.489 810 HB3 ARG 14 1HB ARG 14 -11.578 1.302 12.144 811 HG2 ARG 14 2HG ARG 14 -12.715 2.751 13.730 812 HG3 ARG 14 1HG ARG 14 -14.276 2.283 13.049 813 HD2 ARG 14 2HD ARG 14 -13.750 -0.079 13.658 814 HD3 ARG 14 1HD ARG 14 -12.305 0.511 14.483 815 HH11 ARG 14 1HH1 ARG 14 -14.306 -1.399 14.788 816 HH12 ARG 14 2HH1 ARG 14 -15.426 -1.812 16.051 817 HH21 ARG 14 2HH2 ARG 14 -16.100 -0.222 17.559 818 HH22 ARG 14 1HH2 ARG 14 -15.552 1.416 17.397 819 H GLU 15 H GLU 15 -12.103 4.054 13.077 820 HA GLU 15 HA GLU 15 -10.286 5.991 12.216 821 HB2 GLU 15 2HB GLU 15 -10.579 4.826 14.993 822 HB3 GLU 15 1HB GLU 15 -9.763 6.330 14.598 823 HG2 GLU 15 2HG GLU 15 -11.774 7.136 15.284 824 HG3 GLU 15 1HG GLU 15 -12.097 6.947 13.563 825 H ASN 16 H ASN 16 -8.300 5.765 11.484 826 HA ASN 16 HA ASN 16 -6.821 3.314 11.935 827 HB2 ASN 16 2HB ASN 16 -5.348 4.096 10.192 828 HB3 ASN 16 1HB ASN 16 -7.003 4.397 9.678 829 HD21 ASN 16 2HD2 ASN 16 -4.396 7.429 10.243 830 HD22 ASN 16 1HD2 ASN 16 -3.981 5.772 10.554 831 H LEU 17 H LEU 17 -4.259 3.789 12.112 832 HA LEU 17 HA LEU 17 -3.970 5.543 14.470 833 HG LEU 17 HG LEU 17 -1.347 4.596 15.581 834 HB2 LEU 17 2HB LEU 17 -3.819 3.030 14.817 835 HB3 LEU 17 1HB LEU 17 -2.331 3.082 13.892 836 HD11 LEU 17 1HD1 LEU 17 -2.495 4.914 17.717 837 HD12 LEU 17 2HD1 LEU 17 -3.923 4.107 17.068 838 HD13 LEU 17 3HD1 LEU 17 -3.391 5.642 16.384 839 HD21 LEU 17 3HD2 LEU 17 -1.024 2.175 15.737 840 HD22 LEU 17 1HD2 LEU 17 -2.479 2.046 16.724 841 HD23 LEU 17 2HD2 LEU 17 -1.077 2.929 17.330 842 H TYR 18 H TYR 18 -0.983 4.339 13.806 843 HA TYR 18 HA TYR 18 -0.026 5.840 11.649 844 HD1 TYR 18 2HD TYR 18 0.044 8.305 10.743 845 HD2 TYR 18 1HD TYR 18 2.503 8.183 14.209 846 HE1 TYR 18 2HE TYR 18 1.699 9.728 9.612 847 HE2 TYR 18 1HE TYR 18 4.163 9.608 13.089 848 HH TYR 18 HH TYR 18 3.527 11.404 10.435 849 HB2 TYR 18 2HB TYR 18 -0.832 7.730 13.120 850 HB3 TYR 18 1HB TYR 18 0.375 7.244 14.302 851 H PHE 19 H PHE 19 2.377 5.969 11.657 852 HA PHE 19 HA PHE 19 3.699 3.708 12.528 853 HD1 PHE 19 1HD PHE 19 4.505 2.891 10.834 854 HD2 PHE 19 2HD PHE 19 5.093 6.935 9.652 855 HE1 PHE 19 1HE PHE 19 4.469 2.200 8.476 856 HE2 PHE 19 2HE PHE 19 5.061 6.251 7.288 857 HZ PHE 19 HZ PHE 19 4.749 3.882 6.699 858 HB2 PHE 19 2HB PHE 19 4.763 6.452 11.871 859 HB3 PHE 19 1HB PHE 19 5.814 5.092 12.237 860 H GLN 20 H GLN 20 3.396 6.828 14.174 861 HA GLN 20 HA GLN 20 5.269 6.153 16.219 862 HB2 GLN 20 2HB GLN 20 4.604 8.499 15.438 863 HB3 GLN 20 1HB GLN 20 3.161 8.292 16.422 864 HG2 GLN 20 2HG GLN 20 4.329 8.337 18.398 865 HG3 GLN 20 1HG GLN 20 5.837 7.824 17.641 866 HE21 GLN 20 2HE2 GLN 20 6.865 11.125 17.972 867 HE22 GLN 20 1HE2 GLN 20 7.048 9.478 18.479 868 H GLY 21 H GLY 21 4.940 4.850 17.851 869 HA2 GLY 21 2HA GLY 21 3.732 3.698 19.512 870 HA3 GLY 21 1HA GLY 21 2.233 4.304 18.808 871 H MET 22 H MET 22 1.761 3.531 16.591 872 HA MET 22 HA MET 22 1.467 2.005 14.962 873 HB2 MET 22 2HB MET 22 4.078 2.202 15.089 874 HB3 MET 22 1HB MET 22 3.976 0.567 15.728 875 HG2 MET 22 2HG MET 22 2.986 -0.245 13.750 876 HG3 MET 22 1HG MET 22 2.701 1.383 13.141 877 HE1 MET 22 3HE MET 22 3.877 -0.628 11.229 878 HE2 MET 22 1HE MET 22 5.290 0.192 10.564 879 HE3 MET 22 2HE MET 22 3.793 1.089 10.825 880 H THR 23 H THR 23 3.201 -0.075 17.215 881 HA THR 23 HA THR 23 2.743 -2.099 18.093 882 HB THR 23 HB THR 23 0.682 -2.149 19.537 883 HG1 THR 23 1HG THR 23 0.362 0.591 19.016 884 HG21 THR 23 3HG2 THR 23 2.826 -1.385 20.390 885 HG22 THR 23 1HG2 THR 23 1.521 -0.406 21.061 886 HG23 THR 23 2HG2 THR 23 2.524 0.234 19.758 887 H ASP 24 H ASP 24 -0.656 -1.461 17.299 888 HA ASP 24 HA ASP 24 -0.682 -4.093 15.970 889 HB2 ASP 24 2HB ASP 24 -1.404 -4.369 18.256 890 HB3 ASP 24 1HB ASP 24 -2.559 -3.054 18.095 891 H THR 25 H THR 25 -2.754 -1.227 16.562 892 HA THR 25 HA THR 25 -4.569 -1.712 14.461 893 HB THR 25 HB THR 25 -3.853 0.980 15.655 894 HG1 THR 25 1HG THR 25 -5.829 -0.897 16.502 895 HG21 THR 25 3HG2 THR 25 -6.399 -0.052 14.391 896 HG22 THR 25 1HG2 THR 25 -5.296 1.125 13.677 897 HG23 THR 25 2HG2 THR 25 -6.194 1.533 15.139 898 H ALA 26 H ALA 26 -1.328 -0.554 14.306 899 HA ALA 26 HA ALA 26 -1.488 1.044 11.999 900 HB1 ALA 26 3HB ALA 26 0.807 -0.695 12.877 901 HB2 ALA 26 1HB ALA 26 0.484 0.946 13.433 902 HB3 ALA 26 2HB ALA 26 0.887 0.654 11.742 903 H ALA 27 H ALA 27 -1.620 -2.391 12.427 904 HA ALA 27 HA ALA 27 -1.142 -3.128 9.712 905 HB1 ALA 27 3HB ALA 27 -0.973 -4.747 11.560 906 HB2 ALA 27 1HB ALA 27 -2.132 -5.279 10.341 907 HB3 ALA 27 2HB ALA 27 -2.704 -4.583 11.855 908 H GLU 28 H GLU 28 -3.812 -1.890 11.510 909 HA GLU 28 HA GLU 28 -5.821 -2.629 9.602 910 HB2 GLU 28 2HB GLU 28 -5.897 -0.762 11.978 911 HB3 GLU 28 1HB GLU 28 -7.302 -1.267 11.059 912 HG2 GLU 28 2HG GLU 28 -6.640 -3.647 11.615 913 HG3 GLU 28 1HG GLU 28 -5.509 -2.946 12.769 914 H ASP 29 H ASP 29 -3.873 0.213 10.323 915 HA ASP 29 HA ASP 29 -4.934 2.060 8.531 916 HB2 ASP 29 2HB ASP 29 -2.059 1.483 9.284 917 HB3 ASP 29 1HB ASP 29 -2.513 2.819 8.235 918 H VAL 30 H VAL 30 -2.460 -0.409 7.971 919 HA VAL 30 HA VAL 30 -2.098 0.122 5.234 920 HB VAL 30 HB VAL 30 -1.537 -2.461 6.699 921 HG11 VAL 30 1HG1 VAL 30 -1.510 -2.728 4.277 922 HG12 VAL 30 2HG1 VAL 30 0.123 -2.839 4.935 923 HG13 VAL 30 3HG1 VAL 30 -0.405 -1.362 4.129 924 HG21 VAL 30 3HG2 VAL 30 -0.448 -0.591 7.796 925 HG22 VAL 30 1HG2 VAL 30 0.213 -0.048 6.255 926 HG23 VAL 30 2HG2 VAL 30 0.743 -1.580 6.949 927 H ARG 31 H ARG 31 -4.111 -2.325 6.889 928 HA ARG 31 HA ARG 31 -4.888 -3.592 4.477 929 HE ARG 31 HE ARG 31 -7.783 -3.427 9.837 930 HB2 ARG 31 2HB ARG 31 -6.525 -4.807 5.739 931 HB3 ARG 31 1HB ARG 31 -5.045 -4.708 6.673 932 HG2 ARG 31 2HG ARG 31 -5.999 -3.042 8.118 933 HG3 ARG 31 1HG ARG 31 -7.452 -2.954 7.112 934 HD2 ARG 31 2HD ARG 31 -7.949 -5.287 7.617 935 HD3 ARG 31 1HD ARG 31 -6.488 -5.402 8.592 936 HH11 ARG 31 1HH1 ARG 31 -8.949 -6.497 8.636 937 HH12 ARG 31 2HH1 ARG 31 -10.096 -6.722 9.918 938 HH21 ARG 31 2HH2 ARG 31 -10.314 -5.120 11.554 939 HH22 ARG 31 1HH2 ARG 31 -9.293 -3.710 11.565 940 H LYS 32 H LYS 32 -6.146 -0.827 6.192 941 HA LYS 32 HA LYS 32 -8.625 -0.600 4.883 942 HB2 LYS 32 2HB LYS 32 -7.995 0.716 6.871 943 HB3 LYS 32 1HB LYS 32 -6.803 1.588 5.922 944 HG2 LYS 32 2HG LYS 32 -9.644 1.641 5.039 945 HG3 LYS 32 1HG LYS 32 -9.166 2.610 6.432 946 HD2 LYS 32 2HD LYS 32 -7.456 3.715 5.084 947 HD3 LYS 32 1HD LYS 32 -7.904 2.730 3.691 948 HE2 LYS 32 2HE LYS 32 -9.723 4.666 5.121 949 HE3 LYS 32 1HE LYS 32 -8.876 4.996 3.610 950 HZ1 LYS 32 3HZ LYS 32 -10.093 3.103 2.629 951 HZ2 LYS 32 1HZ LYS 32 -11.115 4.357 3.130 952 HZ3 LYS 32 2HZ LYS 32 -10.982 2.942 4.060 953 H ILE 33 H ILE 33 -5.377 0.476 3.996 954 HA ILE 33 HA ILE 33 -6.234 1.722 1.546 955 HB ILE 33 HB ILE 33 -3.434 0.873 2.318 956 HG12 ILE 33 2HG1 ILE 33 -4.793 3.540 2.764 957 HG13 ILE 33 1HG1 ILE 33 -4.493 2.349 4.021 958 HG21 ILE 33 1HG2 ILE 33 -2.777 2.700 0.766 959 HG22 ILE 33 2HG2 ILE 33 -4.473 2.887 0.319 960 HG23 ILE 33 3HG2 ILE 33 -3.628 1.378 -0.033 961 HD11 ILE 33 3HD1 ILE 33 -2.833 4.093 4.105 962 HD12 ILE 33 1HD1 ILE 33 -2.405 3.802 2.419 963 HD13 ILE 33 2HD1 ILE 33 -2.083 2.568 3.636 964 H ALA 34 H ALA 34 -4.746 -1.328 2.497 965 HA ALA 34 HA ALA 34 -4.209 -2.423 -0.001 966 HB1 ALA 34 3HB ALA 34 -3.414 -3.364 2.121 967 HB2 ALA 34 1HB ALA 34 -4.185 -4.583 1.106 968 HB3 ALA 34 2HB ALA 34 -5.051 -3.907 2.486 969 H THR 35 H THR 35 -7.227 -2.215 1.746 970 HA THR 35 HA THR 35 -8.767 -4.096 0.416 971 HB THR 35 HB THR 35 -9.597 -1.380 1.456 972 HG1 THR 35 1HG THR 35 -8.753 -2.662 3.095 973 HG21 THR 35 3HG2 THR 35 -11.292 -3.795 0.799 974 HG22 THR 35 1HG2 THR 35 -11.293 -2.258 -0.064 975 HG23 THR 35 2HG2 THR 35 -11.862 -2.332 1.604 976 H ALA 36 H ALA 36 -7.658 -0.959 -0.683 977 HA ALA 36 HA ALA 36 -9.473 -0.633 -2.832 978 HB1 ALA 36 3HB ALA 36 -8.172 1.218 -1.919 979 HB2 ALA 36 1HB ALA 36 -7.909 1.045 -3.654 980 HB3 ALA 36 2HB ALA 36 -6.689 0.474 -2.514 981 H LEU 37 H LEU 37 -6.210 -2.029 -2.637 982 HA LEU 37 HA LEU 37 -6.115 -2.584 -5.432 983 HG LEU 37 HG LEU 37 -4.842 -3.476 -2.070 984 HB2 LEU 37 2HB LEU 37 -4.047 -3.786 -4.925 985 HB3 LEU 37 1HB LEU 37 -4.063 -2.181 -4.239 986 HD11 LEU 37 1HD1 LEU 37 -3.320 -5.584 -3.595 987 HD12 LEU 37 2HD1 LEU 37 -5.007 -5.670 -3.084 988 HD13 LEU 37 3HD1 LEU 37 -3.720 -5.650 -1.877 989 HD21 LEU 37 3HD2 LEU 37 -2.501 -3.607 -1.381 990 HD22 LEU 37 1HD2 LEU 37 -2.842 -2.109 -2.250 991 HD23 LEU 37 2HD2 LEU 37 -1.998 -3.429 -3.063 992 H LEU 38 H LEU 38 -7.270 -4.238 -2.628 993 HA LEU 38 HA LEU 38 -7.487 -6.832 -3.773 994 HG LEU 38 HG LEU 38 -6.644 -5.858 -0.976 995 HB2 LEU 38 2HB LEU 38 -9.027 -5.528 -1.527 996 HB3 LEU 38 1HB LEU 38 -9.155 -7.222 -1.957 997 HD11 LEU 38 1HD1 LEU 38 -8.302 -6.040 0.779 998 HD12 LEU 38 2HD1 LEU 38 -6.999 -7.196 1.049 999 HD13 LEU 38 3HD1 LEU 38 -8.546 -7.745 0.403 1000 HD21 LEU 38 3HD2 LEU 38 -6.156 -7.704 -2.485 1001 HD22 LEU 38 1HD2 LEU 38 -7.225 -8.760 -1.563 1002 HD23 LEU 38 2HD2 LEU 38 -5.751 -8.135 -0.824 1003 H LYS 39 H LYS 39 -9.479 -3.951 -3.819 1004 HA LYS 39 HA LYS 39 -11.739 -5.215 -5.012 1005 HB2 LYS 39 2HB LYS 39 -10.893 -2.356 -4.652 1006 HB3 LYS 39 1HB LYS 39 -12.286 -2.768 -5.635 1007 HG2 LYS 39 2HG LYS 39 -13.174 -4.001 -3.606 1008 HG3 LYS 39 1HG LYS 39 -11.894 -3.198 -2.693 1009 HD2 LYS 39 2HD LYS 39 -14.032 -1.977 -2.578 1010 HD3 LYS 39 1HD LYS 39 -12.757 -1.025 -3.344 1011 HE2 LYS 39 2HE LYS 39 -13.627 -1.574 -5.541 1012 HE3 LYS 39 1HE LYS 39 -14.856 -2.611 -4.819 1013 HZ1 LYS 39 3HZ LYS 39 -14.641 0.310 -4.321 1014 HZ2 LYS 39 1HZ LYS 39 -15.891 -0.727 -3.820 1015 HZ3 LYS 39 2HZ LYS 39 -15.669 -0.392 -5.470 1016 H THR 40 H THR 40 -9.291 -2.966 -6.335 1017 HA THR 40 HA THR 40 -9.042 -4.517 -8.694 1018 HB THR 40 HB THR 40 -11.154 -3.624 -9.300 1019 HG1 THR 40 1HG THR 40 -10.491 -3.214 -11.262 1020 HG21 THR 40 3HG2 THR 40 -10.021 -0.866 -8.821 1021 HG22 THR 40 1HG2 THR 40 -11.250 -1.669 -7.844 1022 HG23 THR 40 2HG2 THR 40 -11.605 -1.221 -9.512 1023 H ALA 41 H ALA 41 -6.919 -4.353 -8.051 1024 HA ALA 41 HA ALA 41 -5.642 -1.899 -9.076 1025 HB1 ALA 41 3HB ALA 41 -3.602 -2.627 -7.937 1026 HB2 ALA 41 1HB ALA 41 -4.443 -4.054 -7.333 1027 HB3 ALA 41 2HB ALA 41 -4.938 -2.447 -6.798 1028 H ILE 42 H ILE 42 -6.641 -4.880 -9.836 1029 HA ILE 42 HA ILE 42 -4.465 -5.965 -11.297 1030 HB ILE 42 HB ILE 42 -7.427 -6.536 -11.356 1031 HG12 ILE 42 2HG1 ILE 42 -6.353 -7.090 -9.240 1032 HG13 ILE 42 1HG1 ILE 42 -6.797 -8.559 -10.101 1033 HG21 ILE 42 1HG2 ILE 42 -6.852 -8.622 -12.527 1034 HG22 ILE 42 2HG2 ILE 42 -5.193 -8.045 -12.692 1035 HG23 ILE 42 3HG2 ILE 42 -6.510 -7.183 -13.487 1036 HD11 ILE 42 3HD1 ILE 42 -4.598 -8.718 -9.040 1037 HD12 ILE 42 1HD1 ILE 42 -4.033 -7.368 -10.024 1038 HD13 ILE 42 2HD1 ILE 42 -4.503 -8.884 -10.793 1039 H GLU 43 H GLU 43 -4.015 -5.883 -13.427 1040 HA GLU 43 HA GLU 43 -5.355 -3.797 -14.992 1041 HB2 GLU 43 2HB GLU 43 -2.959 -3.508 -14.719 1042 HB3 GLU 43 1HB GLU 43 -2.664 -5.145 -15.283 1043 HG2 GLU 43 2HG GLU 43 -3.787 -4.379 -17.455 1044 HG3 GLU 43 1HG GLU 43 -3.525 -2.745 -16.839 1045 H ILE 44 H ILE 44 -6.338 -4.293 -16.870 1046 HA ILE 44 HA ILE 44 -6.156 -7.074 -17.803 1047 HB ILE 44 HB ILE 44 -8.635 -5.369 -17.692 1048 HG12 ILE 44 2HG1 ILE 44 -7.995 -6.634 -15.630 1049 HG13 ILE 44 1HG1 ILE 44 -9.547 -7.109 -16.307 1050 HG21 ILE 44 1HG2 ILE 44 -8.589 -6.454 -19.837 1051 HG22 ILE 44 2HG2 ILE 44 -9.786 -7.240 -18.807 1052 HG23 ILE 44 3HG2 ILE 44 -8.219 -8.002 -19.078 1053 HD11 ILE 44 3HD1 ILE 44 -6.952 -8.580 -16.636 1054 HD12 ILE 44 1HD1 ILE 44 -8.493 -9.048 -17.356 1055 HD13 ILE 44 2HD1 ILE 44 -8.299 -9.050 -15.598 1056 H VAL 45 H VAL 45 -5.112 -7.059 -19.624 1057 HA VAL 45 HA VAL 45 -5.839 -5.034 -21.622 1058 HB VAL 45 HB VAL 45 -3.872 -5.970 -22.928 1059 HG11 VAL 45 1HG1 VAL 45 -3.752 -3.847 -21.751 1060 HG12 VAL 45 2HG1 VAL 45 -2.216 -4.707 -21.631 1061 HG13 VAL 45 3HG1 VAL 45 -3.323 -4.679 -20.257 1062 HG21 VAL 45 3HG2 VAL 45 -3.275 -7.275 -20.274 1063 HG22 VAL 45 1HG2 VAL 45 -2.130 -7.119 -21.607 1064 HG23 VAL 45 2HG2 VAL 45 -3.588 -8.090 -21.807 1065 H SER 46 H SER 46 -7.545 -5.664 -22.724 1066 HA SER 46 HA SER 46 -8.131 -8.477 -22.976 1067 HG SER 46 HG SER 46 -9.550 -5.931 -21.763 1068 HB2 SER 46 2HB SER 46 -9.728 -6.135 -23.970 1069 HB3 SER 46 1HB SER 46 -10.300 -7.785 -23.776 1070 H GLU 47 H GLU 47 -7.724 -9.670 -24.629 1071 HA GLU 47 HA GLU 47 -7.086 -8.425 -27.217 1072 HB2 GLU 47 2HB GLU 47 -5.385 -9.904 -25.682 1073 HB3 GLU 47 1HB GLU 47 -6.105 -11.158 -26.667 1074 HG2 GLU 47 2HG GLU 47 -4.812 -8.688 -27.779 1075 HG3 GLU 47 1HG GLU 47 -3.985 -10.229 -27.550 1076 H GLU 48 H GLU 48 -7.790 -9.610 -29.085 1077 HA GLU 48 HA GLU 48 -10.380 -10.785 -28.672 1078 HB2 GLU 48 2HB GLU 48 -9.899 -9.273 -30.557 1079 HB3 GLU 48 1HB GLU 48 -8.771 -10.455 -31.204 1080 HG2 GLU 48 2HG GLU 48 -10.578 -12.048 -31.501 1081 HG3 GLU 48 1HG GLU 48 -11.721 -10.890 -30.819 1082 H ASP 49 H ASP 49 -7.176 -11.896 -29.539 1083 HA ASP 49 HA ASP 49 -8.241 -14.616 -29.948 1084 HB2 ASP 49 2HB ASP 49 -6.968 -13.720 -31.846 1085 HB3 ASP 49 1HB ASP 49 -5.583 -13.441 -30.794 1086 H GLY 50 H GLY 50 -5.649 -12.805 -28.386 1087 HA2 GLY 50 2HA GLY 50 -4.705 -15.065 -26.889 1088 HA3 GLY 50 1HA GLY 50 -4.227 -13.389 -26.663 1089 H GLY 51 H GLY 51 -7.397 -13.062 -26.514 1090 HA2 GLY 51 2HA GLY 51 -9.036 -13.224 -24.905 1091 HA3 GLY 51 1HA GLY 51 -7.955 -14.231 -23.952 1092 H ALA 52 H ALA 52 -9.448 -12.347 -22.731 1093 HA ALA 52 HA ALA 52 -8.030 -9.965 -22.178 1094 HB1 ALA 52 3HB ALA 52 -9.907 -11.506 -20.391 1095 HB2 ALA 52 1HB ALA 52 -10.376 -10.258 -21.545 1096 HB3 ALA 52 2HB ALA 52 -9.382 -9.841 -20.148 1097 H HIS 53 H HIS 53 -6.361 -9.545 -20.760 1098 HA HIS 53 HA HIS 53 -5.212 -11.955 -19.498 1099 HD1 HIS 53 1HD HIS 53 -1.774 -12.520 -20.415 1100 HD2 HIS 53 2HD HIS 53 -4.942 -11.616 -22.943 1101 HE1 HIS 53 1HE HIS 53 -1.714 -14.252 -22.227 1102 HE2 HIS 53 2HE HIS 53 -3.772 -13.818 -23.607 1103 HB2 HIS 53 2HB HIS 53 -3.888 -9.684 -20.916 1104 HB3 HIS 53 1HB HIS 53 -3.019 -10.553 -19.647 1105 H ASN 54 H ASN 54 -5.070 -11.978 -17.409 1106 HA ASN 54 HA ASN 54 -5.602 -9.587 -15.846 1107 HB2 ASN 54 2HB ASN 54 -6.703 -11.735 -15.280 1108 HB3 ASN 54 1HB ASN 54 -5.132 -12.481 -15.042 1109 HD21 ASN 54 2HD2 ASN 54 -6.816 -11.382 -11.839 1110 HD22 ASN 54 1HD2 ASN 54 -7.425 -12.164 -13.256 1111 H GLN 55 H GLN 55 -3.893 -8.276 -15.459 1112 HA GLN 55 HA GLN 55 -1.329 -9.573 -14.812 1113 HB2 GLN 55 2HB GLN 55 -1.537 -6.942 -16.264 1114 HB3 GLN 55 1HB GLN 55 -0.094 -7.904 -15.981 1115 HG2 GLN 55 2HG GLN 55 -1.299 -9.695 -17.398 1116 HG3 GLN 55 1HG GLN 55 -2.311 -8.352 -17.930 1117 HE21 GLN 55 2HE2 GLN 55 0.206 -6.800 -19.825 1118 HE22 GLN 55 1HE2 GLN 55 -1.270 -6.551 -18.958 1119 H CYS 56 H CYS 56 -0.236 -8.801 -13.099 1120 HA CYS 56 HA CYS 56 -1.306 -6.430 -11.731 1121 HG CYS 56 HG CYS 56 -0.577 -7.440 -8.145 1122 HB2 CYS 56 2HB CYS 56 -0.945 -8.563 -10.438 1123 HB3 CYS 56 1HB CYS 56 0.775 -8.403 -10.762 1124 H LYS 57 H LYS 57 -0.310 -4.540 -12.149 1125 HA LYS 57 HA LYS 57 2.097 -4.536 -13.707 1126 HB2 LYS 57 2HB LYS 57 1.841 -2.145 -13.854 1127 HB3 LYS 57 1HB LYS 57 0.273 -2.894 -14.102 1128 HG2 LYS 57 2HG LYS 57 1.046 -1.925 -11.386 1129 HG3 LYS 57 1HG LYS 57 0.500 -0.782 -12.609 1130 HD2 LYS 57 2HD LYS 57 -1.050 -3.209 -11.711 1131 HD3 LYS 57 1HD LYS 57 -1.310 -1.572 -11.108 1132 HE2 LYS 57 2HE LYS 57 -1.644 -0.936 -13.578 1133 HE3 LYS 57 1HE LYS 57 -1.810 -2.670 -13.859 1134 HZ1 LYS 57 3HZ LYS 57 -3.598 -2.655 -12.149 1135 HZ2 LYS 57 1HZ LYS 57 -3.975 -1.751 -13.537 1136 HZ3 LYS 57 2HZ LYS 57 -3.496 -0.967 -12.113 1137 H LEU 58 H LEU 58 1.595 -4.945 -10.528 1138 HA LEU 58 HA LEU 58 3.689 -3.274 -9.485 1139 HG LEU 58 HG LEU 58 4.186 -4.220 -6.846 1140 HB2 LEU 58 2HB LEU 58 1.545 -4.222 -8.309 1141 HB3 LEU 58 1HB LEU 58 2.549 -5.634 -8.036 1142 HD11 LEU 58 1HD1 LEU 58 2.121 -2.071 -7.285 1143 HD12 LEU 58 2HD1 LEU 58 3.746 -2.121 -7.969 1144 HD13 LEU 58 3HD1 LEU 58 3.525 -1.935 -6.228 1145 HD21 LEU 58 3HD2 LEU 58 1.367 -3.989 -5.790 1146 HD22 LEU 58 1HD2 LEU 58 2.849 -3.867 -4.841 1147 HD23 LEU 58 2HD2 LEU 58 2.416 -5.395 -5.610 1148 H CYS 59 H CYS 59 3.245 -6.661 -10.354 1149 HA CYS 59 HA CYS 59 6.075 -7.178 -9.804 1150 HG CYS 59 HG CYS 59 3.089 -10.530 -10.881 1151 HB2 CYS 59 2HB CYS 59 5.390 -9.586 -10.206 1152 HB3 CYS 59 1HB CYS 59 4.670 -8.814 -8.795 1153 H GLY 60 H GLY 60 3.643 -7.359 -12.384 1154 HA2 GLY 60 2HA GLY 60 4.169 -6.807 -14.639 1155 HA3 GLY 60 1HA GLY 60 5.836 -7.266 -14.334 1156 H ALA 61 H ALA 61 3.912 -9.563 -12.946 1157 HA ALA 61 HA ALA 61 3.614 -11.191 -15.353 1158 HB1 ALA 61 3HB ALA 61 4.822 -13.081 -14.379 1159 HB2 ALA 61 1HB ALA 61 5.243 -12.098 -12.976 1160 HB3 ALA 61 2HB ALA 61 5.883 -11.684 -14.566 1161 H SER 62 H SER 62 1.877 -12.595 -15.196 1162 HA SER 62 HA SER 62 0.590 -12.960 -12.631 1163 HG SER 62 HG SER 62 0.811 -10.768 -12.512 1164 HB2 SER 62 2HB SER 62 -0.644 -11.217 -14.748 1165 HB3 SER 62 1HB SER 62 -1.485 -11.798 -13.308 1166 H VAL 63 H VAL 63 -2.043 -13.454 -13.677 1167 HA VAL 63 HA VAL 63 -1.401 -16.173 -14.612 1168 HB VAL 63 HB VAL 63 -2.071 -15.999 -12.235 1169 HG11 VAL 63 1HG1 VAL 63 -4.371 -15.422 -11.643 1170 HG12 VAL 63 2HG1 VAL 63 -4.686 -14.966 -13.316 1171 HG13 VAL 63 3HG1 VAL 63 -3.514 -14.058 -12.359 1172 HG21 VAL 63 3HG2 VAL 63 -3.817 -17.715 -12.248 1173 HG22 VAL 63 1HG2 VAL 63 -2.554 -18.060 -13.429 1174 HG23 VAL 63 2HG2 VAL 63 -4.104 -17.408 -13.961 1175 HA PRO 64 HA PRO 64 -4.139 -15.687 -18.113 1176 HB2 PRO 64 1HB PRO 64 -3.790 -17.793 -18.876 1177 HB3 PRO 64 2HB PRO 64 -5.257 -18.247 -18.003 1178 HG2 PRO 64 2HG PRO 64 -4.085 -19.041 -16.177 1179 HG3 PRO 64 1HG PRO 64 -2.871 -19.351 -17.432 1180 HD2 PRO 64 2HD PRO 64 -2.281 -17.897 -15.280 1181 HD3 PRO 64 1HD PRO 64 -1.646 -17.453 -16.880 1182 H TRP 65 H TRP 65 -6.269 -15.371 -18.606 1183 HA TRP 65 HA TRP 65 -7.996 -14.617 -16.504 1184 HD1 TRP 65 HD TRP 65 -11.028 -14.613 -20.067 1185 HE1 TRP 65 1HE TRP 65 -13.041 -13.401 -19.021 1186 HE3 TRP 65 3HE TRP 65 -8.756 -12.742 -15.884 1187 HZ2 TRP 65 2HZ TRP 65 -13.598 -11.863 -16.716 1188 HZ3 TRP 65 3HZ TRP 65 -10.099 -11.412 -14.309 1189 HH2 TRP 65 HH TRP 65 -12.470 -10.980 -14.719 1190 HB2 TRP 65 2HB TRP 65 -7.933 -13.557 -18.743 1191 HB3 TRP 65 1HB TRP 65 -8.601 -15.024 -19.443 1192 H LEU 66 H LEU 66 -10.226 -15.362 -16.242 1193 HA LEU 66 HA LEU 66 -11.907 -16.845 -15.976 1194 HG LEU 66 HG LEU 66 -11.173 -16.786 -18.990 1195 HB2 LEU 66 2HB LEU 66 -10.274 -18.683 -17.721 1196 HB3 LEU 66 1HB LEU 66 -11.878 -19.049 -17.117 1197 HD11 LEU 66 1HD1 LEU 66 -11.047 -18.972 -20.052 1198 HD12 LEU 66 2HD1 LEU 66 -12.450 -18.073 -20.631 1199 HD13 LEU 66 3HD1 LEU 66 -12.658 -19.368 -19.453 1200 HD21 LEU 66 3HD2 LEU 66 -13.582 -16.436 -19.152 1201 HD22 LEU 66 1HD2 LEU 66 -13.026 -16.214 -17.492 1202 HD23 LEU 66 2HD2 LEU 66 -13.856 -17.700 -17.952 1203 H GLN 67 H GLN 67 -8.658 -17.585 -15.192 1204 HA GLN 67 HA GLN 67 -9.480 -19.583 -13.223 1205 HB2 GLN 67 2HB GLN 67 -7.329 -19.750 -14.636 1206 HB3 GLN 67 1HB GLN 67 -6.692 -18.488 -13.590 1207 HG2 GLN 67 2HG GLN 67 -7.197 -19.971 -11.639 1208 HG3 GLN 67 1HG GLN 67 -7.586 -21.246 -12.793 1209 HE21 GLN 67 2HE2 GLN 67 -3.751 -20.322 -11.902 1210 HE22 GLN 67 1HE2 GLN 67 -5.086 -19.384 -11.315 1211 H THR 68 H THR 68 -8.737 -19.271 -10.960 1212 HA THR 68 HA THR 68 -9.524 -16.866 -9.816 1213 HB THR 68 HB THR 68 -9.453 -18.796 -8.424 1214 HG1 THR 68 1HG THR 68 -7.252 -17.365 -7.395 1215 HG21 THR 68 3HG2 THR 68 -7.369 -19.952 -7.813 1216 HG22 THR 68 1HG2 THR 68 -6.475 -18.922 -8.933 1217 HG23 THR 68 2HG2 THR 68 -7.687 -20.048 -9.544 1218 H GLY 69 H GLY 69 -8.649 -14.927 -10.102 1219 HA2 GLY 69 2HA GLY 69 -5.887 -14.619 -10.879 1220 HA3 GLY 69 1HA GLY 69 -7.068 -13.331 -10.673 1221 H ASP 70 H ASP 70 -5.358 -15.746 -8.729 1222 HA ASP 70 HA ASP 70 -4.574 -13.692 -6.829 1223 HB2 ASP 70 2HB ASP 70 -6.878 -14.773 -6.210 1224 HB3 ASP 70 1HB ASP 70 -5.907 -16.169 -5.756 1225 H GLU 71 H GLU 71 -3.359 -15.108 -4.939 1226 HA GLU 71 HA GLU 71 -1.302 -15.931 -4.553 1227 HB2 GLU 71 2HB GLU 71 -2.598 -18.134 -6.138 1228 HB3 GLU 71 1HB GLU 71 -1.056 -18.303 -5.328 1229 HG2 GLU 71 2HG GLU 71 -3.711 -17.752 -4.056 1230 HG3 GLU 71 1HG GLU 71 -2.739 -19.218 -3.920 1231 H ILE 72 H ILE 72 -1.289 -14.149 -6.725 1232 HA ILE 72 HA ILE 72 0.217 -15.155 -8.904 1233 HB ILE 72 HB ILE 72 0.089 -12.312 -7.877 1234 HG12 ILE 72 2HG1 ILE 72 -1.588 -13.686 -9.997 1235 HG13 ILE 72 1HG1 ILE 72 -2.145 -13.231 -8.390 1236 HG21 ILE 72 1HG2 ILE 72 0.721 -11.702 -10.170 1237 HG22 ILE 72 2HG2 ILE 72 0.881 -13.411 -10.574 1238 HG23 ILE 72 3HG2 ILE 72 1.960 -12.680 -9.383 1239 HD11 ILE 72 3HD1 ILE 72 -1.826 -10.888 -8.917 1240 HD12 ILE 72 1HD1 ILE 72 -2.874 -11.656 -10.112 1241 HD13 ILE 72 2HD1 ILE 72 -1.189 -11.316 -10.506 1242 H LYS 73 H LYS 73 2.035 -16.240 -8.356 1243 HA LYS 73 HA LYS 73 3.849 -15.192 -6.369 1244 HB2 LYS 73 2HB LYS 73 3.497 -17.733 -7.768 1245 HB3 LYS 73 1HB LYS 73 5.181 -17.269 -7.587 1246 HG2 LYS 73 2HG LYS 73 4.677 -18.596 -5.724 1247 HG3 LYS 73 1HG LYS 73 4.693 -16.934 -5.133 1248 HD2 LYS 73 2HD LYS 73 2.269 -16.863 -5.192 1249 HD3 LYS 73 1HD LYS 73 2.218 -18.486 -5.885 1250 HE2 LYS 73 2HE LYS 73 3.423 -19.289 -3.830 1251 HE3 LYS 73 1HE LYS 73 3.176 -17.684 -3.144 1252 HZ1 LYS 73 3HZ LYS 73 1.490 -19.252 -2.408 1253 HZ2 LYS 73 1HZ LYS 73 1.022 -19.541 -4.013 1254 HZ3 LYS 73 2HZ LYS 73 0.784 -18.011 -3.319 1255 H HIS 74 H HIS 74 5.804 -14.345 -6.685 1256 HA HIS 74 HA HIS 74 7.200 -14.402 -9.165 1257 HD1 HIS 74 1HD HIS 74 7.867 -9.969 -9.277 1258 HD2 HIS 74 2HD HIS 74 7.546 -13.397 -11.623 1259 HE1 HIS 74 1HE HIS 74 9.328 -9.564 -11.282 1260 HE2 HIS 74 2HE HIS 74 9.059 -11.611 -12.729 1261 HB2 HIS 74 2HB HIS 74 5.466 -12.559 -9.522 1262 HB3 HIS 74 1HB HIS 74 6.304 -11.648 -8.276 1263 H ALA 75 H ALA 75 7.919 -11.540 -7.599 1264 HA ALA 75 HA ALA 75 9.978 -12.804 -5.980 1265 HB1 ALA 75 3HB ALA 75 9.440 -9.889 -6.571 1266 HB2 ALA 75 1HB ALA 75 10.646 -10.904 -7.362 1267 HB3 ALA 75 2HB ALA 75 10.810 -10.509 -5.650 1268 H ASP 76 H ASP 76 9.897 -12.884 -3.780 1269 HA ASP 76 HA ASP 76 7.410 -12.263 -2.483 1270 HB2 ASP 76 2HB ASP 76 10.032 -13.410 -1.544 1271 HB3 ASP 76 1HB ASP 76 8.760 -12.987 -0.410 1272 H ASP 77 H ASP 77 10.050 -10.504 -3.344 1273 HA ASP 77 HA ASP 77 10.128 -8.642 -1.159 1274 HB2 ASP 77 2HB ASP 77 12.067 -8.999 -2.640 1275 HB3 ASP 77 1HB ASP 77 11.140 -8.394 -4.006 1276 H CYS 78 H CYS 78 8.067 -9.227 -3.789 1277 HA CYS 78 HA CYS 78 7.164 -6.599 -4.339 1278 HG CYS 78 HG CYS 78 8.054 -7.689 -6.575 1279 HB2 CYS 78 2HB CYS 78 5.754 -9.251 -4.692 1280 HB3 CYS 78 1HB CYS 78 5.215 -7.720 -5.374 1281 HA PRO 79 HA PRO 79 4.932 -5.594 -0.676 1282 HB2 PRO 79 1HB PRO 79 3.994 -3.548 -1.122 1283 HB3 PRO 79 2HB PRO 79 3.153 -4.136 -2.561 1284 HG2 PRO 79 2HG PRO 79 4.889 -2.923 -3.535 1285 HG3 PRO 79 1HG PRO 79 6.025 -3.344 -2.238 1286 HD2 PRO 79 2HD PRO 79 5.089 -5.001 -4.549 1287 HD3 PRO 79 1HD PRO 79 6.712 -4.869 -3.838 1288 H VAL 80 H VAL 80 3.414 -7.104 -3.400 1289 HA VAL 80 HA VAL 80 0.791 -7.424 -2.522 1290 HB VAL 80 HB VAL 80 2.441 -9.456 -4.040 1291 HG11 VAL 80 1HG1 VAL 80 -0.547 -9.050 -3.911 1292 HG12 VAL 80 2HG1 VAL 80 0.354 -10.386 -3.194 1293 HG13 VAL 80 3HG1 VAL 80 0.291 -10.206 -4.947 1294 HG21 VAL 80 3HG2 VAL 80 1.525 -8.405 -6.067 1295 HG22 VAL 80 1HG2 VAL 80 2.532 -7.290 -5.142 1296 HG23 VAL 80 2HG2 VAL 80 0.775 -7.159 -5.070 1297 H VAL 81 H VAL 81 3.673 -9.359 -1.825 1298 HA VAL 81 HA VAL 81 2.321 -11.354 -0.314 1299 HB VAL 81 HB VAL 81 5.244 -10.587 -0.214 1300 HG11 VAL 81 1HG1 VAL 81 4.573 -11.965 1.670 1301 HG12 VAL 81 2HG1 VAL 81 5.585 -12.889 0.559 1302 HG13 VAL 81 3HG1 VAL 81 3.838 -13.137 0.574 1303 HG21 VAL 81 3HG2 VAL 81 5.596 -12.356 -1.865 1304 HG22 VAL 81 1HG2 VAL 81 4.523 -11.106 -2.495 1305 HG23 VAL 81 2HG2 VAL 81 3.857 -12.640 -1.939 1306 H ILE 82 H ILE 82 4.063 -8.402 0.518 1307 HA ILE 82 HA ILE 82 4.003 -8.786 3.322 1308 HB ILE 82 HB ILE 82 4.232 -6.173 1.818 1309 HG12 ILE 82 2HG1 ILE 82 5.940 -7.750 1.082 1310 HG13 ILE 82 1HG1 ILE 82 6.671 -6.493 2.077 1311 HG21 ILE 82 1HG2 ILE 82 3.706 -5.880 4.183 1312 HG22 ILE 82 2HG2 ILE 82 5.355 -5.365 3.833 1313 HG23 ILE 82 3HG2 ILE 82 5.066 -6.917 4.619 1314 HD11 ILE 82 3HD1 ILE 82 5.955 -9.264 3.007 1315 HD12 ILE 82 1HD1 ILE 82 6.726 -8.009 3.974 1316 HD13 ILE 82 2HD1 ILE 82 7.575 -8.699 2.591 1317 H ALA 83 H ALA 83 1.947 -6.897 1.122 1318 HA ALA 83 HA ALA 83 0.219 -5.822 3.042 1319 HB1 ALA 83 3HB ALA 83 -0.419 -6.588 0.194 1320 HB2 ALA 83 1HB ALA 83 0.279 -5.055 0.718 1321 HB3 ALA 83 2HB ALA 83 -1.358 -5.494 1.209 1322 H LYS 84 H LYS 84 0.068 -8.856 1.231 1323 HA LYS 84 HA LYS 84 -2.374 -9.788 2.223 1324 HB2 LYS 84 2HB LYS 84 -0.006 -11.062 0.992 1325 HB3 LYS 84 1HB LYS 84 -1.065 -12.118 1.914 1326 HG2 LYS 84 2HG LYS 84 -2.961 -11.084 0.510 1327 HG3 LYS 84 1HG LYS 84 -1.663 -10.544 -0.560 1328 HD2 LYS 84 2HD LYS 84 -0.936 -12.794 -0.922 1329 HD3 LYS 84 1HD LYS 84 -2.029 -13.403 0.322 1330 HE2 LYS 84 2HE LYS 84 -3.936 -12.571 -1.068 1331 HE3 LYS 84 1HE LYS 84 -2.769 -12.203 -2.341 1332 HZ1 LYS 84 3HZ LYS 84 -3.295 -14.884 -1.173 1333 HZ2 LYS 84 1HZ LYS 84 -2.127 -14.547 -2.356 1334 HZ3 LYS 84 2HZ LYS 84 -3.778 -14.357 -2.710 1335 H GLN 85 H GLN 85 0.913 -10.303 3.521 1336 HA GLN 85 HA GLN 85 0.248 -11.946 5.655 1337 HB2 GLN 85 2HB GLN 85 2.402 -9.850 5.377 1338 HB3 GLN 85 1HB GLN 85 2.288 -10.927 6.751 1339 HG2 GLN 85 2HG GLN 85 2.493 -12.851 5.199 1340 HG3 GLN 85 1HG GLN 85 2.769 -11.698 3.891 1341 HE21 GLN 85 2HE2 GLN 85 6.078 -10.985 4.786 1342 HE22 GLN 85 1HE2 GLN 85 4.696 -10.524 3.851 1343 H ILE 86 H ILE 86 0.066 -8.466 5.316 1344 HA ILE 86 HA ILE 86 -0.576 -7.974 8.055 1345 HB ILE 86 HB ILE 86 -0.927 -6.206 5.633 1346 HG12 ILE 86 2HG1 ILE 86 1.251 -6.281 7.735 1347 HG13 ILE 86 1HG1 ILE 86 1.408 -6.884 6.090 1348 HG21 ILE 86 1HG2 ILE 86 -2.387 -5.485 7.426 1349 HG22 ILE 86 2HG2 ILE 86 -1.039 -4.360 7.261 1350 HG23 ILE 86 3HG2 ILE 86 -1.048 -5.540 8.572 1351 HD11 ILE 86 3HD1 ILE 86 0.865 -4.021 6.840 1352 HD12 ILE 86 1HD1 ILE 86 1.123 -4.651 5.215 1353 HD13 ILE 86 2HD1 ILE 86 2.438 -4.683 6.392 1354 H LEU 87 H LEU 87 -2.557 -7.926 5.068 1355 HA LEU 87 HA LEU 87 -4.910 -7.278 6.554 1356 HG LEU 87 HG LEU 87 -3.473 -8.556 3.387 1357 HB2 LEU 87 2HB LEU 87 -6.111 -7.573 4.420 1358 HB3 LEU 87 1HB LEU 87 -4.751 -6.478 4.311 1359 HD11 LEU 87 1HD1 LEU 87 -5.208 -10.203 3.879 1360 HD12 LEU 87 2HD1 LEU 87 -4.877 -10.113 2.150 1361 HD13 LEU 87 3HD1 LEU 87 -6.324 -9.351 2.812 1362 HD21 LEU 87 3HD2 LEU 87 -4.196 -7.984 1.121 1363 HD22 LEU 87 1HD2 LEU 87 -3.947 -6.549 2.115 1364 HD23 LEU 87 2HD2 LEU 87 -5.583 -7.119 1.789 1365 H SER 88 H SER 88 -3.354 -10.245 5.923 1366 HA SER 88 HA SER 88 -5.815 -11.786 6.109 1367 HG SER 88 HG SER 88 -5.606 -13.809 5.274 1368 HB2 SER 88 2HB SER 88 -3.782 -12.403 4.648 1369 HB3 SER 88 1HB SER 88 -3.042 -12.960 6.148 1370 H SER 89 H SER 89 -3.356 -10.581 8.178 1371 HA SER 89 HA SER 89 -3.971 -12.463 10.309 1372 HG SER 89 HG SER 89 -1.014 -11.412 9.080 1373 HB2 SER 89 2HB SER 89 -2.115 -10.069 10.306 1374 HB3 SER 89 1HB SER 89 -2.231 -11.292 11.572 1375 H ARG 90 H ARG 90 -5.411 -9.825 9.060 1376 HA ARG 90 HA ARG 90 -6.673 -9.181 11.634 1377 HE ARG 90 HE ARG 90 -7.326 -5.050 13.520 1378 HB2 ARG 90 2HB ARG 90 -5.439 -7.385 9.680 1379 HB3 ARG 90 1HB ARG 90 -7.090 -6.938 10.082 1380 HG2 ARG 90 2HG ARG 90 -4.805 -7.289 12.008 1381 HG3 ARG 90 1HG ARG 90 -5.547 -5.767 11.510 1382 HD2 ARG 90 2HD ARG 90 -7.732 -7.030 12.396 1383 HD3 ARG 90 1HD ARG 90 -6.524 -7.840 13.395 1384 HH11 ARG 90 1HH1 ARG 90 -5.075 -7.515 14.580 1385 HH12 ARG 90 2HH1 ARG 90 -4.482 -6.569 15.912 1386 HH21 ARG 90 2HH2 ARG 90 -5.368 -4.514 16.347 1387 HH22 ARG 90 1HH2 ARG 90 -6.576 -3.825 15.279 1388 HA PRO 91 HA PRO 91 -10.043 -10.573 8.924 1389 HB2 PRO 91 1HB PRO 91 -10.106 -12.496 10.211 1390 HB3 PRO 91 2HB PRO 91 -11.535 -11.681 10.856 1391 HG2 PRO 91 2HG PRO 91 -10.417 -10.939 12.747 1392 HG3 PRO 91 1HG PRO 91 -9.558 -12.465 12.467 1393 HD2 PRO 91 2HD PRO 91 -8.333 -10.007 12.592 1394 HD3 PRO 91 1HD PRO 91 -7.675 -11.405 11.720 1395 H LYS 92 H LYS 92 -12.559 -10.343 9.418 1396 HA LYS 92 HA LYS 92 -12.973 -7.579 10.279 1397 HB2 LYS 92 2HB LYS 92 -13.910 -8.263 8.105 1398 HB3 LYS 92 1HB LYS 92 -14.860 -9.508 8.905 1399 HG2 LYS 92 2HG LYS 92 -16.120 -7.818 10.101 1400 HG3 LYS 92 1HG LYS 92 -15.134 -6.545 9.375 1401 HD2 LYS 92 2HD LYS 92 -15.964 -7.085 7.183 1402 HD3 LYS 92 1HD LYS 92 -16.819 -8.496 7.808 1403 HE2 LYS 92 2HE LYS 92 -17.391 -5.639 8.593 1404 HE3 LYS 92 1HE LYS 92 -18.306 -6.562 7.401 1405 HZ1 LYS 92 3HZ LYS 92 -18.858 -8.162 9.133 1406 HZ2 LYS 92 1HZ LYS 92 -19.402 -6.609 9.544 1407 HZ3 LYS 92 2HZ LYS 92 -18.012 -7.245 10.274 1408 H LEU 93 H LEU 93 -12.950 -7.644 12.470 1409 HA LEU 93 HA LEU 93 -14.263 -9.685 13.988 1410 HG LEU 93 HG LEU 93 -12.005 -9.854 15.052 1411 HB2 LEU 93 2HB LEU 93 -13.051 -7.040 14.805 1412 HB3 LEU 93 1HB LEU 93 -13.734 -8.184 15.939 1413 HD11 LEU 93 1HD1 LEU 93 -11.379 -8.632 13.033 1414 HD12 LEU 93 2HD1 LEU 93 -9.989 -8.890 14.086 1415 HD13 LEU 93 3HD1 LEU 93 -10.765 -7.307 14.019 1416 HD21 LEU 93 3HD2 LEU 93 -10.286 -8.986 16.537 1417 HD22 LEU 93 1HD2 LEU 93 -11.888 -8.791 17.247 1418 HD23 LEU 93 2HD2 LEU 93 -11.065 -7.404 16.536 1419 H HIS 94 H HIS 94 -16.082 -9.457 15.320 1420 HA HIS 94 HA HIS 94 -18.002 -7.470 14.431 1421 HD1 HIS 94 1HD HIS 94 -20.721 -7.901 14.140 1422 HD2 HIS 94 2HD HIS 94 -18.731 -11.545 13.845 1423 HE1 HIS 94 1HE HIS 94 -21.755 -9.083 12.170 1424 HE2 HIS 94 2HE HIS 94 -20.463 -11.238 11.943 1425 HB2 HIS 94 2HB HIS 94 -18.159 -9.982 16.005 1426 HB3 HIS 94 1HB HIS 94 -19.369 -8.745 16.337 1427 H ALA 95 H ALA 95 -17.126 -5.610 15.183 1428 HA ALA 95 HA ALA 95 -17.656 -5.033 17.986 1429 HB1 ALA 95 3HB ALA 95 -14.980 -4.467 16.692 1430 HB2 ALA 95 1HB ALA 95 -15.282 -5.660 17.956 1431 HB3 ALA 95 2HB ALA 95 -15.478 -3.941 18.300 1432 H VAL 96 H VAL 96 -19.049 -4.409 15.676 1433 HA VAL 96 HA VAL 96 -20.135 -2.674 14.696 1434 HB VAL 96 HB VAL 96 -18.253 -0.846 16.203 1435 HG11 VAL 96 1HG1 VAL 96 -20.778 -0.248 14.661 1436 HG12 VAL 96 2HG1 VAL 96 -19.144 0.251 14.222 1437 HG13 VAL 96 3HG1 VAL 96 -19.911 0.904 15.671 1438 HG21 VAL 96 3HG2 VAL 96 -19.682 -2.156 17.693 1439 HG22 VAL 96 1HG2 VAL 96 -21.103 -1.662 16.772 1440 HG23 VAL 96 2HG2 VAL 96 -20.182 -0.463 17.679 Start of MODEL 5 1 HA MET 1 HA MET 1 4.402 24.450 0.492 2 H1 MET 1 1H MET 1 3.223 22.356 0.435 3 H2 MET 1 2H MET 1 2.456 23.456 1.472 4 H3 MET 1 3H MET 1 3.390 22.195 2.115 5 HB2 MET 1 2HB MET 1 4.786 23.792 3.423 6 HB3 MET 1 1HB MET 1 5.549 25.124 2.565 7 HG2 MET 1 2HG MET 1 2.581 24.799 2.941 8 HG3 MET 1 1HG MET 1 3.625 25.805 3.945 9 HE1 MET 1 3HE MET 1 1.537 28.371 1.812 10 HE2 MET 1 1HE MET 1 1.900 27.781 3.433 11 HE3 MET 1 2HE MET 1 0.967 26.782 2.321 12 H GLY 2 H GLY 2 5.475 22.992 -0.930 13 HA2 GLY 2 2HA GLY 2 7.439 21.981 -1.609 14 HA3 GLY 2 1HA GLY 2 8.049 22.147 0.032 15 H SER 3 H SER 3 5.071 20.547 -0.956 16 HA SER 3 HA SER 3 6.056 18.140 0.394 17 HG SER 3 HG SER 3 2.690 17.020 0.418 18 HB2 SER 3 2HB SER 3 3.950 19.141 1.228 19 HB3 SER 3 1HB SER 3 3.221 18.895 -0.358 20 H SER 4 H SER 4 7.146 16.986 -1.104 21 HA SER 4 HA SER 4 5.653 16.216 -3.521 22 HG SER 4 HG SER 4 8.553 16.063 -5.497 23 HB2 SER 4 2HB SER 4 7.727 17.484 -4.015 24 HB3 SER 4 1HB SER 4 8.662 16.284 -3.128 25 H HIS 5 H HIS 5 8.574 14.722 -2.294 26 HA HIS 5 HA HIS 5 7.542 12.760 -0.629 27 HD1 HIS 5 1HD HIS 5 6.927 9.189 -3.617 28 HD2 HIS 5 2HD HIS 5 7.954 10.540 0.184 29 HE1 HIS 5 1HE HIS 5 7.125 7.123 -2.188 30 HE2 HIS 5 2HE HIS 5 7.568 7.989 0.137 31 HB2 HIS 5 2HB HIS 5 6.373 11.974 -2.708 32 HB3 HIS 5 1HB HIS 5 7.949 11.709 -3.444 33 H HIS 6 H HIS 6 9.286 12.361 0.546 34 HA HIS 6 HA HIS 6 11.937 12.724 -0.529 35 HD1 HIS 6 1HD HIS 6 12.971 11.322 3.796 36 HD2 HIS 6 2HD HIS 6 14.200 13.289 0.342 37 HE1 HIS 6 1HE HIS 6 15.474 11.474 3.953 38 HE2 HIS 6 2HE HIS 6 16.167 12.861 1.969 39 HB2 HIS 6 2HB HIS 6 11.288 13.379 1.786 40 HB3 HIS 6 1HB HIS 6 11.094 11.676 2.182 41 H HIS 7 H HIS 7 13.202 11.222 -1.389 42 HA HIS 7 HA HIS 7 12.237 8.501 -1.585 43 HD1 HIS 7 1HD HIS 7 16.083 9.022 -4.535 44 HD2 HIS 7 2HD HIS 7 15.087 11.384 -1.258 45 HE1 HIS 7 1HE HIS 7 18.037 10.563 -4.182 46 HE2 HIS 7 2HE HIS 7 17.352 12.082 -2.293 47 HB2 HIS 7 2HB HIS 7 14.051 8.150 -3.172 48 HB3 HIS 7 1HB HIS 7 13.172 9.618 -3.564 49 H HIS 8 H HIS 8 13.584 6.627 -1.161 50 HA HIS 8 HA HIS 8 15.782 7.019 0.715 51 HD1 HIS 8 1HD HIS 8 16.209 7.423 2.853 52 HD2 HIS 8 2HD HIS 8 12.123 6.907 3.439 53 HE1 HIS 8 1HE HIS 8 15.610 8.897 4.798 54 HE2 HIS 8 2HE HIS 8 13.200 8.365 5.284 55 HB2 HIS 8 2HB HIS 8 13.225 5.617 1.346 56 HB3 HIS 8 1HB HIS 8 14.721 4.955 1.992 57 H HIS 9 H HIS 9 13.855 4.238 -0.371 58 HA HIS 9 HA HIS 9 14.374 2.336 -1.500 59 HD1 HIS 9 1HD HIS 9 16.724 5.286 -4.077 60 HD2 HIS 9 2HD HIS 9 13.707 2.417 -4.030 61 HE1 HIS 9 1HE HIS 9 15.229 5.839 -6.024 62 HE2 HIS 9 2HE HIS 9 13.551 3.960 -6.113 63 HB2 HIS 9 2HB HIS 9 16.957 3.756 -2.172 64 HB3 HIS 9 1HB HIS 9 16.571 2.132 -2.722 65 H HIS 10 H HIS 10 14.356 0.961 0.188 66 HA HIS 10 HA HIS 10 16.999 0.232 1.265 67 HD1 HIS 10 1HD HIS 10 16.862 0.246 5.132 68 HD2 HIS 10 2HD HIS 10 15.735 3.178 2.398 69 HE1 HIS 10 1HE HIS 10 17.769 2.411 6.037 70 HE2 HIS 10 2HE HIS 10 16.915 4.189 4.469 71 HB2 HIS 10 2HB HIS 10 14.353 0.419 2.685 72 HB3 HIS 10 1HB HIS 10 15.582 -0.706 3.248 73 H SER 11 H SER 11 17.123 -2.097 1.881 74 HA SER 11 HA SER 11 15.989 -3.673 -0.261 75 HG SER 11 HG SER 11 18.352 -3.002 -0.081 76 HB2 SER 11 2HB SER 11 17.876 -4.393 1.991 77 HB3 SER 11 1HB SER 11 17.403 -5.494 0.696 78 H SER 12 H SER 12 14.297 -2.618 1.985 79 HA SER 12 HA SER 12 13.352 -4.751 3.555 80 HG SER 12 HG SER 12 12.741 -2.058 5.039 81 HB2 SER 12 2HB SER 12 11.822 -2.334 2.565 82 HB3 SER 12 1HB SER 12 11.449 -3.310 3.988 83 H GLY 13 H GLY 13 12.144 -6.457 3.031 84 HA2 GLY 13 2HA GLY 13 10.075 -6.466 1.121 85 HA3 GLY 13 1HA GLY 13 11.528 -7.138 0.394 86 H ARG 14 H ARG 14 10.223 -7.360 3.672 87 HA ARG 14 HA ARG 14 9.608 -10.165 3.418 88 HE ARG 14 HE ARG 14 14.270 -11.066 4.750 89 HB2 ARG 14 2HB ARG 14 12.097 -10.147 3.699 90 HB3 ARG 14 1HB ARG 14 11.885 -9.312 5.231 91 HG2 ARG 14 2HG ARG 14 10.585 -11.263 6.051 92 HG3 ARG 14 1HG ARG 14 10.966 -12.096 4.543 93 HD2 ARG 14 2HD ARG 14 12.928 -11.123 6.620 94 HD3 ARG 14 1HD ARG 14 12.510 -12.799 6.266 95 HH11 ARG 14 1HH1 ARG 14 12.420 -14.048 4.805 96 HH12 ARG 14 2HH1 ARG 14 13.338 -14.784 3.518 97 HH21 ARG 14 2HH2 ARG 14 15.035 -13.609 2.492 98 HH22 ARG 14 1HH2 ARG 14 15.443 -12.007 3.043 99 H GLU 15 H GLU 15 8.623 -10.982 5.461 100 HA GLU 15 HA GLU 15 7.261 -8.944 6.924 101 HB2 GLU 15 2HB GLU 15 6.461 -10.859 8.351 102 HB3 GLU 15 1HB GLU 15 6.098 -11.003 6.639 103 HG2 GLU 15 2HG GLU 15 8.129 -12.474 6.446 104 HG3 GLU 15 1HG GLU 15 8.194 -12.474 8.210 105 H ASN 16 H ASN 16 9.046 -7.713 7.566 106 HA ASN 16 HA ASN 16 11.165 -8.762 9.150 107 HB2 ASN 16 2HB ASN 16 10.308 -5.945 8.475 108 HB3 ASN 16 1HB ASN 16 11.733 -6.307 9.445 109 HD21 ASN 16 2HD2 ASN 16 12.372 -5.973 5.696 110 HD22 ASN 16 1HD2 ASN 16 11.311 -5.075 6.726 111 H LEU 17 H LEU 17 8.825 -6.221 10.002 112 HA LEU 17 HA LEU 17 8.675 -7.328 12.703 113 HG LEU 17 HG LEU 17 11.308 -5.999 12.087 114 HB2 LEU 17 2HB LEU 17 9.332 -4.460 12.018 115 HB3 LEU 17 1HB LEU 17 8.902 -5.017 13.624 116 HD11 LEU 17 1HD1 LEU 17 11.556 -3.639 12.580 117 HD12 LEU 17 2HD1 LEU 17 12.621 -4.597 13.610 118 HD13 LEU 17 3HD1 LEU 17 11.126 -3.926 14.266 119 HD21 LEU 17 3HD2 LEU 17 10.445 -6.334 14.958 120 HD22 LEU 17 1HD2 LEU 17 12.003 -6.838 14.299 121 HD23 LEU 17 2HD2 LEU 17 10.518 -7.592 13.723 122 H TYR 18 H TYR 18 6.690 -7.249 13.545 123 HA TYR 18 HA TYR 18 4.582 -6.112 11.871 124 HD1 TYR 18 2HD TYR 18 3.116 -7.424 10.674 125 HD2 TYR 18 1HD TYR 18 1.938 -8.233 14.682 126 HE1 TYR 18 2HE TYR 18 0.765 -7.491 9.962 127 HE2 TYR 18 1HE TYR 18 -0.421 -8.298 13.981 128 HH TYR 18 HH TYR 18 -1.344 -8.245 10.618 129 HB2 TYR 18 2HB TYR 18 4.665 -8.579 12.652 130 HB3 TYR 18 1HB TYR 18 4.183 -7.958 14.226 131 H PHE 19 H PHE 19 2.545 -5.623 13.525 132 HA PHE 19 HA PHE 19 3.072 -3.155 14.676 133 HD1 PHE 19 2HD PHE 19 0.850 -5.580 12.773 134 HD2 PHE 19 1HD PHE 19 0.135 -1.698 14.351 135 HE1 PHE 19 2HE PHE 19 -0.159 -4.903 10.636 136 HE2 PHE 19 1HE PHE 19 -0.876 -1.013 12.216 137 HZ PHE 19 HZ PHE 19 -1.023 -2.618 10.353 138 HB2 PHE 19 2HB PHE 19 0.817 -5.088 15.252 139 HB3 PHE 19 1HB PHE 19 0.845 -3.409 15.776 140 H GLN 20 H GLN 20 2.948 -2.469 16.884 141 HA GLN 20 HA GLN 20 3.293 -2.509 19.124 142 HB2 GLN 20 2HB GLN 20 2.059 -4.731 19.076 143 HB3 GLN 20 1HB GLN 20 3.632 -5.507 19.015 144 HG2 GLN 20 2HG GLN 20 2.954 -3.582 21.204 145 HG3 GLN 20 1HG GLN 20 2.431 -5.261 21.277 146 HE21 GLN 20 2HE2 GLN 20 5.775 -4.634 22.934 147 HE22 GLN 20 1HE2 GLN 20 4.278 -3.769 22.979 148 H GLY 21 H GLY 21 5.411 -4.441 17.068 149 HA2 GLY 21 2HA GLY 21 7.688 -3.177 18.443 150 HA3 GLY 21 1HA GLY 21 7.688 -4.919 18.209 151 H MET 22 H MET 22 6.676 -2.305 16.020 152 HA MET 22 HA MET 22 8.251 -3.531 13.916 153 HB2 MET 22 2HB MET 22 7.174 -1.905 12.428 154 HB3 MET 22 1HB MET 22 6.012 -2.829 13.358 155 HG2 MET 22 2HG MET 22 5.543 -0.998 14.770 156 HG3 MET 22 1HG MET 22 6.910 -0.076 14.143 157 HE1 MET 22 3HE MET 22 3.264 -1.129 11.512 158 HE2 MET 22 1HE MET 22 3.523 -1.809 13.119 159 HE3 MET 22 2HE MET 22 4.608 -2.237 11.795 160 H THR 23 H THR 23 8.447 -0.839 16.022 161 HA THR 23 HA THR 23 9.873 0.866 16.323 162 HB THR 23 HB THR 23 12.299 0.335 15.997 163 HG1 THR 23 1HG THR 23 11.157 -1.850 14.671 164 HG21 THR 23 3HG2 THR 23 12.331 -1.433 17.703 165 HG22 THR 23 1HG2 THR 23 10.613 -1.713 17.435 166 HG23 THR 23 2HG2 THR 23 11.163 -0.168 18.088 167 H ASP 24 H ASP 24 11.840 -0.159 13.581 168 HA ASP 24 HA ASP 24 11.360 2.533 12.467 169 HB2 ASP 24 2HB ASP 24 13.935 0.953 12.579 170 HB3 ASP 24 1HB ASP 24 13.737 2.459 11.694 171 H THR 25 H THR 25 12.813 -0.565 11.464 172 HA THR 25 HA THR 25 12.993 0.009 8.777 173 HB THR 25 HB THR 25 12.568 -2.774 9.845 174 HG1 THR 25 1HG THR 25 15.155 -1.780 9.706 175 HG21 THR 25 3HG2 THR 25 14.274 -1.679 7.604 176 HG22 THR 25 1HG2 THR 25 12.762 -2.564 7.410 177 HG23 THR 25 2HG2 THR 25 14.176 -3.372 8.089 178 H ALA 26 H ALA 26 10.211 -1.278 10.504 179 HA ALA 26 HA ALA 26 8.794 -2.357 8.345 180 HB1 ALA 26 3HB ALA 26 8.232 -2.732 10.708 181 HB2 ALA 26 1HB ALA 26 6.836 -2.240 9.747 182 HB3 ALA 26 2HB ALA 26 7.633 -1.074 10.804 183 H ALA 27 H ALA 27 9.269 0.940 9.315 184 HA ALA 27 HA ALA 27 7.057 2.124 8.028 185 HB1 ALA 27 3HB ALA 27 9.780 3.306 8.548 186 HB2 ALA 27 1HB ALA 27 8.428 3.299 9.681 187 HB3 ALA 27 2HB ALA 27 8.310 4.204 8.171 188 H GLU 28 H GLU 28 10.061 0.877 6.835 189 HA GLU 28 HA GLU 28 9.876 2.282 4.308 190 HB2 GLU 28 2HB GLU 28 12.016 1.501 5.636 191 HB3 GLU 28 1HB GLU 28 11.739 -0.011 4.782 192 HG2 GLU 28 2HG GLU 28 13.330 1.390 3.597 193 HG3 GLU 28 1HG GLU 28 11.859 1.161 2.650 194 H ASP 29 H ASP 29 9.386 -0.988 5.571 195 HA ASP 29 HA ASP 29 8.782 -2.266 3.130 196 HB2 ASP 29 2HB ASP 29 7.853 -2.850 5.954 197 HB3 ASP 29 1HB ASP 29 7.505 -3.896 4.584 198 H VAL 30 H VAL 30 6.697 -0.644 5.519 199 HA VAL 30 HA VAL 30 4.301 -1.078 4.046 200 HB VAL 30 HB VAL 30 4.427 -0.562 6.507 201 HG11 VAL 30 1HG1 VAL 30 4.421 1.781 7.206 202 HG12 VAL 30 2HG1 VAL 30 4.762 2.270 5.545 203 HG13 VAL 30 3HG1 VAL 30 5.946 1.324 6.446 204 HG21 VAL 30 3HG2 VAL 30 2.308 -0.567 5.330 205 HG22 VAL 30 1HG2 VAL 30 2.552 1.111 4.843 206 HG23 VAL 30 2HG2 VAL 30 2.330 0.708 6.546 207 H ARG 31 H ARG 31 6.744 1.409 4.038 208 HA ARG 31 HA ARG 31 5.345 3.354 2.552 209 HE ARG 31 HE ARG 31 10.383 4.543 3.063 210 HB2 ARG 31 2HB ARG 31 7.686 3.484 3.726 211 HB3 ARG 31 1HB ARG 31 8.291 2.929 2.170 212 HG2 ARG 31 2HG ARG 31 6.974 4.870 1.165 213 HG3 ARG 31 1HG ARG 31 6.851 5.477 2.814 214 HD2 ARG 31 2HD ARG 31 9.307 5.082 1.135 215 HD3 ARG 31 1HD ARG 31 8.720 6.561 1.886 216 HH11 ARG 31 1HH1 ARG 31 8.037 7.057 3.793 217 HH12 ARG 31 2HH1 ARG 31 8.605 7.298 5.410 218 HH21 ARG 31 2HH2 ARG 31 10.410 6.067 6.186 219 HH22 ARG 31 1HH2 ARG 31 11.164 4.880 5.158 220 H LYS 32 H LYS 32 7.177 0.507 1.629 221 HA LYS 32 HA LYS 32 7.333 1.025 -1.126 222 HB2 LYS 32 2HB LYS 32 7.629 -1.402 0.575 223 HB3 LYS 32 1HB LYS 32 7.493 -1.612 -1.163 224 HG2 LYS 32 2HG LYS 32 9.383 0.038 -1.392 225 HG3 LYS 32 1HG LYS 32 9.590 -0.090 0.355 226 HD2 LYS 32 2HD LYS 32 10.046 -2.451 0.174 227 HD3 LYS 32 1HD LYS 32 9.677 -2.428 -1.551 228 HE2 LYS 32 2HE LYS 32 11.569 -0.894 -1.912 229 HE3 LYS 32 1HE LYS 32 11.950 -0.984 -0.192 230 HZ1 LYS 32 3HZ LYS 32 11.969 -3.273 -2.087 231 HZ2 LYS 32 1HZ LYS 32 12.343 -3.351 -0.439 232 HZ3 LYS 32 2HZ LYS 32 13.336 -2.471 -1.496 233 H ILE 33 H ILE 33 4.955 -0.933 0.703 234 HA ILE 33 HA ILE 33 3.497 -1.682 -1.604 235 HB ILE 33 HB ILE 33 1.634 -2.252 -0.061 236 HG12 ILE 33 2HG1 ILE 33 3.506 -1.254 2.097 237 HG13 ILE 33 1HG1 ILE 33 2.016 -0.462 1.594 238 HG21 ILE 33 1HG2 ILE 33 3.367 -3.873 -0.565 239 HG22 ILE 33 2HG2 ILE 33 2.816 -4.053 1.101 240 HG23 ILE 33 3HG2 ILE 33 4.353 -3.256 0.762 241 HD11 ILE 33 3HD1 ILE 33 1.690 -1.712 3.644 242 HD12 ILE 33 1HD1 ILE 33 2.233 -3.188 2.847 243 HD13 ILE 33 2HD1 ILE 33 0.738 -2.408 2.332 244 H ALA 34 H ALA 34 3.316 1.111 0.504 245 HA ALA 34 HA ALA 34 0.832 2.084 -0.534 246 HB1 ALA 34 3HB ALA 34 1.299 4.090 0.738 247 HB2 ALA 34 1HB ALA 34 2.968 3.574 0.983 248 HB3 ALA 34 2HB ALA 34 1.646 2.662 1.714 249 H THR 35 H THR 35 4.235 2.647 -1.252 250 HA THR 35 HA THR 35 3.715 4.825 -3.046 251 HB THR 35 HB THR 35 6.240 3.167 -2.779 252 HG1 THR 35 1HG THR 35 5.781 4.167 -0.815 253 HG21 THR 35 3HG2 THR 35 6.150 4.460 -4.861 254 HG22 THR 35 1HG2 THR 35 7.353 5.124 -3.754 255 HG23 THR 35 2HG2 THR 35 5.791 5.921 -3.942 256 H ALA 36 H ALA 36 3.995 1.356 -3.308 257 HA ALA 36 HA ALA 36 4.653 1.004 -5.964 258 HB1 ALA 36 3HB ALA 36 3.598 -1.172 -5.816 259 HB2 ALA 36 1HB ALA 36 2.711 -0.667 -4.376 260 HB3 ALA 36 2HB ALA 36 4.468 -0.809 -4.325 261 H LEU 37 H LEU 37 1.418 1.579 -4.604 262 HA LEU 37 HA LEU 37 0.083 1.230 -7.078 263 HG LEU 37 HG LEU 37 0.131 2.776 -3.753 264 HB2 LEU 37 2HB LEU 37 -1.857 2.245 -5.906 265 HB3 LEU 37 1HB LEU 37 -1.155 0.873 -5.084 266 HD11 LEU 37 1HD1 LEU 37 -1.303 4.713 -3.371 267 HD12 LEU 37 2HD1 LEU 37 -2.424 4.137 -4.604 268 HD13 LEU 37 3HD1 LEU 37 -0.791 4.625 -5.057 269 HD21 LEU 37 3HD2 LEU 37 -2.729 1.950 -3.268 270 HD22 LEU 37 1HD2 LEU 37 -1.656 2.666 -2.065 271 HD23 LEU 37 2HD2 LEU 37 -1.279 1.085 -2.750 272 H LEU 38 H LEU 38 1.488 4.008 -5.476 273 HA LEU 38 HA LEU 38 0.349 5.910 -7.319 274 HG LEU 38 HG LEU 38 2.499 8.117 -6.988 275 HB2 LEU 38 2HB LEU 38 0.971 6.463 -4.972 276 HB3 LEU 38 1HB LEU 38 2.655 6.239 -5.394 277 HD11 LEU 38 1HD1 LEU 38 -0.289 8.456 -5.885 278 HD12 LEU 38 2HD1 LEU 38 0.114 7.925 -7.518 279 HD13 LEU 38 3HD1 LEU 38 0.532 9.557 -6.991 280 HD21 LEU 38 3HD2 LEU 38 1.580 8.768 -4.190 281 HD22 LEU 38 1HD2 LEU 38 2.338 9.896 -5.314 282 HD23 LEU 38 2HD2 LEU 38 3.248 8.516 -4.701 283 H LYS 39 H LYS 39 3.154 3.956 -7.087 284 HA LYS 39 HA LYS 39 4.778 5.329 -8.990 285 HB2 LYS 39 2HB LYS 39 5.965 4.039 -7.453 286 HB3 LYS 39 1HB LYS 39 4.868 2.678 -7.594 287 HG2 LYS 39 2HG LYS 39 6.979 2.097 -8.561 288 HG3 LYS 39 1HG LYS 39 5.776 2.220 -9.841 289 HD2 LYS 39 2HD LYS 39 6.616 4.414 -10.453 290 HD3 LYS 39 1HD LYS 39 7.779 4.358 -9.125 291 HE2 LYS 39 2HE LYS 39 8.883 2.453 -10.126 292 HE3 LYS 39 1HE LYS 39 7.676 2.388 -11.406 293 HZ1 LYS 39 3HZ LYS 39 9.834 3.458 -12.006 294 HZ2 LYS 39 1HZ LYS 39 9.433 4.737 -10.966 295 HZ3 LYS 39 2HZ LYS 39 8.461 4.401 -12.317 296 H THR 40 H THR 40 2.402 2.728 -9.201 297 HA THR 40 HA THR 40 2.877 2.659 -12.098 298 HB THR 40 HB THR 40 2.426 0.123 -11.931 299 HG1 THR 40 1HG THR 40 3.074 0.808 -9.255 300 HG21 THR 40 3HG2 THR 40 5.035 1.300 -10.965 301 HG22 THR 40 1HG2 THR 40 4.554 1.064 -12.647 302 HG23 THR 40 2HG2 THR 40 4.821 -0.331 -11.602 303 H ALA 41 H ALA 41 0.653 1.388 -9.586 304 HA ALA 41 HA ALA 41 -1.454 1.053 -11.513 305 HB1 ALA 41 3HB ALA 41 -2.790 0.282 -9.605 306 HB2 ALA 41 1HB ALA 41 -1.493 0.760 -8.513 307 HB3 ALA 41 2HB ALA 41 -1.226 -0.528 -9.689 308 H ILE 42 H ILE 42 -1.185 3.444 -12.032 309 HA ILE 42 HA ILE 42 -3.369 4.869 -10.736 310 HB ILE 42 HB ILE 42 -1.213 5.543 -9.618 311 HG12 ILE 42 2HG1 ILE 42 -1.656 7.997 -9.805 312 HG13 ILE 42 1HG1 ILE 42 -2.767 7.652 -11.127 313 HG21 ILE 42 1HG2 ILE 42 0.280 5.439 -11.524 314 HG22 ILE 42 2HG2 ILE 42 0.286 7.061 -10.828 315 HG23 ILE 42 3HG2 ILE 42 -0.608 6.743 -12.314 316 HD11 ILE 42 3HD1 ILE 42 -3.920 7.985 -8.999 317 HD12 ILE 42 1HD1 ILE 42 -3.034 6.623 -8.316 318 HD13 ILE 42 2HD1 ILE 42 -4.171 6.360 -9.639 319 H GLU 43 H GLU 43 -4.234 6.581 -12.104 320 HA GLU 43 HA GLU 43 -3.512 6.166 -14.916 321 HB2 GLU 43 2HB GLU 43 -5.722 6.964 -15.506 322 HB3 GLU 43 1HB GLU 43 -5.850 5.642 -14.356 323 HG2 GLU 43 2HG GLU 43 -6.383 7.142 -12.582 324 HG3 GLU 43 1HG GLU 43 -6.023 8.545 -13.589 325 H ILE 44 H ILE 44 -3.005 7.835 -16.226 326 HA ILE 44 HA ILE 44 -3.074 10.531 -15.100 327 HB ILE 44 HB ILE 44 -0.884 10.772 -16.584 328 HG12 ILE 44 2HG1 ILE 44 0.592 8.750 -15.877 329 HG13 ILE 44 1HG1 ILE 44 -0.939 7.888 -15.764 330 HG21 ILE 44 1HG2 ILE 44 0.430 10.591 -14.513 331 HG22 ILE 44 2HG2 ILE 44 -0.953 9.820 -13.733 332 HG23 ILE 44 3HG2 ILE 44 -1.074 11.486 -14.299 333 HD11 ILE 44 3HD1 ILE 44 0.118 9.257 -18.228 334 HD12 ILE 44 1HD1 ILE 44 -1.384 8.341 -18.105 335 HD13 ILE 44 2HD1 ILE 44 0.167 7.523 -17.905 336 H VAL 45 H VAL 45 -3.810 12.042 -16.441 337 HA VAL 45 HA VAL 45 -4.279 11.275 -19.240 338 HB VAL 45 HB VAL 45 -5.921 13.169 -19.272 339 HG11 VAL 45 1HG1 VAL 45 -6.685 10.883 -19.003 340 HG12 VAL 45 2HG1 VAL 45 -7.673 11.973 -18.027 341 HG13 VAL 45 3HG1 VAL 45 -6.430 10.982 -17.261 342 HG21 VAL 45 3HG2 VAL 45 -6.737 14.044 -17.130 343 HG22 VAL 45 1HG2 VAL 45 -5.050 14.471 -17.409 344 HG23 VAL 45 2HG2 VAL 45 -5.456 13.170 -16.290 345 H SER 46 H SER 46 -3.843 12.908 -20.873 346 HA SER 46 HA SER 46 -1.520 14.483 -20.057 347 HG SER 46 HG SER 46 0.047 14.797 -21.932 348 HB2 SER 46 2HB SER 46 -1.132 12.834 -21.826 349 HB3 SER 46 1HB SER 46 -2.374 13.596 -22.816 350 H GLU 47 H GLU 47 -1.382 16.589 -20.320 351 HA GLU 47 HA GLU 47 -3.707 18.147 -20.984 352 HB2 GLU 47 2HB GLU 47 -0.835 18.980 -20.500 353 HB3 GLU 47 1HB GLU 47 -2.197 20.080 -20.632 354 HG2 GLU 47 2HG GLU 47 -1.832 17.985 -18.503 355 HG3 GLU 47 1HG GLU 47 -1.532 19.711 -18.315 356 H GLU 48 H GLU 48 -4.241 18.838 -22.966 357 HA GLU 48 HA GLU 48 -2.958 17.836 -25.231 358 HB2 GLU 48 2HB GLU 48 -4.429 19.327 -26.526 359 HB3 GLU 48 1HB GLU 48 -5.288 18.458 -25.265 360 HG2 GLU 48 2HG GLU 48 -5.273 20.443 -23.862 361 HG3 GLU 48 1HG GLU 48 -4.381 21.318 -25.107 362 H ASP 49 H ASP 49 -2.621 20.929 -23.636 363 HA ASP 49 HA ASP 49 -1.033 22.210 -25.592 364 HB2 ASP 49 2HB ASP 49 -1.183 22.642 -22.600 365 HB3 ASP 49 1HB ASP 49 -0.315 23.699 -23.708 366 H GLY 50 H GLY 50 -0.263 19.991 -22.990 367 HA2 GLY 50 2HA GLY 50 1.841 18.693 -23.647 368 HA3 GLY 50 1HA GLY 50 2.601 20.277 -23.609 369 H GLY 51 H GLY 51 0.918 17.878 -21.619 370 HA2 GLY 51 2HA GLY 51 2.762 18.148 -19.511 371 HA3 GLY 51 1HA GLY 51 1.291 19.032 -19.127 372 H ALA 52 H ALA 52 1.881 17.087 -17.484 373 HA ALA 52 HA ALA 52 0.055 14.900 -18.226 374 HB1 ALA 52 3HB ALA 52 2.370 14.127 -17.924 375 HB2 ALA 52 1HB ALA 52 1.281 13.440 -16.719 376 HB3 ALA 52 2HB ALA 52 2.358 14.767 -16.280 377 H HIS 53 H HIS 53 -1.624 14.474 -16.915 378 HA HIS 53 HA HIS 53 -1.834 16.029 -14.410 379 HD1 HIS 53 1HD HIS 53 -5.474 16.297 -13.620 380 HD2 HIS 53 2HD HIS 53 -2.843 18.896 -15.523 381 HE1 HIS 53 1HE HIS 53 -5.732 18.501 -12.453 382 HE2 HIS 53 2HE HIS 53 -4.309 20.111 -13.766 383 HB2 HIS 53 2HB HIS 53 -3.392 16.353 -16.658 384 HB3 HIS 53 1HB HIS 53 -4.369 15.290 -15.652 385 H ASN 54 H ASN 54 -1.965 14.788 -12.689 386 HA ASN 54 HA ASN 54 -2.392 11.925 -13.023 387 HB2 ASN 54 2HB ASN 54 -0.471 12.624 -11.699 388 HB3 ASN 54 1HB ASN 54 -1.515 13.544 -10.620 389 HD21 ASN 54 2HD2 ASN 54 -1.099 9.530 -10.209 390 HD22 ASN 54 1HD2 ASN 54 -0.480 10.368 -11.586 391 H GLN 55 H GLN 55 -4.113 10.802 -12.282 392 HA GLN 55 HA GLN 55 -6.050 12.248 -10.600 393 HB2 GLN 55 2HB GLN 55 -6.906 10.094 -12.516 394 HB3 GLN 55 1HB GLN 55 -7.877 11.357 -11.772 395 HG2 GLN 55 2HG GLN 55 -6.396 12.962 -13.176 396 HG3 GLN 55 1HG GLN 55 -6.042 11.517 -14.119 397 HE21 GLN 55 2HE2 GLN 55 -9.216 11.330 -15.597 398 HE22 GLN 55 1HE2 GLN 55 -7.777 10.455 -15.190 399 H CYS 56 H CYS 56 -5.912 11.371 -8.636 400 HA CYS 56 HA CYS 56 -4.934 8.741 -8.185 401 HG CYS 56 HG CYS 56 -3.587 11.167 -7.582 402 HB2 CYS 56 2HB CYS 56 -6.390 10.627 -6.320 403 HB3 CYS 56 1HB CYS 56 -5.570 9.149 -5.825 404 H LYS 57 H LYS 57 -5.980 6.921 -8.474 405 HA LYS 57 HA LYS 57 -8.602 7.093 -9.624 406 HB2 LYS 57 2HB LYS 57 -6.489 5.812 -10.419 407 HB3 LYS 57 1HB LYS 57 -6.988 4.585 -9.267 408 HG2 LYS 57 2HG LYS 57 -8.996 4.162 -10.443 409 HG3 LYS 57 1HG LYS 57 -8.782 5.597 -11.450 410 HD2 LYS 57 2HD LYS 57 -8.151 3.763 -12.804 411 HD3 LYS 57 1HD LYS 57 -6.645 4.525 -12.293 412 HE2 LYS 57 2HE LYS 57 -6.277 2.225 -12.043 413 HE3 LYS 57 1HE LYS 57 -6.607 2.811 -10.414 414 HZ1 LYS 57 3HZ LYS 57 -8.877 2.016 -10.607 415 HZ2 LYS 57 1HZ LYS 57 -7.790 0.746 -10.893 416 HZ3 LYS 57 2HZ LYS 57 -8.591 1.490 -12.192 417 H LEU 58 H LEU 58 -8.666 7.504 -6.813 418 HA LEU 58 HA LEU 58 -10.604 5.482 -6.111 419 HG LEU 58 HG LEU 58 -10.509 4.373 -3.661 420 HB2 LEU 58 2HB LEU 58 -8.095 4.862 -5.411 421 HB3 LEU 58 1HB LEU 58 -8.526 5.852 -4.030 422 HD11 LEU 58 1HD1 LEU 58 -10.749 3.526 -5.916 423 HD12 LEU 58 2HD1 LEU 58 -10.524 2.189 -4.785 424 HD13 LEU 58 3HD1 LEU 58 -9.185 2.722 -5.805 425 HD21 LEU 58 3HD2 LEU 58 -8.449 4.059 -2.386 426 HD22 LEU 58 1HD2 LEU 58 -7.820 3.002 -3.650 427 HD23 LEU 58 2HD2 LEU 58 -9.234 2.514 -2.715 428 H CYS 59 H CYS 59 -10.051 8.535 -6.381 429 HA CYS 59 HA CYS 59 -11.655 9.298 -4.097 430 HG CYS 59 HG CYS 59 -8.186 9.871 -5.854 431 HB2 CYS 59 2HB CYS 59 -10.078 11.074 -3.362 432 HB3 CYS 59 1HB CYS 59 -9.474 9.443 -3.095 433 H GLY 60 H GLY 60 -10.068 10.156 -7.102 434 HA2 GLY 60 2HA GLY 60 -11.121 11.350 -8.821 435 HA3 GLY 60 1HA GLY 60 -12.277 11.968 -7.651 436 H ALA 61 H ALA 61 -9.274 12.356 -6.303 437 HA ALA 61 HA ALA 61 -9.273 15.182 -6.814 438 HB1 ALA 61 3HB ALA 61 -7.241 13.490 -5.350 439 HB2 ALA 61 1HB ALA 61 -8.641 14.276 -4.617 440 HB3 ALA 61 2HB ALA 61 -7.348 15.251 -5.316 441 H SER 62 H SER 62 -7.917 16.340 -8.132 442 HA SER 62 HA SER 62 -6.316 14.733 -9.985 443 HG SER 62 HG SER 62 -7.460 17.859 -9.201 444 HB2 SER 62 2HB SER 62 -6.382 16.748 -11.449 445 HB3 SER 62 1HB SER 62 -7.979 16.106 -11.078 446 H VAL 63 H VAL 63 -4.210 14.784 -9.942 447 HA VAL 63 HA VAL 63 -2.912 16.647 -8.073 448 HB VAL 63 HB VAL 63 -2.066 13.896 -9.013 449 HG11 VAL 63 1HG1 VAL 63 -0.292 14.028 -7.334 450 HG12 VAL 63 2HG1 VAL 63 -0.743 15.699 -6.993 451 HG13 VAL 63 3HG1 VAL 63 -0.103 15.264 -8.579 452 HG21 VAL 63 3HG2 VAL 63 -3.966 13.865 -7.488 453 HG22 VAL 63 1HG2 VAL 63 -3.060 14.837 -6.329 454 HG23 VAL 63 2HG2 VAL 63 -2.524 13.202 -6.719 455 HA PRO 64 HA PRO 64 -0.550 18.593 -11.353 456 HB2 PRO 64 1HB PRO 64 1.001 19.886 -10.254 457 HB3 PRO 64 2HB PRO 64 1.572 18.540 -9.261 458 HG2 PRO 64 2HG PRO 64 0.267 19.720 -7.720 459 HG3 PRO 64 1HG PRO 64 -0.911 20.197 -8.958 460 HD2 PRO 64 2HD PRO 64 -0.576 17.566 -7.572 461 HD3 PRO 64 1HD PRO 64 -2.064 18.424 -8.022 462 H TRP 65 H TRP 65 -0.084 15.527 -10.299 463 HA TRP 65 HA TRP 65 0.695 13.746 -11.451 464 HD1 TRP 65 HD TRP 65 3.299 17.161 -13.430 465 HE1 TRP 65 1HE TRP 65 5.728 16.652 -14.106 466 HE3 TRP 65 3HE TRP 65 3.064 12.052 -13.508 467 HZ2 TRP 65 2HZ TRP 65 7.331 14.385 -14.613 468 HZ3 TRP 65 3HZ TRP 65 5.091 10.792 -14.102 469 HH2 TRP 65 HH TRP 65 7.179 11.935 -14.644 470 HB2 TRP 65 2HB TRP 65 1.270 13.975 -13.584 471 HB3 TRP 65 1HB TRP 65 1.101 15.704 -13.355 472 H LEU 66 H LEU 66 2.973 16.147 -10.342 473 HA LEU 66 HA LEU 66 5.100 14.259 -10.028 474 HG LEU 66 HG LEU 66 6.689 15.721 -7.832 475 HB2 LEU 66 2HB LEU 66 5.429 16.700 -10.400 476 HB3 LEU 66 1HB LEU 66 4.803 16.991 -8.788 477 HD11 LEU 66 1HD1 LEU 66 7.653 15.567 -10.684 478 HD12 LEU 66 2HD1 LEU 66 7.105 14.213 -9.695 479 HD13 LEU 66 3HD1 LEU 66 8.571 15.089 -9.255 480 HD21 LEU 66 3HD2 LEU 66 8.414 17.369 -8.283 481 HD22 LEU 66 1HD2 LEU 66 6.843 18.152 -8.123 482 HD23 LEU 66 2HD2 LEU 66 7.549 17.911 -9.722 483 H GLN 67 H GLN 67 3.870 12.648 -8.867 484 HA GLN 67 HA GLN 67 3.492 11.405 -7.016 485 HB2 GLN 67 2HB GLN 67 5.300 13.487 -5.805 486 HB3 GLN 67 1HB GLN 67 4.683 12.121 -4.886 487 HG2 GLN 67 2HG GLN 67 6.262 11.821 -7.429 488 HG3 GLN 67 1HG GLN 67 6.992 11.854 -5.824 489 HE21 GLN 67 2HE2 GLN 67 5.057 8.549 -7.162 490 HE22 GLN 67 1HE2 GLN 67 5.018 10.035 -8.039 491 H THR 68 H THR 68 3.671 14.328 -5.110 492 HA THR 68 HA THR 68 0.866 13.943 -4.333 493 HB THR 68 HB THR 68 3.013 15.566 -2.941 494 HG1 THR 68 1HG THR 68 3.734 13.702 -2.279 495 HG21 THR 68 3HG2 THR 68 0.715 16.221 -2.369 496 HG22 THR 68 1HG2 THR 68 1.525 15.451 -1.003 497 HG23 THR 68 2HG2 THR 68 0.344 14.548 -1.952 498 H GLY 69 H GLY 69 2.974 16.003 -6.064 499 HA2 GLY 69 2HA GLY 69 2.557 18.003 -7.172 500 HA3 GLY 69 1HA GLY 69 0.935 18.015 -6.480 501 H ASP 70 H ASP 70 0.811 18.430 -4.140 502 HA ASP 70 HA ASP 70 2.928 19.104 -2.523 503 HB2 ASP 70 2HB ASP 70 2.858 21.165 -4.175 504 HB3 ASP 70 1HB ASP 70 1.535 21.679 -3.132 505 H GLU 71 H GLU 71 -0.059 20.970 -2.831 506 HA GLU 71 HA GLU 71 -1.044 19.589 -0.436 507 HB2 GLU 71 2HB GLU 71 -1.263 22.512 -1.147 508 HB3 GLU 71 1HB GLU 71 -2.146 21.747 0.163 509 HG2 GLU 71 2HG GLU 71 -0.077 21.202 1.283 510 HG3 GLU 71 1HG GLU 71 0.849 21.873 -0.060 511 H ILE 72 H ILE 72 -2.115 18.189 -1.982 512 HA ILE 72 HA ILE 72 -4.332 19.366 -3.436 513 HB ILE 72 HB ILE 72 -2.993 17.312 -4.221 514 HG12 ILE 72 2HG1 ILE 72 -4.956 16.368 -5.338 515 HG13 ILE 72 1HG1 ILE 72 -6.011 17.147 -4.163 516 HG21 ILE 72 1HG2 ILE 72 -3.071 16.009 -2.183 517 HG22 ILE 72 2HG2 ILE 72 -3.883 15.139 -3.485 518 HG23 ILE 72 3HG2 ILE 72 -4.834 15.964 -2.251 519 HD11 ILE 72 3HD1 ILE 72 -5.317 19.328 -4.953 520 HD12 ILE 72 1HD1 ILE 72 -5.957 18.351 -6.276 521 HD13 ILE 72 2HD1 ILE 72 -4.215 18.573 -6.106 522 H LYS 73 H LYS 73 -6.583 18.696 -3.032 523 HA LYS 73 HA LYS 73 -7.157 19.002 -0.254 524 HB2 LYS 73 2HB LYS 73 -9.028 18.483 -2.570 525 HB3 LYS 73 1HB LYS 73 -9.519 18.958 -0.948 526 HG2 LYS 73 2HG LYS 73 -7.901 20.581 -2.901 527 HG3 LYS 73 1HG LYS 73 -9.548 20.896 -2.350 528 HD2 LYS 73 2HD LYS 73 -8.789 21.373 -0.131 529 HD3 LYS 73 1HD LYS 73 -7.158 20.823 -0.513 530 HE2 LYS 73 2HE LYS 73 -7.193 23.226 -0.480 531 HE3 LYS 73 1HE LYS 73 -6.954 22.671 -2.137 532 HZ1 LYS 73 3HZ LYS 73 -9.300 23.073 -2.567 533 HZ2 LYS 73 1HZ LYS 73 -8.532 24.483 -2.028 534 HZ3 LYS 73 2HZ LYS 73 -9.523 23.604 -0.972 535 H HIS 74 H HIS 74 -7.771 17.539 1.216 536 HA HIS 74 HA HIS 74 -7.053 14.824 0.461 537 HD1 HIS 74 1HD HIS 74 -8.560 15.225 4.771 538 HD2 HIS 74 2HD HIS 74 -6.414 18.338 3.010 539 HE1 HIS 74 1HE HIS 74 -9.038 17.264 6.164 540 HE2 HIS 74 2HE HIS 74 -7.841 19.159 5.008 541 HB2 HIS 74 2HB HIS 74 -6.929 14.446 2.957 542 HB3 HIS 74 1HB HIS 74 -5.800 15.630 2.315 543 H ALA 75 H ALA 75 -8.551 13.442 -0.056 544 HA ALA 75 HA ALA 75 -11.163 13.470 1.219 545 HB1 ALA 75 3HB ALA 75 -11.649 11.548 -0.227 546 HB2 ALA 75 1HB ALA 75 -9.978 11.548 -0.792 547 HB3 ALA 75 2HB ALA 75 -11.035 12.913 -1.158 548 H ASP 76 H ASP 76 -11.058 12.853 3.284 549 HA ASP 76 HA ASP 76 -8.860 11.511 4.374 550 HB2 ASP 76 2HB ASP 76 -11.551 11.828 5.692 551 HB3 ASP 76 1HB ASP 76 -9.977 11.718 6.466 552 H ASP 77 H ASP 77 -11.920 10.258 3.236 553 HA ASP 77 HA ASP 77 -11.661 7.772 4.681 554 HB2 ASP 77 2HB ASP 77 -13.891 8.703 4.157 555 HB3 ASP 77 1HB ASP 77 -13.562 8.493 2.439 556 H CYS 78 H CYS 78 -10.601 9.033 1.677 557 HA CYS 78 HA CYS 78 -10.429 6.490 0.338 558 HG CYS 78 HG CYS 78 -12.407 8.033 -0.569 559 HB2 CYS 78 2HB CYS 78 -9.286 9.177 -0.449 560 HB3 CYS 78 1HB CYS 78 -9.430 7.763 -1.489 561 HA PRO 79 HA PRO 79 -6.693 5.350 2.438 562 HB2 PRO 79 1HB PRO 79 -6.549 3.114 1.998 563 HB3 PRO 79 2HB PRO 79 -6.517 3.360 0.249 564 HG2 PRO 79 2HG PRO 79 -8.673 2.532 0.501 565 HG3 PRO 79 1HG PRO 79 -8.861 3.257 2.110 566 HD2 PRO 79 2HD PRO 79 -9.052 4.548 -0.589 567 HD3 PRO 79 1HD PRO 79 -10.061 4.797 0.853 568 H VAL 80 H VAL 80 -6.838 6.108 -0.978 569 HA VAL 80 HA VAL 80 -4.048 5.967 -1.481 570 HB VAL 80 HB VAL 80 -6.181 7.556 -2.920 571 HG11 VAL 80 1HG1 VAL 80 -4.604 7.705 -4.773 572 HG12 VAL 80 2HG1 VAL 80 -3.376 6.882 -3.813 573 HG13 VAL 80 3HG1 VAL 80 -3.944 8.483 -3.335 574 HG21 VAL 80 3HG2 VAL 80 -6.066 5.728 -4.562 575 HG22 VAL 80 1HG2 VAL 80 -6.577 5.160 -2.973 576 HG23 VAL 80 2HG2 VAL 80 -4.924 4.880 -3.520 577 H VAL 81 H VAL 81 -6.168 8.491 -0.270 578 HA VAL 81 HA VAL 81 -4.184 10.554 -0.351 579 HB VAL 81 HB VAL 81 -6.719 10.404 1.299 580 HG11 VAL 81 1HG1 VAL 81 -5.161 12.038 2.184 581 HG12 VAL 81 2HG1 VAL 81 -6.526 12.849 1.420 582 HG13 VAL 81 3HG1 VAL 81 -4.974 12.760 0.586 583 HG21 VAL 81 3HG2 VAL 81 -7.711 11.803 -0.459 584 HG22 VAL 81 1HG2 VAL 81 -7.194 10.237 -1.085 585 HG23 VAL 81 2HG2 VAL 81 -6.221 11.676 -1.397 586 H ILE 82 H ILE 82 -5.339 8.228 2.018 587 HA ILE 82 HA ILE 82 -3.785 9.109 4.206 588 HB ILE 82 HB ILE 82 -4.710 6.290 3.600 589 HG12 ILE 82 2HG1 ILE 82 -6.572 7.919 3.633 590 HG13 ILE 82 1HG1 ILE 82 -6.653 6.789 4.981 591 HG21 ILE 82 1HG2 ILE 82 -3.891 7.576 6.205 592 HG22 ILE 82 2HG2 ILE 82 -2.980 6.359 5.308 593 HG23 ILE 82 3HG2 ILE 82 -4.538 5.946 6.019 594 HD11 ILE 82 3HD1 ILE 82 -5.760 8.484 6.471 595 HD12 ILE 82 1HD1 ILE 82 -7.203 9.075 5.648 596 HD13 ILE 82 2HD1 ILE 82 -5.606 9.609 5.122 597 H ALA 83 H ALA 83 -3.228 6.666 1.698 598 HA ALA 83 HA ALA 83 -0.813 5.634 2.557 599 HB1 ALA 83 3HB ALA 83 -0.456 4.902 0.264 600 HB2 ALA 83 1HB ALA 83 -1.691 6.028 -0.303 601 HB3 ALA 83 2HB ALA 83 -2.140 4.674 0.734 602 H LYS 84 H LYS 84 -1.365 8.496 0.513 603 HA LYS 84 HA LYS 84 1.347 9.004 -0.038 604 HB2 LYS 84 2HB LYS 84 -1.011 10.881 0.091 605 HB3 LYS 84 1HB LYS 84 0.582 11.357 -0.476 606 HG2 LYS 84 2HG LYS 84 0.387 9.499 -2.175 607 HG3 LYS 84 1HG LYS 84 -1.311 9.383 -1.703 608 HD2 LYS 84 2HD LYS 84 -1.673 11.696 -2.325 609 HD3 LYS 84 1HD LYS 84 0.039 11.881 -2.709 610 HE2 LYS 84 2HE LYS 84 -0.238 10.079 -4.425 611 HE3 LYS 84 1HE LYS 84 -1.973 10.130 -4.116 612 HZ1 LYS 84 3HZ LYS 84 -1.895 12.521 -4.726 613 HZ2 LYS 84 1HZ LYS 84 -1.503 11.479 -6.001 614 HZ3 LYS 84 2HZ LYS 84 -0.279 12.317 -5.190 615 H GLN 85 H GLN 85 -0.771 10.219 2.529 616 HA GLN 85 HA GLN 85 1.076 11.821 3.862 617 HB2 GLN 85 2HB GLN 85 -1.254 10.210 4.920 618 HB3 GLN 85 1HB GLN 85 -0.394 11.427 5.839 619 HG2 GLN 85 2HG GLN 85 -1.087 13.153 4.317 620 HG3 GLN 85 1HG GLN 85 -1.837 11.959 3.259 621 HE21 GLN 85 2HE2 GLN 85 -4.747 11.632 5.152 622 HE22 GLN 85 1HE2 GLN 85 -3.751 10.980 3.898 623 H ILE 86 H ILE 86 0.398 8.370 4.101 624 HA ILE 86 HA ILE 86 2.129 7.799 6.258 625 HB ILE 86 HB ILE 86 1.089 6.019 4.048 626 HG12 ILE 86 2HG1 ILE 86 0.191 6.363 6.918 627 HG13 ILE 86 1HG1 ILE 86 -0.623 7.044 5.518 628 HG21 ILE 86 1HG2 ILE 86 2.429 5.239 6.635 629 HG22 ILE 86 2HG2 ILE 86 3.107 5.056 5.017 630 HG23 ILE 86 3HG2 ILE 86 1.682 4.129 5.487 631 HD11 ILE 86 3HD1 ILE 86 -0.264 4.115 6.092 632 HD12 ILE 86 1HD1 ILE 86 -1.076 4.797 4.683 633 HD13 ILE 86 2HD1 ILE 86 -1.749 5.045 6.295 634 H LEU 87 H LEU 87 2.580 7.457 2.722 635 HA LEU 87 HA LEU 87 5.222 6.441 3.000 636 HG LEU 87 HG LEU 87 2.663 7.986 0.807 637 HB2 LEU 87 2HB LEU 87 5.400 6.775 0.546 638 HB3 LEU 87 1HB LEU 87 4.031 5.813 1.053 639 HD11 LEU 87 1HD1 LEU 87 5.054 8.710 -0.878 640 HD12 LEU 87 2HD1 LEU 87 4.542 9.526 0.599 641 HD13 LEU 87 3HD1 LEU 87 3.513 9.567 -0.832 642 HD21 LEU 87 3HD2 LEU 87 2.346 7.555 -1.586 643 HD22 LEU 87 1HD2 LEU 87 2.422 6.064 -0.647 644 HD23 LEU 87 2HD2 LEU 87 3.816 6.579 -1.596 645 H SER 88 H SER 88 3.968 9.613 3.066 646 HA SER 88 HA SER 88 6.543 10.832 2.504 647 HG SER 88 HG SER 88 4.991 14.006 2.697 648 HB2 SER 88 2HB SER 88 4.353 11.919 1.871 649 HB3 SER 88 1HB SER 88 4.047 12.158 3.590 650 H SER 89 H SER 89 4.450 10.099 5.230 651 HA SER 89 HA SER 89 4.870 9.771 7.431 652 HG SER 89 HG SER 89 5.934 8.067 6.136 653 HB2 SER 89 2HB SER 89 7.801 9.985 6.692 654 HB3 SER 89 1HB SER 89 7.134 9.255 8.151 655 H ARG 90 H ARG 90 4.700 12.521 6.212 656 HA ARG 90 HA ARG 90 5.874 13.965 8.486 657 HE ARG 90 HE ARG 90 10.164 14.298 7.333 658 HB2 ARG 90 2HB ARG 90 5.913 14.741 5.582 659 HB3 ARG 90 1HB ARG 90 6.109 15.932 6.860 660 HG2 ARG 90 2HG ARG 90 7.864 13.528 6.423 661 HG3 ARG 90 1HG ARG 90 8.254 15.191 5.976 662 HD2 ARG 90 2HD ARG 90 8.095 15.848 8.335 663 HD3 ARG 90 1HD ARG 90 7.729 14.180 8.767 664 HH11 ARG 90 1HH1 ARG 90 8.807 15.119 10.466 665 HH12 ARG 90 2HH1 ARG 90 10.305 14.881 11.315 666 HH21 ARG 90 2HH2 ARG 90 12.196 14.243 10.170 667 HH22 ARG 90 1HH2 ARG 90 12.136 13.999 8.449 668 HA PRO 91 HA PRO 91 1.651 15.554 8.532 669 HB2 PRO 91 1HB PRO 91 0.923 13.790 9.820 670 HB3 PRO 91 2HB PRO 91 1.140 14.961 11.122 671 HG2 PRO 91 2HG PRO 91 2.943 13.855 11.937 672 HG3 PRO 91 1HG PRO 91 2.472 12.518 10.880 673 HD2 PRO 91 2HD PRO 91 4.740 14.319 10.642 674 HD3 PRO 91 1HD PRO 91 4.376 12.857 9.702 675 H LYS 92 H LYS 92 0.802 17.376 9.872 676 HA LYS 92 HA LYS 92 2.711 18.707 11.606 677 HB2 LYS 92 2HB LYS 92 3.126 19.427 9.173 678 HB3 LYS 92 1HB LYS 92 1.568 20.235 9.270 679 HG2 LYS 92 2HG LYS 92 2.397 21.571 11.161 680 HG3 LYS 92 1HG LYS 92 3.969 20.783 11.002 681 HD2 LYS 92 2HD LYS 92 4.068 21.631 8.652 682 HD3 LYS 92 1HD LYS 92 2.598 22.549 8.980 683 HE2 LYS 92 2HE LYS 92 5.238 22.826 10.415 684 HE3 LYS 92 1HE LYS 92 4.577 23.951 9.231 685 HZ1 LYS 92 3HZ LYS 92 3.432 23.330 11.902 686 HZ2 LYS 92 1HZ LYS 92 2.706 24.347 10.749 687 HZ3 LYS 92 2HZ LYS 92 4.198 24.771 11.441 688 H LEU 93 H LEU 93 1.731 20.393 12.872 689 HA LEU 93 HA LEU 93 -0.963 19.795 13.570 690 HG LEU 93 HG LEU 93 -1.574 22.462 14.995 691 HB2 LEU 93 2HB LEU 93 0.684 20.475 15.244 692 HB3 LEU 93 1HB LEU 93 0.838 22.044 14.475 693 HD11 LEU 93 1HD1 LEU 93 -1.283 19.945 16.623 694 HD12 LEU 93 2HD1 LEU 93 -2.324 20.170 15.217 695 HD13 LEU 93 3HD1 LEU 93 -2.640 21.069 16.702 696 HD21 LEU 93 3HD2 LEU 93 -1.201 22.971 17.340 697 HD22 LEU 93 1HD2 LEU 93 0.229 23.359 16.387 698 HD23 LEU 93 2HD2 LEU 93 0.195 21.895 17.370 699 H HIS 94 H HIS 94 -2.549 20.353 12.232 700 HA HIS 94 HA HIS 94 -2.704 23.186 11.466 701 HD1 HIS 94 1HD HIS 94 -4.607 24.005 8.785 702 HD2 HIS 94 2HD HIS 94 -0.701 22.589 8.552 703 HE1 HIS 94 1HE HIS 94 -3.392 25.596 7.253 704 HE2 HIS 94 2HE HIS 94 -0.997 24.797 7.233 705 HB2 HIS 94 2HB HIS 94 -2.626 20.959 9.713 706 HB3 HIS 94 1HB HIS 94 -4.272 21.585 9.676 707 H ALA 95 H ALA 95 -5.113 20.716 10.857 708 HA ALA 95 HA ALA 95 -7.217 20.340 11.592 709 HB1 ALA 95 3HB ALA 95 -6.121 20.013 13.770 710 HB2 ALA 95 1HB ALA 95 -7.754 20.660 13.920 711 HB3 ALA 95 2HB ALA 95 -6.362 21.724 14.128 712 H VAL 96 H VAL 96 -9.051 21.291 11.017 713 HA VAL 96 HA VAL 96 -9.104 24.201 10.844 714 HB VAL 96 HB VAL 96 -11.214 23.859 9.538 715 HG11 VAL 96 1HG1 VAL 96 -9.068 24.178 8.438 716 HG12 VAL 96 2HG1 VAL 96 -10.100 23.084 7.519 717 HG13 VAL 96 3HG1 VAL 96 -8.771 22.439 8.485 718 HG21 VAL 96 3HG2 VAL 96 -10.461 20.942 9.694 719 HG22 VAL 96 1HG2 VAL 96 -11.721 21.633 8.672 720 HG23 VAL 96 2HG2 VAL 96 -11.880 21.692 10.426 721 HA MET 1 HA MET 1 -37.122 5.669 -6.736 722 H1 MET 1 1H MET 1 -36.884 7.913 -8.644 723 H2 MET 1 2H MET 1 -37.247 8.066 -6.997 724 H3 MET 1 3H MET 1 -38.321 7.253 -8.028 725 HB2 MET 1 2HB MET 1 -36.235 4.282 -8.505 726 HB3 MET 1 1HB MET 1 -37.661 5.116 -9.098 727 HG2 MET 1 2HG MET 1 -34.815 5.926 -9.663 728 HG3 MET 1 1HG MET 1 -35.851 5.012 -10.756 729 HE1 MET 1 3HE MET 1 -35.712 8.410 -12.618 730 HE2 MET 1 1HE MET 1 -35.536 6.661 -12.743 731 HE3 MET 1 2HE MET 1 -34.395 7.594 -11.774 732 H GLY 2 H GLY 2 -35.148 4.752 -6.037 733 HA2 GLY 2 2HA GLY 2 -32.764 4.749 -5.851 734 HA3 GLY 2 1HA GLY 2 -32.746 6.399 -6.460 735 H SER 3 H SER 3 -31.277 5.955 -4.277 736 HA SER 3 HA SER 3 -32.816 7.378 -2.224 737 HG SER 3 HG SER 3 -31.608 3.926 -2.388 738 HB2 SER 3 2HB SER 3 -31.466 5.978 -0.516 739 HB3 SER 3 1HB SER 3 -32.865 5.236 -1.291 740 H SER 4 H SER 4 -29.553 6.188 -2.978 741 HA SER 4 HA SER 4 -27.489 7.095 -2.782 742 HG SER 4 HG SER 4 -29.484 9.246 -4.796 743 HB2 SER 4 2HB SER 4 -28.818 9.809 -2.903 744 HB3 SER 4 1HB SER 4 -27.173 9.389 -3.382 745 H HIS 5 H HIS 5 -27.289 6.317 -0.641 746 HA HIS 5 HA HIS 5 -27.897 8.252 1.464 747 HD1 HIS 5 1HD HIS 5 -26.103 4.833 3.886 748 HD2 HIS 5 2HD HIS 5 -26.966 4.259 -0.142 749 HE1 HIS 5 1HE HIS 5 -24.810 2.783 3.201 750 HE2 HIS 5 2HE HIS 5 -25.321 2.471 0.753 751 HB2 HIS 5 2HB HIS 5 -27.699 6.481 3.068 752 HB3 HIS 5 1HB HIS 5 -28.701 5.904 1.748 753 H HIS 6 H HIS 6 -26.395 9.584 2.113 754 HA HIS 6 HA HIS 6 -23.574 8.844 1.697 755 HD1 HIS 6 1HD HIS 6 -23.139 13.263 2.209 756 HD2 HIS 6 2HD HIS 6 -21.429 10.066 0.170 757 HE1 HIS 6 1HE HIS 6 -20.700 13.831 1.977 758 HE2 HIS 6 2HE HIS 6 -19.765 12.020 0.495 759 HB2 HIS 6 2HB HIS 6 -24.358 10.605 0.147 760 HB3 HIS 6 1HB HIS 6 -24.824 11.596 1.522 761 H HIS 7 H HIS 7 -22.544 8.543 3.538 762 HA HIS 7 HA HIS 7 -23.501 9.652 6.020 763 HD1 HIS 7 1HD HIS 7 -21.428 5.583 5.425 764 HD2 HIS 7 2HD HIS 7 -24.553 7.725 7.145 765 HE1 HIS 7 1HE HIS 7 -23.208 3.884 5.955 766 HE2 HIS 7 2HE HIS 7 -25.172 5.247 6.764 767 HB2 HIS 7 2HB HIS 7 -21.044 8.026 5.350 768 HB3 HIS 7 1HB HIS 7 -21.444 8.563 6.978 769 H HIS 8 H HIS 8 -22.284 11.001 7.421 770 HA HIS 8 HA HIS 8 -20.516 12.851 5.966 771 HD1 HIS 8 1HD HIS 8 -22.258 16.040 6.222 772 HD2 HIS 8 2HD HIS 8 -19.342 14.842 8.941 773 HE1 HIS 8 1HE HIS 8 -20.797 18.057 6.590 774 HE2 HIS 8 2HE HIS 8 -18.987 17.291 8.169 775 HB2 HIS 8 2HB HIS 8 -22.643 13.749 7.027 776 HB3 HIS 8 1HB HIS 8 -21.929 13.372 8.590 777 H HIS 9 H HIS 9 -18.570 11.843 6.211 778 HA HIS 9 HA HIS 9 -17.711 10.963 8.853 779 HD1 HIS 9 1HD HIS 9 -13.818 10.703 7.585 780 HD2 HIS 9 2HD HIS 9 -16.719 7.988 8.826 781 HE1 HIS 9 1HE HIS 9 -12.615 9.037 9.049 782 HE2 HIS 9 2HE HIS 9 -14.356 7.298 9.623 783 HB2 HIS 9 2HB HIS 9 -17.243 9.736 6.616 784 HB3 HIS 9 1HB HIS 9 -16.015 10.969 6.360 785 H HIS 10 H HIS 10 -16.034 11.922 10.020 786 HA HIS 10 HA HIS 10 -15.748 14.746 9.538 787 HD1 HIS 10 1HD HIS 10 -16.026 12.392 13.534 788 HD2 HIS 10 2HD HIS 10 -17.573 15.474 11.208 789 HE1 HIS 10 1HE HIS 10 -18.337 12.830 14.432 790 HE2 HIS 10 2HE HIS 10 -19.227 14.747 13.062 791 HB2 HIS 10 2HB HIS 10 -14.502 13.025 11.689 792 HB3 HIS 10 1HB HIS 10 -14.492 14.784 11.655 793 H SER 11 H SER 11 -13.028 12.865 10.707 794 HA SER 11 HA SER 11 -11.439 12.806 8.425 795 HG SER 11 HG SER 11 -9.625 14.520 7.724 796 HB2 SER 11 2HB SER 11 -11.608 15.267 8.444 797 HB3 SER 11 1HB SER 11 -10.991 15.302 10.094 798 H SER 12 H SER 12 -10.663 14.124 11.633 799 HA SER 12 HA SER 12 -8.695 11.997 11.985 800 HG SER 12 HG SER 12 -7.285 12.425 13.750 801 HB2 SER 12 2HB SER 12 -8.001 14.359 12.311 802 HB3 SER 12 1HB SER 12 -9.172 14.509 13.620 803 H GLY 13 H GLY 13 -8.597 10.722 13.866 804 HA2 GLY 13 2HA GLY 13 -10.865 10.827 15.718 805 HA3 GLY 13 1HA GLY 13 -10.630 9.341 14.805 806 H ARG 14 H ARG 14 -8.786 11.634 16.771 807 HA ARG 14 HA ARG 14 -7.303 11.375 18.454 808 HE ARG 14 HE ARG 14 -9.834 7.401 19.406 809 HB2 ARG 14 2HB ARG 14 -8.064 8.465 18.318 810 HB3 ARG 14 1HB ARG 14 -6.818 9.069 19.400 811 HG2 ARG 14 2HG ARG 14 -8.661 9.016 20.765 812 HG3 ARG 14 1HG ARG 14 -8.670 10.691 20.215 813 HD2 ARG 14 2HD ARG 14 -10.905 9.825 20.101 814 HD3 ARG 14 1HD ARG 14 -10.300 10.048 18.459 815 HH11 ARG 14 1HH1 ARG 14 -12.311 9.495 18.083 816 HH12 ARG 14 2HH1 ARG 14 -13.250 8.178 17.445 817 HH21 ARG 14 2HH2 ARG 14 -12.552 6.025 17.716 818 HH22 ARG 14 1HH2 ARG 14 -11.058 5.676 18.549 819 H GLU 15 H GLU 15 -6.800 8.454 16.531 820 HA GLU 15 HA GLU 15 -4.993 7.569 15.525 821 HB2 GLU 15 2HB GLU 15 -4.379 10.490 15.187 822 HB3 GLU 15 1HB GLU 15 -3.247 9.261 14.656 823 HG2 GLU 15 2HG GLU 15 -4.613 10.011 12.812 824 HG3 GLU 15 1HG GLU 15 -4.959 8.324 13.184 825 H ASN 16 H ASN 16 -2.568 9.754 16.165 826 HA ASN 16 HA ASN 16 -0.808 9.857 17.583 827 HB2 ASN 16 2HB ASN 16 -2.560 10.182 19.325 828 HB3 ASN 16 1HB ASN 16 -2.576 8.443 19.592 829 HD21 ASN 16 2HD2 ASN 16 -0.282 8.975 22.134 830 HD22 ASN 16 1HD2 ASN 16 -1.858 8.439 21.659 831 H LEU 17 H LEU 17 0.907 8.610 18.479 832 HA LEU 17 HA LEU 17 2.386 6.890 18.488 833 HG LEU 17 HG LEU 17 2.531 5.722 20.642 834 HB2 LEU 17 2HB LEU 17 0.187 6.146 19.927 835 HB3 LEU 17 1HB LEU 17 0.318 4.819 18.792 836 HD11 LEU 17 1HD1 LEU 17 0.681 3.349 20.855 837 HD12 LEU 17 2HD1 LEU 17 0.649 4.781 21.883 838 HD13 LEU 17 3HD1 LEU 17 2.043 3.702 21.918 839 HD21 LEU 17 3HD2 LEU 17 3.598 3.614 20.005 840 HD22 LEU 17 1HD2 LEU 17 3.355 4.662 18.609 841 HD23 LEU 17 2HD2 LEU 17 2.281 3.288 18.877 842 H TYR 18 H TYR 18 2.304 7.498 16.039 843 HA TYR 18 HA TYR 18 1.754 5.012 14.551 844 HD1 TYR 18 1HD TYR 18 -0.783 5.070 13.197 845 HD2 TYR 18 2HD TYR 18 2.409 6.918 11.088 846 HE1 TYR 18 1HE TYR 18 -1.416 3.829 11.172 847 HE2 TYR 18 2HE TYR 18 1.787 5.686 9.050 848 HH TYR 18 HH TYR 18 -1.173 3.987 8.750 849 HB2 TYR 18 2HB TYR 18 0.328 7.129 14.039 850 HB3 TYR 18 1HB TYR 18 1.780 7.726 13.246 851 H PHE 19 H PHE 19 3.404 4.177 13.419 852 HA PHE 19 HA PHE 19 5.531 3.736 12.795 853 HD1 PHE 19 2HD PHE 19 5.400 3.351 11.037 854 HD2 PHE 19 1HD PHE 19 5.262 7.529 10.243 855 HE1 PHE 19 2HE PHE 19 4.561 2.883 8.773 856 HE2 PHE 19 1HE PHE 19 4.424 7.072 7.974 857 HZ PHE 19 HZ PHE 19 4.078 4.749 7.236 858 HB2 PHE 19 2HB PHE 19 5.575 6.729 12.465 859 HB3 PHE 19 1HB PHE 19 6.989 5.737 12.132 860 H GLN 20 H GLN 20 4.724 4.533 15.614 861 HA GLN 20 HA GLN 20 7.449 4.805 16.689 862 HB2 GLN 20 2HB GLN 20 5.872 6.587 17.385 863 HB3 GLN 20 1HB GLN 20 4.807 5.362 18.059 864 HG2 GLN 20 2HG GLN 20 6.065 6.398 19.821 865 HG3 GLN 20 1HG GLN 20 6.582 4.724 19.638 866 HE21 GLN 20 2HE2 GLN 20 9.875 5.498 18.775 867 HE22 GLN 20 1HE2 GLN 20 8.646 4.280 18.922 868 H GLY 21 H GLY 21 4.457 2.984 16.760 869 HA2 GLY 21 2HA GLY 21 5.800 0.630 17.687 870 HA3 GLY 21 1HA GLY 21 4.756 1.334 18.914 871 H MET 22 H MET 22 2.688 2.266 17.309 872 HA MET 22 HA MET 22 0.826 1.711 16.141 873 HB2 MET 22 2HB MET 22 2.671 -0.390 15.241 874 HB3 MET 22 1HB MET 22 0.973 -0.824 15.181 875 HG2 MET 22 2HG MET 22 1.724 0.068 13.062 876 HG3 MET 22 1HG MET 22 0.509 1.112 13.791 877 HE1 MET 22 3HE MET 22 3.019 3.395 11.724 878 HE2 MET 22 1HE MET 22 1.368 2.779 11.810 879 HE3 MET 22 2HE MET 22 2.693 1.695 11.387 880 H THR 23 H THR 23 -1.052 1.071 16.926 881 HA THR 23 HA THR 23 -1.060 -1.058 18.960 882 HB THR 23 HB THR 23 -1.429 1.169 19.944 883 HG1 THR 23 1HG THR 23 -2.549 -0.170 21.182 884 HG21 THR 23 3HG2 THR 23 -3.836 1.284 18.129 885 HG22 THR 23 1HG2 THR 23 -2.406 2.313 18.044 886 HG23 THR 23 2HG2 THR 23 -3.488 2.418 19.433 887 H ASP 24 H ASP 24 -3.756 -1.350 19.288 888 HA ASP 24 HA ASP 24 -4.429 -3.206 17.338 889 HB2 ASP 24 2HB ASP 24 -5.420 -3.309 19.517 890 HB3 ASP 24 1HB ASP 24 -6.152 -1.720 19.323 891 H THR 25 H THR 25 -5.488 0.159 17.653 892 HA THR 25 HA THR 25 -7.411 0.083 15.591 893 HB THR 25 HB THR 25 -5.894 2.520 16.527 894 HG1 THR 25 1HG THR 25 -7.303 2.608 18.244 895 HG21 THR 25 3HG2 THR 25 -7.355 2.853 14.580 896 HG22 THR 25 1HG2 THR 25 -7.982 3.689 16.002 897 HG23 THR 25 2HG2 THR 25 -8.708 2.168 15.479 898 H ALA 26 H ALA 26 -3.959 0.644 15.596 899 HA ALA 26 HA ALA 26 -3.747 1.916 13.083 900 HB1 ALA 26 3HB ALA 26 -1.374 1.410 13.224 901 HB2 ALA 26 1HB ALA 26 -1.679 0.259 14.527 902 HB3 ALA 26 2HB ALA 26 -1.979 1.979 14.780 903 H ALA 27 H ALA 27 -4.235 -1.366 13.996 904 HA ALA 27 HA ALA 27 -3.138 -2.648 11.733 905 HB1 ALA 27 3HB ALA 27 -5.393 -3.574 13.508 906 HB2 ALA 27 1HB ALA 27 -3.675 -3.843 13.798 907 HB3 ALA 27 2HB ALA 27 -4.460 -4.581 12.401 908 H GLU 28 H GLU 28 -6.176 -1.007 12.271 909 HA GLU 28 HA GLU 28 -7.455 -2.195 9.985 910 HB2 GLU 28 2HB GLU 28 -8.722 -1.400 11.978 911 HB3 GLU 28 1HB GLU 28 -8.302 0.251 11.543 912 HG2 GLU 28 2HG GLU 28 -9.499 0.028 9.443 913 HG3 GLU 28 1HG GLU 28 -9.874 -1.652 9.818 914 H ASP 29 H ASP 29 -5.772 0.808 10.700 915 HA ASP 29 HA ASP 29 -6.364 2.157 8.292 916 HB2 ASP 29 2HB ASP 29 -5.482 3.397 10.147 917 HB3 ASP 29 1HB ASP 29 -4.039 2.391 10.208 918 H VAL 30 H VAL 30 -3.493 0.300 9.259 919 HA VAL 30 HA VAL 30 -2.180 0.485 6.782 920 HB VAL 30 HB VAL 30 -1.869 -1.625 8.923 921 HG11 VAL 30 1HG1 VAL 30 0.333 -2.035 7.990 922 HG12 VAL 30 2HG1 VAL 30 0.039 -0.842 6.724 923 HG13 VAL 30 3HG1 VAL 30 -0.912 -2.327 6.775 924 HG21 VAL 30 3HG2 VAL 30 -0.392 0.965 8.473 925 HG22 VAL 30 1HG2 VAL 30 0.027 -0.257 9.675 926 HG23 VAL 30 2HG2 VAL 30 -1.505 0.608 9.794 927 H ARG 31 H ARG 31 -4.535 -1.876 7.999 928 HA ARG 31 HA ARG 31 -4.163 -3.633 5.773 929 HE ARG 31 HE ARG 31 -7.926 -5.703 6.675 930 HB2 ARG 31 2HB ARG 31 -5.935 -4.930 6.590 931 HB3 ARG 31 1HB ARG 31 -5.156 -4.282 8.024 932 HG2 ARG 31 2HG ARG 31 -6.910 -2.625 8.266 933 HG3 ARG 31 1HG ARG 31 -7.672 -3.187 6.775 934 HD2 ARG 31 2HD ARG 31 -7.290 -4.786 9.308 935 HD3 ARG 31 1HD ARG 31 -8.807 -4.107 8.721 936 HH11 ARG 31 1HH1 ARG 31 -8.750 -6.166 10.041 937 HH12 ARG 31 2HH1 ARG 31 -9.137 -7.851 9.861 938 HH21 ARG 31 2HH2 ARG 31 -8.991 -8.832 7.756 939 HH22 ARG 31 1HH2 ARG 31 -8.469 -7.882 6.399 940 H LYS 32 H LYS 32 -6.121 -0.811 6.376 941 HA LYS 32 HA LYS 32 -8.020 -1.229 4.322 942 HB2 LYS 32 2HB LYS 32 -8.402 0.359 6.156 943 HB3 LYS 32 1HB LYS 32 -7.090 1.370 5.561 944 HG2 LYS 32 2HG LYS 32 -8.307 1.927 3.592 945 HG3 LYS 32 1HG LYS 32 -9.541 0.719 3.941 946 HD2 LYS 32 2HD LYS 32 -10.223 1.982 5.926 947 HD3 LYS 32 1HD LYS 32 -8.977 3.188 5.588 948 HE2 LYS 32 2HE LYS 32 -10.053 3.809 3.533 949 HE3 LYS 32 1HE LYS 32 -11.212 2.490 3.687 950 HZ1 LYS 32 3HZ LYS 32 -12.163 3.547 5.610 951 HZ2 LYS 32 1HZ LYS 32 -12.144 4.654 4.327 952 HZ3 LYS 32 2HZ LYS 32 -11.002 4.781 5.567 953 H ILE 33 H ILE 33 -4.955 0.578 4.404 954 HA ILE 33 HA ILE 33 -5.132 1.411 1.691 955 HB ILE 33 HB ILE 33 -2.728 1.942 1.854 956 HG12 ILE 33 2HG1 ILE 33 -2.924 0.830 4.659 957 HG13 ILE 33 1HG1 ILE 33 -2.107 0.028 3.323 958 HG21 ILE 33 1HG2 ILE 33 -4.369 2.828 4.222 959 HG22 ILE 33 2HG2 ILE 33 -4.385 3.549 2.612 960 HG23 ILE 33 3HG2 ILE 33 -2.930 3.643 3.607 961 HD11 ILE 33 3HD1 ILE 33 -0.546 1.907 3.170 962 HD12 ILE 33 1HD1 ILE 33 -0.518 1.142 4.760 963 HD13 ILE 33 2HD1 ILE 33 -1.357 2.677 4.533 964 H ALA 34 H ALA 34 -3.802 -1.431 3.273 965 HA ALA 34 HA ALA 34 -2.449 -2.478 1.008 966 HB1 ALA 34 3HB ALA 34 -3.572 -3.960 3.385 967 HB2 ALA 34 1HB ALA 34 -1.975 -3.214 3.306 968 HB3 ALA 34 2HB ALA 34 -2.372 -4.566 2.245 969 H THR 35 H THR 35 -5.739 -2.739 2.200 970 HA THR 35 HA THR 35 -6.531 -4.708 0.278 971 HB THR 35 HB THR 35 -8.308 -2.856 1.888 972 HG1 THR 35 1HG THR 35 -6.917 -4.105 3.236 973 HG21 THR 35 3HG2 THR 35 -9.990 -4.608 1.594 974 HG22 THR 35 1HG2 THR 35 -8.859 -5.546 0.621 975 HG23 THR 35 2HG2 THR 35 -9.447 -3.988 0.034 976 H ALA 36 H ALA 36 -6.404 -1.229 0.414 977 HA ALA 36 HA ALA 36 -8.234 -0.601 -1.618 978 HB1 ALA 36 3HB ALA 36 -7.351 1.047 -0.041 979 HB2 ALA 36 1HB ALA 36 -7.131 1.560 -1.715 980 HB3 ALA 36 2HB ALA 36 -5.765 0.917 -0.803 981 H LEU 37 H LEU 37 -4.737 -1.275 -1.779 982 HA LEU 37 HA LEU 37 -4.541 -0.708 -4.543 983 HG LEU 37 HG LEU 37 -3.298 -2.712 -1.717 984 HB2 LEU 37 2HB LEU 37 -2.366 -1.861 -4.416 985 HB3 LEU 37 1HB LEU 37 -2.571 -0.637 -3.183 986 HD11 LEU 37 1HD1 LEU 37 -3.171 -4.339 -3.541 987 HD12 LEU 37 2HD1 LEU 37 -2.019 -4.712 -2.259 988 HD13 LEU 37 3HD1 LEU 37 -1.460 -3.965 -3.755 989 HD21 LEU 37 3HD2 LEU 37 -1.441 -1.197 -1.255 990 HD22 LEU 37 1HD2 LEU 37 -0.432 -2.076 -2.403 991 HD23 LEU 37 2HD2 LEU 37 -0.996 -2.872 -0.934 992 H LEU 38 H LEU 38 -5.439 -3.538 -2.736 993 HA LEU 38 HA LEU 38 -5.363 -5.321 -4.997 994 HG LEU 38 HG LEU 38 -7.341 -7.403 -3.996 995 HB2 LEU 38 2HB LEU 38 -5.029 -6.027 -2.622 996 HB3 LEU 38 1HB LEU 38 -6.721 -5.683 -2.326 997 HD11 LEU 38 1HD1 LEU 38 -5.657 -8.967 -4.801 998 HD12 LEU 38 2HD1 LEU 38 -4.388 -8.010 -4.033 999 HD13 LEU 38 3HD1 LEU 38 -5.324 -7.330 -5.363 1000 HD21 LEU 38 3HD2 LEU 38 -6.752 -9.336 -2.624 1001 HD22 LEU 38 1HD2 LEU 38 -7.245 -7.966 -1.629 1002 HD23 LEU 38 2HD2 LEU 38 -5.536 -8.374 -1.783 1003 H LYS 39 H LYS 39 -7.622 -3.181 -3.522 1004 HA LYS 39 HA LYS 39 -10.069 -4.226 -4.295 1005 HB2 LYS 39 2HB LYS 39 -9.596 -2.241 -2.793 1006 HB3 LYS 39 1HB LYS 39 -9.390 -1.288 -4.253 1007 HG2 LYS 39 2HG LYS 39 -11.581 -0.894 -3.494 1008 HG3 LYS 39 1HG LYS 39 -11.728 -1.960 -4.889 1009 HD2 LYS 39 2HD LYS 39 -11.569 -3.159 -2.165 1010 HD3 LYS 39 1HD LYS 39 -13.078 -2.417 -2.681 1011 HE2 LYS 39 2HE LYS 39 -13.099 -3.876 -4.662 1012 HE3 LYS 39 1HE LYS 39 -11.608 -4.632 -4.105 1013 HZ1 LYS 39 3HZ LYS 39 -13.724 -5.844 -3.567 1014 HZ2 LYS 39 1HZ LYS 39 -14.091 -4.599 -2.483 1015 HZ3 LYS 39 2HZ LYS 39 -12.706 -5.549 -2.247 1016 H THR 40 H THR 40 -7.806 -2.235 -6.137 1017 HA THR 40 HA THR 40 -9.470 -2.754 -8.495 1018 HB THR 40 HB THR 40 -9.429 -0.418 -8.280 1019 HG1 THR 40 1HG THR 40 -8.866 -1.231 -10.395 1020 HG21 THR 40 3HG2 THR 40 -7.640 0.956 -7.709 1021 HG22 THR 40 1HG2 THR 40 -6.439 -0.262 -8.136 1022 HG23 THR 40 2HG2 THR 40 -7.410 -0.456 -6.679 1023 H ALA 41 H ALA 41 -6.022 -1.907 -8.059 1024 HA ALA 41 HA ALA 41 -4.093 -2.958 -8.532 1025 HB1 ALA 41 3HB ALA 41 -5.048 -4.802 -7.249 1026 HB2 ALA 41 1HB ALA 41 -3.996 -5.372 -8.545 1027 HB3 ALA 41 2HB ALA 41 -5.748 -5.463 -8.727 1028 H ILE 42 H ILE 42 -6.709 -3.878 -10.744 1029 HA ILE 42 HA ILE 42 -4.692 -4.088 -12.899 1030 HB ILE 42 HB ILE 42 -7.278 -5.618 -12.928 1031 HG12 ILE 42 2HG1 ILE 42 -6.082 -6.249 -10.847 1032 HG13 ILE 42 1HG1 ILE 42 -6.165 -7.572 -12.001 1033 HG21 ILE 42 1HG2 ILE 42 -4.614 -6.023 -14.270 1034 HG22 ILE 42 2HG2 ILE 42 -6.102 -5.444 -15.022 1035 HG23 ILE 42 3HG2 ILE 42 -6.002 -7.101 -14.426 1036 HD11 ILE 42 3HD1 ILE 42 -3.992 -7.454 -10.924 1037 HD12 ILE 42 1HD1 ILE 42 -3.777 -5.810 -11.524 1038 HD13 ILE 42 2HD1 ILE 42 -3.862 -7.160 -12.658 1039 H GLU 43 H GLU 43 -4.994 -2.061 -13.861 1040 HA GLU 43 HA GLU 43 -7.683 -1.682 -15.018 1041 HB2 GLU 43 2HB GLU 43 -7.164 0.675 -15.333 1042 HB3 GLU 43 1HB GLU 43 -6.980 0.231 -13.646 1043 HG2 GLU 43 2HG GLU 43 -4.662 0.394 -15.540 1044 HG3 GLU 43 1HG GLU 43 -5.249 1.778 -14.620 1045 H ILE 44 H ILE 44 -7.262 -0.208 -17.227 1046 HA ILE 44 HA ILE 44 -5.605 -2.038 -18.815 1047 HB ILE 44 HB ILE 44 -7.061 -1.441 -20.709 1048 HG12 ILE 44 2HG1 ILE 44 -8.778 -0.077 -18.636 1049 HG13 ILE 44 1HG1 ILE 44 -7.827 0.753 -19.863 1050 HG21 ILE 44 1HG2 ILE 44 -8.995 -2.765 -19.993 1051 HG22 ILE 44 2HG2 ILE 44 -8.473 -2.585 -18.318 1052 HG23 ILE 44 3HG2 ILE 44 -7.466 -3.470 -19.463 1053 HD11 ILE 44 3HD1 ILE 44 -9.167 -0.296 -21.612 1054 HD12 ILE 44 1HD1 ILE 44 -10.168 0.629 -20.493 1055 HD13 ILE 44 2HD1 ILE 44 -10.119 -1.130 -20.383 1056 H VAL 45 H VAL 45 -4.114 -1.299 -20.213 1057 HA VAL 45 HA VAL 45 -4.003 1.597 -20.749 1058 HB VAL 45 HB VAL 45 -1.664 1.125 -21.593 1059 HG11 VAL 45 1HG1 VAL 45 -2.218 0.617 -18.674 1060 HG12 VAL 45 2HG1 VAL 45 -2.074 2.194 -19.448 1061 HG13 VAL 45 3HG1 VAL 45 -0.672 1.129 -19.352 1062 HG21 VAL 45 3HG2 VAL 45 -1.903 -1.310 -21.849 1063 HG22 VAL 45 1HG2 VAL 45 -2.028 -1.470 -20.099 1064 HG23 VAL 45 2HG2 VAL 45 -0.532 -0.883 -20.826 1065 H SER 46 H SER 46 -4.232 2.290 -22.831 1066 HA SER 46 HA SER 46 -5.409 0.298 -24.584 1067 HG SER 46 HG SER 46 -7.292 3.347 -24.006 1068 HB2 SER 46 2HB SER 46 -5.258 3.284 -25.006 1069 HB3 SER 46 1HB SER 46 -6.360 2.144 -25.777 1070 H GLU 47 H GLU 47 -4.625 -0.400 -26.449 1071 HA GLU 47 HA GLU 47 -1.974 0.233 -27.324 1072 HB2 GLU 47 2HB GLU 47 -4.241 -1.367 -28.511 1073 HB3 GLU 47 1HB GLU 47 -2.726 -1.123 -29.365 1074 HG2 GLU 47 2HG GLU 47 -2.720 -2.244 -26.599 1075 HG3 GLU 47 1HG GLU 47 -3.090 -3.276 -27.980 1076 H GLU 48 H GLU 48 -1.425 1.248 -29.370 1077 HA GLU 48 HA GLU 48 -3.117 3.535 -29.849 1078 HB2 GLU 48 2HB GLU 48 -0.551 3.540 -29.762 1079 HB3 GLU 48 1HB GLU 48 -0.616 2.858 -31.382 1080 HG2 GLU 48 2HG GLU 48 -1.891 4.809 -32.137 1081 HG3 GLU 48 1HG GLU 48 -1.776 5.495 -30.518 1082 H ASP 49 H ASP 49 -2.126 0.630 -31.546 1083 HA ASP 49 HA ASP 49 -3.414 1.247 -34.005 1084 HB2 ASP 49 2HB ASP 49 -1.678 -0.453 -33.941 1085 HB3 ASP 49 1HB ASP 49 -2.627 -1.426 -32.822 1086 H GLY 50 H GLY 50 -4.403 -0.707 -31.197 1087 HA2 GLY 50 2HA GLY 50 -6.956 0.034 -30.903 1088 HA3 GLY 50 1HA GLY 50 -7.072 -1.015 -32.308 1089 H GLY 51 H GLY 51 -6.533 -0.844 -28.888 1090 HA2 GLY 51 2HA GLY 51 -7.615 -3.289 -28.257 1091 HA3 GLY 51 1HA GLY 51 -5.887 -3.569 -28.455 1092 H ALA 52 H ALA 52 -6.432 -4.124 -26.070 1093 HA ALA 52 HA ALA 52 -5.446 -1.904 -24.490 1094 HB1 ALA 52 3HB ALA 52 -8.045 -3.250 -23.759 1095 HB2 ALA 52 1HB ALA 52 -7.870 -1.608 -24.378 1096 HB3 ALA 52 2HB ALA 52 -7.194 -2.033 -22.805 1097 H HIS 53 H HIS 53 -4.235 -2.523 -22.785 1098 HA HIS 53 HA HIS 53 -4.033 -5.414 -22.294 1099 HD1 HIS 53 1HD HIS 53 -1.414 -6.805 -22.665 1100 HD2 HIS 53 2HD HIS 53 -1.363 -3.097 -24.548 1101 HE1 HIS 53 1HE HIS 53 -0.308 -7.187 -24.892 1102 HE2 HIS 53 2HE HIS 53 -0.376 -4.947 -26.051 1103 HB2 HIS 53 2HB HIS 53 -2.060 -3.178 -21.895 1104 HB3 HIS 53 1HB HIS 53 -1.862 -4.737 -21.104 1105 H ASN 54 H ASN 54 -5.204 -6.036 -20.623 1106 HA ASN 54 HA ASN 54 -5.515 -4.251 -18.326 1107 HB2 ASN 54 2HB ASN 54 -7.497 -5.455 -19.362 1108 HB3 ASN 54 1HB ASN 54 -6.793 -6.958 -18.782 1109 HD21 ASN 54 2HD2 ASN 54 -7.685 -4.450 -15.711 1110 HD22 ASN 54 1HD2 ASN 54 -6.601 -3.971 -16.972 1111 H GLN 55 H GLN 55 -3.833 -4.383 -16.953 1112 HA GLN 55 HA GLN 55 -2.960 -6.948 -15.974 1113 HB2 GLN 55 2HB GLN 55 -0.636 -6.684 -16.646 1114 HB3 GLN 55 1HB GLN 55 -1.672 -6.745 -18.060 1115 HG2 GLN 55 2HG GLN 55 -1.564 -4.246 -18.138 1116 HG3 GLN 55 1HG GLN 55 -0.360 -4.321 -16.851 1117 HE21 GLN 55 2HE2 GLN 55 2.262 -5.350 -18.928 1118 HE22 GLN 55 1HE2 GLN 55 1.688 -5.158 -17.301 1119 H CYS 56 H CYS 56 -1.518 -6.771 -14.172 1120 HA CYS 56 HA CYS 56 -1.876 -4.405 -12.599 1121 HG CYS 56 HG CYS 56 -1.211 -4.472 -9.894 1122 HB2 CYS 56 2HB CYS 56 -1.717 -6.666 -11.581 1123 HB3 CYS 56 1HB CYS 56 -0.049 -6.781 -12.133 1124 H LYS 57 H LYS 57 -0.618 -2.658 -12.622 1125 HA LYS 57 HA LYS 57 1.257 -2.329 -14.677 1126 HB2 LYS 57 2HB LYS 57 0.790 -0.592 -12.260 1127 HB3 LYS 57 1HB LYS 57 1.625 -0.107 -13.730 1128 HG2 LYS 57 2HG LYS 57 -1.263 -0.927 -13.531 1129 HG3 LYS 57 1HG LYS 57 -0.659 0.721 -13.692 1130 HD2 LYS 57 2HD LYS 57 0.333 0.126 -15.865 1131 HD3 LYS 57 1HD LYS 57 -0.322 -1.506 -15.701 1132 HE2 LYS 57 2HE LYS 57 -1.695 -0.006 -17.134 1133 HE3 LYS 57 1HE LYS 57 -2.568 -0.678 -15.757 1134 HZ1 LYS 57 3HZ LYS 57 -1.310 2.010 -15.723 1135 HZ2 LYS 57 1HZ LYS 57 -2.408 1.363 -14.606 1136 HZ3 LYS 57 2HZ LYS 57 -2.920 1.749 -16.172 1137 H LEU 58 H LEU 58 1.729 -3.651 -11.576 1138 HA LEU 58 HA LEU 58 4.555 -3.051 -11.501 1139 HG LEU 58 HG LEU 58 3.950 -2.243 -9.228 1140 HB2 LEU 58 2HB LEU 58 2.908 -4.987 -9.862 1141 HB3 LEU 58 1HB LEU 58 4.620 -4.704 -9.628 1142 HD11 LEU 58 1HD1 LEU 58 1.703 -1.923 -8.331 1143 HD12 LEU 58 2HD1 LEU 58 1.291 -3.584 -8.759 1144 HD13 LEU 58 3HD1 LEU 58 1.652 -2.412 -10.025 1145 HD21 LEU 58 3HD2 LEU 58 3.528 -2.708 -6.865 1146 HD22 LEU 58 1HD2 LEU 58 4.811 -3.732 -7.509 1147 HD23 LEU 58 2HD2 LEU 58 3.198 -4.397 -7.258 1148 H CYS 59 H CYS 59 3.852 -6.310 -10.784 1149 HA CYS 59 HA CYS 59 4.334 -7.309 -13.470 1150 HG CYS 59 HG CYS 59 6.444 -5.581 -13.389 1151 HB2 CYS 59 2HB CYS 59 6.205 -7.958 -11.172 1152 HB3 CYS 59 1HB CYS 59 6.237 -8.718 -12.758 1153 H GLY 60 H GLY 60 2.384 -7.326 -11.088 1154 HA2 GLY 60 2HA GLY 60 2.540 -10.067 -10.151 1155 HA3 GLY 60 1HA GLY 60 1.458 -8.824 -9.553 1156 H ALA 61 H ALA 61 0.875 -8.456 -12.658 1157 HA ALA 61 HA ALA 61 -0.597 -10.872 -13.198 1158 HB1 ALA 61 3HB ALA 61 -2.803 -9.861 -13.286 1159 HB2 ALA 61 1HB ALA 61 -2.137 -8.321 -12.737 1160 HB3 ALA 61 2HB ALA 61 -2.120 -9.721 -11.667 1161 H SER 62 H SER 62 -0.571 -11.227 -15.312 1162 HA SER 62 HA SER 62 -1.062 -8.971 -17.112 1163 HG SER 62 HG SER 62 0.810 -8.963 -19.308 1164 HB2 SER 62 2HB SER 62 1.342 -9.345 -17.289 1165 HB3 SER 62 1HB SER 62 1.082 -11.073 -17.529 1166 H VAL 63 H VAL 63 -2.753 -9.406 -18.360 1167 HA VAL 63 HA VAL 63 -3.303 -12.135 -19.204 1168 HB VAL 63 HB VAL 63 -4.497 -11.940 -17.068 1169 HG11 VAL 63 1HG1 VAL 63 -5.951 -9.625 -18.333 1170 HG12 VAL 63 2HG1 VAL 63 -4.809 -9.534 -16.992 1171 HG13 VAL 63 3HG1 VAL 63 -6.346 -10.373 -16.785 1172 HG21 VAL 63 3HG2 VAL 63 -6.771 -12.492 -17.853 1173 HG22 VAL 63 1HG2 VAL 63 -5.508 -13.333 -18.753 1174 HG23 VAL 63 2HG2 VAL 63 -6.320 -11.940 -19.466 1175 HA PRO 64 HA PRO 64 -4.523 -9.907 -22.897 1176 HB2 PRO 64 1HB PRO 64 -4.771 -11.573 -24.434 1177 HB3 PRO 64 2HB PRO 64 -6.071 -12.340 -23.520 1178 HG2 PRO 64 2HG PRO 64 -4.399 -13.889 -23.136 1179 HG3 PRO 64 1HG PRO 64 -3.116 -12.670 -23.271 1180 HD2 PRO 64 2HD PRO 64 -4.900 -13.299 -20.951 1181 HD3 PRO 64 1HD PRO 64 -3.173 -12.886 -20.965 1182 H TRP 65 H TRP 65 -6.275 -8.679 -23.414 1183 HA TRP 65 HA TRP 65 -8.451 -8.568 -21.591 1184 HD1 TRP 65 HD TRP 65 -6.084 -7.799 -24.956 1185 HE1 TRP 65 1HE TRP 65 -6.507 -7.317 -27.454 1186 HE3 TRP 65 3HE TRP 65 -10.856 -6.007 -24.615 1187 HZ2 TRP 65 2HZ TRP 65 -8.597 -6.299 -29.051 1188 HZ3 TRP 65 3HZ TRP 65 -11.999 -5.299 -26.676 1189 HH2 TRP 65 HH TRP 65 -10.890 -5.440 -28.851 1190 HB2 TRP 65 2HB TRP 65 -9.277 -6.741 -22.978 1191 HB3 TRP 65 1HB TRP 65 -7.546 -6.574 -22.723 1192 H LEU 66 H LEU 66 -7.872 -10.477 -24.280 1193 HA LEU 66 HA LEU 66 -10.689 -10.923 -24.881 1194 HG LEU 66 HG LEU 66 -8.422 -9.764 -26.693 1195 HB2 LEU 66 2HB LEU 66 -8.192 -12.144 -26.076 1196 HB3 LEU 66 1HB LEU 66 -9.828 -12.436 -26.634 1197 HD11 LEU 66 1HD1 LEU 66 -8.365 -10.086 -29.114 1198 HD12 LEU 66 2HD1 LEU 66 -9.061 -11.695 -28.920 1199 HD13 LEU 66 3HD1 LEU 66 -7.456 -11.345 -28.277 1200 HD21 LEU 66 3HD2 LEU 66 -10.324 -9.024 -28.017 1201 HD22 LEU 66 1HD2 LEU 66 -10.850 -9.577 -26.428 1202 HD23 LEU 66 2HD2 LEU 66 -11.081 -10.607 -27.840 1203 H GLN 67 H GLN 67 -9.323 -11.659 -22.300 1204 HA GLN 67 HA GLN 67 -10.323 -14.395 -22.178 1205 HB2 GLN 67 2HB GLN 67 -7.769 -14.323 -22.577 1206 HB3 GLN 67 1HB GLN 67 -7.673 -13.726 -20.927 1207 HG2 GLN 67 2HG GLN 67 -8.989 -15.781 -20.256 1208 HG3 GLN 67 1HG GLN 67 -8.680 -16.383 -21.882 1209 HE21 GLN 67 2HE2 GLN 67 -5.289 -15.735 -19.714 1210 HE22 GLN 67 1HE2 GLN 67 -6.464 -14.486 -19.918 1211 H THR 68 H THR 68 -10.616 -15.103 -19.912 1212 HA THR 68 HA THR 68 -11.596 -12.966 -18.270 1213 HB THR 68 HB THR 68 -12.787 -15.115 -18.365 1214 HG1 THR 68 1HG THR 68 -12.506 -15.463 -15.858 1215 HG21 THR 68 3HG2 THR 68 -11.884 -17.093 -17.244 1216 HG22 THR 68 1HG2 THR 68 -10.365 -16.244 -16.959 1217 HG23 THR 68 2HG2 THR 68 -10.873 -16.614 -18.608 1218 H GLY 69 H GLY 69 -10.825 -12.331 -16.252 1219 HA2 GLY 69 2HA GLY 69 -8.216 -13.409 -15.416 1220 HA3 GLY 69 1HA GLY 69 -8.433 -11.670 -15.586 1221 H ASP 70 H ASP 70 -8.808 -14.366 -13.540 1222 HA ASP 70 HA ASP 70 -10.025 -12.664 -11.492 1223 HB2 ASP 70 2HB ASP 70 -11.816 -14.001 -12.733 1224 HB3 ASP 70 1HB ASP 70 -11.091 -15.438 -12.021 1225 H GLU 71 H GLU 71 -8.871 -15.942 -12.194 1226 HA GLU 71 HA GLU 71 -7.803 -16.138 -9.470 1227 HB2 GLU 71 2HB GLU 71 -7.464 -18.614 -10.380 1228 HB3 GLU 71 1HB GLU 71 -9.003 -18.065 -9.736 1229 HG2 GLU 71 2HG GLU 71 -9.240 -19.355 -11.806 1230 HG3 GLU 71 1HG GLU 71 -9.859 -17.713 -11.958 1231 H ILE 72 H ILE 72 -6.553 -14.624 -11.682 1232 HA ILE 72 HA ILE 72 -4.353 -16.064 -12.717 1233 HB ILE 72 HB ILE 72 -5.131 -14.073 -13.836 1234 HG12 ILE 72 2HG1 ILE 72 -2.369 -13.602 -12.695 1235 HG13 ILE 72 1HG1 ILE 72 -2.740 -14.669 -14.045 1236 HG21 ILE 72 1HG2 ILE 72 -4.284 -12.559 -11.369 1237 HG22 ILE 72 2HG2 ILE 72 -5.938 -12.813 -11.928 1238 HG23 ILE 72 3HG2 ILE 72 -4.825 -11.831 -12.880 1239 HD11 ILE 72 3HD1 ILE 72 -1.853 -12.544 -14.807 1240 HD12 ILE 72 1HD1 ILE 72 -3.158 -11.692 -13.983 1241 HD13 ILE 72 2HD1 ILE 72 -3.520 -12.759 -15.339 1242 H LYS 73 H LYS 73 -2.367 -16.450 -11.943 1243 HA LYS 73 HA LYS 73 -1.863 -16.083 -9.161 1244 HB2 LYS 73 2HB LYS 73 -0.246 -17.191 -11.439 1245 HB3 LYS 73 1HB LYS 73 0.458 -16.985 -9.841 1246 HG2 LYS 73 2HG LYS 73 -2.012 -18.602 -10.425 1247 HG3 LYS 73 1HG LYS 73 -0.384 -19.265 -10.257 1248 HD2 LYS 73 2HD LYS 73 -0.270 -18.399 -7.969 1249 HD3 LYS 73 1HD LYS 73 -1.896 -17.735 -8.140 1250 HE2 LYS 73 2HE LYS 73 -2.780 -19.987 -8.474 1251 HE3 LYS 73 1HE LYS 73 -1.155 -20.652 -8.324 1252 HZ1 LYS 73 3HZ LYS 73 -2.544 -19.126 -6.187 1253 HZ2 LYS 73 1HZ LYS 73 -1.053 -19.927 -6.057 1254 HZ3 LYS 73 2HZ LYS 73 -2.484 -20.816 -6.272 1255 H HIS 74 H HIS 74 0.049 -15.052 -8.263 1256 HA HIS 74 HA HIS 74 0.654 -12.574 -9.725 1257 HD1 HIS 74 1HD HIS 74 -1.289 -11.077 -9.747 1258 HD2 HIS 74 2HD HIS 74 -2.413 -12.882 -6.177 1259 HE1 HIS 74 1HE HIS 74 -3.797 -10.901 -9.660 1260 HE2 HIS 74 2HE HIS 74 -4.462 -12.236 -7.625 1261 HB2 HIS 74 2HB HIS 74 0.225 -12.864 -6.743 1262 HB3 HIS 74 1HB HIS 74 0.619 -11.373 -7.593 1263 H ALA 75 H ALA 75 2.680 -11.786 -9.638 1264 HA ALA 75 HA ALA 75 4.782 -13.616 -9.263 1265 HB1 ALA 75 3HB ALA 75 4.839 -11.811 -10.916 1266 HB2 ALA 75 1HB ALA 75 6.245 -11.770 -9.853 1267 HB3 ALA 75 2HB ALA 75 4.923 -10.625 -9.615 1268 H ASP 76 H ASP 76 6.363 -13.751 -7.776 1269 HA ASP 76 HA ASP 76 5.759 -12.877 -5.096 1270 HB2 ASP 76 2HB ASP 76 6.727 -15.125 -5.758 1271 HB3 ASP 76 1HB ASP 76 8.234 -14.292 -6.102 1272 H ASP 77 H ASP 77 7.235 -11.535 -7.697 1273 HA ASP 77 HA ASP 77 9.467 -10.197 -6.520 1274 HB2 ASP 77 2HB ASP 77 7.971 -9.476 -9.049 1275 HB3 ASP 77 1HB ASP 77 9.612 -9.006 -8.622 1276 H CYS 78 H CYS 78 6.154 -9.713 -6.321 1277 HA CYS 78 HA CYS 78 6.380 -6.809 -6.044 1278 HG CYS 78 HG CYS 78 5.820 -7.913 -8.610 1279 HB2 CYS 78 2HB CYS 78 3.927 -8.574 -6.188 1280 HB3 CYS 78 1HB CYS 78 3.921 -6.814 -6.132 1281 HA PRO 79 HA PRO 79 6.275 -7.005 -1.626 1282 HB2 PRO 79 1HB PRO 79 6.471 -4.812 -1.054 1283 HB3 PRO 79 2HB PRO 79 4.851 -4.432 -1.647 1284 HG2 PRO 79 2HG PRO 79 6.080 -3.357 -3.278 1285 HG3 PRO 79 1HG PRO 79 7.449 -4.474 -3.113 1286 HD2 PRO 79 2HD PRO 79 4.859 -4.854 -4.574 1287 HD3 PRO 79 1HD PRO 79 6.508 -5.287 -5.075 1288 H VAL 80 H VAL 80 3.577 -7.314 -3.494 1289 HA VAL 80 HA VAL 80 1.429 -6.922 -1.733 1290 HB VAL 80 HB VAL 80 1.640 -9.020 -3.907 1291 HG11 VAL 80 1HG1 VAL 80 -0.253 -9.356 -2.393 1292 HG12 VAL 80 2HG1 VAL 80 -0.789 -8.870 -4.002 1293 HG13 VAL 80 3HG1 VAL 80 -0.780 -7.698 -2.684 1294 HG21 VAL 80 3HG2 VAL 80 0.712 -6.151 -4.064 1295 HG22 VAL 80 1HG2 VAL 80 0.596 -7.335 -5.366 1296 HG23 VAL 80 2HG2 VAL 80 2.178 -6.815 -4.784 1297 H VAL 81 H VAL 81 3.732 -9.519 -2.100 1298 HA VAL 81 HA VAL 81 2.599 -11.571 -0.637 1299 HB VAL 81 HB VAL 81 5.503 -10.720 -0.546 1300 HG11 VAL 81 1HG1 VAL 81 5.954 -13.089 -0.105 1301 HG12 VAL 81 2HG1 VAL 81 4.221 -13.408 -0.064 1302 HG13 VAL 81 3HG1 VAL 81 4.956 -12.370 1.159 1303 HG21 VAL 81 3HG2 VAL 81 4.105 -12.560 -2.483 1304 HG22 VAL 81 1HG2 VAL 81 5.841 -12.257 -2.418 1305 HG23 VAL 81 2HG2 VAL 81 4.734 -10.952 -2.849 1306 H ILE 82 H ILE 82 4.424 -8.778 0.528 1307 HA ILE 82 HA ILE 82 4.447 -9.494 3.261 1308 HB ILE 82 HB ILE 82 4.554 -6.679 2.169 1309 HG12 ILE 82 2HG1 ILE 82 6.135 -8.010 0.895 1310 HG13 ILE 82 1HG1 ILE 82 7.014 -7.002 2.039 1311 HG21 ILE 82 1HG2 ILE 82 5.929 -6.234 4.121 1312 HG22 ILE 82 2HG2 ILE 82 5.810 -7.923 4.611 1313 HG23 ILE 82 3HG2 ILE 82 4.370 -6.904 4.605 1314 HD11 ILE 82 3HD1 ILE 82 7.278 -8.915 3.523 1315 HD12 ILE 82 1HD1 ILE 82 7.951 -9.229 1.923 1316 HD13 ILE 82 2HD1 ILE 82 6.395 -9.925 2.376 1317 H ALA 83 H ALA 83 2.322 -7.443 1.318 1318 HA ALA 83 HA ALA 83 0.711 -6.438 3.362 1319 HB1 ALA 83 3HB ALA 83 -0.927 -5.957 1.637 1320 HB2 ALA 83 1HB ALA 83 -0.111 -7.060 0.526 1321 HB3 ALA 83 2HB ALA 83 0.697 -5.585 1.060 1322 H LYS 84 H LYS 84 0.380 -9.395 1.430 1323 HA LYS 84 HA LYS 84 -2.065 -10.342 2.337 1324 HB2 LYS 84 2HB LYS 84 0.431 -11.951 1.763 1325 HB3 LYS 84 1HB LYS 84 -1.196 -12.600 1.855 1326 HG2 LYS 84 2HG LYS 84 -1.858 -11.505 -0.113 1327 HG3 LYS 84 1HG LYS 84 -0.422 -10.480 -0.113 1328 HD2 LYS 84 2HD LYS 84 -0.016 -12.117 -1.749 1329 HD3 LYS 84 1HD LYS 84 0.927 -12.615 -0.353 1330 HE2 LYS 84 2HE LYS 84 -1.830 -13.692 -0.848 1331 HE3 LYS 84 1HE LYS 84 -0.418 -14.404 -1.619 1332 HZ1 LYS 84 3HZ LYS 84 0.522 -14.690 0.661 1333 HZ2 LYS 84 1HZ LYS 84 -0.859 -15.624 0.347 1334 HZ3 LYS 84 2HZ LYS 84 -0.985 -14.224 1.292 1335 H GLN 85 H GLN 85 1.146 -11.003 3.657 1336 HA GLN 85 HA GLN 85 0.263 -12.548 5.833 1337 HB2 GLN 85 2HB GLN 85 2.793 -11.283 4.986 1338 HB3 GLN 85 1HB GLN 85 2.651 -11.632 6.699 1339 HG2 GLN 85 2HG GLN 85 3.731 -13.461 5.559 1340 HG3 GLN 85 1HG GLN 85 2.161 -13.975 6.172 1341 HE21 GLN 85 2HE2 GLN 85 2.974 -13.989 2.204 1342 HE22 GLN 85 1HE2 GLN 85 4.075 -13.318 3.366 1343 H ILE 86 H ILE 86 0.921 -9.079 5.541 1344 HA ILE 86 HA ILE 86 0.695 -8.498 8.301 1345 HB ILE 86 HB ILE 86 0.312 -6.705 5.900 1346 HG12 ILE 86 2HG1 ILE 86 2.623 -7.029 7.831 1347 HG13 ILE 86 1HG1 ILE 86 2.575 -7.639 6.175 1348 HG21 ILE 86 1HG2 ILE 86 0.484 -5.976 8.823 1349 HG22 ILE 86 2HG2 ILE 86 -0.903 -5.753 7.757 1350 HG23 ILE 86 3HG2 ILE 86 0.572 -4.826 7.487 1351 HD11 ILE 86 3HD1 ILE 86 2.469 -4.740 6.992 1352 HD12 ILE 86 1HD1 ILE 86 2.447 -5.358 5.341 1353 HD13 ILE 86 2HD1 ILE 86 3.876 -5.589 6.348 1354 H LEU 87 H LEU 87 -1.704 -8.225 5.657 1355 HA LEU 87 HA LEU 87 -3.661 -7.080 7.380 1356 HG LEU 87 HG LEU 87 -3.014 -8.892 4.202 1357 HB2 LEU 87 2HB LEU 87 -5.207 -7.297 5.486 1358 HB3 LEU 87 1HB LEU 87 -3.698 -6.530 5.044 1359 HD11 LEU 87 1HD1 LEU 87 -6.016 -9.164 4.178 1360 HD12 LEU 87 2HD1 LEU 87 -4.901 -10.113 5.161 1361 HD13 LEU 87 3HD1 LEU 87 -4.865 -10.253 3.403 1362 HD21 LEU 87 3HD2 LEU 87 -4.018 -8.407 2.021 1363 HD22 LEU 87 1HD2 LEU 87 -3.341 -6.961 2.771 1364 HD23 LEU 87 2HD2 LEU 87 -5.085 -7.227 2.781 1365 H SER 88 H SER 88 -2.719 -10.312 6.858 1366 HA SER 88 HA SER 88 -5.228 -11.547 7.340 1367 HG SER 88 HG SER 88 -2.946 -12.154 5.490 1368 HB2 SER 88 2HB SER 88 -2.407 -12.595 7.631 1369 HB3 SER 88 1HB SER 88 -3.856 -13.583 7.773 1370 H SER 89 H SER 89 -2.422 -10.854 9.395 1371 HA SER 89 HA SER 89 -2.025 -10.987 11.608 1372 HG SER 89 HG SER 89 -5.393 -10.562 11.013 1373 HB2 SER 89 2HB SER 89 -3.694 -9.951 13.095 1374 HB3 SER 89 1HB SER 89 -3.432 -9.002 11.637 1375 H ARG 90 H ARG 90 -3.117 -11.782 13.849 1376 HA ARG 90 HA ARG 90 -3.620 -13.608 15.100 1377 HE ARG 90 HE ARG 90 -7.924 -16.518 16.068 1378 HB2 ARG 90 2HB ARG 90 -5.854 -13.026 13.963 1379 HB3 ARG 90 1HB ARG 90 -5.542 -14.406 12.923 1380 HG2 ARG 90 2HG ARG 90 -5.658 -15.916 14.741 1381 HG3 ARG 90 1HG ARG 90 -5.618 -14.600 15.919 1382 HD2 ARG 90 2HD ARG 90 -7.769 -13.781 14.969 1383 HD3 ARG 90 1HD ARG 90 -7.827 -15.227 13.964 1384 HH11 ARG 90 1HH1 ARG 90 -8.755 -13.120 16.137 1385 HH12 ARG 90 2HH1 ARG 90 -9.802 -13.258 17.514 1386 HH21 ARG 90 2HH2 ARG 90 -10.148 -15.332 18.481 1387 HH22 ARG 90 1HH2 ARG 90 -9.324 -16.729 17.856 1388 HA PRO 91 HA PRO 91 -0.650 -15.981 12.597 1389 HB2 PRO 91 1HB PRO 91 1.233 -15.839 13.840 1390 HB3 PRO 91 2HB PRO 91 0.510 -16.744 15.172 1391 HG2 PRO 91 2HG PRO 91 0.582 -14.676 16.185 1392 HG3 PRO 91 1HG PRO 91 0.495 -13.815 14.637 1393 HD2 PRO 91 2HD PRO 91 -1.713 -15.059 16.242 1394 HD3 PRO 91 1HD PRO 91 -1.683 -13.504 15.384 1395 H LYS 92 H LYS 92 -2.568 -17.400 12.226 1396 HA LYS 92 HA LYS 92 -1.768 -20.074 12.974 1397 HB2 LYS 92 2HB LYS 92 -4.401 -18.902 13.803 1398 HB3 LYS 92 1HB LYS 92 -4.330 -20.591 13.331 1399 HG2 LYS 92 2HG LYS 92 -2.548 -20.907 15.061 1400 HG3 LYS 92 1HG LYS 92 -2.876 -19.258 15.602 1401 HD2 LYS 92 2HD LYS 92 -5.127 -19.830 16.178 1402 HD3 LYS 92 1HD LYS 92 -4.971 -21.423 15.434 1403 HE2 LYS 92 2HE LYS 92 -3.230 -21.987 17.092 1404 HE3 LYS 92 1HE LYS 92 -3.490 -20.422 17.863 1405 HZ1 LYS 92 3HZ LYS 92 -5.547 -22.547 17.551 1406 HZ2 LYS 92 1HZ LYS 92 -5.761 -21.058 18.334 1407 HZ3 LYS 92 2HZ LYS 92 -4.695 -22.212 18.978 1408 H LEU 93 H LEU 93 -3.471 -21.629 11.778 1409 HA LEU 93 HA LEU 93 -3.504 -20.878 9.021 1410 HG LEU 93 HG LEU 93 -2.397 -23.071 8.623 1411 HB2 LEU 93 2HB LEU 93 -4.743 -23.195 10.517 1412 HB3 LEU 93 1HB LEU 93 -4.929 -22.978 8.788 1413 HD11 LEU 93 1HD1 LEU 93 -1.201 -24.148 10.449 1414 HD12 LEU 93 2HD1 LEU 93 -2.663 -24.121 11.435 1415 HD13 LEU 93 3HD1 LEU 93 -1.890 -22.609 10.967 1416 HD21 LEU 93 3HD2 LEU 93 -3.845 -24.933 7.997 1417 HD22 LEU 93 1HD2 LEU 93 -3.842 -25.503 9.665 1418 HD23 LEU 93 2HD2 LEU 93 -2.346 -25.507 8.730 1419 H HIS 94 H HIS 94 -4.930 -19.554 8.128 1420 HA HIS 94 HA HIS 94 -6.892 -18.246 9.546 1421 HD1 HIS 94 1HD HIS 94 -4.595 -18.541 5.813 1422 HD2 HIS 94 2HD HIS 94 -8.667 -19.357 5.491 1423 HE1 HIS 94 1HE HIS 94 -4.878 -19.781 3.642 1424 HE2 HIS 94 2HE HIS 94 -7.367 -20.102 3.382 1425 HB2 HIS 94 2HB HIS 94 -7.761 -17.424 7.378 1426 HB3 HIS 94 1HB HIS 94 -6.016 -17.287 7.514 1427 H ALA 95 H ALA 95 -8.837 -18.673 10.213 1428 HA ALA 95 HA ALA 95 -9.985 -21.258 9.506 1429 HB1 ALA 95 3HB ALA 95 -10.695 -19.381 11.756 1430 HB2 ALA 95 1HB ALA 95 -9.605 -20.764 11.878 1431 HB3 ALA 95 2HB ALA 95 -11.315 -21.015 11.526 1432 H VAL 96 H VAL 96 -12.540 -21.106 9.929 1433 HA VAL 96 HA VAL 96 -13.531 -19.543 7.709 1434 HB VAL 96 HB VAL 96 -15.040 -21.425 9.539 1435 HG11 VAL 96 1HG1 VAL 96 -16.481 -19.874 8.316 1436 HG12 VAL 96 2HG1 VAL 96 -16.677 -21.523 7.721 1437 HG13 VAL 96 3HG1 VAL 96 -15.726 -20.358 6.799 1438 HG21 VAL 96 3HG2 VAL 96 -13.767 -21.983 6.865 1439 HG22 VAL 96 1HG2 VAL 96 -14.758 -23.105 7.796 1440 HG23 VAL 96 2HG2 VAL 96 -13.197 -22.575 8.425 Start of MODEL 6 1 HA MET 1 HA MET 1 -1.112 1.899 -25.912 2 H1 MET 1 1H MET 1 0.240 3.636 -26.963 3 H2 MET 1 2H MET 1 1.641 2.762 -26.578 4 H3 MET 1 3H MET 1 0.650 3.364 -25.340 5 HB2 MET 1 2HB MET 1 0.722 1.065 -28.167 6 HB3 MET 1 1HB MET 1 -0.702 0.154 -27.684 7 HG2 MET 1 2HG MET 1 -2.116 2.060 -28.218 8 HG3 MET 1 1HG MET 1 -0.693 2.993 -28.673 9 HE1 MET 1 3HE MET 1 -2.502 2.299 -32.097 10 HE2 MET 1 1HE MET 1 -1.914 3.536 -30.986 11 HE3 MET 1 2HE MET 1 -3.293 2.531 -30.539 12 H GLY 2 H GLY 2 2.136 0.574 -26.610 13 HA2 GLY 2 2HA GLY 2 1.656 -1.369 -24.453 14 HA3 GLY 2 1HA GLY 2 2.774 -1.586 -25.791 15 H SER 3 H SER 3 3.128 -1.744 -22.842 16 HA SER 3 HA SER 3 5.673 -0.383 -22.787 17 HG SER 3 HG SER 3 3.204 -0.273 -19.979 18 HB2 SER 3 2HB SER 3 5.127 0.654 -20.519 19 HB3 SER 3 1HB SER 3 4.379 1.423 -21.919 20 H SER 4 H SER 4 4.086 -3.075 -22.431 21 HA SER 4 HA SER 4 4.810 -3.812 -19.728 22 HG SER 4 HG SER 4 3.724 -5.696 -22.647 23 HB2 SER 4 2HB SER 4 3.576 -5.953 -20.396 24 HB3 SER 4 1HB SER 4 2.625 -4.468 -20.333 25 H HIS 5 H HIS 5 6.987 -4.134 -19.658 26 HA HIS 5 HA HIS 5 8.029 -6.346 -21.296 27 HD1 HIS 5 1HD HIS 5 11.700 -5.332 -18.855 28 HD2 HIS 5 2HD HIS 5 10.512 -6.817 -22.556 29 HE1 HIS 5 1HE HIS 5 13.530 -6.898 -19.580 30 HE2 HIS 5 2HE HIS 5 12.686 -7.938 -21.710 31 HB2 HIS 5 2HB HIS 5 9.389 -4.270 -21.335 32 HB3 HIS 5 1HB HIS 5 9.554 -4.354 -19.585 33 H HIS 6 H HIS 6 7.260 -8.107 -20.238 34 HA HIS 6 HA HIS 6 6.924 -8.124 -17.401 35 HD1 HIS 6 1HD HIS 6 7.041 -12.477 -18.114 36 HD2 HIS 6 2HD HIS 6 6.778 -10.070 -21.498 37 HE1 HIS 6 1HE HIS 6 7.819 -13.907 -20.030 38 HE2 HIS 6 2HE HIS 6 7.509 -12.484 -22.088 39 HB2 HIS 6 2HB HIS 6 5.934 -10.277 -17.652 40 HB3 HIS 6 1HB HIS 6 5.422 -9.323 -19.037 41 H HIS 7 H HIS 7 8.037 -9.174 -15.842 42 HA HIS 7 HA HIS 7 10.168 -10.993 -16.428 43 HD1 HIS 7 1HD HIS 7 11.801 -8.457 -13.232 44 HD2 HIS 7 2HD HIS 7 9.985 -6.452 -16.390 45 HE1 HIS 7 1HE HIS 7 11.292 -6.152 -12.368 46 HE2 HIS 7 2HE HIS 7 10.412 -4.892 -14.370 47 HB2 HIS 7 2HB HIS 7 12.000 -9.675 -15.470 48 HB3 HIS 7 1HB HIS 7 11.347 -8.884 -16.897 49 H HIS 8 H HIS 8 11.499 -11.221 -14.188 50 HA HIS 8 HA HIS 8 9.424 -11.396 -12.104 51 HD1 HIS 8 1HD HIS 8 10.533 -13.977 -14.928 52 HD2 HIS 8 2HD HIS 8 8.277 -14.472 -11.465 53 HE1 HIS 8 1HE HIS 8 8.590 -15.440 -15.580 54 HE2 HIS 8 2HE HIS 8 7.340 -15.866 -13.430 55 HB2 HIS 8 2HB HIS 8 11.730 -13.249 -12.717 56 HB3 HIS 8 1HB HIS 8 10.793 -13.336 -11.229 57 H HIS 9 H HIS 9 10.909 -12.009 -9.950 58 HA HIS 9 HA HIS 9 12.985 -9.959 -9.696 59 HD1 HIS 9 1HD HIS 9 12.328 -7.059 -7.961 60 HD2 HIS 9 2HD HIS 9 9.266 -8.839 -10.147 61 HE1 HIS 9 1HE HIS 9 11.191 -5.183 -9.193 62 HE2 HIS 9 2HE HIS 9 9.212 -6.257 -10.330 63 HB2 HIS 9 2HB HIS 9 10.532 -10.256 -7.964 64 HB3 HIS 9 1HB HIS 9 11.992 -9.479 -7.368 65 H HIS 10 H HIS 10 12.734 -10.639 -6.686 66 HA HIS 10 HA HIS 10 14.653 -12.813 -6.824 67 HD1 HIS 10 1HD HIS 10 14.004 -8.945 -4.640 68 HD2 HIS 10 2HD HIS 10 17.148 -11.208 -6.174 69 HE1 HIS 10 1HE HIS 10 15.792 -7.290 -5.281 70 HE2 HIS 10 2HE HIS 10 17.729 -8.680 -6.087 71 HB2 HIS 10 2HB HIS 10 13.617 -11.361 -4.378 72 HB3 HIS 10 1HB HIS 10 15.034 -12.399 -4.461 73 H SER 11 H SER 11 11.663 -12.132 -5.027 74 HA SER 11 HA SER 11 10.011 -13.441 -4.202 75 HG SER 11 HG SER 11 8.801 -14.593 -7.035 76 HB2 SER 11 2HB SER 11 11.041 -15.461 -6.208 77 HB3 SER 11 1HB SER 11 9.526 -15.607 -5.317 78 H SER 12 H SER 12 9.640 -15.833 -3.278 79 HA SER 12 HA SER 12 10.174 -17.423 -1.753 80 HG SER 12 HG SER 12 12.521 -17.735 -4.218 81 HB2 SER 12 2HB SER 12 13.063 -16.788 -2.419 82 HB3 SER 12 1HB SER 12 12.499 -18.188 -1.505 83 H GLY 13 H GLY 13 11.525 -17.705 0.387 84 HA2 GLY 13 2HA GLY 13 12.783 -16.478 2.097 85 HA3 GLY 13 1HA GLY 13 11.859 -15.050 1.651 86 H ARG 14 H ARG 14 9.376 -15.562 1.729 87 HA ARG 14 HA ARG 14 7.521 -15.959 2.977 88 HE ARG 14 HE ARG 14 7.952 -20.576 0.841 89 HB2 ARG 14 2HB ARG 14 9.148 -18.152 4.279 90 HB3 ARG 14 1HB ARG 14 7.408 -17.951 4.403 91 HG2 ARG 14 2HG ARG 14 7.203 -18.339 1.990 92 HG3 ARG 14 1HG ARG 14 8.950 -18.579 1.895 93 HD2 ARG 14 2HD ARG 14 8.717 -20.435 3.537 94 HD3 ARG 14 1HD ARG 14 6.967 -20.240 3.440 95 HH11 ARG 14 1HH1 ARG 14 7.544 -22.405 3.807 96 HH12 ARG 14 2HH1 ARG 14 7.483 -23.939 2.993 97 HH21 ARG 14 2HH2 ARG 14 7.690 -24.042 0.695 98 HH22 ARG 14 1HH2 ARG 14 7.859 -22.574 -0.221 99 H GLU 15 H GLU 15 9.386 -13.972 3.833 100 HA GLU 15 HA GLU 15 9.700 -14.028 6.649 101 HB2 GLU 15 2HB GLU 15 9.563 -11.717 4.710 102 HB3 GLU 15 1HB GLU 15 9.863 -11.509 6.426 103 HG2 GLU 15 2HG GLU 15 11.970 -11.435 5.467 104 HG3 GLU 15 1HG GLU 15 11.848 -13.078 6.089 105 H ASN 16 H ASN 16 8.294 -13.639 8.246 106 HA ASN 16 HA ASN 16 5.726 -12.397 7.536 107 HB2 ASN 16 2HB ASN 16 4.671 -13.725 9.349 108 HB3 ASN 16 1HB ASN 16 5.316 -14.728 8.058 109 HD21 ASN 16 2HD2 ASN 16 6.703 -15.055 11.852 110 HD22 ASN 16 1HD2 ASN 16 5.563 -13.837 11.388 111 H LEU 17 H LEU 17 5.395 -10.511 8.465 112 HA LEU 17 HA LEU 17 6.599 -9.970 11.087 113 HG LEU 17 HG LEU 17 8.484 -9.656 8.670 114 HB2 LEU 17 2HB LEU 17 6.546 -8.121 8.695 115 HB3 LEU 17 1HB LEU 17 6.979 -7.619 10.317 116 HD11 LEU 17 1HD1 LEU 17 10.207 -7.932 8.495 117 HD12 LEU 17 2HD1 LEU 17 9.160 -6.794 9.342 118 HD13 LEU 17 3HD1 LEU 17 8.694 -7.407 7.755 119 HD21 LEU 17 3HD2 LEU 17 9.131 -8.400 11.336 120 HD22 LEU 17 1HD2 LEU 17 10.183 -9.482 10.419 121 HD23 LEU 17 2HD2 LEU 17 8.654 -10.075 11.064 122 H TYR 18 H TYR 18 5.239 -9.033 12.499 123 HA TYR 18 HA TYR 18 2.621 -8.155 11.483 124 HD1 TYR 18 1HD TYR 18 1.283 -10.196 10.887 125 HD2 TYR 18 2HD TYR 18 0.518 -9.018 14.901 126 HE1 TYR 18 1HE TYR 18 -1.132 -10.383 10.475 127 HE2 TYR 18 2HE TYR 18 -1.903 -9.206 14.501 128 HH TYR 18 HH TYR 18 -3.170 -10.624 11.598 129 HB2 TYR 18 2HB TYR 18 3.001 -10.440 12.912 130 HB3 TYR 18 1HB TYR 18 2.712 -9.288 14.210 131 H PHE 19 H PHE 19 1.453 -6.788 13.133 132 HA PHE 19 HA PHE 19 3.023 -4.511 13.657 133 HD1 PHE 19 2HD PHE 19 -0.467 -6.019 12.429 134 HD2 PHE 19 1HD PHE 19 1.302 -2.178 12.898 135 HE1 PHE 19 2HE PHE 19 -1.257 -5.382 10.187 136 HE2 PHE 19 1HE PHE 19 0.511 -1.536 10.662 137 HZ PHE 19 HZ PHE 19 -0.769 -3.137 9.303 138 HB2 PHE 19 2HB PHE 19 0.240 -5.225 14.598 139 HB3 PHE 19 1HB PHE 19 0.977 -3.637 14.790 140 H GLN 20 H GLN 20 2.401 -7.296 15.559 141 HA GLN 20 HA GLN 20 3.104 -6.018 18.054 142 HB2 GLN 20 2HB GLN 20 2.838 -8.965 17.413 143 HB3 GLN 20 1HB GLN 20 2.938 -8.254 19.020 144 HG2 GLN 20 2HG GLN 20 0.833 -6.995 18.473 145 HG3 GLN 20 1HG GLN 20 0.710 -7.991 17.025 146 HE21 GLN 20 2HE2 GLN 20 -0.235 -9.462 20.681 147 HE22 GLN 20 1HE2 GLN 20 0.507 -7.915 20.473 148 H GLY 21 H GLY 21 5.116 -5.207 17.925 149 HA2 GLY 21 2HA GLY 21 7.457 -5.883 18.406 150 HA3 GLY 21 1HA GLY 21 7.282 -7.028 17.081 151 H MET 22 H MET 22 7.475 -6.354 15.002 152 HA MET 22 HA MET 22 7.960 -5.100 13.204 153 HB2 MET 22 2HB MET 22 6.710 -3.009 14.933 154 HB3 MET 22 1HB MET 22 7.463 -2.563 13.410 155 HG2 MET 22 2HG MET 22 5.245 -4.567 13.735 156 HG3 MET 22 1HG MET 22 5.055 -2.900 13.193 157 HE1 MET 22 3HE MET 22 4.417 -4.820 9.866 158 HE2 MET 22 1HE MET 22 3.838 -3.566 10.963 159 HE3 MET 22 2HE MET 22 3.879 -5.250 11.489 160 H THR 23 H THR 23 9.233 -3.732 16.178 161 HA THR 23 HA THR 23 11.425 -3.346 16.693 162 HB THR 23 HB THR 23 11.942 -4.227 13.850 163 HG1 THR 23 1HG THR 23 12.117 -5.650 16.327 164 HG21 THR 23 3HG2 THR 23 14.229 -4.585 14.560 165 HG22 THR 23 1HG2 THR 23 13.852 -3.933 16.153 166 HG23 THR 23 2HG2 THR 23 13.767 -2.894 14.731 167 H ASP 24 H ASP 24 11.156 -2.382 13.266 168 HA ASP 24 HA ASP 24 11.146 0.411 13.773 169 HB2 ASP 24 2HB ASP 24 13.470 0.069 14.426 170 HB3 ASP 24 1HB ASP 24 13.791 -0.797 12.929 171 H THR 25 H THR 25 11.689 -2.285 11.660 172 HA THR 25 HA THR 25 11.853 -0.925 9.200 173 HB THR 25 HB THR 25 10.839 -3.739 9.486 174 HG1 THR 25 1HG THR 25 13.500 -2.772 9.886 175 HG21 THR 25 3HG2 THR 25 12.207 -4.117 7.502 176 HG22 THR 25 1HG2 THR 25 12.781 -2.449 7.560 177 HG23 THR 25 2HG2 THR 25 11.084 -2.787 7.222 178 H ALA 26 H ALA 26 9.218 -1.259 11.220 179 HA ALA 26 HA ALA 26 7.059 -1.814 9.566 180 HB1 ALA 26 3HB ALA 26 5.699 -0.575 11.175 181 HB2 ALA 26 1HB ALA 26 7.160 0.126 11.872 182 HB3 ALA 26 2HB ALA 26 6.873 -1.608 11.993 183 H ALA 27 H ALA 27 8.854 1.179 9.990 184 HA ALA 27 HA ALA 27 7.014 2.774 8.484 185 HB1 ALA 27 3HB ALA 27 8.463 3.784 10.171 186 HB2 ALA 27 1HB ALA 27 8.743 4.506 8.587 187 HB3 ALA 27 2HB ALA 27 9.887 3.328 9.232 188 H GLU 28 H GLU 28 9.713 0.755 7.747 189 HA GLU 28 HA GLU 28 10.383 1.898 5.227 190 HB2 GLU 28 2HB GLU 28 11.671 0.230 6.855 191 HB3 GLU 28 1HB GLU 28 10.906 -0.981 5.837 192 HG2 GLU 28 2HG GLU 28 12.705 1.234 4.873 193 HG3 GLU 28 1HG GLU 28 13.185 -0.442 5.124 194 H ASP 29 H ASP 29 8.614 -1.055 6.160 195 HA ASP 29 HA ASP 29 8.046 -1.814 3.498 196 HB2 ASP 29 2HB ASP 29 7.019 -2.734 6.158 197 HB3 ASP 29 1HB ASP 29 6.293 -3.328 4.667 198 H VAL 30 H VAL 30 6.377 0.328 5.678 199 HA VAL 30 HA VAL 30 3.902 0.316 4.282 200 HB VAL 30 HB VAL 30 5.114 2.440 6.059 201 HG11 VAL 30 1HG1 VAL 30 3.510 3.454 4.519 202 HG12 VAL 30 2HG1 VAL 30 2.867 3.409 6.161 203 HG13 VAL 30 3HG1 VAL 30 2.308 2.243 4.961 204 HG21 VAL 30 3HG2 VAL 30 2.975 0.365 6.539 205 HG22 VAL 30 1HG2 VAL 30 3.487 1.598 7.693 206 HG23 VAL 30 2HG2 VAL 30 4.616 0.342 7.187 207 H ARG 31 H ARG 31 6.783 2.416 4.017 208 HA ARG 31 HA ARG 31 5.789 3.974 1.850 209 HE ARG 31 HE ARG 31 10.078 3.160 3.569 210 HB2 ARG 31 2HB ARG 31 8.692 3.260 2.235 211 HB3 ARG 31 1HB ARG 31 8.021 4.721 1.531 212 HG2 ARG 31 2HG ARG 31 7.357 5.537 3.665 213 HG3 ARG 31 1HG ARG 31 7.741 3.992 4.434 214 HD2 ARG 31 2HD ARG 31 9.632 6.002 3.242 215 HD3 ARG 31 1HD ARG 31 9.564 5.421 4.907 216 HH11 ARG 31 1HH1 ARG 31 11.576 6.333 3.397 217 HH12 ARG 31 2HH1 ARG 31 13.106 5.705 2.862 218 HH21 ARG 31 2HH2 ARG 31 13.391 3.462 2.545 219 HH22 ARG 31 1HH2 ARG 31 12.075 2.349 2.831 220 H LYS 32 H LYS 32 7.548 1.021 2.185 221 HA LYS 32 HA LYS 32 8.350 0.387 -0.364 222 HB2 LYS 32 2HB LYS 32 8.935 -0.737 1.726 223 HB3 LYS 32 1HB LYS 32 7.305 -1.360 1.860 224 HG2 LYS 32 2HG LYS 32 7.647 -2.841 0.028 225 HG3 LYS 32 1HG LYS 32 9.217 -2.097 -0.338 226 HD2 LYS 32 2HD LYS 32 10.155 -2.837 1.692 227 HD3 LYS 32 1HD LYS 32 8.581 -3.261 2.355 228 HE2 LYS 32 2HE LYS 32 8.421 -5.067 0.669 229 HE3 LYS 32 1HE LYS 32 10.064 -4.675 0.150 230 HZ1 LYS 32 3HZ LYS 32 10.847 -5.134 2.386 231 HZ2 LYS 32 1HZ LYS 32 10.054 -6.494 1.752 232 HZ3 LYS 32 2HZ LYS 32 9.272 -5.504 2.897 233 H ILE 33 H ILE 33 5.227 -0.472 1.188 234 HA ILE 33 HA ILE 33 4.197 -1.638 -1.208 235 HB ILE 33 HB ILE 33 1.999 -1.643 -0.058 236 HG12 ILE 33 2HG1 ILE 33 3.534 -0.366 2.217 237 HG13 ILE 33 1HG1 ILE 33 2.249 0.392 1.285 238 HG21 ILE 33 1HG2 ILE 33 4.278 -2.715 1.591 239 HG22 ILE 33 2HG2 ILE 33 3.583 -3.491 0.168 240 HG23 ILE 33 3HG2 ILE 33 2.608 -3.284 1.624 241 HD11 ILE 33 3HD1 ILE 33 1.447 -0.376 3.446 242 HD12 ILE 33 1HD1 ILE 33 1.943 -2.024 3.053 243 HD13 ILE 33 2HD1 ILE 33 0.656 -1.244 2.129 244 H ALA 34 H ALA 34 4.046 1.551 0.227 245 HA ALA 34 HA ALA 34 2.003 2.597 -1.432 246 HB1 ALA 34 3HB ALA 34 2.668 3.655 0.676 247 HB2 ALA 34 1HB ALA 34 2.754 4.785 -0.676 248 HB3 ALA 34 2HB ALA 34 4.230 4.069 -0.028 249 H THR 35 H THR 35 5.454 2.229 -1.820 250 HA THR 35 HA THR 35 5.922 4.011 -3.904 251 HB THR 35 HB THR 35 7.263 1.341 -3.410 252 HG1 THR 35 1HG THR 35 7.363 2.820 -1.630 253 HG21 THR 35 3HG2 THR 35 8.234 3.759 -4.948 254 HG22 THR 35 1HG2 THR 35 7.753 2.215 -5.654 255 HG23 THR 35 2HG2 THR 35 9.173 2.306 -4.611 256 H ALA 36 H ALA 36 4.438 0.838 -3.949 257 HA ALA 36 HA ALA 36 4.651 0.294 -6.700 258 HB1 ALA 36 3HB ALA 36 3.986 -1.401 -5.084 259 HB2 ALA 36 1HB ALA 36 2.781 -1.249 -6.359 260 HB3 ALA 36 2HB ALA 36 2.482 -0.537 -4.774 261 H LEU 37 H LEU 37 2.152 2.021 -4.847 262 HA LEU 37 HA LEU 37 0.564 2.459 -7.194 263 HG LEU 37 HG LEU 37 1.310 3.661 -3.805 264 HB2 LEU 37 2HB LEU 37 -0.924 3.705 -5.728 265 HB3 LEU 37 1HB LEU 37 -0.533 2.139 -5.063 266 HD11 LEU 37 1HD1 LEU 37 0.182 5.712 -3.047 267 HD12 LEU 37 2HD1 LEU 37 -1.105 5.414 -4.216 268 HD13 LEU 37 3HD1 LEU 37 0.537 5.736 -4.774 269 HD21 LEU 37 3HD2 LEU 37 -0.186 3.589 -1.878 270 HD22 LEU 37 1HD2 LEU 37 -0.222 2.069 -2.771 271 HD23 LEU 37 2HD2 LEU 37 -1.545 3.224 -2.942 272 H LEU 38 H LEU 38 3.077 4.157 -5.510 273 HA LEU 38 HA LEU 38 2.668 6.665 -6.824 274 HG LEU 38 HG LEU 38 3.589 8.207 -5.219 275 HB2 LEU 38 2HB LEU 38 4.797 5.439 -5.172 276 HB3 LEU 38 1HB LEU 38 5.306 6.707 -6.271 277 HD11 LEU 38 1HD1 LEU 38 2.689 7.586 -3.045 278 HD12 LEU 38 2HD1 LEU 38 3.409 5.983 -3.195 279 HD13 LEU 38 3HD1 LEU 38 2.130 6.482 -4.303 280 HD21 LEU 38 3HD2 LEU 38 4.917 8.628 -3.203 281 HD22 LEU 38 1HD2 LEU 38 5.938 8.344 -4.612 282 HD23 LEU 38 2HD2 LEU 38 5.719 7.071 -3.411 283 H LYS 39 H LYS 39 4.169 3.659 -7.688 284 HA LYS 39 HA LYS 39 5.630 4.822 -9.904 285 HB2 LYS 39 2HB LYS 39 5.513 2.162 -8.594 286 HB3 LYS 39 1HB LYS 39 5.959 2.197 -10.296 287 HG2 LYS 39 2HG LYS 39 7.328 3.775 -8.126 288 HG3 LYS 39 1HG LYS 39 7.896 2.232 -8.770 289 HD2 LYS 39 2HD LYS 39 8.081 3.230 -10.997 290 HD3 LYS 39 1HD LYS 39 7.499 4.767 -10.360 291 HE2 LYS 39 2HE LYS 39 9.445 4.914 -8.904 292 HE3 LYS 39 1HE LYS 39 10.021 3.356 -9.497 293 HZ1 LYS 39 3HZ LYS 39 10.293 4.277 -11.680 294 HZ2 LYS 39 1HZ LYS 39 11.107 5.268 -10.575 295 HZ3 LYS 39 2HZ LYS 39 9.611 5.754 -11.203 296 H THR 40 H THR 40 2.808 2.749 -9.397 297 HA THR 40 HA THR 40 2.077 3.249 -12.191 298 HB THR 40 HB THR 40 1.119 0.884 -12.241 299 HG1 THR 40 1HG THR 40 2.816 0.725 -9.961 300 HG21 THR 40 3HG2 THR 40 3.256 -0.111 -12.920 301 HG22 THR 40 1HG2 THR 40 4.118 1.216 -12.142 302 HG23 THR 40 2HG2 THR 40 3.089 1.533 -13.537 303 H ALA 41 H ALA 41 0.461 1.120 -9.945 304 HA ALA 41 HA ALA 41 -1.601 1.085 -9.009 305 HB1 ALA 41 3HB ALA 41 -2.549 3.109 -8.100 306 HB2 ALA 41 1HB ALA 41 -1.463 4.091 -9.081 307 HB3 ALA 41 2HB ALA 41 -0.812 3.074 -7.797 308 H ILE 42 H ILE 42 -1.690 3.855 -11.202 309 HA ILE 42 HA ILE 42 -4.393 3.749 -11.843 310 HB ILE 42 HB ILE 42 -2.138 4.755 -13.585 311 HG12 ILE 42 2HG1 ILE 42 -3.721 6.238 -11.479 312 HG13 ILE 42 1HG1 ILE 42 -2.097 5.605 -11.235 313 HG21 ILE 42 1HG2 ILE 42 -4.271 4.630 -14.759 314 HG22 ILE 42 2HG2 ILE 42 -3.804 6.306 -14.473 315 HG23 ILE 42 3HG2 ILE 42 -5.042 5.553 -13.469 316 HD11 ILE 42 3HD1 ILE 42 -2.053 7.978 -11.708 317 HD12 ILE 42 1HD1 ILE 42 -2.899 7.706 -13.231 318 HD13 ILE 42 2HD1 ILE 42 -1.268 7.073 -13.003 319 H GLU 43 H GLU 43 -5.570 2.367 -12.992 320 HA GLU 43 HA GLU 43 -4.183 0.483 -14.775 321 HB2 GLU 43 2HB GLU 43 -6.166 -0.959 -14.523 322 HB3 GLU 43 1HB GLU 43 -5.417 -0.597 -12.977 323 HG2 GLU 43 2HG GLU 43 -7.701 1.069 -13.924 324 HG3 GLU 43 1HG GLU 43 -8.005 -0.531 -13.250 325 H ILE 44 H ILE 44 -5.454 -0.274 -16.668 326 HA ILE 44 HA ILE 44 -7.067 1.911 -17.795 327 HB ILE 44 HB ILE 44 -4.874 2.041 -18.812 328 HG12 ILE 44 2HG1 ILE 44 -7.051 2.275 -20.205 329 HG13 ILE 44 1HG1 ILE 44 -5.501 2.212 -21.036 330 HG21 ILE 44 1HG2 ILE 44 -4.082 -0.198 -18.434 331 HG22 ILE 44 2HG2 ILE 44 -3.924 0.222 -20.140 332 HG23 ILE 44 3HG2 ILE 44 -5.233 -0.834 -19.609 333 HD11 ILE 44 3HD1 ILE 44 -7.449 -0.068 -20.736 334 HD12 ILE 44 1HD1 ILE 44 -5.887 -0.149 -21.551 335 HD13 ILE 44 2HD1 ILE 44 -7.162 0.884 -22.193 336 H VAL 45 H VAL 45 -9.039 1.255 -18.187 337 HA VAL 45 HA VAL 45 -9.615 -1.581 -18.252 338 HB VAL 45 HB VAL 45 -12.013 -0.876 -18.306 339 HG11 VAL 45 1HG1 VAL 45 -10.900 -1.368 -16.195 340 HG12 VAL 45 2HG1 VAL 45 -12.058 -0.053 -15.990 341 HG13 VAL 45 3HG1 VAL 45 -10.333 0.298 -16.089 342 HG21 VAL 45 3HG2 VAL 45 -10.856 1.901 -18.020 343 HG22 VAL 45 1HG2 VAL 45 -12.557 1.476 -17.840 344 HG23 VAL 45 2HG2 VAL 45 -11.763 1.290 -19.404 345 H SER 46 H SER 46 -9.818 -2.717 -20.023 346 HA SER 46 HA SER 46 -9.974 -1.355 -22.591 347 HG SER 46 HG SER 46 -7.918 -3.470 -21.148 348 HB2 SER 46 2HB SER 46 -9.736 -4.311 -22.096 349 HB3 SER 46 1HB SER 46 -9.370 -3.446 -23.580 350 H GLU 47 H GLU 47 -11.909 -0.893 -23.265 351 HA GLU 47 HA GLU 47 -14.204 -2.531 -22.550 352 HB2 GLU 47 2HB GLU 47 -13.827 0.185 -23.729 353 HB3 GLU 47 1HB GLU 47 -15.328 -0.667 -24.060 354 HG2 GLU 47 2HG GLU 47 -14.270 -0.195 -21.289 355 HG3 GLU 47 1HG GLU 47 -15.385 0.896 -22.113 356 H GLU 48 H GLU 48 -15.371 -3.724 -23.948 357 HA GLU 48 HA GLU 48 -14.129 -4.995 -26.053 358 HB2 GLU 48 2HB GLU 48 -16.104 -5.839 -24.828 359 HB3 GLU 48 1HB GLU 48 -17.097 -4.638 -25.641 360 HG2 GLU 48 2HG GLU 48 -16.511 -5.676 -27.805 361 HG3 GLU 48 1HG GLU 48 -15.629 -6.927 -26.927 362 H ASP 49 H ASP 49 -16.499 -2.375 -26.183 363 HA ASP 49 HA ASP 49 -15.606 -1.838 -28.945 364 HB2 ASP 49 2HB ASP 49 -17.880 -2.751 -28.937 365 HB3 ASP 49 1HB ASP 49 -18.390 -1.495 -27.814 366 H GLY 50 H GLY 50 -16.402 -0.602 -25.815 367 HA2 GLY 50 2HA GLY 50 -16.578 2.148 -26.436 368 HA3 GLY 50 1HA GLY 50 -16.198 1.473 -24.859 369 H GLY 51 H GLY 51 -13.821 0.052 -26.101 370 HA2 GLY 51 2HA GLY 51 -11.753 0.612 -27.060 371 HA3 GLY 51 1HA GLY 51 -12.132 2.311 -26.816 372 H ALA 52 H ALA 52 -9.820 1.927 -26.074 373 HA ALA 52 HA ALA 52 -9.468 0.956 -23.389 374 HB1 ALA 52 3HB ALA 52 -7.185 1.787 -23.604 375 HB2 ALA 52 1HB ALA 52 -7.616 2.616 -25.101 376 HB3 ALA 52 2HB ALA 52 -7.646 0.853 -25.028 377 H HIS 53 H HIS 53 -9.674 2.078 -21.535 378 HA HIS 53 HA HIS 53 -9.686 5.012 -21.655 379 HD1 HIS 53 1HD HIS 53 -12.247 6.674 -21.947 380 HD2 HIS 53 2HD HIS 53 -13.009 2.677 -22.800 381 HE1 HIS 53 1HE HIS 53 -13.647 6.683 -24.029 382 HE2 HIS 53 2HE HIS 53 -13.935 4.252 -24.631 383 HB2 HIS 53 2HB HIS 53 -11.822 3.311 -20.352 384 HB3 HIS 53 1HB HIS 53 -11.614 5.031 -20.039 385 H ASN 54 H ASN 54 -8.898 6.025 -19.817 386 HA ASN 54 HA ASN 54 -7.336 4.235 -18.103 387 HB2 ASN 54 2HB ASN 54 -6.264 6.132 -19.388 388 HB3 ASN 54 1HB ASN 54 -7.124 7.240 -18.327 389 HD21 ASN 54 2HD2 ASN 54 -4.558 4.844 -16.278 390 HD22 ASN 54 1HD2 ASN 54 -5.777 4.167 -17.293 391 H GLN 55 H GLN 55 -7.730 3.975 -15.996 392 HA GLN 55 HA GLN 55 -9.844 5.630 -14.766 393 HB2 GLN 55 2HB GLN 55 -10.668 3.388 -15.322 394 HB3 GLN 55 1HB GLN 55 -9.327 2.663 -14.451 395 HG2 GLN 55 2HG GLN 55 -10.211 3.802 -12.382 396 HG3 GLN 55 1HG GLN 55 -11.651 4.196 -13.321 397 HE21 GLN 55 2HE2 GLN 55 -10.988 0.434 -11.954 398 HE22 GLN 55 1HE2 GLN 55 -9.776 1.664 -11.863 399 H CYS 56 H CYS 56 -9.665 5.934 -12.453 400 HA CYS 56 HA CYS 56 -6.912 5.625 -11.494 401 HG CYS 56 HG CYS 56 -10.475 7.752 -11.481 402 HB2 CYS 56 2HB CYS 56 -7.520 7.332 -9.807 403 HB3 CYS 56 1HB CYS 56 -7.723 7.914 -11.456 404 H LYS 57 H LYS 57 -6.679 5.152 -9.150 405 HA LYS 57 HA LYS 57 -8.480 2.995 -8.411 406 HB2 LYS 57 2HB LYS 57 -5.649 3.643 -7.768 407 HB3 LYS 57 1HB LYS 57 -6.577 2.749 -6.571 408 HG2 LYS 57 2HG LYS 57 -7.056 1.019 -8.194 409 HG3 LYS 57 1HG LYS 57 -6.207 1.929 -9.444 410 HD2 LYS 57 2HD LYS 57 -4.116 1.618 -8.378 411 HD3 LYS 57 1HD LYS 57 -4.878 1.033 -6.896 412 HE2 LYS 57 2HE LYS 57 -3.855 -0.754 -8.301 413 HE3 LYS 57 1HE LYS 57 -5.568 -0.986 -7.964 414 HZ1 LYS 57 3HZ LYS 57 -6.077 -0.094 -10.165 415 HZ2 LYS 57 1HZ LYS 57 -5.075 -1.457 -10.265 416 HZ3 LYS 57 2HZ LYS 57 -4.420 0.088 -10.485 417 H LEU 58 H LEU 58 -10.130 4.331 -7.780 418 HA LEU 58 HA LEU 58 -11.513 5.093 -6.189 419 HG LEU 58 HG LEU 58 -11.793 3.292 -4.582 420 HB2 LEU 58 2HB LEU 58 -9.134 4.702 -4.413 421 HB3 LEU 58 1HB LEU 58 -10.617 5.414 -3.843 422 HD11 LEU 58 1HD1 LEU 58 -10.058 2.422 -6.056 423 HD12 LEU 58 2HD1 LEU 58 -10.441 1.279 -4.770 424 HD13 LEU 58 3HD1 LEU 58 -8.969 2.246 -4.679 425 HD21 LEU 58 3HD2 LEU 58 -11.148 2.082 -2.558 426 HD22 LEU 58 1HD2 LEU 58 -11.360 3.806 -2.255 427 HD23 LEU 58 2HD2 LEU 58 -9.737 3.126 -2.389 428 H CYS 59 H CYS 59 -12.088 6.967 -6.717 429 HA CYS 59 HA CYS 59 -11.319 9.366 -5.657 430 HG CYS 59 HG CYS 59 -11.070 11.717 -7.552 431 HB2 CYS 59 2HB CYS 59 -9.155 9.001 -6.883 432 HB3 CYS 59 1HB CYS 59 -10.059 9.025 -8.392 433 H GLY 60 H GLY 60 -12.501 7.544 -8.369 434 HA2 GLY 60 2HA GLY 60 -14.545 7.702 -9.436 435 HA3 GLY 60 1HA GLY 60 -14.932 9.079 -8.412 436 H ALA 61 H ALA 61 -12.082 8.808 -10.429 437 HA ALA 61 HA ALA 61 -13.161 10.918 -12.175 438 HB1 ALA 61 3HB ALA 61 -10.416 10.892 -10.917 439 HB2 ALA 61 1HB ALA 61 -11.738 11.984 -10.503 440 HB3 ALA 61 2HB ALA 61 -10.991 12.065 -12.100 441 H SER 62 H SER 62 -12.045 11.088 -14.242 442 HA SER 62 HA SER 62 -10.393 8.813 -14.980 443 HG SER 62 HG SER 62 -12.418 7.832 -14.353 444 HB2 SER 62 2HB SER 62 -12.987 9.472 -16.395 445 HB3 SER 62 1HB SER 62 -11.810 8.267 -16.923 446 H VAL 63 H VAL 63 -9.354 9.076 -17.054 447 HA VAL 63 HA VAL 63 -9.390 11.721 -18.253 448 HB VAL 63 HB VAL 63 -7.822 11.982 -16.364 449 HG11 VAL 63 1HG1 VAL 63 -6.263 9.746 -17.649 450 HG12 VAL 63 2HG1 VAL 63 -7.116 9.679 -16.108 451 HG13 VAL 63 3HG1 VAL 63 -5.720 10.739 -16.296 452 HG21 VAL 63 3HG2 VAL 63 -7.390 13.257 -18.393 453 HG22 VAL 63 1HG2 VAL 63 -6.425 11.931 -19.041 454 HG23 VAL 63 2HG2 VAL 63 -5.877 12.804 -17.609 455 HA PRO 64 HA PRO 64 -8.556 9.256 -21.928 456 HB2 PRO 64 1HB PRO 64 -8.146 10.773 -23.615 457 HB3 PRO 64 2HB PRO 64 -6.906 11.627 -22.686 458 HG2 PRO 64 2HG PRO 64 -8.674 13.132 -22.492 459 HG3 PRO 64 1HG PRO 64 -9.892 11.843 -22.523 460 HD2 PRO 64 2HD PRO 64 -8.204 12.806 -20.261 461 HD3 PRO 64 1HD PRO 64 -9.869 12.192 -20.247 462 H TRP 65 H TRP 65 -7.017 7.760 -22.284 463 HA TRP 65 HA TRP 65 -4.767 7.607 -20.584 464 HD1 TRP 65 HD TRP 65 -7.794 5.834 -23.127 465 HE1 TRP 65 1HE TRP 65 -7.846 5.386 -25.659 466 HE3 TRP 65 3HE TRP 65 -2.761 5.695 -24.027 467 HZ2 TRP 65 2HZ TRP 65 -5.995 5.011 -27.761 468 HZ3 TRP 65 3HZ TRP 65 -1.985 5.286 -26.325 469 HH2 TRP 65 HH TRP 65 -3.570 4.951 -28.151 470 HB2 TRP 65 2HB TRP 65 -4.190 5.568 -21.897 471 HB3 TRP 65 1HB TRP 65 -5.846 5.595 -21.314 472 H LEU 66 H LEU 66 -5.189 9.296 -23.417 473 HA LEU 66 HA LEU 66 -2.571 9.191 -24.504 474 HG LEU 66 HG LEU 66 -5.443 9.304 -25.715 475 HB2 LEU 66 2HB LEU 66 -4.650 11.377 -24.651 476 HB3 LEU 66 1HB LEU 66 -3.192 11.314 -25.623 477 HD11 LEU 66 1HD1 LEU 66 -4.633 11.460 -27.663 478 HD12 LEU 66 2HD1 LEU 66 -6.075 11.467 -26.648 479 HD13 LEU 66 3HD1 LEU 66 -5.898 10.258 -27.919 480 HD21 LEU 66 3HD2 LEU 66 -2.979 9.563 -27.434 481 HD22 LEU 66 1HD2 LEU 66 -4.275 8.385 -27.636 482 HD23 LEU 66 2HD2 LEU 66 -3.245 8.326 -26.205 483 H GLN 67 H GLN 67 -4.005 10.847 -21.829 484 HA GLN 67 HA GLN 67 -1.700 12.634 -21.546 485 HB2 GLN 67 2HB GLN 67 -4.358 12.571 -20.103 486 HB3 GLN 67 1HB GLN 67 -3.079 13.735 -19.793 487 HG2 GLN 67 2HG GLN 67 -3.268 14.566 -22.073 488 HG3 GLN 67 1HG GLN 67 -4.530 13.383 -22.402 489 HE21 GLN 67 2HE2 GLN 67 -5.683 16.044 -19.561 490 HE22 GLN 67 1HE2 GLN 67 -4.274 15.060 -19.347 491 H THR 68 H THR 68 -1.630 13.016 -18.843 492 HA THR 68 HA THR 68 -0.454 10.486 -18.000 493 HB THR 68 HB THR 68 0.911 12.561 -17.856 494 HG1 THR 68 1HG THR 68 1.657 12.148 -15.717 495 HG21 THR 68 3HG2 THR 68 -0.882 14.135 -17.264 496 HG22 THR 68 1HG2 THR 68 0.457 14.207 -16.118 497 HG23 THR 68 2HG2 THR 68 -1.030 13.366 -15.683 498 H GLY 69 H GLY 69 -0.638 10.181 -15.480 499 HA2 GLY 69 2HA GLY 69 -3.540 10.103 -14.998 500 HA3 GLY 69 1HA GLY 69 -2.382 8.942 -14.368 501 H ASP 70 H ASP 70 -4.399 10.557 -13.018 502 HA ASP 70 HA ASP 70 -4.651 11.428 -10.939 503 HB2 ASP 70 2HB ASP 70 -2.470 9.974 -10.588 504 HB3 ASP 70 1HB ASP 70 -1.708 11.555 -10.438 505 H GLU 71 H GLU 71 -3.630 12.996 -13.459 506 HA GLU 71 HA GLU 71 -2.544 15.387 -12.298 507 HB2 GLU 71 2HB GLU 71 -2.763 16.349 -14.539 508 HB3 GLU 71 1HB GLU 71 -1.979 14.778 -14.597 509 HG2 GLU 71 2HG GLU 71 -3.829 13.751 -15.560 510 HG3 GLU 71 1HG GLU 71 -4.920 15.051 -15.075 511 H ILE 72 H ILE 72 -5.597 14.062 -12.462 512 HA ILE 72 HA ILE 72 -7.007 16.615 -12.510 513 HB ILE 72 HB ILE 72 -7.947 14.747 -13.802 514 HG12 ILE 72 2HG1 ILE 72 -9.690 15.441 -11.428 515 HG13 ILE 72 1HG1 ILE 72 -9.461 16.458 -12.845 516 HG21 ILE 72 1HG2 ILE 72 -8.901 12.793 -12.679 517 HG22 ILE 72 2HG2 ILE 72 -8.244 13.360 -11.143 518 HG23 ILE 72 3HG2 ILE 72 -7.155 12.897 -12.451 519 HD11 ILE 72 3HD1 ILE 72 -10.687 13.709 -12.835 520 HD12 ILE 72 1HD1 ILE 72 -10.477 14.747 -14.246 521 HD13 ILE 72 2HD1 ILE 72 -11.561 15.239 -12.945 522 H LYS 73 H LYS 73 -8.334 17.304 -10.754 523 HA LYS 73 HA LYS 73 -7.260 17.205 -8.235 524 HB2 LYS 73 2HB LYS 73 -10.025 17.804 -9.215 525 HB3 LYS 73 1HB LYS 73 -9.700 17.769 -7.488 526 HG2 LYS 73 2HG LYS 73 -8.309 19.521 -9.505 527 HG3 LYS 73 1HG LYS 73 -9.569 20.029 -8.375 528 HD2 LYS 73 2HD LYS 73 -8.106 19.358 -6.500 529 HD3 LYS 73 1HD LYS 73 -6.836 18.965 -7.663 530 HE2 LYS 73 2HE LYS 73 -6.402 21.147 -6.780 531 HE3 LYS 73 1HE LYS 73 -6.922 21.320 -8.455 532 HZ1 LYS 73 3HZ LYS 73 -8.650 21.712 -6.068 533 HZ2 LYS 73 1HZ LYS 73 -9.126 21.919 -7.685 534 HZ3 LYS 73 2HZ LYS 73 -7.968 22.952 -7.000 535 H HIS 74 H HIS 74 -7.319 15.948 -6.522 536 HA HIS 74 HA HIS 74 -8.488 13.298 -6.768 537 HD1 HIS 74 1HD HIS 74 -6.167 11.445 -3.868 538 HD2 HIS 74 2HD HIS 74 -6.231 12.377 -7.908 539 HE1 HIS 74 1HE HIS 74 -5.249 9.424 -5.039 540 HE2 HIS 74 2HE HIS 74 -4.985 10.165 -7.434 541 HB2 HIS 74 2HB HIS 74 -6.178 14.436 -5.519 542 HB3 HIS 74 1HB HIS 74 -7.154 13.655 -4.280 543 H ALA 75 H ALA 75 -9.178 12.420 -4.455 544 HA ALA 75 HA ALA 75 -10.891 14.408 -3.125 545 HB1 ALA 75 3HB ALA 75 -12.276 12.959 -4.530 546 HB2 ALA 75 1HB ALA 75 -12.599 12.689 -2.817 547 HB3 ALA 75 2HB ALA 75 -11.614 11.539 -3.721 548 H ASP 76 H ASP 76 -11.113 14.155 -0.885 549 HA ASP 76 HA ASP 76 -8.860 12.914 0.397 550 HB2 ASP 76 2HB ASP 76 -11.229 14.404 1.546 551 HB3 ASP 76 1HB ASP 76 -9.793 13.935 2.439 552 H ASP 77 H ASP 77 -12.013 12.032 -0.386 553 HA ASP 77 HA ASP 77 -12.659 10.264 1.730 554 HB2 ASP 77 2HB ASP 77 -14.370 11.116 0.225 555 HB3 ASP 77 1HB ASP 77 -13.574 10.370 -1.155 556 H CYS 78 H CYS 78 -10.379 10.068 -0.758 557 HA CYS 78 HA CYS 78 -10.533 7.184 -1.086 558 HG CYS 78 HG CYS 78 -11.817 8.704 -3.064 559 HB2 CYS 78 2HB CYS 78 -8.538 9.065 -2.339 560 HB3 CYS 78 1HB CYS 78 -9.059 7.485 -2.920 561 HA PRO 79 HA PRO 79 -7.584 6.419 2.175 562 HB2 PRO 79 1HB PRO 79 -7.712 4.157 2.441 563 HB3 PRO 79 2HB PRO 79 -7.245 3.838 0.766 564 HG2 PRO 79 2HG PRO 79 -9.510 3.318 0.654 565 HG3 PRO 79 1HG PRO 79 -9.932 4.513 1.895 566 HD2 PRO 79 2HD PRO 79 -9.330 4.928 -1.007 567 HD3 PRO 79 1HD PRO 79 -10.569 5.695 0.009 568 H VAL 80 H VAL 80 -6.889 6.334 -1.198 569 HA VAL 80 HA VAL 80 -4.164 5.667 -1.139 570 HB VAL 80 HB VAL 80 -4.012 6.919 -3.300 571 HG11 VAL 80 1HG1 VAL 80 -4.616 4.566 -3.241 572 HG12 VAL 80 2HG1 VAL 80 -5.482 5.400 -4.530 573 HG13 VAL 80 3HG1 VAL 80 -6.314 4.995 -3.027 574 HG21 VAL 80 3HG2 VAL 80 -6.100 7.758 -4.298 575 HG22 VAL 80 1HG2 VAL 80 -5.634 8.671 -2.864 576 HG23 VAL 80 2HG2 VAL 80 -6.927 7.475 -2.766 577 H VAL 81 H VAL 81 -5.858 8.627 -0.388 578 HA VAL 81 HA VAL 81 -3.632 10.384 -0.452 579 HB VAL 81 HB VAL 81 -6.144 10.601 1.224 580 HG11 VAL 81 1HG1 VAL 81 -4.359 12.082 2.004 581 HG12 VAL 81 2HG1 VAL 81 -5.671 13.001 1.266 582 HG13 VAL 81 3HG1 VAL 81 -4.175 12.729 0.373 583 HG21 VAL 81 3HG2 VAL 81 -5.537 11.679 -1.529 584 HG22 VAL 81 1HG2 VAL 81 -6.988 12.027 -0.589 585 HG23 VAL 81 2HG2 VAL 81 -6.667 10.382 -1.143 586 H ILE 82 H ILE 82 -4.886 8.139 1.913 587 HA ILE 82 HA ILE 82 -3.437 8.986 4.170 588 HB ILE 82 HB ILE 82 -4.316 6.191 3.404 589 HG12 ILE 82 2HG1 ILE 82 -6.150 7.842 3.621 590 HG13 ILE 82 1HG1 ILE 82 -6.224 6.591 4.857 591 HG21 ILE 82 1HG2 ILE 82 -4.104 5.668 5.804 592 HG22 ILE 82 2HG2 ILE 82 -3.381 7.256 6.068 593 HG23 ILE 82 3HG2 ILE 82 -2.556 6.067 5.060 594 HD11 ILE 82 3HD1 ILE 82 -5.168 9.385 5.236 595 HD12 ILE 82 1HD1 ILE 82 -5.241 8.132 6.476 596 HD13 ILE 82 2HD1 ILE 82 -6.730 8.778 5.782 597 H ALA 83 H ALA 83 -2.651 6.687 1.587 598 HA ALA 83 HA ALA 83 -0.215 5.756 2.586 599 HB1 ALA 83 3HB ALA 83 -1.408 4.697 0.733 600 HB2 ALA 83 1HB ALA 83 0.270 5.037 0.314 601 HB3 ALA 83 2HB ALA 83 -1.019 6.073 -0.301 602 H LYS 84 H LYS 84 -0.816 8.443 0.320 603 HA LYS 84 HA LYS 84 1.925 9.147 0.073 604 HB2 LYS 84 2HB LYS 84 1.043 11.279 -0.903 605 HB3 LYS 84 1HB LYS 84 0.448 9.816 -1.670 606 HG2 LYS 84 2HG LYS 84 -1.670 10.022 -0.607 607 HG3 LYS 84 1HG LYS 84 -1.085 11.330 0.423 608 HD2 LYS 84 2HD LYS 84 -1.197 11.505 -2.581 609 HD3 LYS 84 1HD LYS 84 -2.506 12.035 -1.526 610 HE2 LYS 84 2HE LYS 84 -0.876 13.543 -0.383 611 HE3 LYS 84 1HE LYS 84 0.313 13.102 -1.607 612 HZ1 LYS 84 3HZ LYS 84 -1.078 14.038 -3.304 613 HZ2 LYS 84 1HZ LYS 84 -0.858 15.199 -2.089 614 HZ3 LYS 84 2HZ LYS 84 -2.317 14.344 -2.190 615 H GLN 85 H GLN 85 -0.591 10.017 2.321 616 HA GLN 85 HA GLN 85 0.776 12.219 3.496 617 HB2 GLN 85 2HB GLN 85 -1.644 11.906 3.749 618 HB3 GLN 85 1HB GLN 85 -1.365 10.431 4.661 619 HG2 GLN 85 2HG GLN 85 -0.230 11.732 6.400 620 HG3 GLN 85 1HG GLN 85 -0.543 13.205 5.488 621 HE21 GLN 85 2HE2 GLN 85 -3.857 13.514 6.508 622 HE22 GLN 85 1HE2 GLN 85 -2.615 14.050 5.436 623 H ILE 86 H ILE 86 0.660 8.758 4.169 624 HA ILE 86 HA ILE 86 2.086 8.821 6.600 625 HB ILE 86 HB ILE 86 1.809 6.595 4.573 626 HG12 ILE 86 2HG1 ILE 86 0.439 7.077 7.233 627 HG13 ILE 86 1HG1 ILE 86 -0.292 7.353 5.653 628 HG21 ILE 86 1HG2 ILE 86 3.818 6.279 5.927 629 HG22 ILE 86 2HG2 ILE 86 2.578 5.099 6.351 630 HG23 ILE 86 3HG2 ILE 86 2.870 6.488 7.399 631 HD11 ILE 86 3HD1 ILE 86 0.610 4.706 6.775 632 HD12 ILE 86 1HD1 ILE 86 -0.069 4.957 5.166 633 HD13 ILE 86 2HD1 ILE 86 -1.053 5.267 6.595 634 H LEU 87 H LEU 87 3.204 8.268 3.246 635 HA LEU 87 HA LEU 87 5.913 7.918 4.030 636 HG LEU 87 HG LEU 87 3.565 8.910 1.365 637 HB2 LEU 87 2HB LEU 87 6.444 8.141 1.624 638 HB3 LEU 87 1HB LEU 87 5.202 6.956 1.965 639 HD11 LEU 87 1HD1 LEU 87 5.273 10.650 1.192 640 HD12 LEU 87 2HD1 LEU 87 4.450 10.405 -0.349 641 HD13 LEU 87 3HD1 LEU 87 6.066 9.747 -0.098 642 HD21 LEU 87 3HD2 LEU 87 5.174 7.448 -0.723 643 HD22 LEU 87 1HD2 LEU 87 3.578 8.161 -0.954 644 HD23 LEU 87 2HD2 LEU 87 3.785 6.801 0.150 645 H SER 88 H SER 88 3.978 10.698 3.509 646 HA SER 88 HA SER 88 6.211 12.524 3.314 647 HG SER 88 HG SER 88 3.840 15.166 3.087 648 HB2 SER 88 2HB SER 88 3.981 13.009 2.283 649 HB3 SER 88 1HB SER 88 3.293 13.104 3.901 650 H SER 89 H SER 89 3.949 11.338 5.700 651 HA SER 89 HA SER 89 3.981 11.201 7.940 652 HG SER 89 HG SER 89 5.396 10.338 9.526 653 HB2 SER 89 2HB SER 89 6.448 10.635 7.486 654 HB3 SER 89 1HB SER 89 6.789 12.292 7.989 655 H ARG 90 H ARG 90 4.895 12.753 9.948 656 HA ARG 90 HA ARG 90 4.334 14.599 11.135 657 HE ARG 90 HE ARG 90 4.884 19.696 11.069 658 HB2 ARG 90 2HB ARG 90 5.997 15.611 9.535 659 HB3 ARG 90 1HB ARG 90 4.644 16.101 8.527 660 HG2 ARG 90 2HG ARG 90 3.801 17.523 10.293 661 HG3 ARG 90 1HG ARG 90 5.087 16.977 11.375 662 HD2 ARG 90 2HD ARG 90 6.748 17.869 9.763 663 HD3 ARG 90 1HD ARG 90 5.419 18.510 8.798 664 HH11 ARG 90 1HH1 ARG 90 8.029 19.164 9.614 665 HH12 ARG 90 2HH1 ARG 90 8.743 20.574 10.341 666 HH21 ARG 90 2HH2 ARG 90 7.466 21.953 11.690 667 HH22 ARG 90 1HH2 ARG 90 5.796 21.560 11.993 668 HA PRO 91 HA PRO 91 0.010 14.069 9.579 669 HB2 PRO 91 1HB PRO 91 -0.936 12.685 11.107 670 HB3 PRO 91 2HB PRO 91 -0.571 13.777 12.446 671 HG2 PRO 91 2HG PRO 91 0.948 12.099 12.929 672 HG3 PRO 91 1HG PRO 91 1.118 11.637 11.225 673 HD2 PRO 91 2HD PRO 91 2.365 13.929 12.698 674 HD3 PRO 91 1HD PRO 91 3.093 12.825 11.511 675 H LYS 92 H LYS 92 -1.000 15.875 9.096 676 HA LYS 92 HA LYS 92 -1.889 17.680 11.169 677 HB2 LYS 92 2HB LYS 92 -1.009 19.688 9.940 678 HB3 LYS 92 1HB LYS 92 0.232 18.711 10.712 679 HG2 LYS 92 2HG LYS 92 0.798 17.700 8.577 680 HG3 LYS 92 1HG LYS 92 -0.490 18.611 7.788 681 HD2 LYS 92 2HD LYS 92 0.623 20.692 8.271 682 HD3 LYS 92 1HD LYS 92 1.849 19.860 9.227 683 HE2 LYS 92 2HE LYS 92 2.683 20.447 6.997 684 HE3 LYS 92 1HE LYS 92 2.639 18.701 7.237 685 HZ1 LYS 92 3HZ LYS 92 1.811 19.349 5.054 686 HZ2 LYS 92 1HZ LYS 92 0.590 20.283 5.771 687 HZ3 LYS 92 2HZ LYS 92 0.596 18.598 5.964 688 H LEU 93 H LEU 93 -3.543 19.130 10.406 689 HA LEU 93 HA LEU 93 -5.295 19.820 9.152 690 HG LEU 93 HG LEU 93 -6.173 18.995 6.281 691 HB2 LEU 93 2HB LEU 93 -3.655 20.244 7.388 692 HB3 LEU 93 1HB LEU 93 -3.783 18.579 6.851 693 HD11 LEU 93 1HD1 LEU 93 -6.993 21.271 6.172 694 HD12 LEU 93 2HD1 LEU 93 -5.477 21.875 6.841 695 HD13 LEU 93 3HD1 LEU 93 -6.538 20.869 7.828 696 HD21 LEU 93 3HD2 LEU 93 -4.156 20.809 4.957 697 HD22 LEU 93 1HD2 LEU 93 -5.701 20.307 4.268 698 HD23 LEU 93 2HD2 LEU 93 -4.443 19.110 4.573 699 H HIS 94 H HIS 94 -6.994 18.728 9.886 700 HA HIS 94 HA HIS 94 -7.473 16.028 8.795 701 HD1 HIS 94 1HD HIS 94 -10.656 16.498 12.090 702 HD2 HIS 94 2HD HIS 94 -7.349 19.017 11.955 703 HE1 HIS 94 1HE HIS 94 -11.257 18.487 13.509 704 HE2 HIS 94 2HE HIS 94 -9.287 20.050 13.322 705 HB2 HIS 94 2HB HIS 94 -8.824 15.536 10.755 706 HB3 HIS 94 1HB HIS 94 -7.227 16.070 11.258 707 H ALA 95 H ALA 95 -8.060 18.374 7.365 708 HA ALA 95 HA ALA 95 -10.807 19.111 7.649 709 HB1 ALA 95 3HB ALA 95 -10.489 20.356 5.594 710 HB2 ALA 95 1HB ALA 95 -8.950 19.542 5.311 711 HB3 ALA 95 2HB ALA 95 -9.135 20.628 6.689 712 H VAL 96 H VAL 96 -12.217 17.472 7.436 713 HA VAL 96 HA VAL 96 -12.327 16.132 4.823 714 HB VAL 96 HB VAL 96 -12.976 14.788 7.460 715 HG11 VAL 96 1HG1 VAL 96 -12.933 13.710 4.642 716 HG12 VAL 96 2HG1 VAL 96 -14.367 14.002 5.626 717 HG13 VAL 96 3HG1 VAL 96 -13.212 12.757 6.099 718 HG21 VAL 96 3HG2 VAL 96 -11.022 13.378 7.046 719 HG22 VAL 96 1HG2 VAL 96 -10.564 15.073 7.203 720 HG23 VAL 96 2HG2 VAL 96 -10.639 14.323 5.608 721 HA MET 1 HA MET 1 -15.887 -7.049 -16.155 722 H1 MET 1 1H MET 1 -16.226 -4.560 -17.718 723 H2 MET 1 2H MET 1 -17.483 -5.475 -17.040 724 H3 MET 1 3H MET 1 -16.519 -6.134 -18.274 725 HB2 MET 1 2HB MET 1 -14.119 -6.783 -17.791 726 HB3 MET 1 1HB MET 1 -13.899 -5.100 -17.339 727 HG2 MET 1 2HG MET 1 -12.137 -6.488 -16.428 728 HG3 MET 1 1HG MET 1 -13.113 -5.783 -15.138 729 HE1 MET 1 3HE MET 1 -12.131 -7.473 -13.369 730 HE2 MET 1 1HE MET 1 -11.108 -8.173 -14.622 731 HE3 MET 1 2HE MET 1 -12.092 -9.222 -13.602 732 H GLY 2 H GLY 2 -16.175 -6.757 -14.045 733 HA2 GLY 2 2HA GLY 2 -15.067 -5.187 -12.260 734 HA3 GLY 2 1HA GLY 2 -16.170 -4.025 -12.982 735 H SER 3 H SER 3 -16.735 -7.463 -12.356 736 HA SER 3 HA SER 3 -19.274 -6.985 -11.201 737 HG SER 3 HG SER 3 -17.788 -9.081 -13.145 738 HB2 SER 3 2HB SER 3 -17.587 -9.490 -10.992 739 HB3 SER 3 1HB SER 3 -19.336 -9.373 -10.795 740 H SER 4 H SER 4 -19.524 -5.994 -9.324 741 HA SER 4 HA SER 4 -17.543 -6.396 -7.205 742 HG SER 4 HG SER 4 -19.229 -3.786 -5.514 743 HB2 SER 4 2HB SER 4 -18.063 -4.073 -7.879 744 HB3 SER 4 1HB SER 4 -19.753 -4.336 -7.457 745 H HIS 5 H HIS 5 -18.592 -6.255 -4.938 746 HA HIS 5 HA HIS 5 -21.038 -7.879 -4.838 747 HD1 HIS 5 1HD HIS 5 -21.327 -10.709 -4.081 748 HD2 HIS 5 2HD HIS 5 -19.773 -8.844 -0.701 749 HE1 HIS 5 1HE HIS 5 -22.473 -11.791 -2.120 750 HE2 HIS 5 2HE HIS 5 -21.353 -10.802 -0.089 751 HB2 HIS 5 2HB HIS 5 -19.063 -9.330 -4.438 752 HB3 HIS 5 1HB HIS 5 -18.584 -8.285 -3.107 753 H HIS 6 H HIS 6 -22.498 -6.588 -3.951 754 HA HIS 6 HA HIS 6 -21.647 -4.349 -2.363 755 HD1 HIS 6 1HD HIS 6 -26.049 -5.039 -1.633 756 HD2 HIS 6 2HD HIS 6 -24.425 -6.269 -5.258 757 HE1 HIS 6 1HE HIS 6 -27.712 -6.653 -2.609 758 HE2 HIS 6 2HE HIS 6 -26.793 -7.242 -4.883 759 HB2 HIS 6 2HB HIS 6 -24.034 -3.691 -2.322 760 HB3 HIS 6 1HB HIS 6 -23.406 -3.928 -3.944 761 H HIS 7 H HIS 7 -20.930 -4.881 -0.449 762 HA HIS 7 HA HIS 7 -22.914 -5.762 1.498 763 HD1 HIS 7 1HD HIS 7 -19.923 -6.842 4.059 764 HD2 HIS 7 2HD HIS 7 -23.311 -8.825 2.672 765 HE1 HIS 7 1HE HIS 7 -20.853 -8.074 6.043 766 HE2 HIS 7 2HE HIS 7 -22.819 -9.373 5.156 767 HB2 HIS 7 2HB HIS 7 -21.508 -7.762 0.798 768 HB3 HIS 7 1HB HIS 7 -20.119 -6.926 1.478 769 H HIS 8 H HIS 8 -22.735 -3.354 1.660 770 HA HIS 8 HA HIS 8 -20.221 -2.446 2.830 771 HD1 HIS 8 1HD HIS 8 -23.165 1.048 3.047 772 HD2 HIS 8 2HD HIS 8 -23.711 -1.937 0.208 773 HE1 HIS 8 1HE HIS 8 -25.535 1.293 2.255 774 HE2 HIS 8 2HE HIS 8 -25.734 -0.328 0.336 775 HB2 HIS 8 2HB HIS 8 -21.061 -0.151 2.528 776 HB3 HIS 8 1HB HIS 8 -21.024 -1.053 1.026 777 H HIS 9 H HIS 9 -20.397 -3.447 4.785 778 HA HIS 9 HA HIS 9 -22.509 -2.926 6.628 779 HD1 HIS 9 1HD HIS 9 -19.535 -3.437 9.709 780 HD2 HIS 9 2HD HIS 9 -23.137 -5.167 8.555 781 HE1 HIS 9 1HE HIS 9 -20.705 -4.047 11.843 782 HE2 HIS 9 2HE HIS 9 -22.740 -5.329 11.103 783 HB2 HIS 9 2HB HIS 9 -20.930 -4.904 6.678 784 HB3 HIS 9 1HB HIS 9 -19.676 -3.804 7.237 785 H HIS 10 H HIS 10 -22.535 -1.451 8.369 786 HA HIS 10 HA HIS 10 -21.062 0.961 7.897 787 HD1 HIS 10 1HD HIS 10 -25.021 -0.195 8.755 788 HD2 HIS 10 2HD HIS 10 -22.988 3.261 7.669 789 HE1 HIS 10 1HE HIS 10 -26.530 0.996 7.136 790 HE2 HIS 10 2HE HIS 10 -25.162 2.941 6.305 791 HB2 HIS 10 2HB HIS 10 -22.959 0.169 10.111 792 HB3 HIS 10 1HB HIS 10 -22.193 1.752 10.012 793 H SER 11 H SER 11 -18.935 0.311 8.078 794 HA SER 11 HA SER 11 -17.920 -0.743 10.552 795 HG SER 11 HG SER 11 -16.572 1.354 8.023 796 HB2 SER 11 2HB SER 11 -15.694 -0.371 9.397 797 HB3 SER 11 1HB SER 11 -16.814 -1.429 8.538 798 H SER 12 H SER 12 -17.724 0.509 12.276 799 HA SER 12 HA SER 12 -17.030 3.331 11.942 800 HG SER 12 HG SER 12 -19.354 3.225 12.511 801 HB2 SER 12 2HB SER 12 -17.830 1.855 14.464 802 HB3 SER 12 1HB SER 12 -17.696 3.600 14.262 803 H GLY 13 H GLY 13 -14.896 3.592 11.736 804 HA2 GLY 13 2HA GLY 13 -12.958 1.739 12.625 805 HA3 GLY 13 1HA GLY 13 -12.635 3.378 12.079 806 H ARG 14 H ARG 14 -11.612 1.684 14.369 807 HA ARG 14 HA ARG 14 -12.463 3.348 16.625 808 HE ARG 14 HE ARG 14 -10.828 2.632 20.789 809 HB2 ARG 14 2HB ARG 14 -12.642 0.956 17.000 810 HB3 ARG 14 1HB ARG 14 -10.956 0.729 16.553 811 HG2 ARG 14 2HG ARG 14 -11.243 0.634 18.962 812 HG3 ARG 14 1HG ARG 14 -10.259 2.024 18.501 813 HD2 ARG 14 2HD ARG 14 -12.260 3.458 18.685 814 HD3 ARG 14 1HD ARG 14 -13.190 2.059 19.219 815 HH11 ARG 14 1HH1 ARG 14 -14.254 3.240 20.370 816 HH12 ARG 14 2HH1 ARG 14 -14.524 3.628 22.043 817 HH21 ARG 14 2HH2 ARG 14 -12.771 3.549 23.534 818 HH22 ARG 14 1HH2 ARG 14 -11.172 3.145 22.983 819 H GLU 15 H GLU 15 -11.294 5.159 16.646 820 HA GLU 15 HA GLU 15 -9.560 6.532 17.110 821 HB2 GLU 15 2HB GLU 15 -8.182 3.968 17.923 822 HB3 GLU 15 1HB GLU 15 -7.644 5.593 18.326 823 HG2 GLU 15 2HG GLU 15 -9.561 5.976 19.687 824 HG3 GLU 15 1HG GLU 15 -10.314 4.478 19.138 825 H ASN 16 H ASN 16 -6.783 6.056 16.915 826 HA ASN 16 HA ASN 16 -5.916 5.019 14.462 827 HB2 ASN 16 2HB ASN 16 -7.102 6.777 13.341 828 HB3 ASN 16 1HB ASN 16 -6.541 7.981 14.497 829 HD21 ASN 16 2HD2 ASN 16 -4.190 6.813 11.391 830 HD22 ASN 16 1HD2 ASN 16 -5.607 5.913 11.825 831 H LEU 17 H LEU 17 -3.677 4.947 14.481 832 HA LEU 17 HA LEU 17 -2.258 6.667 16.332 833 HG LEU 17 HG LEU 17 -0.162 4.874 17.711 834 HB2 LEU 17 2HB LEU 17 -3.148 4.524 17.491 835 HB3 LEU 17 1HB LEU 17 -1.903 3.696 16.576 836 HD11 LEU 17 1HD1 LEU 17 -0.627 6.603 19.383 837 HD12 LEU 17 2HD1 LEU 17 -2.343 6.519 18.986 838 HD13 LEU 17 3HD1 LEU 17 -1.186 7.081 17.781 839 HD21 LEU 17 3HD2 LEU 17 -0.566 4.244 20.035 840 HD22 LEU 17 1HD2 LEU 17 -1.142 2.994 18.933 841 HD23 LEU 17 2HD2 LEU 17 -2.291 4.090 19.701 842 H TYR 18 H TYR 18 0.138 6.211 16.180 843 HA TYR 18 HA TYR 18 0.713 5.923 13.313 844 HD1 TYR 18 1HD TYR 18 0.490 7.657 12.021 845 HD2 TYR 18 2HD TYR 18 4.225 8.424 13.900 846 HE1 TYR 18 1HE TYR 18 1.368 8.536 9.902 847 HE2 TYR 18 2HE TYR 18 5.115 9.306 11.783 848 HH TYR 18 HH TYR 18 3.071 9.897 9.042 849 HB2 TYR 18 2HB TYR 18 0.995 8.147 14.764 850 HB3 TYR 18 1HB TYR 18 2.551 7.411 15.129 851 H PHE 19 H PHE 19 3.482 5.913 13.426 852 HA PHE 19 HA PHE 19 3.991 3.165 13.839 853 HD1 PHE 19 1HD PHE 19 5.117 2.275 11.614 854 HD2 PHE 19 2HD PHE 19 5.110 6.529 11.456 855 HE1 PHE 19 1HE PHE 19 4.481 2.181 9.240 856 HE2 PHE 19 2HE PHE 19 4.472 6.444 9.081 857 HZ PHE 19 HZ PHE 19 4.155 4.267 7.971 858 HB2 PHE 19 2HB PHE 19 5.905 5.456 13.356 859 HB3 PHE 19 1HB PHE 19 6.347 3.753 13.302 860 H GLN 20 H GLN 20 5.536 2.203 15.237 861 HA GLN 20 HA GLN 20 6.286 1.625 17.261 862 HB2 GLN 20 2HB GLN 20 6.920 4.564 17.295 863 HB3 GLN 20 1HB GLN 20 7.389 3.467 18.580 864 HG2 GLN 20 2HG GLN 20 8.685 2.138 17.038 865 HG3 GLN 20 1HG GLN 20 8.173 3.159 15.697 866 HE21 GLN 20 2HE2 GLN 20 11.574 4.086 17.091 867 HE22 GLN 20 1HE2 GLN 20 10.853 2.553 16.721 868 H GLY 21 H GLY 21 3.482 2.579 16.878 869 HA2 GLY 21 2HA GLY 21 2.842 2.361 19.736 870 HA3 GLY 21 1HA GLY 21 1.985 3.539 18.740 871 H MET 22 H MET 22 2.994 0.145 18.394 872 HA MET 22 HA MET 22 0.433 -0.301 17.033 873 HB2 MET 22 2HB MET 22 3.104 -1.651 16.672 874 HB3 MET 22 1HB MET 22 1.618 -2.204 15.906 875 HG2 MET 22 2HG MET 22 1.399 -0.064 14.765 876 HG3 MET 22 1HG MET 22 2.872 0.508 15.544 877 HE1 MET 22 3HE MET 22 3.711 1.189 13.094 878 HE2 MET 22 1HE MET 22 2.252 0.507 12.373 879 HE3 MET 22 2HE MET 22 3.838 0.045 11.756 880 H THR 23 H THR 23 -0.968 -1.580 17.881 881 HA THR 23 HA THR 23 -0.228 -3.920 19.384 882 HB THR 23 HB THR 23 -0.201 -2.380 21.216 883 HG1 THR 23 1HG THR 23 -1.218 -3.969 22.172 884 HG21 THR 23 3HG2 THR 23 -2.068 -0.914 21.782 885 HG22 THR 23 1HG2 THR 23 -2.931 -1.442 20.339 886 HG23 THR 23 2HG2 THR 23 -1.430 -0.531 20.181 887 H ASP 24 H ASP 24 -2.786 -1.800 18.154 888 HA ASP 24 HA ASP 24 -4.275 -4.090 17.218 889 HB2 ASP 24 2HB ASP 24 -5.019 -3.940 19.551 890 HB3 ASP 24 1HB ASP 24 -5.452 -2.251 19.314 891 H THR 25 H THR 25 -4.685 -0.630 17.941 892 HA THR 25 HA THR 25 -6.497 -0.009 15.932 893 HB THR 25 HB THR 25 -5.354 2.349 16.210 894 HG1 THR 25 1HG THR 25 -4.489 1.944 18.635 895 HG21 THR 25 3HG2 THR 25 -7.538 1.751 17.124 896 HG22 THR 25 1HG2 THR 25 -6.602 2.666 18.309 897 HG23 THR 25 2HG2 THR 25 -6.759 0.917 18.470 898 H ALA 26 H ALA 26 -2.968 0.474 15.886 899 HA ALA 26 HA ALA 26 -2.732 1.615 13.379 900 HB1 ALA 26 3HB ALA 26 -0.744 -0.192 14.740 901 HB2 ALA 26 1HB ALA 26 -0.928 1.538 15.030 902 HB3 ALA 26 2HB ALA 26 -0.394 0.960 13.452 903 H ALA 27 H ALA 27 -3.296 -1.716 14.175 904 HA ALA 27 HA ALA 27 -2.354 -2.864 11.749 905 HB1 ALA 27 3HB ALA 27 -3.578 -4.863 12.442 906 HB2 ALA 27 1HB ALA 27 -4.383 -3.940 13.711 907 HB3 ALA 27 2HB ALA 27 -2.639 -4.197 13.778 908 H GLU 28 H GLU 28 -5.278 -1.293 12.718 909 HA GLU 28 HA GLU 28 -6.890 -2.365 10.582 910 HB2 GLU 28 2HB GLU 28 -7.369 -1.181 13.044 911 HB3 GLU 28 1HB GLU 28 -7.889 0.043 11.898 912 HG2 GLU 28 2HG GLU 28 -8.817 -2.818 11.858 913 HG3 GLU 28 1HG GLU 28 -9.677 -1.505 12.656 914 H ASP 29 H ASP 29 -5.275 0.687 11.340 915 HA ASP 29 HA ASP 29 -6.187 2.174 9.141 916 HB2 ASP 29 2HB ASP 29 -3.653 2.414 10.768 917 HB3 ASP 29 1HB ASP 29 -4.140 3.589 9.552 918 H VAL 30 H VAL 30 -3.251 0.203 9.525 919 HA VAL 30 HA VAL 30 -2.276 0.748 6.901 920 HB VAL 30 HB VAL 30 -1.575 -1.534 8.762 921 HG11 VAL 30 1HG1 VAL 30 0.478 -1.733 7.435 922 HG12 VAL 30 2HG1 VAL 30 -0.118 -0.495 6.329 923 HG13 VAL 30 3HG1 VAL 30 -0.957 -2.041 6.456 924 HG21 VAL 30 3HG2 VAL 30 -0.242 1.135 8.314 925 HG22 VAL 30 1HG2 VAL 30 0.389 -0.167 9.321 926 HG23 VAL 30 2HG2 VAL 30 -1.120 0.634 9.758 927 H ARG 31 H ARG 31 -4.376 -1.703 8.277 928 HA ARG 31 HA ARG 31 -4.370 -3.478 6.072 929 HE ARG 31 HE ARG 31 -8.388 -3.719 8.611 930 HB2 ARG 31 2HB ARG 31 -5.216 -4.046 8.350 931 HB3 ARG 31 1HB ARG 31 -6.599 -3.001 8.063 932 HG2 ARG 31 2HG ARG 31 -7.223 -4.430 6.142 933 HG3 ARG 31 1HG ARG 31 -5.893 -5.510 6.562 934 HD2 ARG 31 2HD ARG 31 -7.932 -6.392 7.473 935 HD3 ARG 31 1HD ARG 31 -6.912 -5.827 8.796 936 HH11 ARG 31 1HH1 ARG 31 -9.483 -7.006 8.091 937 HH12 ARG 31 2HH1 ARG 31 -11.129 -6.654 8.518 938 HH21 ARG 31 2HH2 ARG 31 -11.720 -4.537 9.144 939 HH22 ARG 31 1HH2 ARG 31 -10.526 -3.266 9.185 940 H LYS 32 H LYS 32 -6.056 -0.517 6.763 941 HA LYS 32 HA LYS 32 -8.235 -0.709 5.041 942 HB2 LYS 32 2HB LYS 32 -6.986 1.289 6.645 943 HB3 LYS 32 1HB LYS 32 -7.318 1.985 5.066 944 HG2 LYS 32 2HG LYS 32 -9.118 2.256 6.805 945 HG3 LYS 32 1HG LYS 32 -9.629 1.582 5.256 946 HD2 LYS 32 2HD LYS 32 -9.674 -0.638 6.166 947 HD3 LYS 32 1HD LYS 32 -8.952 -0.082 7.680 948 HE2 LYS 32 2HE LYS 32 -11.571 0.993 6.677 949 HE3 LYS 32 1HE LYS 32 -11.480 -0.481 7.640 950 HZ1 LYS 32 3HZ LYS 32 -11.873 1.707 8.852 951 HZ2 LYS 32 1HZ LYS 32 -10.236 2.038 8.569 952 HZ3 LYS 32 2HZ LYS 32 -10.681 0.670 9.478 953 H ILE 33 H ILE 33 -4.998 0.661 4.378 954 HA ILE 33 HA ILE 33 -5.653 1.236 1.656 955 HB ILE 33 HB ILE 33 -3.198 1.601 1.358 956 HG12 ILE 33 2HG1 ILE 33 -3.097 0.977 4.316 957 HG13 ILE 33 1HG1 ILE 33 -2.404 -0.011 3.035 958 HG21 ILE 33 1HG2 ILE 33 -4.508 3.025 3.664 959 HG22 ILE 33 2HG2 ILE 33 -4.657 3.434 1.956 960 HG23 ILE 33 3HG2 ILE 33 -3.103 3.607 2.770 961 HD11 ILE 33 3HD1 ILE 33 -0.717 1.325 4.178 962 HD12 ILE 33 1HD1 ILE 33 -1.568 2.801 3.720 963 HD13 ILE 33 2HD1 ILE 33 -0.854 1.771 2.478 964 H ALA 34 H ALA 34 -4.273 -1.486 3.335 965 HA ALA 34 HA ALA 34 -3.225 -2.829 1.068 966 HB1 ALA 34 3HB ALA 34 -4.111 -3.963 3.717 967 HB2 ALA 34 1HB ALA 34 -2.503 -3.341 3.342 968 HB3 ALA 34 2HB ALA 34 -3.104 -4.784 2.524 969 H THR 35 H THR 35 -6.376 -2.703 2.554 970 HA THR 35 HA THR 35 -7.556 -4.968 1.418 971 HB THR 35 HB THR 35 -8.860 -2.344 2.163 972 HG1 THR 35 1HG THR 35 -7.695 -3.376 3.882 973 HG21 THR 35 3HG2 THR 35 -10.325 -3.748 0.782 974 HG22 THR 35 1HG2 THR 35 -10.903 -3.661 2.446 975 HG23 THR 35 2HG2 THR 35 -10.059 -5.102 1.880 976 H ALA 36 H ALA 36 -6.823 -1.865 0.029 977 HA ALA 36 HA ALA 36 -8.750 -1.763 -2.007 978 HB1 ALA 36 3HB ALA 36 -7.414 0.164 -1.302 979 HB2 ALA 36 1HB ALA 36 -7.329 -0.092 -3.045 980 HB3 ALA 36 2HB ALA 36 -5.980 -0.573 -2.015 981 H LEU 37 H LEU 37 -5.632 -3.428 -1.901 982 HA LEU 37 HA LEU 37 -5.412 -3.745 -4.704 983 HG LEU 37 HG LEU 37 -4.624 -5.296 -1.418 984 HB2 LEU 37 2HB LEU 37 -3.630 -5.321 -4.238 985 HB3 LEU 37 1HB LEU 37 -3.454 -3.863 -3.293 986 HD11 LEU 37 1HD1 LEU 37 -4.025 -7.649 -1.510 987 HD12 LEU 37 2HD1 LEU 37 -3.370 -7.437 -3.134 988 HD13 LEU 37 3HD1 LEU 37 -5.098 -7.227 -2.845 989 HD21 LEU 37 3HD2 LEU 37 -2.413 -5.995 -0.636 990 HD22 LEU 37 1HD2 LEU 37 -2.389 -4.350 -1.271 991 HD23 LEU 37 2HD2 LEU 37 -1.747 -5.677 -2.238 992 H LEU 38 H LEU 38 -7.187 -5.453 -2.294 993 HA LEU 38 HA LEU 38 -7.502 -7.913 -3.646 994 HG LEU 38 HG LEU 38 -8.654 -8.518 -0.191 995 HB2 LEU 38 2HB LEU 38 -9.185 -6.506 -1.585 996 HB3 LEU 38 1HB LEU 38 -9.669 -8.041 -2.271 997 HD11 LEU 38 1HD1 LEU 38 -8.029 -10.057 -1.944 998 HD12 LEU 38 2HD1 LEU 38 -6.695 -9.854 -0.808 999 HD13 LEU 38 3HD1 LEU 38 -6.649 -9.045 -2.374 1000 HD21 LEU 38 3HD2 LEU 38 -6.392 -7.778 0.412 1001 HD22 LEU 38 1HD2 LEU 38 -7.499 -6.422 0.194 1002 HD23 LEU 38 2HD2 LEU 38 -6.325 -6.813 -1.062 1003 H LYS 39 H LYS 39 -8.900 -4.797 -4.117 1004 HA LYS 39 HA LYS 39 -11.112 -5.833 -5.686 1005 HB2 LYS 39 2HB LYS 39 -10.336 -3.032 -4.870 1006 HB3 LYS 39 1HB LYS 39 -11.741 -3.425 -5.843 1007 HG2 LYS 39 2HG LYS 39 -12.616 -4.793 -3.998 1008 HG3 LYS 39 1HG LYS 39 -11.225 -4.323 -3.022 1009 HD2 LYS 39 2HD LYS 39 -11.904 -1.972 -3.198 1010 HD3 LYS 39 1HD LYS 39 -13.306 -2.454 -4.157 1011 HE2 LYS 39 2HE LYS 39 -12.726 -3.197 -1.293 1012 HE3 LYS 39 1HE LYS 39 -13.982 -2.100 -1.865 1013 HZ1 LYS 39 3HZ LYS 39 -13.836 -4.996 -2.495 1014 HZ2 LYS 39 1HZ LYS 39 -15.074 -3.935 -2.965 1015 HZ3 LYS 39 2HZ LYS 39 -14.846 -4.315 -1.323 1016 H THR 40 H THR 40 -8.029 -4.229 -6.062 1017 HA THR 40 HA THR 40 -8.036 -4.791 -8.859 1018 HB THR 40 HB THR 40 -9.231 -2.793 -9.131 1019 HG1 THR 40 1HG THR 40 -7.728 -1.473 -10.243 1020 HG21 THR 40 3HG2 THR 40 -7.292 -1.449 -7.248 1021 HG22 THR 40 1HG2 THR 40 -8.978 -1.840 -6.906 1022 HG23 THR 40 2HG2 THR 40 -8.582 -0.638 -8.134 1023 H ALA 41 H ALA 41 -6.275 -5.996 -8.296 1024 HA ALA 41 HA ALA 41 -3.805 -4.382 -8.187 1025 HB1 ALA 41 3HB ALA 41 -4.157 -7.165 -7.064 1026 HB2 ALA 41 1HB ALA 41 -4.088 -5.684 -6.108 1027 HB3 ALA 41 2HB ALA 41 -2.680 -6.204 -7.033 1028 H ILE 42 H ILE 42 -5.703 -5.772 -10.216 1029 HA ILE 42 HA ILE 42 -3.605 -7.169 -11.740 1030 HB ILE 42 HB ILE 42 -6.521 -7.962 -11.556 1031 HG12 ILE 42 2HG1 ILE 42 -4.054 -9.410 -10.563 1032 HG13 ILE 42 1HG1 ILE 42 -5.199 -8.545 -9.540 1033 HG21 ILE 42 1HG2 ILE 42 -5.581 -8.346 -13.775 1034 HG22 ILE 42 2HG2 ILE 42 -5.909 -9.866 -12.942 1035 HG23 ILE 42 3HG2 ILE 42 -4.258 -9.261 -13.056 1036 HD11 ILE 42 3HD1 ILE 42 -5.595 -10.935 -9.468 1037 HD12 ILE 42 1HD1 ILE 42 -5.800 -10.975 -11.221 1038 HD13 ILE 42 2HD1 ILE 42 -6.959 -10.105 -10.215 1039 H GLU 43 H GLU 43 -3.619 -6.856 -13.956 1040 HA GLU 43 HA GLU 43 -5.330 -4.665 -14.918 1041 HB2 GLU 43 2HB GLU 43 -2.785 -4.502 -14.993 1042 HB3 GLU 43 1HB GLU 43 -2.833 -5.748 -16.225 1043 HG2 GLU 43 2HG GLU 43 -2.724 -3.837 -17.484 1044 HG3 GLU 43 1HG GLU 43 -4.463 -4.118 -17.420 1045 H ILE 44 H ILE 44 -6.510 -4.914 -16.807 1046 HA ILE 44 HA ILE 44 -6.611 -7.668 -17.865 1047 HB ILE 44 HB ILE 44 -8.798 -5.594 -17.716 1048 HG12 ILE 44 2HG1 ILE 44 -8.396 -7.010 -15.714 1049 HG13 ILE 44 1HG1 ILE 44 -9.976 -7.288 -16.437 1050 HG21 ILE 44 1HG2 ILE 44 -8.849 -8.225 -19.196 1051 HG22 ILE 44 2HG2 ILE 44 -8.868 -6.619 -19.928 1052 HG23 ILE 44 3HG2 ILE 44 -10.228 -7.155 -18.941 1053 HD11 ILE 44 3HD1 ILE 44 -7.542 -9.030 -16.702 1054 HD12 ILE 44 1HD1 ILE 44 -9.052 -9.282 -17.575 1055 HD13 ILE 44 2HD1 ILE 44 -9.021 -9.395 -15.814 1056 H VAL 45 H VAL 45 -5.519 -7.819 -19.650 1057 HA VAL 45 HA VAL 45 -5.683 -5.637 -21.606 1058 HB VAL 45 HB VAL 45 -3.730 -6.830 -22.719 1059 HG11 VAL 45 1HG1 VAL 45 -3.346 -5.690 -19.952 1060 HG12 VAL 45 2HG1 VAL 45 -3.454 -4.773 -21.455 1061 HG13 VAL 45 3HG1 VAL 45 -2.086 -5.851 -21.177 1062 HG21 VAL 45 3HG2 VAL 45 -3.931 -8.996 -21.627 1063 HG22 VAL 45 1HG2 VAL 45 -3.639 -8.250 -20.054 1064 HG23 VAL 45 2HG2 VAL 45 -2.361 -8.275 -21.268 1065 H SER 46 H SER 46 -7.333 -5.974 -22.922 1066 HA SER 46 HA SER 46 -8.012 -8.694 -23.709 1067 HG SER 46 HG SER 46 -9.922 -7.524 -25.834 1068 HB2 SER 46 2HB SER 46 -9.877 -7.323 -23.001 1069 HB3 SER 46 1HB SER 46 -9.437 -6.063 -24.146 1070 H GLU 47 H GLU 47 -7.981 -9.422 -25.792 1071 HA GLU 47 HA GLU 47 -5.900 -8.255 -27.379 1072 HB2 GLU 47 2HB GLU 47 -7.667 -10.656 -27.813 1073 HB3 GLU 47 1HB GLU 47 -6.399 -10.170 -28.931 1074 HG2 GLU 47 2HG GLU 47 -4.755 -10.404 -27.110 1075 HG3 GLU 47 1HG GLU 47 -6.047 -10.988 -26.062 1076 H GLU 48 H GLU 48 -6.349 -8.465 -29.876 1077 HA GLU 48 HA GLU 48 -7.968 -6.212 -30.478 1078 HB2 GLU 48 2HB GLU 48 -5.776 -6.824 -31.534 1079 HB3 GLU 48 1HB GLU 48 -6.609 -8.124 -32.370 1080 HG2 GLU 48 2HG GLU 48 -7.978 -6.527 -33.556 1081 HG3 GLU 48 1HG GLU 48 -7.235 -5.198 -32.658 1082 H ASP 49 H ASP 49 -8.177 -9.655 -31.221 1083 HA ASP 49 HA ASP 49 -11.041 -9.291 -31.803 1084 HB2 ASP 49 2HB ASP 49 -9.861 -9.627 -33.918 1085 HB3 ASP 49 1HB ASP 49 -9.111 -11.089 -33.290 1086 H GLY 50 H GLY 50 -8.544 -11.092 -30.251 1087 HA2 GLY 50 2HA GLY 50 -9.953 -13.509 -29.801 1088 HA3 GLY 50 1HA GLY 50 -8.538 -12.964 -28.919 1089 H GLY 51 H GLY 51 -8.785 -12.162 -26.874 1090 HA2 GLY 51 2HA GLY 51 -11.327 -11.248 -25.909 1091 HA3 GLY 51 1HA GLY 51 -10.882 -12.837 -25.303 1092 H ALA 52 H ALA 52 -11.030 -11.616 -23.264 1093 HA ALA 52 HA ALA 52 -9.008 -9.664 -22.667 1094 HB1 ALA 52 3HB ALA 52 -9.962 -9.657 -20.427 1095 HB2 ALA 52 1HB ALA 52 -10.938 -11.067 -20.828 1096 HB3 ALA 52 2HB ALA 52 -11.229 -9.533 -21.648 1097 H HIS 53 H HIS 53 -7.445 -9.911 -20.936 1098 HA HIS 53 HA HIS 53 -6.721 -12.668 -20.271 1099 HD1 HIS 53 1HD HIS 53 -4.569 -14.385 -21.772 1100 HD2 HIS 53 2HD HIS 53 -6.021 -11.235 -24.076 1101 HE1 HIS 53 1HE HIS 53 -5.012 -15.349 -24.047 1102 HE2 HIS 53 2HE HIS 53 -5.835 -13.424 -25.454 1103 HB2 HIS 53 2HB HIS 53 -4.871 -10.668 -21.577 1104 HB3 HIS 53 1HB HIS 53 -4.286 -12.068 -20.687 1105 H ASN 54 H ASN 54 -5.891 -12.901 -18.256 1106 HA ASN 54 HA ASN 54 -6.030 -10.558 -16.530 1107 HB2 ASN 54 2HB ASN 54 -7.178 -12.744 -15.971 1108 HB3 ASN 54 1HB ASN 54 -5.578 -13.444 -15.746 1109 HD21 ASN 54 2HD2 ASN 54 -7.264 -11.137 -12.904 1110 HD22 ASN 54 1HD2 ASN 54 -8.009 -11.402 -14.439 1111 H GLN 55 H GLN 55 -4.229 -9.437 -16.098 1112 HA GLN 55 HA GLN 55 -1.670 -10.902 -16.116 1113 HB2 GLN 55 2HB GLN 55 -1.848 -9.489 -18.102 1114 HB3 GLN 55 1HB GLN 55 -2.186 -8.088 -17.095 1115 HG2 GLN 55 2HG GLN 55 0.050 -8.357 -16.058 1116 HG3 GLN 55 1HG GLN 55 0.377 -9.660 -17.198 1117 HE21 GLN 55 2HE2 GLN 55 -0.033 -7.039 -19.896 1118 HE22 GLN 55 1HE2 GLN 55 -1.066 -8.314 -19.364 1119 H CYS 56 H CYS 56 -0.595 -10.832 -14.270 1120 HA CYS 56 HA CYS 56 -1.221 -9.034 -12.143 1121 HG CYS 56 HG CYS 56 -1.677 -11.859 -12.213 1122 HB2 CYS 56 2HB CYS 56 1.289 -10.685 -12.543 1123 HB3 CYS 56 1HB CYS 56 0.725 -9.989 -11.028 1124 H LYS 57 H LYS 57 -0.946 -6.916 -12.548 1125 HA LYS 57 HA LYS 57 0.783 -5.991 -14.601 1126 HB2 LYS 57 2HB LYS 57 -1.503 -5.082 -13.729 1127 HB3 LYS 57 1HB LYS 57 -0.520 -4.203 -12.572 1128 HG2 LYS 57 2HG LYS 57 0.050 -3.995 -15.499 1129 HG3 LYS 57 1HG LYS 57 -1.254 -3.062 -14.769 1130 HD2 LYS 57 2HD LYS 57 0.407 -2.152 -13.146 1131 HD3 LYS 57 1HD LYS 57 1.675 -2.973 -14.058 1132 HE2 LYS 57 2HE LYS 57 1.490 -0.627 -14.713 1133 HE3 LYS 57 1HE LYS 57 1.076 -1.697 -16.052 1134 HZ1 LYS 57 3HZ LYS 57 -0.936 -0.434 -14.274 1135 HZ2 LYS 57 1HZ LYS 57 -1.237 -1.282 -15.706 1136 HZ3 LYS 57 2HZ LYS 57 -0.455 0.228 -15.756 1137 H LEU 58 H LEU 58 1.206 -6.489 -11.244 1138 HA LEU 58 HA LEU 58 3.200 -4.423 -10.929 1139 HG LEU 58 HG LEU 58 4.180 -4.496 -8.392 1140 HB2 LEU 58 2HB LEU 58 1.436 -5.459 -9.216 1141 HB3 LEU 58 1HB LEU 58 2.797 -6.507 -8.857 1142 HD11 LEU 58 1HD1 LEU 58 1.560 -3.049 -8.760 1143 HD12 LEU 58 2HD1 LEU 58 2.993 -2.897 -9.776 1144 HD13 LEU 58 3HD1 LEU 58 3.037 -2.339 -8.103 1145 HD21 LEU 58 3HD2 LEU 58 3.120 -3.948 -6.251 1146 HD22 LEU 58 1HD2 LEU 58 3.091 -5.684 -6.568 1147 HD23 LEU 58 2HD2 LEU 58 1.631 -4.721 -6.795 1148 H CYS 59 H CYS 59 3.419 -7.181 -12.528 1149 HA CYS 59 HA CYS 59 6.244 -7.468 -11.964 1150 HG CYS 59 HG CYS 59 7.194 -10.177 -12.791 1151 HB2 CYS 59 2HB CYS 59 5.215 -9.009 -10.339 1152 HB3 CYS 59 1HB CYS 59 4.365 -9.820 -11.649 1153 H GLY 60 H GLY 60 3.417 -8.606 -13.754 1154 HA2 GLY 60 2HA GLY 60 3.377 -8.626 -16.146 1155 HA3 GLY 60 1HA GLY 60 5.121 -8.853 -16.133 1156 H ALA 61 H ALA 61 2.266 -10.483 -14.769 1157 HA ALA 61 HA ALA 61 3.261 -12.999 -15.932 1158 HB1 ALA 61 3HB ALA 61 3.764 -12.997 -13.537 1159 HB2 ALA 61 1HB ALA 61 2.537 -14.204 -13.928 1160 HB3 ALA 61 2HB ALA 61 2.067 -12.679 -13.175 1161 H SER 62 H SER 62 1.774 -14.108 -17.042 1162 HA SER 62 HA SER 62 -0.949 -13.013 -17.062 1163 HG SER 62 HG SER 62 1.076 -12.412 -18.726 1164 HB2 SER 62 2HB SER 62 0.423 -14.780 -19.106 1165 HB3 SER 62 1HB SER 62 -1.160 -14.021 -19.276 1166 H VAL 63 H VAL 63 -2.668 -14.203 -16.535 1167 HA VAL 63 HA VAL 63 -2.389 -17.105 -16.266 1168 HB VAL 63 HB VAL 63 -2.024 -16.224 -14.018 1169 HG11 VAL 63 1HG1 VAL 63 -3.146 -14.082 -14.253 1170 HG12 VAL 63 2HG1 VAL 63 -3.728 -14.952 -12.834 1171 HG13 VAL 63 3HG1 VAL 63 -4.712 -14.895 -14.296 1172 HG21 VAL 63 3HG2 VAL 63 -3.798 -17.401 -12.810 1173 HG22 VAL 63 1HG2 VAL 63 -3.226 -18.329 -14.197 1174 HG23 VAL 63 2HG2 VAL 63 -4.761 -17.465 -14.287 1175 HA PRO 64 HA PRO 64 -6.167 -17.196 -18.614 1176 HB2 PRO 64 1HB PRO 64 -6.889 -19.383 -18.544 1177 HB3 PRO 64 2HB PRO 64 -6.801 -19.462 -16.780 1178 HG2 PRO 64 2HG PRO 64 -4.883 -20.648 -17.343 1179 HG3 PRO 64 1HG PRO 64 -4.606 -19.684 -18.806 1180 HD2 PRO 64 2HD PRO 64 -3.937 -19.064 -15.971 1181 HD3 PRO 64 1HD PRO 64 -3.084 -18.612 -17.459 1182 H TRP 65 H TRP 65 -7.982 -16.084 -18.390 1183 HA TRP 65 HA TRP 65 -8.808 -15.134 -15.835 1184 HD1 TRP 65 HD TRP 65 -12.407 -14.579 -18.755 1185 HE1 TRP 65 1HE TRP 65 -12.493 -15.381 -21.194 1186 HE3 TRP 65 3HE TRP 65 -7.397 -15.204 -19.576 1187 HZ2 TRP 65 2HZ TRP 65 -10.678 -16.172 -23.200 1188 HZ3 TRP 65 3HZ TRP 65 -6.661 -15.978 -21.790 1189 HH2 TRP 65 HH TRP 65 -8.265 -16.449 -23.563 1190 HB2 TRP 65 2HB TRP 65 -10.585 -13.950 -17.093 1191 HB3 TRP 65 1HB TRP 65 -8.989 -13.667 -17.767 1192 H LEU 66 H LEU 66 -11.193 -15.242 -15.226 1193 HA LEU 66 HA LEU 66 -12.872 -16.478 -14.355 1194 HG LEU 66 HG LEU 66 -14.925 -17.035 -15.623 1195 HB2 LEU 66 2HB LEU 66 -12.334 -17.975 -16.859 1196 HB3 LEU 66 1HB LEU 66 -13.229 -18.823 -15.614 1197 HD11 LEU 66 1HD1 LEU 66 -13.526 -15.172 -16.316 1198 HD12 LEU 66 2HD1 LEU 66 -14.908 -15.350 -17.400 1199 HD13 LEU 66 3HD1 LEU 66 -13.313 -15.907 -17.903 1200 HD21 LEU 66 3HD2 LEU 66 -14.343 -18.232 -18.329 1201 HD22 LEU 66 1HD2 LEU 66 -15.891 -17.556 -17.819 1202 HD23 LEU 66 2HD2 LEU 66 -15.250 -18.994 -17.022 1203 H GLN 67 H GLN 67 -9.920 -16.884 -13.843 1204 HA GLN 67 HA GLN 67 -10.245 -19.275 -12.154 1205 HB2 GLN 67 2HB GLN 67 -8.499 -19.480 -13.975 1206 HB3 GLN 67 1HB GLN 67 -7.628 -18.162 -13.205 1207 HG2 GLN 67 2HG GLN 67 -6.685 -20.309 -12.601 1208 HG3 GLN 67 1HG GLN 67 -7.365 -19.503 -11.187 1209 HE21 GLN 67 2HE2 GLN 67 -8.856 -23.025 -12.521 1210 HE22 GLN 67 1HE2 GLN 67 -7.698 -22.115 -13.435 1211 H THR 68 H THR 68 -8.953 -19.065 -10.059 1212 HA THR 68 HA THR 68 -9.720 -16.569 -8.893 1213 HB THR 68 HB THR 68 -9.998 -18.625 -7.614 1214 HG1 THR 68 1HG THR 68 -8.354 -16.553 -6.657 1215 HG21 THR 68 3HG2 THR 68 -6.980 -18.756 -7.585 1216 HG22 THR 68 1HG2 THR 68 -8.061 -19.878 -8.410 1217 HG23 THR 68 2HG2 THR 68 -8.065 -19.787 -6.649 1218 H GLY 69 H GLY 69 -6.705 -17.901 -10.051 1219 HA2 GLY 69 2HA GLY 69 -4.756 -16.761 -10.547 1220 HA3 GLY 69 1HA GLY 69 -5.525 -15.288 -9.985 1221 H ASP 70 H ASP 70 -3.136 -15.149 -9.285 1222 HA ASP 70 HA ASP 70 -1.712 -14.811 -7.549 1223 HB2 ASP 70 2HB ASP 70 -3.697 -14.270 -6.193 1224 HB3 ASP 70 1HB ASP 70 -3.893 -15.973 -5.803 1225 H GLU 71 H GLU 71 -3.188 -17.913 -7.919 1226 HA GLU 71 HA GLU 71 -1.565 -19.581 -6.414 1227 HB2 GLU 71 2HB GLU 71 -2.690 -20.186 -9.149 1228 HB3 GLU 71 1HB GLU 71 -2.306 -21.344 -7.882 1229 HG2 GLU 71 2HG GLU 71 -4.132 -20.687 -6.571 1230 HG3 GLU 71 1HG GLU 71 -4.350 -19.189 -7.476 1231 H ILE 72 H ILE 72 -1.034 -18.239 -9.627 1232 HA ILE 72 HA ILE 72 1.240 -19.730 -10.334 1233 HB ILE 72 HB ILE 72 0.070 -18.483 -12.031 1234 HG12 ILE 72 2HG1 ILE 72 2.804 -17.256 -11.592 1235 HG13 ILE 72 1HG1 ILE 72 2.495 -18.808 -12.364 1236 HG21 ILE 72 1HG2 ILE 72 0.848 -15.991 -10.523 1237 HG22 ILE 72 2HG2 ILE 72 -0.777 -16.658 -10.682 1238 HG23 ILE 72 3HG2 ILE 72 0.062 -16.030 -12.101 1239 HD11 ILE 72 3HD1 ILE 72 1.266 -17.654 -14.147 1240 HD12 ILE 72 1HD1 ILE 72 2.939 -17.107 -14.018 1241 HD13 ILE 72 2HD1 ILE 72 1.633 -16.110 -13.378 1242 H LYS 73 H LYS 73 3.395 -19.498 -9.885 1243 HA LYS 73 HA LYS 73 4.068 -17.994 -7.584 1244 HB2 LYS 73 2HB LYS 73 5.666 -19.644 -9.494 1245 HB3 LYS 73 1HB LYS 73 6.497 -18.590 -8.355 1246 HG2 LYS 73 2HG LYS 73 4.759 -20.966 -7.801 1247 HG3 LYS 73 1HG LYS 73 6.392 -20.614 -7.227 1248 HD2 LYS 73 2HD LYS 73 5.435 -18.702 -5.924 1249 HD3 LYS 73 1HD LYS 73 3.830 -19.266 -6.381 1250 HE2 LYS 73 2HE LYS 73 4.054 -20.254 -4.331 1251 HE3 LYS 73 1HE LYS 73 4.676 -21.529 -5.376 1252 HZ1 LYS 73 3HZ LYS 73 6.895 -20.945 -4.838 1253 HZ2 LYS 73 1HZ LYS 73 6.046 -21.034 -3.372 1254 HZ3 LYS 73 2HZ LYS 73 6.410 -19.520 -4.046 1255 H HIS 74 H HIS 74 4.065 -16.005 -7.513 1256 HA HIS 74 HA HIS 74 4.720 -14.297 -9.775 1257 HD1 HIS 74 1HD HIS 74 1.657 -14.915 -6.559 1258 HD2 HIS 74 2HD HIS 74 5.175 -12.910 -5.617 1259 HE1 HIS 74 1HE HIS 74 1.923 -15.142 -4.066 1260 HE2 HIS 74 2HE HIS 74 4.209 -14.174 -3.586 1261 HB2 HIS 74 2HB HIS 74 3.843 -12.512 -8.217 1262 HB3 HIS 74 1HB HIS 74 2.685 -13.796 -8.561 1263 H ALA 75 H ALA 75 5.808 -12.113 -8.899 1264 HA ALA 75 HA ALA 75 8.292 -12.785 -7.587 1265 HB1 ALA 75 3HB ALA 75 8.303 -11.169 -9.403 1266 HB2 ALA 75 1HB ALA 75 8.843 -10.423 -7.901 1267 HB3 ALA 75 2HB ALA 75 7.210 -10.119 -8.500 1268 H ASP 76 H ASP 76 8.388 -12.930 -5.425 1269 HA ASP 76 HA ASP 76 6.228 -12.038 -3.790 1270 HB2 ASP 76 2HB ASP 76 8.920 -13.229 -3.115 1271 HB3 ASP 76 1HB ASP 76 7.693 -12.854 -1.915 1272 H ASP 77 H ASP 77 8.912 -10.509 -5.041 1273 HA ASP 77 HA ASP 77 9.510 -8.627 -3.017 1274 HB2 ASP 77 2HB ASP 77 9.801 -8.480 -6.022 1275 HB3 ASP 77 1HB ASP 77 10.407 -7.249 -4.920 1276 H CYS 78 H CYS 78 6.874 -8.962 -5.191 1277 HA CYS 78 HA CYS 78 6.128 -6.255 -5.475 1278 HG CYS 78 HG CYS 78 5.423 -7.047 -8.367 1279 HB2 CYS 78 2HB CYS 78 4.433 -8.754 -5.610 1280 HB3 CYS 78 1HB CYS 78 3.932 -7.161 -6.163 1281 HA PRO 79 HA PRO 79 4.856 -5.229 -1.355 1282 HB2 PRO 79 1HB PRO 79 4.145 -3.041 -1.534 1283 HB3 PRO 79 2HB PRO 79 3.091 -3.386 -2.911 1284 HG2 PRO 79 2HG PRO 79 4.936 -2.365 -3.954 1285 HG3 PRO 79 1HG PRO 79 6.085 -3.116 -2.831 1286 HD2 PRO 79 2HD PRO 79 4.645 -4.328 -5.159 1287 HD3 PRO 79 1HD PRO 79 6.318 -4.571 -4.613 1288 H VAL 80 H VAL 80 2.573 -6.113 -3.871 1289 HA VAL 80 HA VAL 80 0.234 -6.237 -2.319 1290 HB VAL 80 HB VAL 80 1.046 -7.902 -4.714 1291 HG11 VAL 80 1HG1 VAL 80 -1.306 -8.458 -4.978 1292 HG12 VAL 80 2HG1 VAL 80 -1.699 -7.577 -3.502 1293 HG13 VAL 80 3HG1 VAL 80 -0.709 -9.035 -3.421 1294 HG21 VAL 80 3HG2 VAL 80 0.922 -5.528 -5.207 1295 HG22 VAL 80 1HG2 VAL 80 -0.680 -5.436 -4.474 1296 HG23 VAL 80 2HG2 VAL 80 -0.439 -6.366 -5.951 1297 H VAL 81 H VAL 81 2.947 -8.416 -2.657 1298 HA VAL 81 HA VAL 81 1.698 -10.691 -1.479 1299 HB VAL 81 HB VAL 81 4.653 -10.105 -1.705 1300 HG11 VAL 81 1HG1 VAL 81 4.886 -12.547 -1.689 1301 HG12 VAL 81 2HG1 VAL 81 3.146 -12.707 -1.455 1302 HG13 VAL 81 3HG1 VAL 81 4.136 -11.953 -0.207 1303 HG21 VAL 81 3HG2 VAL 81 3.612 -9.878 -3.875 1304 HG22 VAL 81 1HG2 VAL 81 2.786 -11.421 -3.670 1305 HG23 VAL 81 2HG2 VAL 81 4.542 -11.375 -3.810 1306 H ILE 82 H ILE 82 3.963 -8.238 -0.255 1307 HA ILE 82 HA ILE 82 4.034 -9.315 2.366 1308 HB ILE 82 HB ILE 82 5.798 -7.840 1.517 1309 HG12 ILE 82 2HG1 ILE 82 6.033 -6.395 3.540 1310 HG13 ILE 82 1HG1 ILE 82 4.378 -6.815 3.975 1311 HG21 ILE 82 1HG2 ILE 82 5.490 -5.420 1.436 1312 HG22 ILE 82 2HG2 ILE 82 3.768 -5.647 1.732 1313 HG23 ILE 82 3HG2 ILE 82 4.495 -6.260 0.247 1314 HD11 ILE 82 3HD1 ILE 82 6.003 -8.127 5.219 1315 HD12 ILE 82 1HD1 ILE 82 6.665 -8.749 3.707 1316 HD13 ILE 82 2HD1 ILE 82 5.012 -9.150 4.177 1317 H ALA 83 H ALA 83 2.091 -6.847 0.805 1318 HA ALA 83 HA ALA 83 0.746 -5.868 3.060 1319 HB1 ALA 83 3HB ALA 83 -0.307 -6.079 0.242 1320 HB2 ALA 83 1HB ALA 83 0.682 -4.765 0.877 1321 HB3 ALA 83 2HB ALA 83 -0.937 -5.037 1.518 1322 H LYS 84 H LYS 84 -0.157 -8.519 0.840 1323 HA LYS 84 HA LYS 84 -2.567 -9.114 2.205 1324 HB2 LYS 84 2HB LYS 84 -2.698 -11.102 0.872 1325 HB3 LYS 84 1HB LYS 84 -2.128 -9.791 -0.143 1326 HG2 LYS 84 2HG LYS 84 0.159 -10.641 0.062 1327 HG3 LYS 84 1HG LYS 84 -0.433 -11.967 1.065 1328 HD2 LYS 84 2HD LYS 84 -1.207 -11.431 -1.807 1329 HD3 LYS 84 1HD LYS 84 -0.106 -12.687 -1.243 1330 HE2 LYS 84 2HE LYS 84 -1.966 -13.656 0.082 1331 HE3 LYS 84 1HE LYS 84 -3.046 -12.454 -0.619 1332 HZ1 LYS 84 3HZ LYS 84 -1.605 -14.614 -2.054 1333 HZ2 LYS 84 1HZ LYS 84 -2.453 -13.379 -2.837 1334 HZ3 LYS 84 2HZ LYS 84 -3.274 -14.470 -1.833 1335 H GLN 85 H GLN 85 0.744 -10.061 2.690 1336 HA GLN 85 HA GLN 85 0.237 -12.185 4.520 1337 HB2 GLN 85 2HB GLN 85 2.399 -11.842 3.323 1338 HB3 GLN 85 1HB GLN 85 2.681 -10.414 4.309 1339 HG2 GLN 85 2HG GLN 85 3.940 -12.188 5.244 1340 HG3 GLN 85 1HG GLN 85 2.582 -11.879 6.325 1341 HE21 GLN 85 2HE2 GLN 85 2.995 -15.435 4.421 1342 HE22 GLN 85 1HE2 GLN 85 4.007 -14.076 4.069 1343 H ILE 86 H ILE 86 0.666 -8.712 4.803 1344 HA ILE 86 HA ILE 86 0.746 -8.618 7.643 1345 HB ILE 86 HB ILE 86 0.108 -6.493 5.592 1346 HG12 ILE 86 2HG1 ILE 86 2.566 -6.977 7.290 1347 HG13 ILE 86 1HG1 ILE 86 2.415 -7.381 5.585 1348 HG21 ILE 86 1HG2 ILE 86 0.540 -6.157 8.556 1349 HG22 ILE 86 2HG2 ILE 86 -0.981 -5.923 7.696 1350 HG23 ILE 86 3HG2 ILE 86 0.385 -4.849 7.384 1351 HD11 ILE 86 3HD1 ILE 86 3.667 -5.318 5.921 1352 HD12 ILE 86 1HD1 ILE 86 2.281 -4.608 6.749 1353 HD13 ILE 86 2HD1 ILE 86 2.169 -5.022 5.038 1354 H LEU 87 H LEU 87 -1.865 -8.150 5.258 1355 HA LEU 87 HA LEU 87 -3.812 -7.638 7.307 1356 HG LEU 87 HG LEU 87 -3.196 -8.635 3.785 1357 HB2 LEU 87 2HB LEU 87 -5.468 -7.693 5.493 1358 HB3 LEU 87 1HB LEU 87 -4.130 -6.619 5.154 1359 HD11 LEU 87 1HD1 LEU 87 -4.845 -10.273 4.533 1360 HD12 LEU 87 2HD1 LEU 87 -4.928 -10.025 2.789 1361 HD13 LEU 87 3HD1 LEU 87 -6.135 -9.290 3.842 1362 HD21 LEU 87 3HD2 LEU 87 -3.874 -6.494 2.843 1363 HD22 LEU 87 1HD2 LEU 87 -5.559 -7.014 2.851 1364 HD23 LEU 87 2HD2 LEU 87 -4.389 -7.829 1.812 1365 H SER 88 H SER 88 -2.333 -10.406 6.212 1366 HA SER 88 HA SER 88 -4.435 -12.283 6.482 1367 HG SER 88 HG SER 88 -1.959 -14.669 7.208 1368 HB2 SER 88 2HB SER 88 -2.299 -12.803 5.338 1369 HB3 SER 88 1HB SER 88 -1.456 -12.675 6.880 1370 H SER 89 H SER 89 -5.581 -12.435 8.282 1371 HA SER 89 HA SER 89 -4.169 -12.514 10.848 1372 HG SER 89 HG SER 89 -6.207 -10.471 8.983 1373 HB2 SER 89 2HB SER 89 -6.284 -11.237 11.722 1374 HB3 SER 89 1HB SER 89 -4.981 -10.331 10.950 1375 H ARG 90 H ARG 90 -5.634 -13.386 12.602 1376 HA ARG 90 HA ARG 90 -6.776 -15.840 11.715 1377 HE ARG 90 HE ARG 90 -2.920 -16.180 15.277 1378 HB2 ARG 90 2HB ARG 90 -6.849 -14.519 14.431 1379 HB3 ARG 90 1HB ARG 90 -7.355 -16.172 14.099 1380 HG2 ARG 90 2HG ARG 90 -5.065 -16.675 13.321 1381 HG3 ARG 90 1HG ARG 90 -4.583 -15.042 13.782 1382 HD2 ARG 90 2HD ARG 90 -5.208 -15.518 16.097 1383 HD3 ARG 90 1HD ARG 90 -5.684 -17.154 15.632 1384 HH11 ARG 90 1HH1 ARG 90 -5.202 -18.558 16.488 1385 HH12 ARG 90 2HH1 ARG 90 -3.958 -19.678 16.972 1386 HH21 ARG 90 2HH2 ARG 90 -1.755 -19.152 16.661 1387 HH22 ARG 90 1HH2 ARG 90 -1.310 -17.647 15.917 1388 HA PRO 91 HA PRO 91 -10.600 -13.926 10.584 1389 HB2 PRO 91 1HB PRO 91 -11.328 -15.321 8.958 1390 HB3 PRO 91 2HB PRO 91 -11.556 -16.653 10.096 1391 HG2 PRO 91 2HG PRO 91 -9.720 -17.484 8.972 1392 HG3 PRO 91 1HG PRO 91 -9.128 -15.865 8.557 1393 HD2 PRO 91 2HD PRO 91 -8.850 -17.387 11.119 1394 HD3 PRO 91 1HD PRO 91 -7.661 -16.379 10.266 1395 H LYS 92 H LYS 92 -11.379 -13.233 12.591 1396 HA LYS 92 HA LYS 92 -12.998 -15.045 14.155 1397 HB2 LYS 92 2HB LYS 92 -12.826 -12.020 14.220 1398 HB3 LYS 92 1HB LYS 92 -13.690 -13.013 15.385 1399 HG2 LYS 92 2HG LYS 92 -11.504 -14.113 15.931 1400 HG3 LYS 92 1HG LYS 92 -10.723 -12.897 14.921 1401 HD2 LYS 92 2HD LYS 92 -11.631 -11.130 16.349 1402 HD3 LYS 92 1HD LYS 92 -12.415 -12.349 17.358 1403 HE2 LYS 92 2HE LYS 92 -10.157 -13.326 17.792 1404 HE3 LYS 92 1HE LYS 92 -9.456 -11.954 16.935 1405 HZ1 LYS 92 3HZ LYS 92 -10.530 -10.482 18.573 1406 HZ2 LYS 92 1HZ LYS 92 -9.410 -11.542 19.282 1407 HZ3 LYS 92 2HZ LYS 92 -11.071 -11.847 19.424 1408 H LEU 93 H LEU 93 -15.345 -14.879 14.274 1409 HA LEU 93 HA LEU 93 -17.357 -15.064 13.222 1410 HG LEU 93 HG LEU 93 -18.321 -13.873 10.445 1411 HB2 LEU 93 2HB LEU 93 -17.197 -12.609 12.950 1412 HB3 LEU 93 1HB LEU 93 -16.315 -12.833 11.455 1413 HD11 LEU 93 1HD1 LEU 93 -20.464 -13.720 11.602 1414 HD12 LEU 93 2HD1 LEU 93 -19.647 -13.106 13.040 1415 HD13 LEU 93 3HD1 LEU 93 -19.335 -14.750 12.481 1416 HD21 LEU 93 3HD2 LEU 93 -18.733 -11.143 11.652 1417 HD22 LEU 93 1HD2 LEU 93 -19.651 -11.808 10.303 1418 HD23 LEU 93 2HD2 LEU 93 -17.922 -11.508 10.130 1419 H HIS 94 H HIS 94 -18.274 -15.589 10.855 1420 HA HIS 94 HA HIS 94 -16.297 -17.409 9.728 1421 HD1 HIS 94 1HD HIS 94 -16.550 -19.905 9.208 1422 HD2 HIS 94 2HD HIS 94 -19.460 -18.420 6.636 1423 HE1 HIS 94 1HE HIS 94 -16.440 -21.350 7.151 1424 HE2 HIS 94 2HE HIS 94 -18.299 -20.522 5.662 1425 HB2 HIS 94 2HB HIS 94 -18.555 -18.293 10.274 1426 HB3 HIS 94 1HB HIS 94 -19.238 -17.219 9.055 1427 H ALA 95 H ALA 95 -15.074 -16.698 8.167 1428 HA ALA 95 HA ALA 95 -16.240 -14.917 6.135 1429 HB1 ALA 95 3HB ALA 95 -14.374 -13.905 7.359 1430 HB2 ALA 95 1HB ALA 95 -13.962 -14.167 5.664 1431 HB3 ALA 95 2HB ALA 95 -13.340 -15.258 6.903 1432 H VAL 96 H VAL 96 -15.597 -15.311 3.933 1433 HA VAL 96 HA VAL 96 -14.300 -17.784 3.263 1434 HB VAL 96 HB VAL 96 -16.475 -18.713 3.666 1435 HG11 VAL 96 1HG1 VAL 96 -18.498 -17.930 2.534 1436 HG12 VAL 96 2HG1 VAL 96 -17.590 -16.582 1.852 1437 HG13 VAL 96 3HG1 VAL 96 -17.820 -16.697 3.598 1438 HG21 VAL 96 3HG2 VAL 96 -17.071 -19.570 1.436 1439 HG22 VAL 96 1HG2 VAL 96 -15.330 -19.592 1.720 1440 HG23 VAL 96 2HG2 VAL 96 -16.042 -18.338 0.705 Start of MODEL 7 1 HA MET 1 HA MET 1 2.583 7.513 -11.225 2 H1 MET 1 1H MET 1 3.180 7.222 -13.500 3 H2 MET 1 2H MET 1 3.715 8.828 -13.621 4 H3 MET 1 3H MET 1 2.066 8.501 -13.377 5 HB2 MET 1 2HB MET 1 4.908 6.885 -11.743 6 HB3 MET 1 1HB MET 1 5.360 8.581 -11.796 7 HG2 MET 1 2HG MET 1 4.828 8.810 -9.434 8 HG3 MET 1 1HG MET 1 4.318 7.123 -9.374 9 HE1 MET 1 3HE MET 1 5.930 6.555 -7.369 10 HE2 MET 1 1HE MET 1 6.390 8.256 -7.317 11 HE3 MET 1 2HE MET 1 7.634 7.004 -7.328 12 H GLY 2 H GLY 2 4.082 10.506 -12.499 13 HA2 GLY 2 2HA GLY 2 2.157 12.090 -11.055 14 HA3 GLY 2 1HA GLY 2 3.775 12.185 -10.374 15 H SER 3 H SER 3 2.792 14.492 -11.171 16 HA SER 3 HA SER 3 3.415 15.093 -13.910 17 HG SER 3 HG SER 3 1.721 17.045 -10.914 18 HB2 SER 3 2HB SER 3 3.088 17.489 -13.035 19 HB3 SER 3 1HB SER 3 1.696 16.410 -12.936 20 H SER 4 H SER 4 5.035 15.165 -10.853 21 HA SER 4 HA SER 4 7.361 16.536 -11.974 22 HG SER 4 HG SER 4 8.421 17.602 -9.012 23 HB2 SER 4 2HB SER 4 6.474 17.289 -9.778 24 HB3 SER 4 1HB SER 4 6.775 15.683 -9.123 25 H HIS 5 H HIS 5 9.399 15.536 -12.043 26 HA HIS 5 HA HIS 5 9.281 12.695 -12.426 27 HD1 HIS 5 1HD HIS 5 13.568 13.256 -11.712 28 HD2 HIS 5 2HD HIS 5 11.452 16.704 -12.685 29 HE1 HIS 5 1HE HIS 5 15.014 15.171 -10.968 30 HE2 HIS 5 2HE HIS 5 13.784 17.247 -11.699 31 HB2 HIS 5 2HB HIS 5 11.558 12.812 -13.180 32 HB3 HIS 5 1HB HIS 5 10.701 14.192 -13.847 33 H HIS 6 H HIS 6 9.601 11.178 -10.993 34 HA HIS 6 HA HIS 6 11.356 11.694 -8.701 35 HD1 HIS 6 1HD HIS 6 9.897 11.787 -5.471 36 HD2 HIS 6 2HD HIS 6 8.095 13.538 -8.789 37 HE1 HIS 6 1HE HIS 6 9.147 14.067 -4.718 38 HE2 HIS 6 2HE HIS 6 7.872 15.015 -6.672 39 HB2 HIS 6 2HB HIS 6 8.539 10.629 -8.621 40 HB3 HIS 6 1HB HIS 6 9.699 10.206 -7.368 41 H HIS 7 H HIS 7 12.501 9.899 -7.965 42 HA HIS 7 HA HIS 7 12.120 7.400 -9.455 43 HD1 HIS 7 1HD HIS 7 14.722 10.898 -9.402 44 HD2 HIS 7 2HD HIS 7 16.468 7.389 -8.020 45 HE1 HIS 7 1HE HIS 7 16.715 11.619 -8.052 46 HE2 HIS 7 2HE HIS 7 17.874 9.474 -7.422 47 HB2 HIS 7 2HB HIS 7 14.486 7.180 -9.933 48 HB3 HIS 7 1HB HIS 7 13.906 8.699 -10.599 49 H HIS 8 H HIS 8 12.654 5.550 -8.342 50 HA HIS 8 HA HIS 8 14.029 5.668 -5.815 51 HD1 HIS 8 1HD HIS 8 11.540 2.875 -4.092 52 HD2 HIS 8 2HD HIS 8 13.148 6.524 -2.901 53 HE1 HIS 8 1HE HIS 8 12.220 2.569 -1.687 54 HE2 HIS 8 2HE HIS 8 13.293 4.755 -1.019 55 HB2 HIS 8 2HB HIS 8 11.639 6.375 -5.303 56 HB3 HIS 8 1HB HIS 8 11.150 4.750 -5.768 57 H HIS 9 H HIS 9 15.314 3.973 -5.995 58 HA HIS 9 HA HIS 9 14.820 1.872 -7.837 59 HD1 HIS 9 1HD HIS 9 18.125 -0.126 -5.362 60 HD2 HIS 9 2HD HIS 9 16.484 3.502 -4.151 61 HE1 HIS 9 1HE HIS 9 18.734 0.120 -2.936 62 HE2 HIS 9 2HE HIS 9 17.909 2.406 -2.285 63 HB2 HIS 9 2HB HIS 9 16.918 0.968 -7.191 64 HB3 HIS 9 1HB HIS 9 17.099 2.712 -7.101 65 H HIS 10 H HIS 10 14.649 -0.402 -7.377 66 HA HIS 10 HA HIS 10 12.658 -0.940 -5.388 67 HD1 HIS 10 1HD HIS 10 10.922 -3.947 -7.403 68 HD2 HIS 10 2HD HIS 10 12.439 -0.256 -8.600 69 HE1 HIS 10 1HE HIS 10 9.232 -2.998 -9.004 70 HE2 HIS 10 2HE HIS 10 10.286 -0.890 -9.889 71 HB2 HIS 10 2HB HIS 10 14.097 -2.676 -7.388 72 HB3 HIS 10 1HB HIS 10 13.002 -3.360 -6.194 73 H SER 11 H SER 11 13.882 -0.330 -3.507 74 HA SER 11 HA SER 11 15.978 -2.114 -2.638 75 HG SER 11 HG SER 11 15.824 -0.675 0.476 76 HB2 SER 11 2HB SER 11 15.855 0.339 -2.007 77 HB3 SER 11 1HB SER 11 14.472 -0.064 -0.991 78 H SER 12 H SER 12 15.170 -4.148 -2.478 79 HA SER 12 HA SER 12 12.546 -4.653 -1.389 80 HG SER 12 HG SER 12 12.568 -5.855 -3.861 81 HB2 SER 12 2HB SER 12 14.675 -6.654 -2.174 82 HB3 SER 12 1HB SER 12 12.942 -6.943 -2.022 83 H GLY 13 H GLY 13 14.079 -3.429 0.546 84 HA2 GLY 13 2HA GLY 13 15.081 -5.476 2.350 85 HA3 GLY 13 1HA GLY 13 15.032 -3.742 2.655 86 H ARG 14 H ARG 14 14.291 -5.343 4.694 87 HA ARG 14 HA ARG 14 11.606 -4.528 5.145 88 HE ARG 14 HE ARG 14 14.049 -9.725 4.814 89 HB2 ARG 14 2HB ARG 14 10.707 -6.860 5.551 90 HB3 ARG 14 1HB ARG 14 10.926 -6.406 3.869 91 HG2 ARG 14 2HG ARG 14 11.739 -8.559 3.908 92 HG3 ARG 14 1HG ARG 14 13.212 -7.609 4.096 93 HD2 ARG 14 2HD ARG 14 13.008 -7.925 6.564 94 HD3 ARG 14 1HD ARG 14 11.663 -9.025 6.260 95 HH11 ARG 14 1HH1 ARG 14 12.351 -10.043 7.863 96 HH12 ARG 14 2HH1 ARG 14 13.219 -11.464 8.352 97 HH21 ARG 14 2HH2 ARG 14 14.836 -12.363 6.977 98 HH22 ARG 14 1HH2 ARG 14 15.189 -11.618 5.439 99 H GLU 15 H GLU 15 11.069 -4.499 7.268 100 HA GLU 15 HA GLU 15 12.693 -6.056 9.154 101 HB2 GLU 15 2HB GLU 15 13.537 -3.676 9.037 102 HB3 GLU 15 1HB GLU 15 11.967 -3.156 9.623 103 HG2 GLU 15 2HG GLU 15 12.299 -4.202 11.720 104 HG3 GLU 15 1HG GLU 15 13.714 -5.077 11.134 105 H ASN 16 H ASN 16 10.869 -7.408 9.035 106 HA ASN 16 HA ASN 16 8.232 -6.399 9.255 107 HB2 ASN 16 2HB ASN 16 7.623 -8.862 9.337 108 HB3 ASN 16 1HB ASN 16 8.490 -8.309 7.912 109 HD21 ASN 16 2HD2 ASN 16 10.022 -11.185 10.271 110 HD22 ASN 16 1HD2 ASN 16 8.498 -10.433 10.587 111 H LEU 17 H LEU 17 7.745 -5.436 11.100 112 HA LEU 17 HA LEU 17 7.273 -7.239 13.354 113 HG LEU 17 HG LEU 17 10.125 -6.185 13.400 114 HB2 LEU 17 2HB LEU 17 8.395 -4.439 13.508 115 HB3 LEU 17 1HB LEU 17 7.662 -5.250 14.878 116 HD11 LEU 17 1HD1 LEU 17 11.326 -5.571 15.415 117 HD12 LEU 17 2HD1 LEU 17 9.834 -4.982 16.146 118 HD13 LEU 17 3HD1 LEU 17 10.502 -4.167 14.733 119 HD21 LEU 17 3HD2 LEU 17 8.826 -8.043 14.292 120 HD22 LEU 17 1HD2 LEU 17 8.787 -7.270 15.876 121 HD23 LEU 17 2HD2 LEU 17 10.320 -7.823 15.201 122 H TYR 18 H TYR 18 5.247 -7.030 14.194 123 HA TYR 18 HA TYR 18 3.387 -5.546 12.579 124 HD1 TYR 18 1HD TYR 18 2.245 -7.009 11.323 125 HD2 TYR 18 2HD TYR 18 0.156 -6.946 15.033 126 HE1 TYR 18 1HE TYR 18 0.109 -6.985 10.111 127 HE2 TYR 18 2HE TYR 18 -1.990 -6.923 13.823 128 HH TYR 18 HH TYR 18 -2.183 -7.467 10.404 129 HB2 TYR 18 2HB TYR 18 3.175 -7.923 13.790 130 HB3 TYR 18 1HB TYR 18 2.477 -6.919 15.058 131 H PHE 19 H PHE 19 1.413 -4.780 14.309 132 HA PHE 19 HA PHE 19 2.469 -2.241 15.080 133 HD1 PHE 19 1HD PHE 19 0.956 -0.498 13.453 134 HD2 PHE 19 2HD PHE 19 -0.745 -4.394 13.392 135 HE1 PHE 19 1HE PHE 19 0.603 -0.302 11.028 136 HE2 PHE 19 2HE PHE 19 -1.103 -4.205 10.967 137 HZ PHE 19 HZ PHE 19 -0.427 -2.160 9.783 138 HB2 PHE 19 2HB PHE 19 -0.325 -3.326 15.450 139 HB3 PHE 19 1HB PHE 19 0.160 -1.634 15.522 140 H GLN 20 H GLN 20 1.494 -1.279 17.195 141 HA GLN 20 HA GLN 20 1.537 -1.134 19.453 142 HB2 GLN 20 2HB GLN 20 0.152 -3.167 19.524 143 HB3 GLN 20 1HB GLN 20 1.600 -4.160 19.444 144 HG2 GLN 20 2HG GLN 20 2.345 -3.140 21.579 145 HG3 GLN 20 1HG GLN 20 0.794 -2.309 21.672 146 HE21 GLN 20 2HE2 GLN 20 -0.746 -5.767 21.750 147 HE22 GLN 20 1HE2 GLN 20 -0.638 -4.581 20.497 148 H GLY 21 H GLY 21 3.668 -3.762 18.359 149 HA2 GLY 21 2HA GLY 21 5.890 -2.381 19.738 150 HA3 GLY 21 1HA GLY 21 5.809 -4.129 19.543 151 H MET 22 H MET 22 5.756 -1.141 17.633 152 HA MET 22 HA MET 22 6.673 -2.572 15.279 153 HB2 MET 22 2HB MET 22 6.171 0.391 15.627 154 HB3 MET 22 1HB MET 22 6.393 -0.459 14.106 155 HG2 MET 22 2HG MET 22 4.315 -1.761 14.655 156 HG3 MET 22 1HG MET 22 4.071 -0.650 16.002 157 HE1 MET 22 3HE MET 22 5.411 -0.102 12.331 158 HE2 MET 22 1HE MET 22 3.955 0.497 11.535 159 HE3 MET 22 2HE MET 22 4.012 -1.158 12.142 160 H THR 23 H THR 23 8.245 -0.750 14.028 161 HA THR 23 HA THR 23 10.444 -0.009 15.745 162 HB THR 23 HB THR 23 10.810 -2.433 15.223 163 HG1 THR 23 1HG THR 23 12.679 -1.441 15.663 164 HG21 THR 23 3HG2 THR 23 11.508 -3.057 12.962 165 HG22 THR 23 1HG2 THR 23 11.141 -1.428 12.396 166 HG23 THR 23 2HG2 THR 23 9.845 -2.473 12.979 167 H ASP 24 H ASP 24 12.362 0.516 13.865 168 HA ASP 24 HA ASP 24 11.320 2.959 12.840 169 HB2 ASP 24 2HB ASP 24 13.604 2.781 13.691 170 HB3 ASP 24 1HB ASP 24 14.015 1.659 12.399 171 H THR 25 H THR 25 12.616 0.057 11.190 172 HA THR 25 HA THR 25 12.138 1.184 8.594 173 HB THR 25 HB THR 25 12.585 -1.750 9.034 174 HG1 THR 25 1HG THR 25 14.178 -1.020 10.309 175 HG21 THR 25 3HG2 THR 25 12.286 -0.928 6.746 176 HG22 THR 25 1HG2 THR 25 13.928 -1.518 6.997 177 HG23 THR 25 2HG2 THR 25 13.608 0.216 6.980 178 H ALA 26 H ALA 26 10.117 -0.230 10.852 179 HA ALA 26 HA ALA 26 8.392 -1.809 9.296 180 HB1 ALA 26 3HB ALA 26 8.341 -1.801 11.744 181 HB2 ALA 26 1HB ALA 26 6.745 -1.467 11.075 182 HB3 ALA 26 2HB ALA 26 7.720 -0.152 11.733 183 H ALA 27 H ALA 27 8.652 1.651 9.745 184 HA ALA 27 HA ALA 27 6.187 2.336 8.486 185 HB1 ALA 27 3HB ALA 27 7.358 3.877 9.991 186 HB2 ALA 27 1HB ALA 27 7.088 4.597 8.404 187 HB3 ALA 27 2HB ALA 27 8.685 3.988 8.834 188 H GLU 28 H GLU 28 9.414 1.634 7.398 189 HA GLU 28 HA GLU 28 9.085 2.660 4.749 190 HB2 GLU 28 2HB GLU 28 11.297 2.488 5.786 191 HB3 GLU 28 1HB GLU 28 11.132 0.739 5.878 192 HG2 GLU 28 2HG GLU 28 11.057 0.618 3.442 193 HG3 GLU 28 1HG GLU 28 11.231 2.372 3.351 194 H ASP 29 H ASP 29 8.720 -0.482 6.310 195 HA ASP 29 HA ASP 29 8.356 -2.032 3.998 196 HB2 ASP 29 2HB ASP 29 7.613 -2.328 6.866 197 HB3 ASP 29 1HB ASP 29 6.773 -3.355 5.708 198 H VAL 30 H VAL 30 6.015 -0.205 5.932 199 HA VAL 30 HA VAL 30 3.827 -0.858 4.207 200 HB VAL 30 HB VAL 30 3.978 1.509 6.082 201 HG11 VAL 30 1HG1 VAL 30 1.554 1.258 6.178 202 HG12 VAL 30 2HG1 VAL 30 1.646 -0.105 5.063 203 HG13 VAL 30 3HG1 VAL 30 2.103 1.510 4.521 204 HG21 VAL 30 3HG2 VAL 30 3.141 -1.319 6.722 205 HG22 VAL 30 1HG2 VAL 30 3.003 0.069 7.801 206 HG23 VAL 30 2HG2 VAL 30 4.594 -0.511 7.308 207 H ARG 31 H ARG 31 6.231 1.690 4.371 208 HA ARG 31 HA ARG 31 5.105 3.455 2.495 209 HE ARG 31 HE ARG 31 9.937 3.866 2.725 210 HB2 ARG 31 2HB ARG 31 6.977 4.110 3.915 211 HB3 ARG 31 1HB ARG 31 8.012 2.918 3.143 212 HG2 ARG 31 2HG ARG 31 7.982 4.122 1.083 213 HG3 ARG 31 1HG ARG 31 6.748 5.227 1.691 214 HD2 ARG 31 2HD ARG 31 8.920 6.296 1.735 215 HD3 ARG 31 1HD ARG 31 8.334 6.047 3.377 216 HH11 ARG 31 1HH1 ARG 31 10.279 7.323 3.137 217 HH12 ARG 31 2HH1 ARG 31 11.923 7.232 3.680 218 HH21 ARG 31 2HH2 ARG 31 12.965 5.189 3.880 219 HH22 ARG 31 1HH2 ARG 31 12.120 3.737 3.459 220 H LYS 32 H LYS 32 6.889 0.478 2.145 221 HA LYS 32 HA LYS 32 7.650 0.651 -0.527 222 HB2 LYS 32 2HB LYS 32 7.022 -1.670 1.263 223 HB3 LYS 32 1HB LYS 32 7.383 -1.937 -0.433 224 HG2 LYS 32 2HG LYS 32 9.507 -0.552 0.028 225 HG3 LYS 32 1HG LYS 32 9.161 -0.886 1.727 226 HD2 LYS 32 2HD LYS 32 9.412 -2.995 -0.414 227 HD3 LYS 32 1HD LYS 32 10.718 -2.521 0.671 228 HE2 LYS 32 2HE LYS 32 8.059 -3.467 1.701 229 HE3 LYS 32 1HE LYS 32 9.348 -4.593 1.283 230 HZ1 LYS 32 3HZ LYS 32 10.771 -3.600 2.898 231 HZ2 LYS 32 1HZ LYS 32 9.302 -3.964 3.663 232 HZ3 LYS 32 2HZ LYS 32 9.661 -2.367 3.219 233 H ILE 33 H ILE 33 4.589 -0.594 0.837 234 HA ILE 33 HA ILE 33 3.561 -1.359 -1.704 235 HB ILE 33 HB ILE 33 1.395 -1.630 -0.636 236 HG12 ILE 33 2HG1 ILE 33 2.662 -0.420 1.832 237 HG13 ILE 33 1HG1 ILE 33 1.459 0.372 0.819 238 HG21 ILE 33 1HG2 ILE 33 2.027 -3.285 1.054 239 HG22 ILE 33 2HG2 ILE 33 3.658 -2.617 1.090 240 HG23 ILE 33 3HG2 ILE 33 3.054 -3.386 -0.376 241 HD11 ILE 33 3HD1 ILE 33 -0.165 -1.347 1.392 242 HD12 ILE 33 1HD1 ILE 33 0.466 -0.552 2.834 243 HD13 ILE 33 2HD1 ILE 33 1.042 -2.158 2.391 244 H ALA 34 H ALA 34 3.348 1.567 0.222 245 HA ALA 34 HA ALA 34 1.414 2.898 -1.345 246 HB1 ALA 34 3HB ALA 34 3.612 4.092 0.341 247 HB2 ALA 34 1HB ALA 34 2.020 3.602 0.927 248 HB3 ALA 34 2HB ALA 34 2.166 4.923 -0.231 249 H THR 35 H THR 35 4.961 2.945 -1.402 250 HA THR 35 HA THR 35 5.264 4.802 -3.486 251 HB THR 35 HB THR 35 7.134 2.509 -2.855 252 HG1 THR 35 1HG THR 35 6.638 3.732 -0.963 253 HG21 THR 35 3HG2 THR 35 8.873 4.031 -3.671 254 HG22 THR 35 1HG2 THR 35 7.645 5.245 -4.031 255 HG23 THR 35 2HG2 THR 35 7.664 3.720 -4.917 256 H ALA 36 H ALA 36 4.742 1.334 -3.462 257 HA ALA 36 HA ALA 36 5.347 0.837 -6.173 258 HB1 ALA 36 3HB ALA 36 5.284 -0.923 -4.487 259 HB2 ALA 36 1HB ALA 36 4.212 -1.289 -5.838 260 HB3 ALA 36 2HB ALA 36 3.542 -0.700 -4.316 261 H LEU 37 H LEU 37 2.262 1.540 -4.518 262 HA LEU 37 HA LEU 37 0.721 1.112 -6.864 263 HG LEU 37 HG LEU 37 0.748 3.297 -3.872 264 HB2 LEU 37 2HB LEU 37 -1.160 1.843 -5.612 265 HB3 LEU 37 1HB LEU 37 -0.164 0.866 -4.563 266 HD11 LEU 37 1HD1 LEU 37 -0.727 4.488 -5.402 267 HD12 LEU 37 2HD1 LEU 37 -1.130 4.853 -3.725 268 HD13 LEU 37 3HD1 LEU 37 -2.132 3.734 -4.650 269 HD21 LEU 37 3HD2 LEU 37 -1.746 1.960 -2.828 270 HD22 LEU 37 1HD2 LEU 37 -0.807 3.182 -1.973 271 HD23 LEU 37 2HD2 LEU 37 -0.087 1.615 -2.337 272 H LEU 38 H LEU 38 2.316 3.906 -5.491 273 HA LEU 38 HA LEU 38 1.125 5.830 -7.218 274 HG LEU 38 HG LEU 38 2.740 8.009 -4.766 275 HB2 LEU 38 2HB LEU 38 3.486 5.746 -5.429 276 HB3 LEU 38 1HB LEU 38 3.549 6.913 -6.731 277 HD11 LEU 38 1HD1 LEU 38 0.601 8.861 -5.544 278 HD12 LEU 38 2HD1 LEU 38 0.437 7.488 -6.639 279 HD13 LEU 38 3HD1 LEU 38 1.725 8.667 -6.890 280 HD21 LEU 38 3HD2 LEU 38 1.949 6.078 -3.524 281 HD22 LEU 38 1HD2 LEU 38 0.603 5.886 -4.649 282 HD23 LEU 38 2HD2 LEU 38 0.695 7.313 -3.618 283 H LYS 39 H LYS 39 3.819 3.628 -7.483 284 HA LYS 39 HA LYS 39 4.921 4.767 -9.846 285 HB2 LYS 39 2HB LYS 39 6.352 3.468 -8.435 286 HB3 LYS 39 1HB LYS 39 5.279 2.079 -8.518 287 HG2 LYS 39 2HG LYS 39 7.328 1.828 -9.868 288 HG3 LYS 39 1HG LYS 39 5.849 1.706 -10.818 289 HD2 LYS 39 2HD LYS 39 6.133 4.010 -11.573 290 HD3 LYS 39 1HD LYS 39 7.595 4.160 -10.596 291 HE2 LYS 39 2HE LYS 39 8.743 2.551 -11.916 292 HE3 LYS 39 1HE LYS 39 7.261 2.087 -12.748 293 HZ1 LYS 39 3HZ LYS 39 7.207 4.131 -13.895 294 HZ2 LYS 39 1HZ LYS 39 8.794 3.556 -14.029 295 HZ3 LYS 39 2HZ LYS 39 8.436 4.805 -12.937 296 H THR 40 H THR 40 3.051 1.752 -9.326 297 HA THR 40 HA THR 40 1.615 2.184 -11.756 298 HB THR 40 HB THR 40 3.499 1.422 -12.895 299 HG1 THR 40 1HG THR 40 1.887 -0.901 -12.567 300 HG21 THR 40 3HG2 THR 40 4.721 -0.643 -12.376 301 HG22 THR 40 1HG2 THR 40 3.680 -0.904 -10.976 302 HG23 THR 40 2HG2 THR 40 4.765 0.486 -11.021 303 H ALA 41 H ALA 41 -0.026 2.007 -10.201 304 HA ALA 41 HA ALA 41 -0.789 -0.804 -9.718 305 HB1 ALA 41 3HB ALA 41 -2.267 -0.009 -7.954 306 HB2 ALA 41 1HB ALA 41 -1.809 1.657 -8.298 307 HB3 ALA 41 2HB ALA 41 -0.614 0.531 -7.651 308 H ILE 42 H ILE 42 -1.095 1.456 -11.894 309 HA ILE 42 HA ILE 42 -3.994 1.211 -12.301 310 HB ILE 42 HB ILE 42 -2.095 3.140 -13.649 311 HG12 ILE 42 2HG1 ILE 42 -3.934 3.673 -11.304 312 HG13 ILE 42 1HG1 ILE 42 -2.184 3.504 -11.188 313 HG21 ILE 42 1HG2 ILE 42 -5.101 3.082 -13.445 314 HG22 ILE 42 2HG2 ILE 42 -4.145 2.712 -14.879 315 HG23 ILE 42 3HG2 ILE 42 -4.149 4.347 -14.221 316 HD11 ILE 42 3HD1 ILE 42 -3.651 5.626 -12.740 317 HD12 ILE 42 1HD1 ILE 42 -1.900 5.469 -12.598 318 HD13 ILE 42 2HD1 ILE 42 -2.871 5.838 -11.173 319 H GLU 43 H GLU 43 -4.736 0.091 -14.041 320 HA GLU 43 HA GLU 43 -2.675 -1.016 -15.834 321 HB2 GLU 43 2HB GLU 43 -3.986 -2.663 -14.522 322 HB3 GLU 43 1HB GLU 43 -5.455 -2.080 -15.291 323 HG2 GLU 43 2HG GLU 43 -4.653 -4.155 -16.299 324 HG3 GLU 43 1HG GLU 43 -4.655 -2.824 -17.454 325 H ILE 44 H ILE 44 -3.182 -1.250 -18.089 326 HA ILE 44 HA ILE 44 -4.861 0.949 -19.029 327 HB ILE 44 HB ILE 44 -3.692 0.238 -21.289 328 HG12 ILE 44 2HG1 ILE 44 -1.239 -0.264 -20.720 329 HG13 ILE 44 1HG1 ILE 44 -1.837 -0.829 -19.169 330 HG21 ILE 44 1HG2 ILE 44 -3.563 2.430 -20.251 331 HG22 ILE 44 2HG2 ILE 44 -1.992 1.936 -20.880 332 HG23 ILE 44 3HG2 ILE 44 -2.316 1.845 -19.149 333 HD11 ILE 44 3HD1 ILE 44 -3.190 -2.510 -20.301 334 HD12 ILE 44 1HD1 ILE 44 -1.485 -2.663 -20.727 335 HD13 ILE 44 2HD1 ILE 44 -2.615 -1.922 -21.860 336 H VAL 45 H VAL 45 -6.682 0.638 -20.091 337 HA VAL 45 HA VAL 45 -7.292 -2.079 -21.017 338 HB VAL 45 HB VAL 45 -9.696 -1.314 -21.037 339 HG11 VAL 45 1HG1 VAL 45 -8.265 -1.347 -18.385 340 HG12 VAL 45 2HG1 VAL 45 -8.819 -2.755 -19.290 341 HG13 VAL 45 3HG1 VAL 45 -9.993 -1.619 -18.624 342 HG21 VAL 45 3HG2 VAL 45 -10.296 0.600 -19.628 343 HG22 VAL 45 1HG2 VAL 45 -9.325 1.097 -21.012 344 HG23 VAL 45 2HG2 VAL 45 -8.587 0.977 -19.416 345 H SER 46 H SER 46 -7.186 -2.378 -23.107 346 HA SER 46 HA SER 46 -7.016 -0.071 -24.856 347 HG SER 46 HG SER 46 -7.076 -1.659 -27.315 348 HB2 SER 46 2HB SER 46 -5.359 -1.886 -25.067 349 HB3 SER 46 1HB SER 46 -6.649 -3.011 -25.484 350 H GLU 47 H GLU 47 -8.441 0.471 -26.350 351 HA GLU 47 HA GLU 47 -11.074 -0.772 -26.256 352 HB2 GLU 47 2HB GLU 47 -10.117 1.621 -27.841 353 HB3 GLU 47 1HB GLU 47 -11.787 1.134 -27.603 354 HG2 GLU 47 2HG GLU 47 -9.974 1.915 -25.345 355 HG3 GLU 47 1HG GLU 47 -10.974 3.070 -26.223 356 H GLU 48 H GLU 48 -12.177 -0.959 -28.509 357 HA GLU 48 HA GLU 48 -10.675 -2.729 -30.143 358 HB2 GLU 48 2HB GLU 48 -13.273 -1.295 -30.716 359 HB3 GLU 48 1HB GLU 48 -12.630 -2.636 -31.652 360 HG2 GLU 48 2HG GLU 48 -12.868 -4.122 -29.789 361 HG3 GLU 48 1HG GLU 48 -13.343 -2.789 -28.734 362 H ASP 49 H ASP 49 -11.810 0.577 -30.581 363 HA ASP 49 HA ASP 49 -9.658 0.998 -32.543 364 HB2 ASP 49 2HB ASP 49 -11.653 0.738 -33.851 365 HB3 ASP 49 1HB ASP 49 -12.554 1.820 -32.796 366 H GLY 50 H GLY 50 -11.636 2.226 -29.971 367 HA2 GLY 50 2HA GLY 50 -11.176 4.965 -30.162 368 HA3 GLY 50 1HA GLY 50 -11.527 4.109 -28.672 369 H GLY 51 H GLY 51 -9.026 2.490 -28.955 370 HA2 GLY 51 2HA GLY 51 -6.638 3.268 -29.127 371 HA3 GLY 51 1HA GLY 51 -7.162 4.611 -28.126 372 H ALA 52 H ALA 52 -6.475 4.408 -26.173 373 HA ALA 52 HA ALA 52 -6.957 1.964 -24.677 374 HB1 ALA 52 3HB ALA 52 -4.677 1.755 -23.867 375 HB2 ALA 52 1HB ALA 52 -4.172 3.114 -24.871 376 HB3 ALA 52 2HB ALA 52 -4.713 1.613 -25.625 377 H HIS 53 H HIS 53 -7.372 2.358 -22.556 378 HA HIS 53 HA HIS 53 -7.027 5.150 -21.656 379 HD1 HIS 53 1HD HIS 53 -9.305 6.888 -21.941 380 HD2 HIS 53 2HD HIS 53 -10.669 3.198 -23.291 381 HE1 HIS 53 1HE HIS 53 -10.787 7.389 -23.901 382 HE2 HIS 53 2HE HIS 53 -11.767 5.162 -24.570 383 HB2 HIS 53 2HB HIS 53 -9.261 3.225 -20.968 384 HB3 HIS 53 1HB HIS 53 -9.047 4.813 -20.244 385 H ASN 54 H ASN 54 -5.779 5.409 -19.924 386 HA ASN 54 HA ASN 54 -5.319 3.100 -18.147 387 HB2 ASN 54 2HB ASN 54 -3.271 3.963 -19.194 388 HB3 ASN 54 1HB ASN 54 -3.634 5.582 -18.610 389 HD21 ASN 54 2HD2 ASN 54 -1.980 2.798 -16.161 390 HD22 ASN 54 1HD2 ASN 54 -2.619 2.371 -17.707 391 H GLN 55 H GLN 55 -6.683 3.239 -16.416 392 HA GLN 55 HA GLN 55 -6.969 5.865 -15.171 393 HB2 GLN 55 2HB GLN 55 -9.428 5.599 -15.040 394 HB3 GLN 55 1HB GLN 55 -8.829 5.801 -16.678 395 HG2 GLN 55 2HG GLN 55 -8.948 3.290 -16.893 396 HG3 GLN 55 1HG GLN 55 -9.835 3.296 -15.368 397 HE21 GLN 55 2HE2 GLN 55 -12.111 3.456 -18.375 398 HE22 GLN 55 1HE2 GLN 55 -10.744 2.469 -18.001 399 H CYS 56 H CYS 56 -7.016 5.851 -13.056 400 HA CYS 56 HA CYS 56 -6.762 3.317 -11.676 401 HG CYS 56 HG CYS 56 -7.364 7.166 -11.801 402 HB2 CYS 56 2HB CYS 56 -6.366 4.832 -9.682 403 HB3 CYS 56 1HB CYS 56 -5.212 4.995 -11.001 404 H LYS 57 H LYS 57 -8.451 2.273 -10.843 405 HA LYS 57 HA LYS 57 -11.017 3.583 -10.846 406 HB2 LYS 57 2HB LYS 57 -10.854 1.285 -11.603 407 HB3 LYS 57 1HB LYS 57 -10.208 0.786 -10.047 408 HG2 LYS 57 2HG LYS 57 -12.251 0.983 -8.987 409 HG3 LYS 57 1HG LYS 57 -12.897 2.074 -10.215 410 HD2 LYS 57 2HD LYS 57 -12.191 -0.795 -10.779 411 HD3 LYS 57 1HD LYS 57 -13.796 -0.288 -10.249 412 HE2 LYS 57 2HE LYS 57 -13.963 1.199 -12.187 413 HE3 LYS 57 1HE LYS 57 -12.361 0.689 -12.713 414 HZ1 LYS 57 3HZ LYS 57 -14.503 -1.293 -12.299 415 HZ2 LYS 57 1HZ LYS 57 -13.108 -1.412 -13.262 416 HZ3 LYS 57 2HZ LYS 57 -14.401 -0.423 -13.747 417 H LEU 58 H LEU 58 -8.530 3.187 -8.602 418 HA LEU 58 HA LEU 58 -10.196 3.263 -6.249 419 HG LEU 58 HG LEU 58 -8.611 3.780 -4.076 420 HB2 LEU 58 2HB LEU 58 -7.749 2.327 -6.581 421 HB3 LEU 58 1HB LEU 58 -7.299 3.979 -6.190 422 HD11 LEU 58 1HD1 LEU 58 -9.233 1.512 -3.338 423 HD12 LEU 58 2HD1 LEU 58 -8.805 0.897 -4.937 424 HD13 LEU 58 3HD1 LEU 58 -10.139 2.037 -4.760 425 HD21 LEU 58 3HD2 LEU 58 -6.188 3.456 -4.087 426 HD22 LEU 58 1HD2 LEU 58 -6.412 1.745 -4.453 427 HD23 LEU 58 2HD2 LEU 58 -6.968 2.398 -2.910 428 H CYS 59 H CYS 59 -9.844 5.473 -8.490 429 HA CYS 59 HA CYS 59 -10.240 7.656 -6.621 430 HG CYS 59 HG CYS 59 -9.849 10.242 -7.971 431 HB2 CYS 59 2HB CYS 59 -7.832 7.744 -7.059 432 HB3 CYS 59 1HB CYS 59 -8.138 7.782 -8.793 433 H GLY 60 H GLY 60 -10.351 6.413 -9.913 434 HA2 GLY 60 2HA GLY 60 -12.259 6.657 -11.294 435 HA3 GLY 60 1HA GLY 60 -12.716 8.081 -10.369 436 H ALA 61 H ALA 61 -9.488 8.292 -10.945 437 HA ALA 61 HA ALA 61 -9.863 10.352 -12.926 438 HB1 ALA 61 3HB ALA 61 -7.478 10.778 -12.628 439 HB2 ALA 61 1HB ALA 61 -7.326 9.314 -11.658 440 HB3 ALA 61 2HB ALA 61 -8.293 10.667 -11.067 441 H SER 62 H SER 62 -9.542 10.170 -15.057 442 HA SER 62 HA SER 62 -8.478 7.626 -16.069 443 HG SER 62 HG SER 62 -11.025 7.031 -16.622 444 HB2 SER 62 2HB SER 62 -10.278 9.623 -17.471 445 HB3 SER 62 1HB SER 62 -9.772 8.059 -18.103 446 H VAL 63 H VAL 63 -6.580 7.652 -17.025 447 HA VAL 63 HA VAL 63 -5.442 10.199 -17.948 448 HB VAL 63 HB VAL 63 -4.100 7.551 -17.337 449 HG11 VAL 63 1HG1 VAL 63 -2.864 10.204 -18.072 450 HG12 VAL 63 2HG1 VAL 63 -2.881 8.745 -19.062 451 HG13 VAL 63 3HG1 VAL 63 -1.982 8.769 -17.546 452 HG21 VAL 63 3HG2 VAL 63 -4.913 8.649 -15.331 453 HG22 VAL 63 1HG2 VAL 63 -4.095 10.143 -15.793 454 HG23 VAL 63 2HG2 VAL 63 -3.153 8.704 -15.398 455 HA PRO 64 HA PRO 64 -6.160 8.844 -22.132 456 HB2 PRO 64 1HB PRO 64 -5.791 10.747 -23.317 457 HB3 PRO 64 2HB PRO 64 -4.082 10.793 -22.873 458 HG2 PRO 64 2HG PRO 64 -4.834 12.569 -21.602 459 HG3 PRO 64 1HG PRO 64 -6.451 11.866 -21.407 460 HD2 PRO 64 2HD PRO 64 -3.908 11.199 -19.968 461 HD3 PRO 64 1HD PRO 64 -5.552 11.381 -19.320 462 H TRP 65 H TRP 65 -3.269 8.489 -20.443 463 HA TRP 65 HA TRP 65 -1.641 6.953 -20.544 464 HD1 TRP 65 HD TRP 65 -3.803 6.031 -24.637 465 HE1 TRP 65 1HE TRP 65 -2.471 4.921 -26.541 466 HE3 TRP 65 3HE TRP 65 0.091 4.154 -21.902 467 HZ2 TRP 65 2HZ TRP 65 -0.082 3.452 -26.834 468 HZ3 TRP 65 3HZ TRP 65 1.855 2.903 -23.072 469 HH2 TRP 65 HH TRP 65 1.770 2.559 -25.487 470 HB2 TRP 65 2HB TRP 65 -2.306 4.986 -21.312 471 HB3 TRP 65 1HB TRP 65 -3.703 5.793 -21.995 472 H LEU 66 H LEU 66 -2.288 8.484 -23.655 473 HA LEU 66 HA LEU 66 0.576 8.632 -24.196 474 HG LEU 66 HG LEU 66 -1.446 7.190 -25.932 475 HB2 LEU 66 2HB LEU 66 -1.826 9.632 -25.728 476 HB3 LEU 66 1HB LEU 66 -0.172 9.913 -26.233 477 HD11 LEU 66 1HD1 LEU 66 -0.815 8.809 -28.399 478 HD12 LEU 66 2HD1 LEU 66 -2.423 8.416 -27.788 479 HD13 LEU 66 3HD1 LEU 66 -1.369 7.134 -28.385 480 HD21 LEU 66 3HD2 LEU 66 1.225 8.025 -27.058 481 HD22 LEU 66 1HD2 LEU 66 0.565 6.390 -27.068 482 HD23 LEU 66 2HD2 LEU 66 0.961 7.172 -25.536 483 H GLN 67 H GLN 67 -1.391 10.122 -22.179 484 HA GLN 67 HA GLN 67 0.019 12.687 -22.335 485 HB2 GLN 67 2HB GLN 67 -2.336 12.744 -23.369 486 HB3 GLN 67 1HB GLN 67 -2.943 12.477 -21.747 487 HG2 GLN 67 2HG GLN 67 -1.078 14.730 -22.047 488 HG3 GLN 67 1HG GLN 67 -2.621 14.897 -22.879 489 HE21 GLN 67 2HE2 GLN 67 -4.534 15.245 -19.951 490 HE22 GLN 67 1HE2 GLN 67 -4.546 14.844 -21.647 491 H THR 68 H THR 68 0.200 13.721 -20.256 492 HA THR 68 HA THR 68 0.890 12.098 -18.153 493 HB THR 68 HB THR 68 -0.143 14.928 -17.915 494 HG1 THR 68 1HG THR 68 1.752 15.575 -18.684 495 HG21 THR 68 3HG2 THR 68 1.771 13.351 -16.183 496 HG22 THR 68 1HG2 THR 68 0.146 13.871 -15.741 497 HG23 THR 68 2HG2 THR 68 1.414 15.069 -15.999 498 H GLY 69 H GLY 69 -2.286 13.419 -18.876 499 HA2 GLY 69 2HA GLY 69 -4.272 12.303 -18.117 500 HA3 GLY 69 1HA GLY 69 -3.391 11.792 -16.683 501 H ASP 70 H ASP 70 -2.623 14.919 -17.482 502 HA ASP 70 HA ASP 70 -3.056 16.958 -16.607 503 HB2 ASP 70 2HB ASP 70 -5.821 15.782 -16.294 504 HB3 ASP 70 1HB ASP 70 -5.437 17.459 -15.915 505 H GLU 71 H GLU 71 -2.446 14.460 -14.947 506 HA GLU 71 HA GLU 71 -1.768 14.005 -12.844 507 HB2 GLU 71 2HB GLU 71 -0.996 16.379 -12.813 508 HB3 GLU 71 1HB GLU 71 -2.552 16.831 -12.130 509 HG2 GLU 71 2HG GLU 71 -2.068 15.270 -10.232 510 HG3 GLU 71 1HG GLU 71 -0.443 15.091 -10.884 511 H ILE 72 H ILE 72 -4.482 16.236 -12.323 512 HA ILE 72 HA ILE 72 -6.518 16.004 -11.382 513 HB ILE 72 HB ILE 72 -6.048 13.052 -11.811 514 HG12 ILE 72 2HG1 ILE 72 -7.740 15.070 -13.306 515 HG13 ILE 72 1HG1 ILE 72 -6.190 14.438 -13.850 516 HG21 ILE 72 1HG2 ILE 72 -8.438 12.750 -11.405 517 HG22 ILE 72 2HG2 ILE 72 -8.596 14.463 -11.012 518 HG23 ILE 72 3HG2 ILE 72 -7.635 13.404 -9.978 519 HD11 ILE 72 3HD1 ILE 72 -7.164 12.195 -13.972 520 HD12 ILE 72 1HD1 ILE 72 -8.018 13.350 -14.995 521 HD13 ILE 72 2HD1 ILE 72 -8.718 12.854 -13.454 522 H LYS 73 H LYS 73 -6.429 16.745 -9.384 523 HA LYS 73 HA LYS 73 -5.033 15.629 -7.230 524 HB2 LYS 73 2HB LYS 73 -5.932 17.942 -7.240 525 HB3 LYS 73 1HB LYS 73 -7.561 17.293 -7.129 526 HG2 LYS 73 2HG LYS 73 -7.121 16.394 -4.955 527 HG3 LYS 73 1HG LYS 73 -5.415 16.827 -5.075 528 HD2 LYS 73 2HD LYS 73 -5.998 19.188 -5.115 529 HD3 LYS 73 1HD LYS 73 -7.713 18.776 -5.072 530 HE2 LYS 73 2HE LYS 73 -6.818 19.455 -2.870 531 HE3 LYS 73 1HE LYS 73 -7.486 17.823 -2.879 532 HZ1 LYS 73 3HZ LYS 73 -5.389 17.934 -1.678 533 HZ2 LYS 73 1HZ LYS 73 -4.595 18.501 -3.069 534 HZ3 LYS 73 2HZ LYS 73 -5.257 16.937 -3.037 535 H HIS 74 H HIS 74 -5.379 13.862 -6.105 536 HA HIS 74 HA HIS 74 -7.488 12.144 -7.019 537 HD1 HIS 74 1HD HIS 74 -3.084 11.713 -6.220 538 HD2 HIS 74 2HD HIS 74 -6.154 10.533 -8.752 539 HE1 HIS 74 1HE HIS 74 -1.999 11.318 -8.448 540 HE2 HIS 74 2HE HIS 74 -3.926 10.890 -10.014 541 HB2 HIS 74 2HB HIS 74 -5.255 11.621 -5.045 542 HB3 HIS 74 1HB HIS 74 -6.333 10.396 -5.709 543 H ALA 75 H ALA 75 -8.782 10.843 -5.570 544 HA ALA 75 HA ALA 75 -10.406 12.519 -4.014 545 HB1 ALA 75 3HB ALA 75 -10.395 9.508 -4.145 546 HB2 ALA 75 1HB ALA 75 -11.266 10.586 -5.234 547 HB3 ALA 75 2HB ALA 75 -11.703 10.517 -3.527 548 H ASP 76 H ASP 76 -10.403 13.042 -1.961 549 HA ASP 76 HA ASP 76 -8.394 12.044 -0.165 550 HB2 ASP 76 2HB ASP 76 -9.495 13.662 1.419 551 HB3 ASP 76 1HB ASP 76 -8.891 14.371 -0.069 552 H ASP 77 H ASP 77 -11.575 11.274 -0.971 553 HA ASP 77 HA ASP 77 -12.627 10.188 1.370 554 HB2 ASP 77 2HB ASP 77 -12.977 9.486 -1.534 555 HB3 ASP 77 1HB ASP 77 -13.791 8.566 -0.278 556 H CYS 78 H CYS 78 -10.344 8.876 -0.932 557 HA CYS 78 HA CYS 78 -10.505 6.202 0.113 558 HG CYS 78 HG CYS 78 -10.034 6.163 -3.989 559 HB2 CYS 78 2HB CYS 78 -8.558 7.394 -1.870 560 HB3 CYS 78 1HB CYS 78 -8.832 5.680 -1.579 561 HA PRO 79 HA PRO 79 -7.287 6.461 3.141 562 HB2 PRO 79 1HB PRO 79 -7.732 4.294 3.716 563 HB3 PRO 79 2HB PRO 79 -6.177 3.982 2.935 564 HG2 PRO 79 2HG PRO 79 -7.163 3.286 0.957 565 HG3 PRO 79 1HG PRO 79 -8.392 2.746 2.116 566 HD2 PRO 79 2HD PRO 79 -8.978 4.381 0.048 567 HD3 PRO 79 1HD PRO 79 -9.822 4.481 1.605 568 H VAL 80 H VAL 80 -6.699 6.668 -0.029 569 HA VAL 80 HA VAL 80 -3.941 6.247 -0.331 570 HB VAL 80 HB VAL 80 -5.630 8.384 -1.656 571 HG11 VAL 80 1HG1 VAL 80 -3.984 8.265 -3.466 572 HG12 VAL 80 2HG1 VAL 80 -3.034 7.121 -2.521 573 HG13 VAL 80 3HG1 VAL 80 -3.247 8.773 -1.945 574 HG21 VAL 80 3HG2 VAL 80 -5.076 5.547 -2.519 575 HG22 VAL 80 1HG2 VAL 80 -5.920 6.763 -3.478 576 HG23 VAL 80 2HG2 VAL 80 -6.623 6.189 -1.967 577 H VAL 81 H VAL 81 -5.813 8.810 1.121 578 HA VAL 81 HA VAL 81 -3.903 10.787 1.462 579 HB VAL 81 HB VAL 81 -5.140 11.353 3.580 580 HG11 VAL 81 1HG1 VAL 81 -7.209 11.982 2.417 581 HG12 VAL 81 2HG1 VAL 81 -6.786 10.895 1.094 582 HG13 VAL 81 3HG1 VAL 81 -5.779 12.304 1.436 583 HG21 VAL 81 3HG2 VAL 81 -6.820 8.974 2.795 584 HG22 VAL 81 1HG2 VAL 81 -7.226 10.155 4.038 585 HG23 VAL 81 2HG2 VAL 81 -5.819 9.111 4.241 586 H ILE 82 H ILE 82 -4.410 7.826 3.309 587 HA ILE 82 HA ILE 82 -2.424 8.329 5.288 588 HB ILE 82 HB ILE 82 -3.524 5.679 4.312 589 HG12 ILE 82 2HG1 ILE 82 -5.274 7.185 5.158 590 HG13 ILE 82 1HG1 ILE 82 -5.042 5.802 6.226 591 HG21 ILE 82 1HG2 ILE 82 -1.421 5.405 5.518 592 HG22 ILE 82 2HG2 ILE 82 -2.774 4.778 6.460 593 HG23 ILE 82 3HG2 ILE 82 -2.066 6.340 6.868 594 HD11 ILE 82 3HD1 ILE 82 -5.343 7.851 7.492 595 HD12 ILE 82 1HD1 ILE 82 -3.965 8.582 6.663 596 HD13 ILE 82 2HD1 ILE 82 -3.723 7.200 7.733 597 H ALA 83 H ALA 83 -2.471 6.511 2.252 598 HA ALA 83 HA ALA 83 0.038 5.336 2.389 599 HB1 ALA 83 3HB ALA 83 -1.666 4.736 0.740 600 HB2 ALA 83 1HB ALA 83 -0.109 5.065 -0.018 601 HB3 ALA 83 2HB ALA 83 -1.396 6.268 -0.090 602 H LYS 84 H LYS 84 -0.858 8.533 1.134 603 HA LYS 84 HA LYS 84 1.735 9.151 0.157 604 HB2 LYS 84 2HB LYS 84 0.984 11.392 -0.123 605 HB3 LYS 84 1HB LYS 84 -0.360 10.339 -0.521 606 HG2 LYS 84 2HG LYS 84 -1.488 10.851 1.478 607 HG3 LYS 84 1HG LYS 84 -0.056 11.605 2.181 608 HD2 LYS 84 2HD LYS 84 -1.541 12.640 -0.233 609 HD3 LYS 84 1HD LYS 84 -1.739 13.249 1.410 610 HE2 LYS 84 2HE LYS 84 0.871 13.225 -0.098 611 HE3 LYS 84 1HE LYS 84 -0.208 14.615 -0.006 612 HZ1 LYS 84 3HZ LYS 84 1.661 14.641 1.613 613 HZ2 LYS 84 1HZ LYS 84 0.978 13.294 2.375 614 HZ3 LYS 84 2HZ LYS 84 0.130 14.759 2.333 615 H GLN 85 H GLN 85 0.273 9.386 3.315 616 HA GLN 85 HA GLN 85 2.254 11.137 4.400 617 HB2 GLN 85 2HB GLN 85 0.255 9.325 5.756 618 HB3 GLN 85 1HB GLN 85 1.211 10.549 6.553 619 HG2 GLN 85 2HG GLN 85 -0.944 10.982 4.512 620 HG3 GLN 85 1HG GLN 85 -1.016 11.356 6.229 621 HE21 GLN 85 2HE2 GLN 85 -0.305 14.630 5.358 622 HE22 GLN 85 1HE2 GLN 85 -1.441 13.502 6.008 623 H ILE 86 H ILE 86 1.713 7.682 4.214 624 HA ILE 86 HA ILE 86 3.772 6.819 5.928 625 HB ILE 86 HB ILE 86 2.849 5.400 3.422 626 HG12 ILE 86 2HG1 ILE 86 1.663 5.192 6.196 627 HG13 ILE 86 1HG1 ILE 86 0.955 6.146 4.895 628 HG21 ILE 86 1HG2 ILE 86 3.989 4.381 6.023 629 HG22 ILE 86 2HG2 ILE 86 4.827 4.444 4.473 630 HG23 ILE 86 3HG2 ILE 86 3.437 3.378 4.682 631 HD11 ILE 86 3HD1 ILE 86 1.369 3.165 4.893 632 HD12 ILE 86 1HD1 ILE 86 0.696 4.108 3.563 633 HD13 ILE 86 2HD1 ILE 86 -0.162 4.015 5.101 634 H LEU 87 H LEU 87 3.696 7.589 2.490 635 HA LEU 87 HA LEU 87 6.339 6.923 1.833 636 HG LEU 87 HG LEU 87 6.892 9.370 -0.077 637 HB2 LEU 87 2HB LEU 87 4.611 7.402 0.168 638 HB3 LEU 87 1HB LEU 87 4.550 9.074 0.690 639 HD11 LEU 87 1HD1 LEU 87 7.913 7.672 -1.485 640 HD12 LEU 87 2HD1 LEU 87 6.554 6.589 -1.184 641 HD13 LEU 87 3HD1 LEU 87 7.623 7.050 0.141 642 HD21 LEU 87 3HD2 LEU 87 6.382 9.374 -2.458 643 HD22 LEU 87 1HD2 LEU 87 5.005 9.952 -1.523 644 HD23 LEU 87 2HD2 LEU 87 5.002 8.314 -2.177 645 H SER 88 H SER 88 4.969 9.673 3.451 646 HA SER 88 HA SER 88 7.352 11.289 3.243 647 HG SER 88 HG SER 88 4.331 11.568 2.675 648 HB2 SER 88 2HB SER 88 4.842 11.724 4.884 649 HB3 SER 88 1HB SER 88 6.057 12.931 4.477 650 H SER 89 H SER 89 8.008 8.886 4.388 651 HA SER 89 HA SER 89 7.899 8.745 7.188 652 HG SER 89 HG SER 89 7.518 7.017 5.527 653 HB2 SER 89 2HB SER 89 10.128 7.735 5.408 654 HB3 SER 89 1HB SER 89 9.711 7.148 7.018 655 H ARG 90 H ARG 90 8.682 10.118 8.617 656 HA ARG 90 HA ARG 90 9.919 11.707 9.665 657 HE ARG 90 HE ARG 90 12.315 7.551 10.911 658 HB2 ARG 90 2HB ARG 90 12.251 10.982 7.896 659 HB3 ARG 90 1HB ARG 90 12.288 11.642 9.521 660 HG2 ARG 90 2HG ARG 90 11.363 8.872 8.792 661 HG3 ARG 90 1HG ARG 90 12.953 9.281 9.429 662 HD2 ARG 90 2HD ARG 90 11.820 10.192 11.460 663 HD3 ARG 90 1HD ARG 90 10.295 9.572 10.823 664 HH11 ARG 90 1HH1 ARG 90 9.920 9.222 12.882 665 HH12 ARG 90 2HH1 ARG 90 9.850 7.958 14.069 666 HH21 ARG 90 2HH2 ARG 90 11.149 6.083 13.839 667 HH22 ARG 90 1HH2 ARG 90 12.220 5.906 12.481 668 HA PRO 91 HA PRO 91 9.306 14.515 6.076 669 HB2 PRO 91 1HB PRO 91 7.114 15.006 6.274 670 HB3 PRO 91 2HB PRO 91 7.468 16.043 7.657 671 HG2 PRO 91 2HG PRO 91 6.332 14.486 8.870 672 HG3 PRO 91 1HG PRO 91 6.485 13.264 7.597 673 HD2 PRO 91 2HD PRO 91 8.372 13.948 9.811 674 HD3 PRO 91 1HD PRO 91 7.966 12.362 9.120 675 H LYS 92 H LYS 92 11.483 15.223 6.527 676 HA LYS 92 HA LYS 92 13.049 16.793 6.983 677 HB2 LYS 92 2HB LYS 92 11.071 18.230 6.100 678 HB3 LYS 92 1HB LYS 92 10.858 18.701 7.776 679 HG2 LYS 92 2HG LYS 92 12.865 19.860 7.841 680 HG3 LYS 92 1HG LYS 92 13.520 19.001 6.445 681 HD2 LYS 92 2HD LYS 92 12.886 21.337 5.935 682 HD3 LYS 92 1HD LYS 92 11.999 20.156 4.971 683 HE2 LYS 92 2HE LYS 92 10.093 20.359 6.510 684 HE3 LYS 92 1HE LYS 92 10.983 21.567 7.436 685 HZ1 LYS 92 3HZ LYS 92 10.931 23.059 5.611 686 HZ2 LYS 92 1HZ LYS 92 9.349 22.483 5.817 687 HZ3 LYS 92 2HZ LYS 92 10.315 21.877 4.560 688 H LEU 93 H LEU 93 13.443 18.638 8.974 689 HA LEU 93 HA LEU 93 13.920 16.958 11.181 690 HG LEU 93 HG LEU 93 14.180 19.114 13.408 691 HB2 LEU 93 2HB LEU 93 15.288 18.942 10.601 692 HB3 LEU 93 1HB LEU 93 13.969 19.975 11.118 693 HD11 LEU 93 1HD1 LEU 93 16.532 17.567 12.324 694 HD12 LEU 93 2HD1 LEU 93 15.006 16.879 12.881 695 HD13 LEU 93 3HD1 LEU 93 16.071 17.699 14.022 696 HD21 LEU 93 3HD2 LEU 93 16.779 20.104 12.242 697 HD22 LEU 93 1HD2 LEU 93 16.328 20.150 13.947 698 HD23 LEU 93 2HD2 LEU 93 15.428 21.107 12.771 699 H HIS 94 H HIS 94 11.520 19.530 10.660 700 HA HIS 94 HA HIS 94 9.844 18.187 12.653 701 HD1 HIS 94 1HD HIS 94 9.846 18.717 15.458 702 HD2 HIS 94 2HD HIS 94 12.827 21.165 13.897 703 HE1 HIS 94 1HE HIS 94 11.731 18.638 17.121 704 HE2 HIS 94 2HE HIS 94 13.603 19.946 16.045 705 HB2 HIS 94 2HB HIS 94 10.409 21.158 12.616 706 HB3 HIS 94 1HB HIS 94 9.094 20.421 13.523 707 H ALA 95 H ALA 95 9.288 21.295 11.097 708 HA ALA 95 HA ALA 95 7.762 22.026 9.592 709 HB1 ALA 95 3HB ALA 95 7.974 19.235 8.473 710 HB2 ALA 95 1HB ALA 95 9.027 20.590 8.067 711 HB3 ALA 95 2HB ALA 95 7.315 20.644 7.642 712 H VAL 96 H VAL 96 5.587 20.974 8.364 713 HA VAL 96 HA VAL 96 4.047 19.392 10.230 714 HB VAL 96 HB VAL 96 3.575 21.589 11.112 715 HG11 VAL 96 1HG1 VAL 96 2.739 22.379 8.328 716 HG12 VAL 96 2HG1 VAL 96 4.172 22.948 9.185 717 HG13 VAL 96 3HG1 VAL 96 2.565 23.368 9.778 718 HG21 VAL 96 3HG2 VAL 96 1.274 20.584 9.447 719 HG22 VAL 96 1HG2 VAL 96 1.142 21.672 10.829 720 HG23 VAL 96 2HG2 VAL 96 1.725 20.022 11.058 721 HA MET 1 HA MET 1 -12.086 -1.470 -18.706 722 H1 MET 1 1H MET 1 -12.328 -3.452 -17.317 723 H2 MET 1 2H MET 1 -14.015 -3.362 -17.489 724 H3 MET 1 3H MET 1 -13.169 -2.114 -16.703 725 HB2 MET 1 2HB MET 1 -11.885 -3.692 -19.719 726 HB3 MET 1 1HB MET 1 -13.628 -3.769 -19.939 727 HG2 MET 1 2HG MET 1 -13.490 -1.838 -21.466 728 HG3 MET 1 1HG MET 1 -11.736 -1.851 -21.287 729 HE1 MET 1 3HE MET 1 -13.333 -1.985 -24.072 730 HE2 MET 1 1HE MET 1 -12.370 -3.182 -24.940 731 HE3 MET 1 2HE MET 1 -11.572 -1.946 -23.967 732 H GLY 2 H GLY 2 -13.164 0.410 -18.493 733 HA2 GLY 2 2HA GLY 2 -14.775 2.005 -18.880 734 HA3 GLY 2 1HA GLY 2 -15.493 0.886 -20.033 735 H SER 3 H SER 3 -15.017 -0.150 -16.791 736 HA SER 3 HA SER 3 -17.916 -0.226 -16.432 737 HG SER 3 HG SER 3 -15.211 -2.572 -14.527 738 HB2 SER 3 2HB SER 3 -17.236 -1.893 -14.581 739 HB3 SER 3 1HB SER 3 -17.037 -2.402 -16.257 740 H SER 4 H SER 4 -18.648 1.506 -15.359 741 HA SER 4 HA SER 4 -17.613 1.997 -12.708 742 HG SER 4 HG SER 4 -16.990 4.026 -11.958 743 HB2 SER 4 2HB SER 4 -16.150 3.405 -14.171 744 HB3 SER 4 1HB SER 4 -17.589 4.268 -14.710 745 H HIS 5 H HIS 5 -19.153 2.605 -11.383 746 HA HIS 5 HA HIS 5 -21.528 3.984 -12.403 747 HD1 HIS 5 1HD HIS 5 -24.259 2.203 -13.081 748 HD2 HIS 5 2HD HIS 5 -20.774 -0.063 -12.804 749 HE1 HIS 5 1HE HIS 5 -24.357 0.559 -14.983 750 HE2 HIS 5 2HE HIS 5 -22.199 -0.738 -14.856 751 HB2 HIS 5 2HB HIS 5 -21.578 1.548 -10.596 752 HB3 HIS 5 1HB HIS 5 -22.968 2.580 -10.905 753 H HIS 6 H HIS 6 -22.536 5.320 -10.773 754 HA HIS 6 HA HIS 6 -20.523 6.557 -9.206 755 HD1 HIS 6 1HD HIS 6 -20.637 9.465 -9.653 756 HD2 HIS 6 2HD HIS 6 -23.311 8.513 -6.608 757 HE1 HIS 6 1HE HIS 6 -20.351 11.258 -7.911 758 HE2 HIS 6 2HE HIS 6 -22.039 10.718 -6.120 759 HB2 HIS 6 2HB HIS 6 -22.491 7.713 -10.307 760 HB3 HIS 6 1HB HIS 6 -23.485 7.091 -8.994 761 H HIS 7 H HIS 7 -23.415 4.683 -8.336 762 HA HIS 7 HA HIS 7 -24.118 3.736 -6.397 763 HD1 HIS 7 1HD HIS 7 -23.525 0.797 -5.526 764 HD2 HIS 7 2HD HIS 7 -20.728 2.190 -8.273 765 HE1 HIS 7 1HE HIS 7 -23.164 -1.097 -7.150 766 HE2 HIS 7 2HE HIS 7 -21.499 -0.218 -8.831 767 HB2 HIS 7 2HB HIS 7 -21.133 3.642 -5.932 768 HB3 HIS 7 1HB HIS 7 -22.291 2.953 -4.800 769 H HIS 8 H HIS 8 -23.340 3.945 -3.767 770 HA HIS 8 HA HIS 8 -22.884 6.741 -3.156 771 HD1 HIS 8 1HD HIS 8 -24.874 9.043 -2.673 772 HD2 HIS 8 2HD HIS 8 -25.331 6.260 0.389 773 HE1 HIS 8 1HE HIS 8 -25.203 10.385 -0.571 774 HE2 HIS 8 2HE HIS 8 -25.628 8.690 1.242 775 HB2 HIS 8 2HB HIS 8 -25.334 6.612 -3.481 776 HB3 HIS 8 1HB HIS 8 -25.421 5.353 -2.257 777 H HIS 9 H HIS 9 -21.032 6.128 -2.112 778 HA HIS 9 HA HIS 9 -21.493 4.739 0.442 779 HD1 HIS 9 1HD HIS 9 -19.810 1.439 -1.654 780 HD2 HIS 9 2HD HIS 9 -20.547 3.076 2.101 781 HE1 HIS 9 1HE HIS 9 -20.396 -0.500 -0.171 782 HE2 HIS 9 2HE HIS 9 -20.993 0.528 2.054 783 HB2 HIS 9 2HB HIS 9 -19.728 3.929 -1.678 784 HB3 HIS 9 1HB HIS 9 -18.778 4.355 -0.257 785 H HIS 10 H HIS 10 -19.062 6.704 -1.276 786 HA HIS 10 HA HIS 10 -17.692 8.379 -0.607 787 HD1 HIS 10 1HD HIS 10 -17.986 11.512 -0.634 788 HD2 HIS 10 2HD HIS 10 -18.513 10.210 3.279 789 HE1 HIS 10 1HE HIS 10 -16.896 13.254 0.814 790 HE2 HIS 10 2HE HIS 10 -17.092 12.366 3.166 791 HB2 HIS 10 2HB HIS 10 -19.762 9.631 -0.351 792 HB3 HIS 10 1HB HIS 10 -19.997 8.975 1.263 793 H SER 11 H SER 11 -15.968 7.307 0.202 794 HA SER 11 HA SER 11 -15.975 6.113 2.805 795 HG SER 11 HG SER 11 -14.997 4.209 1.242 796 HB2 SER 11 2HB SER 11 -13.653 6.670 0.940 797 HB3 SER 11 1HB SER 11 -13.647 5.565 2.316 798 H SER 12 H SER 12 -14.457 6.721 4.520 799 HA SER 12 HA SER 12 -13.572 9.499 4.460 800 HG SER 12 HG SER 12 -14.335 11.028 6.108 801 HB2 SER 12 2HB SER 12 -15.867 9.408 5.488 802 HB3 SER 12 1HB SER 12 -15.192 8.391 6.760 803 H GLY 13 H GLY 13 -11.455 9.102 4.607 804 HA2 GLY 13 2HA GLY 13 -10.544 7.823 7.101 805 HA3 GLY 13 1HA GLY 13 -9.786 7.411 5.565 806 H ARG 14 H ARG 14 -9.065 9.007 8.185 807 HA ARG 14 HA ARG 14 -7.779 11.196 6.701 808 HE ARG 14 HE ARG 14 -8.987 16.144 8.684 809 HB2 ARG 14 2HB ARG 14 -9.714 11.795 8.370 810 HB3 ARG 14 1HB ARG 14 -8.481 11.516 9.595 811 HG2 ARG 14 2HG ARG 14 -7.034 13.158 8.421 812 HG3 ARG 14 1HG ARG 14 -8.389 13.513 7.351 813 HD2 ARG 14 2HD ARG 14 -9.721 14.105 9.388 814 HD3 ARG 14 1HD ARG 14 -8.237 13.943 10.329 815 HH11 ARG 14 1HH1 ARG 14 -6.207 14.340 9.828 816 HH12 ARG 14 2HH1 ARG 14 -5.088 15.634 9.538 817 HH21 ARG 14 2HH2 ARG 14 -5.837 17.645 8.712 818 HH22 ARG 14 1HH2 ARG 14 -7.526 17.849 8.319 819 H GLU 15 H GLU 15 -5.731 11.901 7.576 820 HA GLU 15 HA GLU 15 -4.307 9.613 8.713 821 HB2 GLU 15 2HB GLU 15 -2.382 11.449 7.950 822 HB3 GLU 15 1HB GLU 15 -2.902 10.043 7.035 823 HG2 GLU 15 2HG GLU 15 -2.920 11.922 5.585 824 HG3 GLU 15 1HG GLU 15 -4.590 11.470 5.910 825 H ASN 16 H ASN 16 -3.659 9.599 10.708 826 HA ASN 16 HA ASN 16 -2.943 12.128 12.014 827 HB2 ASN 16 2HB ASN 16 -5.137 11.466 12.879 828 HB3 ASN 16 1HB ASN 16 -4.518 9.866 13.270 829 HD21 ASN 16 2HD2 ASN 16 -3.787 13.036 15.698 830 HD22 ASN 16 1HD2 ASN 16 -4.522 13.231 14.141 831 H LEU 17 H LEU 17 -0.801 11.920 12.022 832 HA LEU 17 HA LEU 17 1.264 11.268 12.546 833 HG LEU 17 HG LEU 17 1.045 10.574 16.147 834 HB2 LEU 17 2HB LEU 17 -0.311 9.522 14.384 835 HB3 LEU 17 1HB LEU 17 1.396 9.237 14.171 836 HD11 LEU 17 1HD1 LEU 17 2.200 12.217 13.902 837 HD12 LEU 17 2HD1 LEU 17 3.060 11.019 14.873 838 HD13 LEU 17 3HD1 LEU 17 2.459 12.498 15.624 839 HD21 LEU 17 3HD2 LEU 17 0.067 12.811 16.035 840 HD22 LEU 17 1HD2 LEU 17 -1.098 11.573 15.563 841 HD23 LEU 17 2HD2 LEU 17 -0.313 12.561 14.330 842 H TYR 18 H TYR 18 2.825 9.542 12.174 843 HA TYR 18 HA TYR 18 1.859 7.656 10.169 844 HD1 TYR 18 2HD TYR 18 4.096 10.715 11.440 845 HD2 TYR 18 1HD TYR 18 6.264 7.244 10.290 846 HE1 TYR 18 2HE TYR 18 6.050 11.525 12.698 847 HE2 TYR 18 1HE TYR 18 8.219 8.037 11.544 848 HH TYR 18 HH TYR 18 8.113 10.385 13.835 849 HB2 TYR 18 2HB TYR 18 4.184 7.608 9.379 850 HB3 TYR 18 1HB TYR 18 3.521 9.228 9.340 851 H PHE 19 H PHE 19 3.946 5.859 10.156 852 HA PHE 19 HA PHE 19 3.170 4.275 12.423 853 HD1 PHE 19 2HD PHE 19 2.012 2.055 11.525 854 HD2 PHE 19 1HD PHE 19 3.764 4.124 8.243 855 HE1 PHE 19 2HE PHE 19 -0.006 1.632 10.184 856 HE2 PHE 19 1HE PHE 19 1.751 3.707 6.903 857 HZ PHE 19 HZ PHE 19 -0.136 2.462 7.870 858 HB2 PHE 19 2HB PHE 19 5.046 3.659 10.133 859 HB3 PHE 19 1HB PHE 19 4.493 2.491 11.335 860 H GLN 20 H GLN 20 5.330 2.728 12.967 861 HA GLN 20 HA GLN 20 7.223 2.546 14.201 862 HB2 GLN 20 2HB GLN 20 8.310 4.140 12.679 863 HB3 GLN 20 1HB GLN 20 7.657 5.480 13.603 864 HG2 GLN 20 2HG GLN 20 9.295 3.524 15.088 865 HG3 GLN 20 1HG GLN 20 10.131 4.539 13.916 866 HE21 GLN 20 2HE2 GLN 20 9.940 6.077 17.358 867 HE22 GLN 20 1HE2 GLN 20 10.333 4.478 16.815 868 H GLY 21 H GLY 21 4.970 5.133 14.798 869 HA2 GLY 21 2HA GLY 21 5.224 4.543 17.685 870 HA3 GLY 21 1HA GLY 21 4.800 6.136 17.069 871 H MET 22 H MET 22 3.566 3.242 15.598 872 HA MET 22 HA MET 22 0.856 4.105 16.258 873 HB2 MET 22 2HB MET 22 1.987 2.208 14.216 874 HB3 MET 22 1HB MET 22 0.270 2.221 14.593 875 HG2 MET 22 2HG MET 22 1.827 4.613 13.647 876 HG3 MET 22 1HG MET 22 0.880 3.556 12.603 877 HE1 MET 22 3HE MET 22 0.369 6.600 12.516 878 HE2 MET 22 1HE MET 22 -1.390 6.673 12.608 879 HE3 MET 22 2HE MET 22 -0.609 5.423 11.639 880 H THR 23 H THR 23 -0.642 2.872 17.282 881 HA THR 23 HA THR 23 0.507 0.610 18.766 882 HB THR 23 HB THR 23 -1.423 2.602 19.944 883 HG1 THR 23 1HG THR 23 0.891 3.296 19.206 884 HG21 THR 23 3HG2 THR 23 -0.544 1.723 22.055 885 HG22 THR 23 1HG2 THR 23 0.492 0.616 21.156 886 HG23 THR 23 2HG2 THR 23 -1.260 0.445 21.072 887 H ASP 24 H ASP 24 -2.664 2.159 18.059 888 HA ASP 24 HA ASP 24 -3.883 -0.465 18.597 889 HB2 ASP 24 2HB ASP 24 -4.561 1.366 20.078 890 HB3 ASP 24 1HB ASP 24 -5.112 2.295 18.690 891 H THR 25 H THR 25 -5.169 2.302 16.768 892 HA THR 25 HA THR 25 -6.777 0.467 15.290 893 HB THR 25 HB THR 25 -6.551 3.443 14.845 894 HG1 THR 25 1HG THR 25 -7.452 1.992 17.018 895 HG21 THR 25 3HG2 THR 25 -7.886 2.255 13.175 896 HG22 THR 25 1HG2 THR 25 -8.927 3.231 14.214 897 HG23 THR 25 2HG2 THR 25 -8.826 1.486 14.454 898 H ALA 26 H ALA 26 -3.678 1.634 14.754 899 HA ALA 26 HA ALA 26 -3.591 2.151 12.015 900 HB1 ALA 26 3HB ALA 26 -1.205 1.623 12.168 901 HB2 ALA 26 1HB ALA 26 -1.470 0.924 13.765 902 HB3 ALA 26 2HB ALA 26 -1.738 2.648 13.502 903 H ALA 27 H ALA 27 -3.847 -0.860 13.726 904 HA ALA 27 HA ALA 27 -2.898 -2.620 11.756 905 HB1 ALA 27 3HB ALA 27 -5.039 -3.113 13.825 906 HB2 ALA 27 1HB ALA 27 -3.301 -3.289 14.074 907 HB3 ALA 27 2HB ALA 27 -4.141 -4.348 12.942 908 H GLU 28 H GLU 28 -5.914 -0.927 12.095 909 HA GLU 28 HA GLU 28 -7.263 -2.542 10.103 910 HB2 GLU 28 2HB GLU 28 -8.452 -1.619 12.097 911 HB3 GLU 28 1HB GLU 28 -8.199 -0.001 11.455 912 HG2 GLU 28 2HG GLU 28 -9.548 -0.506 9.531 913 HG3 GLU 28 1HG GLU 28 -9.709 -2.185 10.044 914 H ASP 29 H ASP 29 -5.756 0.630 10.378 915 HA ASP 29 HA ASP 29 -6.656 1.705 7.943 916 HB2 ASP 29 2HB ASP 29 -4.280 2.312 9.682 917 HB3 ASP 29 1HB ASP 29 -4.520 3.143 8.149 918 H VAL 30 H VAL 30 -3.771 -0.213 8.692 919 HA VAL 30 HA VAL 30 -2.604 0.102 6.120 920 HB VAL 30 HB VAL 30 -2.099 -2.064 8.167 921 HG11 VAL 30 1HG1 VAL 30 -1.333 -2.727 5.943 922 HG12 VAL 30 2HG1 VAL 30 0.036 -2.380 6.999 923 HG13 VAL 30 3HG1 VAL 30 -0.460 -1.204 5.781 924 HG21 VAL 30 3HG2 VAL 30 -0.145 -0.681 8.755 925 HG22 VAL 30 1HG2 VAL 30 -1.672 0.151 9.050 926 HG23 VAL 30 2HG2 VAL 30 -0.706 0.557 7.632 927 H ARG 31 H ARG 31 -4.648 -2.443 7.528 928 HA ARG 31 HA ARG 31 -4.567 -4.038 5.173 929 HE ARG 31 HE ARG 31 -5.638 -4.889 9.846 930 HB2 ARG 31 2HB ARG 31 -6.393 -5.324 6.146 931 HB3 ARG 31 1HB ARG 31 -5.116 -5.056 7.318 932 HG2 ARG 31 2HG ARG 31 -6.476 -3.226 8.294 933 HG3 ARG 31 1HG ARG 31 -7.776 -3.661 7.181 934 HD2 ARG 31 2HD ARG 31 -8.196 -4.713 9.299 935 HD3 ARG 31 1HD ARG 31 -7.748 -5.953 8.130 936 HH11 ARG 31 1HH1 ARG 31 -7.818 -7.525 9.052 937 HH12 ARG 31 2HH1 ARG 31 -7.001 -8.672 10.067 938 HH21 ARG 31 2HH2 ARG 31 -5.145 -8.061 11.248 939 HH22 ARG 31 1HH2 ARG 31 -4.538 -6.435 11.161 940 H LYS 32 H LYS 32 -6.464 -1.334 6.218 941 HA LYS 32 HA LYS 32 -8.623 -1.415 4.464 942 HB2 LYS 32 2HB LYS 32 -7.811 0.313 6.339 943 HB3 LYS 32 1HB LYS 32 -7.251 1.189 4.924 944 HG2 LYS 32 2HG LYS 32 -9.313 2.097 5.135 945 HG3 LYS 32 1HG LYS 32 -9.721 0.722 4.106 946 HD2 LYS 32 2HD LYS 32 -10.452 -0.556 6.016 947 HD3 LYS 32 1HD LYS 32 -9.897 0.704 7.119 948 HE2 LYS 32 2HE LYS 32 -11.525 2.252 5.964 949 HE3 LYS 32 1HE LYS 32 -12.184 0.823 5.169 950 HZ1 LYS 32 3HZ LYS 32 -12.085 1.339 8.093 951 HZ2 LYS 32 1HZ LYS 32 -12.602 -0.120 7.396 952 HZ3 LYS 32 2HZ LYS 32 -13.467 1.309 7.110 953 H ILE 33 H ILE 33 -5.477 0.238 3.974 954 HA ILE 33 HA ILE 33 -5.962 0.854 1.249 955 HB ILE 33 HB ILE 33 -3.300 0.904 1.236 956 HG12 ILE 33 2HG1 ILE 33 -3.976 1.172 4.171 957 HG13 ILE 33 1HG1 ILE 33 -3.070 -0.150 3.447 958 HG21 ILE 33 1HG2 ILE 33 -3.404 3.235 1.978 959 HG22 ILE 33 2HG2 ILE 33 -5.022 2.946 2.621 960 HG23 ILE 33 3HG2 ILE 33 -4.727 2.822 0.886 961 HD11 ILE 33 3HD1 ILE 33 -2.221 2.734 3.515 962 HD12 ILE 33 1HD1 ILE 33 -1.305 1.404 2.808 963 HD13 ILE 33 2HD1 ILE 33 -1.605 1.443 4.546 964 H ALA 34 H ALA 34 -4.271 -1.810 2.829 965 HA ALA 34 HA ALA 34 -3.161 -3.037 0.593 966 HB1 ALA 34 3HB ALA 34 -3.077 -5.075 1.935 967 HB2 ALA 34 1HB ALA 34 -4.218 -4.375 3.085 968 HB3 ALA 34 2HB ALA 34 -2.612 -3.668 2.892 969 H THR 35 H THR 35 -6.342 -3.625 2.101 970 HA THR 35 HA THR 35 -7.127 -5.648 0.291 971 HB THR 35 HB THR 35 -8.869 -3.790 1.930 972 HG1 THR 35 1HG THR 35 -7.588 -4.917 3.338 973 HG21 THR 35 3HG2 THR 35 -10.115 -4.947 0.158 974 HG22 THR 35 1HG2 THR 35 -10.564 -5.540 1.757 975 HG23 THR 35 2HG2 THR 35 -9.491 -6.492 0.732 976 H ALA 36 H ALA 36 -7.575 -2.142 0.316 977 HA ALA 36 HA ALA 36 -9.441 -1.972 -1.772 978 HB1 ALA 36 3HB ALA 36 -8.982 -0.134 -0.228 979 HB2 ALA 36 1HB ALA 36 -8.824 0.377 -1.907 980 HB3 ALA 36 2HB ALA 36 -7.381 0.068 -0.940 981 H LEU 37 H LEU 37 -5.889 -1.927 -1.826 982 HA LEU 37 HA LEU 37 -5.802 -1.242 -4.588 983 HG LEU 37 HG LEU 37 -3.847 -3.116 -2.052 984 HB2 LEU 37 2HB LEU 37 -3.443 -1.366 -4.415 985 HB3 LEU 37 1HB LEU 37 -4.047 -0.618 -2.959 986 HD11 LEU 37 1HD1 LEU 37 -1.824 -4.171 -2.942 987 HD12 LEU 37 2HD1 LEU 37 -1.731 -2.932 -4.194 988 HD13 LEU 37 3HD1 LEU 37 -3.089 -4.056 -4.165 989 HD21 LEU 37 3HD2 LEU 37 -1.559 -1.172 -2.328 990 HD22 LEU 37 1HD2 LEU 37 -1.648 -2.494 -1.165 991 HD23 LEU 37 2HD2 LEU 37 -2.795 -1.158 -1.070 992 H LEU 38 H LEU 38 -5.951 -4.243 -2.855 993 HA LEU 38 HA LEU 38 -5.136 -5.837 -5.105 994 HG LEU 38 HG LEU 38 -4.525 -8.298 -2.506 995 HB2 LEU 38 2HB LEU 38 -6.161 -6.382 -2.379 996 HB3 LEU 38 1HB LEU 38 -6.487 -7.604 -3.589 997 HD11 LEU 38 1HD1 LEU 38 -4.419 -8.474 -4.936 998 HD12 LEU 38 2HD1 LEU 38 -2.821 -8.242 -4.228 999 HD13 LEU 38 3HD1 LEU 38 -3.640 -6.895 -5.020 1000 HD21 LEU 38 3HD2 LEU 38 -2.557 -6.880 -2.182 1001 HD22 LEU 38 1HD2 LEU 38 -3.974 -6.245 -1.345 1002 HD23 LEU 38 2HD2 LEU 38 -3.439 -5.509 -2.857 1003 H LYS 39 H LYS 39 -8.219 -4.774 -3.726 1004 HA LYS 39 HA LYS 39 -9.669 -6.711 -5.247 1005 HB2 LYS 39 2HB LYS 39 -11.617 -5.921 -4.108 1006 HB3 LYS 39 1HB LYS 39 -10.310 -6.097 -2.956 1007 HG2 LYS 39 2HG LYS 39 -9.961 -3.703 -2.943 1008 HG3 LYS 39 1HG LYS 39 -11.205 -3.494 -4.177 1009 HD2 LYS 39 2HD LYS 39 -11.580 -4.500 -1.359 1010 HD3 LYS 39 1HD LYS 39 -12.152 -2.975 -2.033 1011 HE2 LYS 39 2HE LYS 39 -13.605 -4.191 -3.571 1012 HE3 LYS 39 1HE LYS 39 -13.027 -5.720 -2.913 1013 HZ1 LYS 39 3HZ LYS 39 -13.860 -4.791 -0.692 1014 HZ2 LYS 39 1HZ LYS 39 -15.009 -5.353 -1.809 1015 HZ3 LYS 39 2HZ LYS 39 -14.740 -3.687 -1.636 1016 H THR 40 H THR 40 -9.325 -3.146 -5.487 1017 HA THR 40 HA THR 40 -10.549 -3.282 -8.113 1018 HB THR 40 HB THR 40 -12.473 -3.307 -6.550 1019 HG1 THR 40 1HG THR 40 -12.118 -1.082 -8.280 1020 HG21 THR 40 3HG2 THR 40 -11.566 -1.946 -4.750 1021 HG22 THR 40 1HG2 THR 40 -13.067 -1.243 -5.352 1022 HG23 THR 40 2HG2 THR 40 -11.516 -0.543 -5.818 1023 H ALA 41 H ALA 41 -8.186 -2.063 -6.430 1024 HA ALA 41 HA ALA 41 -8.311 0.731 -6.985 1025 HB1 ALA 41 3HB ALA 41 -6.817 -0.149 -5.278 1026 HB2 ALA 41 1HB ALA 41 -5.912 0.747 -6.498 1027 HB3 ALA 41 2HB ALA 41 -5.902 -1.017 -6.509 1028 H ILE 42 H ILE 42 -7.332 -2.068 -8.754 1029 HA ILE 42 HA ILE 42 -5.985 -0.555 -10.831 1030 HB ILE 42 HB ILE 42 -6.520 -3.519 -10.872 1031 HG12 ILE 42 2HG1 ILE 42 -4.191 -2.151 -9.517 1032 HG13 ILE 42 1HG1 ILE 42 -5.577 -2.808 -8.656 1033 HG21 ILE 42 1HG2 ILE 42 -4.273 -1.816 -11.954 1034 HG22 ILE 42 2HG2 ILE 42 -5.588 -2.517 -12.896 1035 HG23 ILE 42 3HG2 ILE 42 -4.406 -3.569 -12.116 1036 HD11 ILE 42 3HD1 ILE 42 -3.637 -4.370 -10.339 1037 HD12 ILE 42 1HD1 ILE 42 -5.032 -5.032 -9.487 1038 HD13 ILE 42 2HD1 ILE 42 -3.700 -4.323 -8.576 1039 H GLU 43 H GLU 43 -7.311 -3.112 -12.410 1040 HA GLU 43 HA GLU 43 -9.981 -2.123 -12.782 1041 HB2 GLU 43 2HB GLU 43 -8.936 -0.535 -14.225 1042 HB3 GLU 43 1HB GLU 43 -7.927 -1.765 -14.966 1043 HG2 GLU 43 2HG GLU 43 -9.663 -1.098 -16.489 1044 HG3 GLU 43 1HG GLU 43 -9.917 -2.766 -15.993 1045 H ILE 44 H ILE 44 -11.297 -3.493 -13.922 1046 HA ILE 44 HA ILE 44 -10.399 -6.252 -14.009 1047 HB ILE 44 HB ILE 44 -13.086 -4.922 -14.274 1048 HG12 ILE 44 2HG1 ILE 44 -12.096 -5.174 -12.001 1049 HG13 ILE 44 1HG1 ILE 44 -13.609 -6.052 -12.208 1050 HG21 ILE 44 1HG2 ILE 44 -12.525 -7.873 -14.514 1051 HG22 ILE 44 2HG2 ILE 44 -13.028 -6.807 -15.824 1052 HG23 ILE 44 3HG2 ILE 44 -14.115 -7.111 -14.469 1053 HD11 ILE 44 3HD1 ILE 44 -10.850 -7.239 -12.293 1054 HD12 ILE 44 1HD1 ILE 44 -12.359 -8.119 -12.541 1055 HD13 ILE 44 2HD1 ILE 44 -12.017 -7.379 -10.976 1056 H VAL 45 H VAL 45 -9.746 -7.207 -15.831 1057 HA VAL 45 HA VAL 45 -10.621 -6.102 -18.401 1058 HB VAL 45 HB VAL 45 -8.952 -7.734 -19.385 1059 HG11 VAL 45 1HG1 VAL 45 -7.889 -5.635 -17.496 1060 HG12 VAL 45 2HG1 VAL 45 -8.463 -5.356 -19.141 1061 HG13 VAL 45 3HG1 VAL 45 -7.018 -6.328 -18.865 1062 HG21 VAL 45 3HG2 VAL 45 -7.186 -8.575 -17.894 1063 HG22 VAL 45 1HG2 VAL 45 -8.760 -9.268 -17.496 1064 HG23 VAL 45 2HG2 VAL 45 -8.085 -7.977 -16.501 1065 H SER 46 H SER 46 -12.498 -6.888 -19.042 1066 HA SER 46 HA SER 46 -13.304 -9.541 -18.143 1067 HG SER 46 HG SER 46 -14.892 -7.105 -20.377 1068 HB2 SER 46 2HB SER 46 -15.570 -8.760 -18.993 1069 HB3 SER 46 1HB SER 46 -14.903 -7.857 -17.638 1070 H GLU 47 H GLU 47 -13.884 -11.190 -19.492 1071 HA GLU 47 HA GLU 47 -12.766 -11.175 -22.143 1072 HB2 GLU 47 2HB GLU 47 -14.424 -13.215 -20.652 1073 HB3 GLU 47 1HB GLU 47 -13.703 -13.493 -22.227 1074 HG2 GLU 47 2HG GLU 47 -11.492 -13.301 -21.304 1075 HG3 GLU 47 1HG GLU 47 -12.149 -12.834 -19.735 1076 H GLU 48 H GLU 48 -13.869 -9.855 -23.488 1077 HA GLU 48 HA GLU 48 -15.515 -8.945 -24.739 1078 HB2 GLU 48 2HB GLU 48 -16.673 -11.712 -24.447 1079 HB3 GLU 48 1HB GLU 48 -17.301 -10.494 -25.547 1080 HG2 GLU 48 2HG GLU 48 -15.140 -10.439 -26.700 1081 HG3 GLU 48 1HG GLU 48 -14.540 -11.690 -25.612 1082 H ASP 49 H ASP 49 -17.569 -11.053 -22.811 1083 HA ASP 49 HA ASP 49 -18.798 -8.744 -21.505 1084 HB2 ASP 49 2HB ASP 49 -20.105 -9.045 -23.542 1085 HB3 ASP 49 1HB ASP 49 -20.337 -10.750 -23.169 1086 H GLY 50 H GLY 50 -18.152 -12.159 -21.642 1087 HA2 GLY 50 2HA GLY 50 -20.028 -12.921 -19.626 1088 HA3 GLY 50 1HA GLY 50 -18.787 -13.936 -20.336 1089 H GLY 51 H GLY 51 -16.524 -13.553 -19.507 1090 HA2 GLY 51 2HA GLY 51 -16.764 -13.529 -16.616 1091 HA3 GLY 51 1HA GLY 51 -15.447 -14.229 -17.550 1092 H ALA 52 H ALA 52 -14.912 -12.717 -15.427 1093 HA ALA 52 HA ALA 52 -13.742 -10.296 -16.598 1094 HB1 ALA 52 3HB ALA 52 -14.305 -9.033 -14.573 1095 HB2 ALA 52 1HB ALA 52 -15.177 -10.431 -13.949 1096 HB3 ALA 52 2HB ALA 52 -15.747 -9.613 -15.404 1097 H HIS 53 H HIS 53 -11.649 -9.959 -16.046 1098 HA HIS 53 HA HIS 53 -10.530 -11.705 -13.943 1099 HD1 HIS 53 1HD HIS 53 -8.899 -14.209 -14.901 1100 HD2 HIS 53 2HD HIS 53 -11.134 -12.536 -17.985 1101 HE1 HIS 53 1HE HIS 53 -10.017 -16.137 -16.056 1102 HE2 HIS 53 2HE HIS 53 -11.462 -15.099 -17.848 1103 HB2 HIS 53 2HB HIS 53 -9.315 -10.920 -16.598 1104 HB3 HIS 53 1HB HIS 53 -8.426 -11.723 -15.307 1105 H ASN 54 H ASN 54 -9.387 -10.731 -12.394 1106 HA ASN 54 HA ASN 54 -8.773 -7.881 -12.683 1107 HB2 ASN 54 2HB ASN 54 -9.938 -8.586 -10.636 1108 HB3 ASN 54 1HB ASN 54 -8.634 -9.708 -10.265 1109 HD21 ASN 54 2HD2 ASN 54 -7.453 -7.188 -8.163 1110 HD22 ASN 54 1HD2 ASN 54 -8.205 -8.738 -8.295 1111 H GLN 55 H GLN 55 -6.835 -7.389 -13.486 1112 HA GLN 55 HA GLN 55 -4.624 -9.262 -13.001 1113 HB2 GLN 55 2HB GLN 55 -5.125 -7.327 -15.254 1114 HB3 GLN 55 1HB GLN 55 -3.528 -7.999 -14.946 1115 HG2 GLN 55 2HG GLN 55 -4.491 -10.270 -15.163 1116 HG3 GLN 55 1HG GLN 55 -6.031 -9.537 -15.607 1117 HE21 GLN 55 2HE2 GLN 55 -4.928 -10.057 -18.890 1118 HE22 GLN 55 1HE2 GLN 55 -5.960 -10.609 -17.613 1119 H CYS 56 H CYS 56 -3.246 -8.688 -11.520 1120 HA CYS 56 HA CYS 56 -3.327 -6.022 -10.439 1121 HG CYS 56 HG CYS 56 -2.541 -6.142 -7.321 1122 HB2 CYS 56 2HB CYS 56 -3.197 -8.037 -8.989 1123 HB3 CYS 56 1HB CYS 56 -1.597 -8.373 -9.640 1124 H LYS 57 H LYS 57 -2.279 -4.481 -11.509 1125 HA LYS 57 HA LYS 57 -0.011 -4.898 -13.162 1126 HB2 LYS 57 2HB LYS 57 -1.807 -2.794 -12.570 1127 HB3 LYS 57 1HB LYS 57 -0.196 -2.180 -12.237 1128 HG2 LYS 57 2HG LYS 57 -1.129 -3.378 -14.839 1129 HG3 LYS 57 1HG LYS 57 -0.893 -1.663 -14.503 1130 HD2 LYS 57 2HD LYS 57 1.149 -1.989 -15.371 1131 HD3 LYS 57 1HD LYS 57 1.527 -2.694 -13.799 1132 HE2 LYS 57 2HE LYS 57 2.264 -4.184 -15.550 1133 HE3 LYS 57 1HE LYS 57 0.911 -4.919 -14.690 1134 HZ1 LYS 57 3HZ LYS 57 0.761 -5.142 -17.125 1135 HZ2 LYS 57 1HZ LYS 57 0.676 -3.454 -17.262 1136 HZ3 LYS 57 2HZ LYS 57 -0.562 -4.300 -16.470 1137 H LEU 58 H LEU 58 -0.312 -4.830 -9.843 1138 HA LEU 58 HA LEU 58 2.139 -3.394 -9.266 1139 HG LEU 58 HG LEU 58 2.520 -3.483 -6.529 1140 HB2 LEU 58 2HB LEU 58 -0.145 -3.468 -7.947 1141 HB3 LEU 58 1HB LEU 58 0.578 -4.886 -7.210 1142 HD11 LEU 58 1HD1 LEU 58 2.321 -1.782 -8.246 1143 HD12 LEU 58 2HD1 LEU 58 2.276 -1.050 -6.641 1144 HD13 LEU 58 3HD1 LEU 58 0.784 -1.248 -7.563 1145 HD21 LEU 58 3HD2 LEU 58 0.678 -3.938 -4.984 1146 HD22 LEU 58 1HD2 LEU 58 -0.171 -2.509 -5.573 1147 HD23 LEU 58 2HD2 LEU 58 1.363 -2.334 -4.720 1148 H CYS 59 H CYS 59 1.560 -6.427 -10.327 1149 HA CYS 59 HA CYS 59 4.047 -7.427 -9.292 1150 HG CYS 59 HG CYS 59 0.089 -8.007 -7.769 1151 HB2 CYS 59 2HB CYS 59 3.058 -9.488 -8.299 1152 HB3 CYS 59 1HB CYS 59 2.683 -8.018 -7.406 1153 H GLY 60 H GLY 60 1.167 -7.905 -11.239 1154 HA2 GLY 60 2HA GLY 60 1.304 -8.670 -13.492 1155 HA3 GLY 60 1HA GLY 60 2.773 -9.540 -13.075 1156 H ALA 61 H ALA 61 0.226 -9.779 -10.827 1157 HA ALA 61 HA ALA 61 -0.249 -12.556 -11.617 1158 HB1 ALA 61 3HB ALA 61 -1.023 -11.110 -9.086 1159 HB2 ALA 61 1HB ALA 61 0.410 -12.116 -9.292 1160 HB3 ALA 61 2HB ALA 61 -1.196 -12.838 -9.395 1161 H SER 62 H SER 62 -2.553 -13.353 -11.350 1162 HA SER 62 HA SER 62 -4.523 -11.311 -12.080 1163 HG SER 62 HG SER 62 -2.865 -11.404 -13.807 1164 HB2 SER 62 2HB SER 62 -4.049 -13.811 -13.723 1165 HB3 SER 62 1HB SER 62 -5.259 -12.565 -14.036 1166 H VAL 63 H VAL 63 -6.528 -11.709 -11.299 1167 HA VAL 63 HA VAL 63 -7.112 -14.387 -10.243 1168 HB VAL 63 HB VAL 63 -6.323 -13.106 -8.339 1169 HG11 VAL 63 1HG1 VAL 63 -7.467 -11.084 -7.572 1170 HG12 VAL 63 2HG1 VAL 63 -8.460 -11.101 -9.029 1171 HG13 VAL 63 3HG1 VAL 63 -6.719 -10.855 -9.155 1172 HG21 VAL 63 3HG2 VAL 63 -9.322 -13.431 -8.299 1173 HG22 VAL 63 1HG2 VAL 63 -8.300 -13.257 -6.872 1174 HG23 VAL 63 2HG2 VAL 63 -8.131 -14.671 -7.915 1175 HA PRO 64 HA PRO 64 -11.004 -13.797 -12.368 1176 HB2 PRO 64 1HB PRO 64 -12.142 -15.754 -12.000 1177 HB3 PRO 64 2HB PRO 64 -12.001 -15.620 -10.244 1178 HG2 PRO 64 2HG PRO 64 -10.435 -17.292 -10.660 1179 HG3 PRO 64 1HG PRO 64 -9.999 -16.608 -12.240 1180 HD2 PRO 64 2HD PRO 64 -9.161 -15.747 -9.499 1181 HD3 PRO 64 1HD PRO 64 -8.213 -15.816 -11.000 1182 H TRP 65 H TRP 65 -12.928 -12.738 -12.062 1183 HA TRP 65 HA TRP 65 -13.003 -10.689 -10.197 1184 HD1 TRP 65 HD TRP 65 -17.488 -10.931 -10.867 1185 HE1 TRP 65 1HE TRP 65 -18.846 -12.969 -11.658 1186 HE3 TRP 65 3HE TRP 65 -13.719 -13.634 -13.038 1187 HZ2 TRP 65 2HZ TRP 65 -18.381 -15.397 -13.013 1188 HZ3 TRP 65 3HZ TRP 65 -14.267 -15.804 -14.055 1189 HH2 TRP 65 HH TRP 65 -16.548 -16.666 -14.042 1190 HB2 TRP 65 2HB TRP 65 -15.103 -10.100 -11.115 1191 HB3 TRP 65 1HB TRP 65 -14.183 -10.821 -12.428 1192 H LEU 66 H LEU 66 -13.993 -13.933 -9.760 1193 HA LEU 66 HA LEU 66 -16.008 -13.491 -7.795 1194 HG LEU 66 HG LEU 66 -15.931 -15.252 -10.253 1195 HB2 LEU 66 2HB LEU 66 -14.356 -15.930 -8.441 1196 HB3 LEU 66 1HB LEU 66 -15.700 -15.917 -7.316 1197 HD11 LEU 66 1HD1 LEU 66 -16.633 -17.785 -8.775 1198 HD12 LEU 66 2HD1 LEU 66 -15.324 -17.589 -9.941 1199 HD13 LEU 66 3HD1 LEU 66 -17.002 -17.443 -10.465 1200 HD21 LEU 66 3HD2 LEU 66 -18.336 -15.478 -9.841 1201 HD22 LEU 66 1HD2 LEU 66 -17.630 -14.183 -8.876 1202 HD23 LEU 66 2HD2 LEU 66 -18.015 -15.733 -8.126 1203 H GLN 67 H GLN 67 -12.568 -13.519 -7.726 1204 HA GLN 67 HA GLN 67 -12.624 -13.555 -4.780 1205 HB2 GLN 67 2HB GLN 67 -11.548 -15.559 -6.020 1206 HB3 GLN 67 1HB GLN 67 -10.246 -14.442 -6.396 1207 HG2 GLN 67 2HG GLN 67 -9.330 -14.843 -4.435 1208 HG3 GLN 67 1HG GLN 67 -10.772 -14.225 -3.632 1209 HE21 GLN 67 2HE2 GLN 67 -11.095 -18.207 -4.402 1210 HE22 GLN 67 1HE2 GLN 67 -10.765 -17.075 -5.667 1211 H THR 68 H THR 68 -10.463 -12.427 -3.945 1212 HA THR 68 HA THR 68 -10.383 -9.914 -5.455 1213 HB THR 68 HB THR 68 -11.552 -9.342 -3.562 1214 HG1 THR 68 1HG THR 68 -9.331 -8.243 -3.863 1215 HG21 THR 68 3HG2 THR 68 -11.238 -11.486 -2.389 1216 HG22 THR 68 1HG2 THR 68 -11.081 -10.098 -1.308 1217 HG23 THR 68 2HG2 THR 68 -9.642 -10.950 -1.869 1218 H GLY 69 H GLY 69 -8.288 -11.457 -2.900 1219 HA2 GLY 69 2HA GLY 69 -6.008 -10.541 -4.497 1220 HA3 GLY 69 1HA GLY 69 -6.225 -9.798 -2.929 1221 H ASP 70 H ASP 70 -7.264 -12.787 -2.298 1222 HA ASP 70 HA ASP 70 -4.786 -13.539 -1.048 1223 HB2 ASP 70 2HB ASP 70 -7.426 -15.008 -1.312 1224 HB3 ASP 70 1HB ASP 70 -6.053 -15.612 -0.388 1225 H GLU 71 H GLU 71 -6.027 -13.878 -4.099 1226 HA GLU 71 HA GLU 71 -4.697 -16.419 -4.685 1227 HB2 GLU 71 2HB GLU 71 -6.555 -14.737 -6.381 1228 HB3 GLU 71 1HB GLU 71 -5.989 -16.363 -6.755 1229 HG2 GLU 71 2HG GLU 71 -7.494 -15.781 -4.243 1230 HG3 GLU 71 1HG GLU 71 -8.341 -16.079 -5.757 1231 H ILE 72 H ILE 72 -3.701 -13.439 -4.417 1232 HA ILE 72 HA ILE 72 -2.439 -13.119 -7.027 1233 HB ILE 72 HB ILE 72 -2.567 -11.286 -4.629 1234 HG12 ILE 72 2HG1 ILE 72 -4.674 -11.507 -5.890 1235 HG13 ILE 72 1HG1 ILE 72 -3.985 -9.896 -6.068 1236 HG21 ILE 72 1HG2 ILE 72 -1.308 -10.772 -7.318 1237 HG22 ILE 72 2HG2 ILE 72 -0.444 -10.998 -5.797 1238 HG23 ILE 72 3HG2 ILE 72 -1.493 -9.596 -6.017 1239 HD11 ILE 72 3HD1 ILE 72 -3.106 -10.530 -8.268 1240 HD12 ILE 72 1HD1 ILE 72 -4.861 -10.694 -8.176 1241 HD13 ILE 72 2HD1 ILE 72 -3.835 -12.126 -8.085 1242 H LYS 73 H LYS 73 -0.557 -14.049 -7.344 1243 HA LYS 73 HA LYS 73 1.553 -13.795 -5.354 1244 HB2 LYS 73 2HB LYS 73 0.419 -16.008 -4.950 1245 HB3 LYS 73 1HB LYS 73 0.867 -16.475 -6.585 1246 HG2 LYS 73 2HG LYS 73 3.277 -15.763 -5.677 1247 HG3 LYS 73 1HG LYS 73 2.528 -16.234 -4.152 1248 HD2 LYS 73 2HD LYS 73 2.835 -17.924 -6.630 1249 HD3 LYS 73 1HD LYS 73 3.656 -18.138 -5.085 1250 HE2 LYS 73 2HE LYS 73 1.469 -18.565 -4.023 1251 HE3 LYS 73 1HE LYS 73 0.702 -18.431 -5.606 1252 HZ1 LYS 73 3HZ LYS 73 2.572 -20.509 -4.641 1253 HZ2 LYS 73 1HZ LYS 73 2.294 -20.266 -6.298 1254 HZ3 LYS 73 2HZ LYS 73 1.011 -20.701 -5.284 1255 H HIS 74 H HIS 74 3.523 -13.502 -6.304 1256 HA HIS 74 HA HIS 74 4.242 -14.666 -8.756 1257 HD1 HIS 74 1HD HIS 74 4.739 -10.791 -11.230 1258 HD2 HIS 74 2HD HIS 74 4.760 -14.946 -11.014 1259 HE1 HIS 74 1HE HIS 74 5.950 -11.574 -13.288 1260 HE2 HIS 74 2HE HIS 74 6.125 -14.077 -13.024 1261 HB2 HIS 74 2HB HIS 74 2.708 -12.819 -9.564 1262 HB3 HIS 74 1HB HIS 74 3.911 -11.673 -8.993 1263 H ALA 75 H ALA 75 5.591 -11.581 -8.599 1264 HA ALA 75 HA ALA 75 8.110 -12.705 -7.902 1265 HB1 ALA 75 3HB ALA 75 7.924 -11.027 -9.647 1266 HB2 ALA 75 1HB ALA 75 8.997 -10.482 -8.360 1267 HB3 ALA 75 2HB ALA 75 7.353 -9.845 -8.467 1268 H ASP 76 H ASP 76 9.352 -12.371 -6.146 1269 HA ASP 76 HA ASP 76 8.098 -11.654 -3.667 1270 HB2 ASP 76 2HB ASP 76 9.798 -13.424 -3.787 1271 HB3 ASP 76 1HB ASP 76 10.997 -12.256 -4.331 1272 H ASP 77 H ASP 77 9.863 -10.054 -6.087 1273 HA ASP 77 HA ASP 77 10.933 -7.858 -4.657 1274 HB2 ASP 77 2HB ASP 77 11.681 -8.481 -6.912 1275 HB3 ASP 77 1HB ASP 77 10.094 -8.094 -7.561 1276 H CYS 78 H CYS 78 7.736 -8.670 -5.556 1277 HA CYS 78 HA CYS 78 6.810 -5.922 -5.703 1278 HG CYS 78 HG CYS 78 7.247 -7.143 -8.109 1279 HB2 CYS 78 2HB CYS 78 5.245 -8.503 -5.872 1280 HB3 CYS 78 1HB CYS 78 4.661 -6.895 -6.290 1281 HA PRO 79 HA PRO 79 6.057 -5.747 -1.337 1282 HB2 PRO 79 1HB PRO 79 5.666 -3.525 -1.001 1283 HB3 PRO 79 2HB PRO 79 4.244 -3.522 -2.048 1284 HG2 PRO 79 2HG PRO 79 5.741 -2.377 -3.411 1285 HG3 PRO 79 1HG PRO 79 7.140 -3.266 -2.775 1286 HD2 PRO 79 2HD PRO 79 5.086 -4.140 -4.775 1287 HD3 PRO 79 1HD PRO 79 6.847 -4.378 -4.792 1288 H VAL 80 H VAL 80 3.791 -6.555 -3.665 1289 HA VAL 80 HA VAL 80 1.351 -6.482 -2.295 1290 HB VAL 80 HB VAL 80 2.226 -8.559 -4.311 1291 HG11 VAL 80 1HG1 VAL 80 -0.162 -8.744 -4.816 1292 HG12 VAL 80 2HG1 VAL 80 -0.525 -7.566 -3.557 1293 HG13 VAL 80 3HG1 VAL 80 0.157 -9.132 -3.125 1294 HG21 VAL 80 3HG2 VAL 80 0.963 -5.856 -4.754 1295 HG22 VAL 80 1HG2 VAL 80 1.209 -7.084 -5.996 1296 HG23 VAL 80 2HG2 VAL 80 2.599 -6.334 -5.208 1297 H VAL 81 H VAL 81 3.966 -8.872 -2.305 1298 HA VAL 81 HA VAL 81 2.637 -10.878 -0.848 1299 HB VAL 81 HB VAL 81 4.908 -11.677 -0.219 1300 HG11 VAL 81 1HG1 VAL 81 4.490 -10.995 -3.123 1301 HG12 VAL 81 2HG1 VAL 81 3.875 -12.416 -2.282 1302 HG13 VAL 81 3HG1 VAL 81 5.612 -12.214 -2.515 1303 HG21 VAL 81 3HG2 VAL 81 5.822 -9.241 -1.733 1304 HG22 VAL 81 1HG2 VAL 81 6.864 -10.575 -1.235 1305 HG23 VAL 81 2HG2 VAL 81 6.070 -9.573 -0.019 1306 H ILE 82 H ILE 82 4.450 -8.065 0.176 1307 HA ILE 82 HA ILE 82 4.497 -8.619 2.947 1308 HB ILE 82 HB ILE 82 4.564 -5.929 1.563 1309 HG12 ILE 82 2HG1 ILE 82 6.353 -7.408 0.777 1310 HG13 ILE 82 1HG1 ILE 82 7.013 -6.111 1.766 1311 HG21 ILE 82 1HG2 ILE 82 4.029 -5.730 3.929 1312 HG22 ILE 82 2HG2 ILE 82 5.650 -5.120 3.601 1313 HG23 ILE 82 3HG2 ILE 82 5.441 -6.706 4.344 1314 HD11 ILE 82 3HD1 ILE 82 6.514 -8.933 2.674 1315 HD12 ILE 82 1HD1 ILE 82 7.203 -7.638 3.652 1316 HD13 ILE 82 2HD1 ILE 82 8.079 -8.244 2.244 1317 H ALA 83 H ALA 83 2.364 -6.598 0.954 1318 HA ALA 83 HA ALA 83 0.774 -5.573 2.999 1319 HB1 ALA 83 3HB ALA 83 -0.824 -4.983 1.280 1320 HB2 ALA 83 1HB ALA 83 -0.074 -6.117 0.157 1321 HB3 ALA 83 2HB ALA 83 0.815 -4.692 0.696 1322 H LYS 84 H LYS 84 0.268 -8.495 1.021 1323 HA LYS 84 HA LYS 84 -2.250 -9.053 2.182 1324 HB2 LYS 84 2HB LYS 84 -2.231 -11.106 1.002 1325 HB3 LYS 84 1HB LYS 84 -1.495 -9.906 -0.042 1326 HG2 LYS 84 2HG LYS 84 0.727 -10.780 0.610 1327 HG3 LYS 84 1HG LYS 84 -0.083 -12.042 1.540 1328 HD2 LYS 84 2HD LYS 84 -0.252 -11.585 -1.439 1329 HD3 LYS 84 1HD LYS 84 0.535 -12.929 -0.612 1330 HE2 LYS 84 2HE LYS 84 -2.422 -12.327 -0.509 1331 HE3 LYS 84 1HE LYS 84 -1.672 -13.527 -1.558 1332 HZ1 LYS 84 3HZ LYS 84 -1.430 -13.596 1.394 1333 HZ2 LYS 84 1HZ LYS 84 -1.021 -14.815 0.295 1334 HZ3 LYS 84 2HZ LYS 84 -2.648 -14.414 0.554 1335 H GLN 85 H GLN 85 1.020 -9.831 3.134 1336 HA GLN 85 HA GLN 85 0.309 -11.822 5.044 1337 HB2 GLN 85 2HB GLN 85 2.749 -10.160 4.529 1338 HB3 GLN 85 1HB GLN 85 2.628 -11.125 5.988 1339 HG2 GLN 85 2HG GLN 85 2.333 -13.139 4.638 1340 HG3 GLN 85 1HG GLN 85 2.446 -12.164 3.172 1341 HE21 GLN 85 2HE2 GLN 85 5.913 -11.864 3.230 1342 HE22 GLN 85 1HE2 GLN 85 4.414 -11.295 2.576 1343 H ILE 86 H ILE 86 0.719 -8.322 5.131 1344 HA ILE 86 HA ILE 86 0.624 -7.972 7.916 1345 HB ILE 86 HB ILE 86 -0.334 -6.076 5.760 1346 HG12 ILE 86 2HG1 ILE 86 2.313 -6.215 7.225 1347 HG13 ILE 86 1HG1 ILE 86 2.040 -6.774 5.575 1348 HG21 ILE 86 1HG2 ILE 86 -1.268 -5.451 7.902 1349 HG22 ILE 86 2HG2 ILE 86 0.016 -4.321 7.468 1350 HG23 ILE 86 3HG2 ILE 86 0.316 -5.582 8.663 1351 HD11 ILE 86 3HD1 ILE 86 3.097 -4.596 5.598 1352 HD12 ILE 86 1HD1 ILE 86 1.775 -3.940 6.561 1353 HD13 ILE 86 2HD1 ILE 86 1.477 -4.488 4.911 1354 H LEU 87 H LEU 87 -1.969 -8.061 5.496 1355 HA LEU 87 HA LEU 87 -4.009 -7.584 7.455 1356 HG LEU 87 HG LEU 87 -3.171 -8.851 4.074 1357 HB2 LEU 87 2HB LEU 87 -5.593 -8.032 5.635 1358 HB3 LEU 87 1HB LEU 87 -4.394 -6.828 5.218 1359 HD11 LEU 87 1HD1 LEU 87 -4.652 -10.592 4.914 1360 HD12 LEU 87 2HD1 LEU 87 -4.733 -10.494 3.154 1361 HD13 LEU 87 3HD1 LEU 87 -6.029 -9.811 4.135 1362 HD21 LEU 87 3HD2 LEU 87 -4.010 -6.911 2.887 1363 HD22 LEU 87 1HD2 LEU 87 -5.648 -7.563 2.936 1364 HD23 LEU 87 2HD2 LEU 87 -4.399 -8.383 1.999 1365 H SER 88 H SER 88 -2.253 -10.331 6.579 1366 HA SER 88 HA SER 88 -4.304 -12.245 7.234 1367 HG SER 88 HG SER 88 -2.408 -12.130 4.825 1368 HB2 SER 88 2HB SER 88 -1.335 -12.528 6.715 1369 HB3 SER 88 1HB SER 88 -2.407 -13.883 7.049 1370 H SER 89 H SER 89 -4.379 -10.677 9.283 1371 HA SER 89 HA SER 89 -3.332 -12.288 11.458 1372 HG SER 89 HG SER 89 -1.305 -10.815 13.053 1373 HB2 SER 89 2HB SER 89 -1.609 -10.495 11.008 1374 HB3 SER 89 1HB SER 89 -2.842 -9.298 11.400 1375 H ARG 90 H ARG 90 -5.003 -12.639 12.764 1376 HA ARG 90 HA ARG 90 -7.358 -10.930 12.504 1377 HE ARG 90 HE ARG 90 -10.207 -13.688 12.218 1378 HB2 ARG 90 2HB ARG 90 -7.071 -13.587 13.922 1379 HB3 ARG 90 1HB ARG 90 -8.575 -12.741 13.579 1380 HG2 ARG 90 2HG ARG 90 -8.137 -12.998 11.171 1381 HG3 ARG 90 1HG ARG 90 -6.683 -13.921 11.555 1382 HD2 ARG 90 2HD ARG 90 -8.392 -15.496 11.094 1383 HD3 ARG 90 1HD ARG 90 -8.147 -15.505 12.838 1384 HH11 ARG 90 1HH1 ARG 90 -9.556 -17.133 12.359 1385 HH12 ARG 90 2HH1 ARG 90 -11.240 -17.571 12.457 1386 HH21 ARG 90 2HH2 ARG 90 -12.857 -15.945 12.510 1387 HH22 ARG 90 1HH2 ARG 90 -12.422 -14.265 12.366 1388 HA PRO 91 HA PRO 91 -6.907 -8.840 16.380 1389 HB2 PRO 91 1HB PRO 91 -8.956 -7.905 16.827 1390 HB3 PRO 91 2HB PRO 91 -9.789 -9.464 16.776 1391 HG2 PRO 91 2HG PRO 91 -10.471 -8.565 14.744 1392 HG3 PRO 91 1HG PRO 91 -8.941 -7.696 14.516 1393 HD2 PRO 91 2HD PRO 91 -9.564 -10.587 14.073 1394 HD3 PRO 91 1HD PRO 91 -8.532 -9.499 13.121 1395 H LYS 92 H LYS 92 -6.427 -9.401 18.439 1396 HA LYS 92 HA LYS 92 -6.750 -12.192 19.161 1397 HB2 LYS 92 2HB LYS 92 -4.624 -10.612 19.386 1398 HB3 LYS 92 1HB LYS 92 -5.371 -10.202 20.918 1399 HG2 LYS 92 2HG LYS 92 -4.932 -13.068 20.210 1400 HG3 LYS 92 1HG LYS 92 -3.586 -12.089 20.786 1401 HD2 LYS 92 2HD LYS 92 -6.196 -12.516 22.239 1402 HD3 LYS 92 1HD LYS 92 -4.671 -13.323 22.610 1403 HE2 LYS 92 2HE LYS 92 -3.654 -11.131 23.092 1404 HE3 LYS 92 1HE LYS 92 -5.202 -10.354 22.761 1405 HZ1 LYS 92 3HZ LYS 92 -4.838 -10.667 25.130 1406 HZ2 LYS 92 1HZ LYS 92 -4.692 -12.341 24.916 1407 HZ3 LYS 92 2HZ LYS 92 -6.175 -11.570 24.609 1408 H LEU 93 H LEU 93 -8.522 -9.479 19.470 1409 HA LEU 93 HA LEU 93 -10.398 -8.939 20.614 1410 HG LEU 93 HG LEU 93 -12.486 -9.833 21.332 1411 HB2 LEU 93 2HB LEU 93 -10.647 -11.518 20.636 1412 HB3 LEU 93 1HB LEU 93 -10.120 -11.414 22.301 1413 HD11 LEU 93 1HD1 LEU 93 -12.491 -12.664 22.366 1414 HD12 LEU 93 2HD1 LEU 93 -12.888 -12.161 20.722 1415 HD13 LEU 93 3HD1 LEU 93 -13.917 -11.671 22.068 1416 HD21 LEU 93 3HD2 LEU 93 -11.558 -9.256 23.515 1417 HD22 LEU 93 1HD2 LEU 93 -11.698 -10.939 24.024 1418 HD23 LEU 93 2HD2 LEU 93 -13.149 -9.999 23.678 1419 H HIS 94 H HIS 94 -10.805 -7.667 22.371 1420 HA HIS 94 HA HIS 94 -8.465 -6.938 23.879 1421 HD1 HIS 94 1HD HIS 94 -8.618 -3.368 23.724 1422 HD2 HIS 94 2HD HIS 94 -10.617 -5.326 26.804 1423 HE1 HIS 94 1HE HIS 94 -8.162 -2.021 25.800 1424 HE2 HIS 94 2HE HIS 94 -9.577 -3.094 27.590 1425 HB2 HIS 94 2HB HIS 94 -9.989 -5.254 22.898 1426 HB3 HIS 94 1HB HIS 94 -11.272 -5.806 23.966 1427 H ALA 95 H ALA 95 -7.957 -8.306 25.490 1428 HA ALA 95 HA ALA 95 -7.971 -9.180 27.581 1429 HB1 ALA 95 3HB ALA 95 -10.362 -7.395 28.019 1430 HB2 ALA 95 1HB ALA 95 -8.675 -6.924 28.222 1431 HB3 ALA 95 2HB ALA 95 -9.379 -8.154 29.273 1432 H VAL 96 H VAL 96 -10.462 -9.483 29.172 1433 HA VAL 96 HA VAL 96 -11.643 -11.270 29.825 1434 HB VAL 96 HB VAL 96 -13.624 -11.731 28.404 1435 HG11 VAL 96 1HG1 VAL 96 -13.625 -9.989 30.084 1436 HG12 VAL 96 2HG1 VAL 96 -14.583 -9.500 28.686 1437 HG13 VAL 96 3HG1 VAL 96 -12.963 -8.843 28.919 1438 HG21 VAL 96 3HG2 VAL 96 -12.405 -9.678 26.563 1439 HG22 VAL 96 1HG2 VAL 96 -14.047 -10.311 26.453 1440 HG23 VAL 96 2HG2 VAL 96 -12.671 -11.381 26.187 Start of MODEL 8 1 HA MET 1 HA MET 1 12.558 17.760 -16.807 2 H1 MET 1 1H MET 1 11.320 17.178 -19.433 3 H2 MET 1 2H MET 1 12.953 17.504 -19.116 4 H3 MET 1 3H MET 1 11.793 18.723 -18.912 5 HB2 MET 1 2HB MET 1 10.345 17.478 -15.831 6 HB3 MET 1 1HB MET 1 10.317 18.786 -17.003 7 HG2 MET 1 2HG MET 1 9.258 17.345 -18.632 8 HG3 MET 1 1HG MET 1 9.354 15.983 -17.518 9 HE1 MET 1 3HE MET 1 8.016 15.887 -15.193 10 HE2 MET 1 1HE MET 1 6.958 17.183 -14.633 11 HE3 MET 1 2HE MET 1 8.697 17.453 -14.748 12 H GLY 2 H GLY 2 11.716 15.876 -15.283 13 HA2 GLY 2 2HA GLY 2 11.179 13.543 -15.124 14 HA3 GLY 2 1HA GLY 2 11.764 13.329 -16.767 15 H SER 3 H SER 3 12.881 14.280 -13.532 16 HA SER 3 HA SER 3 15.598 13.547 -14.175 17 HG SER 3 HG SER 3 17.039 14.663 -12.694 18 HB2 SER 3 2HB SER 3 14.896 15.466 -12.626 19 HB3 SER 3 1HB SER 3 14.527 14.223 -11.431 20 H SER 4 H SER 4 16.402 11.570 -13.981 21 HA SER 4 HA SER 4 14.832 9.572 -12.499 22 HG SER 4 HG SER 4 14.499 10.078 -14.944 23 HB2 SER 4 2HB SER 4 16.900 9.143 -14.668 24 HB3 SER 4 1HB SER 4 15.865 7.908 -13.949 25 H HIS 5 H HIS 5 15.711 8.408 -10.877 26 HA HIS 5 HA HIS 5 18.524 8.976 -10.204 27 HD1 HIS 5 1HD HIS 5 18.861 10.105 -6.793 28 HD2 HIS 5 2HD HIS 5 15.769 11.281 -9.320 29 HE1 HIS 5 1HE HIS 5 18.636 12.589 -6.484 30 HE2 HIS 5 2HE HIS 5 16.644 13.249 -7.878 31 HB2 HIS 5 2HB HIS 5 16.126 8.452 -8.463 32 HB3 HIS 5 1HB HIS 5 17.753 8.165 -7.863 33 H HIS 6 H HIS 6 16.171 6.451 -9.332 34 HA HIS 6 HA HIS 6 16.346 4.196 -9.149 35 HD1 HIS 6 1HD HIS 6 15.932 2.067 -12.020 36 HD2 HIS 6 2HD HIS 6 16.336 6.186 -12.469 37 HE1 HIS 6 1HE HIS 6 14.228 2.738 -13.745 38 HE2 HIS 6 2HE HIS 6 14.612 5.201 -14.127 39 HB2 HIS 6 2HB HIS 6 18.478 4.521 -11.276 40 HB3 HIS 6 1HB HIS 6 17.856 2.972 -10.726 41 H HIS 7 H HIS 7 18.113 2.375 -8.671 42 HA HIS 7 HA HIS 7 19.615 1.610 -7.131 43 HD1 HIS 7 1HD HIS 7 21.589 4.205 -10.284 44 HD2 HIS 7 2HD HIS 7 21.402 0.291 -8.897 45 HE1 HIS 7 1HE HIS 7 22.047 2.755 -12.288 46 HE2 HIS 7 2HE HIS 7 21.716 0.392 -11.463 47 HB2 HIS 7 2HB HIS 7 21.146 4.120 -7.872 48 HB3 HIS 7 1HB HIS 7 21.815 2.696 -7.084 49 H HIS 8 H HIS 8 17.538 2.726 -5.910 50 HA HIS 8 HA HIS 8 18.330 4.933 -4.211 51 HD1 HIS 8 1HD HIS 8 14.621 3.528 -6.391 52 HD2 HIS 8 2HD HIS 8 15.495 1.900 -2.659 53 HE1 HIS 8 1HE HIS 8 13.238 1.436 -6.218 54 HE2 HIS 8 2HE HIS 8 13.954 0.356 -4.057 55 HB2 HIS 8 2HB HIS 8 16.007 4.768 -3.315 56 HB3 HIS 8 1HB HIS 8 16.088 5.013 -5.052 57 H HIS 9 H HIS 9 19.817 2.551 -3.851 58 HA HIS 9 HA HIS 9 20.855 1.497 -2.139 59 HD1 HIS 9 1HD HIS 9 22.572 2.944 0.360 60 HD2 HIS 9 2HD HIS 9 20.102 5.411 -1.899 61 HE1 HIS 9 1HE HIS 9 23.915 5.029 -0.079 62 HE2 HIS 9 2HE HIS 9 22.351 6.561 -1.335 63 HB2 HIS 9 2HB HIS 9 18.997 3.176 -0.453 64 HB3 HIS 9 1HB HIS 9 20.207 2.098 0.229 65 H HIS 10 H HIS 10 20.355 0.066 -0.132 66 HA HIS 10 HA HIS 10 17.846 -1.409 -0.601 67 HD1 HIS 10 1HD HIS 10 19.946 -4.329 1.913 68 HD2 HIS 10 2HD HIS 10 17.360 -4.307 -1.355 69 HE1 HIS 10 1HE HIS 10 18.496 -6.372 2.172 70 HE2 HIS 10 2HE HIS 10 16.946 -6.353 0.178 71 HB2 HIS 10 2HB HIS 10 19.799 -2.712 -1.369 72 HB3 HIS 10 1HB HIS 10 20.531 -2.558 0.225 73 H SER 11 H SER 11 16.700 -0.438 0.995 74 HA SER 11 HA SER 11 17.850 -0.234 3.663 75 HG SER 11 HG SER 11 17.464 2.371 3.353 76 HB2 SER 11 2HB SER 11 15.259 0.833 2.515 77 HB3 SER 11 1HB SER 11 15.851 1.148 4.146 78 H SER 12 H SER 12 15.682 -0.374 5.266 79 HA SER 12 HA SER 12 14.200 -1.696 6.353 80 HG SER 12 HG SER 12 12.674 -1.209 4.672 81 HB2 SER 12 2HB SER 12 14.192 -3.449 3.885 82 HB3 SER 12 1HB SER 12 13.060 -3.553 5.233 83 H GLY 13 H GLY 13 15.847 -2.109 7.841 84 HA2 GLY 13 2HA GLY 13 17.500 -4.452 7.567 85 HA3 GLY 13 1HA GLY 13 17.364 -3.430 8.991 86 H ARG 14 H ARG 14 17.521 -6.110 9.357 87 HA ARG 14 HA ARG 14 14.877 -7.281 9.423 88 HE ARG 14 HE ARG 14 17.876 -9.997 6.427 89 HB2 ARG 14 2HB ARG 14 17.502 -8.320 10.494 90 HB3 ARG 14 1HB ARG 14 16.009 -9.242 10.382 91 HG2 ARG 14 2HG ARG 14 16.055 -8.999 7.939 92 HG3 ARG 14 1HG ARG 14 17.575 -8.110 8.073 93 HD2 ARG 14 2HD ARG 14 18.596 -10.080 9.154 94 HD3 ARG 14 1HD ARG 14 17.089 -10.964 8.913 95 HH11 ARG 14 1HH1 ARG 14 19.001 -12.269 8.847 96 HH12 ARG 14 2HH1 ARG 14 19.921 -13.219 7.711 97 HH21 ARG 14 2HH2 ARG 14 19.927 -12.630 5.463 98 HH22 ARG 14 1HH2 ARG 14 19.048 -11.227 4.941 99 H GLU 15 H GLU 15 13.603 -6.268 10.870 100 HA GLU 15 HA GLU 15 14.290 -6.722 13.674 101 HB2 GLU 15 2HB GLU 15 14.795 -4.350 13.151 102 HB3 GLU 15 1HB GLU 15 13.127 -4.125 12.651 103 HG2 GLU 15 2HG GLU 15 12.333 -4.477 14.865 104 HG3 GLU 15 1HG GLU 15 13.924 -4.997 15.417 105 H ASN 16 H ASN 16 11.542 -4.933 12.381 106 HA ASN 16 HA ASN 16 9.323 -5.358 12.198 107 HB2 ASN 16 2HB ASN 16 9.978 -7.092 10.634 108 HB3 ASN 16 1HB ASN 16 10.256 -8.221 11.956 109 HD21 ASN 16 2HD2 ASN 16 7.071 -9.444 11.254 110 HD22 ASN 16 1HD2 ASN 16 8.787 -9.714 11.224 111 H LEU 17 H LEU 17 8.283 -4.821 14.015 112 HA LEU 17 HA LEU 17 8.089 -6.892 16.103 113 HG LEU 17 HG LEU 17 9.920 -5.726 17.311 114 HB2 LEU 17 2HB LEU 17 7.732 -3.905 16.373 115 HB3 LEU 17 1HB LEU 17 7.418 -5.062 17.650 116 HD11 LEU 17 1HD1 LEU 17 10.266 -4.405 15.285 117 HD12 LEU 17 2HD1 LEU 17 11.328 -3.880 16.591 118 HD13 LEU 17 3HD1 LEU 17 9.898 -2.934 16.182 119 HD21 LEU 17 3HD2 LEU 17 10.589 -3.976 18.912 120 HD22 LEU 17 1HD2 LEU 17 9.062 -4.745 19.343 121 HD23 LEU 17 2HD2 LEU 17 9.064 -3.142 18.606 122 H TYR 18 H TYR 18 6.532 -6.311 13.540 123 HA TYR 18 HA TYR 18 4.415 -6.355 12.753 124 HD1 TYR 18 1HD TYR 18 2.566 -7.875 12.114 125 HD2 TYR 18 2HD TYR 18 1.529 -7.049 16.157 126 HE1 TYR 18 1HE TYR 18 0.185 -8.113 11.546 127 HE2 TYR 18 2HE TYR 18 -0.851 -7.288 15.600 128 HH TYR 18 HH TYR 18 -1.925 -8.548 12.571 129 HB2 TYR 18 2HB TYR 18 4.164 -8.242 14.298 130 HB3 TYR 18 1HB TYR 18 3.756 -7.140 15.600 131 H PHE 19 H PHE 19 2.132 -5.311 13.146 132 HA PHE 19 HA PHE 19 2.668 -2.522 13.569 133 HD1 PHE 19 1HD PHE 19 1.406 -0.822 11.456 134 HD2 PHE 19 2HD PHE 19 1.435 -5.033 10.848 135 HE1 PHE 19 1HE PHE 19 2.295 -0.482 9.189 136 HE2 PHE 19 2HE PHE 19 2.325 -4.703 8.576 137 HZ PHE 19 HZ PHE 19 2.757 -2.424 7.746 138 HB2 PHE 19 2HB PHE 19 0.222 -4.041 12.688 139 HB3 PHE 19 1HB PHE 19 0.207 -2.298 12.935 140 H GLN 20 H GLN 20 2.691 -4.340 15.917 141 HA GLN 20 HA GLN 20 0.806 -2.767 17.542 142 HB2 GLN 20 2HB GLN 20 0.476 -5.348 17.366 143 HB3 GLN 20 1HB GLN 20 1.883 -5.435 18.417 144 HG2 GLN 20 2HG GLN 20 0.736 -4.135 20.109 145 HG3 GLN 20 1HG GLN 20 -0.664 -3.959 19.052 146 HE21 GLN 20 2HE2 GLN 20 -1.955 -7.143 19.696 147 HE22 GLN 20 1HE2 GLN 20 -1.973 -5.764 18.650 148 H GLY 21 H GLY 21 3.735 -2.683 16.556 149 HA2 GLY 21 2HA GLY 21 4.767 -1.504 18.984 150 HA3 GLY 21 1HA GLY 21 5.652 -2.918 18.425 151 H MET 22 H MET 22 7.200 -2.628 16.973 152 HA MET 22 HA MET 22 8.557 -1.732 15.401 153 HB2 MET 22 2HB MET 22 6.119 -0.079 14.740 154 HB3 MET 22 1HB MET 22 7.619 -0.013 13.831 155 HG2 MET 22 2HG MET 22 5.909 -2.460 14.188 156 HG3 MET 22 1HG MET 22 5.925 -1.418 12.767 157 HE1 MET 22 3HE MET 22 7.698 -4.457 11.232 158 HE2 MET 22 1HE MET 22 6.502 -3.180 11.002 159 HE3 MET 22 2HE MET 22 6.267 -4.393 12.261 160 H THR 23 H THR 23 10.186 -0.436 15.599 161 HA THR 23 HA THR 23 10.177 1.638 17.552 162 HB THR 23 HB THR 23 12.407 1.372 15.593 163 HG1 THR 23 1HG THR 23 12.591 -0.726 15.936 164 HG21 THR 23 3HG2 THR 23 12.277 1.448 18.607 165 HG22 THR 23 1HG2 THR 23 12.533 2.847 17.565 166 HG23 THR 23 2HG2 THR 23 13.737 1.561 17.622 167 H ASP 24 H ASP 24 11.351 1.885 14.213 168 HA ASP 24 HA ASP 24 9.490 4.094 13.692 169 HB2 ASP 24 2HB ASP 24 11.675 5.083 14.345 170 HB3 ASP 24 1HB ASP 24 12.458 4.169 13.063 171 H THR 25 H THR 25 10.887 1.222 12.885 172 HA THR 25 HA THR 25 11.333 1.326 10.132 173 HB THR 25 HB THR 25 10.424 -1.224 11.314 174 HG1 THR 25 1HG THR 25 12.309 -1.318 12.650 175 HG21 THR 25 3HG2 THR 25 11.555 -1.099 9.125 176 HG22 THR 25 1HG2 THR 25 12.494 -2.037 10.288 177 HG23 THR 25 2HG2 THR 25 12.966 -0.380 9.904 178 H ALA 26 H ALA 26 8.384 1.373 11.819 179 HA ALA 26 HA ALA 26 6.697 -0.166 10.193 180 HB1 ALA 26 3HB ALA 26 6.043 0.721 12.393 181 HB2 ALA 26 1HB ALA 26 4.870 1.131 11.140 182 HB3 ALA 26 2HB ALA 26 6.008 2.348 11.714 183 H ALA 27 H ALA 27 7.693 3.217 9.990 184 HA ALA 27 HA ALA 27 6.082 3.761 7.676 185 HB1 ALA 27 3HB ALA 27 6.647 5.535 9.246 186 HB2 ALA 27 1HB ALA 27 7.243 5.910 7.631 187 HB3 ALA 27 2HB ALA 27 8.359 5.336 8.871 188 H GLU 28 H GLU 28 9.236 2.546 8.309 189 HA GLU 28 HA GLU 28 10.551 3.311 5.949 190 HB2 GLU 28 2HB GLU 28 11.088 0.944 7.747 191 HB3 GLU 28 1HB GLU 28 12.214 1.635 6.587 192 HG2 GLU 28 2HG GLU 28 11.066 3.198 8.880 193 HG3 GLU 28 1HG GLU 28 12.556 2.264 9.001 194 H ASP 29 H ASP 29 8.922 0.244 6.796 195 HA ASP 29 HA ASP 29 9.608 -0.866 4.206 196 HB2 ASP 29 2HB ASP 29 9.657 -2.257 6.275 197 HB3 ASP 29 1HB ASP 29 7.902 -2.107 6.369 198 H VAL 30 H VAL 30 6.661 0.216 5.863 199 HA VAL 30 HA VAL 30 4.890 -0.606 3.823 200 HB VAL 30 HB VAL 30 4.521 1.679 5.773 201 HG11 VAL 30 1HG1 VAL 30 2.945 1.782 3.901 202 HG12 VAL 30 2HG1 VAL 30 2.121 1.332 5.393 203 HG13 VAL 30 3HG1 VAL 30 2.487 0.102 4.183 204 HG21 VAL 30 3HG2 VAL 30 4.996 -0.440 6.904 205 HG22 VAL 30 1HG2 VAL 30 3.717 -1.230 5.981 206 HG23 VAL 30 2HG2 VAL 30 3.314 0.031 7.147 207 H ARG 31 H ARG 31 6.866 2.254 4.248 208 HA ARG 31 HA ARG 31 5.879 3.899 2.227 209 HE ARG 31 HE ARG 31 11.178 4.649 2.040 210 HB2 ARG 31 2HB ARG 31 7.604 4.658 3.752 211 HB3 ARG 31 1HB ARG 31 8.723 3.447 3.150 212 HG2 ARG 31 2HG ARG 31 8.803 4.563 0.994 213 HG3 ARG 31 1HG ARG 31 7.629 5.756 1.559 214 HD2 ARG 31 2HD ARG 31 9.856 6.681 1.702 215 HD3 ARG 31 1HD ARG 31 9.211 6.432 3.323 216 HH11 ARG 31 1HH1 ARG 31 9.818 6.186 4.880 217 HH12 ARG 31 2HH1 ARG 31 11.037 5.549 5.956 218 HH21 ARG 31 2HH2 ARG 31 12.738 4.263 5.138 219 HH22 ARG 31 1HH2 ARG 31 12.796 3.848 3.457 220 H LYS 32 H LYS 32 7.950 1.089 2.088 221 HA LYS 32 HA LYS 32 8.824 1.250 -0.574 222 HB2 LYS 32 2HB LYS 32 9.802 -0.221 1.114 223 HB3 LYS 32 1HB LYS 32 8.307 -1.134 1.207 224 HG2 LYS 32 2HG LYS 32 8.663 -1.768 -1.194 225 HG3 LYS 32 1HG LYS 32 10.266 -1.032 -1.067 226 HD2 LYS 32 2HD LYS 32 9.195 -3.302 0.614 227 HD3 LYS 32 1HD LYS 32 10.418 -3.425 -0.653 228 HE2 LYS 32 2HE LYS 32 12.017 -2.302 0.612 229 HE3 LYS 32 1HE LYS 32 10.811 -1.596 1.683 230 HZ1 LYS 32 3HZ LYS 32 10.474 -3.669 2.746 231 HZ2 LYS 32 1HZ LYS 32 12.147 -3.425 2.668 232 HZ3 LYS 32 2HZ LYS 32 11.403 -4.502 1.591 233 H ILE 33 H ILE 33 6.013 -0.338 0.878 234 HA ILE 33 HA ILE 33 5.004 -1.345 -1.604 235 HB ILE 33 HB ILE 33 3.374 -0.910 0.898 236 HG12 ILE 33 2HG1 ILE 33 5.100 -3.319 0.277 237 HG13 ILE 33 1HG1 ILE 33 5.546 -2.056 1.419 238 HG21 ILE 33 1HG2 ILE 33 2.196 -2.942 0.098 239 HG22 ILE 33 2HG2 ILE 33 3.213 -2.927 -1.345 240 HG23 ILE 33 3HG2 ILE 33 2.099 -1.595 -1.037 241 HD11 ILE 33 3HD1 ILE 33 3.149 -3.861 1.633 242 HD12 ILE 33 1HD1 ILE 33 3.591 -2.596 2.778 243 HD13 ILE 33 2HD1 ILE 33 4.644 -3.994 2.557 244 H ALA 34 H ALA 34 4.336 1.451 0.441 245 HA ALA 34 HA ALA 34 2.043 2.374 -0.902 246 HB1 ALA 34 3HB ALA 34 2.407 4.470 0.293 247 HB2 ALA 34 1HB ALA 34 4.032 3.942 0.731 248 HB3 ALA 34 2HB ALA 34 2.627 3.081 1.357 249 H THR 35 H THR 35 5.478 3.217 -1.312 250 HA THR 35 HA THR 35 5.072 5.296 -3.166 251 HB THR 35 HB THR 35 7.486 3.475 -2.964 252 HG1 THR 35 1HG THR 35 7.190 4.401 -0.968 253 HG21 THR 35 3HG2 THR 35 7.472 4.846 -4.992 254 HG22 THR 35 1HG2 THR 35 8.715 5.395 -3.867 255 HG23 THR 35 2HG2 THR 35 7.205 6.293 -4.019 256 H ALA 36 H ALA 36 5.241 1.827 -3.502 257 HA ALA 36 HA ALA 36 5.470 1.777 -6.341 258 HB1 ALA 36 3HB ALA 36 4.491 -0.358 -4.447 259 HB2 ALA 36 1HB ALA 36 6.163 -0.107 -4.951 260 HB3 ALA 36 2HB ALA 36 4.949 -0.595 -6.133 261 H LEU 37 H LEU 37 2.728 1.297 -4.107 262 HA LEU 37 HA LEU 37 0.851 0.775 -6.137 263 HG LEU 37 HG LEU 37 1.387 2.251 -2.787 264 HB2 LEU 37 2HB LEU 37 -0.846 1.088 -4.396 265 HB3 LEU 37 1HB LEU 37 0.457 0.040 -3.883 266 HD11 LEU 37 1HD1 LEU 37 -0.385 3.710 -1.973 267 HD12 LEU 37 2HD1 LEU 37 -1.577 2.806 -2.908 268 HD13 LEU 37 3HD1 LEU 37 -0.323 3.727 -3.737 269 HD21 LEU 37 3HD2 LEU 37 0.211 1.655 -0.728 270 HD22 LEU 37 1HD2 LEU 37 0.763 0.218 -1.592 271 HD23 LEU 37 2HD2 LEU 37 -0.935 0.688 -1.659 272 H LEU 38 H LEU 38 2.094 3.758 -4.883 273 HA LEU 38 HA LEU 38 -0.005 5.458 -5.666 274 HG LEU 38 HG LEU 38 1.590 7.903 -6.579 275 HB2 LEU 38 2HB LEU 38 1.867 6.103 -4.170 276 HB3 LEU 38 1HB LEU 38 2.945 6.087 -5.552 277 HD11 LEU 38 1HD1 LEU 38 -0.523 7.495 -5.471 278 HD12 LEU 38 2HD1 LEU 38 0.019 9.141 -5.153 279 HD13 LEU 38 3HD1 LEU 38 0.189 7.902 -3.910 280 HD21 LEU 38 3HD2 LEU 38 2.709 8.494 -3.841 281 HD22 LEU 38 1HD2 LEU 38 2.413 9.684 -5.109 282 HD23 LEU 38 2HD2 LEU 38 3.623 8.424 -5.347 283 H LYS 39 H LYS 39 2.777 4.194 -7.407 284 HA LYS 39 HA LYS 39 1.969 5.574 -9.832 285 HB2 LYS 39 2HB LYS 39 4.363 3.890 -9.128 286 HB3 LYS 39 1HB LYS 39 4.055 4.500 -10.742 287 HG2 LYS 39 2HG LYS 39 4.398 6.206 -8.289 288 HG3 LYS 39 1HG LYS 39 5.648 5.890 -9.493 289 HD2 LYS 39 2HD LYS 39 4.363 6.997 -11.199 290 HD3 LYS 39 1HD LYS 39 2.986 7.172 -10.111 291 HE2 LYS 39 2HE LYS 39 5.692 8.450 -9.710 292 HE3 LYS 39 1HE LYS 39 4.274 9.261 -10.375 293 HZ1 LYS 39 3HZ LYS 39 3.118 8.728 -8.262 294 HZ2 LYS 39 1HZ LYS 39 4.423 9.801 -8.080 295 HZ3 LYS 39 2HZ LYS 39 4.590 8.170 -7.630 296 H THR 40 H THR 40 2.612 2.234 -8.764 297 HA THR 40 HA THR 40 1.488 1.303 -11.300 298 HB THR 40 HB THR 40 2.511 -0.925 -10.547 299 HG1 THR 40 1HG THR 40 2.850 0.022 -8.333 300 HG21 THR 40 3HG2 THR 40 4.285 1.441 -11.146 301 HG22 THR 40 1HG2 THR 40 3.466 0.423 -12.330 302 HG23 THR 40 2HG2 THR 40 4.748 -0.250 -11.323 303 H ALA 41 H ALA 41 -0.455 2.127 -9.588 304 HA ALA 41 HA ALA 41 -1.881 -0.430 -9.395 305 HB1 ALA 41 3HB ALA 41 -2.078 1.764 -7.330 306 HB2 ALA 41 1HB ALA 41 -1.328 0.185 -7.099 307 HB3 ALA 41 2HB ALA 41 -3.064 0.302 -7.383 308 H ILE 42 H ILE 42 -1.548 2.242 -10.994 309 HA ILE 42 HA ILE 42 -4.414 2.837 -11.275 310 HB ILE 42 HB ILE 42 -2.008 4.633 -11.608 311 HG12 ILE 42 2HG1 ILE 42 -3.500 6.125 -10.122 312 HG13 ILE 42 1HG1 ILE 42 -4.447 4.672 -9.832 313 HG21 ILE 42 1HG2 ILE 42 -3.485 6.366 -12.471 314 HG22 ILE 42 2HG2 ILE 42 -4.830 5.225 -12.473 315 HG23 ILE 42 3HG2 ILE 42 -3.447 4.961 -13.535 316 HD11 ILE 42 3HD1 ILE 42 -1.532 5.050 -9.184 317 HD12 ILE 42 1HD1 ILE 42 -2.462 3.577 -8.909 318 HD13 ILE 42 2HD1 ILE 42 -2.873 5.053 -8.037 319 H GLU 43 H GLU 43 -5.305 2.693 -13.274 320 HA GLU 43 HA GLU 43 -3.568 1.740 -15.442 321 HB2 GLU 43 2HB GLU 43 -5.714 0.923 -16.459 322 HB3 GLU 43 1HB GLU 43 -5.303 0.161 -14.929 323 HG2 GLU 43 2HG GLU 43 -6.909 1.492 -13.764 324 HG3 GLU 43 1HG GLU 43 -7.219 2.460 -15.200 325 H ILE 44 H ILE 44 -3.562 2.741 -17.426 326 HA ILE 44 HA ILE 44 -4.953 5.312 -17.565 327 HB ILE 44 HB ILE 44 -3.436 5.707 -19.543 328 HG12 ILE 44 2HG1 ILE 44 -1.889 3.376 -18.395 329 HG13 ILE 44 1HG1 ILE 44 -2.823 3.310 -19.886 330 HG21 ILE 44 1HG2 ILE 44 -3.062 6.757 -17.396 331 HG22 ILE 44 2HG2 ILE 44 -1.525 6.336 -18.150 332 HG23 ILE 44 3HG2 ILE 44 -2.165 5.344 -16.840 333 HD11 ILE 44 3HD1 ILE 44 -0.463 5.110 -19.380 334 HD12 ILE 44 1HD1 ILE 44 -1.383 4.993 -20.881 335 HD13 ILE 44 2HD1 ILE 44 -0.443 3.614 -20.312 336 H VAL 45 H VAL 45 -6.837 5.230 -18.564 337 HA VAL 45 HA VAL 45 -7.235 3.261 -20.706 338 HB VAL 45 HB VAL 45 -9.398 5.021 -19.631 339 HG11 VAL 45 1HG1 VAL 45 -9.398 2.252 -20.798 340 HG12 VAL 45 2HG1 VAL 45 -9.898 3.738 -21.605 341 HG13 VAL 45 3HG1 VAL 45 -10.822 3.124 -20.235 342 HG21 VAL 45 3HG2 VAL 45 -9.965 3.322 -17.952 343 HG22 VAL 45 1HG2 VAL 45 -8.386 4.050 -17.646 344 HG23 VAL 45 2HG2 VAL 45 -8.492 2.441 -18.360 345 H SER 46 H SER 46 -7.260 3.916 -22.751 346 HA SER 46 HA SER 46 -6.833 6.726 -23.270 347 HG SER 46 HG SER 46 -6.536 6.022 -26.651 348 HB2 SER 46 2HB SER 46 -5.510 4.967 -24.452 349 HB3 SER 46 1HB SER 46 -6.980 4.485 -25.296 350 H GLU 47 H GLU 47 -8.144 8.062 -24.375 351 HA GLU 47 HA GLU 47 -10.830 7.122 -25.021 352 HB2 GLU 47 2HB GLU 47 -10.127 9.264 -23.029 353 HB3 GLU 47 1HB GLU 47 -11.699 9.198 -23.809 354 HG2 GLU 47 2HG GLU 47 -12.012 6.921 -22.891 355 HG3 GLU 47 1HG GLU 47 -10.476 7.093 -22.040 356 H GLU 48 H GLU 48 -11.985 8.471 -26.402 357 HA GLU 48 HA GLU 48 -10.469 10.080 -28.202 358 HB2 GLU 48 2HB GLU 48 -12.485 8.756 -28.821 359 HB3 GLU 48 1HB GLU 48 -13.464 9.858 -27.869 360 HG2 GLU 48 2HG GLU 48 -12.610 11.703 -29.364 361 HG3 GLU 48 1HG GLU 48 -11.965 10.427 -30.401 362 H ASP 49 H ASP 49 -12.251 10.586 -25.329 363 HA ASP 49 HA ASP 49 -13.048 13.211 -25.394 364 HB2 ASP 49 2HB ASP 49 -13.633 11.886 -23.515 365 HB3 ASP 49 1HB ASP 49 -11.948 11.541 -23.140 366 H GLY 50 H GLY 50 -9.951 12.158 -23.960 367 HA2 GLY 50 2HA GLY 50 -8.756 14.661 -24.926 368 HA3 GLY 50 1HA GLY 50 -8.682 14.289 -23.211 369 H GLY 51 H GLY 51 -8.527 11.384 -24.707 370 HA2 GLY 51 2HA GLY 51 -6.774 10.037 -25.433 371 HA3 GLY 51 1HA GLY 51 -5.701 11.426 -25.355 372 H ALA 52 H ALA 52 -5.871 8.528 -24.268 373 HA ALA 52 HA ALA 52 -5.474 7.384 -22.298 374 HB1 ALA 52 3HB ALA 52 -3.352 7.755 -23.432 375 HB2 ALA 52 1HB ALA 52 -3.146 7.676 -21.682 376 HB3 ALA 52 2HB ALA 52 -3.112 9.237 -22.506 377 H HIS 53 H HIS 53 -7.115 8.065 -20.850 378 HA HIS 53 HA HIS 53 -6.545 10.246 -19.033 379 HD1 HIS 53 1HD HIS 53 -9.335 11.407 -17.403 380 HD2 HIS 53 2HD HIS 53 -9.282 10.496 -21.461 381 HE1 HIS 53 1HE HIS 53 -10.332 13.394 -18.555 382 HE2 HIS 53 2HE HIS 53 -10.513 12.731 -20.971 383 HB2 HIS 53 2HB HIS 53 -8.835 8.430 -19.505 384 HB3 HIS 53 1HB HIS 53 -8.635 9.030 -17.864 385 H ASN 54 H ASN 54 -5.089 9.962 -17.536 386 HA ASN 54 HA ASN 54 -4.490 7.371 -16.400 387 HB2 ASN 54 2HB ASN 54 -2.728 9.097 -16.796 388 HB3 ASN 54 1HB ASN 54 -3.515 10.148 -15.629 389 HD21 ASN 54 2HD2 ASN 54 -0.625 8.171 -14.215 390 HD22 ASN 54 1HD2 ASN 54 -0.822 8.997 -15.717 391 H GLN 55 H GLN 55 -5.962 6.543 -15.021 392 HA GLN 55 HA GLN 55 -7.296 8.405 -13.175 393 HB2 GLN 55 2HB GLN 55 -8.881 8.003 -14.909 394 HB3 GLN 55 1HB GLN 55 -8.558 6.274 -14.894 395 HG2 GLN 55 2HG GLN 55 -9.536 6.101 -12.669 396 HG3 GLN 55 1HG GLN 55 -9.841 7.837 -12.660 397 HE21 GLN 55 2HE2 GLN 55 -12.275 5.286 -14.676 398 HE22 GLN 55 1HE2 GLN 55 -10.734 4.772 -14.065 399 H CYS 56 H CYS 56 -7.006 7.859 -11.146 400 HA CYS 56 HA CYS 56 -6.229 5.301 -10.240 401 HG CYS 56 HG CYS 56 -7.879 8.857 -9.961 402 HB2 CYS 56 2HB CYS 56 -7.055 6.210 -7.989 403 HB3 CYS 56 1HB CYS 56 -5.761 7.094 -8.784 404 H LYS 57 H LYS 57 -7.384 3.512 -10.026 405 HA LYS 57 HA LYS 57 -10.035 3.523 -11.112 406 HB2 LYS 57 2HB LYS 57 -8.141 1.879 -11.575 407 HB3 LYS 57 1HB LYS 57 -8.505 1.170 -10.012 408 HG2 LYS 57 2HG LYS 57 -10.677 0.509 -10.733 409 HG3 LYS 57 1HG LYS 57 -10.507 1.413 -12.242 410 HD2 LYS 57 2HD LYS 57 -8.562 -0.039 -12.811 411 HD3 LYS 57 1HD LYS 57 -8.918 -1.001 -11.379 412 HE2 LYS 57 2HE LYS 57 -11.005 -1.702 -12.258 413 HE3 LYS 57 1HE LYS 57 -10.924 -0.521 -13.566 414 HZ1 LYS 57 3HZ LYS 57 -9.058 -1.704 -14.509 415 HZ2 LYS 57 1HZ LYS 57 -10.370 -2.768 -14.315 416 HZ3 LYS 57 2HZ LYS 57 -9.066 -2.817 -13.229 417 H LEU 58 H LEU 58 -8.884 3.930 -8.045 418 HA LEU 58 HA LEU 58 -10.697 2.266 -6.593 419 HG LEU 58 HG LEU 58 -10.654 3.242 -3.909 420 HB2 LEU 58 2HB LEU 58 -8.383 3.231 -5.895 421 HB3 LEU 58 1HB LEU 58 -9.305 4.647 -5.427 422 HD11 LEU 58 1HD1 LEU 58 -8.711 1.087 -4.724 423 HD12 LEU 58 2HD1 LEU 58 -10.437 1.129 -5.089 424 HD13 LEU 58 3HD1 LEU 58 -9.892 0.964 -3.417 425 HD21 LEU 58 3HD2 LEU 58 -7.674 3.060 -3.478 426 HD22 LEU 58 1HD2 LEU 58 -8.911 2.891 -2.233 427 HD23 LEU 58 2HD2 LEU 58 -8.699 4.433 -3.060 428 H CYS 59 H CYS 59 -10.458 5.804 -7.022 429 HA CYS 59 HA CYS 59 -13.228 6.040 -6.092 430 HG CYS 59 HG CYS 59 -10.681 9.592 -7.080 431 HB2 CYS 59 2HB CYS 59 -12.670 8.482 -5.899 432 HB3 CYS 59 1HB CYS 59 -11.732 7.426 -4.849 433 H GLY 60 H GLY 60 -11.208 6.390 -8.867 434 HA2 GLY 60 2HA GLY 60 -11.914 6.586 -11.080 435 HA3 GLY 60 1HA GLY 60 -13.523 6.999 -10.506 436 H ALA 61 H ALA 61 -10.247 8.355 -10.271 437 HA ALA 61 HA ALA 61 -11.289 10.882 -11.355 438 HB1 ALA 61 3HB ALA 61 -11.026 11.129 -8.918 439 HB2 ALA 61 1HB ALA 61 -9.904 12.158 -9.810 440 HB3 ALA 61 2HB ALA 61 -9.329 10.666 -9.065 441 H SER 62 H SER 62 -10.034 11.720 -12.980 442 HA SER 62 HA SER 62 -7.504 10.300 -13.483 443 HG SER 62 HG SER 62 -10.673 10.681 -15.742 444 HB2 SER 62 2HB SER 62 -8.031 10.468 -15.910 445 HB3 SER 62 1HB SER 62 -9.152 9.450 -15.009 446 H VAL 63 H VAL 63 -6.007 11.384 -14.910 447 HA VAL 63 HA VAL 63 -6.258 14.311 -14.978 448 HB VAL 63 HB VAL 63 -4.786 13.580 -13.077 449 HG11 VAL 63 1HG1 VAL 63 -2.997 12.550 -15.270 450 HG12 VAL 63 2HG1 VAL 63 -3.863 11.569 -14.089 451 HG13 VAL 63 3HG1 VAL 63 -2.582 12.660 -13.559 452 HG21 VAL 63 3HG2 VAL 63 -2.930 15.094 -13.584 453 HG22 VAL 63 1HG2 VAL 63 -4.483 15.770 -14.078 454 HG23 VAL 63 2HG2 VAL 63 -3.396 15.085 -15.284 455 HA PRO 64 HA PRO 64 -5.098 13.888 -19.311 456 HB2 PRO 64 1HB PRO 64 -5.238 16.108 -19.757 457 HB3 PRO 64 2HB PRO 64 -3.521 16.212 -19.358 458 HG2 PRO 64 2HG PRO 64 -3.926 16.947 -17.216 459 HG3 PRO 64 1HG PRO 64 -5.411 17.555 -17.970 460 HD2 PRO 64 2HD PRO 64 -5.503 15.932 -15.849 461 HD3 PRO 64 1HD PRO 64 -6.688 15.785 -17.164 462 H TRP 65 H TRP 65 -3.538 12.644 -20.102 463 HA TRP 65 HA TRP 65 -1.312 11.862 -18.588 464 HD1 TRP 65 HD TRP 65 -3.593 12.704 -21.879 465 HE1 TRP 65 1HE TRP 65 -3.314 12.885 -24.430 466 HE3 TRP 65 3HE TRP 65 0.554 9.763 -22.445 467 HZ2 TRP 65 2HZ TRP 65 -1.576 11.890 -26.420 468 HZ3 TRP 65 3HZ TRP 65 1.454 9.422 -24.709 469 HH2 TRP 65 HH TRP 65 0.411 10.463 -26.653 470 HB2 TRP 65 2HB TRP 65 -0.659 10.528 -20.515 471 HB3 TRP 65 1HB TRP 65 -2.393 10.405 -20.256 472 H LEU 66 H LEU 66 -1.668 14.388 -20.974 473 HA LEU 66 HA LEU 66 1.219 14.647 -21.249 474 HG LEU 66 HG LEU 66 -0.700 13.898 -23.503 475 HB2 LEU 66 2HB LEU 66 -1.072 16.113 -22.542 476 HB3 LEU 66 1HB LEU 66 0.611 16.527 -22.811 477 HD11 LEU 66 1HD1 LEU 66 0.328 16.127 -25.251 478 HD12 LEU 66 2HD1 LEU 66 -1.365 15.723 -24.970 479 HD13 LEU 66 3HD1 LEU 66 -0.315 14.581 -25.810 480 HD21 LEU 66 3HD2 LEU 66 1.630 13.599 -22.835 481 HD22 LEU 66 1HD2 LEU 66 2.124 14.846 -23.980 482 HD23 LEU 66 2HD2 LEU 66 1.423 13.338 -24.566 483 H GLN 67 H GLN 67 -0.522 15.370 -18.766 484 HA GLN 67 HA GLN 67 0.285 18.143 -18.432 485 HB2 GLN 67 2HB GLN 67 -1.843 17.370 -17.439 486 HB3 GLN 67 1HB GLN 67 -0.951 16.244 -16.424 487 HG2 GLN 67 2HG GLN 67 0.134 18.062 -15.280 488 HG3 GLN 67 1HG GLN 67 -0.615 19.233 -16.363 489 HE21 GLN 67 2HE2 GLN 67 -2.650 17.707 -13.213 490 HE22 GLN 67 1HE2 GLN 67 -1.100 17.089 -13.667 491 H THR 68 H THR 68 0.857 15.183 -16.532 492 HA THR 68 HA THR 68 3.615 15.196 -16.596 493 HB THR 68 HB THR 68 3.601 17.352 -15.481 494 HG1 THR 68 1HG THR 68 5.028 15.418 -14.763 495 HG21 THR 68 3HG2 THR 68 2.701 17.607 -13.193 496 HG22 THR 68 1HG2 THR 68 1.996 15.995 -13.314 497 HG23 THR 68 2HG2 THR 68 1.443 17.282 -14.388 498 H GLY 69 H GLY 69 0.742 14.606 -14.638 499 HA2 GLY 69 2HA GLY 69 0.049 12.563 -13.756 500 HA3 GLY 69 1HA GLY 69 1.606 11.873 -14.200 501 H ASP 70 H ASP 70 1.619 10.876 -12.121 502 HA ASP 70 HA ASP 70 2.375 10.631 -10.006 503 HB2 ASP 70 2HB ASP 70 4.360 11.799 -10.662 504 HB3 ASP 70 1HB ASP 70 3.559 13.358 -10.519 505 H GLU 71 H GLU 71 1.663 14.115 -9.931 506 HA GLU 71 HA GLU 71 0.305 13.877 -7.437 507 HB2 GLU 71 2HB GLU 71 0.790 16.154 -9.331 508 HB3 GLU 71 1HB GLU 71 -0.289 16.336 -7.951 509 HG2 GLU 71 2HG GLU 71 2.620 15.567 -7.848 510 HG3 GLU 71 1HG GLU 71 1.935 17.134 -7.418 511 H ILE 72 H ILE 72 -1.454 12.716 -7.506 512 HA ILE 72 HA ILE 72 -3.608 13.506 -9.356 513 HB ILE 72 HB ILE 72 -3.457 10.935 -7.775 514 HG12 ILE 72 2HG1 ILE 72 -1.563 11.009 -9.338 515 HG13 ILE 72 1HG1 ILE 72 -2.752 9.812 -9.841 516 HG21 ILE 72 1HG2 ILE 72 -5.147 11.746 -10.140 517 HG22 ILE 72 2HG2 ILE 72 -5.692 11.597 -8.470 518 HG23 ILE 72 3HG2 ILE 72 -5.164 10.166 -9.354 519 HD11 ILE 72 3HD1 ILE 72 -1.882 11.049 -11.733 520 HD12 ILE 72 1HD1 ILE 72 -2.409 12.567 -11.003 521 HD13 ILE 72 2HD1 ILE 72 -3.603 11.371 -11.511 522 H LYS 73 H LYS 73 -4.955 14.890 -8.354 523 HA LYS 73 HA LYS 73 -5.273 15.036 -5.537 524 HB2 LYS 73 2HB LYS 73 -6.913 16.191 -7.800 525 HB3 LYS 73 1HB LYS 73 -7.256 16.505 -6.106 526 HG2 LYS 73 2HG LYS 73 -4.674 17.180 -7.504 527 HG3 LYS 73 1HG LYS 73 -5.980 18.318 -7.159 528 HD2 LYS 73 2HD LYS 73 -5.706 17.903 -4.762 529 HD3 LYS 73 1HD LYS 73 -4.409 16.757 -5.106 530 HE2 LYS 73 2HE LYS 73 -3.458 18.876 -4.443 531 HE3 LYS 73 1HE LYS 73 -3.111 18.579 -6.145 532 HZ1 LYS 73 3HZ LYS 73 -4.704 20.150 -6.808 533 HZ2 LYS 73 1HZ LYS 73 -3.852 20.890 -5.545 534 HZ3 LYS 73 2HZ LYS 73 -5.400 20.248 -5.261 535 H HIS 74 H HIS 74 -6.070 13.374 -4.454 536 HA HIS 74 HA HIS 74 -8.203 11.744 -5.612 537 HD1 HIS 74 1HD HIS 74 -4.177 10.946 -4.072 538 HD2 HIS 74 2HD HIS 74 -7.092 9.067 -6.363 539 HE1 HIS 74 1HE HIS 74 -2.922 9.564 -5.756 540 HE2 HIS 74 2HE HIS 74 -4.704 8.547 -7.215 541 HB2 HIS 74 2HB HIS 74 -6.472 11.311 -3.170 542 HB3 HIS 74 1HB HIS 74 -7.714 10.196 -3.723 543 H ALA 75 H ALA 75 -9.750 10.850 -3.822 544 HA ALA 75 HA ALA 75 -10.977 13.112 -2.497 545 HB1 ALA 75 3HB ALA 75 -11.839 10.217 -2.588 546 HB2 ALA 75 1HB ALA 75 -12.372 11.473 -3.705 547 HB3 ALA 75 2HB ALA 75 -12.798 11.574 -1.997 548 H ASP 76 H ASP 76 -11.378 13.161 -0.244 549 HA ASP 76 HA ASP 76 -9.177 12.323 1.349 550 HB2 ASP 76 2HB ASP 76 -10.654 14.388 1.670 551 HB3 ASP 76 1HB ASP 76 -11.834 13.304 2.395 552 H ASP 77 H ASP 77 -11.964 10.780 0.337 553 HA ASP 77 HA ASP 77 -12.395 9.111 2.654 554 HB2 ASP 77 2HB ASP 77 -14.237 9.872 1.151 555 HB3 ASP 77 1HB ASP 77 -13.543 8.904 -0.142 556 H CYS 78 H CYS 78 -10.260 9.120 0.060 557 HA CYS 78 HA CYS 78 -10.149 6.247 -0.313 558 HG CYS 78 HG CYS 78 -11.481 7.506 -2.308 559 HB2 CYS 78 2HB CYS 78 -8.389 8.413 -1.476 560 HB3 CYS 78 1HB CYS 78 -8.476 6.739 -2.014 561 HA PRO 79 HA PRO 79 -6.952 5.622 2.748 562 HB2 PRO 79 1HB PRO 79 -7.605 3.427 2.843 563 HB3 PRO 79 2HB PRO 79 -6.137 3.164 1.892 564 HG2 PRO 79 2HG PRO 79 -7.301 3.063 -0.112 565 HG3 PRO 79 1HG PRO 79 -8.516 2.372 0.978 566 HD2 PRO 79 2HD PRO 79 -9.037 4.498 -0.596 567 HD3 PRO 79 1HD PRO 79 -9.772 4.311 1.010 568 H VAL 80 H VAL 80 -6.533 6.318 -0.436 569 HA VAL 80 HA VAL 80 -3.752 5.733 -0.752 570 HB VAL 80 HB VAL 80 -5.388 7.784 -2.260 571 HG11 VAL 80 1HG1 VAL 80 -3.752 7.403 -4.051 572 HG12 VAL 80 2HG1 VAL 80 -2.869 6.296 -2.998 573 HG13 VAL 80 3HG1 VAL 80 -2.985 8.005 -2.582 574 HG21 VAL 80 3HG2 VAL 80 -4.998 4.853 -2.858 575 HG22 VAL 80 1HG2 VAL 80 -5.775 6.024 -3.926 576 HG23 VAL 80 2HG2 VAL 80 -6.504 5.630 -2.370 577 H VAL 81 H VAL 81 -5.633 8.337 0.590 578 HA VAL 81 HA VAL 81 -3.736 10.403 0.518 579 HB VAL 81 HB VAL 81 -5.889 9.930 2.588 580 HG11 VAL 81 1HG1 VAL 81 -4.224 11.566 3.316 581 HG12 VAL 81 2HG1 VAL 81 -5.773 12.333 2.976 582 HG13 VAL 81 3HG1 VAL 81 -4.452 12.465 1.817 583 HG21 VAL 81 3HG2 VAL 81 -6.804 9.978 0.343 584 HG22 VAL 81 1HG2 VAL 81 -5.948 11.484 0.009 585 HG23 VAL 81 2HG2 VAL 81 -7.236 11.449 1.214 586 H ILE 82 H ILE 82 -4.484 8.089 3.125 587 HA ILE 82 HA ILE 82 -2.413 8.955 4.834 588 HB ILE 82 HB ILE 82 -4.258 7.693 5.716 589 HG12 ILE 82 2HG1 ILE 82 -3.015 5.879 6.955 590 HG13 ILE 82 1HG1 ILE 82 -1.619 6.261 5.955 591 HG21 ILE 82 1HG2 ILE 82 -3.293 5.371 4.085 592 HG22 ILE 82 2HG2 ILE 82 -4.774 6.291 3.825 593 HG23 ILE 82 3HG2 ILE 82 -4.584 5.319 5.285 594 HD11 ILE 82 3HD1 ILE 82 -3.015 8.147 7.834 595 HD12 ILE 82 1HD1 ILE 82 -1.613 8.536 6.835 596 HD13 ILE 82 2HD1 ILE 82 -1.478 7.333 8.121 597 H ALA 83 H ALA 83 -2.604 6.347 2.462 598 HA ALA 83 HA ALA 83 -0.120 5.166 2.827 599 HB1 ALA 83 3HB ALA 83 -1.523 5.533 0.187 600 HB2 ALA 83 1HB ALA 83 -1.916 4.288 1.374 601 HB3 ALA 83 2HB ALA 83 -0.334 4.296 0.594 602 H LYS 84 H LYS 84 -0.960 7.991 0.850 603 HA LYS 84 HA LYS 84 1.588 8.335 -0.312 604 HB2 LYS 84 2HB LYS 84 -0.456 9.441 -1.158 605 HB3 LYS 84 1HB LYS 84 -0.484 10.454 0.281 606 HG2 LYS 84 2HG LYS 84 1.659 11.425 -0.340 607 HG3 LYS 84 1HG LYS 84 1.720 10.392 -1.769 608 HD2 LYS 84 2HD LYS 84 -0.412 11.450 -2.523 609 HD3 LYS 84 1HD LYS 84 -0.264 12.578 -1.175 610 HE2 LYS 84 2HE LYS 84 1.839 13.399 -2.027 611 HE3 LYS 84 1HE LYS 84 1.826 12.195 -3.316 612 HZ1 LYS 84 3HZ LYS 84 -0.233 13.256 -4.141 613 HZ2 LYS 84 1HZ LYS 84 1.122 14.269 -4.213 614 HZ3 LYS 84 2HZ LYS 84 -0.039 14.485 -2.994 615 H GLN 85 H GLN 85 0.182 9.520 2.691 616 HA GLN 85 HA GLN 85 2.351 11.156 3.436 617 HB2 GLN 85 2HB GLN 85 0.317 9.730 5.155 618 HB3 GLN 85 1HB GLN 85 1.372 11.023 5.684 619 HG2 GLN 85 2HG GLN 85 0.324 12.517 4.026 620 HG3 GLN 85 1HG GLN 85 -0.790 11.217 3.613 621 HE21 GLN 85 2HE2 GLN 85 -1.921 11.466 7.230 622 HE22 GLN 85 1HE2 GLN 85 -0.910 10.323 6.425 623 H ILE 86 H ILE 86 1.602 7.750 3.920 624 HA ILE 86 HA ILE 86 3.699 7.112 5.680 625 HB ILE 86 HB ILE 86 2.441 5.321 3.591 626 HG12 ILE 86 2HG1 ILE 86 0.741 6.241 5.072 627 HG13 ILE 86 1HG1 ILE 86 0.999 4.541 5.442 628 HG21 ILE 86 1HG2 ILE 86 3.963 4.637 6.104 629 HG22 ILE 86 2HG2 ILE 86 4.541 4.436 4.451 630 HG23 ILE 86 3HG2 ILE 86 3.175 3.484 5.029 631 HD11 ILE 86 3HD1 ILE 86 2.112 6.865 6.988 632 HD12 ILE 86 1HD1 ILE 86 2.367 5.161 7.362 633 HD13 ILE 86 2HD1 ILE 86 0.748 5.855 7.465 634 H LEU 87 H LEU 87 3.525 7.033 2.125 635 HA LEU 87 HA LEU 87 6.160 6.023 1.820 636 HG LEU 87 HG LEU 87 3.511 8.099 0.255 637 HB2 LEU 87 2HB LEU 87 5.909 6.499 -0.552 638 HB3 LEU 87 1HB LEU 87 4.510 5.668 0.094 639 HD11 LEU 87 1HD1 LEU 87 5.577 8.411 -1.919 640 HD12 LEU 87 2HD1 LEU 87 5.543 9.276 -0.383 641 HD13 LEU 87 3HD1 LEU 87 4.265 9.540 -1.571 642 HD21 LEU 87 3HD2 LEU 87 3.804 6.612 -2.354 643 HD22 LEU 87 1HD2 LEU 87 2.560 7.803 -1.973 644 HD23 LEU 87 2HD2 LEU 87 2.614 6.275 -1.095 645 H SER 88 H SER 88 4.981 9.138 2.511 646 HA SER 88 HA SER 88 7.382 10.472 1.576 647 HG SER 88 HG SER 88 6.719 13.027 1.451 648 HB2 SER 88 2HB SER 88 5.100 11.581 1.600 649 HB3 SER 88 1HB SER 88 5.214 11.606 3.360 650 H SER 89 H SER 89 5.905 9.384 4.587 651 HA SER 89 HA SER 89 6.783 8.752 6.576 652 HG SER 89 HG SER 89 7.395 7.199 4.918 653 HB2 SER 89 2HB SER 89 9.452 8.947 5.163 654 HB3 SER 89 1HB SER 89 9.147 8.117 6.688 655 H ARG 90 H ARG 90 6.673 11.692 5.681 656 HA ARG 90 HA ARG 90 8.083 12.708 8.028 657 HE ARG 90 HE ARG 90 8.468 14.417 2.274 658 HB2 ARG 90 2HB ARG 90 8.962 14.629 6.754 659 HB3 ARG 90 1HB ARG 90 9.634 13.102 6.196 660 HG2 ARG 90 2HG ARG 90 8.220 13.103 4.271 661 HG3 ARG 90 1HG ARG 90 7.330 14.505 4.872 662 HD2 ARG 90 2HD ARG 90 9.277 15.896 4.649 663 HD3 ARG 90 1HD ARG 90 10.265 14.506 4.199 664 HH11 ARG 90 1HH1 ARG 90 10.062 17.224 3.634 665 HH12 ARG 90 2HH1 ARG 90 10.044 18.115 2.142 666 HH21 ARG 90 2HH2 ARG 90 9.146 17.168 0.239 667 HH22 ARG 90 1HH2 ARG 90 8.433 15.578 0.314 668 HA PRO 91 HA PRO 91 4.418 15.190 8.474 669 HB2 PRO 91 1HB PRO 91 4.813 16.298 10.422 670 HB3 PRO 91 2HB PRO 91 6.052 17.309 9.673 671 HG2 PRO 91 2HG PRO 91 7.437 16.031 11.005 672 HG3 PRO 91 1HG PRO 91 6.317 14.655 11.008 673 HD2 PRO 91 2HD PRO 91 8.294 15.494 8.915 674 HD3 PRO 91 1HD PRO 91 7.909 13.865 9.514 675 H LYS 92 H LYS 92 3.603 16.131 6.714 676 HA LYS 92 HA LYS 92 5.179 18.122 5.282 677 HB2 LYS 92 2HB LYS 92 3.333 17.952 3.573 678 HB3 LYS 92 1HB LYS 92 4.268 16.489 3.823 679 HG2 LYS 92 2HG LYS 92 2.174 15.613 3.769 680 HG3 LYS 92 1HG LYS 92 2.311 15.929 5.498 681 HD2 LYS 92 2HD LYS 92 1.146 18.084 5.157 682 HD3 LYS 92 1HD LYS 92 0.945 17.678 3.452 683 HE2 LYS 92 2HE LYS 92 -0.193 16.202 5.819 684 HE3 LYS 92 1HE LYS 92 -1.086 17.149 4.631 685 HZ1 LYS 92 3HZ LYS 92 -0.282 15.543 2.923 686 HZ2 LYS 92 1HZ LYS 92 -1.322 14.863 4.080 687 HZ3 LYS 92 2HZ LYS 92 0.340 14.591 4.176 688 H LEU 93 H LEU 93 4.668 20.242 5.192 689 HA LEU 93 HA LEU 93 2.375 21.092 6.838 690 HG LEU 93 HG LEU 93 5.016 22.404 9.059 691 HB2 LEU 93 2HB LEU 93 5.088 22.376 6.528 692 HB3 LEU 93 1HB LEU 93 3.727 23.180 7.277 693 HD11 LEU 93 1HD1 LEU 93 2.884 20.329 8.607 694 HD12 LEU 93 2HD1 LEU 93 2.665 21.908 9.361 695 HD13 LEU 93 3HD1 LEU 93 3.667 20.685 10.144 696 HD21 LEU 93 3HD2 LEU 93 5.880 20.121 9.256 697 HD22 LEU 93 1HD2 LEU 93 6.517 20.948 7.837 698 HD23 LEU 93 2HD2 LEU 93 5.239 19.747 7.658 699 H HIS 94 H HIS 94 1.287 22.983 6.263 700 HA HIS 94 HA HIS 94 0.278 24.464 4.895 701 HD1 HIS 94 1HD HIS 94 2.814 26.335 1.853 702 HD2 HIS 94 2HD HIS 94 0.113 27.362 4.851 703 HE1 HIS 94 1HE HIS 94 1.579 28.358 0.998 704 HE2 HIS 94 2HE HIS 94 0.046 29.040 2.878 705 HB2 HIS 94 2HB HIS 94 2.427 25.597 5.369 706 HB3 HIS 94 1HB HIS 94 3.084 24.929 3.879 707 H ALA 95 H ALA 95 -0.969 23.068 3.648 708 HA ALA 95 HA ALA 95 0.081 22.415 0.987 709 HB1 ALA 95 3HB ALA 95 -1.841 20.932 0.769 710 HB2 ALA 95 1HB ALA 95 -2.449 21.475 2.332 711 HB3 ALA 95 2HB ALA 95 -0.937 20.571 2.239 712 H VAL 96 H VAL 96 -1.310 22.840 -0.878 713 HA VAL 96 HA VAL 96 -3.235 25.005 -0.466 714 HB VAL 96 HB VAL 96 -1.108 26.051 -1.156 715 HG11 VAL 96 1HG1 VAL 96 -0.234 25.701 -3.421 716 HG12 VAL 96 2HG1 VAL 96 -1.394 24.391 -3.656 717 HG13 VAL 96 3HG1 VAL 96 -0.129 24.244 -2.434 718 HG21 VAL 96 3HG2 VAL 96 -3.253 26.150 -3.274 719 HG22 VAL 96 1HG2 VAL 96 -1.988 27.355 -3.029 720 HG23 VAL 96 2HG2 VAL 96 -3.211 27.097 -1.785 721 HA MET 1 HA MET 1 -29.889 26.340 -17.965 722 H1 MET 1 1H MET 1 -31.975 26.593 -15.882 723 H2 MET 1 2H MET 1 -32.034 25.517 -17.191 724 H3 MET 1 3H MET 1 -32.051 27.190 -17.471 725 HB2 MET 1 2HB MET 1 -29.974 27.869 -15.353 726 HB3 MET 1 1HB MET 1 -28.544 27.691 -16.357 727 HG2 MET 1 2HG MET 1 -29.648 28.879 -18.169 728 HG3 MET 1 1HG MET 1 -31.107 29.030 -17.192 729 HE1 MET 1 3HE MET 1 -29.852 31.353 -14.281 730 HE2 MET 1 1HE MET 1 -29.882 29.591 -14.324 731 HE3 MET 1 2HE MET 1 -31.243 30.513 -14.962 732 H GLY 2 H GLY 2 -27.771 25.646 -16.806 733 HA2 GLY 2 2HA GLY 2 -28.210 22.999 -15.904 734 HA3 GLY 2 1HA GLY 2 -26.663 23.825 -15.964 735 H SER 3 H SER 3 -27.499 22.029 -13.950 736 HA SER 3 HA SER 3 -28.320 23.490 -11.630 737 HG SER 3 HG SER 3 -26.229 20.820 -12.398 738 HB2 SER 3 2HB SER 3 -27.718 21.300 -10.481 739 HB3 SER 3 1HB SER 3 -28.943 21.186 -11.747 740 H SER 4 H SER 4 -27.063 24.619 -10.277 741 HA SER 4 HA SER 4 -24.168 24.459 -10.595 742 HG SER 4 HG SER 4 -25.286 26.211 -11.667 743 HB2 SER 4 2HB SER 4 -25.834 26.423 -9.006 744 HB3 SER 4 1HB SER 4 -24.109 26.557 -9.356 745 H HIS 5 H HIS 5 -23.019 23.216 -9.282 746 HA HIS 5 HA HIS 5 -24.185 22.518 -6.665 747 HD1 HIS 5 1HD HIS 5 -24.783 19.388 -6.115 748 HD2 HIS 5 2HD HIS 5 -24.722 20.522 -10.122 749 HE1 HIS 5 1HE HIS 5 -26.742 18.227 -7.184 750 HE2 HIS 5 2HE HIS 5 -26.755 19.015 -9.577 751 HB2 HIS 5 2HB HIS 5 -22.415 20.942 -8.523 752 HB3 HIS 5 1HB HIS 5 -22.602 20.514 -6.827 753 H HIS 6 H HIS 6 -23.043 22.814 -4.851 754 HA HIS 6 HA HIS 6 -20.454 24.152 -5.042 755 HD1 HIS 6 1HD HIS 6 -21.096 26.899 -2.667 756 HD2 HIS 6 2HD HIS 6 -24.216 24.753 -4.388 757 HE1 HIS 6 1HE HIS 6 -22.823 28.610 -3.325 758 HE2 HIS 6 2HE HIS 6 -24.617 27.296 -4.519 759 HB2 HIS 6 2HB HIS 6 -22.154 23.482 -2.616 760 HB3 HIS 6 1HB HIS 6 -20.688 24.457 -2.596 761 H HIS 7 H HIS 7 -18.589 23.008 -4.952 762 HA HIS 7 HA HIS 7 -18.632 20.348 -3.759 763 HD1 HIS 7 1HD HIS 7 -17.033 19.336 -8.190 764 HD2 HIS 7 2HD HIS 7 -18.724 22.943 -6.985 765 HE1 HIS 7 1HE HIS 7 -16.554 20.967 -10.044 766 HE2 HIS 7 2HE HIS 7 -17.680 23.111 -9.350 767 HB2 HIS 7 2HB HIS 7 -17.843 19.254 -5.834 768 HB3 HIS 7 1HB HIS 7 -19.467 19.899 -5.988 769 H HIS 8 H HIS 8 -17.069 21.088 -2.318 770 HA HIS 8 HA HIS 8 -14.424 20.546 -3.098 771 HD1 HIS 8 1HD HIS 8 -12.474 21.790 -4.853 772 HD2 HIS 8 2HD HIS 8 -12.339 23.764 -1.190 773 HE1 HIS 8 1HE HIS 8 -10.033 22.117 -4.346 774 HE2 HIS 8 2HE HIS 8 -9.964 23.240 -2.095 775 HB2 HIS 8 2HB HIS 8 -14.754 22.898 -4.060 776 HB3 HIS 8 1HB HIS 8 -14.807 23.459 -2.393 777 H HIS 9 H HIS 9 -13.195 20.070 -1.333 778 HA HIS 9 HA HIS 9 -14.125 21.039 1.297 779 HD1 HIS 9 1HD HIS 9 -15.321 19.521 3.422 780 HD2 HIS 9 2HD HIS 9 -15.835 17.439 -0.139 781 HE1 HIS 9 1HE HIS 9 -17.685 18.658 3.477 782 HE2 HIS 9 2HE HIS 9 -17.881 17.203 1.426 783 HB2 HIS 9 2HB HIS 9 -13.301 18.266 0.489 784 HB3 HIS 9 1HB HIS 9 -13.088 18.806 2.149 785 H HIS 10 H HIS 10 -12.292 20.808 2.980 786 HA HIS 10 HA HIS 10 -9.603 20.846 2.065 787 HD1 HIS 10 1HD HIS 10 -10.247 24.333 4.601 788 HD2 HIS 10 2HD HIS 10 -12.708 24.088 1.251 789 HE1 HIS 10 1HE HIS 10 -12.185 25.865 5.066 790 HE2 HIS 10 2HE HIS 10 -13.757 25.536 3.122 791 HB2 HIS 10 2HB HIS 10 -9.131 23.256 2.479 792 HB3 HIS 10 1HB HIS 10 -10.165 22.980 1.083 793 H SER 11 H SER 11 -8.115 21.801 3.785 794 HA SER 11 HA SER 11 -7.405 22.172 5.896 795 HG SER 11 HG SER 11 -8.361 24.299 6.074 796 HB2 SER 11 2HB SER 11 -10.345 22.313 6.564 797 HB3 SER 11 1HB SER 11 -9.035 22.744 7.666 798 H SER 12 H SER 12 -8.071 19.441 4.828 799 HA SER 12 HA SER 12 -8.581 17.783 7.067 800 HG SER 12 HG SER 12 -9.179 16.126 4.124 801 HB2 SER 12 2HB SER 12 -6.971 17.146 4.581 802 HB3 SER 12 1HB SER 12 -7.707 15.983 5.679 803 H GLY 13 H GLY 13 -7.338 18.011 8.869 804 HA2 GLY 13 2HA GLY 13 -4.499 18.666 8.512 805 HA3 GLY 13 1HA GLY 13 -5.432 18.892 9.981 806 H ARG 14 H ARG 14 -3.473 16.742 8.138 807 HA ARG 14 HA ARG 14 -3.463 14.893 10.435 808 HE ARG 14 HE ARG 14 -7.041 12.841 8.374 809 HB2 ARG 14 2HB ARG 14 -2.897 14.352 7.519 810 HB3 ARG 14 1HB ARG 14 -2.356 13.268 8.790 811 HG2 ARG 14 2HG ARG 14 -4.324 12.292 8.105 812 HG3 ARG 14 1HG ARG 14 -4.848 13.245 9.494 813 HD2 ARG 14 2HD ARG 14 -5.624 15.010 7.998 814 HD3 ARG 14 1HD ARG 14 -5.066 14.085 6.603 815 HH11 ARG 14 1HH1 ARG 14 -6.290 14.315 5.286 816 HH12 ARG 14 2HH1 ARG 14 -7.815 13.890 4.564 817 HH21 ARG 14 2HH2 ARG 14 -9.363 12.719 5.764 818 HH22 ARG 14 1HH2 ARG 14 -9.025 12.259 7.414 819 H GLU 15 H GLU 15 -1.877 15.675 11.695 820 HA GLU 15 HA GLU 15 0.712 16.300 10.435 821 HB2 GLU 15 2HB GLU 15 -0.414 17.220 13.084 822 HB3 GLU 15 1HB GLU 15 1.208 17.573 12.509 823 HG2 GLU 15 2HG GLU 15 0.249 18.786 10.605 824 HG3 GLU 15 1HG GLU 15 -1.366 18.477 11.247 825 H ASN 16 H ASN 16 2.318 14.934 10.782 826 HA ASN 16 HA ASN 16 3.682 13.374 11.699 827 HB2 ASN 16 2HB ASN 16 2.359 14.167 14.304 828 HB3 ASN 16 1HB ASN 16 3.834 13.222 14.151 829 HD21 ASN 16 2HD2 ASN 16 3.884 17.253 13.832 830 HD22 ASN 16 1HD2 ASN 16 2.415 16.355 14.008 831 H LEU 17 H LEU 17 3.396 11.522 13.691 832 HA LEU 17 HA LEU 17 2.456 9.555 14.306 833 HG LEU 17 HG LEU 17 -0.165 8.172 13.705 834 HB2 LEU 17 2HB LEU 17 0.433 10.951 14.728 835 HB3 LEU 17 1HB LEU 17 -0.110 10.588 13.101 836 HD11 LEU 17 1HD1 LEU 17 -0.074 7.558 16.071 837 HD12 LEU 17 2HD1 LEU 17 0.388 9.212 16.479 838 HD13 LEU 17 3HD1 LEU 17 1.465 8.209 15.505 839 HD21 LEU 17 3HD2 LEU 17 -2.189 9.536 13.788 840 HD22 LEU 17 1HD2 LEU 17 -1.825 9.986 15.452 841 HD23 LEU 17 2HD2 LEU 17 -2.197 8.309 15.053 842 H TYR 18 H TYR 18 3.135 7.820 13.279 843 HA TYR 18 HA TYR 18 3.076 7.666 10.427 844 HD1 TYR 18 2HD TYR 18 5.430 7.637 9.649 845 HD2 TYR 18 1HD TYR 18 5.694 6.651 13.777 846 HE1 TYR 18 2HE TYR 18 7.477 8.983 9.834 847 HE2 TYR 18 1HE TYR 18 7.740 8.000 13.974 848 HH TYR 18 HH TYR 18 9.557 8.823 12.481 849 HB2 TYR 18 2HB TYR 18 4.021 5.687 12.505 850 HB3 TYR 18 1HB TYR 18 4.278 5.536 10.773 851 H PHE 19 H PHE 19 1.462 5.948 13.067 852 HA PHE 19 HA PHE 19 -0.578 5.090 11.172 853 HD1 PHE 19 1HD PHE 19 -1.116 2.577 9.986 854 HD2 PHE 19 2HD PHE 19 2.877 3.050 11.380 855 HE1 PHE 19 1HE PHE 19 -0.272 1.738 7.835 856 HE2 PHE 19 2HE PHE 19 3.730 2.227 9.223 857 HZ PHE 19 HZ PHE 19 2.154 1.569 7.448 858 HB2 PHE 19 2HB PHE 19 1.057 3.228 12.883 859 HB3 PHE 19 1HB PHE 19 -0.581 2.804 12.394 860 H GLN 20 H GLN 20 -2.549 4.354 12.252 861 HA GLN 20 HA GLN 20 -3.221 6.162 14.356 862 HB2 GLN 20 2HB GLN 20 -4.795 3.947 13.031 863 HB3 GLN 20 1HB GLN 20 -5.469 5.060 14.213 864 HG2 GLN 20 2HG GLN 20 -4.202 5.973 11.650 865 HG3 GLN 20 1HG GLN 20 -5.914 5.584 11.793 866 HE21 GLN 20 2HE2 GLN 20 -6.366 8.965 12.431 867 HE22 GLN 20 1HE2 GLN 20 -6.557 7.653 11.325 868 H GLY 21 H GLY 21 -1.514 5.186 15.823 869 HA2 GLY 21 2HA GLY 21 -1.250 4.288 17.938 870 HA3 GLY 21 1HA GLY 21 -2.901 3.693 17.851 871 H MET 22 H MET 22 0.238 2.738 18.091 872 HA MET 22 HA MET 22 0.275 0.500 16.344 873 HB2 MET 22 2HB MET 22 1.920 1.199 18.765 874 HB3 MET 22 1HB MET 22 2.175 -0.276 17.839 875 HG2 MET 22 2HG MET 22 2.393 2.545 16.818 876 HG3 MET 22 1HG MET 22 3.719 1.423 17.119 877 HE1 MET 22 3HE MET 22 2.987 3.065 14.349 878 HE2 MET 22 1HE MET 22 3.426 1.848 13.157 879 HE3 MET 22 2HE MET 22 4.465 2.121 14.552 880 H THR 23 H THR 23 -1.186 -0.968 16.465 881 HA THR 23 HA THR 23 -1.585 -2.820 18.459 882 HB THR 23 HB THR 23 -2.409 -0.901 19.818 883 HG1 THR 23 1HG THR 23 -4.275 -1.935 20.519 884 HG21 THR 23 3HG2 THR 23 -4.539 0.181 19.256 885 HG22 THR 23 1HG2 THR 23 -4.583 -0.697 17.728 886 HG23 THR 23 2HG2 THR 23 -3.315 0.493 18.025 887 H ASP 24 H ASP 24 -4.488 -3.089 18.092 888 HA ASP 24 HA ASP 24 -4.598 -4.398 15.614 889 HB2 ASP 24 2HB ASP 24 -7.030 -4.499 15.960 890 HB3 ASP 24 1HB ASP 24 -6.166 -4.884 17.442 891 H THR 25 H THR 25 -5.155 -1.074 16.465 892 HA THR 25 HA THR 25 -6.692 -0.423 14.143 893 HB THR 25 HB THR 25 -5.284 1.500 15.997 894 HG1 THR 25 1HG THR 25 -7.174 -0.318 16.570 895 HG21 THR 25 3HG2 THR 25 -7.134 2.992 15.383 896 HG22 THR 25 1HG2 THR 25 -7.788 1.748 14.317 897 HG23 THR 25 2HG2 THR 25 -6.230 2.487 13.956 898 H ALA 26 H ALA 26 -3.275 -0.154 15.043 899 HA ALA 26 HA ALA 26 -2.398 1.294 12.783 900 HB1 ALA 26 3HB ALA 26 -0.892 -0.808 14.340 901 HB2 ALA 26 1HB ALA 26 -0.977 0.905 14.750 902 HB3 ALA 26 2HB ALA 26 -0.189 0.392 13.259 903 H ALA 27 H ALA 27 -2.920 -2.143 13.358 904 HA ALA 27 HA ALA 27 -2.021 -3.023 10.820 905 HB1 ALA 27 3HB ALA 27 -2.253 -4.520 12.756 906 HB2 ALA 27 1HB ALA 27 -3.140 -5.112 11.351 907 HB3 ALA 27 2HB ALA 27 -4.006 -4.334 12.675 908 H GLU 28 H GLU 28 -5.136 -1.976 12.080 909 HA GLU 28 HA GLU 28 -6.744 -2.654 9.886 910 HB2 GLU 28 2HB GLU 28 -7.710 -2.035 12.027 911 HB3 GLU 28 1HB GLU 28 -7.033 -0.418 11.900 912 HG2 GLU 28 2HG GLU 28 -9.377 -0.356 11.397 913 HG3 GLU 28 1HG GLU 28 -8.454 -0.000 9.940 914 H ASP 29 H ASP 29 -4.881 0.294 10.569 915 HA ASP 29 HA ASP 29 -5.869 1.870 8.475 916 HB2 ASP 29 2HB ASP 29 -4.453 2.670 10.382 917 HB3 ASP 29 1HB ASP 29 -3.059 1.953 9.580 918 H VAL 30 H VAL 30 -2.892 -0.093 8.556 919 HA VAL 30 HA VAL 30 -2.287 0.321 5.821 920 HB VAL 30 HB VAL 30 -0.604 -0.356 7.493 921 HG11 VAL 30 1HG1 VAL 30 -1.882 -1.978 8.754 922 HG12 VAL 30 2HG1 VAL 30 -0.384 -2.692 8.157 923 HG13 VAL 30 3HG1 VAL 30 -1.913 -3.057 7.360 924 HG21 VAL 30 3HG2 VAL 30 -0.852 -2.239 5.151 925 HG22 VAL 30 1HG2 VAL 30 0.627 -1.920 6.058 926 HG23 VAL 30 2HG2 VAL 30 -0.128 -0.630 5.120 927 H ARG 31 H ARG 31 -4.102 -2.139 7.540 928 HA ARG 31 HA ARG 31 -4.553 -3.924 5.424 929 HE ARG 31 HE ARG 31 -9.220 -5.770 5.756 930 HB2 ARG 31 2HB ARG 31 -5.092 -4.554 7.682 931 HB3 ARG 31 1HB ARG 31 -6.226 -3.225 7.844 932 HG2 ARG 31 2HG ARG 31 -6.759 -5.234 5.729 933 HG3 ARG 31 1HG ARG 31 -7.004 -5.714 7.408 934 HD2 ARG 31 2HD ARG 31 -8.466 -3.748 7.721 935 HD3 ARG 31 1HD ARG 31 -8.265 -3.356 6.015 936 HH11 ARG 31 1HH1 ARG 31 -10.195 -3.306 8.050 937 HH12 ARG 31 2HH1 ARG 31 -11.825 -3.908 8.185 938 HH21 ARG 31 2HH2 ARG 31 -12.490 -5.747 6.961 939 HH22 ARG 31 1HH2 ARG 31 -11.363 -6.548 5.906 940 H LYS 32 H LYS 32 -6.256 -1.002 6.411 941 HA LYS 32 HA LYS 32 -8.463 -1.154 4.718 942 HB2 LYS 32 2HB LYS 32 -8.022 0.489 6.600 943 HB3 LYS 32 1HB LYS 32 -7.011 1.384 5.478 944 HG2 LYS 32 2HG LYS 32 -9.151 2.422 5.570 945 HG3 LYS 32 1HG LYS 32 -8.984 1.644 3.995 946 HD2 LYS 32 2HD LYS 32 -11.209 1.267 4.959 947 HD3 LYS 32 1HD LYS 32 -10.315 -0.242 4.764 948 HE2 LYS 32 2HE LYS 32 -9.731 -0.222 7.130 949 HE3 LYS 32 1HE LYS 32 -10.578 1.311 7.341 950 HZ1 LYS 32 3HZ LYS 32 -11.894 -1.186 6.408 951 HZ2 LYS 32 1HZ LYS 32 -12.647 0.263 6.867 952 HZ3 LYS 32 2HZ LYS 32 -11.863 -0.690 8.030 953 H ILE 33 H ILE 33 -5.281 0.300 4.193 954 HA ILE 33 HA ILE 33 -5.736 1.253 1.572 955 HB ILE 33 HB ILE 33 -3.072 0.348 2.685 956 HG12 ILE 33 2HG1 ILE 33 -4.348 3.078 2.977 957 HG13 ILE 33 1HG1 ILE 33 -4.298 1.870 4.257 958 HG21 ILE 33 1HG2 ILE 33 -2.194 2.118 1.209 959 HG22 ILE 33 2HG2 ILE 33 -3.828 2.412 0.617 960 HG23 ILE 33 3HG2 ILE 33 -3.046 0.860 0.316 961 HD11 ILE 33 3HD1 ILE 33 -2.553 3.520 4.558 962 HD12 ILE 33 1HD1 ILE 33 -1.920 3.166 2.949 963 HD13 ILE 33 2HD1 ILE 33 -1.852 1.937 4.212 964 H ALA 34 H ALA 34 -4.148 -1.698 2.743 965 HA ALA 34 HA ALA 34 -3.453 -2.679 0.200 966 HB1 ALA 34 3HB ALA 34 -3.798 -4.227 2.759 967 HB2 ALA 34 1HB ALA 34 -2.343 -3.360 2.268 968 HB3 ALA 34 2HB ALA 34 -2.904 -4.745 1.333 969 H THR 35 H THR 35 -6.313 -3.282 2.214 970 HA THR 35 HA THR 35 -7.310 -5.425 0.653 971 HB THR 35 HB THR 35 -8.903 -3.496 2.353 972 HG1 THR 35 1HG THR 35 -7.327 -4.392 3.643 973 HG21 THR 35 3HG2 THR 35 -10.439 -5.401 2.610 974 HG22 THR 35 1HG2 THR 35 -9.449 -6.338 1.490 975 HG23 THR 35 2HG2 THR 35 -10.293 -4.896 0.927 976 H ALA 36 H ALA 36 -7.566 -1.936 0.386 977 HA ALA 36 HA ALA 36 -9.717 -1.937 -1.490 978 HB1 ALA 36 3HB ALA 36 -9.191 -0.004 -0.064 979 HB2 ALA 36 1HB ALA 36 -9.227 0.418 -1.776 980 HB3 ALA 36 2HB ALA 36 -7.682 0.222 -0.949 981 H LEU 37 H LEU 37 -6.180 -1.750 -1.800 982 HA LEU 37 HA LEU 37 -6.265 -1.413 -4.626 983 HG LEU 37 HG LEU 37 -4.302 -2.716 -1.762 984 HB2 LEU 37 2HB LEU 37 -3.861 -1.766 -4.556 985 HB3 LEU 37 1HB LEU 37 -4.379 -0.606 -3.357 986 HD11 LEU 37 1HD1 LEU 37 -2.475 -4.229 -2.328 987 HD12 LEU 37 2HD1 LEU 37 -2.296 -3.442 -3.897 988 HD13 LEU 37 3HD1 LEU 37 -3.770 -4.333 -3.519 989 HD21 LEU 37 3HD2 LEU 37 -3.004 -0.698 -1.447 990 HD22 LEU 37 1HD2 LEU 37 -1.874 -1.198 -2.707 991 HD23 LEU 37 2HD2 LEU 37 -1.983 -2.115 -1.203 992 H LEU 38 H LEU 38 -6.101 -4.173 -2.484 993 HA LEU 38 HA LEU 38 -5.485 -6.151 -4.389 994 HG LEU 38 HG LEU 38 -7.266 -8.446 -3.352 995 HB2 LEU 38 2HB LEU 38 -5.506 -6.452 -1.917 996 HB3 LEU 38 1HB LEU 38 -7.255 -6.397 -1.951 997 HD11 LEU 38 1HD1 LEU 38 -4.300 -8.449 -2.819 998 HD12 LEU 38 2HD1 LEU 38 -5.071 -8.185 -4.382 999 HD13 LEU 38 3HD1 LEU 38 -5.217 -9.748 -3.580 1000 HD21 LEU 38 3HD2 LEU 38 -7.510 -8.590 -0.929 1001 HD22 LEU 38 1HD2 LEU 38 -5.760 -8.684 -0.753 1002 HD23 LEU 38 2HD2 LEU 38 -6.634 -9.983 -1.562 1003 H LYS 39 H LYS 39 -8.329 -4.351 -3.722 1004 HA LYS 39 HA LYS 39 -10.079 -6.169 -5.147 1005 HB2 LYS 39 2HB LYS 39 -10.519 -4.665 -2.993 1006 HB3 LYS 39 1HB LYS 39 -10.985 -3.496 -4.217 1007 HG2 LYS 39 2HG LYS 39 -12.156 -6.257 -3.955 1008 HG3 LYS 39 1HG LYS 39 -12.880 -4.791 -3.304 1009 HD2 LYS 39 2HD LYS 39 -13.115 -3.874 -5.532 1010 HD3 LYS 39 1HD LYS 39 -12.280 -5.266 -6.223 1011 HE2 LYS 39 2HE LYS 39 -14.910 -5.339 -4.750 1012 HE3 LYS 39 1HE LYS 39 -14.711 -5.424 -6.498 1013 HZ1 LYS 39 3HZ LYS 39 -13.850 -7.421 -4.480 1014 HZ2 LYS 39 1HZ LYS 39 -13.329 -7.458 -6.097 1015 HZ3 LYS 39 2HZ LYS 39 -14.976 -7.622 -5.732 1016 H THR 40 H THR 40 -8.703 -2.901 -5.577 1017 HA THR 40 HA THR 40 -9.918 -2.875 -8.260 1018 HB THR 40 HB THR 40 -9.850 -0.297 -6.787 1019 HG1 THR 40 1HG THR 40 -10.749 -1.645 -5.210 1020 HG21 THR 40 3HG2 THR 40 -10.662 -0.425 -9.096 1021 HG22 THR 40 1HG2 THR 40 -11.965 0.031 -7.999 1022 HG23 THR 40 2HG2 THR 40 -11.868 -1.618 -8.614 1023 H ALA 41 H ALA 41 -7.067 -3.261 -7.402 1024 HA ALA 41 HA ALA 41 -5.955 -0.974 -8.915 1025 HB1 ALA 41 3HB ALA 41 -4.510 -2.723 -6.930 1026 HB2 ALA 41 1HB ALA 41 -5.107 -1.092 -6.613 1027 HB3 ALA 41 2HB ALA 41 -3.829 -1.349 -7.802 1028 H ILE 42 H ILE 42 -7.155 -3.364 -9.999 1029 HA ILE 42 HA ILE 42 -4.818 -4.530 -11.362 1030 HB ILE 42 HB ILE 42 -7.478 -5.881 -10.835 1031 HG12 ILE 42 2HG1 ILE 42 -4.766 -6.323 -9.570 1032 HG13 ILE 42 1HG1 ILE 42 -6.176 -5.633 -8.778 1033 HG21 ILE 42 1HG2 ILE 42 -6.442 -6.638 -12.904 1034 HG22 ILE 42 2HG2 ILE 42 -6.379 -7.899 -11.674 1035 HG23 ILE 42 3HG2 ILE 42 -4.936 -6.957 -12.045 1036 HD11 ILE 42 3HD1 ILE 42 -7.347 -7.758 -9.010 1037 HD12 ILE 42 1HD1 ILE 42 -5.827 -7.948 -8.133 1038 HD13 ILE 42 2HD1 ILE 42 -5.939 -8.444 -9.821 1039 H GLU 43 H GLU 43 -4.843 -4.493 -13.601 1040 HA GLU 43 HA GLU 43 -7.055 -2.940 -14.767 1041 HB2 GLU 43 2HB GLU 43 -5.508 -2.106 -16.386 1042 HB3 GLU 43 1HB GLU 43 -4.742 -1.952 -14.811 1043 HG2 GLU 43 2HG GLU 43 -3.425 -3.953 -15.236 1044 HG3 GLU 43 1HG GLU 43 -4.219 -4.153 -16.797 1045 H ILE 44 H ILE 44 -7.857 -3.502 -16.831 1046 HA ILE 44 HA ILE 44 -7.271 -6.251 -17.666 1047 HB ILE 44 HB ILE 44 -9.477 -5.974 -18.944 1048 HG12 ILE 44 2HG1 ILE 44 -9.853 -3.787 -16.895 1049 HG13 ILE 44 1HG1 ILE 44 -9.685 -3.537 -18.629 1050 HG21 ILE 44 1HG2 ILE 44 -10.803 -6.640 -16.982 1051 HG22 ILE 44 2HG2 ILE 44 -9.470 -6.135 -15.942 1052 HG23 ILE 44 3HG2 ILE 44 -9.249 -7.472 -17.072 1053 HD11 ILE 44 3HD1 ILE 44 -11.922 -5.035 -17.279 1054 HD12 ILE 44 1HD1 ILE 44 -11.754 -4.764 -19.013 1055 HD13 ILE 44 2HD1 ILE 44 -12.009 -3.397 -17.930 1056 H VAL 45 H VAL 45 -5.853 -6.251 -19.283 1057 HA VAL 45 HA VAL 45 -6.111 -4.187 -21.357 1058 HB VAL 45 HB VAL 45 -3.803 -4.963 -22.081 1059 HG11 VAL 45 1HG1 VAL 45 -4.097 -3.743 -19.338 1060 HG12 VAL 45 2HG1 VAL 45 -4.176 -2.880 -20.873 1061 HG13 VAL 45 3HG1 VAL 45 -2.666 -3.637 -20.364 1062 HG21 VAL 45 3HG2 VAL 45 -3.826 -6.274 -19.361 1063 HG22 VAL 45 1HG2 VAL 45 -2.420 -6.094 -20.411 1064 HG23 VAL 45 2HG2 VAL 45 -3.770 -7.113 -20.911 1065 H SER 46 H SER 46 -7.386 -4.848 -22.927 1066 HA SER 46 HA SER 46 -7.229 -7.653 -23.801 1067 HG SER 46 HG SER 46 -9.398 -6.048 -22.143 1068 HB2 SER 46 2HB SER 46 -9.437 -5.654 -24.345 1069 HB3 SER 46 1HB SER 46 -9.480 -7.394 -24.638 1070 H GLU 47 H GLU 47 -6.770 -8.140 -25.913 1071 HA GLU 47 HA GLU 47 -5.428 -6.098 -27.409 1072 HB2 GLU 47 2HB GLU 47 -5.960 -9.000 -27.988 1073 HB3 GLU 47 1HB GLU 47 -5.157 -7.938 -29.135 1074 HG2 GLU 47 2HG GLU 47 -4.203 -8.687 -26.381 1075 HG3 GLU 47 1HG GLU 47 -3.502 -9.170 -27.926 1076 H GLU 48 H GLU 48 -5.874 -5.590 -29.632 1077 HA GLU 48 HA GLU 48 -8.460 -4.659 -30.029 1078 HB2 GLU 48 2HB GLU 48 -6.402 -3.787 -31.114 1079 HB3 GLU 48 1HB GLU 48 -6.378 -5.211 -32.143 1080 HG2 GLU 48 2HG GLU 48 -8.342 -4.554 -33.265 1081 HG3 GLU 48 1HG GLU 48 -8.703 -3.315 -32.062 1082 H ASP 49 H ASP 49 -6.927 -7.625 -31.139 1083 HA ASP 49 HA ASP 49 -9.390 -8.516 -32.411 1084 HB2 ASP 49 2HB ASP 49 -7.246 -9.093 -33.477 1085 HB3 ASP 49 1HB ASP 49 -6.756 -9.968 -32.029 1086 H GLY 50 H GLY 50 -7.211 -9.988 -29.989 1087 HA2 GLY 50 2HA GLY 50 -9.625 -10.899 -28.557 1088 HA3 GLY 50 1HA GLY 50 -8.241 -11.949 -28.807 1089 H GLY 51 H GLY 51 -6.251 -11.422 -27.740 1090 HA2 GLY 51 2HA GLY 51 -5.121 -11.113 -25.792 1091 HA3 GLY 51 1HA GLY 51 -5.827 -9.505 -25.837 1092 H ALA 52 H ALA 52 -6.689 -9.009 -24.111 1093 HA ALA 52 HA ALA 52 -8.140 -8.856 -22.397 1094 HB1 ALA 52 3HB ALA 52 -9.774 -10.129 -23.699 1095 HB2 ALA 52 1HB ALA 52 -9.857 -10.526 -21.980 1096 HB3 ALA 52 2HB ALA 52 -9.072 -11.636 -23.104 1097 H HIS 53 H HIS 53 -6.299 -8.744 -21.116 1098 HA HIS 53 HA HIS 53 -5.950 -11.091 -19.372 1099 HD1 HIS 53 1HD HIS 53 -2.684 -12.447 -19.181 1100 HD2 HIS 53 2HD HIS 53 -4.558 -11.325 -22.723 1101 HE1 HIS 53 1HE HIS 53 -2.479 -14.419 -20.716 1102 HE2 HIS 53 2HE HIS 53 -3.419 -13.642 -22.923 1103 HB2 HIS 53 2HB HIS 53 -3.852 -9.353 -20.629 1104 HB3 HIS 53 1HB HIS 53 -3.542 -10.133 -19.079 1105 H ASN 54 H ASN 54 -6.558 -10.648 -17.381 1106 HA ASN 54 HA ASN 54 -6.684 -7.869 -16.462 1107 HB2 ASN 54 2HB ASN 54 -8.683 -9.353 -16.223 1108 HB3 ASN 54 1HB ASN 54 -7.740 -10.406 -15.176 1109 HD21 ASN 54 2HD2 ASN 54 -9.167 -8.647 -12.545 1110 HD22 ASN 54 1HD2 ASN 54 -9.077 -10.127 -13.432 1111 H GLN 55 H GLN 55 -4.865 -7.183 -15.527 1112 HA GLN 55 HA GLN 55 -3.417 -8.997 -13.745 1113 HB2 GLN 55 2HB GLN 55 -1.266 -8.379 -14.838 1114 HB3 GLN 55 1HB GLN 55 -2.322 -9.359 -15.845 1115 HG2 GLN 55 2HG GLN 55 -3.034 -7.335 -17.039 1116 HG3 GLN 55 1HG GLN 55 -1.932 -6.380 -16.049 1117 HE21 GLN 55 2HE2 GLN 55 0.076 -9.123 -18.269 1118 HE22 GLN 55 1HE2 GLN 55 -1.153 -9.586 -17.144 1119 H CYS 56 H CYS 56 -2.273 -8.011 -12.145 1120 HA CYS 56 HA CYS 56 -2.742 -5.176 -11.751 1121 HG CYS 56 HG CYS 56 -2.553 -4.189 -8.986 1122 HB2 CYS 56 2HB CYS 56 -2.899 -6.762 -9.850 1123 HB3 CYS 56 1HB CYS 56 -1.193 -7.146 -10.045 1124 H LYS 57 H LYS 57 -1.131 -3.603 -11.658 1125 HA LYS 57 HA LYS 57 0.837 -3.673 -13.603 1126 HB2 LYS 57 2HB LYS 57 0.698 -1.982 -11.109 1127 HB3 LYS 57 1HB LYS 57 1.816 -1.691 -12.432 1128 HG2 LYS 57 2HG LYS 57 -1.183 -1.652 -12.661 1129 HG3 LYS 57 1HG LYS 57 -0.151 -0.230 -12.500 1130 HD2 LYS 57 2HD LYS 57 1.035 -0.987 -14.581 1131 HD3 LYS 57 1HD LYS 57 -0.227 -2.207 -14.767 1132 HE2 LYS 57 2HE LYS 57 -1.912 -0.396 -14.757 1133 HE3 LYS 57 1HE LYS 57 -0.600 0.780 -14.701 1134 HZ1 LYS 57 3HZ LYS 57 -1.122 -1.183 -16.869 1135 HZ2 LYS 57 1HZ LYS 57 0.219 -0.139 -16.813 1136 HZ3 LYS 57 2HZ LYS 57 -1.350 0.494 -16.957 1137 H LEU 58 H LEU 58 1.063 -4.465 -10.204 1138 HA LEU 58 HA LEU 58 3.939 -4.717 -10.282 1139 HG LEU 58 HG LEU 58 2.860 -2.749 -8.984 1140 HB2 LEU 58 2HB LEU 58 1.875 -5.114 -8.131 1141 HB3 LEU 58 1HB LEU 58 3.586 -5.400 -7.874 1142 HD11 LEU 58 1HD1 LEU 58 2.287 -3.508 -6.123 1143 HD12 LEU 58 2HD1 LEU 58 1.102 -3.025 -7.336 1144 HD13 LEU 58 3HD1 LEU 58 2.301 -1.865 -6.767 1145 HD21 LEU 58 3HD2 LEU 58 4.744 -3.671 -6.819 1146 HD22 LEU 58 1HD2 LEU 58 4.647 -2.039 -7.481 1147 HD23 LEU 58 2HD2 LEU 58 5.171 -3.377 -8.504 1148 H CYS 59 H CYS 59 1.655 -6.633 -11.458 1149 HA CYS 59 HA CYS 59 1.603 -8.779 -12.160 1150 HG CYS 59 HG CYS 59 2.567 -11.216 -12.580 1151 HB2 CYS 59 2HB CYS 59 4.045 -8.307 -12.610 1152 HB3 CYS 59 1HB CYS 59 4.404 -9.056 -11.061 1153 H GLY 60 H GLY 60 1.051 -7.916 -9.308 1154 HA2 GLY 60 2HA GLY 60 1.543 -10.063 -7.570 1155 HA3 GLY 60 1HA GLY 60 0.200 -8.934 -7.432 1156 H ALA 61 H ALA 61 -0.984 -9.516 -9.948 1157 HA ALA 61 HA ALA 61 -1.523 -12.353 -10.036 1158 HB1 ALA 61 3HB ALA 61 -3.740 -10.427 -9.332 1159 HB2 ALA 61 1HB ALA 61 -3.034 -11.628 -8.252 1160 HB3 ALA 61 2HB ALA 61 -3.934 -12.144 -9.678 1161 H SER 62 H SER 62 -1.907 -12.946 -12.079 1162 HA SER 62 HA SER 62 -3.077 -11.007 -13.946 1163 HG SER 62 HG SER 62 0.188 -11.222 -13.397 1164 HB2 SER 62 2HB SER 62 -0.709 -12.776 -14.618 1165 HB3 SER 62 1HB SER 62 -1.457 -11.560 -15.654 1166 H VAL 63 H VAL 63 -4.756 -11.882 -14.996 1167 HA VAL 63 HA VAL 63 -4.817 -14.721 -15.625 1168 HB VAL 63 HB VAL 63 -5.669 -14.604 -13.306 1169 HG11 VAL 63 1HG1 VAL 63 -7.784 -13.507 -12.797 1170 HG12 VAL 63 2HG1 VAL 63 -7.852 -12.866 -14.441 1171 HG13 VAL 63 3HG1 VAL 63 -6.571 -12.346 -13.345 1172 HG21 VAL 63 3HG2 VAL 63 -7.798 -15.797 -13.671 1173 HG22 VAL 63 1HG2 VAL 63 -6.501 -16.367 -14.720 1174 HG23 VAL 63 2HG2 VAL 63 -7.752 -15.306 -15.365 1175 HA PRO 64 HA PRO 64 -6.889 -13.212 -19.284 1176 HB2 PRO 64 1HB PRO 64 -7.074 -15.233 -20.276 1177 HB3 PRO 64 2HB PRO 64 -8.687 -15.345 -19.565 1178 HG2 PRO 64 2HG PRO 64 -7.964 -16.632 -17.801 1179 HG3 PRO 64 1HG PRO 64 -6.724 -17.103 -18.978 1180 HD2 PRO 64 2HD PRO 64 -6.052 -16.098 -16.593 1181 HD3 PRO 64 1HD PRO 64 -5.132 -15.682 -18.053 1182 H TRP 65 H TRP 65 -8.048 -11.477 -18.750 1183 HA TRP 65 HA TRP 65 -9.801 -10.125 -18.335 1184 HD1 TRP 65 HD TRP 65 -10.627 -9.234 -20.774 1185 HE1 TRP 65 1HE TRP 65 -12.637 -7.654 -21.073 1186 HE3 TRP 65 3HE TRP 65 -14.099 -11.792 -18.016 1187 HZ2 TRP 65 2HZ TRP 65 -15.333 -7.508 -20.247 1188 HZ3 TRP 65 3HZ TRP 65 -16.366 -10.864 -17.822 1189 HH2 TRP 65 HH TRP 65 -16.971 -8.765 -18.914 1190 HB2 TRP 65 2HB TRP 65 -10.708 -11.993 -20.028 1191 HB3 TRP 65 1HB TRP 65 -11.801 -12.293 -18.680 1192 H LEU 66 H LEU 66 -12.304 -10.508 -17.190 1193 HA LEU 66 HA LEU 66 -11.575 -10.563 -14.427 1194 HG LEU 66 HG LEU 66 -12.818 -8.397 -16.289 1195 HB2 LEU 66 2HB LEU 66 -14.294 -10.294 -15.714 1196 HB3 LEU 66 1HB LEU 66 -13.945 -10.032 -14.016 1197 HD11 LEU 66 1HD1 LEU 66 -14.296 -6.633 -15.476 1198 HD12 LEU 66 2HD1 LEU 66 -14.982 -7.749 -14.295 1199 HD13 LEU 66 3HD1 LEU 66 -15.209 -8.039 -16.020 1200 HD21 LEU 66 3HD2 LEU 66 -12.036 -6.894 -14.536 1201 HD22 LEU 66 1HD2 LEU 66 -11.328 -8.498 -14.352 1202 HD23 LEU 66 2HD2 LEU 66 -12.651 -7.992 -13.304 1203 H GLN 67 H GLN 67 -10.881 -12.683 -14.166 1204 HA GLN 67 HA GLN 67 -12.985 -14.570 -13.522 1205 HB2 GLN 67 2HB GLN 67 -12.641 -15.079 -15.853 1206 HB3 GLN 67 1HB GLN 67 -10.899 -15.083 -15.641 1207 HG2 GLN 67 2HG GLN 67 -11.136 -17.072 -14.176 1208 HG3 GLN 67 1HG GLN 67 -12.859 -17.090 -14.551 1209 HE21 GLN 67 2HE2 GLN 67 -10.605 -17.593 -17.894 1210 HE22 GLN 67 1HE2 GLN 67 -10.444 -16.188 -16.901 1211 H THR 68 H THR 68 -12.390 -14.915 -11.434 1212 HA THR 68 HA THR 68 -11.245 -15.865 -9.711 1213 HB THR 68 HB THR 68 -9.132 -16.519 -11.779 1214 HG1 THR 68 1HG THR 68 -10.869 -18.379 -10.549 1215 HG21 THR 68 3HG2 THR 68 -8.294 -18.140 -10.130 1216 HG22 THR 68 1HG2 THR 68 -9.453 -17.529 -8.947 1217 HG23 THR 68 2HG2 THR 68 -8.161 -16.484 -9.539 1218 H GLY 69 H GLY 69 -9.910 -15.087 -8.119 1219 HA2 GLY 69 2HA GLY 69 -7.765 -13.242 -8.776 1220 HA3 GLY 69 1HA GLY 69 -9.135 -12.518 -7.949 1221 H ASP 70 H ASP 70 -6.349 -12.877 -7.102 1222 HA ASP 70 HA ASP 70 -5.216 -13.199 -5.171 1223 HB2 ASP 70 2HB ASP 70 -7.260 -12.530 -3.969 1224 HB3 ASP 70 1HB ASP 70 -7.827 -14.197 -4.015 1225 H GLU 71 H GLU 71 -7.487 -15.910 -5.646 1226 HA GLU 71 HA GLU 71 -5.504 -17.829 -4.800 1227 HB2 GLU 71 2HB GLU 71 -8.186 -18.284 -6.118 1228 HB3 GLU 71 1HB GLU 71 -7.198 -19.511 -5.340 1229 HG2 GLU 71 2HG GLU 71 -7.462 -18.345 -3.199 1230 HG3 GLU 71 1HG GLU 71 -8.493 -17.155 -3.991 1231 H ILE 72 H ILE 72 -3.853 -17.263 -6.366 1232 HA ILE 72 HA ILE 72 -3.890 -18.969 -8.656 1233 HB ILE 72 HB ILE 72 -5.221 -17.004 -9.480 1234 HG12 ILE 72 2HG1 ILE 72 -2.554 -17.423 -10.857 1235 HG13 ILE 72 1HG1 ILE 72 -3.961 -18.468 -11.016 1236 HG21 ILE 72 1HG2 ILE 72 -4.001 -14.915 -10.005 1237 HG22 ILE 72 2HG2 ILE 72 -2.617 -15.525 -9.098 1238 HG23 ILE 72 3HG2 ILE 72 -4.143 -15.210 -8.271 1239 HD11 ILE 72 3HD1 ILE 72 -3.786 -15.588 -11.880 1240 HD12 ILE 72 1HD1 ILE 72 -5.205 -16.624 -12.025 1241 HD13 ILE 72 2HD1 ILE 72 -3.742 -17.005 -12.930 1242 H LYS 73 H LYS 73 -1.792 -18.948 -9.781 1243 HA LYS 73 HA LYS 73 0.451 -18.681 -8.156 1244 HB2 LYS 73 2HB LYS 73 0.096 -18.812 -11.138 1245 HB3 LYS 73 1HB LYS 73 1.692 -18.597 -10.433 1246 HG2 LYS 73 2HG LYS 73 -0.130 -20.869 -9.687 1247 HG3 LYS 73 1HG LYS 73 1.045 -20.960 -11.003 1248 HD2 LYS 73 2HD LYS 73 2.850 -20.468 -9.435 1249 HD3 LYS 73 1HD LYS 73 1.682 -20.337 -8.118 1250 HE2 LYS 73 2HE LYS 73 1.132 -22.654 -8.283 1251 HE3 LYS 73 1HE LYS 73 2.060 -22.824 -9.773 1252 HZ1 LYS 73 3HZ LYS 73 3.189 -23.682 -7.747 1253 HZ2 LYS 73 1HZ LYS 73 3.271 -22.098 -7.158 1254 HZ3 LYS 73 2HZ LYS 73 4.081 -22.510 -8.587 1255 H HIS 74 H HIS 74 1.730 -17.038 -7.604 1256 HA HIS 74 HA HIS 74 1.302 -14.430 -8.888 1257 HD1 HIS 74 1HD HIS 74 2.902 -14.139 -4.841 1258 HD2 HIS 74 2HD HIS 74 -0.382 -16.646 -5.283 1259 HE1 HIS 74 1HE HIS 74 2.923 -15.640 -2.827 1260 HE2 HIS 74 2HE HIS 74 1.043 -17.275 -3.216 1261 HB2 HIS 74 2HB HIS 74 1.178 -13.366 -6.643 1262 HB3 HIS 74 1HB HIS 74 -0.176 -14.441 -6.967 1263 H ALA 75 H ALA 75 3.008 -12.913 -8.548 1264 HA ALA 75 HA ALA 75 5.602 -14.035 -8.469 1265 HB1 ALA 75 3HB ALA 75 5.091 -11.991 -9.706 1266 HB2 ALA 75 1HB ALA 75 6.403 -11.738 -8.554 1267 HB3 ALA 75 2HB ALA 75 4.783 -11.148 -8.187 1268 H ASP 76 H ASP 76 6.878 -14.492 -6.804 1269 HA ASP 76 HA ASP 76 5.895 -14.059 -4.113 1270 HB2 ASP 76 2HB ASP 76 6.916 -16.211 -4.890 1271 HB3 ASP 76 1HB ASP 76 8.463 -15.382 -5.022 1272 H ASP 77 H ASP 77 8.255 -12.703 -6.233 1273 HA ASP 77 HA ASP 77 9.815 -11.353 -4.243 1274 HB2 ASP 77 2HB ASP 77 10.846 -11.849 -6.362 1275 HB3 ASP 77 1HB ASP 77 9.572 -11.017 -7.241 1276 H CYS 78 H CYS 78 6.777 -10.828 -5.617 1277 HA CYS 78 HA CYS 78 6.809 -7.971 -5.673 1278 HG CYS 78 HG CYS 78 4.090 -7.361 -7.807 1279 HB2 CYS 78 2HB CYS 78 5.351 -9.464 -7.108 1280 HB3 CYS 78 1HB CYS 78 4.386 -9.778 -5.669 1281 HA PRO 79 HA PRO 79 6.267 -7.304 -1.343 1282 HB2 PRO 79 1HB PRO 79 6.575 -5.053 -1.155 1283 HB3 PRO 79 2HB PRO 79 5.171 -4.684 -2.160 1284 HG2 PRO 79 2HG PRO 79 6.857 -4.117 -3.645 1285 HG3 PRO 79 1HG PRO 79 7.977 -5.320 -2.978 1286 HD2 PRO 79 2HD PRO 79 5.692 -5.700 -4.876 1287 HD3 PRO 79 1HD PRO 79 7.305 -6.444 -4.889 1288 H VAL 80 H VAL 80 3.705 -7.228 -3.632 1289 HA VAL 80 HA VAL 80 1.578 -6.500 -1.941 1290 HB VAL 80 HB VAL 80 0.092 -7.535 -3.557 1291 HG11 VAL 80 1HG1 VAL 80 2.366 -6.062 -4.871 1292 HG12 VAL 80 2HG1 VAL 80 0.984 -5.332 -4.050 1293 HG13 VAL 80 3HG1 VAL 80 0.742 -6.258 -5.533 1294 HG21 VAL 80 3HG2 VAL 80 0.975 -8.692 -5.540 1295 HG22 VAL 80 1HG2 VAL 80 1.313 -9.571 -4.048 1296 HG23 VAL 80 2HG2 VAL 80 2.591 -8.640 -4.833 1297 H VAL 81 H VAL 81 3.330 -9.487 -2.337 1298 HA VAL 81 HA VAL 81 1.421 -11.286 -1.326 1299 HB VAL 81 HB VAL 81 4.427 -11.480 -1.080 1300 HG11 VAL 81 1HG1 VAL 81 3.227 -13.031 0.391 1301 HG12 VAL 81 2HG1 VAL 81 4.051 -13.885 -0.915 1302 HG13 VAL 81 3HG1 VAL 81 2.307 -13.629 -0.992 1303 HG21 VAL 81 3HG2 VAL 81 3.705 -11.153 -3.395 1304 HG22 VAL 81 1HG2 VAL 81 2.594 -12.515 -3.239 1305 HG23 VAL 81 2HG2 VAL 81 4.335 -12.781 -3.136 1306 H ILE 82 H ILE 82 4.040 -9.545 0.383 1307 HA ILE 82 HA ILE 82 3.166 -10.521 2.912 1308 HB ILE 82 HB ILE 82 4.746 -8.848 3.858 1309 HG12 ILE 82 2HG1 ILE 82 6.420 -8.067 1.924 1310 HG13 ILE 82 1HG1 ILE 82 4.919 -8.039 1.009 1311 HG21 ILE 82 1HG2 ILE 82 5.445 -11.114 3.442 1312 HG22 ILE 82 2HG2 ILE 82 6.765 -10.005 3.068 1313 HG23 ILE 82 3HG2 ILE 82 5.817 -10.718 1.765 1314 HD11 ILE 82 3HD1 ILE 82 3.944 -6.531 2.669 1315 HD12 ILE 82 1HD1 ILE 82 5.398 -5.859 1.930 1316 HD13 ILE 82 2HD1 ILE 82 5.471 -6.540 3.554 1317 H ALA 83 H ALA 83 2.540 -7.652 1.002 1318 HA ALA 83 HA ALA 83 1.273 -6.076 2.937 1319 HB1 ALA 83 3HB ALA 83 0.200 -4.924 1.090 1320 HB2 ALA 83 1HB ALA 83 0.598 -6.253 0.001 1321 HB3 ALA 83 2HB ALA 83 1.886 -5.267 0.695 1322 H LYS 84 H LYS 84 -0.228 -8.349 0.599 1323 HA LYS 84 HA LYS 84 -2.807 -8.235 1.735 1324 HB2 LYS 84 2HB LYS 84 -3.269 -10.322 0.522 1325 HB3 LYS 84 1HB LYS 84 -2.466 -9.144 -0.502 1326 HG2 LYS 84 2HG LYS 84 -0.395 -10.311 -0.338 1327 HG3 LYS 84 1HG LYS 84 -1.043 -11.392 0.893 1328 HD2 LYS 84 2HD LYS 84 -2.376 -11.271 -1.770 1329 HD3 LYS 84 1HD LYS 84 -0.855 -12.150 -1.618 1330 HE2 LYS 84 2HE LYS 84 -2.435 -13.798 -1.232 1331 HE3 LYS 84 1HE LYS 84 -1.988 -13.301 0.396 1332 HZ1 LYS 84 3HZ LYS 84 -3.990 -11.857 0.393 1333 HZ2 LYS 84 1HZ LYS 84 -4.344 -13.509 0.262 1334 HZ3 LYS 84 2HZ LYS 84 -4.428 -12.522 -1.109 1335 H GLN 85 H GLN 85 0.036 -10.021 2.589 1336 HA GLN 85 HA GLN 85 -1.150 -11.967 4.254 1337 HB2 GLN 85 2HB GLN 85 1.262 -11.832 3.340 1338 HB3 GLN 85 1HB GLN 85 1.576 -10.763 4.693 1339 HG2 GLN 85 2HG GLN 85 1.064 -12.480 6.270 1340 HG3 GLN 85 1HG GLN 85 0.511 -13.559 4.990 1341 HE21 GLN 85 2HE2 GLN 85 4.108 -13.597 3.789 1342 HE22 GLN 85 1HE2 GLN 85 2.688 -12.813 3.184 1343 H ILE 86 H ILE 86 0.066 -8.703 4.823 1344 HA ILE 86 HA ILE 86 -0.349 -8.652 7.618 1345 HB ILE 86 HB ILE 86 -0.254 -6.368 5.638 1346 HG12 ILE 86 2HG1 ILE 86 1.881 -7.433 7.503 1347 HG13 ILE 86 1HG1 ILE 86 1.790 -7.795 5.781 1348 HG21 ILE 86 1HG2 ILE 86 0.210 -4.945 7.578 1349 HG22 ILE 86 2HG2 ILE 86 -0.047 -6.322 8.646 1350 HG23 ILE 86 3HG2 ILE 86 -1.385 -5.693 7.685 1351 HD11 ILE 86 3HD1 ILE 86 2.064 -5.406 5.288 1352 HD12 ILE 86 1HD1 ILE 86 3.421 -6.067 6.201 1353 HD13 ILE 86 2HD1 ILE 86 2.207 -5.082 7.016 1354 H LEU 87 H LEU 87 -2.392 -7.562 4.895 1355 HA LEU 87 HA LEU 87 -4.453 -6.545 6.555 1356 HG LEU 87 HG LEU 87 -4.189 -8.490 3.363 1357 HB2 LEU 87 2HB LEU 87 -5.760 -6.272 4.609 1358 HB3 LEU 87 1HB LEU 87 -4.107 -5.970 4.128 1359 HD11 LEU 87 1HD1 LEU 87 -6.374 -9.149 2.527 1360 HD12 LEU 87 2HD1 LEU 87 -7.099 -7.698 3.220 1361 HD13 LEU 87 3HD1 LEU 87 -6.423 -8.940 4.277 1362 HD21 LEU 87 3HD2 LEU 87 -5.524 -6.246 1.857 1363 HD22 LEU 87 1HD2 LEU 87 -4.911 -7.740 1.145 1364 HD23 LEU 87 2HD2 LEU 87 -3.795 -6.597 1.894 1365 H SER 88 H SER 88 -3.628 -9.701 5.471 1366 HA SER 88 HA SER 88 -6.143 -10.932 6.061 1367 HG SER 88 HG SER 88 -6.046 -13.155 5.836 1368 HB2 SER 88 2HB SER 88 -4.421 -11.839 4.455 1369 HB3 SER 88 1HB SER 88 -3.410 -12.229 5.843 1370 H SER 89 H SER 89 -2.951 -10.965 7.620 1371 HA SER 89 HA SER 89 -2.269 -11.053 9.762 1372 HG SER 89 HG SER 89 -3.552 -10.924 12.182 1373 HB2 SER 89 2HB SER 89 -3.814 -9.121 10.011 1374 HB3 SER 89 1HB SER 89 -5.091 -10.239 10.490 1375 H ARG 90 H ARG 90 -4.303 -13.255 8.523 1376 HA ARG 90 HA ARG 90 -4.473 -14.807 11.007 1377 HE ARG 90 HE ARG 90 -6.692 -17.866 8.672 1378 HB2 ARG 90 2HB ARG 90 -5.955 -16.335 9.733 1379 HB3 ARG 90 1HB ARG 90 -6.580 -14.695 9.833 1380 HG2 ARG 90 2HG ARG 90 -6.184 -14.269 7.598 1381 HG3 ARG 90 1HG ARG 90 -4.989 -15.559 7.458 1382 HD2 ARG 90 2HD ARG 90 -7.951 -15.957 7.871 1383 HD3 ARG 90 1HD ARG 90 -7.106 -16.114 6.331 1384 HH11 ARG 90 1HH1 ARG 90 -6.616 -17.296 5.215 1385 HH12 ARG 90 2HH1 ARG 90 -6.180 -18.933 4.825 1386 HH21 ARG 90 2HH2 ARG 90 -5.841 -20.475 6.531 1387 HH22 ARG 90 1HH2 ARG 90 -6.088 -19.994 8.188 1388 HA PRO 91 HA PRO 91 -1.015 -17.224 9.652 1389 HB2 PRO 91 1HB PRO 91 -0.518 -18.424 11.517 1390 HB3 PRO 91 2HB PRO 91 -2.017 -19.350 11.410 1391 HG2 PRO 91 2HG PRO 91 -2.546 -18.083 13.262 1392 HG3 PRO 91 1HG PRO 91 -1.487 -16.749 12.766 1393 HD2 PRO 91 2HD PRO 91 -4.257 -17.417 11.840 1394 HD3 PRO 91 1HD PRO 91 -3.540 -15.832 12.201 1395 H LYS 92 H LYS 92 -1.652 -17.662 7.534 1396 HA LYS 92 HA LYS 92 -3.516 -19.689 6.856 1397 HB2 LYS 92 2HB LYS 92 -2.809 -17.911 5.281 1398 HB3 LYS 92 1HB LYS 92 -1.196 -18.605 5.237 1399 HG2 LYS 92 2HG LYS 92 -1.993 -20.576 4.151 1400 HG3 LYS 92 1HG LYS 92 -3.671 -20.087 4.386 1401 HD2 LYS 92 2HD LYS 92 -1.674 -18.536 2.745 1402 HD3 LYS 92 1HD LYS 92 -2.799 -19.717 2.073 1403 HE2 LYS 92 2HE LYS 92 -4.685 -18.397 2.912 1404 HE3 LYS 92 1HE LYS 92 -3.561 -17.218 3.588 1405 HZ1 LYS 92 3HZ LYS 92 -4.491 -16.536 1.428 1406 HZ2 LYS 92 1HZ LYS 92 -3.771 -17.887 0.699 1407 HZ3 LYS 92 2HZ LYS 92 -2.808 -16.678 1.388 1408 H LEU 93 H LEU 93 -3.292 -21.815 6.989 1409 HA LEU 93 HA LEU 93 -1.156 -22.934 8.381 1410 HG LEU 93 HG LEU 93 -2.926 -23.849 9.693 1411 HB2 LEU 93 2HB LEU 93 -3.315 -24.227 6.733 1412 HB3 LEU 93 1HB LEU 93 -2.122 -25.151 7.625 1413 HD11 LEU 93 1HD1 LEU 93 -4.200 -22.136 8.529 1414 HD12 LEU 93 2HD1 LEU 93 -5.225 -23.068 9.622 1415 HD13 LEU 93 3HD1 LEU 93 -5.285 -23.371 7.886 1416 HD21 LEU 93 3HD2 LEU 93 -4.738 -25.439 10.070 1417 HD22 LEU 93 1HD2 LEU 93 -3.334 -26.217 9.344 1418 HD23 LEU 93 2HD2 LEU 93 -4.745 -25.844 8.356 1419 H HIS 94 H HIS 94 0.611 -24.063 7.861 1420 HA HIS 94 HA HIS 94 1.807 -23.545 5.317 1421 HD1 HIS 94 1HD HIS 94 5.208 -23.008 6.413 1422 HD2 HIS 94 2HD HIS 94 2.030 -22.774 9.090 1423 HE1 HIS 94 1HE HIS 94 5.673 -20.996 7.850 1424 HE2 HIS 94 2HE HIS 94 3.645 -20.765 9.328 1425 HB2 HIS 94 2HB HIS 94 2.701 -25.281 7.632 1426 HB3 HIS 94 1HB HIS 94 3.683 -24.945 6.210 1427 H ALA 95 H ALA 95 1.107 -24.571 3.580 1428 HA ALA 95 HA ALA 95 1.194 -27.457 3.484 1429 HB1 ALA 95 3HB ALA 95 -1.388 -26.007 2.908 1430 HB2 ALA 95 1HB ALA 95 -1.081 -27.061 4.290 1431 HB3 ALA 95 2HB ALA 95 -1.082 -27.726 2.657 1432 H VAL 96 H VAL 96 1.969 -28.070 1.563 1433 HA VAL 96 HA VAL 96 1.856 -26.100 -0.631 1434 HB VAL 96 HB VAL 96 3.843 -28.363 -0.373 1435 HG11 VAL 96 1HG1 VAL 96 5.089 -27.122 -2.080 1436 HG12 VAL 96 2HG1 VAL 96 3.814 -25.906 -2.126 1437 HG13 VAL 96 3HG1 VAL 96 3.476 -27.554 -2.648 1438 HG21 VAL 96 3HG2 VAL 96 4.144 -26.814 1.490 1439 HG22 VAL 96 1HG2 VAL 96 4.215 -25.459 0.361 1440 HG23 VAL 96 2HG2 VAL 96 5.479 -26.690 0.343 Start of MODEL 9 1 HA MET 1 HA MET 1 9.062 0.222 -18.141 2 H1 MET 1 1H MET 1 8.666 -2.140 -18.072 3 H2 MET 1 2H MET 1 9.663 -2.300 -16.712 4 H3 MET 1 3H MET 1 10.325 -1.823 -18.198 5 HB2 MET 1 2HB MET 1 7.187 -0.670 -16.787 6 HB3 MET 1 1HB MET 1 8.246 -0.707 -15.382 7 HG2 MET 1 2HG MET 1 6.820 1.242 -15.327 8 HG3 MET 1 1HG MET 1 8.509 1.713 -15.510 9 HE1 MET 1 3HE MET 1 7.886 4.146 -16.281 10 HE2 MET 1 1HE MET 1 6.187 3.756 -16.027 11 HE3 MET 1 2HE MET 1 6.706 4.501 -17.542 12 H GLY 2 H GLY 2 10.621 -1.309 -15.324 13 HA2 GLY 2 2HA GLY 2 12.958 -0.787 -14.923 14 HA3 GLY 2 1HA GLY 2 12.622 0.856 -15.446 15 H SER 3 H SER 3 12.728 -1.328 -12.838 16 HA SER 3 HA SER 3 12.550 0.908 -11.004 17 HG SER 3 HG SER 3 10.321 0.789 -11.896 18 HB2 SER 3 2HB SER 3 10.736 -1.507 -10.724 19 HB3 SER 3 1HB SER 3 10.992 -0.294 -9.472 20 H SER 4 H SER 4 14.436 0.740 -10.004 21 HA SER 4 HA SER 4 15.948 -1.648 -9.923 22 HG SER 4 HG SER 4 16.752 1.683 -7.801 23 HB2 SER 4 2HB SER 4 17.411 -0.250 -8.322 24 HB3 SER 4 1HB SER 4 17.210 0.340 -9.971 25 H HIS 5 H HIS 5 15.290 -3.337 -8.783 26 HA HIS 5 HA HIS 5 14.111 -2.866 -6.135 27 HD1 HIS 5 1HD HIS 5 14.224 -6.852 -5.594 28 HD2 HIS 5 2HD HIS 5 11.047 -4.174 -5.673 29 HE1 HIS 5 1HE HIS 5 12.727 -7.524 -3.700 30 HE2 HIS 5 2HE HIS 5 10.686 -6.081 -3.963 31 HB2 HIS 5 2HB HIS 5 12.803 -4.184 -7.824 32 HB3 HIS 5 1HB HIS 5 14.065 -5.410 -7.769 33 H HIS 6 H HIS 6 15.205 -3.345 -4.371 34 HA HIS 6 HA HIS 6 17.337 -5.362 -4.543 35 HD1 HIS 6 1HD HIS 6 20.386 -4.488 -4.280 36 HD2 HIS 6 2HD HIS 6 17.833 -1.408 -5.438 37 HE1 HIS 6 1HE HIS 6 21.559 -3.300 -6.163 38 HE2 HIS 6 2HE HIS 6 19.895 -1.600 -6.995 39 HB2 HIS 6 2HB HIS 6 17.329 -2.762 -3.001 40 HB3 HIS 6 1HB HIS 6 18.442 -4.079 -2.638 41 H HIS 7 H HIS 7 17.867 -5.913 -1.993 42 HA HIS 7 HA HIS 7 15.423 -7.291 -1.281 43 HD1 HIS 7 1HD HIS 7 19.685 -8.876 -1.465 44 HD2 HIS 7 2HD HIS 7 15.670 -9.764 -2.108 45 HE1 HIS 7 1HE HIS 7 19.660 -10.699 -3.201 46 HE2 HIS 7 2HE HIS 7 17.241 -11.386 -3.374 47 HB2 HIS 7 2HB HIS 7 18.216 -7.436 -0.145 48 HB3 HIS 7 1HB HIS 7 16.869 -8.396 0.447 49 H HIS 8 H HIS 8 14.411 -7.242 0.711 50 HA HIS 8 HA HIS 8 15.313 -5.165 2.586 51 HD1 HIS 8 1HD HIS 8 13.733 -2.648 3.361 52 HD2 HIS 8 2HD HIS 8 11.623 -5.967 4.712 53 HE1 HIS 8 1HE HIS 8 12.847 -2.017 5.619 54 HE2 HIS 8 2HE HIS 8 11.354 -3.928 6.278 55 HB2 HIS 8 2HB HIS 8 13.199 -4.446 1.518 56 HB3 HIS 8 1HB HIS 8 12.430 -5.935 2.054 57 H HIS 9 H HIS 9 16.571 -6.946 3.386 58 HA HIS 9 HA HIS 9 14.976 -8.672 5.160 59 HD1 HIS 9 1HD HIS 9 14.647 -11.480 4.672 60 HD2 HIS 9 2HD HIS 9 18.528 -10.989 6.098 61 HE1 HIS 9 1HE HIS 9 15.042 -13.403 6.253 62 HE2 HIS 9 2HE HIS 9 17.383 -13.074 7.133 63 HB2 HIS 9 2HB HIS 9 16.208 -9.853 3.267 64 HB3 HIS 9 1HB HIS 9 17.704 -9.355 4.049 65 H HIS 10 H HIS 10 15.086 -7.542 7.022 66 HA HIS 10 HA HIS 10 17.668 -6.343 7.759 67 HD1 HIS 10 1HD HIS 10 17.386 -3.079 8.057 68 HD2 HIS 10 2HD HIS 10 16.151 -5.221 11.405 69 HE1 HIS 10 1HE HIS 10 18.291 -1.826 10.041 70 HE2 HIS 10 2HE HIS 10 17.379 -3.040 12.054 71 HB2 HIS 10 2HB HIS 10 15.652 -4.857 7.537 72 HB3 HIS 10 1HB HIS 10 14.929 -5.725 8.884 73 H SER 11 H SER 11 14.921 -8.121 9.165 74 HA SER 11 HA SER 11 16.752 -9.453 10.992 75 HG SER 11 HG SER 11 14.028 -6.920 12.633 76 HB2 SER 11 2HB SER 11 15.148 -8.886 12.918 77 HB3 SER 11 1HB SER 11 16.229 -7.607 12.364 78 H SER 12 H SER 12 15.980 -11.400 11.823 79 HA SER 12 HA SER 12 13.281 -12.233 11.051 80 HG SER 12 HG SER 12 16.277 -14.109 11.402 81 HB2 SER 12 2HB SER 12 14.209 -14.438 10.300 82 HB3 SER 12 1HB SER 12 14.694 -13.087 9.275 83 H GLY 13 H GLY 13 12.421 -12.470 13.037 84 HA2 GLY 13 2HA GLY 13 13.431 -14.560 14.743 85 HA3 GLY 13 1HA GLY 13 13.647 -12.953 15.426 86 H ARG 14 H ARG 14 12.203 -12.990 17.068 87 HA ARG 14 HA ARG 14 9.372 -13.181 16.269 88 HE ARG 14 HE ARG 14 12.729 -14.124 20.864 89 HB2 ARG 14 2HB ARG 14 8.778 -14.343 18.304 90 HB3 ARG 14 1HB ARG 14 10.007 -15.266 17.457 91 HG2 ARG 14 2HG ARG 14 10.730 -13.385 19.676 92 HG3 ARG 14 1HG ARG 14 10.188 -15.031 20.002 93 HD2 ARG 14 2HD ARG 14 12.014 -15.912 18.660 94 HD3 ARG 14 1HD ARG 14 12.529 -14.274 18.258 95 HH11 ARG 14 1HH1 ARG 14 13.577 -16.839 18.813 96 HH12 ARG 14 2HH1 ARG 14 14.839 -17.404 19.873 97 HH21 ARG 14 2HH2 ARG 14 15.278 -16.304 21.826 98 HH22 ARG 14 1HH2 ARG 14 14.362 -14.898 22.272 99 H GLU 15 H GLU 15 11.637 -11.180 17.168 100 HA GLU 15 HA GLU 15 10.392 -9.841 19.393 101 HB2 GLU 15 2HB GLU 15 12.242 -8.096 18.154 102 HB3 GLU 15 1HB GLU 15 12.445 -9.000 19.644 103 HG2 GLU 15 2HG GLU 15 13.108 -10.078 16.911 104 HG3 GLU 15 1HG GLU 15 14.270 -9.299 17.984 105 H ASN 16 H ASN 16 9.879 -7.484 19.230 106 HA ASN 16 HA ASN 16 8.794 -5.695 18.338 107 HB2 ASN 16 2HB ASN 16 10.231 -5.629 16.446 108 HB3 ASN 16 1HB ASN 16 9.497 -7.061 15.741 109 HD21 ASN 16 2HD2 ASN 16 6.963 -5.362 14.111 110 HD22 ASN 16 1HD2 ASN 16 7.665 -6.874 14.555 111 H LEU 17 H LEU 17 6.632 -5.113 17.672 112 HA LEU 17 HA LEU 17 4.839 -7.404 18.028 113 HG LEU 17 HG LEU 17 4.668 -6.854 20.462 114 HB2 LEU 17 2HB LEU 17 4.450 -4.469 18.634 115 HB3 LEU 17 1HB LEU 17 3.180 -5.664 18.763 116 HD11 LEU 17 1HD1 LEU 17 6.764 -5.728 19.957 117 HD12 LEU 17 2HD1 LEU 17 6.291 -5.452 21.633 118 HD13 LEU 17 3HD1 LEU 17 6.061 -4.180 20.434 119 HD21 LEU 17 3HD2 LEU 17 3.588 -4.117 21.104 120 HD22 LEU 17 1HD2 LEU 17 3.917 -5.398 22.268 121 HD23 LEU 17 2HD2 LEU 17 2.660 -5.615 21.049 122 H TYR 18 H TYR 18 2.473 -6.365 17.268 123 HA TYR 18 HA TYR 18 2.834 -6.035 14.370 124 HD1 TYR 18 2HD TYR 18 1.902 -7.526 12.460 125 HD2 TYR 18 1HD TYR 18 -1.505 -6.662 14.860 126 HE1 TYR 18 2HE TYR 18 0.507 -7.431 10.434 127 HE2 TYR 18 1HE TYR 18 -2.908 -6.563 12.846 128 HH TYR 18 HH TYR 18 -1.813 -7.615 9.769 129 HB2 TYR 18 2HB TYR 18 1.696 -8.088 15.025 130 HB3 TYR 18 1HB TYR 18 0.493 -7.161 15.903 131 H PHE 19 H PHE 19 2.988 -3.912 14.289 132 HA PHE 19 HA PHE 19 2.344 -1.779 13.944 133 HD1 PHE 19 1HD PHE 19 1.288 -0.562 11.959 134 HD2 PHE 19 2HD PHE 19 -0.414 -4.438 12.355 135 HE1 PHE 19 1HE PHE 19 1.539 -0.913 9.537 136 HE2 PHE 19 2HE PHE 19 -0.168 -4.796 9.936 137 HZ PHE 19 HZ PHE 19 0.811 -3.036 8.521 138 HB2 PHE 19 2HB PHE 19 -0.377 -3.023 14.186 139 HB3 PHE 19 1HB PHE 19 -0.178 -1.288 13.950 140 H GLN 20 H GLN 20 0.586 -3.145 16.713 141 HA GLN 20 HA GLN 20 0.209 -0.773 18.140 142 HB2 GLN 20 2HB GLN 20 -0.829 -2.963 18.689 143 HB3 GLN 20 1HB GLN 20 0.731 -3.535 19.260 144 HG2 GLN 20 2HG GLN 20 0.719 -1.765 20.971 145 HG3 GLN 20 1HG GLN 20 -0.886 -1.281 20.423 146 HE21 GLN 20 2HE2 GLN 20 -2.572 -3.898 22.008 147 HE22 GLN 20 1HE2 GLN 20 -2.649 -2.628 20.836 148 H GLY 21 H GLY 21 2.964 -2.926 17.932 149 HA2 GLY 21 2HA GLY 21 4.618 -0.801 19.122 150 HA3 GLY 21 1HA GLY 21 4.850 -2.483 19.594 151 H MET 22 H MET 22 6.244 -0.223 17.799 152 HA MET 22 HA MET 22 7.034 -2.091 15.667 153 HB2 MET 22 2HB MET 22 6.336 0.827 15.255 154 HB3 MET 22 1HB MET 22 6.962 -0.260 14.024 155 HG2 MET 22 2HG MET 22 4.471 -1.069 15.397 156 HG3 MET 22 1HG MET 22 4.376 0.303 14.299 157 HE1 MET 22 3HE MET 22 5.122 -3.526 14.674 158 HE2 MET 22 1HE MET 22 6.663 -2.938 14.046 159 HE3 MET 22 2HE MET 22 5.634 -3.962 13.046 160 H THR 23 H THR 23 8.974 -1.132 14.431 161 HA THR 23 HA THR 23 10.693 0.411 16.261 162 HB THR 23 HB THR 23 11.452 -1.962 16.022 163 HG1 THR 23 1HG THR 23 13.110 -0.639 16.516 164 HG21 THR 23 3HG2 THR 23 12.515 -2.642 13.896 165 HG22 THR 23 1HG2 THR 23 11.897 -1.175 13.137 166 HG23 THR 23 2HG2 THR 23 10.776 -2.403 13.730 167 H ASP 24 H ASP 24 12.700 1.180 14.681 168 HA ASP 24 HA ASP 24 11.469 3.197 13.086 169 HB2 ASP 24 2HB ASP 24 13.538 3.612 14.322 170 HB3 ASP 24 1HB ASP 24 14.380 2.419 13.340 171 H THR 25 H THR 25 13.126 0.183 12.378 172 HA THR 25 HA THR 25 13.539 0.453 9.641 173 HB THR 25 HB THR 25 12.808 -2.070 11.143 174 HG1 THR 25 1HG THR 25 14.669 -0.867 11.945 175 HG21 THR 25 3HG2 THR 25 12.655 -2.372 8.734 176 HG22 THR 25 1HG2 THR 25 14.070 -3.212 9.368 177 HG23 THR 25 2HG2 THR 25 14.262 -1.675 8.525 178 H ALA 26 H ALA 26 10.580 -0.153 11.391 179 HA ALA 26 HA ALA 26 9.025 -1.307 9.359 180 HB1 ALA 26 3HB ALA 26 8.328 -1.298 11.703 181 HB2 ALA 26 1HB ALA 26 7.086 -0.602 10.663 182 HB3 ALA 26 2HB ALA 26 8.112 0.452 11.636 183 H ALA 27 H ALA 27 10.028 1.968 9.893 184 HA ALA 27 HA ALA 27 8.036 3.299 8.412 185 HB1 ALA 27 3HB ALA 27 10.908 4.109 8.846 186 HB2 ALA 27 1HB ALA 27 9.559 4.471 9.923 187 HB3 ALA 27 2HB ALA 27 9.604 5.162 8.301 188 H GLU 28 H GLU 28 10.866 1.505 7.491 189 HA GLU 28 HA GLU 28 10.990 2.538 4.820 190 HB2 GLU 28 2HB GLU 28 12.941 1.539 6.063 191 HB3 GLU 28 1HB GLU 28 12.187 -0.036 5.859 192 HG2 GLU 28 2HG GLU 28 12.310 0.218 3.432 193 HG3 GLU 28 1HG GLU 28 13.074 1.794 3.641 194 H ASP 29 H ASP 29 9.750 -0.430 6.326 195 HA ASP 29 HA ASP 29 9.027 -1.824 4.020 196 HB2 ASP 29 2HB ASP 29 7.767 -1.804 6.775 197 HB3 ASP 29 1HB ASP 29 7.292 -2.925 5.507 198 H VAL 30 H VAL 30 6.982 0.282 6.041 199 HA VAL 30 HA VAL 30 4.693 -0.029 4.428 200 HB VAL 30 HB VAL 30 5.342 2.259 6.291 201 HG11 VAL 30 1HG1 VAL 30 2.912 2.529 6.447 202 HG12 VAL 30 2HG1 VAL 30 2.696 1.263 5.239 203 HG13 VAL 30 3HG1 VAL 30 3.489 2.776 4.798 204 HG21 VAL 30 3HG2 VAL 30 5.510 0.148 7.459 205 HG22 VAL 30 1HG2 VAL 30 3.947 -0.359 6.821 206 HG23 VAL 30 2HG2 VAL 30 4.042 0.988 7.955 207 H ARG 31 H ARG 31 7.317 2.334 4.405 208 HA ARG 31 HA ARG 31 6.112 4.107 2.550 209 HE ARG 31 HE ARG 31 8.918 8.010 1.569 210 HB2 ARG 31 2HB ARG 31 8.031 4.684 4.049 211 HB3 ARG 31 1HB ARG 31 9.063 3.680 3.039 212 HG2 ARG 31 2HG ARG 31 8.621 5.125 1.128 213 HG3 ARG 31 1HG ARG 31 7.559 6.124 2.122 214 HD2 ARG 31 2HD ARG 31 9.520 6.541 3.627 215 HD3 ARG 31 1HD ARG 31 10.527 5.725 2.431 216 HH11 ARG 31 1HH1 ARG 31 12.043 6.648 2.311 217 HH12 ARG 31 2HH1 ARG 31 12.942 7.937 1.572 218 HH21 ARG 31 2HH2 ARG 31 11.815 9.709 0.597 219 HH22 ARG 31 1HH2 ARG 31 10.076 9.727 0.593 220 H LYS 32 H LYS 32 8.365 1.405 2.207 221 HA LYS 32 HA LYS 32 8.783 1.665 -0.570 222 HB2 LYS 32 2HB LYS 32 8.993 -0.728 1.258 223 HB3 LYS 32 1HB LYS 32 9.506 -0.748 -0.416 224 HG2 LYS 32 2HG LYS 32 11.040 1.176 0.163 225 HG3 LYS 32 1HG LYS 32 10.650 0.851 1.852 226 HD2 LYS 32 2HD LYS 32 12.600 -0.361 1.537 227 HD3 LYS 32 1HD LYS 32 11.347 -1.579 1.296 228 HE2 LYS 32 2HE LYS 32 12.996 -1.818 -0.433 229 HE3 LYS 32 1HE LYS 32 11.513 -1.187 -1.150 230 HZ1 LYS 32 3HZ LYS 32 13.858 0.463 -0.375 231 HZ2 LYS 32 1HZ LYS 32 12.461 1.017 -1.157 232 HZ3 LYS 32 2HZ LYS 32 13.517 -0.045 -1.954 233 H ILE 33 H ILE 33 6.434 -0.222 1.301 234 HA ILE 33 HA ILE 33 5.237 -1.481 -0.937 235 HB ILE 33 HB ILE 33 4.060 -0.910 1.790 236 HG12 ILE 33 2HG1 ILE 33 5.330 -3.421 0.669 237 HG13 ILE 33 1HG1 ILE 33 6.105 -2.314 1.800 238 HG21 ILE 33 1HG2 ILE 33 2.302 -1.318 0.146 239 HG22 ILE 33 2HG2 ILE 33 2.440 -2.682 1.254 240 HG23 ILE 33 3HG2 ILE 33 3.111 -2.797 -0.373 241 HD11 ILE 33 3HD1 ILE 33 3.614 -3.915 2.333 242 HD12 ILE 33 1HD1 ILE 33 4.408 -2.826 3.469 243 HD13 ILE 33 2HD1 ILE 33 5.234 -4.288 2.923 244 H ALA 34 H ALA 34 4.301 1.384 0.961 245 HA ALA 34 HA ALA 34 1.910 1.941 -0.354 246 HB1 ALA 34 3HB ALA 34 3.779 3.908 0.959 247 HB2 ALA 34 1HB ALA 34 2.539 2.956 1.775 248 HB3 ALA 34 2HB ALA 34 2.074 4.177 0.591 249 H THR 35 H THR 35 5.200 2.843 -1.204 250 HA THR 35 HA THR 35 4.408 4.726 -3.186 251 HB THR 35 HB THR 35 7.076 3.313 -2.943 252 HG1 THR 35 1HG THR 35 6.653 4.404 -1.019 253 HG21 THR 35 3HG2 THR 35 6.753 4.448 -5.091 254 HG22 THR 35 1HG2 THR 35 7.960 5.280 -4.111 255 HG23 THR 35 2HG2 THR 35 6.330 5.937 -4.247 256 H ALA 36 H ALA 36 5.062 1.293 -3.168 257 HA ALA 36 HA ALA 36 5.150 0.970 -5.999 258 HB1 ALA 36 3HB ALA 36 6.087 -0.689 -4.456 259 HB2 ALA 36 1HB ALA 36 4.894 -1.407 -5.538 260 HB3 ALA 36 2HB ALA 36 4.465 -1.050 -3.865 261 H LEU 37 H LEU 37 2.622 1.059 -3.595 262 HA LEU 37 HA LEU 37 0.497 -0.013 -5.077 263 HG LEU 37 HG LEU 37 1.670 0.795 -1.981 264 HB2 LEU 37 2HB LEU 37 0.162 2.279 -3.165 265 HB3 LEU 37 1HB LEU 37 -0.938 0.955 -3.483 266 HD11 LEU 37 1HD1 LEU 37 -1.196 0.503 -1.071 267 HD12 LEU 37 2HD1 LEU 37 -0.126 1.861 -0.729 268 HD13 LEU 37 3HD1 LEU 37 0.235 0.267 -0.068 269 HD21 LEU 37 3HD2 LEU 37 -0.347 -1.374 -2.604 270 HD22 LEU 37 1HD2 LEU 37 1.045 -1.539 -1.533 271 HD23 LEU 37 2HD2 LEU 37 1.287 -1.252 -3.255 272 H LEU 38 H LEU 38 1.851 3.213 -4.904 273 HA LEU 38 HA LEU 38 -0.120 4.661 -6.208 274 HG LEU 38 HG LEU 38 2.092 5.033 -4.012 275 HB2 LEU 38 2HB LEU 38 2.861 5.085 -6.374 276 HB3 LEU 38 1HB LEU 38 1.628 6.282 -6.723 277 HD11 LEU 38 1HD1 LEU 38 3.029 7.203 -3.395 278 HD12 LEU 38 2HD1 LEU 38 2.866 7.747 -5.066 279 HD13 LEU 38 3HD1 LEU 38 3.967 6.427 -4.669 280 HD21 LEU 38 3HD2 LEU 38 0.332 7.326 -4.880 281 HD22 LEU 38 1HD2 LEU 38 0.607 6.813 -3.215 282 HD23 LEU 38 2HD2 LEU 38 -0.213 5.736 -4.347 283 H LYS 39 H LYS 39 2.444 2.654 -7.560 284 HA LYS 39 HA LYS 39 1.834 3.585 -10.235 285 HB2 LYS 39 2HB LYS 39 3.905 1.638 -9.228 286 HB3 LYS 39 1HB LYS 39 3.752 2.176 -10.888 287 HG2 LYS 39 2HG LYS 39 4.017 4.548 -9.916 288 HG3 LYS 39 1HG LYS 39 4.634 3.718 -8.487 289 HD2 LYS 39 2HD LYS 39 5.727 3.448 -11.290 290 HD3 LYS 39 1HD LYS 39 6.440 4.416 -10.001 291 HE2 LYS 39 2HE LYS 39 6.728 2.351 -8.668 292 HE3 LYS 39 1HE LYS 39 6.100 1.418 -10.027 293 HZ1 LYS 39 3HZ LYS 39 8.572 3.068 -9.994 294 HZ2 LYS 39 1HZ LYS 39 7.941 2.327 -11.384 295 HZ3 LYS 39 2HZ LYS 39 8.482 1.377 -10.090 296 H THR 40 H THR 40 0.855 1.037 -8.183 297 HA THR 40 HA THR 40 0.202 -0.649 -10.498 298 HB THR 40 HB THR 40 1.554 -1.647 -8.624 299 HG1 THR 40 1HG THR 40 -0.935 -2.738 -9.451 300 HG21 THR 40 3HG2 THR 40 -1.069 -1.484 -7.135 301 HG22 THR 40 1HG2 THR 40 0.410 -0.613 -6.729 302 HG23 THR 40 2HG2 THR 40 0.361 -2.373 -6.609 303 H ALA 41 H ALA 41 -1.257 1.289 -8.024 304 HA ALA 41 HA ALA 41 -3.887 0.098 -8.485 305 HB1 ALA 41 3HB ALA 41 -4.643 1.501 -6.632 306 HB2 ALA 41 1HB ALA 41 -3.044 2.244 -6.543 307 HB3 ALA 41 2HB ALA 41 -3.243 0.531 -6.175 308 H ILE 42 H ILE 42 -2.003 2.788 -9.448 309 HA ILE 42 HA ILE 42 -4.361 4.129 -10.568 310 HB ILE 42 HB ILE 42 -1.508 5.115 -10.332 311 HG12 ILE 42 2HG1 ILE 42 -4.016 5.961 -8.856 312 HG13 ILE 42 1HG1 ILE 42 -2.707 4.999 -8.178 313 HG21 ILE 42 1HG2 ILE 42 -2.368 7.268 -11.098 314 HG22 ILE 42 2HG2 ILE 42 -3.963 6.552 -11.326 315 HG23 ILE 42 3HG2 ILE 42 -2.605 6.011 -12.313 316 HD11 ILE 42 3HD1 ILE 42 -2.585 7.332 -7.479 317 HD12 ILE 42 1HD1 ILE 42 -2.462 7.831 -9.167 318 HD13 ILE 42 2HD1 ILE 42 -1.179 6.867 -8.435 319 H GLU 43 H GLU 43 -4.869 3.544 -12.585 320 HA GLU 43 HA GLU 43 -2.740 2.353 -14.220 321 HB2 GLU 43 2HB GLU 43 -4.482 1.185 -15.434 322 HB3 GLU 43 1HB GLU 43 -4.660 0.892 -13.711 323 HG2 GLU 43 2HG GLU 43 -6.213 3.125 -14.887 324 HG3 GLU 43 1HG GLU 43 -6.707 1.482 -15.287 325 H ILE 44 H ILE 44 -2.699 2.754 -16.487 326 HA ILE 44 HA ILE 44 -4.068 5.211 -17.307 327 HB ILE 44 HB ILE 44 -2.295 4.901 -19.293 328 HG12 ILE 44 2HG1 ILE 44 -0.067 4.461 -18.093 329 HG13 ILE 44 1HG1 ILE 44 -1.025 3.651 -16.865 330 HG21 ILE 44 1HG2 ILE 44 -0.921 6.604 -18.156 331 HG22 ILE 44 2HG2 ILE 44 -1.802 6.278 -16.663 332 HG23 ILE 44 3HG2 ILE 44 -2.649 6.938 -18.061 333 HD11 ILE 44 3HD1 ILE 44 -0.878 2.898 -19.776 334 HD12 ILE 44 1HD1 ILE 44 -1.846 2.083 -18.547 335 HD13 ILE 44 2HD1 ILE 44 -0.086 2.065 -18.439 336 H VAL 45 H VAL 45 -5.605 5.041 -18.751 337 HA VAL 45 HA VAL 45 -5.990 2.409 -19.984 338 HB VAL 45 HB VAL 45 -8.380 3.163 -20.305 339 HG11 VAL 45 1HG1 VAL 45 -7.369 2.976 -17.471 340 HG12 VAL 45 2HG1 VAL 45 -7.692 1.612 -18.539 341 HG13 VAL 45 3HG1 VAL 45 -9.017 2.649 -18.009 342 HG21 VAL 45 3HG2 VAL 45 -9.192 4.960 -18.835 343 HG22 VAL 45 1HG2 VAL 45 -8.077 5.567 -20.060 344 HG23 VAL 45 2HG2 VAL 45 -7.528 5.344 -18.400 345 H SER 46 H SER 46 -5.373 2.275 -21.992 346 HA SER 46 HA SER 46 -5.209 4.607 -23.681 347 HG SER 46 HG SER 46 -5.486 1.134 -24.281 348 HB2 SER 46 2HB SER 46 -4.334 2.929 -25.357 349 HB3 SER 46 1HB SER 46 -3.414 3.022 -23.854 350 H GLU 47 H GLU 47 -6.458 5.063 -25.414 351 HA GLU 47 HA GLU 47 -9.005 3.661 -25.605 352 HB2 GLU 47 2HB GLU 47 -7.986 6.165 -26.967 353 HB3 GLU 47 1HB GLU 47 -9.602 5.507 -27.165 354 HG2 GLU 47 2HG GLU 47 -10.012 5.841 -24.773 355 HG3 GLU 47 1HG GLU 47 -8.406 6.552 -24.613 356 H GLU 48 H GLU 48 -9.780 3.635 -28.072 357 HA GLU 48 HA GLU 48 -7.826 1.986 -29.462 358 HB2 GLU 48 2HB GLU 48 -10.333 1.456 -29.152 359 HB3 GLU 48 1HB GLU 48 -10.596 2.627 -30.433 360 HG2 GLU 48 2HG GLU 48 -9.301 1.327 -31.976 361 HG3 GLU 48 1HG GLU 48 -8.836 0.203 -30.700 362 H ASP 49 H ASP 49 -8.997 5.181 -29.462 363 HA ASP 49 HA ASP 49 -7.425 5.759 -31.863 364 HB2 ASP 49 2HB ASP 49 -9.684 5.550 -32.710 365 HB3 ASP 49 1HB ASP 49 -10.291 6.642 -31.469 366 H GLY 50 H GLY 50 -9.332 7.168 -29.217 367 HA2 GLY 50 2HA GLY 50 -8.537 9.817 -29.568 368 HA3 GLY 50 1HA GLY 50 -9.177 9.144 -28.084 369 H GLY 51 H GLY 51 -6.855 7.279 -27.821 370 HA2 GLY 51 2HA GLY 51 -4.386 7.962 -27.698 371 HA3 GLY 51 1HA GLY 51 -5.013 9.310 -26.769 372 H ALA 52 H ALA 52 -4.661 9.047 -24.713 373 HA ALA 52 HA ALA 52 -5.421 6.573 -23.399 374 HB1 ALA 52 3HB ALA 52 -3.285 6.273 -22.270 375 HB2 ALA 52 1HB ALA 52 -2.611 7.636 -23.165 376 HB3 ALA 52 2HB ALA 52 -3.087 6.170 -24.021 377 H HIS 53 H HIS 53 -5.909 6.839 -21.232 378 HA HIS 53 HA HIS 53 -5.768 9.614 -20.229 379 HD1 HIS 53 1HD HIS 53 -8.398 11.232 -20.633 380 HD2 HIS 53 2HD HIS 53 -8.755 7.542 -22.495 381 HE1 HIS 53 1HE HIS 53 -9.435 11.703 -22.855 382 HE2 HIS 53 2HE HIS 53 -9.429 9.488 -24.055 383 HB2 HIS 53 2HB HIS 53 -8.007 7.609 -19.811 384 HB3 HIS 53 1HB HIS 53 -7.924 9.215 -19.090 385 H ASN 54 H ASN 54 -5.036 9.876 -18.162 386 HA ASN 54 HA ASN 54 -4.092 7.550 -16.710 387 HB2 ASN 54 2HB ASN 54 -2.837 9.739 -16.784 388 HB3 ASN 54 1HB ASN 54 -4.138 10.454 -15.839 389 HD21 ASN 54 2HD2 ASN 54 -1.288 8.188 -14.095 390 HD22 ASN 54 1HD2 ASN 54 -1.372 8.406 -15.805 391 H GLN 55 H GLN 55 -5.218 6.559 -15.082 392 HA GLN 55 HA GLN 55 -7.655 7.915 -14.147 393 HB2 GLN 55 2HB GLN 55 -8.282 6.298 -15.876 394 HB3 GLN 55 1HB GLN 55 -7.424 5.028 -15.016 395 HG2 GLN 55 2HG GLN 55 -8.978 5.400 -13.093 396 HG3 GLN 55 1HG GLN 55 -9.907 6.474 -14.134 397 HE21 GLN 55 2HE2 GLN 55 -10.409 3.432 -16.342 398 HE22 GLN 55 1HE2 GLN 55 -9.378 4.811 -16.500 399 H CYS 56 H CYS 56 -8.118 7.699 -12.038 400 HA CYS 56 HA CYS 56 -6.609 5.696 -10.498 401 HG CYS 56 HG CYS 56 -7.366 10.074 -9.780 402 HB2 CYS 56 2HB CYS 56 -7.060 7.161 -8.510 403 HB3 CYS 56 1HB CYS 56 -6.017 7.901 -9.719 404 H LYS 57 H LYS 57 -8.062 4.038 -10.844 405 HA LYS 57 HA LYS 57 -10.828 4.244 -10.940 406 HB2 LYS 57 2HB LYS 57 -9.480 2.306 -11.705 407 HB3 LYS 57 1HB LYS 57 -9.231 1.848 -10.027 408 HG2 LYS 57 2HG LYS 57 -11.552 1.383 -9.734 409 HG3 LYS 57 1HG LYS 57 -11.940 2.057 -11.318 410 HD2 LYS 57 2HD LYS 57 -10.012 -0.219 -11.096 411 HD3 LYS 57 1HD LYS 57 -11.745 -0.529 -11.009 412 HE2 LYS 57 2HE LYS 57 -10.927 -0.815 -13.283 413 HE3 LYS 57 1HE LYS 57 -12.049 0.538 -13.190 414 HZ1 LYS 57 3HZ LYS 57 -10.075 0.994 -14.557 415 HZ2 LYS 57 1HZ LYS 57 -9.084 0.808 -13.190 416 HZ3 LYS 57 2HZ LYS 57 -10.222 2.067 -13.258 417 H LEU 58 H LEU 58 -8.771 4.173 -8.158 418 HA LEU 58 HA LEU 58 -10.679 3.394 -6.222 419 HG LEU 58 HG LEU 58 -8.895 2.263 -4.964 420 HB2 LEU 58 2HB LEU 58 -8.119 4.958 -6.080 421 HB3 LEU 58 1HB LEU 58 -9.124 4.748 -4.662 422 HD11 LEU 58 1HD1 LEU 58 -8.288 2.228 -7.328 423 HD12 LEU 58 2HD1 LEU 58 -7.060 1.433 -6.341 424 HD13 LEU 58 3HD1 LEU 58 -6.779 3.063 -6.959 425 HD21 LEU 58 3HD2 LEU 58 -6.366 3.852 -4.555 426 HD22 LEU 58 1HD2 LEU 58 -6.631 2.187 -4.038 427 HD23 LEU 58 2HD2 LEU 58 -7.581 3.493 -3.330 428 H CYS 59 H CYS 59 -9.879 6.493 -7.682 429 HA CYS 59 HA CYS 59 -11.746 7.854 -5.874 430 HG CYS 59 HG CYS 59 -10.975 11.366 -7.497 431 HB2 CYS 59 2HB CYS 59 -9.423 8.768 -6.195 432 HB3 CYS 59 1HB CYS 59 -9.839 9.083 -7.875 433 H GLY 60 H GLY 60 -11.111 7.178 -9.267 434 HA2 GLY 60 2HA GLY 60 -12.904 6.837 -10.817 435 HA3 GLY 60 1HA GLY 60 -13.890 7.940 -9.870 436 H ALA 61 H ALA 61 -10.754 9.096 -10.248 437 HA ALA 61 HA ALA 61 -11.726 11.122 -12.103 438 HB1 ALA 61 3HB ALA 61 -9.734 12.383 -11.476 439 HB2 ALA 61 1HB ALA 61 -9.165 11.017 -10.517 440 HB3 ALA 61 2HB ALA 61 -10.635 11.869 -10.048 441 H SER 62 H SER 62 -10.355 11.859 -13.863 442 HA SER 62 HA SER 62 -8.247 10.182 -14.829 443 HG SER 62 HG SER 62 -11.569 10.650 -15.460 444 HB2 SER 62 2HB SER 62 -9.463 9.611 -16.985 445 HB3 SER 62 1HB SER 62 -9.990 8.729 -15.552 446 H VAL 63 H VAL 63 -7.041 11.151 -16.426 447 HA VAL 63 HA VAL 63 -7.950 13.630 -17.661 448 HB VAL 63 HB VAL 63 -6.853 13.997 -15.292 449 HG11 VAL 63 1HG1 VAL 63 -4.430 14.318 -15.365 450 HG12 VAL 63 2HG1 VAL 63 -4.399 13.650 -16.998 451 HG13 VAL 63 3HG1 VAL 63 -4.889 12.637 -15.639 452 HG21 VAL 63 3HG2 VAL 63 -5.918 16.140 -16.006 453 HG22 VAL 63 1HG2 VAL 63 -7.476 15.812 -16.767 454 HG23 VAL 63 2HG2 VAL 63 -5.986 15.604 -17.684 455 HA PRO 64 HA PRO 64 -5.347 12.331 -21.150 456 HB2 PRO 64 1HB PRO 64 -4.987 14.280 -22.229 457 HB3 PRO 64 2HB PRO 64 -3.705 14.689 -21.088 458 HG2 PRO 64 2HG PRO 64 -5.075 16.012 -19.843 459 HG3 PRO 64 1HG PRO 64 -6.118 16.015 -21.275 460 HD2 PRO 64 2HD PRO 64 -6.985 15.149 -18.881 461 HD3 PRO 64 1HD PRO 64 -7.532 14.402 -20.399 462 H TRP 65 H TRP 65 -3.647 11.016 -21.120 463 HA TRP 65 HA TRP 65 -2.328 10.470 -18.713 464 HD1 TRP 65 HD TRP 65 -2.812 10.503 -22.956 465 HE1 TRP 65 1HE TRP 65 -1.137 10.378 -24.910 466 HE3 TRP 65 3HE TRP 65 1.038 8.131 -20.562 467 HZ2 TRP 65 2HZ TRP 65 1.469 9.397 -25.364 468 HZ3 TRP 65 3HZ TRP 65 3.084 7.630 -21.833 469 HH2 TRP 65 HH TRP 65 3.292 8.250 -24.184 470 HB2 TRP 65 2HB TRP 65 -1.187 8.739 -19.884 471 HB3 TRP 65 1HB TRP 65 -2.799 8.851 -20.581 472 H LEU 66 H LEU 66 -1.466 12.638 -21.248 473 HA LEU 66 HA LEU 66 1.348 12.657 -20.484 474 HG LEU 66 HG LEU 66 2.324 14.982 -22.172 475 HB2 LEU 66 2HB LEU 66 0.503 12.676 -22.887 476 HB3 LEU 66 1HB LEU 66 0.002 14.331 -22.597 477 HD11 LEU 66 1HD1 LEU 66 4.145 13.411 -22.555 478 HD12 LEU 66 2HD1 LEU 66 2.983 12.112 -22.826 479 HD13 LEU 66 3HD1 LEU 66 3.113 12.863 -21.236 480 HD21 LEU 66 3HD2 LEU 66 3.165 14.706 -24.438 481 HD22 LEU 66 1HD2 LEU 66 1.442 15.072 -24.453 482 HD23 LEU 66 2HD2 LEU 66 1.995 13.419 -24.729 483 H GLN 67 H GLN 67 -0.591 13.554 -18.587 484 HA GLN 67 HA GLN 67 0.572 16.109 -17.932 485 HB2 GLN 67 2HB GLN 67 -1.329 16.756 -19.381 486 HB3 GLN 67 1HB GLN 67 -2.420 15.875 -18.325 487 HG2 GLN 67 2HG GLN 67 -1.924 17.385 -16.500 488 HG3 GLN 67 1HG GLN 67 -0.755 18.243 -17.503 489 HE21 GLN 67 2HE2 GLN 67 -4.523 18.567 -18.992 490 HE22 GLN 67 1HE2 GLN 67 -3.779 17.027 -18.723 491 H THR 68 H THR 68 0.804 16.249 -15.777 492 HA THR 68 HA THR 68 0.124 14.063 -14.123 493 HB THR 68 HB THR 68 1.058 16.818 -13.292 494 HG1 THR 68 1HG THR 68 2.528 14.453 -13.964 495 HG21 THR 68 3HG2 THR 68 1.200 14.139 -11.899 496 HG22 THR 68 1HG2 THR 68 0.221 15.523 -11.411 497 HG23 THR 68 2HG2 THR 68 1.980 15.616 -11.335 498 H GLY 69 H GLY 69 -1.031 17.445 -14.123 499 HA2 GLY 69 2HA GLY 69 -3.041 18.359 -13.498 500 HA3 GLY 69 1HA GLY 69 -3.734 16.812 -13.946 501 H ASP 70 H ASP 70 -1.886 18.282 -11.267 502 HA ASP 70 HA ASP 70 -2.142 18.194 -9.007 503 HB2 ASP 70 2HB ASP 70 -4.973 17.481 -9.793 504 HB3 ASP 70 1HB ASP 70 -4.467 17.778 -8.134 505 H GLU 71 H GLU 71 -1.393 15.775 -10.544 506 HA GLU 71 HA GLU 71 -0.965 13.562 -10.265 507 HB2 GLU 71 2HB GLU 71 -0.166 14.517 -8.023 508 HB3 GLU 71 1HB GLU 71 -1.684 13.935 -7.358 509 HG2 GLU 71 2HG GLU 71 -1.077 11.649 -8.085 510 HG3 GLU 71 1HG GLU 71 0.482 12.271 -8.623 511 H ILE 72 H ILE 72 -3.340 14.162 -11.261 512 HA ILE 72 HA ILE 72 -5.305 13.316 -11.888 513 HB ILE 72 HB ILE 72 -4.005 11.086 -11.487 514 HG12 ILE 72 2HG1 ILE 72 -6.003 9.821 -12.163 515 HG13 ILE 72 1HG1 ILE 72 -7.022 11.163 -11.654 516 HG21 ILE 72 1HG2 ILE 72 -5.047 9.578 -9.899 517 HG22 ILE 72 2HG2 ILE 72 -6.126 10.862 -9.358 518 HG23 ILE 72 3HG2 ILE 72 -4.392 10.984 -9.058 519 HD11 ILE 72 3HD1 ILE 72 -6.729 11.125 -14.063 520 HD12 ILE 72 1HD1 ILE 72 -4.983 11.255 -13.860 521 HD13 ILE 72 2HD1 ILE 72 -6.029 12.581 -13.354 522 H LYS 73 H LYS 73 -4.769 14.342 -8.858 523 HA LYS 73 HA LYS 73 -6.062 15.188 -7.202 524 HB2 LYS 73 2HB LYS 73 -7.424 16.136 -9.010 525 HB3 LYS 73 1HB LYS 73 -8.354 14.650 -9.103 526 HG2 LYS 73 2HG LYS 73 -9.551 16.416 -7.918 527 HG3 LYS 73 1HG LYS 73 -9.235 15.028 -6.879 528 HD2 LYS 73 2HD LYS 73 -8.832 17.095 -5.673 529 HD3 LYS 73 1HD LYS 73 -7.320 16.218 -5.899 530 HE2 LYS 73 2HE LYS 73 -6.941 18.560 -6.310 531 HE3 LYS 73 1HE LYS 73 -6.814 17.684 -7.833 532 HZ1 LYS 73 3HZ LYS 73 -8.086 19.805 -7.931 533 HZ2 LYS 73 1HZ LYS 73 -9.277 19.094 -6.954 534 HZ3 LYS 73 2HZ LYS 73 -8.942 18.456 -8.493 535 H HIS 74 H HIS 74 -7.088 14.456 -5.332 536 HA HIS 74 HA HIS 74 -7.907 11.630 -5.374 537 HD1 HIS 74 1HD HIS 74 -3.775 13.000 -3.589 538 HD2 HIS 74 2HD HIS 74 -5.647 10.463 -6.305 539 HE1 HIS 74 1HE HIS 74 -1.987 12.295 -5.204 540 HE2 HIS 74 2HE HIS 74 -3.209 11.005 -6.982 541 HB2 HIS 74 2HB HIS 74 -6.203 12.863 -3.199 542 HB3 HIS 74 1HB HIS 74 -6.654 11.171 -3.366 543 H ALA 75 H ALA 75 -9.520 11.057 -3.924 544 HA ALA 75 HA ALA 75 -11.020 13.274 -2.794 545 HB1 ALA 75 3HB ALA 75 -12.799 11.650 -2.452 546 HB2 ALA 75 1HB ALA 75 -11.719 10.341 -2.935 547 HB3 ALA 75 2HB ALA 75 -12.205 11.564 -4.110 548 H ASP 76 H ASP 76 -11.932 13.028 -0.615 549 HA ASP 76 HA ASP 76 -9.904 12.653 1.329 550 HB2 ASP 76 2HB ASP 76 -11.800 14.250 1.544 551 HB3 ASP 76 1HB ASP 76 -12.900 12.889 1.714 552 H ASP 77 H ASP 77 -12.467 10.673 0.094 553 HA ASP 77 HA ASP 77 -12.435 8.699 2.160 554 HB2 ASP 77 2HB ASP 77 -14.413 9.186 0.754 555 HB3 ASP 77 1HB ASP 77 -13.556 8.563 -0.649 556 H CYS 78 H CYS 78 -10.270 9.361 -0.305 557 HA CYS 78 HA CYS 78 -9.678 6.637 -1.063 558 HG CYS 78 HG CYS 78 -11.017 8.098 -2.909 559 HB2 CYS 78 2HB CYS 78 -8.254 9.230 -1.691 560 HB3 CYS 78 1HB CYS 78 -7.841 7.662 -2.378 561 HA PRO 79 HA PRO 79 -7.021 5.933 2.454 562 HB2 PRO 79 1HB PRO 79 -6.876 3.656 2.482 563 HB3 PRO 79 2HB PRO 79 -6.171 3.594 0.863 564 HG2 PRO 79 2HG PRO 79 -8.289 2.778 0.393 565 HG3 PRO 79 1HG PRO 79 -9.048 3.741 1.675 566 HD2 PRO 79 2HD PRO 79 -8.147 4.587 -1.053 567 HD3 PRO 79 1HD PRO 79 -9.625 5.026 -0.169 568 H VAL 80 H VAL 80 -6.083 6.320 -0.829 569 HA VAL 80 HA VAL 80 -3.310 5.993 -0.632 570 HB VAL 80 HB VAL 80 -3.146 7.405 -2.642 571 HG11 VAL 80 1HG1 VAL 80 -4.508 5.991 -4.118 572 HG12 VAL 80 2HG1 VAL 80 -5.381 5.385 -2.710 573 HG13 VAL 80 3HG1 VAL 80 -3.659 5.050 -2.890 574 HG21 VAL 80 3HG2 VAL 80 -6.113 7.813 -2.282 575 HG22 VAL 80 1HG2 VAL 80 -5.168 8.307 -3.688 576 HG23 VAL 80 2HG2 VAL 80 -4.867 9.051 -2.116 577 H VAL 81 H VAL 81 -5.403 8.649 0.288 578 HA VAL 81 HA VAL 81 -3.421 10.654 0.514 579 HB VAL 81 HB VAL 81 -5.974 10.371 2.116 580 HG11 VAL 81 1HG1 VAL 81 -4.438 11.959 3.123 581 HG12 VAL 81 2HG1 VAL 81 -5.817 12.799 2.414 582 HG13 VAL 81 3HG1 VAL 81 -4.261 12.796 1.581 583 HG21 VAL 81 3HG2 VAL 81 -6.966 11.868 0.434 584 HG22 VAL 81 1HG2 VAL 81 -6.441 10.335 -0.263 585 HG23 VAL 81 2HG2 VAL 81 -5.472 11.790 -0.499 586 H ILE 82 H ILE 82 -4.508 8.082 2.630 587 HA ILE 82 HA ILE 82 -3.073 8.918 4.945 588 HB ILE 82 HB ILE 82 -4.030 6.143 4.198 589 HG12 ILE 82 2HG1 ILE 82 -5.840 7.832 4.316 590 HG13 ILE 82 1HG1 ILE 82 -5.975 6.624 5.588 591 HG21 ILE 82 1HG2 ILE 82 -3.860 5.668 6.609 592 HG22 ILE 82 2HG2 ILE 82 -3.154 7.264 6.862 593 HG23 ILE 82 3HG2 ILE 82 -2.294 6.064 5.898 594 HD11 ILE 82 3HD1 ILE 82 -4.993 8.204 7.177 595 HD12 ILE 82 1HD1 ILE 82 -6.463 8.837 6.436 596 HD13 ILE 82 2HD1 ILE 82 -4.885 9.412 5.895 597 H ALA 83 H ALA 83 -2.464 6.499 2.422 598 HA ALA 83 HA ALA 83 0.009 5.569 3.313 599 HB1 ALA 83 3HB ALA 83 -0.923 5.810 0.453 600 HB2 ALA 83 1HB ALA 83 -1.324 4.488 1.550 601 HB3 ALA 83 2HB ALA 83 0.349 4.746 1.057 602 H LYS 84 H LYS 84 -0.772 8.287 1.185 603 HA LYS 84 HA LYS 84 1.842 9.003 0.480 604 HB2 LYS 84 2HB LYS 84 -0.700 10.001 -0.022 605 HB3 LYS 84 1HB LYS 84 0.086 11.299 0.867 606 HG2 LYS 84 2HG LYS 84 0.440 11.665 -1.462 607 HG3 LYS 84 1HG LYS 84 1.976 11.176 -0.743 608 HD2 LYS 84 2HD LYS 84 1.439 8.823 -1.467 609 HD3 LYS 84 1HD LYS 84 0.093 9.495 -2.382 610 HE2 LYS 84 2HE LYS 84 3.020 10.121 -2.748 611 HE3 LYS 84 1HE LYS 84 2.010 9.162 -3.825 612 HZ1 LYS 84 3HZ LYS 84 0.712 11.118 -4.335 613 HZ2 LYS 84 1HZ LYS 84 2.348 11.422 -4.629 614 HZ3 LYS 84 2HZ LYS 84 1.618 12.049 -3.242 615 H GLN 85 H GLN 85 -0.193 10.099 3.163 616 HA GLN 85 HA GLN 85 1.569 11.907 4.324 617 HB2 GLN 85 2HB GLN 85 -0.609 10.173 5.452 618 HB3 GLN 85 1HB GLN 85 0.305 11.276 6.460 619 HG2 GLN 85 2HG GLN 85 -0.465 13.164 5.189 620 HG3 GLN 85 1HG GLN 85 -1.261 12.098 4.031 621 HE21 GLN 85 2HE2 GLN 85 -4.095 11.551 5.963 622 HE22 GLN 85 1HE2 GLN 85 -3.160 11.094 4.580 623 H ILE 86 H ILE 86 1.224 8.418 4.855 624 HA ILE 86 HA ILE 86 3.000 8.194 7.014 625 HB ILE 86 HB ILE 86 2.324 6.118 4.922 626 HG12 ILE 86 2HG1 ILE 86 1.142 6.612 7.667 627 HG13 ILE 86 1HG1 ILE 86 0.370 7.042 6.141 628 HG21 ILE 86 1HG2 ILE 86 3.532 5.799 7.673 629 HG22 ILE 86 2HG2 ILE 86 4.351 5.528 6.134 630 HG23 ILE 86 3HG2 ILE 86 3.017 4.483 6.620 631 HD11 ILE 86 3HD1 ILE 86 -0.551 4.992 7.055 632 HD12 ILE 86 1HD1 ILE 86 1.051 4.253 7.065 633 HD13 ILE 86 2HD1 ILE 86 0.282 4.678 5.534 634 H LEU 87 H LEU 87 3.583 7.983 3.520 635 HA LEU 87 HA LEU 87 6.344 7.273 3.928 636 HG LEU 87 HG LEU 87 3.772 8.502 1.552 637 HB2 LEU 87 2HB LEU 87 6.528 7.330 1.492 638 HB3 LEU 87 1HB LEU 87 5.186 6.347 2.032 639 HD11 LEU 87 1HD1 LEU 87 5.651 9.980 1.097 640 HD12 LEU 87 2HD1 LEU 87 4.627 9.801 -0.328 641 HD13 LEU 87 3HD1 LEU 87 6.163 8.939 -0.232 642 HD21 LEU 87 3HD2 LEU 87 4.884 6.756 -0.642 643 HD22 LEU 87 1HD2 LEU 87 3.402 7.710 -0.729 644 HD23 LEU 87 2HD2 LEU 87 3.522 6.369 0.408 645 H SER 88 H SER 88 4.704 10.127 4.152 646 HA SER 88 HA SER 88 6.908 11.752 3.127 647 HG SER 88 HG SER 88 3.972 11.438 2.038 648 HB2 SER 88 2HB SER 88 4.101 12.526 3.933 649 HB3 SER 88 1HB SER 88 5.306 13.607 3.247 650 H SER 89 H SER 89 6.950 10.277 5.739 651 HA SER 89 HA SER 89 6.759 12.006 7.909 652 HG SER 89 HG SER 89 7.892 10.958 9.869 653 HB2 SER 89 2HB SER 89 7.292 9.599 8.137 654 HB3 SER 89 1HB SER 89 8.880 9.886 7.427 655 H ARG 90 H ARG 90 9.365 11.577 5.572 656 HA ARG 90 HA ARG 90 10.610 14.062 6.474 657 HE ARG 90 HE ARG 90 13.728 10.221 7.522 658 HB2 ARG 90 2HB ARG 90 11.443 12.152 4.273 659 HB3 ARG 90 1HB ARG 90 12.377 13.523 4.855 660 HG2 ARG 90 2HG ARG 90 12.638 12.476 7.018 661 HG3 ARG 90 1HG ARG 90 11.608 11.135 6.523 662 HD2 ARG 90 2HD ARG 90 13.263 10.613 4.732 663 HD3 ARG 90 1HD ARG 90 14.317 11.855 5.412 664 HH11 ARG 90 1HH1 ARG 90 15.187 9.741 4.360 665 HH12 ARG 90 2HH1 ARG 90 16.102 8.357 4.873 666 HH21 ARG 90 2HH2 ARG 90 15.978 7.624 7.037 667 HH22 ARG 90 1HH2 ARG 90 14.924 8.415 8.174 668 HA PRO 91 HA PRO 91 7.766 16.314 4.018 669 HB2 PRO 91 1HB PRO 91 8.409 18.343 4.759 670 HB3 PRO 91 2HB PRO 91 9.537 18.419 3.405 671 HG2 PRO 91 2HG PRO 91 11.320 17.741 4.678 672 HG3 PRO 91 1HG PRO 91 10.347 18.431 5.991 673 HD2 PRO 91 2HD PRO 91 11.194 15.895 6.075 674 HD3 PRO 91 1HD PRO 91 9.586 16.348 6.685 675 H LYS 92 H LYS 92 7.265 15.522 2.095 676 HA LYS 92 HA LYS 92 8.976 14.800 0.024 677 HB2 LYS 92 2HB LYS 92 6.600 14.138 0.139 678 HB3 LYS 92 1HB LYS 92 6.126 15.803 -0.174 679 HG2 LYS 92 2HG LYS 92 7.536 15.540 -2.330 680 HG3 LYS 92 1HG LYS 92 7.364 13.810 -2.022 681 HD2 LYS 92 2HD LYS 92 4.933 14.047 -2.006 682 HD3 LYS 92 1HD LYS 92 5.097 15.783 -2.286 683 HE2 LYS 92 2HE LYS 92 6.317 15.225 -4.406 684 HE3 LYS 92 1HE LYS 92 5.876 13.538 -4.141 685 HZ1 LYS 92 3HZ LYS 92 3.525 14.240 -4.148 686 HZ2 LYS 92 1HZ LYS 92 4.310 14.547 -5.622 687 HZ3 LYS 92 2HZ LYS 92 4.016 15.816 -4.538 688 H LEU 93 H LEU 93 9.825 15.867 -1.710 689 HA LEU 93 HA LEU 93 10.566 18.499 -1.545 690 HG LEU 93 HG LEU 93 11.833 15.881 -2.495 691 HB2 LEU 93 2HB LEU 93 10.157 16.846 -4.033 692 HB3 LEU 93 1HB LEU 93 11.015 18.374 -3.990 693 HD11 LEU 93 1HD1 LEU 93 12.982 17.163 -4.970 694 HD12 LEU 93 2HD1 LEU 93 12.128 15.621 -4.891 695 HD13 LEU 93 3HD1 LEU 93 13.689 15.806 -4.093 696 HD21 LEU 93 3HD2 LEU 93 13.255 18.519 -2.837 697 HD22 LEU 93 1HD2 LEU 93 13.874 17.101 -1.991 698 HD23 LEU 93 2HD2 LEU 93 12.470 17.963 -1.359 699 H HIS 94 H HIS 94 9.291 20.178 -1.305 700 HA HIS 94 HA HIS 94 7.247 20.650 -3.353 701 HD1 HIS 94 1HD HIS 94 6.077 23.306 0.018 702 HD2 HIS 94 2HD HIS 94 7.757 19.636 1.027 703 HE1 HIS 94 1HE HIS 94 6.825 23.537 2.399 704 HE2 HIS 94 2HE HIS 94 7.606 21.237 3.062 705 HB2 HIS 94 2HB HIS 94 5.663 21.511 -1.725 706 HB3 HIS 94 1HB HIS 94 6.088 19.858 -1.310 707 H ALA 95 H ALA 95 7.452 22.562 -4.283 708 HA ALA 95 HA ALA 95 9.264 24.522 -3.138 709 HB1 ALA 95 3HB ALA 95 8.985 25.729 -5.237 710 HB2 ALA 95 1HB ALA 95 7.718 24.605 -5.732 711 HB3 ALA 95 2HB ALA 95 9.376 24.037 -5.550 712 H VAL 96 H VAL 96 8.319 25.502 -1.442 713 HA VAL 96 HA VAL 96 6.923 26.800 -0.228 714 HB VAL 96 HB VAL 96 5.585 27.493 -2.852 715 HG11 VAL 96 1HG1 VAL 96 4.202 28.030 -0.916 716 HG12 VAL 96 2HG1 VAL 96 4.821 29.501 -1.664 717 HG13 VAL 96 3HG1 VAL 96 5.550 28.896 -0.178 718 HG21 VAL 96 3HG2 VAL 96 6.990 29.503 -2.807 719 HG22 VAL 96 1HG2 VAL 96 7.957 28.034 -2.914 720 HG23 VAL 96 2HG2 VAL 96 7.819 28.888 -1.377 721 HA MET 1 HA MET 1 -29.665 22.196 -6.665 722 H1 MET 1 1H MET 1 -31.058 24.138 -6.416 723 H2 MET 1 2H MET 1 -31.206 23.470 -7.964 724 H3 MET 1 3H MET 1 -30.293 24.883 -7.731 725 HB2 MET 1 2HB MET 1 -28.354 23.859 -8.823 726 HB3 MET 1 1HB MET 1 -27.654 22.401 -8.136 727 HG2 MET 1 2HG MET 1 -29.657 21.150 -8.914 728 HG3 MET 1 1HG MET 1 -30.193 22.617 -9.731 729 HE1 MET 1 3HE MET 1 -27.320 23.157 -12.354 730 HE2 MET 1 1HE MET 1 -27.384 23.822 -10.721 731 HE3 MET 1 2HE MET 1 -28.842 23.777 -11.713 732 H GLY 2 H GLY 2 -28.336 22.145 -4.989 733 HA2 GLY 2 2HA GLY 2 -26.602 24.460 -4.470 734 HA3 GLY 2 1HA GLY 2 -27.702 23.935 -3.202 735 H SER 3 H SER 3 -24.757 23.333 -4.857 736 HA SER 3 HA SER 3 -24.367 20.652 -3.936 737 HG SER 3 HG SER 3 -23.986 20.774 -6.359 738 HB2 SER 3 2HB SER 3 -22.309 22.612 -4.976 739 HB3 SER 3 1HB SER 3 -22.160 20.856 -4.912 740 H SER 4 H SER 4 -23.147 19.908 -2.243 741 HA SER 4 HA SER 4 -22.707 21.766 -0.074 742 HG SER 4 HG SER 4 -23.230 18.122 -0.834 743 HB2 SER 4 2HB SER 4 -22.072 19.647 1.164 744 HB3 SER 4 1HB SER 4 -23.714 19.675 0.523 745 H HIS 5 H HIS 5 -20.709 22.125 0.954 746 HA HIS 5 HA HIS 5 -18.337 21.255 -0.554 747 HD1 HIS 5 1HD HIS 5 -16.456 24.495 -1.818 748 HD2 HIS 5 2HD HIS 5 -20.360 23.138 -2.323 749 HE1 HIS 5 1HE HIS 5 -16.990 24.848 -4.252 750 HE2 HIS 5 2HE HIS 5 -19.365 24.054 -4.537 751 HB2 HIS 5 2HB HIS 5 -19.051 24.009 0.407 752 HB3 HIS 5 1HB HIS 5 -17.361 23.540 0.265 753 H HIS 6 H HIS 6 -17.138 19.998 0.655 754 HA HIS 6 HA HIS 6 -17.313 20.221 3.572 755 HD1 HIS 6 1HD HIS 6 -15.015 16.272 3.514 756 HD2 HIS 6 2HD HIS 6 -17.792 18.716 5.422 757 HE1 HIS 6 1HE HIS 6 -15.062 15.512 5.915 758 HE2 HIS 6 2HE HIS 6 -16.695 17.051 7.068 759 HB2 HIS 6 2HB HIS 6 -17.608 18.018 2.277 760 HB3 HIS 6 1HB HIS 6 -15.867 18.071 2.025 761 H HIS 7 H HIS 7 -15.868 21.493 4.517 762 HA HIS 7 HA HIS 7 -13.475 22.266 3.051 763 HD1 HIS 7 1HD HIS 7 -15.767 25.644 5.330 764 HD2 HIS 7 2HD HIS 7 -14.467 23.946 1.757 765 HE1 HIS 7 1HE HIS 7 -16.744 27.069 3.504 766 HE2 HIS 7 2HE HIS 7 -15.989 26.010 1.348 767 HB2 HIS 7 2HB HIS 7 -14.729 23.301 5.591 768 HB3 HIS 7 1HB HIS 7 -13.192 23.889 4.972 769 H HIS 8 H HIS 8 -11.401 22.075 3.728 770 HA HIS 8 HA HIS 8 -10.895 20.501 6.170 771 HD1 HIS 8 1HD HIS 8 -11.131 19.414 2.280 772 HD2 HIS 8 2HD HIS 8 -9.657 17.393 5.607 773 HE1 HIS 8 1HE HIS 8 -11.912 17.038 2.034 774 HE2 HIS 8 2HE HIS 8 -10.847 15.791 3.953 775 HB2 HIS 8 2HB HIS 8 -9.289 20.694 3.608 776 HB3 HIS 8 1HB HIS 8 -8.682 19.948 5.082 777 H HIS 9 H HIS 9 -9.479 21.366 7.666 778 HA HIS 9 HA HIS 9 -7.750 23.540 6.965 779 HD1 HIS 9 1HD HIS 9 -9.568 24.984 10.886 780 HD2 HIS 9 2HD HIS 9 -12.001 23.161 8.045 781 HE1 HIS 9 1HE HIS 9 -11.690 24.377 12.092 782 HE2 HIS 9 2HE HIS 9 -13.230 23.536 10.290 783 HB2 HIS 9 2HB HIS 9 -8.656 25.180 8.579 784 HB3 HIS 9 1HB HIS 9 -9.759 24.856 7.253 785 H HIS 10 H HIS 10 -6.882 24.504 9.233 786 HA HIS 10 HA HIS 10 -5.570 24.106 11.040 787 HD1 HIS 10 1HD HIS 10 -8.895 22.216 13.191 788 HD2 HIS 10 2HD HIS 10 -5.349 24.389 13.418 789 HE1 HIS 10 1HE HIS 10 -9.124 23.684 15.218 790 HE2 HIS 10 2HE HIS 10 -6.899 24.853 15.439 791 HB2 HIS 10 2HB HIS 10 -7.396 21.799 11.243 792 HB3 HIS 10 1HB HIS 10 -5.810 21.553 11.964 793 H SER 11 H SER 11 -3.536 24.049 10.503 794 HA SER 11 HA SER 11 -2.357 21.560 9.561 795 HG SER 11 HG SER 11 -3.806 22.138 7.794 796 HB2 SER 11 2HB SER 11 -2.050 24.157 8.030 797 HB3 SER 11 1HB SER 11 -1.187 22.658 7.690 798 H SER 12 H SER 12 -1.206 21.427 11.462 799 HA SER 12 HA SER 12 0.707 23.585 12.012 800 HG SER 12 HG SER 12 -1.065 22.851 14.988 801 HB2 SER 12 2HB SER 12 0.003 21.177 13.709 802 HB3 SER 12 1HB SER 12 1.007 22.542 14.194 803 H GLY 13 H GLY 13 0.374 20.239 11.104 804 HA2 GLY 13 2HA GLY 13 1.933 19.131 9.716 805 HA3 GLY 13 1HA GLY 13 3.178 20.241 10.272 806 H ARG 14 H ARG 14 4.150 17.947 10.301 807 HA ARG 14 HA ARG 14 5.243 16.416 11.541 808 HE ARG 14 HE ARG 14 7.601 20.380 13.964 809 HB2 ARG 14 2HB ARG 14 4.018 17.888 13.864 810 HB3 ARG 14 1HB ARG 14 5.135 16.543 14.047 811 HG2 ARG 14 2HG ARG 14 6.810 17.845 12.750 812 HG3 ARG 14 1HG ARG 14 5.690 19.211 12.772 813 HD2 ARG 14 2HD ARG 14 5.727 19.209 15.206 814 HD3 ARG 14 1HD ARG 14 6.815 17.822 15.199 815 HH11 ARG 14 1HH1 ARG 14 8.203 17.721 16.179 816 HH12 ARG 14 2HH1 ARG 14 9.750 18.327 16.685 817 HH21 ARG 14 2HH2 ARG 14 10.575 20.291 15.797 818 HH22 ARG 14 1HH2 ARG 14 9.634 21.176 14.627 819 H GLU 15 H GLU 15 4.665 14.436 11.295 820 HA GLU 15 HA GLU 15 2.126 13.497 12.411 821 HB2 GLU 15 2HB GLU 15 2.622 11.394 11.157 822 HB3 GLU 15 1HB GLU 15 2.472 12.805 10.126 823 HG2 GLU 15 2HG GLU 15 5.096 11.639 11.030 824 HG3 GLU 15 1HG GLU 15 4.309 11.254 9.502 825 H ASN 16 H ASN 16 5.293 13.871 13.214 826 HA ASN 16 HA ASN 16 6.598 13.215 14.944 827 HB2 ASN 16 2HB ASN 16 3.929 12.224 15.948 828 HB3 ASN 16 1HB ASN 16 5.406 12.057 16.891 829 HD21 ASN 16 2HD2 ASN 16 3.510 15.617 16.604 830 HD22 ASN 16 1HD2 ASN 16 2.993 14.237 15.692 831 H LEU 17 H LEU 17 6.735 10.925 16.478 832 HA LEU 17 HA LEU 17 7.410 8.918 14.509 833 HG LEU 17 HG LEU 17 9.139 10.509 16.669 834 HB2 LEU 17 2HB LEU 17 7.590 8.820 17.525 835 HB3 LEU 17 1HB LEU 17 8.257 7.630 16.422 836 HD11 LEU 17 1HD1 LEU 17 11.222 9.540 17.519 837 HD12 LEU 17 2HD1 LEU 17 10.498 7.934 17.449 838 HD13 LEU 17 3HD1 LEU 17 9.846 9.147 18.551 839 HD21 LEU 17 3HD2 LEU 17 10.932 9.869 15.117 840 HD22 LEU 17 1HD2 LEU 17 9.336 9.740 14.374 841 HD23 LEU 17 2HD2 LEU 17 10.178 8.288 14.914 842 H TYR 18 H TYR 18 5.335 8.518 13.694 843 HA TYR 18 HA TYR 18 3.114 7.894 15.277 844 HD1 TYR 18 2HD TYR 18 4.817 9.464 12.213 845 HD2 TYR 18 1HD TYR 18 3.242 5.602 11.380 846 HE1 TYR 18 2HE TYR 18 6.265 9.308 10.237 847 HE2 TYR 18 1HE TYR 18 4.690 5.440 9.398 848 HH TYR 18 HH TYR 18 5.849 7.148 7.803 849 HB2 TYR 18 2HB TYR 18 2.248 6.914 13.051 850 HB3 TYR 18 1HB TYR 18 2.573 8.637 13.149 851 H PHE 19 H PHE 19 5.675 5.852 14.019 852 HA PHE 19 HA PHE 19 4.333 3.405 14.647 853 HD1 PHE 19 2HD PHE 19 4.548 1.705 13.038 854 HD2 PHE 19 1HD PHE 19 7.545 4.506 11.910 855 HE1 PHE 19 2HE PHE 19 4.023 1.305 10.671 856 HE2 PHE 19 1HE PHE 19 7.020 4.114 9.538 857 HZ PHE 19 HZ PHE 19 5.258 2.511 8.916 858 HB2 PHE 19 2HB PHE 19 7.234 4.056 14.130 859 HB3 PHE 19 1HB PHE 19 6.682 2.431 14.524 860 H GLN 20 H GLN 20 5.083 1.899 16.329 861 HA GLN 20 HA GLN 20 5.653 1.284 18.437 862 HB2 GLN 20 2HB GLN 20 7.741 2.394 18.354 863 HB3 GLN 20 1HB GLN 20 6.996 3.981 18.452 864 HG2 GLN 20 2HG GLN 20 8.116 3.354 20.526 865 HG3 GLN 20 1HG GLN 20 6.387 3.598 20.753 866 HE21 GLN 20 2HE2 GLN 20 6.511 0.656 22.611 867 HE22 GLN 20 1HE2 GLN 20 6.364 2.385 22.619 868 H GLY 21 H GLY 21 4.371 4.595 18.220 869 HA2 GLY 21 2HA GLY 21 2.776 4.074 20.629 870 HA3 GLY 21 1HA GLY 21 3.019 5.645 19.876 871 H MET 22 H MET 22 1.882 2.499 18.666 872 HA MET 22 HA MET 22 -0.451 3.908 17.552 873 HB2 MET 22 2HB MET 22 1.172 1.608 16.532 874 HB3 MET 22 1HB MET 22 -0.511 1.769 16.054 875 HG2 MET 22 2HG MET 22 1.643 3.823 15.627 876 HG3 MET 22 1HG MET 22 0.996 2.728 14.407 877 HE1 MET 22 3HE MET 22 -0.496 6.111 13.201 878 HE2 MET 22 1HE MET 22 0.382 4.652 12.741 879 HE3 MET 22 2HE MET 22 1.113 5.807 13.855 880 H THR 23 H THR 23 -2.388 2.675 17.324 881 HA THR 23 HA THR 23 -2.804 0.901 19.624 882 HB THR 23 HB THR 23 -5.054 2.067 18.022 883 HG1 THR 23 1HG THR 23 -3.234 3.474 19.664 884 HG21 THR 23 3HG2 THR 23 -6.072 2.196 20.278 885 HG22 THR 23 1HG2 THR 23 -4.595 1.508 20.951 886 HG23 THR 23 2HG2 THR 23 -5.583 0.559 19.839 887 H ASP 24 H ASP 24 -4.608 -0.788 19.142 888 HA ASP 24 HA ASP 24 -3.738 -2.587 17.199 889 HB2 ASP 24 2HB ASP 24 -6.510 -2.417 18.403 890 HB3 ASP 24 1HB ASP 24 -5.770 -3.841 17.680 891 H THR 25 H THR 25 -5.904 0.086 16.956 892 HA THR 25 HA THR 25 -7.295 -0.719 14.617 893 HB THR 25 HB THR 25 -6.879 2.127 15.507 894 HG1 THR 25 1HG THR 25 -8.440 0.048 16.657 895 HG21 THR 25 3HG2 THR 25 -9.243 0.712 14.260 896 HG22 THR 25 1HG2 THR 25 -8.107 1.753 13.399 897 HG23 THR 25 2HG2 THR 25 -9.146 2.428 14.652 898 H ALA 26 H ALA 26 -4.108 0.409 15.096 899 HA ALA 26 HA ALA 26 -3.671 1.912 12.763 900 HB1 ALA 26 3HB ALA 26 -1.717 0.104 14.183 901 HB2 ALA 26 1HB ALA 26 -2.056 1.781 14.610 902 HB3 ALA 26 2HB ALA 26 -1.314 1.399 13.056 903 H ALA 27 H ALA 27 -3.652 -1.550 13.360 904 HA ALA 27 HA ALA 27 -2.683 -2.350 10.827 905 HB1 ALA 27 3HB ALA 27 -4.443 -3.851 12.764 906 HB2 ALA 27 1HB ALA 27 -2.680 -3.841 12.753 907 HB3 ALA 27 2HB ALA 27 -3.564 -4.558 11.407 908 H GLU 28 H GLU 28 -5.785 -1.377 12.009 909 HA GLU 28 HA GLU 28 -7.326 -2.521 9.888 910 HB2 GLU 28 2HB GLU 28 -8.151 -1.944 12.227 911 HB3 GLU 28 1HB GLU 28 -8.156 -0.265 11.711 912 HG2 GLU 28 2HG GLU 28 -10.368 -1.260 11.559 913 HG3 GLU 28 1HG GLU 28 -9.768 -0.776 9.971 914 H ASP 29 H ASP 29 -5.950 0.663 10.583 915 HA ASP 29 HA ASP 29 -7.143 1.927 8.314 916 HB2 ASP 29 2HB ASP 29 -6.233 3.036 10.462 917 HB3 ASP 29 1HB ASP 29 -4.652 2.910 9.691 918 H VAL 30 H VAL 30 -4.189 0.163 8.906 919 HA VAL 30 HA VAL 30 -2.987 0.718 6.377 920 HB VAL 30 HB VAL 30 -2.545 -1.595 8.281 921 HG11 VAL 30 1HG1 VAL 30 -0.944 -0.755 5.865 922 HG12 VAL 30 2HG1 VAL 30 -1.901 -2.228 6.021 923 HG13 VAL 30 3HG1 VAL 30 -0.472 -1.994 7.029 924 HG21 VAL 30 3HG2 VAL 30 -0.511 -0.381 8.893 925 HG22 VAL 30 1HG2 VAL 30 -1.950 0.589 9.201 926 HG23 VAL 30 2HG2 VAL 30 -0.950 0.921 7.786 927 H ARG 31 H ARG 31 -5.100 -1.841 7.628 928 HA ARG 31 HA ARG 31 -5.238 -3.419 5.307 929 HE ARG 31 HE ARG 31 -9.089 -4.373 8.489 930 HB2 ARG 31 2HB ARG 31 -6.246 -3.809 7.707 931 HB3 ARG 31 1HB ARG 31 -7.656 -2.995 7.041 932 HG2 ARG 31 2HG ARG 31 -7.286 -4.766 5.102 933 HG3 ARG 31 1HG ARG 31 -6.530 -5.662 6.417 934 HD2 ARG 31 2HD ARG 31 -9.362 -4.684 6.208 935 HD3 ARG 31 1HD ARG 31 -8.790 -6.341 6.356 936 HH11 ARG 31 1HH1 ARG 31 -7.843 -7.522 7.551 937 HH12 ARG 31 2HH1 ARG 31 -7.914 -8.166 9.156 938 HH21 ARG 31 2HH2 ARG 31 -8.693 -6.847 10.894 939 HH22 ARG 31 1HH2 ARG 31 -9.193 -5.206 10.585 940 H LYS 32 H LYS 32 -6.903 -0.525 6.307 941 HA LYS 32 HA LYS 32 -8.897 -0.221 4.435 942 HB2 LYS 32 2HB LYS 32 -8.478 1.279 6.344 943 HB3 LYS 32 1HB LYS 32 -7.026 1.876 5.565 944 HG2 LYS 32 2HG LYS 32 -8.514 3.552 5.123 945 HG3 LYS 32 1HG LYS 32 -8.664 2.567 3.664 946 HD2 LYS 32 2HD LYS 32 -10.730 1.747 4.275 947 HD3 LYS 32 1HD LYS 32 -10.459 2.042 5.994 948 HE2 LYS 32 2HE LYS 32 -10.908 4.149 3.885 949 HE3 LYS 32 1HE LYS 32 -12.096 3.609 5.071 950 HZ1 LYS 32 3HZ LYS 32 -10.621 4.405 6.838 951 HZ2 LYS 32 1HZ LYS 32 -11.038 5.664 5.780 952 HZ3 LYS 32 2HZ LYS 32 -9.506 4.945 5.684 953 H ILE 33 H ILE 33 -5.480 0.684 4.145 954 HA ILE 33 HA ILE 33 -5.727 1.681 1.474 955 HB ILE 33 HB ILE 33 -3.201 0.814 2.888 956 HG12 ILE 33 2HG1 ILE 33 -4.483 3.558 2.892 957 HG13 ILE 33 1HG1 ILE 33 -4.543 2.428 4.243 958 HG21 ILE 33 1HG2 ILE 33 -3.690 2.773 0.647 959 HG22 ILE 33 2HG2 ILE 33 -2.937 1.183 0.506 960 HG23 ILE 33 3HG2 ILE 33 -2.133 2.463 1.415 961 HD11 ILE 33 3HD1 ILE 33 -2.067 3.689 3.079 962 HD12 ILE 33 1HD1 ILE 33 -2.094 2.515 4.395 963 HD13 ILE 33 2HD1 ILE 33 -2.840 4.097 4.611 964 H ALA 34 H ALA 34 -4.531 -1.284 2.958 965 HA ALA 34 HA ALA 34 -3.477 -2.466 0.639 966 HB1 ALA 34 3HB ALA 34 -3.343 -4.500 1.940 967 HB2 ALA 34 1HB ALA 34 -4.461 -3.835 3.136 968 HB3 ALA 34 2HB ALA 34 -2.864 -3.119 2.926 969 H THR 35 H THR 35 -6.734 -2.442 1.944 970 HA THR 35 HA THR 35 -7.753 -4.714 0.690 971 HB THR 35 HB THR 35 -9.187 -2.144 1.397 972 HG1 THR 35 1HG THR 35 -8.291 -3.178 3.207 973 HG21 THR 35 3HG2 THR 35 -10.507 -3.436 -0.206 974 HG22 THR 35 1HG2 THR 35 -11.242 -3.493 1.396 975 HG23 THR 35 2HG2 THR 35 -10.328 -4.877 0.795 976 H ALA 36 H ALA 36 -7.114 -1.538 -0.618 977 HA ALA 36 HA ALA 36 -8.760 -1.656 -2.897 978 HB1 ALA 36 3HB ALA 36 -7.330 0.108 -3.790 979 HB2 ALA 36 1HB ALA 36 -6.142 -0.207 -2.527 980 HB3 ALA 36 2HB ALA 36 -7.738 0.413 -2.102 981 H LEU 37 H LEU 37 -5.661 -3.069 -2.187 982 HA LEU 37 HA LEU 37 -4.742 -3.465 -4.828 983 HG LEU 37 HG LEU 37 -3.819 -2.967 -1.638 984 HB2 LEU 37 2HB LEU 37 -4.079 -5.236 -2.491 985 HB3 LEU 37 1HB LEU 37 -3.078 -4.851 -3.874 986 HD11 LEU 37 1HD1 LEU 37 -1.200 -4.275 -2.373 987 HD12 LEU 37 2HD1 LEU 37 -2.194 -4.635 -0.961 988 HD13 LEU 37 3HD1 LEU 37 -1.420 -3.057 -1.117 989 HD21 LEU 37 3HD2 LEU 37 -2.055 -2.520 -4.053 990 HD22 LEU 37 1HD2 LEU 37 -2.274 -1.395 -2.713 991 HD23 LEU 37 2HD2 LEU 37 -3.633 -1.784 -3.768 992 H LEU 38 H LEU 38 -6.615 -5.458 -2.613 993 HA LEU 38 HA LEU 38 -6.598 -7.791 -4.220 994 HG LEU 38 HG LEU 38 -6.211 -9.026 -2.150 995 HB2 LEU 38 2HB LEU 38 -8.349 -6.912 -1.940 996 HB3 LEU 38 1HB LEU 38 -8.595 -8.436 -2.765 997 HD11 LEU 38 1HD1 LEU 38 -6.523 -6.670 -0.296 998 HD12 LEU 38 2HD1 LEU 38 -5.413 -6.768 -1.664 999 HD13 LEU 38 3HD1 LEU 38 -5.205 -7.841 -0.279 1000 HD21 LEU 38 3HD2 LEU 38 -8.174 -8.565 0.092 1001 HD22 LEU 38 1HD2 LEU 38 -6.805 -9.676 0.124 1002 HD23 LEU 38 2HD2 LEU 38 -8.142 -9.958 -0.992 1003 H LYS 39 H LYS 39 -8.510 -4.916 -4.233 1004 HA LYS 39 HA LYS 39 -10.572 -6.103 -5.878 1005 HB2 LYS 39 2HB LYS 39 -10.161 -3.401 -4.650 1006 HB3 LYS 39 1HB LYS 39 -11.363 -3.638 -5.909 1007 HG2 LYS 39 2HG LYS 39 -11.248 -5.175 -3.324 1008 HG3 LYS 39 1HG LYS 39 -12.306 -3.799 -3.642 1009 HD2 LYS 39 2HD LYS 39 -13.453 -5.011 -5.378 1010 HD3 LYS 39 1HD LYS 39 -12.295 -6.338 -5.272 1011 HE2 LYS 39 2HE LYS 39 -14.079 -5.499 -2.995 1012 HE3 LYS 39 1HE LYS 39 -14.510 -6.750 -4.160 1013 HZ1 LYS 39 3HZ LYS 39 -13.569 -7.743 -2.197 1014 HZ2 LYS 39 1HZ LYS 39 -12.172 -6.784 -2.324 1015 HZ3 LYS 39 2HZ LYS 39 -12.499 -7.963 -3.496 1016 H THR 40 H THR 40 -8.168 -3.478 -6.238 1017 HA THR 40 HA THR 40 -7.956 -4.148 -9.040 1018 HB THR 40 HB THR 40 -9.748 -2.644 -9.247 1019 HG1 THR 40 1HG THR 40 -7.473 -1.026 -9.750 1020 HG21 THR 40 3HG2 THR 40 -9.706 -1.572 -7.077 1021 HG22 THR 40 1HG2 THR 40 -9.716 -0.346 -8.347 1022 HG23 THR 40 2HG2 THR 40 -8.218 -0.722 -7.494 1023 H ALA 41 H ALA 41 -5.892 -4.722 -8.467 1024 HA ALA 41 HA ALA 41 -4.048 -2.438 -8.535 1025 HB1 ALA 41 3HB ALA 41 -3.581 -5.016 -7.024 1026 HB2 ALA 41 1HB ALA 41 -3.896 -3.432 -6.313 1027 HB3 ALA 41 2HB ALA 41 -2.414 -3.707 -7.226 1028 H ILE 42 H ILE 42 -5.401 -4.722 -10.233 1029 HA ILE 42 HA ILE 42 -2.957 -5.555 -11.651 1030 HB ILE 42 HB ILE 42 -5.663 -6.912 -11.605 1031 HG12 ILE 42 2HG1 ILE 42 -4.426 -7.223 -9.508 1032 HG13 ILE 42 1HG1 ILE 42 -4.517 -8.729 -10.413 1033 HG21 ILE 42 1HG2 ILE 42 -3.108 -7.736 -12.975 1034 HG22 ILE 42 2HG2 ILE 42 -4.580 -7.161 -13.761 1035 HG23 ILE 42 3HG2 ILE 42 -4.589 -8.692 -12.888 1036 HD11 ILE 42 3HD1 ILE 42 -2.139 -6.888 -10.249 1037 HD12 ILE 42 1HD1 ILE 42 -2.221 -8.371 -11.198 1038 HD13 ILE 42 2HD1 ILE 42 -2.322 -8.445 -9.440 1039 H GLU 43 H GLU 43 -2.672 -4.652 -13.588 1040 HA GLU 43 HA GLU 43 -4.973 -3.333 -14.843 1041 HB2 GLU 43 2HB GLU 43 -3.292 -1.964 -16.028 1042 HB3 GLU 43 1HB GLU 43 -3.147 -1.829 -14.283 1043 HG2 GLU 43 2HG GLU 43 -1.370 -3.728 -14.590 1044 HG3 GLU 43 1HG GLU 43 -1.321 -3.126 -16.246 1045 H ILE 44 H ILE 44 -5.305 -3.571 -17.112 1046 HA ILE 44 HA ILE 44 -4.323 -6.134 -18.084 1047 HB ILE 44 HB ILE 44 -6.157 -5.893 -19.781 1048 HG12 ILE 44 2HG1 ILE 44 -7.149 -3.704 -17.952 1049 HG13 ILE 44 1HG1 ILE 44 -6.402 -3.409 -19.520 1050 HG21 ILE 44 1HG2 ILE 44 -7.917 -6.562 -18.222 1051 HG22 ILE 44 2HG2 ILE 44 -6.949 -5.953 -16.881 1052 HG23 ILE 44 3HG2 ILE 44 -6.375 -7.321 -17.836 1053 HD11 ILE 44 3HD1 ILE 44 -8.814 -3.305 -19.672 1054 HD12 ILE 44 1HD1 ILE 44 -8.944 -4.940 -19.022 1055 HD13 ILE 44 2HD1 ILE 44 -8.196 -4.675 -20.597 1056 H VAL 45 H VAL 45 -2.648 -6.078 -19.378 1057 HA VAL 45 HA VAL 45 -2.177 -3.757 -21.074 1058 HB VAL 45 HB VAL 45 -0.052 -4.938 -21.699 1059 HG11 VAL 45 1HG1 VAL 45 -0.093 -3.254 -19.946 1060 HG12 VAL 45 2HG1 VAL 45 1.050 -4.534 -19.542 1061 HG13 VAL 45 3HG1 VAL 45 -0.528 -4.481 -18.756 1062 HG21 VAL 45 3HG2 VAL 45 -0.728 -7.242 -21.272 1063 HG22 VAL 45 1HG2 VAL 45 -0.915 -6.884 -19.555 1064 HG23 VAL 45 2HG2 VAL 45 0.684 -6.827 -20.297 1065 H SER 46 H SER 46 -2.831 -3.686 -23.114 1066 HA SER 46 HA SER 46 -4.117 -6.021 -24.224 1067 HG SER 46 HG SER 46 -5.360 -5.508 -26.104 1068 HB2 SER 46 2HB SER 46 -5.190 -3.804 -24.388 1069 HB3 SER 46 1HB SER 46 -3.848 -3.233 -25.375 1070 H GLU 47 H GLU 47 -3.520 -7.129 -25.992 1071 HA GLU 47 HA GLU 47 -0.738 -7.010 -26.769 1072 HB2 GLU 47 2HB GLU 47 -2.947 -8.769 -27.853 1073 HB3 GLU 47 1HB GLU 47 -1.219 -9.006 -28.071 1074 HG2 GLU 47 2HG GLU 47 -0.979 -9.369 -25.663 1075 HG3 GLU 47 1HG GLU 47 -2.719 -9.163 -25.470 1076 H GLU 48 H GLU 48 0.047 -6.226 -28.646 1077 HA GLU 48 HA GLU 48 -1.446 -4.342 -30.105 1078 HB2 GLU 48 2HB GLU 48 1.038 -4.367 -29.807 1079 HB3 GLU 48 1HB GLU 48 1.116 -5.709 -30.937 1080 HG2 GLU 48 2HG GLU 48 0.355 -4.353 -32.732 1081 HG3 GLU 48 1HG GLU 48 -0.046 -3.029 -31.640 1082 H ASP 49 H ASP 49 -0.818 -7.730 -30.567 1083 HA ASP 49 HA ASP 49 -1.708 -7.916 -33.258 1084 HB2 ASP 49 2HB ASP 49 -0.323 -9.639 -32.098 1085 HB3 ASP 49 1HB ASP 49 -1.728 -10.063 -31.126 1086 H GLY 50 H GLY 50 -3.339 -7.779 -30.194 1087 HA2 GLY 50 2HA GLY 50 -5.704 -6.988 -30.432 1088 HA3 GLY 50 1HA GLY 50 -5.902 -8.314 -31.567 1089 H GLY 51 H GLY 51 -4.823 -7.763 -28.211 1090 HA2 GLY 51 2HA GLY 51 -6.736 -9.659 -27.225 1091 HA3 GLY 51 1HA GLY 51 -5.080 -10.254 -27.150 1092 H ALA 52 H ALA 52 -5.355 -10.265 -24.816 1093 HA ALA 52 HA ALA 52 -4.425 -7.841 -23.602 1094 HB1 ALA 52 3HB ALA 52 -7.172 -8.811 -22.814 1095 HB2 ALA 52 1HB ALA 52 -6.831 -7.348 -23.734 1096 HB3 ALA 52 2HB ALA 52 -6.275 -7.489 -22.065 1097 H HIS 53 H HIS 53 -3.484 -8.177 -21.633 1098 HA HIS 53 HA HIS 53 -3.835 -10.811 -20.349 1099 HD1 HIS 53 1HD HIS 53 -2.116 -13.061 -20.922 1100 HD2 HIS 53 2HD HIS 53 -0.845 -10.048 -23.476 1101 HE1 HIS 53 1HE HIS 53 -1.626 -14.193 -23.105 1102 HE2 HIS 53 2HE HIS 53 -1.082 -12.315 -24.695 1103 HB2 HIS 53 2HB HIS 53 -1.207 -9.391 -20.853 1104 HB3 HIS 53 1HB HIS 53 -1.393 -10.756 -19.759 1105 H ASN 54 H ASN 54 -3.917 -10.766 -18.132 1106 HA ASN 54 HA ASN 54 -4.065 -8.178 -16.839 1107 HB2 ASN 54 2HB ASN 54 -4.153 -10.923 -15.558 1108 HB3 ASN 54 1HB ASN 54 -4.660 -9.406 -14.827 1109 HD21 ASN 54 2HD2 ASN 54 -7.146 -11.541 -17.154 1110 HD22 ASN 54 1HD2 ASN 54 -5.507 -12.011 -16.877 1111 H GLN 55 H GLN 55 -2.403 -7.226 -15.735 1112 HA GLN 55 HA GLN 55 -0.191 -8.866 -14.819 1113 HB2 GLN 55 2HB GLN 55 0.395 -8.427 -17.152 1114 HB3 GLN 55 1HB GLN 55 0.195 -6.702 -16.889 1115 HG2 GLN 55 2HG GLN 55 2.064 -6.697 -15.341 1116 HG3 GLN 55 1HG GLN 55 2.243 -8.439 -15.528 1117 HE21 GLN 55 2HE2 GLN 55 3.095 -7.710 -19.130 1118 HE22 GLN 55 1HE2 GLN 55 1.685 -8.362 -18.378 1119 H CYS 56 H CYS 56 0.812 -8.039 -13.094 1120 HA CYS 56 HA CYS 56 0.310 -5.234 -12.380 1121 HG CYS 56 HG CYS 56 0.651 -4.479 -9.474 1122 HB2 CYS 56 2HB CYS 56 -0.089 -6.858 -10.583 1123 HB3 CYS 56 1HB CYS 56 1.532 -7.512 -10.788 1124 H LYS 57 H LYS 57 1.887 -3.763 -12.764 1125 HA LYS 57 HA LYS 57 4.123 -4.510 -14.319 1126 HB2 LYS 57 2HB LYS 57 4.792 -2.163 -14.212 1127 HB3 LYS 57 1HB LYS 57 3.075 -2.324 -14.552 1128 HG2 LYS 57 2HG LYS 57 2.488 -1.666 -12.351 1129 HG3 LYS 57 1HG LYS 57 4.160 -1.795 -11.798 1130 HD2 LYS 57 2HD LYS 57 3.537 0.535 -12.136 1131 HD3 LYS 57 1HD LYS 57 4.792 0.049 -13.275 1132 HE2 LYS 57 2HE LYS 57 3.134 1.384 -14.416 1133 HE3 LYS 57 1HE LYS 57 3.055 -0.278 -14.998 1134 HZ1 LYS 57 3HZ LYS 57 1.262 0.791 -12.894 1135 HZ2 LYS 57 1HZ LYS 57 1.109 -0.677 -13.732 1136 HZ3 LYS 57 2HZ LYS 57 0.865 0.792 -14.540 1137 H LEU 58 H LEU 58 3.746 -4.839 -11.054 1138 HA LEU 58 HA LEU 58 6.486 -4.312 -10.315 1139 HG LEU 58 HG LEU 58 5.886 -3.099 -8.254 1140 HB2 LEU 58 2HB LEU 58 4.118 -5.465 -8.876 1141 HB3 LEU 58 1HB LEU 58 5.724 -5.588 -8.190 1142 HD11 LEU 58 1HD1 LEU 58 4.272 -2.633 -10.004 1143 HD12 LEU 58 2HD1 LEU 58 3.832 -1.798 -8.514 1144 HD13 LEU 58 3HD1 LEU 58 2.970 -3.259 -8.995 1145 HD21 LEU 58 3HD2 LEU 58 3.571 -4.234 -6.695 1146 HD22 LEU 58 1HD2 LEU 58 4.431 -2.736 -6.333 1147 HD23 LEU 58 2HD2 LEU 58 5.269 -4.284 -6.221 1148 H CYS 59 H CYS 59 4.955 -6.696 -12.028 1149 HA CYS 59 HA CYS 59 5.762 -8.594 -12.982 1150 HG CYS 59 HG CYS 59 7.279 -6.714 -14.098 1151 HB2 CYS 59 2HB CYS 59 8.215 -8.181 -11.261 1152 HB3 CYS 59 1HB CYS 59 8.070 -9.332 -12.584 1153 H GLY 60 H GLY 60 4.340 -8.368 -10.353 1154 HA2 GLY 60 2HA GLY 60 5.157 -10.673 -8.847 1155 HA3 GLY 60 1HA GLY 60 3.714 -9.709 -8.577 1156 H ALA 61 H ALA 61 2.472 -9.932 -11.044 1157 HA ALA 61 HA ALA 61 2.122 -12.759 -11.572 1158 HB1 ALA 61 3HB ALA 61 -0.251 -12.781 -11.005 1159 HB2 ALA 61 1HB ALA 61 -0.135 -11.122 -10.416 1160 HB3 ALA 61 2HB ALA 61 0.729 -12.414 -9.584 1161 H SER 62 H SER 62 1.183 -13.171 -13.519 1162 HA SER 62 HA SER 62 -0.293 -11.164 -14.950 1163 HG SER 62 HG SER 62 0.170 -10.475 -16.959 1164 HB2 SER 62 2HB SER 62 2.134 -10.599 -15.414 1165 HB3 SER 62 1HB SER 62 2.269 -12.165 -16.214 1166 H VAL 63 H VAL 63 -1.699 -12.095 -16.346 1167 HA VAL 63 HA VAL 63 -1.361 -14.819 -17.264 1168 HB VAL 63 HB VAL 63 -2.166 -15.096 -14.927 1169 HG11 VAL 63 1HG1 VAL 63 -3.434 -13.060 -14.671 1170 HG12 VAL 63 2HG1 VAL 63 -4.473 -14.451 -14.360 1171 HG13 VAL 63 3HG1 VAL 63 -4.589 -13.588 -15.894 1172 HG21 VAL 63 3HG2 VAL 63 -4.068 -16.579 -15.414 1173 HG22 VAL 63 1HG2 VAL 63 -2.725 -16.810 -16.535 1174 HG23 VAL 63 2HG2 VAL 63 -4.152 -15.907 -17.043 1175 HA PRO 64 HA PRO 64 -3.993 -13.424 -20.691 1176 HB2 PRO 64 1HB PRO 64 -4.741 -15.377 -21.703 1177 HB3 PRO 64 2HB PRO 64 -5.162 -16.134 -20.163 1178 HG2 PRO 64 2HG PRO 64 -3.145 -17.205 -20.615 1179 HG3 PRO 64 1HG PRO 64 -2.475 -15.785 -21.440 1180 HD2 PRO 64 2HD PRO 64 -2.595 -16.406 -18.542 1181 HD3 PRO 64 1HD PRO 64 -1.427 -15.420 -19.441 1182 H TRP 65 H TRP 65 -6.137 -12.653 -20.916 1183 HA TRP 65 HA TRP 65 -7.421 -12.271 -18.359 1184 HD1 TRP 65 HD TRP 65 -7.318 -12.640 -22.352 1185 HE1 TRP 65 1HE TRP 65 -8.686 -12.068 -24.461 1186 HE3 TRP 65 3HE TRP 65 -10.265 -8.933 -20.423 1187 HZ2 TRP 65 2HZ TRP 65 -10.731 -10.279 -25.197 1188 HZ3 TRP 65 3HZ TRP 65 -11.899 -7.837 -21.900 1189 HH2 TRP 65 HH TRP 65 -12.123 -8.499 -24.239 1190 HB2 TRP 65 2HB TRP 65 -8.784 -10.614 -19.404 1191 HB3 TRP 65 1HB TRP 65 -7.144 -10.404 -19.992 1192 H LEU 66 H LEU 66 -9.867 -12.384 -18.250 1193 HA LEU 66 HA LEU 66 -11.717 -13.676 -18.094 1194 HG LEU 66 HG LEU 66 -13.466 -13.767 -19.908 1195 HB2 LEU 66 2HB LEU 66 -10.676 -14.575 -20.730 1196 HB3 LEU 66 1HB LEU 66 -11.864 -15.594 -19.944 1197 HD11 LEU 66 1HD1 LEU 66 -11.342 -12.144 -21.301 1198 HD12 LEU 66 2HD1 LEU 66 -11.924 -11.894 -19.654 1199 HD13 LEU 66 3HD1 LEU 66 -13.010 -11.647 -21.021 1200 HD21 LEU 66 3HD2 LEU 66 -13.406 -15.210 -21.860 1201 HD22 LEU 66 1HD2 LEU 66 -12.207 -14.159 -22.617 1202 HD23 LEU 66 2HD2 LEU 66 -13.840 -13.564 -22.318 1203 H GLN 67 H GLN 67 -8.815 -14.486 -17.321 1204 HA GLN 67 HA GLN 67 -9.570 -17.145 -16.304 1205 HB2 GLN 67 2HB GLN 67 -7.404 -16.554 -17.917 1206 HB3 GLN 67 1HB GLN 67 -6.702 -16.488 -16.308 1207 HG2 GLN 67 2HG GLN 67 -8.314 -18.827 -17.284 1208 HG3 GLN 67 1HG GLN 67 -6.571 -18.701 -17.511 1209 HE21 GLN 67 2HE2 GLN 67 -5.759 -19.535 -14.230 1210 HE22 GLN 67 1HE2 GLN 67 -5.210 -18.939 -15.760 1211 H THR 68 H THR 68 -8.508 -17.593 -14.128 1212 HA THR 68 HA THR 68 -9.107 -15.434 -12.364 1213 HB THR 68 HB THR 68 -7.649 -17.981 -11.662 1214 HG1 THR 68 1HG THR 68 -10.230 -17.565 -12.511 1215 HG21 THR 68 3HG2 THR 68 -8.693 -17.652 -9.471 1216 HG22 THR 68 1HG2 THR 68 -9.444 -16.165 -10.048 1217 HG23 THR 68 2HG2 THR 68 -7.690 -16.269 -9.908 1218 H GLY 69 H GLY 69 -7.803 -13.714 -12.282 1219 HA2 GLY 69 2HA GLY 69 -4.899 -14.111 -12.546 1220 HA3 GLY 69 1HA GLY 69 -5.758 -12.609 -12.850 1221 H ASP 70 H ASP 70 -5.576 -14.879 -10.122 1222 HA ASP 70 HA ASP 70 -4.376 -12.820 -8.476 1223 HB2 ASP 70 2HB ASP 70 -6.079 -13.129 -6.653 1224 HB3 ASP 70 1HB ASP 70 -6.662 -12.267 -8.070 1225 H GLU 71 H GLU 71 -5.558 -16.140 -8.746 1226 HA GLU 71 HA GLU 71 -3.719 -16.971 -6.640 1227 HB2 GLU 71 2HB GLU 71 -4.754 -19.176 -6.850 1228 HB3 GLU 71 1HB GLU 71 -5.972 -17.932 -6.624 1229 HG2 GLU 71 2HG GLU 71 -6.511 -17.987 -8.985 1230 HG3 GLU 71 1HG GLU 71 -5.231 -19.166 -9.265 1231 H ILE 72 H ILE 72 -3.088 -16.055 -9.524 1232 HA ILE 72 HA ILE 72 -1.687 -18.454 -10.430 1233 HB ILE 72 HB ILE 72 -3.230 -17.423 -12.039 1234 HG12 ILE 72 2HG1 ILE 72 -1.040 -18.594 -12.723 1235 HG13 ILE 72 1HG1 ILE 72 -1.895 -17.661 -13.940 1236 HG21 ILE 72 1HG2 ILE 72 -3.104 -15.109 -11.377 1237 HG22 ILE 72 2HG2 ILE 72 -2.724 -15.263 -13.092 1238 HG23 ILE 72 3HG2 ILE 72 -1.429 -15.009 -11.922 1239 HD11 ILE 72 3HD1 ILE 72 0.505 -17.326 -14.078 1240 HD12 ILE 72 1HD1 ILE 72 0.536 -16.758 -12.408 1241 HD13 ILE 72 2HD1 ILE 72 -0.313 -15.826 -13.642 1242 H LYS 73 H LYS 73 0.079 -18.467 -9.164 1243 HA LYS 73 HA LYS 73 2.282 -18.159 -8.730 1244 HB2 LYS 73 2HB LYS 73 2.314 -17.797 -11.238 1245 HB3 LYS 73 1HB LYS 73 2.273 -16.074 -10.914 1246 HG2 LYS 73 2HG LYS 73 4.395 -16.173 -9.800 1247 HG3 LYS 73 1HG LYS 73 4.428 -17.934 -9.942 1248 HD2 LYS 73 2HD LYS 73 4.417 -17.706 -12.397 1249 HD3 LYS 73 1HD LYS 73 4.455 -15.950 -12.216 1250 HE2 LYS 73 2HE LYS 73 6.606 -16.089 -11.104 1251 HE3 LYS 73 1HE LYS 73 6.554 -17.851 -11.183 1252 HZ1 LYS 73 3HZ LYS 73 6.664 -15.999 -13.505 1253 HZ2 LYS 73 1HZ LYS 73 6.552 -17.689 -13.607 1254 HZ3 LYS 73 2HZ LYS 73 7.930 -16.966 -12.935 1255 H HIS 74 H HIS 74 3.834 -16.620 -7.754 1256 HA HIS 74 HA HIS 74 2.933 -13.929 -7.245 1257 HD1 HIS 74 1HD HIS 74 2.293 -17.704 -4.914 1258 HD2 HIS 74 2HD HIS 74 5.361 -15.171 -3.689 1259 HE1 HIS 74 1HE HIS 74 3.819 -19.113 -3.490 1260 HE2 HIS 74 2HE HIS 74 5.571 -17.518 -2.622 1261 HB2 HIS 74 2HB HIS 74 2.997 -14.072 -4.836 1262 HB3 HIS 74 1HB HIS 74 1.841 -15.248 -5.431 1263 H ALA 75 H ALA 75 4.609 -12.557 -6.990 1264 HA ALA 75 HA ALA 75 7.284 -13.737 -6.730 1265 HB1 ALA 75 3HB ALA 75 6.496 -10.965 -7.650 1266 HB2 ALA 75 1HB ALA 75 6.963 -12.305 -8.697 1267 HB3 ALA 75 2HB ALA 75 8.139 -11.604 -7.585 1268 H ASP 76 H ASP 76 8.173 -13.691 -4.784 1269 HA ASP 76 HA ASP 76 6.925 -12.488 -2.563 1270 HB2 ASP 76 2HB ASP 76 9.724 -13.591 -2.863 1271 HB3 ASP 76 1HB ASP 76 8.964 -13.188 -1.335 1272 H ASP 77 H ASP 77 9.192 -11.297 -4.831 1273 HA ASP 77 HA ASP 77 10.414 -9.300 -3.209 1274 HB2 ASP 77 2HB ASP 77 10.190 -9.552 -6.214 1275 HB3 ASP 77 1HB ASP 77 11.186 -8.360 -5.387 1276 H CYS 78 H CYS 78 7.342 -9.540 -4.649 1277 HA CYS 78 HA CYS 78 7.065 -6.702 -5.168 1278 HG CYS 78 HG CYS 78 7.153 -7.596 -7.698 1279 HB2 CYS 78 2HB CYS 78 5.048 -8.940 -5.375 1280 HB3 CYS 78 1HB CYS 78 4.809 -7.288 -5.939 1281 HA PRO 79 HA PRO 79 5.756 -5.676 -1.049 1282 HB2 PRO 79 1HB PRO 79 5.646 -3.384 -1.110 1283 HB3 PRO 79 2HB PRO 79 4.558 -3.376 -2.505 1284 HG2 PRO 79 2HG PRO 79 6.547 -2.724 -3.521 1285 HG3 PRO 79 1HG PRO 79 7.534 -3.713 -2.428 1286 HD2 PRO 79 2HD PRO 79 5.922 -4.544 -4.806 1287 HD3 PRO 79 1HD PRO 79 7.515 -5.117 -4.269 1288 H VAL 80 H VAL 80 3.600 -5.735 -3.826 1289 HA VAL 80 HA VAL 80 1.155 -5.441 -2.448 1290 HB VAL 80 HB VAL 80 1.667 -6.941 -5.026 1291 HG11 VAL 80 1HG1 VAL 80 -0.503 -7.482 -4.063 1292 HG12 VAL 80 2HG1 VAL 80 -0.697 -6.487 -5.507 1293 HG13 VAL 80 3HG1 VAL 80 -0.876 -5.767 -3.907 1294 HG21 VAL 80 3HG2 VAL 80 0.930 -4.050 -4.567 1295 HG22 VAL 80 1HG2 VAL 80 1.012 -4.847 -6.138 1296 HG23 VAL 80 2HG2 VAL 80 2.474 -4.650 -5.173 1297 H VAL 81 H VAL 81 3.159 -8.241 -3.188 1298 HA VAL 81 HA VAL 81 1.259 -10.208 -2.426 1299 HB VAL 81 HB VAL 81 4.272 -10.421 -2.604 1300 HG11 VAL 81 1HG1 VAL 81 3.926 -12.819 -2.779 1301 HG12 VAL 81 2HG1 VAL 81 2.188 -12.598 -2.578 1302 HG13 VAL 81 3HG1 VAL 81 3.285 -12.209 -1.254 1303 HG21 VAL 81 3HG2 VAL 81 3.859 -11.400 -4.808 1304 HG22 VAL 81 1HG2 VAL 81 3.260 -9.744 -4.712 1305 HG23 VAL 81 2HG2 VAL 81 2.132 -11.096 -4.618 1306 H ILE 82 H ILE 82 3.894 -8.565 -0.737 1307 HA ILE 82 HA ILE 82 3.571 -10.111 1.654 1308 HB ILE 82 HB ILE 82 5.695 -8.924 0.845 1309 HG12 ILE 82 2HG1 ILE 82 5.263 -9.987 3.143 1310 HG13 ILE 82 1HG1 ILE 82 6.611 -8.867 3.005 1311 HG21 ILE 82 1HG2 ILE 82 6.059 -6.649 1.688 1312 HG22 ILE 82 2HG2 ILE 82 4.358 -6.570 2.146 1313 HG23 ILE 82 3HG2 ILE 82 4.806 -6.728 0.448 1314 HD11 ILE 82 3HD1 ILE 82 5.253 -7.111 4.027 1315 HD12 ILE 82 1HD1 ILE 82 5.375 -8.529 5.070 1316 HD13 ILE 82 2HD1 ILE 82 3.897 -8.234 4.154 1317 H ALA 83 H ALA 83 2.384 -7.040 0.447 1318 HA ALA 83 HA ALA 83 1.343 -6.011 2.845 1319 HB1 ALA 83 3HB ALA 83 0.361 -5.543 0.038 1320 HB2 ALA 83 1HB ALA 83 1.636 -4.641 0.856 1321 HB3 ALA 83 2HB ALA 83 -0.023 -4.556 1.448 1322 H LYS 84 H LYS 84 -0.174 -8.069 0.371 1323 HA LYS 84 HA LYS 84 -2.714 -8.098 1.591 1324 HB2 LYS 84 2HB LYS 84 -3.257 -9.962 0.169 1325 HB3 LYS 84 1HB LYS 84 -2.336 -8.789 -0.754 1326 HG2 LYS 84 2HG LYS 84 -0.350 -10.162 -0.571 1327 HG3 LYS 84 1HG LYS 84 -1.222 -11.317 0.442 1328 HD2 LYS 84 2HD LYS 84 -2.775 -11.746 -1.424 1329 HD3 LYS 84 1HD LYS 84 -1.851 -10.629 -2.431 1330 HE2 LYS 84 2HE LYS 84 -1.232 -12.939 -2.894 1331 HE3 LYS 84 1HE LYS 84 0.122 -12.048 -2.200 1332 HZ1 LYS 84 3HZ LYS 84 -1.678 -13.868 -0.681 1333 HZ2 LYS 84 1HZ LYS 84 -0.318 -13.062 -0.074 1334 HZ3 LYS 84 2HZ LYS 84 -0.127 -14.269 -1.238 1335 H GLN 85 H GLN 85 0.207 -9.881 2.230 1336 HA GLN 85 HA GLN 85 -1.032 -11.843 3.892 1337 HB2 GLN 85 2HB GLN 85 1.828 -10.960 3.540 1338 HB3 GLN 85 1HB GLN 85 1.347 -12.238 4.637 1339 HG2 GLN 85 2HG GLN 85 0.383 -13.470 2.732 1340 HG3 GLN 85 1HG GLN 85 0.981 -12.208 1.656 1341 HE21 GLN 85 2HE2 GLN 85 4.431 -13.215 2.843 1342 HE22 GLN 85 1HE2 GLN 85 3.434 -11.858 3.229 1343 H ILE 86 H ILE 86 0.324 -8.642 4.325 1344 HA ILE 86 HA ILE 86 0.532 -8.592 7.123 1345 HB ILE 86 HB ILE 86 -0.154 -6.322 5.238 1346 HG12 ILE 86 2HG1 ILE 86 2.479 -7.151 6.481 1347 HG13 ILE 86 1HG1 ILE 86 2.028 -7.368 4.793 1348 HG21 ILE 86 1HG2 ILE 86 0.574 -4.832 7.053 1349 HG22 ILE 86 2HG2 ILE 86 0.748 -6.227 8.119 1350 HG23 ILE 86 3HG2 ILE 86 -0.843 -5.777 7.505 1351 HD11 ILE 86 3HD1 ILE 86 2.356 -4.724 6.198 1352 HD12 ILE 86 1HD1 ILE 86 1.934 -4.952 4.501 1353 HD13 ILE 86 2HD1 ILE 86 3.515 -5.463 5.094 1354 H LEU 87 H LEU 87 -2.163 -7.660 4.996 1355 HA LEU 87 HA LEU 87 -3.896 -6.973 7.131 1356 HG LEU 87 HG LEU 87 -3.770 -8.321 3.676 1357 HB2 LEU 87 2HB LEU 87 -5.645 -6.818 5.456 1358 HB3 LEU 87 1HB LEU 87 -4.183 -6.032 4.906 1359 HD11 LEU 87 1HD1 LEU 87 -6.772 -8.297 3.957 1360 HD12 LEU 87 2HD1 LEU 87 -5.677 -9.487 4.662 1361 HD13 LEU 87 3HD1 LEU 87 -5.833 -9.361 2.909 1362 HD21 LEU 87 3HD2 LEU 87 -4.032 -6.163 2.591 1363 HD22 LEU 87 1HD2 LEU 87 -5.786 -6.285 2.749 1364 HD23 LEU 87 2HD2 LEU 87 -4.913 -7.419 1.717 1365 H SER 88 H SER 88 -2.995 -9.964 5.790 1366 HA SER 88 HA SER 88 -5.355 -11.375 6.664 1367 HG SER 88 HG SER 88 -3.858 -11.227 4.019 1368 HB2 SER 88 2HB SER 88 -2.716 -12.391 5.586 1369 HB3 SER 88 1HB SER 88 -4.151 -13.368 5.865 1370 H SER 89 H SER 89 -1.887 -11.435 7.459 1371 HA SER 89 HA SER 89 -0.750 -11.783 9.378 1372 HG SER 89 HG SER 89 -0.771 -11.621 11.663 1373 HB2 SER 89 2HB SER 89 -2.302 -10.139 10.379 1374 HB3 SER 89 1HB SER 89 -3.421 -11.444 10.767 1375 H ARG 90 H ARG 90 -3.870 -13.369 10.034 1376 HA ARG 90 HA ARG 90 -2.933 -15.992 9.603 1377 HE ARG 90 HE ARG 90 -0.553 -15.791 13.042 1378 HB2 ARG 90 2HB ARG 90 -3.166 -16.731 12.046 1379 HB3 ARG 90 1HB ARG 90 -1.681 -15.911 11.588 1380 HG2 ARG 90 2HG ARG 90 -2.579 -13.815 12.523 1381 HG3 ARG 90 1HG ARG 90 -4.024 -14.689 13.036 1382 HD2 ARG 90 2HD ARG 90 -2.383 -14.405 14.861 1383 HD3 ARG 90 1HD ARG 90 -2.706 -16.099 14.490 1384 HH11 ARG 90 1HH1 ARG 90 -1.170 -14.389 16.197 1385 HH12 ARG 90 2HH1 ARG 90 0.495 -14.434 16.683 1386 HH21 ARG 90 2HH2 ARG 90 2.099 -15.258 15.270 1387 HH22 ARG 90 1HH2 ARG 90 1.657 -15.828 13.687 1388 HA PRO 91 HA PRO 91 -7.456 -15.350 9.651 1389 HB2 PRO 91 1HB PRO 91 -7.869 -15.009 7.461 1390 HB3 PRO 91 2HB PRO 91 -7.566 -16.711 7.120 1391 HG2 PRO 91 2HG PRO 91 -5.728 -15.939 6.009 1392 HG3 PRO 91 1HG PRO 91 -5.758 -14.387 6.868 1393 HD2 PRO 91 2HD PRO 91 -4.518 -16.987 7.684 1394 HD3 PRO 91 1HD PRO 91 -3.915 -15.328 7.899 1395 H LYS 92 H LYS 92 -6.989 -17.049 11.361 1396 HA LYS 92 HA LYS 92 -8.894 -19.037 11.203 1397 HB2 LYS 92 2HB LYS 92 -7.359 -20.191 9.628 1398 HB3 LYS 92 1HB LYS 92 -6.110 -20.181 10.867 1399 HG2 LYS 92 2HG LYS 92 -7.694 -21.492 12.322 1400 HG3 LYS 92 1HG LYS 92 -8.722 -21.670 10.900 1401 HD2 LYS 92 2HD LYS 92 -6.890 -22.773 9.712 1402 HD3 LYS 92 1HD LYS 92 -5.856 -22.582 11.132 1403 HE2 LYS 92 2HE LYS 92 -6.681 -24.800 11.203 1404 HE3 LYS 92 1HE LYS 92 -7.578 -23.895 12.420 1405 HZ1 LYS 92 3HZ LYS 92 -8.501 -24.881 9.797 1406 HZ2 LYS 92 1HZ LYS 92 -9.297 -23.592 10.560 1407 HZ3 LYS 92 2HZ LYS 92 -9.203 -25.101 11.326 1408 H LEU 93 H LEU 93 -9.434 -19.330 13.282 1409 HA LEU 93 HA LEU 93 -7.738 -18.527 15.418 1410 HG LEU 93 HG LEU 93 -8.939 -20.303 17.610 1411 HB2 LEU 93 2HB LEU 93 -10.194 -18.461 15.574 1412 HB3 LEU 93 1HB LEU 93 -10.247 -20.211 15.475 1413 HD11 LEU 93 1HD1 LEU 93 -8.873 -18.288 18.998 1414 HD12 LEU 93 2HD1 LEU 93 -9.515 -17.345 17.652 1415 HD13 LEU 93 3HD1 LEU 93 -7.926 -18.100 17.522 1416 HD21 LEU 93 3HD2 LEU 93 -11.362 -20.599 17.559 1417 HD22 LEU 93 1HD2 LEU 93 -11.580 -18.856 17.729 1418 HD23 LEU 93 2HD2 LEU 93 -10.841 -19.784 19.033 1419 H HIS 94 H HIS 94 -6.486 -19.742 16.811 1420 HA HIS 94 HA HIS 94 -5.774 -22.387 15.847 1421 HD1 HIS 94 1HD HIS 94 -3.853 -18.656 17.207 1422 HD2 HIS 94 2HD HIS 94 -3.010 -21.849 14.679 1423 HE1 HIS 94 1HE HIS 94 -2.466 -17.698 15.341 1424 HE2 HIS 94 2HE HIS 94 -1.784 -19.685 13.949 1425 HB2 HIS 94 2HB HIS 94 -4.593 -20.825 18.151 1426 HB3 HIS 94 1HB HIS 94 -3.925 -22.283 17.428 1427 H ALA 95 H ALA 95 -7.815 -23.341 16.395 1428 HA ALA 95 HA ALA 95 -8.008 -24.000 19.260 1429 HB1 ALA 95 3HB ALA 95 -9.974 -22.776 18.453 1430 HB2 ALA 95 1HB ALA 95 -10.389 -24.430 18.908 1431 HB3 ALA 95 2HB ALA 95 -10.221 -23.998 17.206 1432 H VAL 96 H VAL 96 -6.904 -25.830 19.438 1433 HA VAL 96 HA VAL 96 -7.660 -28.073 17.704 1434 HB VAL 96 HB VAL 96 -5.299 -28.931 17.969 1435 HG11 VAL 96 1HG1 VAL 96 -4.394 -27.534 16.181 1436 HG12 VAL 96 2HG1 VAL 96 -5.630 -26.318 16.495 1437 HG13 VAL 96 3HG1 VAL 96 -6.093 -27.910 15.893 1438 HG21 VAL 96 3HG2 VAL 96 -3.540 -27.317 18.500 1439 HG22 VAL 96 1HG2 VAL 96 -4.630 -27.534 19.870 1440 HG23 VAL 96 2HG2 VAL 96 -4.760 -26.095 18.859 Start of MODEL 10 1 HA MET 1 HA MET 1 0.949 22.319 -9.384 2 H1 MET 1 1H MET 1 -1.167 21.697 -10.441 3 H2 MET 1 2H MET 1 -0.473 20.219 -10.911 4 H3 MET 1 3H MET 1 0.157 21.682 -11.497 5 HB2 MET 1 2HB MET 1 -0.554 19.877 -8.457 6 HB3 MET 1 1HB MET 1 0.713 20.613 -7.489 7 HG2 MET 1 2HG MET 1 -1.529 21.330 -6.810 8 HG3 MET 1 1HG MET 1 -0.532 22.678 -7.352 9 HE1 MET 1 3HE MET 1 -2.790 24.150 -7.486 10 HE2 MET 1 1HE MET 1 -3.729 22.745 -6.982 11 HE3 MET 1 2HE MET 1 -4.205 23.655 -8.415 12 H GLY 2 H GLY 2 2.834 21.208 -8.178 13 HA2 GLY 2 2HA GLY 2 3.907 18.903 -9.585 14 HA3 GLY 2 1HA GLY 2 4.757 20.415 -9.860 15 H SER 3 H SER 3 4.209 17.807 -7.717 16 HA SER 3 HA SER 3 6.306 18.884 -5.960 17 HG SER 3 HG SER 3 3.203 18.975 -5.448 18 HB2 SER 3 2HB SER 3 4.122 16.947 -5.150 19 HB3 SER 3 1HB SER 3 5.335 17.672 -4.096 20 H SER 4 H SER 4 7.940 17.935 -7.221 21 HA SER 4 HA SER 4 7.765 15.040 -7.650 22 HG SER 4 HG SER 4 9.776 15.211 -10.454 23 HB2 SER 4 2HB SER 4 8.211 16.517 -9.612 24 HB3 SER 4 1HB SER 4 9.723 17.012 -8.854 25 H HIS 5 H HIS 5 8.379 14.182 -5.715 26 HA HIS 5 HA HIS 5 11.221 14.575 -5.058 27 HD1 HIS 5 1HD HIS 5 8.788 16.913 -3.386 28 HD2 HIS 5 2HD HIS 5 12.385 15.355 -1.995 29 HE1 HIS 5 1HE HIS 5 10.023 18.856 -2.377 30 HE2 HIS 5 2HE HIS 5 12.147 17.875 -1.451 31 HB2 HIS 5 2HB HIS 5 8.863 14.298 -3.251 32 HB3 HIS 5 1HB HIS 5 10.383 13.567 -2.746 33 H HIS 6 H HIS 6 12.039 12.975 -6.262 34 HA HIS 6 HA HIS 6 10.817 10.318 -6.034 35 HD1 HIS 6 1HD HIS 6 14.604 11.282 -8.199 36 HD2 HIS 6 2HD HIS 6 11.129 13.302 -9.287 37 HE1 HIS 6 1HE HIS 6 15.366 13.351 -9.408 38 HE2 HIS 6 2HE HIS 6 13.251 14.610 -9.975 39 HB2 HIS 6 2HB HIS 6 12.350 9.857 -8.093 40 HB3 HIS 6 1HB HIS 6 10.852 10.750 -8.303 41 H HIS 7 H HIS 7 11.712 9.067 -4.592 42 HA HIS 7 HA HIS 7 14.640 9.042 -4.338 43 HD1 HIS 7 1HD HIS 7 15.921 9.459 -1.794 44 HD2 HIS 7 2HD HIS 7 11.956 10.661 -1.437 45 HE1 HIS 7 1HE HIS 7 15.977 11.600 -0.471 46 HE2 HIS 7 2HE HIS 7 13.554 12.172 -0.072 47 HB2 HIS 7 2HB HIS 7 12.438 8.165 -2.478 48 HB3 HIS 7 1HB HIS 7 14.085 7.583 -2.276 49 H HIS 8 H HIS 8 15.250 6.556 -3.587 50 HA HIS 8 HA HIS 8 13.971 4.767 -5.523 51 HD1 HIS 8 1HD HIS 8 17.259 7.465 -6.665 52 HD2 HIS 8 2HD HIS 8 14.302 5.099 -8.399 53 HE1 HIS 8 1HE HIS 8 16.574 8.661 -8.768 54 HE2 HIS 8 2HE HIS 8 14.670 7.309 -9.707 55 HB2 HIS 8 2HB HIS 8 16.940 5.331 -5.447 56 HB3 HIS 8 1HB HIS 8 16.197 4.028 -6.364 57 H HIS 9 H HIS 9 13.469 2.947 -4.592 58 HA HIS 9 HA HIS 9 15.421 1.558 -2.926 59 HD1 HIS 9 1HD HIS 9 15.179 0.227 -0.140 60 HD2 HIS 9 2HD HIS 9 14.363 4.305 -0.324 61 HE1 HIS 9 1HE HIS 9 16.468 1.265 1.752 62 HE2 HIS 9 2HE HIS 9 15.824 3.696 1.730 63 HB2 HIS 9 2HB HIS 9 12.867 2.621 -1.921 64 HB3 HIS 9 1HB HIS 9 13.088 0.902 -1.616 65 H HIS 10 H HIS 10 14.643 -0.812 -2.603 66 HA HIS 10 HA HIS 10 13.049 -1.617 -4.937 67 HD1 HIS 10 1HD HIS 10 14.928 -2.621 -7.738 68 HD2 HIS 10 2HD HIS 10 14.173 -5.370 -4.700 69 HE1 HIS 10 1HE HIS 10 14.319 -4.770 -8.892 70 HE2 HIS 10 2HE HIS 10 13.966 -6.448 -7.043 71 HB2 HIS 10 2HB HIS 10 15.479 -1.715 -5.485 72 HB3 HIS 10 1HB HIS 10 15.689 -2.889 -4.192 73 H SER 11 H SER 11 14.912 -3.451 -2.503 74 HA SER 11 HA SER 11 12.766 -5.374 -2.441 75 HG SER 11 HG SER 11 14.873 -7.057 -3.157 76 HB2 SER 11 2HB SER 11 15.434 -5.366 -1.016 77 HB3 SER 11 1HB SER 11 14.327 -6.735 -1.126 78 H SER 12 H SER 12 11.750 -6.160 -0.574 79 HA SER 12 HA SER 12 11.577 -4.232 1.632 80 HG SER 12 HG SER 12 10.013 -4.153 -0.275 81 HB2 SER 12 2HB SER 12 9.686 -6.500 0.943 82 HB3 SER 12 1HB SER 12 9.410 -5.213 2.117 83 H GLY 13 H GLY 13 10.960 -5.518 3.788 84 HA2 GLY 13 2HA GLY 13 12.819 -7.815 3.978 85 HA3 GLY 13 1HA GLY 13 12.739 -6.566 5.210 86 H ARG 14 H ARG 14 12.427 -9.296 5.742 87 HA ARG 14 HA ARG 14 9.571 -9.638 6.262 88 HE ARG 14 HE ARG 14 10.251 -13.491 3.145 89 HB2 ARG 14 2HB ARG 14 11.940 -11.460 6.725 90 HB3 ARG 14 1HB ARG 14 10.309 -11.846 7.248 91 HG2 ARG 14 2HG ARG 14 9.560 -11.768 4.907 92 HG3 ARG 14 1HG ARG 14 11.222 -11.442 4.409 93 HD2 ARG 14 2HD ARG 14 11.955 -13.556 5.315 94 HD3 ARG 14 1HD ARG 14 10.347 -13.873 5.961 95 HH11 ARG 14 1HH1 ARG 14 11.126 -15.843 5.596 96 HH12 ARG 14 2HH1 ARG 14 10.845 -17.208 4.562 97 HH21 ARG 14 2HH2 ARG 14 10.169 -16.894 2.404 98 HH22 ARG 14 1HH2 ARG 14 9.899 -15.281 1.788 99 H GLU 15 H GLU 15 8.921 -8.418 7.949 100 HA GLU 15 HA GLU 15 10.623 -8.419 10.346 101 HB2 GLU 15 2HB GLU 15 10.100 -6.197 9.251 102 HB3 GLU 15 1HB GLU 15 8.421 -6.450 9.714 103 HG2 GLU 15 2HG GLU 15 9.646 -4.998 11.279 104 HG3 GLU 15 1HG GLU 15 9.016 -6.458 12.046 105 H ASN 16 H ASN 16 9.964 -9.929 11.711 106 HA ASN 16 HA ASN 16 7.200 -10.767 11.810 107 HB2 ASN 16 2HB ASN 16 7.904 -12.532 13.274 108 HB3 ASN 16 1HB ASN 16 9.073 -12.406 11.972 109 HD21 ASN 16 2HD2 ASN 16 11.373 -10.743 14.465 110 HD22 ASN 16 1HD2 ASN 16 10.495 -10.122 13.113 111 H LEU 17 H LEU 17 7.067 -8.253 12.449 112 HA LEU 17 HA LEU 17 6.358 -8.302 15.288 113 HG LEU 17 HG LEU 17 6.321 -5.176 15.622 114 HB2 LEU 17 2HB LEU 17 8.533 -7.175 15.142 115 HB3 LEU 17 1HB LEU 17 7.895 -6.080 13.930 116 HD11 LEU 17 1HD1 LEU 17 6.704 -5.701 17.986 117 HD12 LEU 17 2HD1 LEU 17 7.864 -6.944 17.517 118 HD13 LEU 17 3HD1 LEU 17 6.164 -7.113 17.079 119 HD21 LEU 17 3HD2 LEU 17 9.237 -5.089 16.390 120 HD22 LEU 17 1HD2 LEU 17 8.002 -3.935 16.894 121 HD23 LEU 17 2HD2 LEU 17 8.446 -4.064 15.193 122 H TYR 18 H TYR 18 4.332 -7.532 15.604 123 HA TYR 18 HA TYR 18 3.014 -6.344 13.280 124 HD1 TYR 18 2HD TYR 18 1.679 -7.650 12.059 125 HD2 TYR 18 1HD TYR 18 -0.720 -6.668 15.428 126 HE1 TYR 18 2HE TYR 18 -0.258 -7.352 10.582 127 HE2 TYR 18 1HE TYR 18 -2.669 -6.368 13.957 128 HH TYR 18 HH TYR 18 -2.666 -7.376 10.684 129 HB2 TYR 18 2HB TYR 18 2.131 -8.392 14.689 130 HB3 TYR 18 1HB TYR 18 1.525 -7.127 15.755 131 H PHE 19 H PHE 19 1.209 -4.711 13.961 132 HA PHE 19 HA PHE 19 2.705 -2.469 14.875 133 HD1 PHE 19 2HD PHE 19 2.623 -0.615 12.898 134 HD2 PHE 19 1HD PHE 19 -0.112 -3.746 12.003 135 HE1 PHE 19 2HE PHE 19 3.364 -0.584 10.553 136 HE2 PHE 19 1HE PHE 19 0.628 -3.726 9.657 137 HZ PHE 19 HZ PHE 19 2.368 -2.141 8.929 138 HB2 PHE 19 2HB PHE 19 -0.202 -2.684 14.087 139 HB3 PHE 19 1HB PHE 19 0.659 -1.175 14.375 140 H GLN 20 H GLN 20 3.168 -2.991 17.015 141 HA GLN 20 HA GLN 20 1.142 -1.837 18.784 142 HB2 GLN 20 2HB GLN 20 2.846 -4.258 19.427 143 HB3 GLN 20 1HB GLN 20 1.937 -3.348 20.623 144 HG2 GLN 20 2HG GLN 20 -0.143 -3.925 19.491 145 HG3 GLN 20 1HG GLN 20 0.766 -4.831 18.282 146 HE21 GLN 20 2HE2 GLN 20 0.020 -6.393 21.948 147 HE22 GLN 20 1HE2 GLN 20 -0.319 -4.741 21.579 148 H GLY 21 H GLY 21 4.255 -3.154 19.709 149 HA2 GLY 21 2HA GLY 21 5.326 -0.457 20.081 150 HA3 GLY 21 1HA GLY 21 6.054 -1.957 20.654 151 H MET 22 H MET 22 5.241 -0.217 17.693 152 HA MET 22 HA MET 22 6.872 -1.896 16.045 153 HB2 MET 22 2HB MET 22 4.727 -0.362 15.540 154 HB3 MET 22 1HB MET 22 5.986 0.779 15.090 155 HG2 MET 22 2HG MET 22 5.158 -0.497 13.178 156 HG3 MET 22 1HG MET 22 6.876 -0.783 13.475 157 HE1 MET 22 3HE MET 22 5.626 -4.274 12.147 158 HE2 MET 22 1HE MET 22 6.774 -2.957 11.909 159 HE3 MET 22 2HE MET 22 5.055 -2.690 11.620 160 H THR 23 H THR 23 8.781 -1.407 15.020 161 HA THR 23 HA THR 23 10.599 0.119 16.606 162 HB THR 23 HB THR 23 11.423 -0.937 13.949 163 HG1 THR 23 1HG THR 23 10.689 -2.589 16.174 164 HG21 THR 23 3HG2 THR 23 13.318 -1.753 15.295 165 HG22 THR 23 1HG2 THR 23 12.536 -1.128 16.746 166 HG23 THR 23 2HG2 THR 23 13.073 -0.017 15.485 167 H ASP 24 H ASP 24 8.473 1.117 14.355 168 HA ASP 24 HA ASP 24 8.126 3.074 13.282 169 HB2 ASP 24 2HB ASP 24 9.350 4.163 15.127 170 HB3 ASP 24 1HB ASP 24 10.859 3.917 14.253 171 H THR 25 H THR 25 11.389 1.765 12.788 172 HA THR 25 HA THR 25 11.876 2.738 10.218 173 HB THR 25 HB THR 25 12.700 0.026 11.271 174 HG1 THR 25 1HG THR 25 13.739 2.640 11.724 175 HG21 THR 25 3HG2 THR 25 14.046 1.894 9.310 176 HG22 THR 25 1HG2 THR 25 13.185 0.413 8.886 177 HG23 THR 25 2HG2 THR 25 14.661 0.331 9.848 178 H ALA 26 H ALA 26 9.573 0.437 11.250 179 HA ALA 26 HA ALA 26 9.201 -1.148 8.993 180 HB1 ALA 26 3HB ALA 26 7.104 -0.096 10.885 181 HB2 ALA 26 1HB ALA 26 8.071 -1.552 11.117 182 HB3 ALA 26 2HB ALA 26 6.915 -1.464 9.788 183 H ALA 27 H ALA 27 8.412 2.198 9.569 184 HA ALA 27 HA ALA 27 6.438 2.646 7.655 185 HB1 ALA 27 3HB ALA 27 7.102 4.295 9.333 186 HB2 ALA 27 1HB ALA 27 7.134 4.983 7.711 187 HB3 ALA 27 2HB ALA 27 8.642 4.523 8.506 188 H GLU 28 H GLU 28 9.896 2.282 7.311 189 HA GLU 28 HA GLU 28 10.198 3.289 4.711 190 HB2 GLU 28 2HB GLU 28 12.125 2.881 6.086 191 HB3 GLU 28 1HB GLU 28 11.730 1.177 6.241 192 HG2 GLU 28 2HG GLU 28 13.572 1.450 4.722 193 HG3 GLU 28 1HG GLU 28 12.157 0.895 3.828 194 H ASP 29 H ASP 29 9.447 -0.000 5.858 195 HA ASP 29 HA ASP 29 9.281 -1.010 3.176 196 HB2 ASP 29 2HB ASP 29 8.682 -2.202 5.869 197 HB3 ASP 29 1HB ASP 29 8.255 -3.045 4.382 198 H VAL 30 H VAL 30 7.026 0.234 5.541 199 HA VAL 30 HA VAL 30 4.680 -0.634 4.196 200 HB VAL 30 HB VAL 30 5.008 1.695 6.099 201 HG11 VAL 30 1HG1 VAL 30 2.570 1.430 6.452 202 HG12 VAL 30 2HG1 VAL 30 2.534 0.270 5.123 203 HG13 VAL 30 3HG1 VAL 30 2.978 1.950 4.817 204 HG21 VAL 30 3HG2 VAL 30 4.137 0.145 7.785 205 HG22 VAL 30 1HG2 VAL 30 5.654 -0.433 7.097 206 HG23 VAL 30 2HG2 VAL 30 4.125 -1.148 6.585 207 H ARG 31 H ARG 31 6.712 2.250 3.906 208 HA ARG 31 HA ARG 31 4.918 3.515 2.079 209 HE ARG 31 HE ARG 31 10.882 4.351 2.546 210 HB2 ARG 31 2HB ARG 31 6.591 5.153 1.686 211 HB3 ARG 31 1HB ARG 31 6.585 4.785 3.399 212 HG2 ARG 31 2HG ARG 31 8.592 3.439 3.136 213 HG3 ARG 31 1HG ARG 31 8.587 3.761 1.397 214 HD2 ARG 31 2HD ARG 31 8.783 6.159 1.848 215 HD3 ARG 31 1HD ARG 31 8.801 5.830 3.579 216 HH11 ARG 31 1HH1 ARG 31 9.942 7.724 2.527 217 HH12 ARG 31 2HH1 ARG 31 11.571 8.318 2.524 218 HH21 ARG 31 2HH2 ARG 31 13.336 6.836 2.517 219 HH22 ARG 31 1HH2 ARG 31 13.031 5.120 2.560 220 H LYS 32 H LYS 32 7.490 1.185 1.751 221 HA LYS 32 HA LYS 32 7.890 1.294 -1.017 222 HB2 LYS 32 2HB LYS 32 7.866 -1.138 0.786 223 HB3 LYS 32 1HB LYS 32 8.493 -1.109 -0.854 224 HG2 LYS 32 2HG LYS 32 10.238 0.416 -0.217 225 HG3 LYS 32 1HG LYS 32 9.557 0.573 1.403 226 HD2 LYS 32 2HD LYS 32 9.913 -1.891 1.695 227 HD3 LYS 32 1HD LYS 32 10.788 -1.881 0.162 228 HE2 LYS 32 2HE LYS 32 12.425 -0.350 1.059 229 HE3 LYS 32 1HE LYS 32 11.512 -0.199 2.560 230 HZ1 LYS 32 3HZ LYS 32 13.302 -1.718 2.907 231 HZ2 LYS 32 1HZ LYS 32 12.874 -2.632 1.544 232 HZ3 LYS 32 2HZ LYS 32 11.859 -2.607 2.904 233 H ILE 33 H ILE 33 5.524 -0.657 0.839 234 HA ILE 33 HA ILE 33 4.220 -1.633 -1.495 235 HB ILE 33 HB ILE 33 2.389 -2.351 -0.016 236 HG12 ILE 33 2HG1 ILE 33 3.991 -1.068 2.202 237 HG13 ILE 33 1HG1 ILE 33 2.473 -0.448 1.563 238 HG21 ILE 33 1HG2 ILE 33 5.138 -2.985 1.039 239 HG22 ILE 33 2HG2 ILE 33 4.346 -3.764 -0.330 240 HG23 ILE 33 3HG2 ILE 33 3.685 -3.952 1.295 241 HD11 ILE 33 3HD1 ILE 33 1.340 -2.483 2.301 242 HD12 ILE 33 1HD1 ILE 33 2.117 -1.636 3.640 243 HD13 ILE 33 2HD1 ILE 33 2.863 -3.081 2.956 244 H ALA 34 H ALA 34 3.820 1.193 0.500 245 HA ALA 34 HA ALA 34 1.382 2.126 -0.566 246 HB1 ALA 34 3HB ALA 34 3.686 3.757 0.511 247 HB2 ALA 34 1HB ALA 34 2.400 3.037 1.480 248 HB3 ALA 34 2HB ALA 34 2.020 4.302 0.312 249 H THR 35 H THR 35 4.694 2.331 -1.681 250 HA THR 35 HA THR 35 4.112 4.108 -3.849 251 HB THR 35 HB THR 35 6.493 2.272 -3.493 252 HG1 THR 35 1HG THR 35 6.255 3.753 -1.746 253 HG21 THR 35 3HG2 THR 35 7.646 3.811 -4.987 254 HG22 THR 35 1HG2 THR 35 6.189 4.791 -5.133 255 HG23 THR 35 2HG2 THR 35 6.216 3.150 -5.781 256 H ALA 36 H ALA 36 4.172 0.652 -3.342 257 HA ALA 36 HA ALA 36 4.004 -0.208 -6.011 258 HB1 ALA 36 3HB ALA 36 3.046 -2.270 -5.095 259 HB2 ALA 36 1HB ALA 36 2.836 -1.479 -3.535 260 HB3 ALA 36 2HB ALA 36 4.458 -1.746 -4.176 261 H LEU 37 H LEU 37 1.666 1.203 -3.853 262 HA LEU 37 HA LEU 37 -0.697 0.572 -5.231 263 HG LEU 37 HG LEU 37 0.457 1.419 -2.223 264 HB2 LEU 37 2HB LEU 37 -0.122 3.164 -3.796 265 HB3 LEU 37 1HB LEU 37 -1.688 2.434 -4.082 266 HD11 LEU 37 1HD1 LEU 37 -1.179 1.906 -0.476 267 HD12 LEU 37 2HD1 LEU 37 -2.291 2.542 -1.690 268 HD13 LEU 37 3HD1 LEU 37 -0.757 3.358 -1.385 269 HD21 LEU 37 3HD2 LEU 37 -1.177 -0.295 -1.570 270 HD22 LEU 37 1HD2 LEU 37 -0.687 -0.458 -3.257 271 HD23 LEU 37 2HD2 LEU 37 -2.252 0.250 -2.857 272 H LEU 38 H LEU 38 1.603 3.238 -5.573 273 HA LEU 38 HA LEU 38 0.197 4.540 -7.676 274 HG LEU 38 HG LEU 38 0.740 6.732 -6.692 275 HB2 LEU 38 2HB LEU 38 3.007 4.741 -6.630 276 HB3 LEU 38 1HB LEU 38 2.515 5.614 -8.066 277 HD11 LEU 38 1HD1 LEU 38 0.543 5.122 -4.894 278 HD12 LEU 38 2HD1 LEU 38 0.997 6.701 -4.252 279 HD13 LEU 38 3HD1 LEU 38 2.210 5.430 -4.406 280 HD21 LEU 38 3HD2 LEU 38 2.295 8.272 -5.589 281 HD22 LEU 38 1HD2 LEU 38 2.837 7.847 -7.213 282 HD23 LEU 38 2HD2 LEU 38 3.598 7.104 -5.806 283 H LYS 39 H LYS 39 2.425 1.907 -7.531 284 HA LYS 39 HA LYS 39 3.192 1.972 -10.291 285 HB2 LYS 39 2HB LYS 39 4.331 0.849 -8.195 286 HB3 LYS 39 1HB LYS 39 3.295 -0.506 -8.612 287 HG2 LYS 39 2HG LYS 39 5.245 -1.034 -9.709 288 HG3 LYS 39 1HG LYS 39 4.325 -0.229 -10.980 289 HD2 LYS 39 2HD LYS 39 6.119 1.413 -9.261 290 HD3 LYS 39 1HD LYS 39 6.843 0.394 -10.501 291 HE2 LYS 39 2HE LYS 39 4.627 2.346 -11.075 292 HE3 LYS 39 1HE LYS 39 6.333 2.785 -11.160 293 HZ1 LYS 39 3HZ LYS 39 6.592 0.907 -12.767 294 HZ2 LYS 39 1HZ LYS 39 5.649 2.199 -13.332 295 HZ3 LYS 39 2HZ LYS 39 4.906 0.766 -12.807 296 H THR 40 H THR 40 0.408 0.943 -8.599 297 HA THR 40 HA THR 40 -0.316 -0.908 -10.767 298 HB THR 40 HB THR 40 -1.828 -1.977 -9.026 299 HG1 THR 40 1HG THR 40 -0.086 -0.885 -7.095 300 HG21 THR 40 3HG2 THR 40 1.151 -2.088 -8.561 301 HG22 THR 40 1HG2 THR 40 0.271 -3.000 -9.787 302 HG23 THR 40 2HG2 THR 40 -0.019 -3.313 -8.074 303 H ALA 41 H ALA 41 -1.797 1.241 -8.321 304 HA ALA 41 HA ALA 41 -4.349 1.196 -9.646 305 HB1 ALA 41 3HB ALA 41 -5.078 2.707 -7.886 306 HB2 ALA 41 1HB ALA 41 -3.407 2.936 -7.368 307 HB3 ALA 41 2HB ALA 41 -4.172 1.357 -7.204 308 H ILE 42 H ILE 42 -1.529 3.144 -9.816 309 HA ILE 42 HA ILE 42 -2.920 5.263 -11.269 310 HB ILE 42 HB ILE 42 0.056 5.016 -10.797 311 HG12 ILE 42 2HG1 ILE 42 -1.090 5.038 -8.626 312 HG13 ILE 42 1HG1 ILE 42 -0.227 6.544 -8.893 313 HG21 ILE 42 1HG2 ILE 42 -1.695 7.369 -11.481 314 HG22 ILE 42 2HG2 ILE 42 -0.578 6.544 -12.568 315 HG23 ILE 42 3HG2 ILE 42 0.041 7.440 -11.180 316 HD11 ILE 42 3HD1 ILE 42 -2.387 6.938 -7.877 317 HD12 ILE 42 1HD1 ILE 42 -3.183 6.127 -9.224 318 HD13 ILE 42 2HD1 ILE 42 -2.318 7.641 -9.494 319 H GLU 43 H GLU 43 -3.423 4.704 -13.313 320 HA GLU 43 HA GLU 43 -1.359 3.341 -14.885 321 HB2 GLU 43 2HB GLU 43 -2.972 1.662 -14.083 322 HB3 GLU 43 1HB GLU 43 -4.280 2.559 -14.841 323 HG2 GLU 43 2HG GLU 43 -3.572 2.017 -16.988 324 HG3 GLU 43 1HG GLU 43 -1.954 1.572 -16.445 325 H ILE 44 H ILE 44 -1.172 3.986 -16.923 326 HA ILE 44 HA ILE 44 -2.570 6.431 -17.611 327 HB ILE 44 HB ILE 44 -0.191 6.563 -17.723 328 HG12 ILE 44 2HG1 ILE 44 -1.697 7.497 -19.682 329 HG13 ILE 44 1HG1 ILE 44 0.058 7.621 -19.741 330 HG21 ILE 44 1HG2 ILE 44 -0.222 4.218 -19.613 331 HG22 ILE 44 2HG2 ILE 44 0.308 4.195 -17.932 332 HG23 ILE 44 3HG2 ILE 44 1.199 5.143 -19.120 333 HD11 ILE 44 3HD1 ILE 44 -0.835 6.937 -21.886 334 HD12 ILE 44 1HD1 ILE 44 -1.624 5.547 -21.139 335 HD13 ILE 44 2HD1 ILE 44 0.137 5.643 -21.185 336 H VAL 45 H VAL 45 -4.241 6.444 -18.914 337 HA VAL 45 HA VAL 45 -4.605 4.251 -20.813 338 HB VAL 45 HB VAL 45 -6.852 5.322 -21.240 339 HG11 VAL 45 1HG1 VAL 45 -7.843 4.472 -19.151 340 HG12 VAL 45 2HG1 VAL 45 -6.232 4.400 -18.438 341 HG13 VAL 45 3HG1 VAL 45 -6.632 3.376 -19.817 342 HG21 VAL 45 3HG2 VAL 45 -7.720 6.874 -19.557 343 HG22 VAL 45 1HG2 VAL 45 -6.357 7.573 -20.432 344 HG23 VAL 45 2HG2 VAL 45 -6.127 6.943 -18.800 345 H SER 46 H SER 46 -3.662 4.511 -22.680 346 HA SER 46 HA SER 46 -2.726 7.048 -23.579 347 HG SER 46 HG SER 46 -3.453 3.868 -25.279 348 HB2 SER 46 2HB SER 46 -2.046 5.590 -25.608 349 HB3 SER 46 1HB SER 46 -1.299 5.248 -24.045 350 H GLU 47 H GLU 47 -3.572 8.394 -25.033 351 HA GLU 47 HA GLU 47 -6.199 7.854 -26.097 352 HB2 GLU 47 2HB GLU 47 -4.325 10.199 -26.477 353 HB3 GLU 47 1HB GLU 47 -5.966 10.122 -27.105 354 HG2 GLU 47 2HG GLU 47 -5.268 9.940 -24.186 355 HG3 GLU 47 1HG GLU 47 -5.717 11.432 -25.009 356 H GLU 48 H GLU 48 -6.701 7.466 -28.234 357 HA GLU 48 HA GLU 48 -4.844 5.975 -29.713 358 HB2 GLU 48 2HB GLU 48 -7.331 5.784 -29.842 359 HB3 GLU 48 1HB GLU 48 -7.354 7.280 -30.763 360 HG2 GLU 48 2HG GLU 48 -6.121 6.284 -32.544 361 HG3 GLU 48 1HG GLU 48 -5.851 4.820 -31.598 362 H ASP 49 H ASP 49 -5.621 9.340 -29.726 363 HA ASP 49 HA ASP 49 -4.548 10.121 -32.194 364 HB2 ASP 49 2HB ASP 49 -4.602 11.665 -29.593 365 HB3 ASP 49 1HB ASP 49 -4.345 12.359 -31.191 366 H GLY 50 H GLY 50 -3.005 9.031 -29.330 367 HA2 GLY 50 2HA GLY 50 -0.639 8.476 -29.435 368 HA3 GLY 50 1HA GLY 50 -0.396 9.950 -30.365 369 H GLY 51 H GLY 51 -2.587 10.120 -27.743 370 HA2 GLY 51 2HA GLY 51 -0.596 11.619 -26.203 371 HA3 GLY 51 1HA GLY 51 -2.339 11.845 -26.102 372 H ALA 52 H ALA 52 -1.896 11.620 -23.778 373 HA ALA 52 HA ALA 52 -2.242 8.912 -22.888 374 HB1 ALA 52 3HB ALA 52 0.179 8.953 -23.233 375 HB2 ALA 52 1HB ALA 52 -0.231 8.771 -21.528 376 HB3 ALA 52 2HB ALA 52 0.309 10.333 -22.142 377 H HIS 53 H HIS 53 -3.627 9.003 -21.259 378 HA HIS 53 HA HIS 53 -3.430 11.268 -19.380 379 HD1 HIS 53 1HD HIS 53 -4.890 13.224 -19.698 380 HD2 HIS 53 2HD HIS 53 -7.206 10.696 -22.052 381 HE1 HIS 53 1HE HIS 53 -6.012 14.707 -21.392 382 HE2 HIS 53 2HE HIS 53 -7.583 13.183 -22.639 383 HB2 HIS 53 2HB HIS 53 -5.808 9.535 -20.084 384 HB3 HIS 53 1HB HIS 53 -5.782 10.620 -18.702 385 H ASN 54 H ASN 54 -2.281 10.637 -17.653 386 HA ASN 54 HA ASN 54 -2.287 7.869 -16.799 387 HB2 ASN 54 2HB ASN 54 -0.222 9.279 -16.708 388 HB3 ASN 54 1HB ASN 54 -0.999 10.273 -15.477 389 HD21 ASN 54 2HD2 ASN 54 0.691 8.237 -13.212 390 HD22 ASN 54 1HD2 ASN 54 0.592 9.786 -13.971 391 H GLN 55 H GLN 55 -4.015 7.151 -15.671 392 HA GLN 55 HA GLN 55 -5.457 9.169 -14.093 393 HB2 GLN 55 2HB GLN 55 -6.517 6.719 -15.493 394 HB3 GLN 55 1HB GLN 55 -7.469 7.746 -14.430 395 HG2 GLN 55 2HG GLN 55 -6.957 9.655 -15.960 396 HG3 GLN 55 1HG GLN 55 -6.230 8.491 -17.067 397 HE21 GLN 55 2HE2 GLN 55 -9.673 6.879 -17.150 398 HE22 GLN 55 1HE2 GLN 55 -8.212 6.428 -16.339 399 H CYS 56 H CYS 56 -5.840 8.872 -12.041 400 HA CYS 56 HA CYS 56 -5.289 6.271 -10.817 401 HG CYS 56 HG CYS 56 -6.655 9.920 -10.691 402 HB2 CYS 56 2HB CYS 56 -5.659 7.557 -8.667 403 HB3 CYS 56 1HB CYS 56 -4.271 8.082 -9.614 404 H LYS 57 H LYS 57 -6.969 5.011 -10.041 405 HA LYS 57 HA LYS 57 -9.577 5.806 -11.007 406 HB2 LYS 57 2HB LYS 57 -8.322 3.482 -11.219 407 HB3 LYS 57 1HB LYS 57 -9.023 3.198 -9.637 408 HG2 LYS 57 2HG LYS 57 -11.255 3.518 -10.537 409 HG3 LYS 57 1HG LYS 57 -10.577 3.914 -12.119 410 HD2 LYS 57 2HD LYS 57 -9.504 1.630 -12.100 411 HD3 LYS 57 1HD LYS 57 -10.480 1.268 -10.677 412 HE2 LYS 57 2HE LYS 57 -11.576 0.417 -12.653 413 HE3 LYS 57 1HE LYS 57 -12.515 1.751 -11.986 414 HZ1 LYS 57 3HZ LYS 57 -12.289 1.832 -14.425 415 HZ2 LYS 57 1HZ LYS 57 -10.611 2.001 -14.254 416 HZ3 LYS 57 2HZ LYS 57 -11.657 3.207 -13.668 417 H LEU 58 H LEU 58 -10.374 3.799 -8.695 418 HA LEU 58 HA LEU 58 -11.258 3.883 -6.608 419 HG LEU 58 HG LEU 58 -10.960 5.012 -4.155 420 HB2 LEU 58 2HB LEU 58 -8.818 4.903 -6.276 421 HB3 LEU 58 1HB LEU 58 -9.741 6.341 -5.885 422 HD11 LEU 58 1HD1 LEU 58 -10.636 2.801 -5.058 423 HD12 LEU 58 2HD1 LEU 58 -9.919 2.884 -3.448 424 HD13 LEU 58 3HD1 LEU 58 -8.888 2.949 -4.880 425 HD21 LEU 58 3HD2 LEU 58 -7.959 5.118 -3.861 426 HD22 LEU 58 1HD2 LEU 58 -9.129 5.021 -2.546 427 HD23 LEU 58 2HD2 LEU 58 -9.071 6.456 -3.570 428 H CYS 59 H CYS 59 -10.721 7.290 -7.511 429 HA CYS 59 HA CYS 59 -13.603 7.755 -7.105 430 HG CYS 59 HG CYS 59 -10.828 11.159 -7.460 431 HB2 CYS 59 2HB CYS 59 -13.008 10.103 -6.595 432 HB3 CYS 59 1HB CYS 59 -12.297 8.968 -5.454 433 H GLY 60 H GLY 60 -11.033 7.701 -9.305 434 HA2 GLY 60 2HA GLY 60 -11.150 7.948 -11.618 435 HA3 GLY 60 1HA GLY 60 -12.758 8.631 -11.436 436 H ALA 61 H ALA 61 -9.338 9.393 -10.833 437 HA ALA 61 HA ALA 61 -9.921 12.157 -11.689 438 HB1 ALA 61 3HB ALA 61 -9.585 12.100 -9.263 439 HB2 ALA 61 1HB ALA 61 -8.305 12.999 -10.077 440 HB3 ALA 61 2HB ALA 61 -8.001 11.359 -9.500 441 H SER 62 H SER 62 -8.306 13.172 -12.948 442 HA SER 62 HA SER 62 -6.483 11.256 -14.205 443 HG SER 62 HG SER 62 -8.913 11.905 -15.075 444 HB2 SER 62 2HB SER 62 -7.513 13.917 -15.221 445 HB3 SER 62 1HB SER 62 -6.465 12.817 -16.119 446 H VAL 63 H VAL 63 -4.336 11.698 -14.578 447 HA VAL 63 HA VAL 63 -3.169 14.050 -13.241 448 HB VAL 63 HB VAL 63 -2.247 11.171 -13.024 449 HG11 VAL 63 1HG1 VAL 63 -0.394 11.988 -11.662 450 HG12 VAL 63 2HG1 VAL 63 -0.890 13.651 -11.977 451 HG13 VAL 63 3HG1 VAL 63 -0.319 12.636 -13.301 452 HG21 VAL 63 3HG2 VAL 63 -3.161 13.122 -10.914 453 HG22 VAL 63 1HG2 VAL 63 -2.563 11.490 -10.617 454 HG23 VAL 63 2HG2 VAL 63 -4.066 11.729 -11.508 455 HA PRO 64 HA PRO 64 -0.887 14.605 -17.092 456 HB2 PRO 64 1HB PRO 64 0.634 16.281 -16.621 457 HB3 PRO 64 2HB PRO 64 1.208 15.482 -15.152 458 HG2 PRO 64 2HG PRO 64 -0.127 17.152 -14.231 459 HG3 PRO 64 1HG PRO 64 -1.275 17.107 -15.582 460 HD2 PRO 64 2HD PRO 64 -1.045 15.296 -13.224 461 HD3 PRO 64 1HD PRO 64 -2.493 15.835 -14.098 462 H TRP 65 H TRP 65 0.240 13.138 -18.179 463 HA TRP 65 HA TRP 65 1.111 10.764 -16.943 464 HD1 TRP 65 HD TRP 65 3.002 10.840 -21.365 465 HE1 TRP 65 1HE TRP 65 4.471 8.731 -21.450 466 HE3 TRP 65 3HE TRP 65 1.461 8.593 -17.035 467 HZ2 TRP 65 2HZ TRP 65 4.925 6.428 -19.895 468 HZ3 TRP 65 3HZ TRP 65 2.461 6.432 -16.408 469 HH2 TRP 65 HH TRP 65 4.158 5.373 -17.813 470 HB2 TRP 65 2HB TRP 65 0.295 10.579 -19.143 471 HB3 TRP 65 1HB TRP 65 1.347 11.858 -19.734 472 H LEU 66 H LEU 66 2.924 13.561 -18.125 473 HA LEU 66 HA LEU 66 5.429 12.148 -17.716 474 HG LEU 66 HG LEU 66 5.473 12.316 -20.100 475 HB2 LEU 66 2HB LEU 66 4.863 14.915 -18.763 476 HB3 LEU 66 1HB LEU 66 6.471 14.239 -18.593 477 HD11 LEU 66 1HD1 LEU 66 3.196 13.177 -20.133 478 HD12 LEU 66 2HD1 LEU 66 3.896 13.169 -21.754 479 HD13 LEU 66 3HD1 LEU 66 3.771 14.681 -20.855 480 HD21 LEU 66 3HD2 LEU 66 6.329 13.484 -22.062 481 HD22 LEU 66 1HD2 LEU 66 7.383 13.707 -20.665 482 HD23 LEU 66 2HD2 LEU 66 6.300 15.005 -21.169 483 H GLN 67 H GLN 67 3.824 12.741 -15.383 484 HA GLN 67 HA GLN 67 5.931 14.075 -13.868 485 HB2 GLN 67 2HB GLN 67 3.970 15.670 -14.445 486 HB3 GLN 67 1HB GLN 67 3.051 14.725 -13.282 487 HG2 GLN 67 2HG GLN 67 4.572 15.307 -11.521 488 HG3 GLN 67 1HG GLN 67 5.646 16.116 -12.661 489 HE21 GLN 67 2HE2 GLN 67 2.395 18.004 -11.162 490 HE22 GLN 67 1HE2 GLN 67 2.728 16.336 -10.822 491 H THR 68 H THR 68 6.062 13.361 -11.703 492 HA THR 68 HA THR 68 5.315 10.672 -11.284 493 HB THR 68 HB THR 68 7.327 11.687 -10.262 494 HG1 THR 68 1HG THR 68 5.363 10.471 -8.610 495 HG21 THR 68 3HG2 THR 68 6.368 13.868 -9.651 496 HG22 THR 68 1HG2 THR 68 7.114 13.081 -8.260 497 HG23 THR 68 2HG2 THR 68 5.359 13.084 -8.434 498 H GLY 69 H GLY 69 3.479 13.410 -11.045 499 HA2 GLY 69 2HA GLY 69 1.098 12.552 -10.324 500 HA3 GLY 69 1HA GLY 69 1.891 12.575 -8.751 501 H ASP 70 H ASP 70 -0.289 14.229 -10.183 502 HA ASP 70 HA ASP 70 0.881 16.885 -9.957 503 HB2 ASP 70 2HB ASP 70 -0.755 16.251 -11.793 504 HB3 ASP 70 1HB ASP 70 -2.003 16.195 -10.552 505 H GLU 71 H GLU 71 -0.536 14.614 -7.998 506 HA GLU 71 HA GLU 71 -1.495 14.533 -5.986 507 HB2 GLU 71 2HB GLU 71 -0.136 17.213 -5.717 508 HB3 GLU 71 1HB GLU 71 -0.765 16.242 -4.400 509 HG2 GLU 71 2HG GLU 71 1.416 15.392 -6.281 510 HG3 GLU 71 1HG GLU 71 1.658 15.984 -4.639 511 H ILE 72 H ILE 72 -3.062 15.520 -8.119 512 HA ILE 72 HA ILE 72 -4.829 17.555 -7.493 513 HB ILE 72 HB ILE 72 -4.901 16.364 -9.622 514 HG12 ILE 72 2HG1 ILE 72 -7.491 16.021 -8.093 515 HG13 ILE 72 1HG1 ILE 72 -6.960 17.491 -8.901 516 HG21 ILE 72 1HG2 ILE 72 -5.896 13.997 -8.042 517 HG22 ILE 72 2HG2 ILE 72 -4.341 14.135 -8.863 518 HG23 ILE 72 3HG2 ILE 72 -5.833 14.100 -9.802 519 HD11 ILE 72 3HD1 ILE 72 -7.537 14.874 -10.274 520 HD12 ILE 72 1HD1 ILE 72 -7.101 16.394 -11.054 521 HD13 ILE 72 2HD1 ILE 72 -8.634 16.253 -10.193 522 H LYS 73 H LYS 73 -6.736 17.645 -6.248 523 HA LYS 73 HA LYS 73 -6.663 16.310 -3.801 524 HB2 LYS 73 2HB LYS 73 -8.849 17.860 -5.156 525 HB3 LYS 73 1HB LYS 73 -9.093 17.112 -3.587 526 HG2 LYS 73 2HG LYS 73 -6.917 18.421 -2.956 527 HG3 LYS 73 1HG LYS 73 -7.372 19.419 -4.341 528 HD2 LYS 73 2HD LYS 73 -9.580 19.782 -3.358 529 HD3 LYS 73 1HD LYS 73 -9.140 18.776 -1.979 530 HE2 LYS 73 2HE LYS 73 -7.254 20.391 -1.548 531 HE3 LYS 73 1HE LYS 73 -7.974 21.439 -2.769 532 HZ1 LYS 73 3HZ LYS 73 -10.061 21.349 -1.399 533 HZ2 LYS 73 1HZ LYS 73 -8.759 22.168 -0.678 534 HZ3 LYS 73 2HZ LYS 73 -9.156 20.596 -0.180 535 H HIS 74 H HIS 74 -7.696 14.614 -2.945 536 HA HIS 74 HA HIS 74 -9.449 13.022 -4.690 537 HD1 HIS 74 1HD HIS 74 -5.497 12.878 -4.599 538 HD2 HIS 74 2HD HIS 74 -8.281 10.153 -6.051 539 HE1 HIS 74 1HE HIS 74 -4.539 12.020 -6.758 540 HE2 HIS 74 2HE HIS 74 -6.297 10.468 -7.680 541 HB2 HIS 74 2HB HIS 74 -7.264 12.061 -2.836 542 HB3 HIS 74 1HB HIS 74 -8.539 11.003 -3.423 543 H ALA 75 H ALA 75 -10.684 11.372 -3.161 544 HA ALA 75 HA ALA 75 -12.227 12.986 -1.420 545 HB1 ALA 75 3HB ALA 75 -13.481 10.956 -0.942 546 HB2 ALA 75 1HB ALA 75 -12.229 9.985 -1.720 547 HB3 ALA 75 2HB ALA 75 -13.192 11.113 -2.675 548 H ASP 76 H ASP 76 -12.423 12.934 0.781 549 HA ASP 76 HA ASP 76 -10.108 12.558 2.338 550 HB2 ASP 76 2HB ASP 76 -12.972 12.717 3.309 551 HB3 ASP 76 1HB ASP 76 -11.526 13.126 4.212 552 H ASP 77 H ASP 77 -12.499 10.451 1.260 553 HA ASP 77 HA ASP 77 -12.263 8.518 3.407 554 HB2 ASP 77 2HB ASP 77 -14.430 9.121 2.220 555 HB3 ASP 77 1HB ASP 77 -13.798 8.275 0.815 556 H CYS 78 H CYS 78 -10.400 9.306 0.830 557 HA CYS 78 HA CYS 78 -9.943 6.649 -0.218 558 HG CYS 78 HG CYS 78 -11.393 8.037 -1.925 559 HB2 CYS 78 2HB CYS 78 -8.612 9.300 -0.799 560 HB3 CYS 78 1HB CYS 78 -8.200 7.790 -1.606 561 HA PRO 79 HA PRO 79 -6.906 5.594 2.875 562 HB2 PRO 79 1HB PRO 79 -6.699 3.335 2.573 563 HB3 PRO 79 2HB PRO 79 -6.184 3.519 0.894 564 HG2 PRO 79 2HG PRO 79 -8.329 2.698 0.551 565 HG3 PRO 79 1HG PRO 79 -8.952 3.449 2.034 566 HD2 PRO 79 2HD PRO 79 -8.406 4.685 -0.638 567 HD3 PRO 79 1HD PRO 79 -9.765 4.956 0.474 568 H VAL 80 H VAL 80 -6.331 6.401 -0.416 569 HA VAL 80 HA VAL 80 -3.560 6.095 -0.624 570 HB VAL 80 HB VAL 80 -5.226 8.254 -1.931 571 HG11 VAL 80 1HG1 VAL 80 -3.525 8.136 -3.708 572 HG12 VAL 80 2HG1 VAL 80 -2.613 6.979 -2.739 573 HG13 VAL 80 3HG1 VAL 80 -2.837 8.630 -2.161 574 HG21 VAL 80 3HG2 VAL 80 -4.662 5.443 -2.866 575 HG22 VAL 80 1HG2 VAL 80 -5.510 6.688 -3.785 576 HG23 VAL 80 2HG2 VAL 80 -6.216 6.054 -2.299 577 H VAL 81 H VAL 81 -5.494 8.587 0.906 578 HA VAL 81 HA VAL 81 -3.497 10.563 1.172 579 HB VAL 81 HB VAL 81 -5.807 10.003 3.045 580 HG11 VAL 81 1HG1 VAL 81 -4.170 11.488 4.042 581 HG12 VAL 81 2HG1 VAL 81 -5.632 12.382 3.622 582 HG13 VAL 81 3HG1 VAL 81 -4.196 12.514 2.608 583 HG21 VAL 81 3HG2 VAL 81 -5.677 11.755 0.591 584 HG22 VAL 81 1HG2 VAL 81 -7.021 11.703 1.735 585 HG23 VAL 81 2HG2 VAL 81 -6.617 10.276 0.783 586 H ILE 82 H ILE 82 -4.399 7.798 3.177 587 HA ILE 82 HA ILE 82 -2.684 8.345 5.356 588 HB ILE 82 HB ILE 82 -3.733 5.676 4.388 589 HG12 ILE 82 2HG1 ILE 82 -5.523 7.269 4.883 590 HG13 ILE 82 1HG1 ILE 82 -5.481 5.986 6.089 591 HG21 ILE 82 1HG2 ILE 82 -1.847 5.361 5.876 592 HG22 ILE 82 2HG2 ILE 82 -3.341 4.910 6.696 593 HG23 ILE 82 3HG2 ILE 82 -2.568 6.452 7.062 594 HD11 ILE 82 3HD1 ILE 82 -4.360 8.761 6.426 595 HD12 ILE 82 1HD1 ILE 82 -4.344 7.482 7.640 596 HD13 ILE 82 2HD1 ILE 82 -5.878 8.165 7.100 597 H ALA 83 H ALA 83 -2.307 6.338 2.463 598 HA ALA 83 HA ALA 83 0.204 5.261 3.026 599 HB1 ALA 83 3HB ALA 83 -1.231 4.448 1.229 600 HB2 ALA 83 1HB ALA 83 0.377 4.851 0.626 601 HB3 ALA 83 2HB ALA 83 -0.971 5.948 0.337 602 H LYS 84 H LYS 84 -0.688 8.323 1.513 603 HA LYS 84 HA LYS 84 1.925 9.082 0.750 604 HB2 LYS 84 2HB LYS 84 -0.598 10.650 1.231 605 HB3 LYS 84 1HB LYS 84 0.903 11.426 0.745 606 HG2 LYS 84 2HG LYS 84 0.957 10.131 -1.293 607 HG3 LYS 84 1HG LYS 84 -0.493 9.254 -0.799 608 HD2 LYS 84 2HD LYS 84 -1.829 11.226 -0.947 609 HD3 LYS 84 1HD LYS 84 -0.401 12.241 -1.161 610 HE2 LYS 84 2HE LYS 84 -1.285 10.098 -3.089 611 HE3 LYS 84 1HE LYS 84 -1.648 11.814 -3.266 612 HZ1 LYS 84 3HZ LYS 84 1.072 10.620 -3.211 613 HZ2 LYS 84 1HZ LYS 84 0.726 12.275 -3.351 614 HZ3 LYS 84 2HZ LYS 84 0.271 11.209 -4.580 615 H GLN 85 H GLN 85 0.045 9.639 3.701 616 HA GLN 85 HA GLN 85 1.794 11.366 5.006 617 HB2 GLN 85 2HB GLN 85 0.007 9.202 6.120 618 HB3 GLN 85 1HB GLN 85 0.789 10.433 7.086 619 HG2 GLN 85 2HG GLN 85 -0.449 12.167 5.883 620 HG3 GLN 85 1HG GLN 85 -1.247 10.913 4.932 621 HE21 GLN 85 2HE2 GLN 85 -3.814 11.174 7.281 622 HE22 GLN 85 1HE2 GLN 85 -3.282 11.521 5.673 623 H ILE 86 H ILE 86 1.701 7.850 4.871 624 HA ILE 86 HA ILE 86 3.769 7.307 6.681 625 HB ILE 86 HB ILE 86 2.851 5.676 4.308 626 HG12 ILE 86 2HG1 ILE 86 2.058 5.500 7.223 627 HG13 ILE 86 1HG1 ILE 86 1.085 6.262 5.970 628 HG21 ILE 86 1HG2 ILE 86 3.815 3.762 5.515 629 HG22 ILE 86 2HG2 ILE 86 4.446 4.866 6.736 630 HG23 ILE 86 3HG2 ILE 86 5.040 4.953 5.076 631 HD11 ILE 86 3HD1 ILE 86 0.298 4.020 6.495 632 HD12 ILE 86 1HD1 ILE 86 1.874 3.361 6.055 633 HD13 ILE 86 2HD1 ILE 86 0.866 4.130 4.830 634 H LEU 87 H LEU 87 3.851 7.598 3.118 635 HA LEU 87 HA LEU 87 6.654 7.070 3.016 636 HG LEU 87 HG LEU 87 3.684 8.484 1.340 637 HB2 LEU 87 2HB LEU 87 6.492 7.722 0.637 638 HB3 LEU 87 1HB LEU 87 5.354 6.481 1.111 639 HD11 LEU 87 1HD1 LEU 87 5.324 10.254 1.012 640 HD12 LEU 87 2HD1 LEU 87 4.107 10.269 -0.263 641 HD13 LEU 87 3HD1 LEU 87 5.711 9.609 -0.583 642 HD21 LEU 87 3HD2 LEU 87 3.442 6.654 -0.236 643 HD22 LEU 87 1HD2 LEU 87 4.601 7.417 -1.325 644 HD23 LEU 87 2HD2 LEU 87 3.049 8.191 -1.007 645 H SER 88 H SER 88 4.848 9.862 3.725 646 HA SER 88 HA SER 88 6.842 11.763 2.943 647 HG SER 88 HG SER 88 3.834 11.736 2.654 648 HB2 SER 88 2HB SER 88 4.456 11.994 4.789 649 HB3 SER 88 1HB SER 88 5.482 13.342 4.311 650 H SER 89 H SER 89 5.997 10.006 5.888 651 HA SER 89 HA SER 89 7.065 9.723 7.884 652 HG SER 89 HG SER 89 9.070 9.246 8.779 653 HB2 SER 89 2HB SER 89 8.943 9.105 6.304 654 HB3 SER 89 1HB SER 89 9.529 10.759 6.451 655 H ARG 90 H ARG 90 5.757 12.212 7.271 656 HA ARG 90 HA ARG 90 7.205 14.097 8.980 657 HE ARG 90 HE ARG 90 9.222 17.129 6.488 658 HB2 ARG 90 2HB ARG 90 7.878 14.672 6.727 659 HB3 ARG 90 1HB ARG 90 6.214 14.622 6.171 660 HG2 ARG 90 2HG ARG 90 5.693 16.595 7.497 661 HG3 ARG 90 1HG ARG 90 7.347 16.626 8.115 662 HD2 ARG 90 2HD ARG 90 6.568 16.876 5.209 663 HD3 ARG 90 1HD ARG 90 6.999 18.221 6.266 664 HH11 ARG 90 1HH1 ARG 90 7.210 16.428 3.704 665 HH12 ARG 90 2HH1 ARG 90 8.553 16.021 2.682 666 HH21 ARG 90 2HH2 ARG 90 10.697 16.127 3.477 667 HH22 ARG 90 1HH2 ARG 90 11.001 16.607 5.125 668 HA PRO 91 HA PRO 91 3.123 14.778 10.721 669 HB2 PRO 91 1HB PRO 91 3.434 16.438 12.283 670 HB3 PRO 91 2HB PRO 91 4.168 17.538 11.111 671 HG2 PRO 91 2HG PRO 91 6.059 16.865 12.294 672 HG3 PRO 91 1HG PRO 91 5.403 15.244 12.593 673 HD2 PRO 91 2HD PRO 91 6.676 16.349 10.124 674 HD3 PRO 91 1HD PRO 91 6.814 14.728 10.835 675 H LYS 92 H LYS 92 1.619 14.850 9.166 676 HA LYS 92 HA LYS 92 1.737 16.922 7.128 677 HB2 LYS 92 2HB LYS 92 1.410 14.554 6.488 678 HB3 LYS 92 1HB LYS 92 -0.104 14.539 7.379 679 HG2 LYS 92 2HG LYS 92 -1.043 16.176 5.860 680 HG3 LYS 92 1HG LYS 92 0.493 16.272 4.991 681 HD2 LYS 92 2HD LYS 92 0.300 13.970 4.307 682 HD3 LYS 92 1HD LYS 92 -1.147 13.757 5.295 683 HE2 LYS 92 2HE LYS 92 -0.877 15.597 2.921 684 HE3 LYS 92 1HE LYS 92 -1.707 14.042 2.933 685 HZ1 LYS 92 3HZ LYS 92 -2.469 16.512 4.388 686 HZ2 LYS 92 1HZ LYS 92 -3.160 14.998 4.720 687 HZ3 LYS 92 2HZ LYS 92 -3.348 15.703 3.186 688 H LEU 93 H LEU 93 0.178 16.343 10.039 689 HA LEU 93 HA LEU 93 -2.193 17.860 9.391 690 HG LEU 93 HG LEU 93 -1.796 15.859 13.150 691 HB2 LEU 93 2HB LEU 93 -2.955 17.467 11.639 692 HB3 LEU 93 1HB LEU 93 -2.439 15.972 10.907 693 HD11 LEU 93 1HD1 LEU 93 0.629 15.748 13.154 694 HD12 LEU 93 2HD1 LEU 93 0.677 16.662 11.647 695 HD13 LEU 93 3HD1 LEU 93 -0.054 15.057 11.682 696 HD21 LEU 93 3HD2 LEU 93 -0.583 18.600 12.912 697 HD22 LEU 93 1HD2 LEU 93 -0.495 17.559 14.332 698 HD23 LEU 93 2HD2 LEU 93 -2.056 18.171 13.782 699 H HIS 94 H HIS 94 -2.695 19.893 10.041 700 HA HIS 94 HA HIS 94 -0.513 21.413 11.317 701 HD1 HIS 94 1HD HIS 94 -1.849 21.428 7.044 702 HD2 HIS 94 2HD HIS 94 1.517 22.256 9.348 703 HE1 HIS 94 1HE HIS 94 0.125 20.899 5.581 704 HE2 HIS 94 2HE HIS 94 2.127 21.654 6.907 705 HB2 HIS 94 2HB HIS 94 -2.438 22.434 9.217 706 HB3 HIS 94 1HB HIS 94 -1.166 23.365 9.996 707 H ALA 95 H ALA 95 -3.821 22.305 10.406 708 HA ALA 95 HA ALA 95 -4.458 22.604 13.264 709 HB1 ALA 95 3HB ALA 95 -5.672 24.679 12.736 710 HB2 ALA 95 1HB ALA 95 -5.097 24.576 11.072 711 HB3 ALA 95 2HB ALA 95 -3.948 24.810 12.391 712 H VAL 96 H VAL 96 -5.745 20.827 13.399 713 HA VAL 96 HA VAL 96 -7.969 20.589 11.490 714 HB VAL 96 HB VAL 96 -6.931 18.521 13.438 715 HG11 VAL 96 1HG1 VAL 96 -9.289 18.241 12.924 716 HG12 VAL 96 2HG1 VAL 96 -8.327 16.956 12.195 717 HG13 VAL 96 3HG1 VAL 96 -8.931 18.282 11.199 718 HG21 VAL 96 3HG2 VAL 96 -5.293 18.963 11.722 719 HG22 VAL 96 1HG2 VAL 96 -6.516 18.764 10.469 720 HG23 VAL 96 2HG2 VAL 96 -6.040 17.386 11.461 721 HA MET 1 HA MET 1 -22.049 5.395 -19.406 722 H1 MET 1 1H MET 1 -20.391 7.282 -17.837 723 H2 MET 1 2H MET 1 -20.916 7.527 -19.430 724 H3 MET 1 3H MET 1 -19.851 6.254 -19.076 725 HB2 MET 1 2HB MET 1 -21.128 5.389 -16.528 726 HB3 MET 1 1HB MET 1 -22.413 4.356 -17.136 727 HG2 MET 1 2HG MET 1 -20.850 3.319 -18.695 728 HG3 MET 1 1HG MET 1 -19.559 4.354 -18.087 729 HE1 MET 1 3HE MET 1 -19.473 1.097 -18.230 730 HE2 MET 1 1HE MET 1 -18.629 0.789 -16.710 731 HE3 MET 1 2HE MET 1 -18.129 2.129 -17.740 732 H GLY 2 H GLY 2 -22.102 7.483 -16.474 733 HA2 GLY 2 2HA GLY 2 -23.893 9.319 -16.999 734 HA3 GLY 2 1HA GLY 2 -24.955 7.921 -16.990 735 H SER 3 H SER 3 -24.586 6.502 -14.926 736 HA SER 3 HA SER 3 -25.848 7.814 -12.902 737 HG SER 3 HG SER 3 -26.345 4.469 -12.806 738 HB2 SER 3 2HB SER 3 -24.048 5.412 -12.544 739 HB3 SER 3 1HB SER 3 -25.389 5.887 -11.501 740 H SER 4 H SER 4 -22.532 6.632 -12.337 741 HA SER 4 HA SER 4 -20.777 7.465 -11.170 742 HG SER 4 HG SER 4 -21.527 9.658 -13.682 743 HB2 SER 4 2HB SER 4 -22.048 10.161 -11.710 744 HB3 SER 4 1HB SER 4 -20.383 9.882 -11.197 745 H HIS 5 H HIS 5 -20.168 8.831 -9.197 746 HA HIS 5 HA HIS 5 -20.368 9.386 -7.013 747 HD1 HIS 5 1HD HIS 5 -23.199 11.798 -9.208 748 HD2 HIS 5 2HD HIS 5 -20.536 12.023 -6.016 749 HE1 HIS 5 1HE HIS 5 -22.224 14.114 -9.296 750 HE2 HIS 5 2HE HIS 5 -20.759 14.286 -7.252 751 HB2 HIS 5 2HB HIS 5 -23.247 9.755 -7.808 752 HB3 HIS 5 1HB HIS 5 -22.713 9.978 -6.147 753 H HIS 6 H HIS 6 -21.055 8.616 -4.928 754 HA HIS 6 HA HIS 6 -22.625 6.206 -4.717 755 HD1 HIS 6 1HD HIS 6 -18.776 4.585 -6.248 756 HD2 HIS 6 2HD HIS 6 -22.746 3.799 -5.272 757 HE1 HIS 6 1HE HIS 6 -19.498 2.726 -7.775 758 HE2 HIS 6 2HE HIS 6 -21.832 2.131 -7.027 759 HB2 HIS 6 2HB HIS 6 -19.639 6.136 -4.524 760 HB3 HIS 6 1HB HIS 6 -20.568 5.157 -3.396 761 H HIS 7 H HIS 7 -23.137 5.719 -2.499 762 HA HIS 7 HA HIS 7 -22.163 7.716 -0.569 763 HD1 HIS 7 1HD HIS 7 -25.981 7.061 -2.780 764 HD2 HIS 7 2HD HIS 7 -25.742 5.517 1.080 765 HE1 HIS 7 1HE HIS 7 -27.852 5.386 -2.597 766 HE2 HIS 7 2HE HIS 7 -27.798 4.600 -0.200 767 HB2 HIS 7 2HB HIS 7 -24.371 7.938 0.426 768 HB3 HIS 7 1HB HIS 7 -24.428 8.378 -1.272 769 H HIS 8 H HIS 8 -22.648 7.068 1.719 770 HA HIS 8 HA HIS 8 -22.648 5.651 3.483 771 HD1 HIS 8 1HD HIS 8 -23.310 1.213 2.540 772 HD2 HIS 8 2HD HIS 8 -23.794 4.205 5.391 773 HE1 HIS 8 1HE HIS 8 -23.406 0.029 4.757 774 HE2 HIS 8 2HE HIS 8 -23.577 1.861 6.477 775 HB2 HIS 8 2HB HIS 8 -24.508 4.470 2.350 776 HB3 HIS 8 1HB HIS 8 -23.338 3.459 1.512 777 H HIS 9 H HIS 9 -20.371 5.942 1.340 778 HA HIS 9 HA HIS 9 -18.726 3.708 2.238 779 HD1 HIS 9 1HD HIS 9 -15.195 4.955 1.077 780 HD2 HIS 9 2HD HIS 9 -17.942 2.189 -0.397 781 HE1 HIS 9 1HE HIS 9 -13.861 2.904 0.491 782 HE2 HIS 9 2HE HIS 9 -15.578 1.169 -0.141 783 HB2 HIS 9 2HB HIS 9 -18.703 4.917 -0.152 784 HB3 HIS 9 1HB HIS 9 -17.522 5.936 0.667 785 H HIS 10 H HIS 10 -18.101 3.910 4.270 786 HA HIS 10 HA HIS 10 -17.160 6.534 5.216 787 HD1 HIS 10 1HD HIS 10 -18.707 8.242 7.204 788 HD2 HIS 10 2HD HIS 10 -17.599 4.776 9.226 789 HE1 HIS 10 1HE HIS 10 -18.159 8.965 9.550 790 HE2 HIS 10 2HE HIS 10 -17.715 6.824 10.806 791 HB2 HIS 10 2HB HIS 10 -19.425 5.984 6.060 792 HB3 HIS 10 1HB HIS 10 -18.793 4.500 6.757 793 H SER 11 H SER 11 -15.015 5.903 4.796 794 HA SER 11 HA SER 11 -13.845 4.332 6.951 795 HG SER 11 HG SER 11 -13.045 1.901 6.307 796 HB2 SER 11 2HB SER 11 -14.382 2.827 4.883 797 HB3 SER 11 1HB SER 11 -13.026 3.666 4.127 798 H SER 12 H SER 12 -13.945 7.077 6.269 799 HA SER 12 HA SER 12 -11.932 8.120 4.703 800 HG SER 12 HG SER 12 -14.762 8.875 6.335 801 HB2 SER 12 2HB SER 12 -12.877 9.385 7.276 802 HB3 SER 12 1HB SER 12 -12.336 10.196 5.807 803 H GLY 13 H GLY 13 -9.935 9.139 5.227 804 HA2 GLY 13 2HA GLY 13 -8.382 7.626 7.178 805 HA3 GLY 13 1HA GLY 13 -7.747 8.710 5.949 806 H ARG 14 H ARG 14 -6.463 9.237 8.010 807 HA ARG 14 HA ARG 14 -7.591 11.659 9.136 808 HE ARG 14 HE ARG 14 -9.071 8.304 12.191 809 HB2 ARG 14 2HB ARG 14 -7.171 11.001 11.447 810 HB3 ARG 14 1HB ARG 14 -8.321 9.896 10.703 811 HG2 ARG 14 2HG ARG 14 -6.348 8.362 10.271 812 HG3 ARG 14 1HG ARG 14 -5.424 9.416 11.344 813 HD2 ARG 14 2HD ARG 14 -6.284 7.513 12.575 814 HD3 ARG 14 1HD ARG 14 -7.056 8.998 13.132 815 HH11 ARG 14 1HH1 ARG 14 -6.500 6.017 11.537 816 HH12 ARG 14 2HH1 ARG 14 -7.565 4.758 10.983 817 HH21 ARG 14 2HH2 ARG 14 -9.843 5.112 10.982 818 HH22 ARG 14 1HH2 ARG 14 -10.485 6.642 11.500 819 H GLU 15 H GLU 15 -5.988 13.067 9.967 820 HA GLU 15 HA GLU 15 -3.257 12.422 9.115 821 HB2 GLU 15 2HB GLU 15 -4.186 15.083 10.194 822 HB3 GLU 15 1HB GLU 15 -2.826 14.752 9.132 823 HG2 GLU 15 2HG GLU 15 -5.348 13.966 7.947 824 HG3 GLU 15 1HG GLU 15 -5.322 15.671 8.392 825 H ASN 16 H ASN 16 -2.800 10.960 10.899 826 HA ASN 16 HA ASN 16 -1.983 12.177 13.344 827 HB2 ASN 16 2HB ASN 16 -4.443 12.234 13.650 828 HB3 ASN 16 1HB ASN 16 -4.496 10.490 13.438 829 HD21 ASN 16 2HD2 ASN 16 -3.386 12.140 16.966 830 HD22 ASN 16 1HD2 ASN 16 -3.584 13.097 15.540 831 H LEU 17 H LEU 17 -0.921 10.751 14.745 832 HA LEU 17 HA LEU 17 -0.009 8.867 15.602 833 HG LEU 17 HG LEU 17 0.154 5.958 14.660 834 HB2 LEU 17 2HB LEU 17 -2.202 7.793 15.113 835 HB3 LEU 17 1HB LEU 17 -1.584 7.322 13.543 836 HD11 LEU 17 1HD1 LEU 17 -0.031 5.515 17.054 837 HD12 LEU 17 2HD1 LEU 17 -1.330 6.702 17.178 838 HD13 LEU 17 3HD1 LEU 17 0.298 7.222 16.747 839 HD21 LEU 17 3HD2 LEU 17 -2.676 5.348 15.506 840 HD22 LEU 17 1HD2 LEU 17 -1.348 4.191 15.432 841 HD23 LEU 17 2HD2 LEU 17 -1.950 4.941 13.952 842 H TYR 18 H TYR 18 1.769 7.503 15.221 843 HA TYR 18 HA TYR 18 2.835 7.384 12.509 844 HD1 TYR 18 2HD TYR 18 4.018 8.258 11.084 845 HD2 TYR 18 1HD TYR 18 6.831 8.613 14.258 846 HE1 TYR 18 2HE TYR 18 5.860 8.169 9.456 847 HE2 TYR 18 1HE TYR 18 8.676 8.526 12.637 848 HH TYR 18 HH TYR 18 9.050 7.622 10.332 849 HB2 TYR 18 2HB TYR 18 3.705 9.465 13.732 850 HB3 TYR 18 1HB TYR 18 4.580 8.352 14.775 851 H PHE 19 H PHE 19 5.179 6.134 12.838 852 HA PHE 19 HA PHE 19 4.191 3.563 13.713 853 HD1 PHE 19 1HD PHE 19 4.920 5.529 10.655 854 HD2 PHE 19 2HD PHE 19 4.920 1.348 11.439 855 HE1 PHE 19 1HE PHE 19 3.530 5.159 8.661 856 HE2 PHE 19 2HE PHE 19 3.530 0.969 9.448 857 HZ PHE 19 HZ PHE 19 2.833 2.878 8.052 858 HB2 PHE 19 2HB PHE 19 6.616 4.416 12.143 859 HB3 PHE 19 1HB PHE 19 6.350 2.747 12.636 860 H GLN 20 H GLN 20 5.597 5.879 15.446 861 HA GLN 20 HA GLN 20 7.715 4.457 16.731 862 HB2 GLN 20 2HB GLN 20 7.455 6.960 16.743 863 HB3 GLN 20 1HB GLN 20 6.112 6.760 17.862 864 HG2 GLN 20 2HG GLN 20 7.680 5.583 19.404 865 HG3 GLN 20 1HG GLN 20 8.990 6.027 18.313 866 HE21 GLN 20 2HE2 GLN 20 9.440 8.801 20.348 867 HE22 GLN 20 1HE2 GLN 20 10.049 7.271 19.786 868 H GLY 21 H GLY 21 4.298 4.561 17.038 869 HA2 GLY 21 2HA GLY 21 4.175 2.264 18.667 870 HA3 GLY 21 1HA GLY 21 3.891 3.697 19.652 871 H MET 22 H MET 22 2.349 1.352 17.999 872 HA MET 22 HA MET 22 0.143 3.135 17.213 873 HB2 MET 22 2HB MET 22 1.169 0.638 15.900 874 HB3 MET 22 1HB MET 22 -0.481 1.190 15.640 875 HG2 MET 22 2HG MET 22 0.425 3.360 14.859 876 HG3 MET 22 1HG MET 22 2.048 2.686 14.999 877 HE1 MET 22 3HE MET 22 1.183 2.922 11.110 878 HE2 MET 22 1HE MET 22 2.177 3.592 12.404 879 HE3 MET 22 2HE MET 22 0.450 3.950 12.341 880 H THR 23 H THR 23 -1.918 1.609 16.904 881 HA THR 23 HA THR 23 -2.220 0.131 19.424 882 HB THR 23 HB THR 23 -3.222 2.390 19.596 883 HG1 THR 23 1HG THR 23 -4.458 1.256 20.889 884 HG21 THR 23 3HG2 THR 23 -5.064 1.468 17.387 885 HG22 THR 23 1HG2 THR 23 -3.806 2.695 17.231 886 HG23 THR 23 2HG2 THR 23 -5.188 2.980 18.288 887 H ASP 24 H ASP 24 -4.659 -0.895 19.217 888 HA ASP 24 HA ASP 24 -4.209 -3.081 17.491 889 HB2 ASP 24 2HB ASP 24 -5.440 -3.199 19.639 890 HB3 ASP 24 1HB ASP 24 -6.768 -2.306 18.904 891 H THR 25 H THR 25 -6.539 -0.396 17.303 892 HA THR 25 HA THR 25 -7.855 -1.339 14.982 893 HB THR 25 HB THR 25 -7.688 1.536 15.908 894 HG1 THR 25 1HG THR 25 -8.887 -0.682 17.044 895 HG21 THR 25 3HG2 THR 25 -9.913 1.720 14.888 896 HG22 THR 25 1HG2 THR 25 -9.813 0.039 14.364 897 HG23 THR 25 2HG2 THR 25 -8.704 1.238 13.700 898 H ALA 26 H ALA 26 -4.782 0.119 15.352 899 HA ALA 26 HA ALA 26 -4.605 1.667 12.999 900 HB1 ALA 26 3HB ALA 26 -2.981 1.821 14.830 901 HB2 ALA 26 1HB ALA 26 -2.193 1.534 13.278 902 HB3 ALA 26 2HB ALA 26 -2.381 0.211 14.430 903 H ALA 27 H ALA 27 -4.285 -1.755 13.577 904 HA ALA 27 HA ALA 27 -2.967 -2.519 11.224 905 HB1 ALA 27 3HB ALA 27 -5.005 -4.102 12.786 906 HB2 ALA 27 1HB ALA 27 -3.295 -3.969 13.194 907 HB3 ALA 27 2HB ALA 27 -3.783 -4.746 11.689 908 H GLU 28 H GLU 28 -6.262 -1.593 11.807 909 HA GLU 28 HA GLU 28 -7.381 -2.879 9.528 910 HB2 GLU 28 2HB GLU 28 -8.660 -2.182 11.559 911 HB3 GLU 28 1HB GLU 28 -8.472 -0.511 11.047 912 HG2 GLU 28 2HG GLU 28 -9.738 -0.929 9.048 913 HG3 GLU 28 1HG GLU 28 -9.828 -2.649 9.424 914 H ASP 29 H ASP 29 -6.153 0.381 10.173 915 HA ASP 29 HA ASP 29 -6.874 1.398 7.608 916 HB2 ASP 29 2HB ASP 29 -5.176 2.395 9.853 917 HB3 ASP 29 1HB ASP 29 -4.994 3.139 8.267 918 H VAL 30 H VAL 30 -4.036 -0.182 8.930 919 HA VAL 30 HA VAL 30 -2.341 0.124 6.701 920 HB VAL 30 HB VAL 30 -2.511 -2.241 8.586 921 HG11 VAL 30 1HG1 VAL 30 -0.175 -2.652 7.942 922 HG12 VAL 30 2HG1 VAL 30 -0.278 -1.344 6.763 923 HG13 VAL 30 3HG1 VAL 30 -1.271 -2.787 6.566 924 HG21 VAL 30 3HG2 VAL 30 -2.149 -0.178 9.803 925 HG22 VAL 30 1HG2 VAL 30 -0.833 0.264 8.718 926 HG23 VAL 30 2HG2 VAL 30 -0.664 -1.129 9.785 927 H ARG 31 H ARG 31 -4.789 -2.325 7.475 928 HA ARG 31 HA ARG 31 -4.549 -3.811 5.087 929 HE ARG 31 HE ARG 31 -6.781 -6.886 6.653 930 HB2 ARG 31 2HB ARG 31 -5.767 -4.786 6.896 931 HB3 ARG 31 1HB ARG 31 -6.857 -3.410 6.993 932 HG2 ARG 31 2HG ARG 31 -7.763 -4.001 4.780 933 HG3 ARG 31 1HG ARG 31 -6.712 -5.419 4.752 934 HD2 ARG 31 2HD ARG 31 -8.786 -4.868 6.866 935 HD3 ARG 31 1HD ARG 31 -9.041 -5.908 5.464 936 HH11 ARG 31 1HH1 ARG 31 -10.074 -6.311 7.712 937 HH12 ARG 31 2HH1 ARG 31 -10.050 -7.599 8.874 938 HH21 ARG 31 2HH2 ARG 31 -8.161 -8.887 9.120 939 HH22 ARG 31 1HH2 ARG 31 -6.756 -8.564 8.141 940 H LYS 32 H LYS 32 -6.406 -0.975 5.963 941 HA LYS 32 HA LYS 32 -8.199 -0.808 3.874 942 HB2 LYS 32 2HB LYS 32 -8.173 0.622 5.906 943 HB3 LYS 32 1HB LYS 32 -6.799 1.494 5.244 944 HG2 LYS 32 2HG LYS 32 -8.222 2.153 3.319 945 HG3 LYS 32 1HG LYS 32 -9.592 1.395 4.133 946 HD2 LYS 32 2HD LYS 32 -7.915 3.641 5.255 947 HD3 LYS 32 1HD LYS 32 -9.505 3.829 4.517 948 HE2 LYS 32 2HE LYS 32 -10.500 2.456 6.258 949 HE3 LYS 32 1HE LYS 32 -8.911 2.169 6.967 950 HZ1 LYS 32 3HZ LYS 32 -10.161 3.897 8.139 951 HZ2 LYS 32 1HZ LYS 32 -10.208 4.834 6.723 952 HZ3 LYS 32 2HZ LYS 32 -8.721 4.499 7.482 953 H ILE 33 H ILE 33 -4.885 0.496 4.007 954 HA ILE 33 HA ILE 33 -5.061 1.652 1.398 955 HB ILE 33 HB ILE 33 -2.654 2.083 1.597 956 HG12 ILE 33 2HG1 ILE 33 -2.843 0.601 4.229 957 HG13 ILE 33 1HG1 ILE 33 -2.032 0.000 2.791 958 HG21 ILE 33 1HG2 ILE 33 -2.758 3.559 3.544 959 HG22 ILE 33 2HG2 ILE 33 -4.205 2.717 4.101 960 HG23 ILE 33 3HG2 ILE 33 -4.242 3.627 2.591 961 HD11 ILE 33 3HD1 ILE 33 -0.439 0.886 4.374 962 HD12 ILE 33 1HD1 ILE 33 -1.263 2.446 4.363 963 HD13 ILE 33 2HD1 ILE 33 -0.455 1.863 2.906 964 H ALA 34 H ALA 34 -3.775 -1.378 2.673 965 HA ALA 34 HA ALA 34 -2.437 -2.122 0.268 966 HB1 ALA 34 3HB ALA 34 -3.285 -3.812 2.614 967 HB2 ALA 34 1HB ALA 34 -1.737 -2.987 2.429 968 HB3 ALA 34 2HB ALA 34 -2.172 -4.304 1.338 969 H THR 35 H THR 35 -5.633 -2.752 1.609 970 HA THR 35 HA THR 35 -6.292 -4.754 -0.336 971 HB THR 35 HB THR 35 -8.222 -3.161 1.366 972 HG1 THR 35 1HG THR 35 -6.580 -4.187 2.640 973 HG21 THR 35 3HG2 THR 35 -8.408 -5.924 0.156 974 HG22 THR 35 1HG2 THR 35 -9.262 -4.491 -0.415 975 HG23 THR 35 2HG2 THR 35 -9.628 -5.162 1.175 976 H ALA 36 H ALA 36 -6.605 -1.269 -0.113 977 HA ALA 36 HA ALA 36 -8.461 -0.777 -2.136 978 HB1 ALA 36 3HB ALA 36 -5.984 0.822 -1.486 979 HB2 ALA 36 1HB ALA 36 -7.552 0.980 -0.692 980 HB3 ALA 36 2HB ALA 36 -7.379 1.399 -2.397 981 H LEU 37 H LEU 37 -4.997 -1.371 -2.297 982 HA LEU 37 HA LEU 37 -4.548 -1.178 -5.022 983 HG LEU 37 HG LEU 37 -3.359 -4.432 -4.223 984 HB2 LEU 37 2HB LEU 37 -2.571 -1.529 -4.022 985 HB3 LEU 37 1HB LEU 37 -3.294 -2.419 -2.701 986 HD11 LEU 37 1HD1 LEU 37 -1.825 -4.430 -6.134 987 HD12 LEU 37 2HD1 LEU 37 -1.536 -2.705 -5.905 988 HD13 LEU 37 3HD1 LEU 37 -3.140 -3.277 -6.366 989 HD21 LEU 37 3HD2 LEU 37 -0.954 -4.903 -3.930 990 HD22 LEU 37 1HD2 LEU 37 -1.706 -4.229 -2.484 991 HD23 LEU 37 2HD2 LEU 37 -0.699 -3.209 -3.509 992 H LEU 38 H LEU 38 -5.561 -4.031 -3.159 993 HA LEU 38 HA LEU 38 -5.613 -5.810 -5.327 994 HG LEU 38 HG LEU 38 -6.282 -8.066 -4.708 995 HB2 LEU 38 2HB LEU 38 -5.592 -6.340 -2.851 996 HB3 LEU 38 1HB LEU 38 -7.302 -5.964 -2.832 997 HD11 LEU 38 1HD1 LEU 38 -6.628 -9.743 -2.949 998 HD12 LEU 38 2HD1 LEU 38 -6.876 -8.453 -1.774 999 HD13 LEU 38 3HD1 LEU 38 -5.307 -8.642 -2.557 1000 HD21 LEU 38 3HD2 LEU 38 -8.610 -7.350 -4.897 1001 HD22 LEU 38 1HD2 LEU 38 -8.867 -7.699 -3.187 1002 HD23 LEU 38 2HD2 LEU 38 -8.512 -9.010 -4.312 1003 H LYS 39 H LYS 39 -7.922 -3.489 -4.170 1004 HA LYS 39 HA LYS 39 -10.125 -4.676 -5.586 1005 HB2 LYS 39 2HB LYS 39 -9.843 -2.215 -3.881 1006 HB3 LYS 39 1HB LYS 39 -11.343 -2.661 -4.677 1007 HG2 LYS 39 2HG LYS 39 -11.660 -4.524 -3.354 1008 HG3 LYS 39 1HG LYS 39 -9.951 -4.644 -2.940 1009 HD2 LYS 39 2HD LYS 39 -11.219 -3.901 -1.018 1010 HD3 LYS 39 1HD LYS 39 -10.158 -2.608 -1.576 1011 HE2 LYS 39 2HE LYS 39 -12.024 -1.517 -2.675 1012 HE3 LYS 39 1HE LYS 39 -13.099 -2.838 -2.209 1013 HZ1 LYS 39 3HZ LYS 39 -11.678 -1.015 -0.335 1014 HZ2 LYS 39 1HZ LYS 39 -12.704 -2.289 0.114 1015 HZ3 LYS 39 2HZ LYS 39 -13.335 -0.951 -0.714 1016 H THR 40 H THR 40 -8.183 -1.687 -5.922 1017 HA THR 40 HA THR 40 -9.788 -1.100 -8.322 1018 HB THR 40 HB THR 40 -9.814 0.600 -6.482 1019 HG1 THR 40 1HG THR 40 -8.903 1.199 -9.095 1020 HG21 THR 40 3HG2 THR 40 -7.865 2.063 -6.226 1021 HG22 THR 40 1HG2 THR 40 -6.946 1.034 -7.324 1022 HG23 THR 40 2HG2 THR 40 -7.480 0.404 -5.765 1023 H ALA 41 H ALA 41 -6.755 -2.278 -7.533 1024 HA ALA 41 HA ALA 41 -5.544 -1.053 -9.925 1025 HB1 ALA 41 3HB ALA 41 -4.361 -0.591 -7.852 1026 HB2 ALA 41 1HB ALA 41 -3.377 -1.571 -8.938 1027 HB3 ALA 41 2HB ALA 41 -4.182 -2.320 -7.557 1028 H ILE 42 H ILE 42 -6.900 -3.906 -8.839 1029 HA ILE 42 HA ILE 42 -5.230 -5.555 -10.603 1030 HB ILE 42 HB ILE 42 -7.145 -6.356 -8.405 1031 HG12 ILE 42 2HG1 ILE 42 -4.141 -6.609 -8.707 1032 HG13 ILE 42 1HG1 ILE 42 -4.990 -5.524 -7.612 1033 HG21 ILE 42 1HG2 ILE 42 -7.290 -7.943 -10.249 1034 HG22 ILE 42 2HG2 ILE 42 -6.484 -8.665 -8.856 1035 HG23 ILE 42 3HG2 ILE 42 -5.537 -8.124 -10.241 1036 HD11 ILE 42 3HD1 ILE 42 -5.893 -7.475 -6.419 1037 HD12 ILE 42 1HD1 ILE 42 -4.129 -7.421 -6.404 1038 HD13 ILE 42 2HD1 ILE 42 -4.968 -8.528 -7.490 1039 H GLU 43 H GLU 43 -6.106 -6.691 -12.280 1040 HA GLU 43 HA GLU 43 -8.845 -5.939 -13.050 1041 HB2 GLU 43 2HB GLU 43 -7.154 -4.879 -14.459 1042 HB3 GLU 43 1HB GLU 43 -6.434 -6.443 -14.802 1043 HG2 GLU 43 2HG GLU 43 -8.564 -7.116 -15.894 1044 HG3 GLU 43 1HG GLU 43 -9.145 -5.466 -15.663 1045 H ILE 44 H ILE 44 -10.193 -7.507 -13.744 1046 HA ILE 44 HA ILE 44 -9.227 -10.277 -13.534 1047 HB ILE 44 HB ILE 44 -12.078 -9.281 -13.355 1048 HG12 ILE 44 2HG1 ILE 44 -10.636 -8.581 -11.435 1049 HG13 ILE 44 1HG1 ILE 44 -11.969 -9.639 -10.983 1050 HG21 ILE 44 1HG2 ILE 44 -12.568 -11.543 -12.523 1051 HG22 ILE 44 2HG2 ILE 44 -10.901 -12.008 -12.866 1052 HG23 ILE 44 3HG2 ILE 44 -11.976 -11.535 -14.183 1053 HD11 ILE 44 3HD1 ILE 44 -10.414 -11.533 -10.925 1054 HD12 ILE 44 1HD1 ILE 44 -9.953 -10.251 -9.804 1055 HD13 ILE 44 2HD1 ILE 44 -9.089 -10.440 -11.329 1056 H VAL 45 H VAL 45 -9.103 -11.429 -15.369 1057 HA VAL 45 HA VAL 45 -10.865 -10.668 -17.583 1058 HB VAL 45 HB VAL 45 -9.538 -12.386 -18.909 1059 HG11 VAL 45 1HG1 VAL 45 -9.194 -9.992 -19.168 1060 HG12 VAL 45 2HG1 VAL 45 -7.661 -10.856 -19.287 1061 HG13 VAL 45 3HG1 VAL 45 -8.074 -9.994 -17.807 1062 HG21 VAL 45 3HG2 VAL 45 -7.289 -12.919 -18.071 1063 HG22 VAL 45 1HG2 VAL 45 -8.559 -13.623 -17.076 1064 HG23 VAL 45 2HG2 VAL 45 -7.706 -12.183 -16.523 1065 H SER 46 H SER 46 -12.774 -11.548 -17.434 1066 HA SER 46 HA SER 46 -13.031 -14.172 -16.155 1067 HG SER 46 HG SER 46 -15.796 -11.239 -16.255 1068 HB2 SER 46 2HB SER 46 -15.464 -13.293 -15.845 1069 HB3 SER 46 1HB SER 46 -14.185 -12.638 -14.824 1070 H GLU 47 H GLU 47 -14.177 -15.785 -17.104 1071 HA GLU 47 HA GLU 47 -14.449 -15.631 -19.958 1072 HB2 GLU 47 2HB GLU 47 -15.213 -17.843 -18.045 1073 HB3 GLU 47 1HB GLU 47 -15.117 -17.987 -19.796 1074 HG2 GLU 47 2HG GLU 47 -12.794 -17.311 -18.005 1075 HG3 GLU 47 1HG GLU 47 -13.160 -18.922 -18.614 1076 H GLU 48 H GLU 48 -16.530 -16.611 -20.961 1077 HA GLU 48 HA GLU 48 -18.605 -14.782 -20.582 1078 HB2 GLU 48 2HB GLU 48 -18.970 -17.527 -21.764 1079 HB3 GLU 48 1HB GLU 48 -19.886 -16.073 -22.124 1080 HG2 GLU 48 2HG GLU 48 -17.962 -15.106 -23.232 1081 HG3 GLU 48 1HG GLU 48 -16.991 -16.521 -22.811 1082 H ASP 49 H ASP 49 -18.972 -18.263 -20.137 1083 HA ASP 49 HA ASP 49 -20.743 -17.728 -17.844 1084 HB2 ASP 49 2HB ASP 49 -20.761 -20.070 -19.763 1085 HB3 ASP 49 1HB ASP 49 -21.847 -19.861 -18.395 1086 H GLY 50 H GLY 50 -17.744 -18.752 -18.617 1087 HA2 GLY 50 2HA GLY 50 -17.582 -21.081 -16.917 1088 HA3 GLY 50 1HA GLY 50 -16.255 -20.310 -17.771 1089 H GLY 51 H GLY 51 -14.767 -19.567 -16.449 1090 HA2 GLY 51 2HA GLY 51 -15.626 -18.764 -13.744 1091 HA3 GLY 51 1HA GLY 51 -14.054 -19.447 -14.129 1092 H ALA 52 H ALA 52 -12.957 -17.762 -13.198 1093 HA ALA 52 HA ALA 52 -12.724 -15.382 -14.851 1094 HB1 ALA 52 3HB ALA 52 -13.127 -15.233 -11.857 1095 HB2 ALA 52 1HB ALA 52 -14.319 -14.769 -13.070 1096 HB3 ALA 52 2HB ALA 52 -12.806 -13.876 -12.938 1097 H HIS 53 H HIS 53 -10.643 -14.480 -14.768 1098 HA HIS 53 HA HIS 53 -8.724 -16.089 -13.210 1099 HD1 HIS 53 1HD HIS 53 -6.587 -18.023 -15.111 1100 HD2 HIS 53 2HD HIS 53 -10.442 -17.169 -16.417 1101 HE1 HIS 53 1HE HIS 53 -7.578 -20.219 -15.788 1102 HE2 HIS 53 2HE HIS 53 -9.971 -19.711 -16.379 1103 HB2 HIS 53 2HB HIS 53 -8.483 -15.049 -16.020 1104 HB3 HIS 53 1HB HIS 53 -7.084 -15.573 -15.087 1105 H ASN 54 H ASN 54 -7.954 -14.946 -11.639 1106 HA ASN 54 HA ASN 54 -7.973 -12.053 -11.689 1107 HB2 ASN 54 2HB ASN 54 -8.666 -13.216 -9.657 1108 HB3 ASN 54 1HB ASN 54 -7.112 -14.038 -9.567 1109 HD21 ASN 54 2HD2 ASN 54 -6.260 -11.567 -7.271 1110 HD22 ASN 54 1HD2 ASN 54 -6.688 -13.219 -7.530 1111 H GLN 55 H GLN 55 -6.363 -11.000 -12.643 1112 HA GLN 55 HA GLN 55 -3.686 -12.202 -12.635 1113 HB2 GLN 55 2HB GLN 55 -4.830 -10.004 -14.365 1114 HB3 GLN 55 1HB GLN 55 -3.172 -10.575 -14.442 1115 HG2 GLN 55 2HG GLN 55 -4.090 -12.847 -14.990 1116 HG3 GLN 55 1HG GLN 55 -5.671 -12.081 -15.149 1117 HE21 GLN 55 2HE2 GLN 55 -5.007 -10.602 -18.243 1118 HE22 GLN 55 1HE2 GLN 55 -6.038 -10.664 -16.855 1119 H CYS 56 H CYS 56 -2.347 -11.487 -11.133 1120 HA CYS 56 HA CYS 56 -2.686 -9.001 -9.775 1121 HG CYS 56 HG CYS 56 -2.567 -12.251 -9.000 1122 HB2 CYS 56 2HB CYS 56 -0.251 -10.796 -9.907 1123 HB3 CYS 56 1HB CYS 56 -0.529 -9.516 -8.731 1124 H LYS 57 H LYS 57 -2.251 -7.068 -10.634 1125 HA LYS 57 HA LYS 57 -0.924 -6.958 -13.195 1126 HB2 LYS 57 2HB LYS 57 -3.139 -5.785 -12.459 1127 HB3 LYS 57 1HB LYS 57 -2.072 -4.587 -11.749 1128 HG2 LYS 57 2HG LYS 57 -1.782 -5.359 -14.626 1129 HG3 LYS 57 1HG LYS 57 -3.018 -4.208 -14.126 1130 HD2 LYS 57 2HD LYS 57 -0.065 -3.933 -13.571 1131 HD3 LYS 57 1HD LYS 57 -0.931 -3.119 -14.876 1132 HE2 LYS 57 2HE LYS 57 -1.533 -2.809 -11.934 1133 HE3 LYS 57 1HE LYS 57 -0.584 -1.678 -12.894 1134 HZ1 LYS 57 3HZ LYS 57 -3.441 -2.367 -13.340 1135 HZ2 LYS 57 1HZ LYS 57 -2.531 -1.301 -14.294 1136 HZ3 LYS 57 2HZ LYS 57 -2.857 -0.926 -12.669 1137 H LEU 58 H LEU 58 1.070 -7.571 -12.189 1138 HA LEU 58 HA LEU 58 2.899 -5.472 -11.934 1139 HG LEU 58 HG LEU 58 4.555 -5.270 -9.766 1140 HB2 LEU 58 2HB LEU 58 1.551 -5.552 -9.637 1141 HB3 LEU 58 1HB LEU 58 2.682 -6.849 -9.297 1142 HD11 LEU 58 1HD1 LEU 58 4.017 -2.866 -9.807 1143 HD12 LEU 58 2HD1 LEU 58 2.300 -3.276 -9.885 1144 HD13 LEU 58 3HD1 LEU 58 3.377 -3.730 -11.206 1145 HD21 LEU 58 3HD2 LEU 58 4.355 -4.045 -7.667 1146 HD22 LEU 58 1HD2 LEU 58 3.806 -5.709 -7.475 1147 HD23 LEU 58 2HD2 LEU 58 2.629 -4.403 -7.609 1148 H CYS 59 H CYS 59 2.211 -8.709 -10.660 1149 HA CYS 59 HA CYS 59 4.963 -9.526 -11.184 1150 HG CYS 59 HG CYS 59 5.191 -12.442 -10.960 1151 HB2 CYS 59 2HB CYS 59 3.990 -10.045 -8.983 1152 HB3 CYS 59 1HB CYS 59 2.718 -10.980 -9.761 1153 H GLY 60 H GLY 60 1.891 -9.719 -12.635 1154 HA2 GLY 60 2HA GLY 60 1.243 -10.696 -14.617 1155 HA3 GLY 60 1HA GLY 60 2.893 -11.269 -14.811 1156 H ALA 61 H ALA 61 0.946 -11.982 -12.002 1157 HA ALA 61 HA ALA 61 0.896 -14.808 -12.815 1158 HB1 ALA 61 3HB ALA 61 0.810 -15.353 -10.431 1159 HB2 ALA 61 1HB ALA 61 0.825 -13.634 -10.035 1160 HB3 ALA 61 2HB ALA 61 2.227 -14.374 -10.809 1161 H SER 62 H SER 62 -1.024 -15.879 -12.877 1162 HA SER 62 HA SER 62 -3.397 -14.354 -12.047 1163 HG SER 62 HG SER 62 -1.990 -16.343 -14.459 1164 HB2 SER 62 2HB SER 62 -4.569 -15.350 -14.035 1165 HB3 SER 62 1HB SER 62 -3.297 -14.198 -14.437 1166 H VAL 63 H VAL 63 -5.129 -15.491 -11.262 1167 HA VAL 63 HA VAL 63 -4.734 -18.369 -10.776 1168 HB VAL 63 HB VAL 63 -4.098 -17.115 -8.750 1169 HG11 VAL 63 1HG1 VAL 63 -5.757 -15.838 -7.481 1170 HG12 VAL 63 2HG1 VAL 63 -6.914 -16.043 -8.796 1171 HG13 VAL 63 3HG1 VAL 63 -5.436 -15.117 -9.058 1172 HG21 VAL 63 3HG2 VAL 63 -5.561 -18.226 -7.134 1173 HG22 VAL 63 1HG2 VAL 63 -5.078 -19.305 -8.442 1174 HG23 VAL 63 2HG2 VAL 63 -6.697 -18.603 -8.429 1175 HA PRO 64 HA PRO 64 -8.902 -18.748 -12.345 1176 HB2 PRO 64 1HB PRO 64 -9.358 -20.981 -12.236 1177 HB3 PRO 64 2HB PRO 64 -9.173 -21.036 -10.481 1178 HG2 PRO 64 2HG PRO 64 -7.215 -22.107 -11.123 1179 HG3 PRO 64 1HG PRO 64 -7.081 -21.159 -12.616 1180 HD2 PRO 64 2HD PRO 64 -6.395 -20.378 -9.808 1181 HD3 PRO 64 1HD PRO 64 -5.518 -20.044 -11.316 1182 H TRP 65 H TRP 65 -8.201 -17.789 -9.273 1183 HA TRP 65 HA TRP 65 -9.343 -16.427 -7.889 1184 HD1 TRP 65 HD TRP 65 -13.635 -17.021 -8.093 1185 HE1 TRP 65 1HE TRP 65 -14.717 -15.263 -6.552 1186 HE3 TRP 65 3HE TRP 65 -9.965 -13.476 -8.248 1187 HZ2 TRP 65 2HZ TRP 65 -14.078 -12.704 -5.533 1188 HZ3 TRP 65 3HZ TRP 65 -10.272 -11.403 -6.960 1189 HH2 TRP 65 HH TRP 65 -12.286 -11.026 -5.631 1190 HB2 TRP 65 2HB TRP 65 -10.578 -15.537 -9.742 1191 HB3 TRP 65 1HB TRP 65 -11.633 -16.945 -9.781 1192 H LEU 66 H LEU 66 -11.347 -19.225 -8.776 1193 HA LEU 66 HA LEU 66 -12.784 -19.375 -6.399 1194 HG LEU 66 HG LEU 66 -14.580 -21.548 -8.722 1195 HB2 LEU 66 2HB LEU 66 -12.099 -21.402 -8.485 1196 HB3 LEU 66 1HB LEU 66 -12.943 -21.894 -7.030 1197 HD11 LEU 66 1HD1 LEU 66 -14.561 -19.172 -6.870 1198 HD12 LEU 66 2HD1 LEU 66 -15.202 -20.775 -6.507 1199 HD13 LEU 66 3HD1 LEU 66 -15.958 -19.785 -7.755 1200 HD21 LEU 66 3HD2 LEU 66 -13.383 -18.810 -9.144 1201 HD22 LEU 66 1HD2 LEU 66 -14.852 -19.420 -9.908 1202 HD23 LEU 66 2HD2 LEU 66 -13.297 -20.172 -10.261 1203 H GLN 67 H GLN 67 -9.669 -20.836 -7.203 1204 HA GLN 67 HA GLN 67 -9.363 -22.416 -4.911 1205 HB2 GLN 67 2HB GLN 67 -7.899 -22.547 -6.908 1206 HB3 GLN 67 1HB GLN 67 -7.205 -20.989 -6.480 1207 HG2 GLN 67 2HG GLN 67 -6.363 -21.939 -4.389 1208 HG3 GLN 67 1HG GLN 67 -7.049 -23.502 -4.826 1209 HE21 GLN 67 2HE2 GLN 67 -4.150 -22.345 -7.426 1210 HE22 GLN 67 1HE2 GLN 67 -5.541 -21.362 -7.135 1211 H THR 68 H THR 68 -8.395 -19.078 -5.556 1212 HA THR 68 HA THR 68 -8.819 -18.118 -2.977 1213 HB THR 68 HB THR 68 -6.928 -19.479 -2.263 1214 HG1 THR 68 1HG THR 68 -6.364 -17.843 -1.057 1215 HG21 THR 68 3HG2 THR 68 -4.676 -19.120 -3.192 1216 HG22 THR 68 1HG2 THR 68 -5.364 -18.046 -4.410 1217 HG23 THR 68 2HG2 THR 68 -5.797 -19.755 -4.399 1218 H GLY 69 H GLY 69 -8.477 -15.888 -2.874 1219 HA2 GLY 69 2HA GLY 69 -7.603 -14.668 -5.412 1220 HA3 GLY 69 1HA GLY 69 -8.666 -13.907 -4.233 1221 H ASP 70 H ASP 70 -6.492 -15.332 -2.351 1222 HA ASP 70 HA ASP 70 -4.839 -12.904 -2.301 1223 HB2 ASP 70 2HB ASP 70 -4.563 -13.355 0.156 1224 HB3 ASP 70 1HB ASP 70 -6.192 -12.922 -0.345 1225 H GLU 71 H GLU 71 -4.614 -16.327 -1.239 1226 HA GLU 71 HA GLU 71 -1.715 -16.070 -1.420 1227 HB2 GLU 71 2HB GLU 71 -2.660 -16.965 0.654 1228 HB3 GLU 71 1HB GLU 71 -3.395 -18.286 -0.243 1229 HG2 GLU 71 2HG GLU 71 -1.413 -19.083 0.826 1230 HG3 GLU 71 1HG GLU 71 -1.144 -19.038 -0.915 1231 H ILE 72 H ILE 72 -1.857 -16.037 -3.771 1232 HA ILE 72 HA ILE 72 -2.055 -18.702 -4.968 1233 HB ILE 72 HB ILE 72 -3.039 -16.681 -6.126 1234 HG12 ILE 72 2HG1 ILE 72 -2.083 -18.861 -7.267 1235 HG13 ILE 72 1HG1 ILE 72 -2.650 -17.511 -8.238 1236 HG21 ILE 72 1HG2 ILE 72 -1.510 -15.168 -7.317 1237 HG22 ILE 72 2HG2 ILE 72 -0.150 -15.909 -6.474 1238 HG23 ILE 72 3HG2 ILE 72 -1.381 -15.035 -5.563 1239 HD11 ILE 72 3HD1 ILE 72 -0.587 -18.416 -9.114 1240 HD12 ILE 72 1HD1 ILE 72 0.217 -18.145 -7.568 1241 HD13 ILE 72 2HD1 ILE 72 -0.334 -16.772 -8.529 1242 H LYS 73 H LYS 73 -0.154 -19.604 -6.053 1243 HA LYS 73 HA LYS 73 2.186 -19.537 -4.576 1244 HB2 LYS 73 2HB LYS 73 1.371 -21.107 -6.550 1245 HB3 LYS 73 1HB LYS 73 2.387 -20.043 -7.516 1246 HG2 LYS 73 2HG LYS 73 3.582 -22.051 -6.782 1247 HG3 LYS 73 1HG LYS 73 4.308 -20.576 -6.135 1248 HD2 LYS 73 2HD LYS 73 3.190 -20.928 -4.009 1249 HD3 LYS 73 1HD LYS 73 2.378 -22.358 -4.648 1250 HE2 LYS 73 2HE LYS 73 5.366 -22.058 -4.423 1251 HE3 LYS 73 1HE LYS 73 4.357 -22.849 -3.214 1252 HZ1 LYS 73 3HZ LYS 73 5.280 -24.500 -4.643 1253 HZ2 LYS 73 1HZ LYS 73 4.745 -23.693 -6.037 1254 HZ3 LYS 73 2HZ LYS 73 3.620 -24.395 -4.981 1255 H HIS 74 H HIS 74 3.540 -17.900 -4.222 1256 HA HIS 74 HA HIS 74 3.346 -15.658 -6.119 1257 HD1 HIS 74 1HD HIS 74 2.076 -16.382 -1.729 1258 HD2 HIS 74 2HD HIS 74 5.868 -14.916 -2.656 1259 HE1 HIS 74 1HE HIS 74 3.461 -16.693 0.349 1260 HE2 HIS 74 2HE HIS 74 5.698 -15.645 -0.185 1261 HB2 HIS 74 2HB HIS 74 3.469 -14.147 -4.221 1262 HB3 HIS 74 1HB HIS 74 2.153 -15.288 -3.991 1263 H ALA 75 H ALA 75 5.117 -14.367 -6.522 1264 HA ALA 75 HA ALA 75 7.741 -15.321 -5.818 1265 HB1 ALA 75 3HB ALA 75 8.543 -13.316 -6.974 1266 HB2 ALA 75 1HB ALA 75 6.892 -12.705 -7.082 1267 HB3 ALA 75 2HB ALA 75 7.351 -14.166 -7.957 1268 H ASP 76 H ASP 76 8.846 -14.756 -4.014 1269 HA ASP 76 HA ASP 76 7.309 -13.398 -1.988 1270 HB2 ASP 76 2HB ASP 76 8.817 -15.537 -1.820 1271 HB3 ASP 76 1HB ASP 76 10.108 -14.372 -1.564 1272 H ASP 77 H ASP 77 9.192 -12.269 -4.340 1273 HA ASP 77 HA ASP 77 10.563 -10.215 -2.779 1274 HB2 ASP 77 2HB ASP 77 10.621 -10.823 -5.743 1275 HB3 ASP 77 1HB ASP 77 11.551 -9.550 -4.959 1276 H CYS 78 H CYS 78 7.549 -10.625 -3.889 1277 HA CYS 78 HA CYS 78 7.203 -7.943 -4.989 1278 HG CYS 78 HG CYS 78 7.463 -9.526 -7.102 1279 HB2 CYS 78 2HB CYS 78 5.232 -10.225 -4.713 1280 HB3 CYS 78 1HB CYS 78 4.917 -8.695 -5.524 1281 HA PRO 79 HA PRO 79 6.096 -6.365 -0.964 1282 HB2 PRO 79 1HB PRO 79 6.690 -4.273 -1.647 1283 HB3 PRO 79 2HB PRO 79 4.960 -4.040 -1.917 1284 HG2 PRO 79 2HG PRO 79 5.124 -4.474 -4.187 1285 HG3 PRO 79 1HG PRO 79 6.720 -3.751 -3.908 1286 HD2 PRO 79 2HD PRO 79 6.464 -6.168 -5.024 1287 HD3 PRO 79 1HD PRO 79 7.790 -5.808 -3.902 1288 H VAL 80 H VAL 80 3.867 -6.579 -3.670 1289 HA VAL 80 HA VAL 80 1.456 -6.063 -2.345 1290 HB VAL 80 HB VAL 80 1.923 -7.952 -4.663 1291 HG11 VAL 80 1HG1 VAL 80 -0.430 -7.500 -5.225 1292 HG12 VAL 80 2HG1 VAL 80 -0.592 -6.564 -3.739 1293 HG13 VAL 80 3HG1 VAL 80 -0.265 -8.295 -3.658 1294 HG21 VAL 80 3HG2 VAL 80 1.243 -5.014 -4.654 1295 HG22 VAL 80 1HG2 VAL 80 1.355 -6.043 -6.083 1296 HG23 VAL 80 2HG2 VAL 80 2.793 -5.718 -5.116 1297 H VAL 81 H VAL 81 3.482 -8.892 -2.433 1298 HA VAL 81 HA VAL 81 1.538 -10.722 -1.421 1299 HB VAL 81 HB VAL 81 4.555 -10.900 -1.445 1300 HG11 VAL 81 1HG1 VAL 81 2.485 -13.035 -0.939 1301 HG12 VAL 81 2HG1 VAL 81 3.579 -12.344 0.259 1302 HG13 VAL 81 3HG1 VAL 81 4.223 -13.296 -1.078 1303 HG21 VAL 81 3HG2 VAL 81 4.246 -12.342 -3.385 1304 HG22 VAL 81 1HG2 VAL 81 3.561 -10.744 -3.678 1305 HG23 VAL 81 2HG2 VAL 81 2.502 -12.102 -3.301 1306 H ILE 82 H ILE 82 4.316 -9.025 0.053 1307 HA ILE 82 HA ILE 82 3.884 -10.089 2.618 1308 HB ILE 82 HB ILE 82 5.463 -8.530 3.432 1309 HG12 ILE 82 2HG1 ILE 82 6.258 -6.913 1.309 1310 HG13 ILE 82 1HG1 ILE 82 4.500 -6.824 1.314 1311 HG21 ILE 82 1HG2 ILE 82 7.353 -8.893 1.937 1312 HG22 ILE 82 2HG2 ILE 82 6.239 -9.332 0.645 1313 HG23 ILE 82 3HG2 ILE 82 6.356 -10.340 2.088 1314 HD11 ILE 82 3HD1 ILE 82 5.274 -5.067 2.685 1315 HD12 ILE 82 1HD1 ILE 82 6.378 -6.140 3.547 1316 HD13 ILE 82 2HD1 ILE 82 4.637 -6.311 3.767 1317 H ALA 83 H ALA 83 2.691 -7.216 1.015 1318 HA ALA 83 HA ALA 83 1.449 -5.895 3.104 1319 HB1 ALA 83 3HB ALA 83 -0.123 -5.011 1.450 1320 HB2 ALA 83 1HB ALA 83 0.390 -6.243 0.297 1321 HB3 ALA 83 2HB ALA 83 1.527 -5.006 0.829 1322 H LYS 84 H LYS 84 0.258 -8.640 1.198 1323 HA LYS 84 HA LYS 84 -2.244 -8.905 2.482 1324 HB2 LYS 84 2HB LYS 84 -0.510 -10.960 1.100 1325 HB3 LYS 84 1HB LYS 84 -2.158 -11.261 1.631 1326 HG2 LYS 84 2HG LYS 84 -2.989 -9.571 0.105 1327 HG3 LYS 84 1HG LYS 84 -1.339 -9.176 -0.382 1328 HD2 LYS 84 2HD LYS 84 -1.036 -11.377 -1.311 1329 HD3 LYS 84 1HD LYS 84 -2.611 -11.889 -0.708 1330 HE2 LYS 84 2HE LYS 84 -3.716 -10.302 -2.177 1331 HE3 LYS 84 1HE LYS 84 -2.156 -9.705 -2.739 1332 HZ1 LYS 84 3HZ LYS 84 -3.274 -11.342 -4.238 1333 HZ2 LYS 84 1HZ LYS 84 -3.027 -12.527 -3.054 1334 HZ3 LYS 84 2HZ LYS 84 -1.704 -11.769 -3.787 1335 H GLN 85 H GLN 85 0.948 -10.189 3.158 1336 HA GLN 85 HA GLN 85 0.290 -11.936 5.244 1337 HB2 GLN 85 2HB GLN 85 2.796 -10.426 4.527 1338 HB3 GLN 85 1HB GLN 85 2.737 -11.541 5.874 1339 HG2 GLN 85 2HG GLN 85 2.081 -13.342 4.335 1340 HG3 GLN 85 1HG GLN 85 2.185 -12.205 2.994 1341 HE21 GLN 85 2HE2 GLN 85 5.866 -11.965 3.867 1342 HE22 GLN 85 1HE2 GLN 85 4.547 -10.891 4.168 1343 H ILE 86 H ILE 86 0.882 -8.479 5.173 1344 HA ILE 86 HA ILE 86 1.030 -8.170 8.016 1345 HB ILE 86 HB ILE 86 0.536 -6.107 5.862 1346 HG12 ILE 86 2HG1 ILE 86 3.080 -6.842 7.333 1347 HG13 ILE 86 1HG1 ILE 86 2.709 -7.270 5.667 1348 HG21 ILE 86 1HG2 ILE 86 -0.260 -5.317 8.005 1349 HG22 ILE 86 2HG2 ILE 86 1.223 -4.470 7.565 1350 HG23 ILE 86 3HG2 ILE 86 1.268 -5.761 8.766 1351 HD11 ILE 86 3HD1 ILE 86 3.009 -4.467 6.724 1352 HD12 ILE 86 1HD1 ILE 86 2.686 -4.922 5.050 1353 HD13 ILE 86 2HD1 ILE 86 4.217 -5.362 5.804 1354 H LEU 87 H LEU 87 -1.507 -7.780 5.578 1355 HA LEU 87 HA LEU 87 -3.322 -6.544 7.417 1356 HG LEU 87 HG LEU 87 -2.817 -8.192 4.122 1357 HB2 LEU 87 2HB LEU 87 -4.938 -6.626 5.567 1358 HB3 LEU 87 1HB LEU 87 -3.413 -5.888 5.136 1359 HD11 LEU 87 1HD1 LEU 87 -4.659 -9.466 5.063 1360 HD12 LEU 87 2HD1 LEU 87 -4.746 -9.461 3.302 1361 HD13 LEU 87 3HD1 LEU 87 -5.820 -8.424 4.240 1362 HD21 LEU 87 3HD2 LEU 87 -4.923 -6.437 2.873 1363 HD22 LEU 87 1HD2 LEU 87 -3.877 -7.566 2.013 1364 HD23 LEU 87 2HD2 LEU 87 -3.182 -6.164 2.828 1365 H SER 88 H SER 88 -2.347 -9.578 7.388 1366 HA SER 88 HA SER 88 -4.757 -11.064 7.537 1367 HG SER 88 HG SER 88 -2.965 -13.894 8.370 1368 HB2 SER 88 2HB SER 88 -2.485 -12.070 7.206 1369 HB3 SER 88 1HB SER 88 -2.125 -11.707 8.894 1370 H SER 89 H SER 89 -5.129 -12.326 9.771 1371 HA SER 89 HA SER 89 -6.189 -12.185 11.778 1372 HG SER 89 HG SER 89 -4.065 -12.691 12.546 1373 HB2 SER 89 2HB SER 89 -4.272 -9.883 12.258 1374 HB3 SER 89 1HB SER 89 -5.192 -10.737 13.500 1375 H ARG 90 H ARG 90 -6.753 -9.739 13.304 1376 HA ARG 90 HA ARG 90 -8.365 -8.144 13.461 1377 HE ARG 90 HE ARG 90 -9.901 -3.847 12.284 1378 HB2 ARG 90 2HB ARG 90 -6.641 -6.879 12.272 1379 HB3 ARG 90 1HB ARG 90 -7.287 -7.420 10.730 1380 HG2 ARG 90 2HG ARG 90 -7.985 -5.158 11.159 1381 HG3 ARG 90 1HG ARG 90 -9.384 -6.231 11.213 1382 HD2 ARG 90 2HD ARG 90 -9.145 -6.280 13.701 1383 HD3 ARG 90 1HD ARG 90 -7.905 -5.035 13.550 1384 HH11 ARG 90 1HH1 ARG 90 -9.886 -5.620 15.302 1385 HH12 ARG 90 2HH1 ARG 90 -11.281 -4.798 15.942 1386 HH21 ARG 90 2HH2 ARG 90 -12.339 -3.174 14.670 1387 HH22 ARG 90 1HH2 ARG 90 -11.703 -2.739 13.107 1388 HA PRO 91 HA PRO 91 -11.534 -10.484 11.077 1389 HB2 PRO 91 1HB PRO 91 -12.551 -11.736 12.672 1390 HB3 PRO 91 2HB PRO 91 -13.047 -10.303 13.577 1391 HG2 PRO 91 2HG PRO 91 -11.460 -11.091 15.055 1392 HG3 PRO 91 1HG PRO 91 -10.536 -11.897 13.772 1393 HD2 PRO 91 2HD PRO 91 -10.562 -9.003 14.559 1394 HD3 PRO 91 1HD PRO 91 -9.183 -10.042 14.137 1395 H LYS 92 H LYS 92 -12.729 -9.301 9.771 1396 HA LYS 92 HA LYS 92 -14.833 -7.656 10.724 1397 HB2 LYS 92 2HB LYS 92 -12.782 -6.135 10.920 1398 HB3 LYS 92 1HB LYS 92 -12.733 -6.155 9.164 1399 HG2 LYS 92 2HG LYS 92 -14.787 -5.030 8.982 1400 HG3 LYS 92 1HG LYS 92 -15.194 -5.336 10.672 1401 HD2 LYS 92 2HD LYS 92 -13.304 -3.885 11.346 1402 HD3 LYS 92 1HD LYS 92 -13.007 -3.529 9.643 1403 HE2 LYS 92 2HE LYS 92 -15.155 -2.477 9.427 1404 HE3 LYS 92 1HE LYS 92 -15.617 -2.988 11.049 1405 HZ1 LYS 92 3HZ LYS 92 -14.955 -0.648 10.970 1406 HZ2 LYS 92 1HZ LYS 92 -13.407 -1.089 10.422 1407 HZ3 LYS 92 2HZ LYS 92 -13.926 -1.545 11.968 1408 H LEU 93 H LEU 93 -16.379 -7.381 9.155 1409 HA LEU 93 HA LEU 93 -16.185 -9.351 7.101 1410 HG LEU 93 HG LEU 93 -18.038 -9.171 9.523 1411 HB2 LEU 93 2HB LEU 93 -18.405 -7.445 7.812 1412 HB3 LEU 93 1HB LEU 93 -18.534 -8.690 6.584 1413 HD11 LEU 93 1HD1 LEU 93 -20.482 -9.638 7.820 1414 HD12 LEU 93 2HD1 LEU 93 -20.302 -8.395 9.059 1415 HD13 LEU 93 3HD1 LEU 93 -20.298 -10.099 9.513 1416 HD21 LEU 93 3HD2 LEU 93 -18.484 -11.107 7.252 1417 HD22 LEU 93 1HD2 LEU 93 -18.363 -11.530 8.959 1418 HD23 LEU 93 2HD2 LEU 93 -16.967 -10.855 8.119 1419 H HIS 94 H HIS 94 -14.410 -8.231 5.925 1420 HA HIS 94 HA HIS 94 -13.707 -7.488 3.908 1421 HD1 HIS 94 1HD HIS 94 -13.353 -8.877 1.532 1422 HD2 HIS 94 2HD HIS 94 -16.597 -6.398 0.713 1423 HE1 HIS 94 1HE HIS 94 -13.066 -8.145 -0.858 1424 HE2 HIS 94 2HE HIS 94 -15.114 -6.775 -1.380 1425 HB2 HIS 94 2HB HIS 94 -15.491 -9.064 3.190 1426 HB3 HIS 94 1HB HIS 94 -16.606 -7.706 3.101 1427 H ALA 95 H ALA 95 -12.957 -5.463 4.061 1428 HA ALA 95 HA ALA 95 -14.682 -3.170 4.243 1429 HB1 ALA 95 3HB ALA 95 -12.636 -1.861 4.106 1430 HB2 ALA 95 1HB ALA 95 -11.719 -3.314 3.707 1431 HB3 ALA 95 2HB ALA 95 -12.486 -3.161 5.289 1432 H VAL 96 H VAL 96 -15.941 -2.810 2.502 1433 HA VAL 96 HA VAL 96 -14.690 -2.858 -0.148 1434 HB VAL 96 HB VAL 96 -16.580 -4.335 -0.067 1435 HG11 VAL 96 1HG1 VAL 96 -18.848 -3.581 0.482 1436 HG12 VAL 96 2HG1 VAL 96 -18.207 -2.000 0.928 1437 HG13 VAL 96 3HG1 VAL 96 -17.747 -3.430 1.851 1438 HG21 VAL 96 3HG2 VAL 96 -17.320 -1.794 -1.515 1439 HG22 VAL 96 1HG2 VAL 96 -18.002 -3.390 -1.826 1440 HG23 VAL 96 2HG2 VAL 96 -16.292 -3.088 -2.129 Start of MODEL 11 1 HA MET 1 HA MET 1 3.741 2.887 -19.752 2 H1 MET 1 1H MET 1 3.044 1.023 -18.421 3 H2 MET 1 2H MET 1 1.704 1.905 -18.974 4 H3 MET 1 3H MET 1 2.211 2.057 -17.358 5 HB2 MET 1 2HB MET 1 1.783 4.322 -19.199 6 HB3 MET 1 1HB MET 1 2.448 4.560 -17.588 7 HG2 MET 1 2HG MET 1 2.945 6.466 -18.954 8 HG3 MET 1 1HG MET 1 4.437 5.601 -18.597 9 HE1 MET 1 3HE MET 1 5.635 6.981 -20.533 10 HE2 MET 1 1HE MET 1 4.125 7.812 -20.904 11 HE3 MET 1 2HE MET 1 5.055 7.053 -22.196 12 H GLY 2 H GLY 2 3.523 2.955 -16.190 13 HA2 GLY 2 2HA GLY 2 6.285 3.685 -15.868 14 HA3 GLY 2 1HA GLY 2 5.189 3.147 -14.601 15 H SER 3 H SER 3 8.005 2.427 -15.186 16 HA SER 3 HA SER 3 7.674 -0.451 -15.695 17 HG SER 3 HG SER 3 8.430 1.415 -17.482 18 HB2 SER 3 2HB SER 3 10.188 1.233 -15.769 19 HB3 SER 3 1HB SER 3 10.070 -0.475 -16.195 20 H SER 4 H SER 4 8.887 -1.946 -14.344 21 HA SER 4 HA SER 4 9.531 -0.913 -11.681 22 HG SER 4 HG SER 4 7.712 -3.710 -10.207 23 HB2 SER 4 2HB SER 4 7.210 -1.665 -11.572 24 HB3 SER 4 1HB SER 4 7.659 -3.217 -12.275 25 H HIS 5 H HIS 5 11.422 -1.647 -11.010 26 HA HIS 5 HA HIS 5 12.314 -4.312 -11.914 27 HD1 HIS 5 1HD HIS 5 16.622 -2.437 -12.108 28 HD2 HIS 5 2HD HIS 5 14.097 -5.746 -12.080 29 HE1 HIS 5 1HE HIS 5 18.118 -4.438 -12.385 30 HE2 HIS 5 2HE HIS 5 16.550 -6.406 -12.557 31 HB2 HIS 5 2HB HIS 5 13.635 -2.345 -12.842 32 HB3 HIS 5 1HB HIS 5 14.141 -2.008 -11.190 33 H HIS 6 H HIS 6 12.754 -1.834 -9.429 34 HA HIS 6 HA HIS 6 12.769 -1.864 -7.189 35 HD1 HIS 6 1HD HIS 6 9.220 -2.464 -8.826 36 HD2 HIS 6 2HD HIS 6 10.597 -1.346 -5.063 37 HE1 HIS 6 1HE HIS 6 7.769 -0.539 -8.114 38 HE2 HIS 6 2HE HIS 6 8.786 0.269 -5.949 39 HB2 HIS 6 2HB HIS 6 10.915 -4.092 -7.852 40 HB3 HIS 6 1HB HIS 6 11.387 -3.861 -6.170 41 H HIS 7 H HIS 7 14.838 -2.077 -6.643 42 HA HIS 7 HA HIS 7 15.618 -4.752 -5.701 43 HD1 HIS 7 1HD HIS 7 18.648 -2.603 -8.598 44 HD2 HIS 7 2HD HIS 7 16.681 -0.667 -5.484 45 HE1 HIS 7 1HE HIS 7 18.886 -0.138 -9.066 46 HE2 HIS 7 2HE HIS 7 17.861 1.006 -7.065 47 HB2 HIS 7 2HB HIS 7 17.987 -3.722 -5.592 48 HB3 HIS 7 1HB HIS 7 17.359 -4.193 -7.161 49 H HIS 8 H HIS 8 14.479 -4.597 -3.815 50 HA HIS 8 HA HIS 8 15.524 -3.210 -1.594 51 HD1 HIS 8 1HD HIS 8 15.182 0.592 -2.119 52 HD2 HIS 8 2HD HIS 8 13.477 -1.934 0.710 53 HE1 HIS 8 1HE HIS 8 15.411 1.789 0.077 54 HE2 HIS 8 2HE HIS 8 14.494 0.193 1.794 55 HB2 HIS 8 2HB HIS 8 14.269 -1.416 -3.156 56 HB3 HIS 8 1HB HIS 8 12.864 -2.042 -2.304 57 H HIS 9 H HIS 9 14.787 -5.808 -2.108 58 HA HIS 9 HA HIS 9 12.052 -6.348 -1.470 59 HD1 HIS 9 1HD HIS 9 14.418 -10.581 -2.063 60 HD2 HIS 9 2HD HIS 9 15.887 -7.051 -0.432 61 HE1 HIS 9 1HE HIS 9 16.684 -11.153 -1.137 62 HE2 HIS 9 2HE HIS 9 17.408 -9.074 0.089 63 HB2 HIS 9 2HB HIS 9 12.618 -8.677 -1.625 64 HB3 HIS 9 1HB HIS 9 13.454 -7.828 -2.915 65 H HIS 10 H HIS 10 11.664 -8.144 0.285 66 HA HIS 10 HA HIS 10 13.146 -7.571 2.738 67 HD1 HIS 10 1HD HIS 10 9.931 -8.623 4.974 68 HD2 HIS 10 2HD HIS 10 12.347 -5.241 4.936 69 HE1 HIS 10 1HE HIS 10 10.290 -8.019 7.387 70 HE2 HIS 10 2HE HIS 10 11.531 -5.832 7.311 71 HB2 HIS 10 2HB HIS 10 11.122 -6.033 2.553 72 HB3 HIS 10 1HB HIS 10 10.123 -7.476 2.656 73 H SER 11 H SER 11 12.680 -9.167 4.423 74 HA SER 11 HA SER 11 12.385 -11.816 3.442 75 HG SER 11 HG SER 11 13.146 -10.417 7.170 76 HB2 SER 11 2HB SER 11 12.304 -12.219 6.033 77 HB3 SER 11 1HB SER 11 13.792 -11.627 5.288 78 H SER 12 H SER 12 10.758 -13.364 4.235 79 HA SER 12 HA SER 12 8.103 -12.137 4.226 80 HG SER 12 HG SER 12 6.577 -14.112 2.762 81 HB2 SER 12 2HB SER 12 8.676 -13.989 2.624 82 HB3 SER 12 1HB SER 12 8.837 -15.069 4.008 83 H GLY 13 H GLY 13 6.460 -12.938 5.722 84 HA2 GLY 13 2HA GLY 13 7.010 -14.466 8.005 85 HA3 GLY 13 1HA GLY 13 7.297 -12.776 8.397 86 H ARG 14 H ARG 14 5.378 -14.029 9.789 87 HA ARG 14 HA ARG 14 3.019 -12.549 9.127 88 HE ARG 14 HE ARG 14 0.631 -16.003 10.435 89 HB2 ARG 14 2HB ARG 14 2.920 -14.655 7.658 90 HB3 ARG 14 1HB ARG 14 2.691 -15.547 9.155 91 HG2 ARG 14 2HG ARG 14 0.753 -13.840 9.538 92 HG3 ARG 14 1HG ARG 14 0.863 -13.634 7.789 93 HD2 ARG 14 2HD ARG 14 -0.757 -15.316 8.144 94 HD3 ARG 14 1HD ARG 14 0.702 -16.150 7.611 95 HH11 ARG 14 1HH1 ARG 14 -0.771 -17.754 7.731 96 HH12 ARG 14 2HH1 ARG 14 -1.185 -19.142 8.699 97 HH21 ARG 14 2HH2 ARG 14 -0.758 -19.144 10.954 98 HH22 ARG 14 1HH2 ARG 14 0.050 -17.790 11.689 99 H GLU 15 H GLU 15 2.507 -11.821 11.105 100 HA GLU 15 HA GLU 15 2.506 -13.733 13.342 101 HB2 GLU 15 2HB GLU 15 3.571 -10.902 13.384 102 HB3 GLU 15 1HB GLU 15 3.291 -11.869 14.822 103 HG2 GLU 15 2HG GLU 15 5.184 -12.605 12.603 104 HG3 GLU 15 1HG GLU 15 5.651 -11.805 14.103 105 H ASN 16 H ASN 16 1.247 -12.823 15.239 106 HA ASN 16 HA ASN 16 -1.332 -11.917 14.513 107 HB2 ASN 16 2HB ASN 16 -1.069 -13.176 16.545 108 HB3 ASN 16 1HB ASN 16 0.117 -12.038 17.169 109 HD21 ASN 16 2HD2 ASN 16 -2.217 -9.896 18.585 110 HD22 ASN 16 1HD2 ASN 16 -0.563 -10.227 18.223 111 H LEU 17 H LEU 17 -2.334 -9.883 15.250 112 HA LEU 17 HA LEU 17 -1.238 -7.621 14.176 113 HG LEU 17 HG LEU 17 -4.008 -8.948 14.482 114 HB2 LEU 17 2HB LEU 17 -3.158 -7.751 16.502 115 HB3 LEU 17 1HB LEU 17 -2.871 -6.342 15.499 116 HD11 LEU 17 1HD1 LEU 17 -5.416 -6.364 15.145 117 HD12 LEU 17 2HD1 LEU 17 -5.522 -7.860 16.073 118 HD13 LEU 17 3HD1 LEU 17 -6.151 -7.798 14.427 119 HD21 LEU 17 3HD2 LEU 17 -4.598 -7.598 12.514 120 HD22 LEU 17 1HD2 LEU 17 -2.853 -7.673 12.769 121 HD23 LEU 17 2HD2 LEU 17 -3.750 -6.220 13.217 122 H TYR 18 H TYR 18 0.838 -7.132 14.697 123 HA TYR 18 HA TYR 18 1.509 -6.537 17.475 124 HD1 TYR 18 1HD TYR 18 2.505 -8.727 14.131 125 HD2 TYR 18 2HD TYR 18 4.287 -4.894 14.628 126 HE1 TYR 18 1HE TYR 18 3.003 -8.653 11.725 127 HE2 TYR 18 2HE TYR 18 4.786 -4.812 12.223 128 HH TYR 18 HH TYR 18 5.091 -6.341 10.354 129 HB2 TYR 18 2HB TYR 18 3.812 -6.310 16.546 130 HB3 TYR 18 1HB TYR 18 3.106 -7.898 16.346 131 H PHE 19 H PHE 19 -0.253 -5.024 15.739 132 HA PHE 19 HA PHE 19 1.078 -2.589 14.998 133 HD1 PHE 19 1HD PHE 19 -1.334 -5.473 13.948 134 HD2 PHE 19 2HD PHE 19 -0.253 -1.720 12.260 135 HE1 PHE 19 1HE PHE 19 -1.026 -6.550 11.759 136 HE2 PHE 19 2HE PHE 19 0.057 -2.793 10.068 137 HZ PHE 19 HZ PHE 19 -0.330 -5.211 9.816 138 HB2 PHE 19 2HB PHE 19 -1.853 -3.327 15.073 139 HB3 PHE 19 1HB PHE 19 -1.223 -1.818 14.423 140 H GLN 20 H GLN 20 0.838 -3.563 17.901 141 HA GLN 20 HA GLN 20 -0.640 -1.551 19.284 142 HB2 GLN 20 2HB GLN 20 -0.029 -3.742 20.291 143 HB3 GLN 20 1HB GLN 20 1.661 -3.260 20.262 144 HG2 GLN 20 2HG GLN 20 0.959 -1.284 21.698 145 HG3 GLN 20 1HG GLN 20 -0.567 -2.140 21.926 146 HE21 GLN 20 2HE2 GLN 20 0.962 -3.526 24.746 147 HE22 GLN 20 1HE2 GLN 20 -0.224 -2.417 24.131 148 H GLY 21 H GLY 21 2.789 -2.052 18.547 149 HA2 GLY 21 2HA GLY 21 3.154 0.847 18.461 150 HA3 GLY 21 1HA GLY 21 4.186 -0.069 19.557 151 H MET 22 H MET 22 4.819 1.491 17.079 152 HA MET 22 HA MET 22 5.996 -0.707 15.514 153 HB2 MET 22 2HB MET 22 4.924 1.952 14.581 154 HB3 MET 22 1HB MET 22 5.986 0.960 13.592 155 HG2 MET 22 2HG MET 22 3.284 0.162 14.647 156 HG3 MET 22 1HG MET 22 3.671 0.612 12.986 157 HE1 MET 22 3HE MET 22 2.601 -1.628 12.047 158 HE2 MET 22 1HE MET 22 2.149 -2.060 13.696 159 HE3 MET 22 2HE MET 22 2.990 -3.229 12.678 160 H THR 23 H THR 23 7.829 0.441 14.024 161 HA THR 23 HA THR 23 9.495 2.217 15.548 162 HB THR 23 HB THR 23 9.829 0.038 16.709 163 HG1 THR 23 1HG THR 23 11.661 1.056 17.015 164 HG21 THR 23 3HG2 THR 23 11.082 -1.746 15.572 165 HG22 THR 23 1HG2 THR 23 10.967 -0.851 14.057 166 HG23 THR 23 2HG2 THR 23 9.508 -1.476 14.826 167 H ASP 24 H ASP 24 11.925 1.616 14.449 168 HA ASP 24 HA ASP 24 12.065 3.073 12.161 169 HB2 ASP 24 2HB ASP 24 14.078 2.651 13.273 170 HB3 ASP 24 1HB ASP 24 13.835 0.910 13.261 171 H THR 25 H THR 25 12.305 -0.482 12.139 172 HA THR 25 HA THR 25 12.403 -0.588 9.311 173 HB THR 25 HB THR 25 11.821 -2.897 11.166 174 HG1 THR 25 1HG THR 25 14.091 -1.292 10.869 175 HG21 THR 25 3HG2 THR 25 13.074 -4.178 9.492 176 HG22 THR 25 1HG2 THR 25 13.301 -2.714 8.534 177 HG23 THR 25 2HG2 THR 25 11.683 -3.379 8.762 178 H ALA 26 H ALA 26 9.814 -0.616 11.578 179 HA ALA 26 HA ALA 26 7.862 -1.977 10.062 180 HB1 ALA 26 3HB ALA 26 7.443 0.207 12.103 181 HB2 ALA 26 1HB ALA 26 7.640 -1.508 12.472 182 HB3 ALA 26 2HB ALA 26 6.240 -0.959 11.550 183 H ALA 27 H ALA 27 8.804 1.415 10.270 184 HA ALA 27 HA ALA 27 6.739 2.419 8.607 185 HB1 ALA 27 3HB ALA 27 9.438 3.637 9.170 186 HB2 ALA 27 1HB ALA 27 8.009 3.820 10.186 187 HB3 ALA 27 2HB ALA 27 8.016 4.473 8.548 188 H GLU 28 H GLU 28 9.815 0.960 7.987 189 HA GLU 28 HA GLU 28 10.284 1.986 5.399 190 HB2 GLU 28 2HB GLU 28 11.838 0.692 7.072 191 HB3 GLU 28 1HB GLU 28 11.218 -0.732 6.252 192 HG2 GLU 28 2HG GLU 28 12.596 1.561 4.871 193 HG3 GLU 28 1HG GLU 28 13.396 0.083 5.391 194 H ASP 29 H ASP 29 8.869 -1.109 6.497 195 HA ASP 29 HA ASP 29 8.319 -2.017 3.869 196 HB2 ASP 29 2HB ASP 29 7.395 -2.902 6.583 197 HB3 ASP 29 1HB ASP 29 6.723 -3.617 5.118 198 H VAL 30 H VAL 30 6.401 -0.214 6.216 199 HA VAL 30 HA VAL 30 3.978 -0.284 4.763 200 HB VAL 30 HB VAL 30 4.995 1.867 6.630 201 HG11 VAL 30 1HG1 VAL 30 2.208 1.328 5.600 202 HG12 VAL 30 2HG1 VAL 30 3.206 2.736 5.239 203 HG13 VAL 30 3HG1 VAL 30 2.614 2.472 6.879 204 HG21 VAL 30 3HG2 VAL 30 3.186 -0.495 7.133 205 HG22 VAL 30 1HG2 VAL 30 3.586 0.762 8.304 206 HG23 VAL 30 2HG2 VAL 30 4.846 -0.316 7.704 207 H ARG 31 H ARG 31 6.652 2.059 4.782 208 HA ARG 31 HA ARG 31 5.684 3.786 2.800 209 HE ARG 31 HE ARG 31 10.132 2.415 2.109 210 HB2 ARG 31 2HB ARG 31 7.600 4.301 4.250 211 HB3 ARG 31 1HB ARG 31 8.534 3.028 3.486 212 HG2 ARG 31 2HG ARG 31 7.475 5.234 1.792 213 HG3 ARG 31 1HG ARG 31 8.861 5.548 2.837 214 HD2 ARG 31 2HD ARG 31 8.642 3.467 0.662 215 HD3 ARG 31 1HD ARG 31 9.660 4.905 0.665 216 HH11 ARG 31 1HH1 ARG 31 11.098 5.737 1.540 217 HH12 ARG 31 2HH1 ARG 31 12.703 5.506 2.165 218 HH21 ARG 31 2HH2 ARG 31 13.346 3.438 2.959 219 HH22 ARG 31 1HH2 ARG 31 12.228 2.097 2.900 220 H LYS 32 H LYS 32 7.420 0.753 2.615 221 HA LYS 32 HA LYS 32 8.052 0.745 -0.119 222 HB2 LYS 32 2HB LYS 32 9.010 -0.785 1.577 223 HB3 LYS 32 1HB LYS 32 7.456 -1.593 1.705 224 HG2 LYS 32 2HG LYS 32 7.645 -2.235 -0.675 225 HG3 LYS 32 1HG LYS 32 9.255 -1.516 -0.706 226 HD2 LYS 32 2HD LYS 32 8.392 -3.766 1.119 227 HD3 LYS 32 1HD LYS 32 9.296 -3.973 -0.379 228 HE2 LYS 32 2HE LYS 32 10.942 -4.039 1.263 229 HE3 LYS 32 1HE LYS 32 11.017 -2.379 0.680 230 HZ1 LYS 32 3HZ LYS 32 9.551 -1.794 2.600 231 HZ2 LYS 32 1HZ LYS 32 11.106 -2.308 3.030 232 HZ3 LYS 32 2HZ LYS 32 9.781 -3.363 3.197 233 H ILE 33 H ILE 33 5.311 -0.808 1.579 234 HA ILE 33 HA ILE 33 4.119 -1.714 -0.837 235 HB ILE 33 HB ILE 33 2.134 -2.255 0.529 236 HG12 ILE 33 2HG1 ILE 33 3.720 -1.084 2.828 237 HG13 ILE 33 1HG1 ILE 33 2.301 -0.338 2.100 238 HG21 ILE 33 1HG2 ILE 33 3.251 -3.916 1.975 239 HG22 ILE 33 2HG2 ILE 33 4.788 -3.099 1.679 240 HG23 ILE 33 3HG2 ILE 33 3.923 -3.859 0.344 241 HD11 ILE 33 3HD1 ILE 33 1.695 -1.447 4.146 242 HD12 ILE 33 1HD1 ILE 33 2.390 -2.963 3.570 243 HD13 ILE 33 2HD1 ILE 33 0.964 -2.290 2.780 244 H ALA 34 H ALA 34 3.679 1.167 1.140 245 HA ALA 34 HA ALA 34 1.292 2.099 -0.002 246 HB1 ALA 34 3HB ALA 34 1.912 4.287 0.862 247 HB2 ALA 34 1HB ALA 34 3.568 3.735 1.114 248 HB3 ALA 34 2HB ALA 34 2.251 3.028 2.051 249 H THR 35 H THR 35 4.650 2.534 -0.971 250 HA THR 35 HA THR 35 4.112 4.351 -3.087 251 HB THR 35 HB THR 35 6.483 2.490 -2.799 252 HG1 THR 35 1HG THR 35 6.432 3.715 -0.950 253 HG21 THR 35 3HG2 THR 35 7.668 4.176 -4.124 254 HG22 THR 35 1HG2 THR 35 6.189 5.128 -4.251 255 HG23 THR 35 2HG2 THR 35 6.284 3.541 -5.014 256 H ALA 36 H ALA 36 4.283 0.859 -2.831 257 HA ALA 36 HA ALA 36 4.307 0.293 -5.612 258 HB1 ALA 36 3HB ALA 36 5.052 -1.314 -3.910 259 HB2 ALA 36 1HB ALA 36 3.800 -1.994 -4.949 260 HB3 ALA 36 2HB ALA 36 3.395 -1.451 -3.321 261 H LEU 37 H LEU 37 1.677 0.257 -3.186 262 HA LEU 37 HA LEU 37 -0.329 -0.467 -5.032 263 HG LEU 37 HG LEU 37 0.375 1.600 -2.065 264 HB2 LEU 37 2HB LEU 37 -1.917 0.168 -3.295 265 HB3 LEU 37 1HB LEU 37 -0.620 -0.806 -2.646 266 HD11 LEU 37 1HD1 LEU 37 -1.410 3.094 -1.307 267 HD12 LEU 37 2HD1 LEU 37 -2.609 2.019 -2.027 268 HD13 LEU 37 3HD1 LEU 37 -1.447 2.859 -3.055 269 HD21 LEU 37 3HD2 LEU 37 -0.561 1.330 0.171 270 HD22 LEU 37 1HD2 LEU 37 -0.016 -0.211 -0.489 271 HD23 LEU 37 2HD2 LEU 37 -1.737 0.174 -0.458 272 H LEU 38 H LEU 38 1.007 2.607 -4.056 273 HA LEU 38 HA LEU 38 -0.968 4.272 -5.196 274 HG LEU 38 HG LEU 38 0.888 6.554 -6.173 275 HB2 LEU 38 2HB LEU 38 0.714 5.041 -3.565 276 HB3 LEU 38 1HB LEU 38 1.973 4.814 -4.763 277 HD11 LEU 38 1HD1 LEU 38 -0.864 6.950 -3.751 278 HD12 LEU 38 2HD1 LEU 38 -1.385 6.344 -5.323 279 HD13 LEU 38 3HD1 LEU 38 -0.802 8.001 -5.167 280 HD21 LEU 38 3HD2 LEU 38 1.606 8.444 -4.800 281 HD22 LEU 38 1HD2 LEU 38 2.748 7.103 -4.699 282 HD23 LEU 38 2HD2 LEU 38 1.623 7.404 -3.375 283 H LYS 39 H LYS 39 2.136 3.077 -6.455 284 HA LYS 39 HA LYS 39 1.927 4.418 -8.935 285 HB2 LYS 39 2HB LYS 39 4.034 3.603 -7.857 286 HB3 LYS 39 1HB LYS 39 3.562 1.967 -8.285 287 HG2 LYS 39 2HG LYS 39 5.177 2.825 -9.860 288 HG3 LYS 39 1HG LYS 39 3.621 2.572 -10.651 289 HD2 LYS 39 2HD LYS 39 4.134 5.263 -9.514 290 HD3 LYS 39 1HD LYS 39 5.066 4.811 -10.932 291 HE2 LYS 39 2HE LYS 39 2.059 4.690 -10.757 292 HE3 LYS 39 1HE LYS 39 2.959 6.038 -11.449 293 HZ1 LYS 39 3HZ LYS 39 3.021 3.236 -12.432 294 HZ2 LYS 39 1HZ LYS 39 3.877 4.536 -13.102 295 HZ3 LYS 39 2HZ LYS 39 2.180 4.511 -13.163 296 H THR 40 H THR 40 0.446 1.549 -7.779 297 HA THR 40 HA THR 40 0.073 0.522 -10.490 298 HB THR 40 HB THR 40 -0.933 -0.772 -7.955 299 HG1 THR 40 1HG THR 40 1.297 -0.537 -7.689 300 HG21 THR 40 3HG2 THR 40 -0.717 -2.821 -9.298 301 HG22 THR 40 1HG2 THR 40 -0.177 -1.855 -10.671 302 HG23 THR 40 2HG2 THR 40 -1.817 -1.663 -10.049 303 H ALA 41 H ALA 41 -1.694 2.052 -7.881 304 HA ALA 41 HA ALA 41 -4.247 1.685 -9.215 305 HB1 ALA 41 3HB ALA 41 -5.194 2.898 -7.324 306 HB2 ALA 41 1HB ALA 41 -3.572 3.255 -6.729 307 HB3 ALA 41 2HB ALA 41 -4.149 1.588 -6.772 308 H ILE 42 H ILE 42 -1.686 3.936 -9.151 309 HA ILE 42 HA ILE 42 -3.343 5.917 -10.571 310 HB ILE 42 HB ILE 42 -0.748 6.391 -9.096 311 HG12 ILE 42 2HG1 ILE 42 -2.621 5.979 -7.552 312 HG13 ILE 42 1HG1 ILE 42 -2.082 7.652 -7.475 313 HG21 ILE 42 1HG2 ILE 42 -1.205 8.775 -9.493 314 HG22 ILE 42 2HG2 ILE 42 -2.602 8.327 -10.474 315 HG23 ILE 42 3HG2 ILE 42 -0.978 7.877 -10.993 316 HD11 ILE 42 3HD1 ILE 42 -4.513 6.630 -8.923 317 HD12 ILE 42 1HD1 ILE 42 -3.967 8.307 -8.896 318 HD13 ILE 42 2HD1 ILE 42 -4.491 7.527 -7.403 319 H GLU 43 H GLU 43 -3.094 5.305 -12.635 320 HA GLU 43 HA GLU 43 -0.435 5.569 -13.795 321 HB2 GLU 43 2HB GLU 43 -0.778 3.138 -13.451 322 HB3 GLU 43 1HB GLU 43 -2.268 3.225 -14.378 323 HG2 GLU 43 2HG GLU 43 -0.706 2.386 -15.886 324 HG3 GLU 43 1HG GLU 43 -0.830 4.091 -16.297 325 H ILE 44 H ILE 44 -0.510 6.182 -16.036 326 HA ILE 44 HA ILE 44 -2.974 7.533 -16.711 327 HB ILE 44 HB ILE 44 -1.679 8.507 -18.576 328 HG12 ILE 44 2HG1 ILE 44 0.696 7.088 -17.356 329 HG13 ILE 44 1HG1 ILE 44 -0.083 6.607 -18.860 330 HG21 ILE 44 1HG2 ILE 44 -0.232 9.913 -17.181 331 HG22 ILE 44 2HG2 ILE 44 -0.417 8.765 -15.855 332 HG23 ILE 44 3HG2 ILE 44 -1.817 9.660 -16.449 333 HD11 ILE 44 3HD1 ILE 44 1.943 7.891 -19.265 334 HD12 ILE 44 1HD1 ILE 44 1.273 9.245 -18.356 335 HD13 ILE 44 2HD1 ILE 44 0.517 8.740 -19.867 336 H VAL 45 H VAL 45 -4.463 6.673 -17.953 337 HA VAL 45 HA VAL 45 -3.882 4.277 -19.485 338 HB VAL 45 HB VAL 45 -6.340 4.326 -20.016 339 HG11 VAL 45 1HG1 VAL 45 -7.044 3.704 -17.737 340 HG12 VAL 45 2HG1 VAL 45 -5.551 4.400 -17.106 341 HG13 VAL 45 3HG1 VAL 45 -5.487 2.998 -18.175 342 HG21 VAL 45 3HG2 VAL 45 -6.346 6.628 -18.068 343 HG22 VAL 45 1HG2 VAL 45 -7.774 5.831 -18.728 344 HG23 VAL 45 2HG2 VAL 45 -6.698 6.736 -19.793 345 H SER 46 H SER 46 -4.030 4.096 -21.698 346 HA SER 46 HA SER 46 -3.300 6.525 -23.065 347 HG SER 46 HG SER 46 -4.220 3.202 -24.348 348 HB2 SER 46 2HB SER 46 -2.884 4.901 -24.975 349 HB3 SER 46 1HB SER 46 -1.920 4.657 -23.520 350 H GLU 47 H GLU 47 -4.482 7.643 -24.422 351 HA GLU 47 HA GLU 47 -7.169 6.686 -25.093 352 HB2 GLU 47 2HB GLU 47 -5.902 9.425 -25.297 353 HB3 GLU 47 1HB GLU 47 -7.535 9.049 -25.830 354 HG2 GLU 47 2HG GLU 47 -6.537 8.730 -23.011 355 HG3 GLU 47 1HG GLU 47 -7.439 10.121 -23.615 356 H GLU 48 H GLU 48 -7.712 6.118 -27.122 357 HA GLU 48 HA GLU 48 -5.715 5.797 -29.117 358 HB2 GLU 48 2HB GLU 48 -8.730 5.689 -29.347 359 HB3 GLU 48 1HB GLU 48 -7.602 5.145 -30.581 360 HG2 GLU 48 2HG GLU 48 -6.703 3.490 -28.986 361 HG3 GLU 48 1HG GLU 48 -7.913 4.007 -27.813 362 H ASP 49 H ASP 49 -7.808 8.325 -28.239 363 HA ASP 49 HA ASP 49 -7.935 9.960 -30.468 364 HB2 ASP 49 2HB ASP 49 -9.091 10.501 -28.402 365 HB3 ASP 49 1HB ASP 49 -7.564 10.680 -27.547 366 H GLY 50 H GLY 50 -5.231 9.212 -28.398 367 HA2 GLY 50 2HA GLY 50 -2.993 9.504 -29.326 368 HA3 GLY 50 1HA GLY 50 -3.543 11.034 -29.996 369 H GLY 51 H GLY 51 -4.219 9.829 -26.766 370 HA2 GLY 51 2HA GLY 51 -2.275 11.621 -25.576 371 HA3 GLY 51 1HA GLY 51 -3.963 12.032 -25.300 372 H ALA 52 H ALA 52 -3.640 11.714 -23.055 373 HA ALA 52 HA ALA 52 -4.070 8.992 -22.215 374 HB1 ALA 52 3HB ALA 52 -1.637 9.021 -22.345 375 HB2 ALA 52 1HB ALA 52 -2.172 8.904 -20.669 376 HB3 ALA 52 2HB ALA 52 -1.586 10.442 -21.302 377 H HIS 53 H HIS 53 -4.929 8.830 -20.143 378 HA HIS 53 HA HIS 53 -5.400 11.382 -18.733 379 HD1 HIS 53 1HD HIS 53 -8.025 12.738 -18.478 380 HD2 HIS 53 2HD HIS 53 -8.138 10.117 -21.701 381 HE1 HIS 53 1HE HIS 53 -9.221 13.971 -20.313 382 HE2 HIS 53 2HE HIS 53 -9.473 12.279 -22.166 383 HB2 HIS 53 2HB HIS 53 -7.314 9.128 -19.279 384 HB3 HIS 53 1HB HIS 53 -7.547 10.200 -17.906 385 H ASN 54 H ASN 54 -4.884 11.391 -16.607 386 HA ASN 54 HA ASN 54 -3.995 8.885 -15.401 387 HB2 ASN 54 2HB ASN 54 -2.673 11.037 -15.155 388 HB3 ASN 54 1HB ASN 54 -3.987 11.651 -14.160 389 HD21 ASN 54 2HD2 ASN 54 -1.254 10.149 -12.083 390 HD22 ASN 54 1HD2 ASN 54 -1.271 11.289 -13.379 391 H GLN 55 H GLN 55 -5.592 7.677 -14.600 392 HA GLN 55 HA GLN 55 -7.808 9.049 -13.230 393 HB2 GLN 55 2HB GLN 55 -8.530 8.203 -15.417 394 HB3 GLN 55 1HB GLN 55 -7.964 6.594 -14.992 395 HG2 GLN 55 2HG GLN 55 -9.639 6.415 -13.269 396 HG3 GLN 55 1HG GLN 55 -10.159 8.075 -13.556 397 HE21 GLN 55 2HE2 GLN 55 -10.844 5.737 -16.806 398 HE22 GLN 55 1HE2 GLN 55 -9.259 5.923 -16.138 399 H CYS 56 H CYS 56 -7.923 8.533 -11.165 400 HA CYS 56 HA CYS 56 -6.355 6.435 -10.052 401 HG CYS 56 HG CYS 56 -9.258 9.264 -9.809 402 HB2 CYS 56 2HB CYS 56 -7.437 7.082 -7.906 403 HB3 CYS 56 1HB CYS 56 -6.727 8.445 -8.762 404 H LYS 57 H LYS 57 -6.847 4.369 -9.935 405 HA LYS 57 HA LYS 57 -9.434 3.432 -10.763 406 HB2 LYS 57 2HB LYS 57 -6.911 2.046 -9.856 407 HB3 LYS 57 1HB LYS 57 -8.364 1.170 -10.315 408 HG2 LYS 57 2HG LYS 57 -8.198 1.804 -12.542 409 HG3 LYS 57 1HG LYS 57 -7.135 3.163 -12.175 410 HD2 LYS 57 2HD LYS 57 -5.975 1.273 -13.278 411 HD3 LYS 57 1HD LYS 57 -5.309 1.674 -11.697 412 HE2 LYS 57 2HE LYS 57 -5.505 -0.762 -12.080 413 HE3 LYS 57 1HE LYS 57 -6.436 -0.202 -10.694 414 HZ1 LYS 57 3HZ LYS 57 -7.492 -1.830 -12.367 415 HZ2 LYS 57 1HZ LYS 57 -7.734 -0.452 -13.329 416 HZ3 LYS 57 2HZ LYS 57 -8.415 -0.545 -11.776 417 H LEU 58 H LEU 58 -8.591 4.729 -7.969 418 HA LEU 58 HA LEU 58 -9.809 2.680 -6.263 419 HG LEU 58 HG LEU 58 -9.420 3.586 -3.580 420 HB2 LEU 58 2HB LEU 58 -7.461 3.743 -5.877 421 HB3 LEU 58 1HB LEU 58 -8.379 5.092 -5.229 422 HD11 LEU 58 1HD1 LEU 58 -7.569 1.530 -4.781 423 HD12 LEU 58 2HD1 LEU 58 -9.331 1.524 -4.861 424 HD13 LEU 58 3HD1 LEU 58 -8.519 1.316 -3.308 425 HD21 LEU 58 3HD2 LEU 58 -7.412 4.804 -2.973 426 HD22 LEU 58 1HD2 LEU 58 -6.408 3.516 -3.637 427 HD23 LEU 58 2HD2 LEU 58 -7.413 3.208 -2.220 428 H CYS 59 H CYS 59 -10.539 5.611 -7.759 429 HA CYS 59 HA CYS 59 -12.905 5.882 -6.096 430 HG CYS 59 HG CYS 59 -11.204 6.088 -4.074 431 HB2 CYS 59 2HB CYS 59 -11.027 8.211 -6.555 432 HB3 CYS 59 1HB CYS 59 -12.626 8.324 -5.835 433 H GLY 60 H GLY 60 -11.147 6.760 -9.034 434 HA2 GLY 60 2HA GLY 60 -12.305 6.371 -11.119 435 HA3 GLY 60 1HA GLY 60 -13.779 6.929 -10.347 436 H ALA 61 H ALA 61 -11.620 9.044 -9.243 437 HA ALA 61 HA ALA 61 -12.444 11.082 -11.083 438 HB1 ALA 61 3HB ALA 61 -11.176 12.600 -9.647 439 HB2 ALA 61 1HB ALA 61 -10.519 11.222 -8.763 440 HB3 ALA 61 2HB ALA 61 -12.248 11.566 -8.704 441 H SER 62 H SER 62 -11.126 12.312 -12.447 442 HA SER 62 HA SER 62 -8.590 11.012 -13.182 443 HG SER 62 HG SER 62 -10.866 10.209 -14.151 444 HB2 SER 62 2HB SER 62 -10.501 12.554 -14.949 445 HB3 SER 62 1HB SER 62 -8.991 11.805 -15.472 446 H VAL 63 H VAL 63 -6.841 12.288 -13.731 447 HA VAL 63 HA VAL 63 -7.005 15.175 -13.191 448 HB VAL 63 HB VAL 63 -6.279 13.853 -11.142 449 HG11 VAL 63 1HG1 VAL 63 -3.954 13.061 -11.077 450 HG12 VAL 63 2HG1 VAL 63 -3.835 13.335 -12.815 451 HG13 VAL 63 3HG1 VAL 63 -4.967 12.138 -12.187 452 HG21 VAL 63 3HG2 VAL 63 -5.768 16.216 -11.324 453 HG22 VAL 63 1HG2 VAL 63 -4.303 15.848 -12.233 454 HG23 VAL 63 2HG2 VAL 63 -4.443 15.352 -10.545 455 HA PRO 64 HA PRO 64 -4.290 15.811 -16.780 456 HB2 PRO 64 1HB PRO 64 -2.870 17.585 -16.283 457 HB3 PRO 64 2HB PRO 64 -2.519 16.977 -14.660 458 HG2 PRO 64 2HG PRO 64 -4.094 18.582 -14.105 459 HG3 PRO 64 1HG PRO 64 -4.918 18.446 -15.667 460 HD2 PRO 64 2HD PRO 64 -5.357 16.933 -13.192 461 HD3 PRO 64 1HD PRO 64 -6.413 17.108 -14.605 462 H TRP 65 H TRP 65 -2.973 14.374 -17.668 463 HA TRP 65 HA TRP 65 -1.972 12.182 -16.197 464 HD1 TRP 65 HD TRP 65 0.783 11.809 -19.735 465 HE1 TRP 65 1HE TRP 65 1.464 13.670 -21.382 466 HE3 TRP 65 3HE TRP 65 -3.171 14.977 -19.052 467 HZ2 TRP 65 2HZ TRP 65 0.458 16.138 -22.264 468 HZ3 TRP 65 3HZ TRP 65 -3.238 17.073 -20.344 469 HH2 TRP 65 HH TRP 65 -1.459 17.639 -21.920 470 HB2 TRP 65 2HB TRP 65 -1.260 11.300 -18.280 471 HB3 TRP 65 1HB TRP 65 -2.716 12.219 -18.642 472 H LEU 66 H LEU 66 0.279 11.436 -16.226 473 HA LEU 66 HA LEU 66 2.541 11.585 -16.087 474 HG LEU 66 HG LEU 66 4.433 13.842 -18.298 475 HB2 LEU 66 2HB LEU 66 2.204 13.176 -18.084 476 HB3 LEU 66 1HB LEU 66 2.398 14.473 -16.928 477 HD11 LEU 66 1HD1 LEU 66 5.983 14.116 -16.431 478 HD12 LEU 66 2HD1 LEU 66 4.675 13.776 -15.297 479 HD13 LEU 66 3HD1 LEU 66 4.610 15.216 -16.313 480 HD21 LEU 66 3HD2 LEU 66 4.205 11.432 -18.194 481 HD22 LEU 66 1HD2 LEU 66 4.419 11.468 -16.442 482 HD23 LEU 66 2HD2 LEU 66 5.746 11.935 -17.505 483 H GLN 67 H GLN 67 0.590 14.148 -14.690 484 HA GLN 67 HA GLN 67 2.610 14.954 -12.820 485 HB2 GLN 67 2HB GLN 67 0.587 16.300 -13.821 486 HB3 GLN 67 1HB GLN 67 -0.281 15.622 -12.449 487 HG2 GLN 67 2HG GLN 67 1.123 16.703 -10.898 488 HG3 GLN 67 1HG GLN 67 2.305 17.115 -12.137 489 HE21 GLN 67 2HE2 GLN 67 -1.181 19.165 -12.587 490 HE22 GLN 67 1HE2 GLN 67 -1.138 17.438 -12.597 491 H THR 68 H THR 68 1.753 15.124 -10.388 492 HA THR 68 HA THR 68 2.100 12.447 -9.506 493 HB THR 68 HB THR 68 3.207 14.352 -8.420 494 HG1 THR 68 1HG THR 68 2.997 12.530 -7.141 495 HG21 THR 68 3HG2 THR 68 0.438 15.066 -7.441 496 HG22 THR 68 1HG2 THR 68 1.419 16.002 -8.570 497 HG23 THR 68 2HG2 THR 68 1.942 15.812 -6.896 498 H GLY 69 H GLY 69 -0.740 14.326 -9.990 499 HA2 GLY 69 2HA GLY 69 -2.955 13.883 -9.549 500 HA3 GLY 69 1HA GLY 69 -2.462 12.235 -9.184 501 H ASP 70 H ASP 70 -2.324 15.495 -7.789 502 HA ASP 70 HA ASP 70 -2.882 14.305 -5.134 503 HB2 ASP 70 2HB ASP 70 -0.550 15.230 -5.434 504 HB3 ASP 70 1HB ASP 70 -1.273 16.814 -5.684 505 H GLU 71 H GLU 71 -3.904 16.245 -7.605 506 HA GLU 71 HA GLU 71 -5.370 18.182 -6.001 507 HB2 GLU 71 2HB GLU 71 -5.378 17.913 -9.005 508 HB3 GLU 71 1HB GLU 71 -5.723 19.343 -8.044 509 HG2 GLU 71 2HG GLU 71 -3.636 19.870 -8.730 510 HG3 GLU 71 1HG GLU 71 -3.222 18.984 -7.268 511 H ILE 72 H ILE 72 -5.927 15.168 -6.447 512 HA ILE 72 HA ILE 72 -8.403 15.005 -7.848 513 HB ILE 72 HB ILE 72 -7.032 13.096 -5.952 514 HG12 ILE 72 2HG1 ILE 72 -5.872 13.513 -8.096 515 HG13 ILE 72 1HG1 ILE 72 -6.448 11.855 -7.962 516 HG21 ILE 72 1HG2 ILE 72 -8.589 11.383 -6.720 517 HG22 ILE 72 2HG2 ILE 72 -9.451 12.585 -7.679 518 HG23 ILE 72 3HG2 ILE 72 -9.443 12.702 -5.919 519 HD11 ILE 72 3HD1 ILE 72 -7.752 14.062 -9.532 520 HD12 ILE 72 1HD1 ILE 72 -8.368 12.418 -9.375 521 HD13 ILE 72 2HD1 ILE 72 -6.830 12.712 -10.188 522 H LYS 73 H LYS 73 -10.398 15.498 -7.107 523 HA LYS 73 HA LYS 73 -10.916 16.095 -4.372 524 HB2 LYS 73 2HB LYS 73 -12.857 15.418 -6.598 525 HB3 LYS 73 1HB LYS 73 -13.316 16.036 -5.017 526 HG2 LYS 73 2HG LYS 73 -11.819 17.447 -7.203 527 HG3 LYS 73 1HG LYS 73 -13.349 17.896 -6.447 528 HD2 LYS 73 2HD LYS 73 -10.642 17.900 -5.112 529 HD3 LYS 73 1HD LYS 73 -11.517 19.324 -5.674 530 HE2 LYS 73 2HE LYS 73 -13.221 19.014 -4.046 531 HE3 LYS 73 1HE LYS 73 -12.621 17.410 -3.629 532 HZ1 LYS 73 3HZ LYS 73 -11.964 18.979 -1.957 533 HZ2 LYS 73 1HZ LYS 73 -11.253 19.999 -3.116 534 HZ3 LYS 73 2HZ LYS 73 -10.583 18.472 -2.802 535 H HIS 74 H HIS 74 -10.740 14.631 -2.848 536 HA HIS 74 HA HIS 74 -10.951 11.813 -3.657 537 HD1 HIS 74 1HD HIS 74 -10.031 12.462 0.492 538 HD2 HIS 74 2HD HIS 74 -7.943 14.959 -2.102 539 HE1 HIS 74 1HE HIS 74 -9.249 14.401 1.894 540 HE2 HIS 74 2HE HIS 74 -7.868 15.822 0.337 541 HB2 HIS 74 2HB HIS 74 -9.318 11.372 -1.847 542 HB3 HIS 74 1HB HIS 74 -8.698 12.488 -3.057 543 H ALA 75 H ALA 75 -11.606 10.255 -2.112 544 HA ALA 75 HA ALA 75 -13.725 10.952 -0.362 545 HB1 ALA 75 3HB ALA 75 -13.715 8.618 0.258 546 HB2 ALA 75 1HB ALA 75 -12.116 8.403 -0.460 547 HB3 ALA 75 2HB ALA 75 -13.502 8.752 -1.490 548 H ASP 76 H ASP 76 -13.725 10.785 1.933 549 HA ASP 76 HA ASP 76 -11.634 12.247 3.111 550 HB2 ASP 76 2HB ASP 76 -13.972 12.233 3.942 551 HB3 ASP 76 1HB ASP 76 -13.738 10.584 4.517 552 H ASP 77 H ASP 77 -12.383 8.818 3.185 553 HA ASP 77 HA ASP 77 -10.021 8.330 4.875 554 HB2 ASP 77 2HB ASP 77 -12.290 7.533 5.611 555 HB3 ASP 77 1HB ASP 77 -12.284 6.423 4.251 556 H CYS 78 H CYS 78 -10.349 8.726 1.867 557 HA CYS 78 HA CYS 78 -9.866 6.392 0.440 558 HG CYS 78 HG CYS 78 -9.565 7.598 -2.862 559 HB2 CYS 78 2HB CYS 78 -10.340 8.565 -0.620 560 HB3 CYS 78 1HB CYS 78 -8.762 9.156 -0.114 561 HA PRO 79 HA PRO 79 -6.002 4.954 2.104 562 HB2 PRO 79 1HB PRO 79 -5.686 2.935 1.054 563 HB3 PRO 79 2HB PRO 79 -5.879 3.629 -0.560 564 HG2 PRO 79 2HG PRO 79 -7.940 2.557 -0.302 565 HG3 PRO 79 1HG PRO 79 -7.980 2.872 1.444 566 HD2 PRO 79 2HD PRO 79 -8.595 4.713 -0.827 567 HD3 PRO 79 1HD PRO 79 -9.388 4.566 0.755 568 H VAL 80 H VAL 80 -6.243 6.313 -1.158 569 HA VAL 80 HA VAL 80 -3.509 6.630 -1.688 570 HB VAL 80 HB VAL 80 -5.813 8.381 -2.583 571 HG11 VAL 80 1HG1 VAL 80 -3.017 8.147 -3.702 572 HG12 VAL 80 2HG1 VAL 80 -3.673 9.537 -2.838 573 HG13 VAL 80 3HG1 VAL 80 -4.334 9.085 -4.409 574 HG21 VAL 80 3HG2 VAL 80 -5.717 7.060 -4.644 575 HG22 VAL 80 1HG2 VAL 80 -6.070 6.047 -3.245 576 HG23 VAL 80 2HG2 VAL 80 -4.450 6.057 -3.941 577 H VAL 81 H VAL 81 -5.788 8.656 0.072 578 HA VAL 81 HA VAL 81 -4.048 10.868 0.437 579 HB VAL 81 HB VAL 81 -6.386 10.060 2.177 580 HG11 VAL 81 1HG1 VAL 81 -4.968 11.789 3.152 581 HG12 VAL 81 2HG1 VAL 81 -6.541 12.439 2.688 582 HG13 VAL 81 3HG1 VAL 81 -5.125 12.754 1.684 583 HG21 VAL 81 3HG2 VAL 81 -7.756 11.494 0.749 584 HG22 VAL 81 1HG2 VAL 81 -7.065 10.151 -0.162 585 HG23 VAL 81 2HG2 VAL 81 -6.373 11.765 -0.310 586 H ILE 82 H ILE 82 -4.826 8.012 2.351 587 HA ILE 82 HA ILE 82 -3.266 8.702 4.614 588 HB ILE 82 HB ILE 82 -4.082 5.950 3.661 589 HG12 ILE 82 2HG1 ILE 82 -6.027 7.409 3.938 590 HG13 ILE 82 1HG1 ILE 82 -5.984 6.188 5.205 591 HG21 ILE 82 1HG2 ILE 82 -2.316 5.845 5.316 592 HG22 ILE 82 2HG2 ILE 82 -3.839 5.304 6.021 593 HG23 ILE 82 3HG2 ILE 82 -3.221 6.916 6.385 594 HD11 ILE 82 3HD1 ILE 82 -5.091 7.843 6.764 595 HD12 ILE 82 1HD1 ILE 82 -6.641 8.346 6.088 596 HD13 ILE 82 2HD1 ILE 82 -5.143 9.063 5.492 597 H ALA 83 H ALA 83 -2.646 6.633 1.794 598 HA ALA 83 HA ALA 83 -0.140 5.673 2.544 599 HB1 ALA 83 3HB ALA 83 -1.168 6.176 -0.242 600 HB2 ALA 83 1HB ALA 83 -1.457 4.727 0.720 601 HB3 ALA 83 2HB ALA 83 0.180 5.123 0.192 602 H LYS 84 H LYS 84 -0.942 8.520 0.541 603 HA LYS 84 HA LYS 84 1.723 9.237 0.011 604 HB2 LYS 84 2HB LYS 84 -0.842 10.797 -0.024 605 HB3 LYS 84 1HB LYS 84 0.699 11.568 -0.371 606 HG2 LYS 84 2HG LYS 84 1.038 9.812 -2.153 607 HG3 LYS 84 1HG LYS 84 -0.650 9.360 -1.900 608 HD2 LYS 84 2HD LYS 84 -1.421 11.487 -2.600 609 HD3 LYS 84 1HD LYS 84 0.201 12.177 -2.524 610 HE2 LYS 84 2HE LYS 84 0.861 10.594 -4.355 611 HE3 LYS 84 1HE LYS 84 -0.834 10.134 -4.491 612 HZ1 LYS 84 3HZ LYS 84 -0.154 11.834 -6.115 613 HZ2 LYS 84 1HZ LYS 84 0.199 12.900 -4.845 614 HZ3 LYS 84 2HZ LYS 84 -1.395 12.375 -5.100 615 H GLN 85 H GLN 85 -0.450 10.195 2.639 616 HA GLN 85 HA GLN 85 1.245 12.060 3.856 617 HB2 GLN 85 2HB GLN 85 -0.931 10.275 4.916 618 HB3 GLN 85 1HB GLN 85 -0.058 11.384 5.953 619 HG2 GLN 85 2HG GLN 85 -0.795 13.263 4.582 620 HG3 GLN 85 1HG GLN 85 -1.664 12.146 3.528 621 HE21 GLN 85 2HE2 GLN 85 -4.395 11.756 5.647 622 HE22 GLN 85 1HE2 GLN 85 -3.533 11.168 4.269 623 H ILE 86 H ILE 86 0.927 8.561 4.323 624 HA ILE 86 HA ILE 86 2.724 8.356 6.480 625 HB ILE 86 HB ILE 86 1.886 6.286 4.448 626 HG12 ILE 86 2HG1 ILE 86 1.035 6.764 7.314 627 HG13 ILE 86 1HG1 ILE 86 0.088 7.175 5.891 628 HG21 ILE 86 1HG2 ILE 86 3.424 5.916 7.016 629 HG22 ILE 86 2HG2 ILE 86 4.032 5.647 5.383 630 HG23 ILE 86 3HG2 ILE 86 2.758 4.614 6.033 631 HD11 ILE 86 3HD1 ILE 86 -0.044 4.803 5.304 632 HD12 ILE 86 1HD1 ILE 86 -0.716 5.130 6.901 633 HD13 ILE 86 2HD1 ILE 86 0.884 4.405 6.749 634 H LEU 87 H LEU 87 3.247 7.958 2.968 635 HA LEU 87 HA LEU 87 5.973 7.191 3.319 636 HG LEU 87 HG LEU 87 3.399 8.570 1.027 637 HB2 LEU 87 2HB LEU 87 6.158 7.400 0.874 638 HB3 LEU 87 1HB LEU 87 4.812 6.404 1.382 639 HD11 LEU 87 1HD1 LEU 87 4.260 9.995 -0.776 640 HD12 LEU 87 2HD1 LEU 87 5.810 9.157 -0.688 641 HD13 LEU 87 3HD1 LEU 87 5.243 10.111 0.683 642 HD21 LEU 87 3HD2 LEU 87 3.149 6.538 -0.274 643 HD22 LEU 87 1HD2 LEU 87 4.537 6.981 -1.270 644 HD23 LEU 87 2HD2 LEU 87 3.066 7.953 -1.323 645 H SER 88 H SER 88 4.423 10.209 3.368 646 HA SER 88 HA SER 88 6.825 11.683 2.676 647 HG SER 88 HG SER 88 3.776 11.847 1.674 648 HB2 SER 88 2HB SER 88 4.139 12.656 3.673 649 HB3 SER 88 1HB SER 88 5.438 13.663 3.049 650 H SER 89 H SER 89 5.035 10.590 5.423 651 HA SER 89 HA SER 89 5.306 10.597 7.643 652 HG SER 89 HG SER 89 8.195 11.833 6.207 653 HB2 SER 89 2HB SER 89 7.559 10.514 8.560 654 HB3 SER 89 1HB SER 89 7.463 9.553 7.089 655 H ARG 90 H ARG 90 5.905 11.848 9.586 656 HA ARG 90 HA ARG 90 5.670 13.714 10.845 657 HE ARG 90 HE ARG 90 10.960 13.204 9.091 658 HB2 ARG 90 2HB ARG 90 7.231 15.138 8.687 659 HB3 ARG 90 1HB ARG 90 7.157 15.528 10.401 660 HG2 ARG 90 2HG ARG 90 8.305 13.412 10.910 661 HG3 ARG 90 1HG ARG 90 8.424 13.083 9.181 662 HD2 ARG 90 2HD ARG 90 9.653 15.273 8.970 663 HD3 ARG 90 1HD ARG 90 9.708 15.320 10.731 664 HH11 ARG 90 1HH1 ARG 90 10.835 15.151 11.997 665 HH12 ARG 90 2HH1 ARG 90 12.394 14.630 12.571 666 HH21 ARG 90 2HH2 ARG 90 13.629 13.128 11.332 667 HH22 ARG 90 1HH2 ARG 90 12.996 12.511 9.833 668 HA PRO 91 HA PRO 91 2.196 15.261 8.251 669 HB2 PRO 91 1HB PRO 91 0.801 13.653 9.104 670 HB3 PRO 91 2HB PRO 91 0.271 14.987 10.133 671 HG2 PRO 91 2HG PRO 91 1.551 14.279 11.930 672 HG3 PRO 91 1HG PRO 91 1.184 12.710 11.189 673 HD2 PRO 91 2HD PRO 91 3.722 13.585 11.654 674 HD3 PRO 91 1HD PRO 91 3.300 12.477 10.334 675 H LYS 92 H LYS 92 1.894 17.362 8.051 676 HA LYS 92 HA LYS 92 1.814 19.029 10.479 677 HB2 LYS 92 2HB LYS 92 2.701 19.816 7.697 678 HB3 LYS 92 1HB LYS 92 2.582 20.907 9.067 679 HG2 LYS 92 2HG LYS 92 4.301 19.552 10.231 680 HG3 LYS 92 1HG LYS 92 4.472 18.585 8.763 681 HD2 LYS 92 2HD LYS 92 5.082 20.612 7.516 682 HD3 LYS 92 1HD LYS 92 4.941 21.558 8.997 683 HE2 LYS 92 2HE LYS 92 6.705 20.140 10.011 684 HE3 LYS 92 1HE LYS 92 6.894 19.326 8.457 685 HZ1 LYS 92 3HZ LYS 92 7.333 22.220 8.976 686 HZ2 LYS 92 1HZ LYS 92 7.486 21.465 7.466 687 HZ3 LYS 92 2HZ LYS 92 8.542 21.058 8.729 688 H LEU 93 H LEU 93 -0.373 19.138 10.822 689 HA LEU 93 HA LEU 93 -2.200 19.605 8.635 690 HG LEU 93 HG LEU 93 -4.536 19.236 9.213 691 HB2 LEU 93 2HB LEU 93 -2.703 18.311 10.785 692 HB3 LEU 93 1HB LEU 93 -2.789 19.868 11.582 693 HD11 LEU 93 1HD1 LEU 93 -6.277 18.549 10.770 694 HD12 LEU 93 2HD1 LEU 93 -5.148 18.702 12.117 695 HD13 LEU 93 3HD1 LEU 93 -4.882 17.477 10.875 696 HD21 LEU 93 3HD2 LEU 93 -4.387 21.579 9.892 697 HD22 LEU 93 1HD2 LEU 93 -4.836 21.137 11.541 698 HD23 LEU 93 2HD2 LEU 93 -5.990 20.924 10.223 699 H HIS 94 H HIS 94 -1.933 21.528 7.668 700 HA HIS 94 HA HIS 94 -1.418 23.897 9.333 701 HD1 HIS 94 1HD HIS 94 -1.821 26.384 8.173 702 HD2 HIS 94 2HD HIS 94 1.890 25.064 6.825 703 HE1 HIS 94 1HE HIS 94 -0.313 28.396 8.244 704 HE2 HIS 94 2HE HIS 94 1.884 27.610 7.295 705 HB2 HIS 94 2HB HIS 94 -0.009 23.172 7.252 706 HB3 HIS 94 1HB HIS 94 -1.330 23.877 6.329 707 H ALA 95 H ALA 95 -3.789 22.408 7.317 708 HA ALA 95 HA ALA 95 -5.548 24.730 7.684 709 HB1 ALA 95 3HB ALA 95 -6.383 24.528 5.394 710 HB2 ALA 95 1HB ALA 95 -5.206 23.255 5.072 711 HB3 ALA 95 2HB ALA 95 -4.657 24.897 5.414 712 H VAL 96 H VAL 96 -7.706 24.260 7.915 713 HA VAL 96 HA VAL 96 -8.318 21.540 8.679 714 HB VAL 96 HB VAL 96 -10.514 22.479 9.395 715 HG11 VAL 96 1HG1 VAL 96 -9.616 23.746 11.288 716 HG12 VAL 96 2HG1 VAL 96 -8.067 23.885 10.455 717 HG13 VAL 96 3HG1 VAL 96 -8.662 22.301 10.955 718 HG21 VAL 96 3HG2 VAL 96 -10.702 24.318 7.821 719 HG22 VAL 96 1HG2 VAL 96 -9.293 25.103 8.534 720 HG23 VAL 96 2HG2 VAL 96 -10.774 24.924 9.474 721 HA MET 1 HA MET 1 -17.434 -10.321 -1.760 722 H1 MET 1 1H MET 1 -17.630 -12.090 0.600 723 H2 MET 1 2H MET 1 -16.248 -11.880 -0.352 724 H3 MET 1 3H MET 1 -17.640 -12.578 -1.024 725 HB2 MET 1 2HB MET 1 -19.619 -9.531 -1.172 726 HB3 MET 1 1HB MET 1 -19.697 -11.284 -1.263 727 HG2 MET 1 2HG MET 1 -19.477 -9.679 1.274 728 HG3 MET 1 1HG MET 1 -20.962 -10.373 0.627 729 HE1 MET 1 3HE MET 1 -21.416 -11.538 2.956 730 HE2 MET 1 1HE MET 1 -19.927 -10.863 3.609 731 HE3 MET 1 2HE MET 1 -20.257 -12.591 3.764 732 H GLY 2 H GLY 2 -17.566 -8.025 -1.189 733 HA2 GLY 2 2HA GLY 2 -15.971 -7.501 1.211 734 HA3 GLY 2 1HA GLY 2 -16.223 -6.393 -0.128 735 H SER 3 H SER 3 -17.623 -4.778 0.161 736 HA SER 3 HA SER 3 -19.535 -4.987 2.396 737 HG SER 3 HG SER 3 -20.178 -2.713 2.986 738 HB2 SER 3 2HB SER 3 -17.523 -3.515 2.871 739 HB3 SER 3 1HB SER 3 -18.070 -2.464 1.565 740 H SER 4 H SER 4 -19.767 -5.487 -0.484 741 HA SER 4 HA SER 4 -20.885 -3.403 -1.937 742 HG SER 4 HG SER 4 -19.772 -6.349 -3.625 743 HB2 SER 4 2HB SER 4 -21.625 -6.322 -2.185 744 HB3 SER 4 1HB SER 4 -21.643 -5.096 -3.454 745 H HIS 5 H HIS 5 -22.549 -2.217 -1.393 746 HA HIS 5 HA HIS 5 -24.679 -1.567 -1.009 747 HD1 HIS 5 1HD HIS 5 -26.828 -2.056 -3.348 748 HD2 HIS 5 2HD HIS 5 -27.943 -3.304 0.459 749 HE1 HIS 5 1HE HIS 5 -29.179 -1.225 -3.027 750 HE2 HIS 5 2HE HIS 5 -29.849 -2.008 -0.727 751 HB2 HIS 5 2HB HIS 5 -25.211 -3.741 -2.316 752 HB3 HIS 5 1HB HIS 5 -25.613 -4.408 -0.736 753 H HIS 6 H HIS 6 -23.707 -4.324 1.025 754 HA HIS 6 HA HIS 6 -25.135 -3.282 3.306 755 HD1 HIS 6 1HD HIS 6 -24.697 -7.353 1.965 756 HD2 HIS 6 2HD HIS 6 -26.675 -5.050 4.810 757 HE1 HIS 6 1HE HIS 6 -26.983 -8.385 2.212 758 HE2 HIS 6 2HE HIS 6 -28.196 -6.911 3.862 759 HB2 HIS 6 2HB HIS 6 -23.245 -5.589 2.906 760 HB3 HIS 6 1HB HIS 6 -23.695 -5.067 4.524 761 H HIS 7 H HIS 7 -24.437 -1.404 4.085 762 HA HIS 7 HA HIS 7 -21.627 -0.731 4.112 763 HD1 HIS 7 1HD HIS 7 -22.865 3.396 3.758 764 HD2 HIS 7 2HD HIS 7 -23.275 -0.269 1.830 765 HE1 HIS 7 1HE HIS 7 -22.853 3.916 1.297 766 HE2 HIS 7 2HE HIS 7 -23.252 1.703 0.154 767 HB2 HIS 7 2HB HIS 7 -24.119 0.732 4.983 768 HB3 HIS 7 1HB HIS 7 -22.507 1.365 5.298 769 H HIS 8 H HIS 8 -20.276 -1.076 5.725 770 HA HIS 8 HA HIS 8 -21.220 -2.513 8.037 771 HD1 HIS 8 1HD HIS 8 -19.248 -4.959 8.712 772 HD2 HIS 8 2HD HIS 8 -17.640 -1.356 10.030 773 HE1 HIS 8 1HE HIS 8 -18.241 -5.445 10.965 774 HE2 HIS 8 2HE HIS 8 -17.445 -3.209 11.821 775 HB2 HIS 8 2HB HIS 8 -19.121 -3.136 6.892 776 HB3 HIS 8 1HB HIS 8 -18.423 -1.585 7.337 777 H HIS 9 H HIS 9 -20.157 0.739 7.329 778 HA HIS 9 HA HIS 9 -21.069 1.711 9.858 779 HD1 HIS 9 1HD HIS 9 -17.297 3.466 11.437 780 HD2 HIS 9 2HD HIS 9 -20.820 1.426 12.282 781 HE1 HIS 9 1HE HIS 9 -17.898 4.093 13.799 782 HE2 HIS 9 2HE HIS 9 -20.154 3.039 14.191 783 HB2 HIS 9 2HB HIS 9 -18.632 0.646 10.106 784 HB3 HIS 9 1HB HIS 9 -18.149 2.215 9.473 785 H HIS 10 H HIS 10 -21.002 4.059 9.950 786 HA HIS 10 HA HIS 10 -20.754 5.248 7.273 787 HD1 HIS 10 1HD HIS 10 -21.469 8.698 9.423 788 HD2 HIS 10 2HD HIS 10 -23.444 7.078 6.136 789 HE1 HIS 10 1HE HIS 10 -22.108 10.655 7.978 790 HE2 HIS 10 2HE HIS 10 -23.511 9.668 6.135 791 HB2 HIS 10 2HB HIS 10 -22.971 5.433 8.317 792 HB3 HIS 10 1HB HIS 10 -22.259 6.215 9.719 793 H SER 11 H SER 11 -20.403 6.364 10.634 794 HA SER 11 HA SER 11 -18.268 8.166 9.751 795 HG SER 11 HG SER 11 -20.507 10.209 11.142 796 HB2 SER 11 2HB SER 11 -19.776 8.118 12.380 797 HB3 SER 11 1HB SER 11 -18.676 9.380 11.824 798 H SER 12 H SER 12 -16.301 7.321 9.910 799 HA SER 12 HA SER 12 -15.642 5.742 12.303 800 HG SER 12 HG SER 12 -16.411 4.022 9.333 801 HB2 SER 12 2HB SER 12 -14.681 5.190 9.481 802 HB3 SER 12 1HB SER 12 -14.248 4.271 10.924 803 H GLY 13 H GLY 13 -15.244 8.411 12.284 804 HA2 GLY 13 2HA GLY 13 -12.665 9.161 11.286 805 HA3 GLY 13 1HA GLY 13 -13.665 10.084 12.399 806 H ARG 14 H ARG 14 -11.718 7.117 12.324 807 HA ARG 14 HA ARG 14 -10.654 7.873 14.968 808 HE ARG 14 HE ARG 14 -12.484 4.858 16.820 809 HB2 ARG 14 2HB ARG 14 -12.061 5.797 14.975 810 HB3 ARG 14 1HB ARG 14 -10.919 5.071 13.854 811 HG2 ARG 14 2HG ARG 14 -9.153 5.232 15.503 812 HG3 ARG 14 1HG ARG 14 -10.252 6.033 16.629 813 HD2 ARG 14 2HD ARG 14 -10.553 3.234 15.539 814 HD3 ARG 14 1HD ARG 14 -10.004 3.658 17.159 815 HH11 ARG 14 1HH1 ARG 14 -11.146 1.617 16.914 816 HH12 ARG 14 2HH1 ARG 14 -12.623 0.888 17.470 817 HH21 ARG 14 2HH2 ARG 14 -14.479 2.165 17.847 818 HH22 ARG 14 1HH2 ARG 14 -14.438 3.890 17.569 819 H GLU 15 H GLU 15 -8.582 8.402 14.916 820 HA GLU 15 HA GLU 15 -7.043 7.747 12.509 821 HB2 GLU 15 2HB GLU 15 -5.581 9.611 13.195 822 HB3 GLU 15 1HB GLU 15 -7.256 10.117 13.017 823 HG2 GLU 15 2HG GLU 15 -7.524 9.926 15.473 824 HG3 GLU 15 1HG GLU 15 -5.805 9.558 15.593 825 H ASN 16 H ASN 16 -4.686 7.385 12.814 826 HA ASN 16 HA ASN 16 -4.185 5.605 15.059 827 HB2 ASN 16 2HB ASN 16 -2.043 5.107 13.899 828 HB3 ASN 16 1HB ASN 16 -3.447 4.814 12.880 829 HD21 ASN 16 2HD2 ASN 16 -2.521 7.067 10.427 830 HD22 ASN 16 1HD2 ASN 16 -3.673 5.901 11.004 831 H LEU 17 H LEU 17 -1.712 5.855 15.819 832 HA LEU 17 HA LEU 17 -1.446 8.663 16.671 833 HG LEU 17 HG LEU 17 0.427 8.344 19.007 834 HB2 LEU 17 2HB LEU 17 -2.213 7.000 18.416 835 HB3 LEU 17 1HB LEU 17 -0.642 6.235 18.275 836 HD11 LEU 17 1HD1 LEU 17 -0.942 10.124 19.954 837 HD12 LEU 17 2HD1 LEU 17 -2.406 9.272 19.468 838 HD13 LEU 17 3HD1 LEU 17 -1.304 9.898 18.243 839 HD21 LEU 17 3HD2 LEU 17 -1.691 7.267 20.863 840 HD22 LEU 17 1HD2 LEU 17 -0.272 8.196 21.348 841 HD23 LEU 17 2HD2 LEU 17 -0.076 6.599 20.625 842 H TYR 18 H TYR 18 -0.261 7.356 14.387 843 HA TYR 18 HA TYR 18 1.654 7.389 13.210 844 HD1 TYR 18 2HD TYR 18 2.322 9.421 11.911 845 HD2 TYR 18 1HD TYR 18 5.202 8.973 15.015 846 HE1 TYR 18 2HE TYR 18 4.110 10.013 10.330 847 HE2 TYR 18 1HE TYR 18 6.998 9.562 13.440 848 HH TYR 18 HH TYR 18 7.426 9.598 11.053 849 HB2 TYR 18 2HB TYR 18 1.788 9.601 14.492 850 HB3 TYR 18 1HB TYR 18 2.933 8.781 15.536 851 H PHE 19 H PHE 19 3.928 6.544 13.165 852 HA PHE 19 HA PHE 19 3.933 3.928 14.118 853 HD1 PHE 19 1HD PHE 19 4.967 2.379 11.894 854 HD2 PHE 19 2HD PHE 19 5.123 6.580 11.238 855 HE1 PHE 19 1HE PHE 19 4.088 2.051 9.620 856 HE2 PHE 19 2HE PHE 19 4.236 6.261 8.964 857 HZ PHE 19 HZ PHE 19 3.720 3.993 8.154 858 HB2 PHE 19 2HB PHE 19 6.234 5.601 13.108 859 HB3 PHE 19 1HB PHE 19 6.290 3.856 13.334 860 H GLN 20 H GLN 20 5.160 6.819 15.610 861 HA GLN 20 HA GLN 20 7.040 5.469 17.302 862 HB2 GLN 20 2HB GLN 20 7.299 7.825 16.510 863 HB3 GLN 20 1HB GLN 20 5.965 8.279 17.560 864 HG2 GLN 20 2HG GLN 20 7.218 7.678 19.513 865 HG3 GLN 20 1HG GLN 20 8.522 7.019 18.525 866 HE21 GLN 20 2HE2 GLN 20 10.018 10.110 17.880 867 HE22 GLN 20 1HE2 GLN 20 9.931 8.429 17.481 868 H GLY 21 H GLY 21 3.674 5.954 17.435 869 HA2 GLY 21 2HA GLY 21 3.703 5.205 20.291 870 HA3 GLY 21 1HA GLY 21 2.595 6.432 19.691 871 H MET 22 H MET 22 1.360 5.617 17.670 872 HA MET 22 HA MET 22 -0.264 4.332 16.815 873 HB2 MET 22 2HB MET 22 1.394 2.135 18.015 874 HB3 MET 22 1HB MET 22 -0.109 1.815 17.162 875 HG2 MET 22 2HG MET 22 2.366 3.112 16.054 876 HG3 MET 22 1HG MET 22 1.713 1.524 15.647 877 HE1 MET 22 3HE MET 22 1.096 3.478 12.325 878 HE2 MET 22 1HE MET 22 1.791 2.038 13.068 879 HE3 MET 22 2HE MET 22 2.489 3.624 13.397 880 H THR 23 H THR 23 -2.160 3.003 17.348 881 HA THR 23 HA THR 23 -2.948 2.862 20.110 882 HB THR 23 HB THR 23 -3.114 5.247 19.659 883 HG1 THR 23 1HG THR 23 -4.935 3.792 20.757 884 HG21 THR 23 3HG2 THR 23 -5.075 4.481 17.510 885 HG22 THR 23 1HG2 THR 23 -3.515 5.272 17.284 886 HG23 THR 23 2HG2 THR 23 -4.826 6.122 18.102 887 H ASP 24 H ASP 24 -2.737 1.079 18.032 888 HA ASP 24 HA ASP 24 -3.809 -0.848 17.428 889 HB2 ASP 24 2HB ASP 24 -5.241 -0.755 19.358 890 HB3 ASP 24 1HB ASP 24 -6.257 0.474 18.610 891 H THR 25 H THR 25 -5.278 2.210 16.501 892 HA THR 25 HA THR 25 -6.808 1.421 14.326 893 HB THR 25 HB THR 25 -5.203 3.964 14.274 894 HG1 THR 25 1HG THR 25 -6.732 4.857 15.701 895 HG21 THR 25 3HG2 THR 25 -7.267 4.869 13.306 896 HG22 THR 25 1HG2 THR 25 -8.038 3.290 13.469 897 HG23 THR 25 2HG2 THR 25 -6.672 3.497 12.372 898 H ALA 26 H ALA 26 -3.410 1.362 14.648 899 HA ALA 26 HA ALA 26 -2.489 1.823 12.067 900 HB1 ALA 26 3HB ALA 26 -1.382 -0.137 14.072 901 HB2 ALA 26 1HB ALA 26 -1.034 1.591 14.029 902 HB3 ALA 26 2HB ALA 26 -0.519 0.556 12.698 903 H ALA 27 H ALA 27 -3.936 -1.055 13.489 904 HA ALA 27 HA ALA 27 -3.230 -2.846 11.406 905 HB1 ALA 27 3HB ALA 27 -5.532 -3.020 13.345 906 HB2 ALA 27 1HB ALA 27 -3.897 -3.605 13.647 907 HB3 ALA 27 2HB ALA 27 -4.879 -4.345 12.382 908 H GLU 28 H GLU 28 -5.752 -0.526 11.828 909 HA GLU 28 HA GLU 28 -7.418 -1.566 9.723 910 HB2 GLU 28 2HB GLU 28 -7.993 -0.080 11.867 911 HB3 GLU 28 1HB GLU 28 -7.701 1.230 10.734 912 HG2 GLU 28 2HG GLU 28 -9.665 -1.005 10.288 913 HG3 GLU 28 1HG GLU 28 -10.080 0.576 10.942 914 H ASP 29 H ASP 29 -5.272 1.249 10.172 915 HA ASP 29 HA ASP 29 -5.737 2.365 7.629 916 HB2 ASP 29 2HB ASP 29 -3.541 2.723 9.642 917 HB3 ASP 29 1HB ASP 29 -3.441 3.496 8.063 918 H VAL 30 H VAL 30 -3.257 0.068 8.727 919 HA VAL 30 HA VAL 30 -1.860 0.043 6.249 920 HB VAL 30 HB VAL 30 -1.931 -2.059 8.424 921 HG11 VAL 30 1HG1 VAL 30 -0.004 -1.736 6.122 922 HG12 VAL 30 2HG1 VAL 30 -1.213 -3.011 6.289 923 HG13 VAL 30 3HG1 VAL 30 0.131 -2.914 7.427 924 HG21 VAL 30 3HG2 VAL 30 0.248 -1.096 9.063 925 HG22 VAL 30 1HG2 VAL 30 -1.077 0.057 9.227 926 HG23 VAL 30 2HG2 VAL 30 0.022 0.167 7.852 927 H ARG 31 H ARG 31 -4.414 -1.983 7.622 928 HA ARG 31 HA ARG 31 -4.696 -3.759 5.459 929 HE ARG 31 HE ARG 31 -9.933 -4.506 5.481 930 HB2 ARG 31 2HB ARG 31 -5.748 -4.388 7.461 931 HB3 ARG 31 1HB ARG 31 -6.512 -2.822 7.666 932 HG2 ARG 31 2HG ARG 31 -7.329 -4.448 5.324 933 HG3 ARG 31 1HG ARG 31 -7.853 -4.982 6.924 934 HD2 ARG 31 2HD ARG 31 -8.695 -2.628 7.298 935 HD3 ARG 31 1HD ARG 31 -8.393 -2.333 5.586 936 HH11 ARG 31 1HH1 ARG 31 -10.298 -1.488 7.258 937 HH12 ARG 31 2HH1 ARG 31 -12.030 -1.619 7.329 938 HH21 ARG 31 2HH2 ARG 31 -13.105 -3.435 6.406 939 HH22 ARG 31 1HH2 ARG 31 -12.192 -4.670 5.590 940 H LYS 32 H LYS 32 -5.998 -0.595 6.117 941 HA LYS 32 HA LYS 32 -7.906 -0.336 4.117 942 HB2 LYS 32 2HB LYS 32 -7.509 1.196 6.021 943 HB3 LYS 32 1HB LYS 32 -6.042 1.757 5.242 944 HG2 LYS 32 2HG LYS 32 -7.347 2.683 3.414 945 HG3 LYS 32 1HG LYS 32 -8.834 2.086 4.165 946 HD2 LYS 32 2HD LYS 32 -6.919 4.133 5.293 947 HD3 LYS 32 1HD LYS 32 -8.575 4.410 4.737 948 HE2 LYS 32 2HE LYS 32 -9.459 3.056 6.512 949 HE3 LYS 32 1HE LYS 32 -7.841 2.557 6.998 950 HZ1 LYS 32 3HZ LYS 32 -7.356 4.794 7.686 951 HZ2 LYS 32 1HZ LYS 32 -8.781 4.270 8.437 952 HZ3 LYS 32 2HZ LYS 32 -8.872 5.342 7.129 953 H ILE 33 H ILE 33 -4.487 0.720 4.031 954 HA ILE 33 HA ILE 33 -4.626 1.484 1.298 955 HB ILE 33 HB ILE 33 -2.159 1.649 1.389 956 HG12 ILE 33 2HG1 ILE 33 -2.482 0.704 4.246 957 HG13 ILE 33 1HG1 ILE 33 -1.764 -0.236 2.939 958 HG21 ILE 33 1HG2 ILE 33 -2.083 3.462 3.039 959 HG22 ILE 33 2HG2 ILE 33 -3.621 2.914 3.705 960 HG23 ILE 33 3HG2 ILE 33 -3.545 3.531 2.054 961 HD11 ILE 33 3HD1 ILE 33 -0.064 0.748 4.364 962 HD12 ILE 33 1HD1 ILE 33 -0.707 2.360 4.043 963 HD13 ILE 33 2HD1 ILE 33 0.014 1.420 2.736 964 H ALA 34 H ALA 34 -3.718 -1.495 2.918 965 HA ALA 34 HA ALA 34 -2.525 -2.772 0.698 966 HB1 ALA 34 3HB ALA 34 -3.959 -4.018 3.038 967 HB2 ALA 34 1HB ALA 34 -2.257 -3.560 3.003 968 HB3 ALA 34 2HB ALA 34 -2.848 -4.836 1.938 969 H THR 35 H THR 35 -5.847 -2.734 1.923 970 HA THR 35 HA THR 35 -6.964 -4.587 0.163 971 HB THR 35 HB THR 35 -8.312 -2.182 1.411 972 HG1 THR 35 1HG THR 35 -7.430 -3.523 2.995 973 HG21 THR 35 3HG2 THR 35 -10.384 -3.460 1.168 974 HG22 THR 35 1HG2 THR 35 -9.504 -4.750 0.347 975 HG23 THR 35 2HG2 THR 35 -9.646 -3.162 -0.406 976 H ALA 36 H ALA 36 -6.101 -1.252 -0.320 977 HA ALA 36 HA ALA 36 -7.688 -0.483 -2.432 978 HB1 ALA 36 3HB ALA 36 -4.763 0.151 -2.070 979 HB2 ALA 36 1HB ALA 36 -6.103 0.991 -1.288 980 HB3 ALA 36 2HB ALA 36 -5.919 1.064 -3.040 981 H LEU 37 H LEU 37 -4.701 -2.420 -2.574 982 HA LEU 37 HA LEU 37 -4.743 -2.484 -5.439 983 HG LEU 37 HG LEU 37 -3.629 -4.427 -2.504 984 HB2 LEU 37 2HB LEU 37 -2.801 -3.875 -5.288 985 HB3 LEU 37 1HB LEU 37 -2.640 -2.545 -4.167 986 HD11 LEU 37 1HD1 LEU 37 -1.967 -5.934 -4.525 987 HD12 LEU 37 2HD1 LEU 37 -3.695 -6.150 -4.246 988 HD13 LEU 37 3HD1 LEU 37 -2.538 -6.561 -2.979 989 HD21 LEU 37 3HD2 LEU 37 -1.306 -4.783 -1.791 990 HD22 LEU 37 1HD2 LEU 37 -1.640 -3.085 -2.126 991 HD23 LEU 37 2HD2 LEU 37 -0.744 -4.053 -3.295 992 H LEU 38 H LEU 38 -6.059 -4.410 -2.887 993 HA LEU 38 HA LEU 38 -6.571 -6.753 -4.448 994 HG LEU 38 HG LEU 38 -6.069 -8.219 -2.584 995 HB2 LEU 38 2HB LEU 38 -7.607 -5.740 -1.821 996 HB3 LEU 38 1HB LEU 38 -8.358 -7.120 -2.594 997 HD11 LEU 38 1HD1 LEU 38 -4.450 -7.391 -0.967 998 HD12 LEU 38 2HD1 LEU 38 -5.468 -5.984 -0.655 999 HD13 LEU 38 3HD1 LEU 38 -4.732 -6.205 -2.242 1000 HD21 LEU 38 3HD2 LEU 38 -7.329 -7.541 0.066 1001 HD22 LEU 38 1HD2 LEU 38 -6.269 -8.913 -0.259 1002 HD23 LEU 38 2HD2 LEU 38 -7.854 -8.819 -1.029 1003 H LYS 39 H LYS 39 -8.248 -3.756 -3.820 1004 HA LYS 39 HA LYS 39 -10.786 -4.459 -4.792 1005 HB2 LYS 39 2HB LYS 39 -9.353 -1.802 -4.708 1006 HB3 LYS 39 1HB LYS 39 -11.043 -1.991 -5.134 1007 HG2 LYS 39 2HG LYS 39 -11.533 -2.881 -2.930 1008 HG3 LYS 39 1HG LYS 39 -9.826 -2.772 -2.496 1009 HD2 LYS 39 2HD LYS 39 -11.116 -0.894 -1.592 1010 HD3 LYS 39 1HD LYS 39 -9.899 -0.352 -2.748 1011 HE2 LYS 39 2HE LYS 39 -12.024 0.812 -3.075 1012 HE3 LYS 39 1HE LYS 39 -11.601 -0.166 -4.479 1013 HZ1 LYS 39 3HZ LYS 39 -13.942 -0.384 -3.896 1014 HZ2 LYS 39 1HZ LYS 39 -13.525 -0.953 -2.351 1015 HZ3 LYS 39 2HZ LYS 39 -13.138 -1.866 -3.727 1016 H THR 40 H THR 40 -8.195 -2.623 -6.397 1017 HA THR 40 HA THR 40 -8.261 -4.073 -8.768 1018 HB THR 40 HB THR 40 -10.396 -3.222 -9.286 1019 HG1 THR 40 1HG THR 40 -9.828 -2.711 -11.254 1020 HG21 THR 40 3HG2 THR 40 -9.359 -0.445 -8.722 1021 HG22 THR 40 1HG2 THR 40 -10.503 -1.347 -7.728 1022 HG23 THR 40 2HG2 THR 40 -10.958 -0.836 -9.353 1023 H ALA 41 H ALA 41 -6.101 -3.880 -8.239 1024 HA ALA 41 HA ALA 41 -4.834 -1.322 -8.887 1025 HB1 ALA 41 3HB ALA 41 -3.586 -3.917 -7.974 1026 HB2 ALA 41 1HB ALA 41 -3.991 -2.550 -6.934 1027 HB3 ALA 41 2HB ALA 41 -2.753 -2.375 -8.177 1028 H ILE 42 H ILE 42 -5.455 -4.489 -10.093 1029 HA ILE 42 HA ILE 42 -3.727 -4.180 -12.406 1030 HB ILE 42 HB ILE 42 -5.771 -6.365 -12.042 1031 HG12 ILE 42 2HG1 ILE 42 -2.989 -6.312 -10.846 1032 HG13 ILE 42 1HG1 ILE 42 -4.481 -6.174 -9.927 1033 HG21 ILE 42 1HG2 ILE 42 -3.055 -6.262 -13.347 1034 HG22 ILE 42 2HG2 ILE 42 -4.612 -6.236 -14.175 1035 HG23 ILE 42 3HG2 ILE 42 -4.110 -7.674 -13.285 1036 HD11 ILE 42 3HD1 ILE 42 -3.587 -8.415 -9.785 1037 HD12 ILE 42 1HD1 ILE 42 -3.606 -8.553 -11.543 1038 HD13 ILE 42 2HD1 ILE 42 -5.123 -8.421 -10.653 1039 H GLU 43 H GLU 43 -4.701 -4.265 -14.628 1040 HA GLU 43 HA GLU 43 -7.397 -3.097 -14.629 1041 HB2 GLU 43 2HB GLU 43 -5.606 -1.340 -14.792 1042 HB3 GLU 43 1HB GLU 43 -5.123 -2.059 -16.323 1043 HG2 GLU 43 2HG GLU 43 -6.581 -0.084 -16.577 1044 HG3 GLU 43 1HG GLU 43 -7.253 -1.545 -17.302 1045 H ILE 44 H ILE 44 -8.657 -3.439 -16.415 1046 HA ILE 44 HA ILE 44 -7.811 -5.679 -18.106 1047 HB ILE 44 HB ILE 44 -10.505 -4.592 -17.337 1048 HG12 ILE 44 2HG1 ILE 44 -9.321 -6.343 -15.961 1049 HG13 ILE 44 1HG1 ILE 44 -10.923 -6.796 -16.530 1050 HG21 ILE 44 1HG2 ILE 44 -11.549 -6.174 -18.915 1051 HG22 ILE 44 2HG2 ILE 44 -9.959 -6.485 -19.609 1052 HG23 ILE 44 3HG2 ILE 44 -10.670 -4.875 -19.721 1053 HD11 ILE 44 3HD1 ILE 44 -8.294 -7.666 -17.696 1054 HD12 ILE 44 1HD1 ILE 44 -9.877 -8.052 -18.373 1055 HD13 ILE 44 2HD1 ILE 44 -9.428 -8.655 -16.776 1056 H VAL 45 H VAL 45 -6.984 -5.134 -20.006 1057 HA VAL 45 HA VAL 45 -8.193 -2.920 -21.497 1058 HB VAL 45 HB VAL 45 -6.370 -3.312 -23.161 1059 HG11 VAL 45 1HG1 VAL 45 -6.166 -1.578 -21.470 1060 HG12 VAL 45 2HG1 VAL 45 -4.594 -2.311 -21.795 1061 HG13 VAL 45 3HG1 VAL 45 -5.486 -2.744 -20.336 1062 HG21 VAL 45 3HG2 VAL 45 -5.291 -5.188 -21.061 1063 HG22 VAL 45 1HG2 VAL 45 -4.428 -4.651 -22.502 1064 HG23 VAL 45 2HG2 VAL 45 -5.876 -5.645 -22.661 1065 H SER 46 H SER 46 -9.716 -3.336 -22.954 1066 HA SER 46 HA SER 46 -10.337 -6.155 -23.429 1067 HG SER 46 HG SER 46 -12.020 -3.921 -21.715 1068 HB2 SER 46 2HB SER 46 -12.013 -3.675 -23.842 1069 HB3 SER 46 1HB SER 46 -12.574 -5.331 -24.068 1070 H GLU 47 H GLU 47 -10.594 -7.048 -25.428 1071 HA GLU 47 HA GLU 47 -9.280 -5.578 -27.593 1072 HB2 GLU 47 2HB GLU 47 -9.400 -8.389 -26.765 1073 HB3 GLU 47 1HB GLU 47 -9.567 -8.150 -28.500 1074 HG2 GLU 47 2HG GLU 47 -7.336 -6.965 -26.869 1075 HG3 GLU 47 1HG GLU 47 -7.230 -8.526 -27.682 1076 H GLU 48 H GLU 48 -10.025 -5.923 -29.781 1077 HA GLU 48 HA GLU 48 -12.801 -5.246 -30.010 1078 HB2 GLU 48 2HB GLU 48 -10.873 -4.336 -31.392 1079 HB3 GLU 48 1HB GLU 48 -10.860 -5.876 -32.234 1080 HG2 GLU 48 2HG GLU 48 -12.083 -4.477 -33.620 1081 HG3 GLU 48 1HG GLU 48 -13.314 -5.401 -32.757 1082 H ASP 49 H ASP 49 -10.798 -7.999 -30.839 1083 HA ASP 49 HA ASP 49 -12.561 -9.451 -32.413 1084 HB2 ASP 49 2HB ASP 49 -10.208 -10.024 -32.238 1085 HB3 ASP 49 1HB ASP 49 -10.411 -10.460 -30.545 1086 H GLY 50 H GLY 50 -12.029 -9.770 -28.912 1087 HA2 GLY 50 2HA GLY 50 -14.457 -10.014 -27.894 1088 HA3 GLY 50 1HA GLY 50 -14.331 -11.556 -28.732 1089 H GLY 51 H GLY 51 -12.570 -9.514 -26.438 1090 HA2 GLY 51 2HA GLY 51 -12.417 -11.392 -24.413 1091 HA3 GLY 51 1HA GLY 51 -10.961 -11.564 -25.389 1092 H ALA 52 H ALA 52 -10.179 -10.893 -23.136 1093 HA ALA 52 HA ALA 52 -9.526 -8.080 -23.261 1094 HB1 ALA 52 3HB ALA 52 -10.227 -7.571 -21.008 1095 HB2 ALA 52 1HB ALA 52 -10.828 -9.214 -20.788 1096 HB3 ALA 52 2HB ALA 52 -11.610 -8.133 -21.942 1097 H HIS 53 H HIS 53 -7.986 -7.541 -21.366 1098 HA HIS 53 HA HIS 53 -6.329 -9.867 -20.676 1099 HD1 HIS 53 1HD HIS 53 -3.882 -10.776 -22.469 1100 HD2 HIS 53 2HD HIS 53 -6.454 -8.201 -24.487 1101 HE1 HIS 53 1HE HIS 53 -4.240 -11.804 -24.727 1102 HE2 HIS 53 2HE HIS 53 -5.880 -10.293 -25.902 1103 HB2 HIS 53 2HB HIS 53 -5.331 -7.364 -22.053 1104 HB3 HIS 53 1HB HIS 53 -4.276 -8.535 -21.267 1105 H ASN 54 H ASN 54 -5.427 -9.727 -18.671 1106 HA ASN 54 HA ASN 54 -5.858 -7.208 -17.197 1107 HB2 ASN 54 2HB ASN 54 -7.243 -9.304 -16.578 1108 HB3 ASN 54 1HB ASN 54 -5.737 -9.956 -15.947 1109 HD21 ASN 54 2HD2 ASN 54 -6.691 -8.609 -12.906 1110 HD22 ASN 54 1HD2 ASN 54 -6.391 -10.020 -13.854 1111 H GLN 55 H GLN 55 -3.892 -6.248 -17.091 1112 HA GLN 55 HA GLN 55 -1.550 -7.978 -16.627 1113 HB2 GLN 55 2HB GLN 55 -1.698 -5.323 -18.060 1114 HB3 GLN 55 1HB GLN 55 -0.201 -6.150 -17.667 1115 HG2 GLN 55 2HG GLN 55 -0.399 -6.933 -19.753 1116 HG3 GLN 55 1HG GLN 55 -1.473 -8.106 -18.993 1117 HE21 GLN 55 2HE2 GLN 55 -2.968 -6.394 -22.014 1118 HE22 GLN 55 1HE2 GLN 55 -1.400 -7.053 -21.719 1119 H CYS 56 H CYS 56 -0.502 -7.748 -14.790 1120 HA CYS 56 HA CYS 56 -0.969 -5.434 -13.093 1121 HG CYS 56 HG CYS 56 0.243 -7.033 -9.788 1122 HB2 CYS 56 2HB CYS 56 -0.825 -7.663 -12.057 1123 HB3 CYS 56 1HB CYS 56 0.800 -7.867 -12.700 1124 H LYS 57 H LYS 57 0.204 -3.628 -13.393 1125 HA LYS 57 HA LYS 57 2.326 -3.671 -15.318 1126 HB2 LYS 57 2HB LYS 57 0.593 -1.864 -15.119 1127 HB3 LYS 57 1HB LYS 57 1.376 -1.351 -13.634 1128 HG2 LYS 57 2HG LYS 57 2.163 0.098 -15.303 1129 HG3 LYS 57 1HG LYS 57 3.478 -1.038 -15.003 1130 HD2 LYS 57 2HD LYS 57 1.486 -1.448 -17.217 1131 HD3 LYS 57 1HD LYS 57 2.937 -0.474 -17.435 1132 HE2 LYS 57 2HE LYS 57 4.313 -2.416 -16.810 1133 HE3 LYS 57 1HE LYS 57 2.849 -3.384 -16.641 1134 HZ1 LYS 57 3HZ LYS 57 3.802 -2.098 -19.143 1135 HZ2 LYS 57 1HZ LYS 57 2.380 -3.010 -18.991 1136 HZ3 LYS 57 2HZ LYS 57 3.892 -3.753 -18.783 1137 H LEU 58 H LEU 58 2.131 -3.821 -11.908 1138 HA LEU 58 HA LEU 58 4.749 -2.692 -11.443 1139 HG LEU 58 HG LEU 58 5.401 -2.982 -8.850 1140 HB2 LEU 58 2HB LEU 58 2.589 -2.727 -9.903 1141 HB3 LEU 58 1HB LEU 58 3.290 -4.240 -9.357 1142 HD11 LEU 58 1HD1 LEU 58 5.225 -0.546 -8.657 1143 HD12 LEU 58 2HD1 LEU 58 3.613 -0.613 -9.374 1144 HD13 LEU 58 3HD1 LEU 58 5.021 -1.089 -10.323 1145 HD21 LEU 58 3HD2 LEU 58 2.911 -2.069 -7.414 1146 HD22 LEU 58 1HD2 LEU 58 4.553 -2.049 -6.771 1147 HD23 LEU 58 2HD2 LEU 58 3.762 -3.585 -7.124 1148 H CYS 59 H CYS 59 3.406 -5.781 -12.080 1149 HA CYS 59 HA CYS 59 5.882 -7.091 -11.176 1150 HG CYS 59 HG CYS 59 5.932 -9.863 -11.703 1151 HB2 CYS 59 2HB CYS 59 3.863 -7.931 -10.075 1152 HB3 CYS 59 1HB CYS 59 3.138 -8.279 -11.640 1153 H GLY 60 H GLY 60 3.767 -6.532 -13.891 1154 HA2 GLY 60 2HA GLY 60 4.337 -6.738 -16.150 1155 HA3 GLY 60 1HA GLY 60 5.753 -7.675 -15.688 1156 H ALA 61 H ALA 61 3.081 -8.776 -14.046 1157 HA ALA 61 HA ALA 61 2.973 -11.178 -15.653 1158 HB1 ALA 61 3HB ALA 61 3.079 -11.350 -13.213 1159 HB2 ALA 61 1HB ALA 61 1.598 -12.071 -13.841 1160 HB3 ALA 61 2HB ALA 61 1.551 -10.481 -13.082 1161 H SER 62 H SER 62 1.248 -11.868 -16.840 1162 HA SER 62 HA SER 62 -1.067 -10.065 -17.014 1163 HG SER 62 HG SER 62 -1.373 -10.879 -20.440 1164 HB2 SER 62 2HB SER 62 0.449 -9.706 -18.938 1165 HB3 SER 62 1HB SER 62 0.328 -11.418 -19.340 1166 H VAL 63 H VAL 63 -2.985 -11.028 -16.917 1167 HA VAL 63 HA VAL 63 -3.155 -13.889 -17.561 1168 HB VAL 63 HB VAL 63 -3.241 -13.789 -15.156 1169 HG11 VAL 63 1HG1 VAL 63 -5.445 -11.759 -15.453 1170 HG12 VAL 63 2HG1 VAL 63 -3.826 -11.468 -14.816 1171 HG13 VAL 63 3HG1 VAL 63 -4.947 -12.512 -13.937 1172 HG21 VAL 63 3HG2 VAL 63 -5.453 -14.747 -14.716 1173 HG22 VAL 63 1HG2 VAL 63 -4.735 -15.380 -16.198 1174 HG23 VAL 63 2HG2 VAL 63 -6.006 -14.161 -16.284 1175 HA PRO 64 HA PRO 64 -5.984 -12.094 -20.421 1176 HB2 PRO 64 1HB PRO 64 -5.252 -13.685 -21.900 1177 HB3 PRO 64 2HB PRO 64 -6.855 -14.370 -21.607 1178 HG2 PRO 64 2HG PRO 64 -6.050 -15.944 -20.111 1179 HG3 PRO 64 1HG PRO 64 -4.640 -15.804 -21.175 1180 HD2 PRO 64 2HD PRO 64 -4.527 -15.390 -18.486 1181 HD3 PRO 64 1HD PRO 64 -3.446 -14.585 -19.640 1182 H TRP 65 H TRP 65 -7.459 -11.304 -18.875 1183 HA TRP 65 HA TRP 65 -9.535 -10.941 -18.086 1184 HD1 TRP 65 HD TRP 65 -11.541 -9.939 -17.975 1185 HE1 TRP 65 1HE TRP 65 -14.106 -9.775 -18.117 1186 HE3 TRP 65 3HE TRP 65 -12.360 -13.293 -21.737 1187 HZ2 TRP 65 2HZ TRP 65 -16.203 -10.920 -19.625 1188 HZ3 TRP 65 3HZ TRP 65 -14.672 -13.704 -22.476 1189 HH2 TRP 65 HH TRP 65 -16.554 -12.539 -21.441 1190 HB2 TRP 65 2HB TRP 65 -9.935 -11.074 -20.538 1191 HB3 TRP 65 1HB TRP 65 -10.382 -12.764 -20.336 1192 H LEU 66 H LEU 66 -10.604 -14.105 -19.165 1193 HA LEU 66 HA LEU 66 -11.228 -14.707 -16.374 1194 HG LEU 66 HG LEU 66 -14.593 -15.443 -17.462 1195 HB2 LEU 66 2HB LEU 66 -12.630 -15.091 -18.878 1196 HB3 LEU 66 1HB LEU 66 -12.515 -16.588 -17.973 1197 HD11 LEU 66 1HD1 LEU 66 -14.400 -15.345 -15.026 1198 HD12 LEU 66 2HD1 LEU 66 -12.643 -15.335 -15.168 1199 HD13 LEU 66 3HD1 LEU 66 -13.562 -16.747 -15.691 1200 HD21 LEU 66 3HD2 LEU 66 -14.599 -13.282 -16.317 1201 HD22 LEU 66 1HD2 LEU 66 -13.917 -13.159 -17.938 1202 HD23 LEU 66 2HD2 LEU 66 -12.852 -13.167 -16.531 1203 H GLN 67 H GLN 67 -9.381 -15.567 -15.676 1204 HA GLN 67 HA GLN 67 -8.842 -18.295 -16.570 1205 HB2 GLN 67 2HB GLN 67 -7.174 -16.568 -17.546 1206 HB3 GLN 67 1HB GLN 67 -6.584 -16.411 -15.900 1207 HG2 GLN 67 2HG GLN 67 -5.174 -17.932 -17.071 1208 HG3 GLN 67 1HG GLN 67 -6.107 -18.834 -15.880 1209 HE21 GLN 67 2HE2 GLN 67 -7.617 -19.254 -19.639 1210 HE22 GLN 67 1HE2 GLN 67 -7.425 -17.692 -18.911 1211 H THR 68 H THR 68 -7.433 -19.402 -14.824 1212 HA THR 68 HA THR 68 -8.749 -19.158 -12.348 1213 HB THR 68 HB THR 68 -6.263 -20.541 -12.025 1214 HG1 THR 68 1HG THR 68 -6.054 -20.749 -14.213 1215 HG21 THR 68 3HG2 THR 68 -9.084 -21.538 -12.445 1216 HG22 THR 68 1HG2 THR 68 -8.355 -21.114 -10.896 1217 HG23 THR 68 2HG2 THR 68 -7.739 -22.489 -11.814 1218 H GLY 69 H GLY 69 -5.375 -18.345 -13.260 1219 HA2 GLY 69 2HA GLY 69 -5.077 -15.874 -12.546 1220 HA3 GLY 69 1HA GLY 69 -5.312 -16.523 -10.938 1221 H ASP 70 H ASP 70 -3.762 -18.818 -10.976 1222 HA ASP 70 HA ASP 70 -1.196 -17.484 -10.709 1223 HB2 ASP 70 2HB ASP 70 -2.202 -18.950 -8.923 1224 HB3 ASP 70 1HB ASP 70 -1.854 -20.330 -9.958 1225 H GLU 71 H GLU 71 -2.468 -18.587 -13.312 1226 HA GLU 71 HA GLU 71 -0.586 -20.535 -14.241 1227 HB2 GLU 71 2HB GLU 71 -2.604 -18.847 -15.724 1228 HB3 GLU 71 1HB GLU 71 -1.594 -20.061 -16.496 1229 HG2 GLU 71 2HG GLU 71 -3.750 -21.002 -16.081 1230 HG3 GLU 71 1HG GLU 71 -2.586 -21.768 -15.004 1231 H ILE 72 H ILE 72 -0.358 -17.257 -13.713 1232 HA ILE 72 HA ILE 72 1.790 -16.964 -15.691 1233 HB ILE 72 HB ILE 72 0.031 -15.177 -15.563 1234 HG12 ILE 72 2HG1 ILE 72 1.639 -13.274 -15.562 1235 HG13 ILE 72 1HG1 ILE 72 2.873 -14.357 -14.926 1236 HG21 ILE 72 1HG2 ILE 72 -0.376 -15.181 -13.183 1237 HG22 ILE 72 2HG2 ILE 72 0.137 -13.575 -13.700 1238 HG23 ILE 72 3HG2 ILE 72 1.274 -14.640 -12.872 1239 HD11 ILE 72 3HD1 ILE 72 3.110 -14.031 -17.321 1240 HD12 ILE 72 1HD1 ILE 72 1.478 -14.648 -17.575 1241 HD13 ILE 72 2HD1 ILE 72 2.734 -15.712 -16.941 1242 H LYS 73 H LYS 73 1.270 -17.947 -12.645 1243 HA LYS 73 HA LYS 73 2.499 -18.413 -10.824 1244 HB2 LYS 73 2HB LYS 73 4.141 -19.214 -12.492 1245 HB3 LYS 73 1HB LYS 73 4.888 -17.626 -12.495 1246 HG2 LYS 73 2HG LYS 73 6.245 -18.906 -11.098 1247 HG3 LYS 73 1HG LYS 73 5.245 -17.970 -9.990 1248 HD2 LYS 73 2HD LYS 73 4.653 -20.811 -10.821 1249 HD3 LYS 73 1HD LYS 73 5.531 -20.373 -9.357 1250 HE2 LYS 73 2HE LYS 73 3.572 -19.089 -8.600 1251 HE3 LYS 73 1HE LYS 73 2.698 -19.599 -10.042 1252 HZ1 LYS 73 3HZ LYS 73 3.063 -21.933 -9.268 1253 HZ2 LYS 73 1HZ LYS 73 2.047 -21.003 -8.279 1254 HZ3 LYS 73 2HZ LYS 73 3.650 -21.301 -7.808 1255 H HIS 74 H HIS 74 2.046 -17.091 -9.225 1256 HA HIS 74 HA HIS 74 2.467 -14.343 -9.122 1257 HD1 HIS 74 1HD HIS 74 3.754 -15.709 -5.074 1258 HD2 HIS 74 2HD HIS 74 1.342 -18.303 -7.269 1259 HE1 HIS 74 1HE HIS 74 4.058 -17.974 -4.033 1260 HE2 HIS 74 2HE HIS 74 2.658 -19.545 -5.422 1261 HB2 HIS 74 2HB HIS 74 2.158 -14.511 -6.691 1262 HB3 HIS 74 1HB HIS 74 0.980 -15.488 -7.553 1263 H ALA 75 H ALA 75 4.178 -13.091 -8.843 1264 HA ALA 75 HA ALA 75 6.734 -14.276 -8.070 1265 HB1 ALA 75 3HB ALA 75 6.096 -11.511 -9.108 1266 HB2 ALA 75 1HB ALA 75 6.702 -12.865 -10.066 1267 HB3 ALA 75 2HB ALA 75 7.711 -12.154 -8.808 1268 H ASP 76 H ASP 76 7.371 -14.190 -6.019 1269 HA ASP 76 HA ASP 76 5.744 -12.777 -4.116 1270 HB2 ASP 76 2HB ASP 76 8.124 -14.599 -3.786 1271 HB3 ASP 76 1HB ASP 76 7.198 -13.928 -2.458 1272 H ASP 77 H ASP 77 8.440 -11.974 -5.882 1273 HA ASP 77 HA ASP 77 9.850 -10.442 -3.901 1274 HB2 ASP 77 2HB ASP 77 10.063 -10.516 -6.914 1275 HB3 ASP 77 1HB ASP 77 11.099 -9.530 -5.887 1276 H CYS 78 H CYS 78 6.943 -9.962 -5.306 1277 HA CYS 78 HA CYS 78 7.229 -7.107 -5.772 1278 HG CYS 78 HG CYS 78 5.637 -9.891 -8.224 1279 HB2 CYS 78 2HB CYS 78 4.811 -8.905 -6.011 1280 HB3 CYS 78 1HB CYS 78 4.885 -7.218 -6.508 1281 HA PRO 79 HA PRO 79 6.200 -5.919 -1.650 1282 HB2 PRO 79 1HB PRO 79 6.209 -3.633 -1.708 1283 HB3 PRO 79 2HB PRO 79 4.929 -3.558 -2.923 1284 HG2 PRO 79 2HG PRO 79 6.776 -2.997 -4.233 1285 HG3 PRO 79 1HG PRO 79 7.868 -4.018 -3.278 1286 HD2 PRO 79 2HD PRO 79 5.913 -4.807 -5.406 1287 HD3 PRO 79 1HD PRO 79 7.553 -5.418 -5.093 1288 H VAL 80 H VAL 80 3.802 -6.118 -4.162 1289 HA VAL 80 HA VAL 80 1.503 -5.654 -2.597 1290 HB VAL 80 HB VAL 80 0.265 -6.847 -4.377 1291 HG11 VAL 80 1HG1 VAL 80 0.810 -5.302 -6.195 1292 HG12 VAL 80 2HG1 VAL 80 2.318 -4.885 -5.380 1293 HG13 VAL 80 3HG1 VAL 80 0.772 -4.485 -4.632 1294 HG21 VAL 80 3HG2 VAL 80 2.991 -7.352 -5.559 1295 HG22 VAL 80 1HG2 VAL 80 1.450 -7.673 -6.354 1296 HG23 VAL 80 2HG2 VAL 80 1.901 -8.574 -4.907 1297 H VAL 81 H VAL 81 3.536 -8.456 -3.058 1298 HA VAL 81 HA VAL 81 1.725 -10.344 -1.895 1299 HB VAL 81 HB VAL 81 4.730 -10.524 -2.240 1300 HG11 VAL 81 1HG1 VAL 81 2.670 -12.668 -1.722 1301 HG12 VAL 81 2HG1 VAL 81 3.922 -12.126 -0.603 1302 HG13 VAL 81 3HG1 VAL 81 4.370 -12.956 -2.093 1303 HG21 VAL 81 3HG2 VAL 81 2.501 -11.527 -4.011 1304 HG22 VAL 81 1HG2 VAL 81 4.223 -11.806 -4.263 1305 HG23 VAL 81 2HG2 VAL 81 3.571 -10.172 -4.366 1306 H ILE 82 H ILE 82 4.324 -8.288 -0.747 1307 HA ILE 82 HA ILE 82 4.557 -9.194 1.885 1308 HB ILE 82 HB ILE 82 4.781 -6.362 0.832 1309 HG12 ILE 82 2HG1 ILE 82 6.326 -7.977 -0.235 1310 HG13 ILE 82 1HG1 ILE 82 7.176 -6.783 0.735 1311 HG21 ILE 82 1HG2 ILE 82 6.126 -5.913 2.835 1312 HG22 ILE 82 2HG2 ILE 82 5.773 -7.537 3.424 1313 HG23 ILE 82 3HG2 ILE 82 4.470 -6.364 3.245 1314 HD11 ILE 82 3HD1 ILE 82 6.567 -9.607 1.574 1315 HD12 ILE 82 1HD1 ILE 82 7.427 -8.403 2.534 1316 HD13 ILE 82 2HD1 ILE 82 8.128 -8.994 1.027 1317 H ALA 83 H ALA 83 2.404 -6.754 0.470 1318 HA ALA 83 HA ALA 83 1.030 -6.016 2.782 1319 HB1 ALA 83 3HB ALA 83 -0.037 -6.113 -0.038 1320 HB2 ALA 83 1HB ALA 83 0.880 -4.784 0.671 1321 HB3 ALA 83 2HB ALA 83 -0.716 -5.190 1.302 1322 H LYS 84 H LYS 84 0.474 -8.683 0.537 1323 HA LYS 84 HA LYS 84 -1.998 -9.567 1.507 1324 HB2 LYS 84 2HB LYS 84 0.281 -11.087 0.240 1325 HB3 LYS 84 1HB LYS 84 -1.277 -11.811 0.604 1326 HG2 LYS 84 2HG LYS 84 -0.797 -9.500 -1.262 1327 HG3 LYS 84 1HG LYS 84 -1.135 -11.168 -1.730 1328 HD2 LYS 84 2HD LYS 84 -3.298 -10.965 -0.453 1329 HD3 LYS 84 1HD LYS 84 -2.965 -9.239 -0.310 1330 HE2 LYS 84 2HE LYS 84 -4.423 -9.565 -2.178 1331 HE3 LYS 84 1HE LYS 84 -2.831 -9.127 -2.794 1332 HZ1 LYS 84 3HZ LYS 84 -3.742 -10.923 -4.079 1333 HZ2 LYS 84 1HZ LYS 84 -3.993 -11.861 -2.686 1334 HZ3 LYS 84 2HZ LYS 84 -2.415 -11.505 -3.195 1335 H GLN 85 H GLN 85 1.281 -10.262 2.592 1336 HA GLN 85 HA GLN 85 0.460 -12.214 4.517 1337 HB2 GLN 85 2HB GLN 85 2.976 -11.039 3.600 1338 HB3 GLN 85 1HB GLN 85 2.955 -11.379 5.326 1339 HG2 GLN 85 2HG GLN 85 3.858 -13.237 4.009 1340 HG3 GLN 85 1HG GLN 85 2.414 -13.688 4.913 1341 HE21 GLN 85 2HE2 GLN 85 2.488 -13.835 0.870 1342 HE22 GLN 85 1HE2 GLN 85 3.788 -13.153 1.781 1343 H ILE 86 H ILE 86 1.072 -8.760 4.561 1344 HA ILE 86 HA ILE 86 1.126 -8.427 7.367 1345 HB ILE 86 HB ILE 86 0.308 -6.440 5.242 1346 HG12 ILE 86 2HG1 ILE 86 2.956 -6.862 6.643 1347 HG13 ILE 86 1HG1 ILE 86 2.602 -7.321 4.982 1348 HG21 ILE 86 1HG2 ILE 86 0.776 -4.728 6.919 1349 HG22 ILE 86 2HG2 ILE 86 1.117 -5.981 8.110 1350 HG23 ILE 86 3HG2 ILE 86 -0.513 -5.806 7.458 1351 HD11 ILE 86 3HD1 ILE 86 3.870 -5.250 5.088 1352 HD12 ILE 86 1HD1 ILE 86 2.605 -4.516 6.072 1353 HD13 ILE 86 2HD1 ILE 86 2.268 -4.976 4.404 1354 H LEU 87 H LEU 87 -1.534 -8.226 5.008 1355 HA LEU 87 HA LEU 87 -3.462 -7.564 7.035 1356 HG LEU 87 HG LEU 87 -2.781 -8.732 3.589 1357 HB2 LEU 87 2HB LEU 87 -5.126 -7.809 5.219 1358 HB3 LEU 87 1HB LEU 87 -3.824 -6.704 4.841 1359 HD11 LEU 87 1HD1 LEU 87 -4.320 -10.432 4.396 1360 HD12 LEU 87 2HD1 LEU 87 -4.445 -10.262 2.645 1361 HD13 LEU 87 3HD1 LEU 87 -5.680 -9.558 3.689 1362 HD21 LEU 87 3HD2 LEU 87 -5.215 -7.283 2.562 1363 HD22 LEU 87 1HD2 LEU 87 -4.028 -8.125 1.566 1364 HD23 LEU 87 2HD2 LEU 87 -3.547 -6.710 2.501 1365 H SER 88 H SER 88 -1.906 -10.333 6.412 1366 HA SER 88 HA SER 88 -4.179 -12.113 6.845 1367 HG SER 88 HG SER 88 -2.830 -14.383 7.296 1368 HB2 SER 88 2HB SER 88 -2.507 -12.663 5.087 1369 HB3 SER 88 1HB SER 88 -1.267 -12.775 6.333 1370 H SER 89 H SER 89 -2.890 -10.232 8.861 1371 HA SER 89 HA SER 89 -1.684 -11.983 10.798 1372 HG SER 89 HG SER 89 -1.918 -8.484 9.771 1373 HB2 SER 89 2HB SER 89 -1.932 -9.795 12.221 1374 HB3 SER 89 1HB SER 89 -0.758 -9.862 10.907 1375 H ARG 90 H ARG 90 -3.549 -13.438 10.816 1376 HA ARG 90 HA ARG 90 -5.323 -14.405 11.819 1377 HE ARG 90 HE ARG 90 -5.284 -15.606 16.363 1378 HB2 ARG 90 2HB ARG 90 -4.804 -12.281 13.894 1379 HB3 ARG 90 1HB ARG 90 -6.014 -13.541 14.085 1380 HG2 ARG 90 2HG ARG 90 -4.250 -15.241 13.889 1381 HG3 ARG 90 1HG ARG 90 -3.048 -13.956 13.755 1382 HD2 ARG 90 2HD ARG 90 -3.087 -14.741 16.025 1383 HD3 ARG 90 1HD ARG 90 -3.765 -13.117 15.973 1384 HH11 ARG 90 1HH1 ARG 90 -5.075 -12.117 16.514 1385 HH12 ARG 90 2HH1 ARG 90 -6.579 -11.928 17.367 1386 HH21 ARG 90 2HH2 ARG 90 -7.806 -13.805 17.958 1387 HH22 ARG 90 1HH2 ARG 90 -7.225 -15.390 17.529 1388 HA PRO 91 HA PRO 91 -8.519 -11.546 10.293 1389 HB2 PRO 91 1HB PRO 91 -7.923 -12.057 8.108 1390 HB3 PRO 91 2HB PRO 91 -9.383 -13.041 8.254 1391 HG2 PRO 91 2HG PRO 91 -8.193 -14.996 8.508 1392 HG3 PRO 91 1HG PRO 91 -6.995 -14.095 7.566 1393 HD2 PRO 91 2HD PRO 91 -6.628 -15.120 10.147 1394 HD3 PRO 91 1HD PRO 91 -5.603 -13.912 9.348 1395 H LYS 92 H LYS 92 -10.901 -12.436 9.602 1396 HA LYS 92 HA LYS 92 -11.801 -13.891 11.934 1397 HB2 LYS 92 2HB LYS 92 -12.961 -11.844 10.944 1398 HB3 LYS 92 1HB LYS 92 -13.504 -12.896 9.645 1399 HG2 LYS 92 2HG LYS 92 -15.216 -12.582 11.368 1400 HG3 LYS 92 1HG LYS 92 -14.723 -14.271 11.221 1401 HD2 LYS 92 2HD LYS 92 -13.375 -14.124 13.186 1402 HD3 LYS 92 1HD LYS 92 -13.587 -12.375 13.270 1403 HE2 LYS 92 2HE LYS 92 -15.783 -14.421 13.587 1404 HE3 LYS 92 1HE LYS 92 -14.978 -13.575 14.908 1405 HZ1 LYS 92 3HZ LYS 92 -15.731 -11.468 13.676 1406 HZ2 LYS 92 1HZ LYS 92 -16.890 -12.343 14.555 1407 HZ3 LYS 92 2HZ LYS 92 -16.820 -12.489 12.872 1408 H LEU 93 H LEU 93 -10.412 -15.711 10.979 1409 HA LEU 93 HA LEU 93 -10.151 -17.727 9.990 1410 HG LEU 93 HG LEU 93 -12.245 -19.665 8.767 1411 HB2 LEU 93 2HB LEU 93 -12.093 -18.239 11.426 1412 HB3 LEU 93 1HB LEU 93 -13.170 -17.800 10.117 1413 HD11 LEU 93 1HD1 LEU 93 -10.043 -19.799 9.806 1414 HD12 LEU 93 2HD1 LEU 93 -10.866 -21.358 9.856 1415 HD13 LEU 93 3HD1 LEU 93 -10.778 -20.360 11.308 1416 HD21 LEU 93 3HD2 LEU 93 -14.285 -19.981 10.060 1417 HD22 LEU 93 1HD2 LEU 93 -13.333 -20.449 11.470 1418 HD23 LEU 93 2HD2 LEU 93 -13.330 -21.463 10.026 1419 H HIS 94 H HIS 94 -13.189 -17.639 8.342 1420 HA HIS 94 HA HIS 94 -12.589 -16.190 6.057 1421 HD1 HIS 94 1HD HIS 94 -12.371 -19.890 3.336 1422 HD2 HIS 94 2HD HIS 94 -11.845 -15.773 3.592 1423 HE1 HIS 94 1HE HIS 94 -12.593 -19.030 0.985 1424 HE2 HIS 94 2HE HIS 94 -12.528 -16.521 1.210 1425 HB2 HIS 94 2HB HIS 94 -10.821 -17.904 5.686 1426 HB3 HIS 94 1HB HIS 94 -12.064 -19.151 5.669 1427 H ALA 95 H ALA 95 -14.727 -15.645 6.244 1428 HA ALA 95 HA ALA 95 -16.733 -17.755 6.017 1429 HB1 ALA 95 3HB ALA 95 -17.119 -14.786 6.400 1430 HB2 ALA 95 1HB ALA 95 -17.049 -15.975 7.703 1431 HB3 ALA 95 2HB ALA 95 -18.357 -16.036 6.522 1432 H VAL 96 H VAL 96 -17.313 -18.373 4.077 1433 HA VAL 96 HA VAL 96 -17.962 -18.389 1.911 1434 HB VAL 96 HB VAL 96 -18.151 -15.375 2.115 1435 HG11 VAL 96 1HG1 VAL 96 -19.434 -17.320 0.194 1436 HG12 VAL 96 2HG1 VAL 96 -18.148 -16.175 -0.189 1437 HG13 VAL 96 3HG1 VAL 96 -19.747 -15.585 0.261 1438 HG21 VAL 96 3HG2 VAL 96 -20.559 -15.772 2.535 1439 HG22 VAL 96 1HG2 VAL 96 -19.522 -16.377 3.828 1440 HG23 VAL 96 2HG2 VAL 96 -20.219 -17.498 2.659 Start of MODEL 12 1 HA MET 1 HA MET 1 40.532 -19.567 -8.914 2 H1 MET 1 1H MET 1 42.194 -21.595 -7.553 3 H2 MET 1 2H MET 1 42.381 -19.915 -7.416 4 H3 MET 1 3H MET 1 42.634 -20.675 -8.911 5 HB2 MET 1 2HB MET 1 40.381 -22.580 -8.787 6 HB3 MET 1 1HB MET 1 39.028 -21.575 -9.290 7 HG2 MET 1 2HG MET 1 40.120 -22.396 -11.236 8 HG3 MET 1 1HG MET 1 40.446 -20.669 -11.111 9 HE1 MET 1 3HE MET 1 42.379 -20.918 -12.900 10 HE2 MET 1 1HE MET 1 42.050 -22.640 -13.020 11 HE3 MET 1 2HE MET 1 43.707 -22.078 -12.777 12 H GLY 2 H GLY 2 38.904 -18.765 -7.793 13 HA2 GLY 2 2HA GLY 2 37.916 -20.139 -5.415 14 HA3 GLY 2 1HA GLY 2 38.656 -18.563 -5.161 15 H SER 3 H SER 3 36.385 -20.000 -7.493 16 HA SER 3 HA SER 3 34.864 -17.511 -7.479 17 HG SER 3 HG SER 3 35.382 -18.327 -10.790 18 HB2 SER 3 2HB SER 3 34.569 -19.985 -9.202 19 HB3 SER 3 1HB SER 3 33.687 -18.472 -9.414 20 H SER 4 H SER 4 34.443 -20.964 -6.838 21 HA SER 4 HA SER 4 31.675 -20.801 -6.254 22 HG SER 4 HG SER 4 31.937 -22.675 -7.667 23 HB2 SER 4 2HB SER 4 33.709 -22.896 -5.451 24 HB3 SER 4 1HB SER 4 31.957 -23.079 -5.351 25 H HIS 5 H HIS 5 31.090 -19.377 -4.733 26 HA HIS 5 HA HIS 5 31.882 -19.967 -1.978 27 HD1 HIS 5 1HD HIS 5 31.477 -15.718 -0.965 28 HD2 HIS 5 2HD HIS 5 33.816 -19.066 -0.166 29 HE1 HIS 5 1HE HIS 5 32.228 -15.469 1.420 30 HE2 HIS 5 2HE HIS 5 33.822 -17.386 1.802 31 HB2 HIS 5 2HB HIS 5 33.295 -18.051 -2.955 32 HB3 HIS 5 1HB HIS 5 31.805 -17.117 -2.977 33 H HIS 6 H HIS 6 29.812 -20.870 -1.831 34 HA HIS 6 HA HIS 6 27.576 -18.978 -2.194 35 HD1 HIS 6 1HD HIS 6 26.061 -19.396 -4.803 36 HD2 HIS 6 2HD HIS 6 29.152 -22.176 -4.742 37 HE1 HIS 6 1HE HIS 6 26.892 -19.538 -7.173 38 HE2 HIS 6 2HE HIS 6 28.874 -21.096 -7.075 39 HB2 HIS 6 2HB HIS 6 27.546 -21.985 -2.515 40 HB3 HIS 6 1HB HIS 6 26.148 -20.931 -2.670 41 H HIS 7 H HIS 7 27.161 -18.268 -0.172 42 HA HIS 7 HA HIS 7 25.598 -20.033 1.384 43 HD1 HIS 7 1HD HIS 7 30.076 -19.739 1.873 44 HD2 HIS 7 2HD HIS 7 27.676 -17.313 4.256 45 HE1 HIS 7 1HE HIS 7 31.599 -17.958 2.784 46 HE2 HIS 7 2HE HIS 7 30.110 -16.436 4.134 47 HB2 HIS 7 2HB HIS 7 26.789 -19.950 3.503 48 HB3 HIS 7 1HB HIS 7 27.785 -20.718 2.278 49 H HIS 8 H HIS 8 24.095 -18.943 2.501 50 HA HIS 8 HA HIS 8 24.471 -16.084 2.999 51 HD1 HIS 8 1HD HIS 8 23.818 -13.894 1.002 52 HD2 HIS 8 2HD HIS 8 23.524 -17.557 -0.958 53 HE1 HIS 8 1HE HIS 8 24.830 -13.537 -1.274 54 HE2 HIS 8 2HE HIS 8 24.460 -15.704 -2.504 55 HB2 HIS 8 2HB HIS 8 22.162 -17.247 1.419 56 HB3 HIS 8 1HB HIS 8 22.166 -15.624 2.094 57 H HIS 9 H HIS 9 24.284 -16.108 5.147 58 HA HIS 9 HA HIS 9 22.714 -17.981 6.562 59 HD1 HIS 9 1HD HIS 9 23.012 -14.538 9.629 60 HD2 HIS 9 2HD HIS 9 24.865 -14.255 5.914 61 HE1 HIS 9 1HE HIS 9 23.515 -12.093 9.304 62 HE2 HIS 9 2HE HIS 9 24.744 -11.958 7.106 63 HB2 HIS 9 2HB HIS 9 23.261 -16.742 8.569 64 HB3 HIS 9 1HB HIS 9 24.686 -16.848 7.551 65 H HIS 10 H HIS 10 20.595 -18.055 6.129 66 HA HIS 10 HA HIS 10 19.072 -15.622 6.747 67 HD1 HIS 10 1HD HIS 10 16.053 -17.890 4.058 68 HD2 HIS 10 2HD HIS 10 16.841 -14.328 6.040 69 HE1 HIS 10 1HE HIS 10 13.811 -16.816 4.435 70 HE2 HIS 10 2HE HIS 10 14.313 -14.853 5.936 71 HB2 HIS 10 2HB HIS 10 18.913 -15.946 4.355 72 HB3 HIS 10 1HB HIS 10 18.455 -17.634 4.571 73 H SER 11 H SER 11 18.888 -16.351 8.862 74 HA SER 11 HA SER 11 16.932 -18.524 9.190 75 HG SER 11 HG SER 11 19.211 -19.190 9.486 76 HB2 SER 11 2HB SER 11 18.700 -17.216 11.278 77 HB3 SER 11 1HB SER 11 17.631 -18.595 11.531 78 H SER 12 H SER 12 14.933 -18.018 10.041 79 HA SER 12 HA SER 12 14.102 -15.337 9.725 80 HG SER 12 HG SER 12 12.042 -15.019 9.871 81 HB2 SER 12 2HB SER 12 12.691 -17.479 9.473 82 HB3 SER 12 1HB SER 12 12.496 -17.397 11.225 83 H GLY 13 H GLY 13 13.677 -13.738 11.150 84 HA2 GLY 13 2HA GLY 13 14.949 -14.121 13.776 85 HA3 GLY 13 1HA GLY 13 14.790 -12.592 12.929 86 H ARG 14 H ARG 14 14.136 -12.911 15.590 87 HA ARG 14 HA ARG 14 11.318 -12.153 15.492 88 HE ARG 14 HE ARG 14 9.107 -15.634 16.943 89 HB2 ARG 14 2HB ARG 14 11.326 -14.533 16.157 90 HB3 ARG 14 1HB ARG 14 12.409 -14.153 17.487 91 HG2 ARG 14 2HG ARG 14 10.660 -12.669 18.427 92 HG3 ARG 14 1HG ARG 14 9.574 -13.202 17.143 93 HD2 ARG 14 2HD ARG 14 10.877 -14.988 19.194 94 HD3 ARG 14 1HD ARG 14 9.206 -14.428 19.240 95 HH11 ARG 14 1HH1 ARG 14 10.879 -16.680 19.792 96 HH12 ARG 14 2HH1 ARG 14 10.821 -18.365 19.354 97 HH21 ARG 14 2HH2 ARG 14 9.744 -19.030 17.461 98 HH22 ARG 14 1HH2 ARG 14 8.989 -17.871 16.409 99 H GLU 15 H GLU 15 11.808 -10.043 15.899 100 HA GLU 15 HA GLU 15 12.706 -9.469 18.615 101 HB2 GLU 15 2HB GLU 15 14.697 -9.294 17.085 102 HB3 GLU 15 1HB GLU 15 13.864 -8.003 16.235 103 HG2 GLU 15 2HG GLU 15 13.804 -6.708 18.336 104 HG3 GLU 15 1HG GLU 15 14.732 -7.989 19.116 105 H ASN 16 H ASN 16 12.374 -7.207 15.946 106 HA ASN 16 HA ASN 16 9.725 -6.407 16.931 107 HB2 ASN 16 2HB ASN 16 12.048 -4.584 16.270 108 HB3 ASN 16 1HB ASN 16 10.385 -4.019 16.366 109 HD21 ASN 16 2HD2 ASN 16 12.564 -4.660 19.705 110 HD22 ASN 16 1HD2 ASN 16 13.166 -5.038 18.127 111 H LEU 17 H LEU 17 8.273 -6.433 15.347 112 HA LEU 17 HA LEU 17 9.081 -6.019 12.587 113 HG LEU 17 HG LEU 17 10.317 -8.551 13.623 114 HB2 LEU 17 2HB LEU 17 7.817 -8.568 13.579 115 HB3 LEU 17 1HB LEU 17 7.885 -8.108 11.891 116 HD11 LEU 17 1HD1 LEU 17 10.579 -10.652 12.403 117 HD12 LEU 17 2HD1 LEU 17 9.042 -10.374 11.587 118 HD13 LEU 17 3HD1 LEU 17 9.080 -10.631 13.331 119 HD21 LEU 17 3HD2 LEU 17 11.518 -8.572 11.489 120 HD22 LEU 17 1HD2 LEU 17 10.703 -7.031 11.756 121 HD23 LEU 17 2HD2 LEU 17 10.015 -8.211 10.640 122 H TYR 18 H TYR 18 6.241 -7.599 13.875 123 HA TYR 18 HA TYR 18 4.523 -5.832 12.375 124 HD1 TYR 18 1HD TYR 18 3.247 -6.993 10.684 125 HD2 TYR 18 2HD TYR 18 1.261 -7.881 14.338 126 HE1 TYR 18 1HE TYR 18 1.079 -6.738 9.558 127 HE2 TYR 18 2HE TYR 18 -0.918 -7.632 13.220 128 HH TYR 18 HH TYR 18 -1.211 -7.371 9.788 129 HB2 TYR 18 2HB TYR 18 4.290 -8.402 12.741 130 HB3 TYR 18 1HB TYR 18 3.571 -7.959 14.283 131 H PHE 19 H PHE 19 2.343 -5.308 13.723 132 HA PHE 19 HA PHE 19 2.942 -3.137 15.328 133 HD1 PHE 19 1HD PHE 19 0.891 -1.139 14.736 134 HD2 PHE 19 2HD PHE 19 0.334 -4.872 12.764 135 HE1 PHE 19 1HE PHE 19 0.455 0.044 12.626 136 HE2 PHE 19 2HE PHE 19 -0.104 -3.690 10.649 137 HZ PHE 19 HZ PHE 19 -0.043 -1.230 10.580 138 HB2 PHE 19 2HB PHE 19 0.393 -4.749 15.156 139 HB3 PHE 19 1HB PHE 19 0.522 -3.206 15.993 140 H GLN 20 H GLN 20 2.600 -2.700 17.539 141 HA GLN 20 HA GLN 20 2.797 -3.039 19.774 142 HB2 GLN 20 2HB GLN 20 1.073 -4.799 19.530 143 HB3 GLN 20 1HB GLN 20 2.334 -5.970 19.184 144 HG2 GLN 20 2HG GLN 20 3.262 -5.590 21.436 145 HG3 GLN 20 1HG GLN 20 1.928 -4.485 21.773 146 HE21 GLN 20 2HE2 GLN 20 0.571 -8.225 20.976 147 HE22 GLN 20 1HE2 GLN 20 1.516 -7.333 19.835 148 H GLY 21 H GLY 21 4.837 -3.838 17.463 149 HA2 GLY 21 2HA GLY 21 7.055 -4.039 19.325 150 HA3 GLY 21 1HA GLY 21 6.873 -5.395 18.217 151 H MET 22 H MET 22 6.906 -1.833 18.148 152 HA MET 22 HA MET 22 8.254 -1.985 15.536 153 HB2 MET 22 2HB MET 22 6.338 -0.079 16.738 154 HB3 MET 22 1HB MET 22 7.607 0.622 15.747 155 HG2 MET 22 2HG MET 22 5.762 0.287 14.339 156 HG3 MET 22 1HG MET 22 6.935 -0.960 13.932 157 HE1 MET 22 3HE MET 22 3.584 -2.787 13.251 158 HE2 MET 22 1HE MET 22 5.176 -2.358 12.623 159 HE3 MET 22 2HE MET 22 3.979 -1.099 12.930 160 H THR 23 H THR 23 10.329 -1.451 15.405 161 HA THR 23 HA THR 23 11.477 0.332 17.434 162 HB THR 23 HB THR 23 13.651 -0.305 16.110 163 HG1 THR 23 1HG THR 23 13.156 -2.706 15.504 164 HG21 THR 23 3HG2 THR 23 13.235 -0.913 18.434 165 HG22 THR 23 1HG2 THR 23 13.963 -2.263 17.563 166 HG23 THR 23 2HG2 THR 23 12.236 -2.270 17.918 167 H ASP 24 H ASP 24 12.010 -0.175 13.943 168 HA ASP 24 HA ASP 24 11.217 2.512 13.297 169 HB2 ASP 24 2HB ASP 24 13.463 2.949 14.199 170 HB3 ASP 24 1HB ASP 24 14.148 1.786 13.066 171 H THR 25 H THR 25 12.830 -0.453 12.327 172 HA THR 25 HA THR 25 12.970 -0.015 9.580 173 HB THR 25 HB THR 25 12.893 -2.644 9.577 174 HG1 THR 25 1HG THR 25 13.818 -2.759 12.089 175 HG21 THR 25 3HG2 THR 25 15.065 -1.049 10.945 176 HG22 THR 25 1HG2 THR 25 14.905 -1.313 9.208 177 HG23 THR 25 2HG2 THR 25 15.255 -2.671 10.279 178 H ALA 26 H ALA 26 10.246 -0.875 11.519 179 HA ALA 26 HA ALA 26 8.667 -2.149 9.555 180 HB1 ALA 26 3HB ALA 26 6.797 -1.759 11.052 181 HB2 ALA 26 1HB ALA 26 7.747 -0.589 11.967 182 HB3 ALA 26 2HB ALA 26 8.211 -2.291 11.965 183 H ALA 27 H ALA 27 9.507 1.149 10.063 184 HA ALA 27 HA ALA 27 7.251 2.313 8.741 185 HB1 ALA 27 3HB ALA 27 10.005 3.454 9.215 186 HB2 ALA 27 1HB ALA 27 8.622 3.607 10.298 187 HB3 ALA 27 2HB ALA 27 8.582 4.364 8.705 188 H GLU 28 H GLU 28 10.261 0.936 7.750 189 HA GLU 28 HA GLU 28 10.400 2.135 5.175 190 HB2 GLU 28 2HB GLU 28 12.371 1.252 6.343 191 HB3 GLU 28 1HB GLU 28 11.703 -0.369 6.255 192 HG2 GLU 28 2HG GLU 28 13.455 0.022 4.595 193 HG3 GLU 28 1HG GLU 28 11.903 -0.371 3.857 194 H ASP 29 H ASP 29 8.908 -0.749 6.474 195 HA ASP 29 HA ASP 29 8.525 -2.044 3.957 196 HB2 ASP 29 2HB ASP 29 8.647 -3.271 6.100 197 HB3 ASP 29 1HB ASP 29 7.124 -2.538 6.593 198 H VAL 30 H VAL 30 6.261 -0.390 6.188 199 HA VAL 30 HA VAL 30 4.052 -0.639 4.460 200 HB VAL 30 HB VAL 30 2.948 0.976 5.919 201 HG11 VAL 30 1HG1 VAL 30 4.551 -1.097 7.391 202 HG12 VAL 30 2HG1 VAL 30 3.001 -1.345 6.587 203 HG13 VAL 30 3HG1 VAL 30 3.101 -0.300 8.004 204 HG21 VAL 30 3HG2 VAL 30 4.896 2.448 6.306 205 HG22 VAL 30 1HG2 VAL 30 5.572 1.214 7.368 206 HG23 VAL 30 2HG2 VAL 30 4.049 2.002 7.787 207 H ARG 31 H ARG 31 6.501 1.856 4.831 208 HA ARG 31 HA ARG 31 5.243 3.795 3.178 209 HE ARG 31 HE ARG 31 10.221 4.469 3.370 210 HB2 ARG 31 2HB ARG 31 7.020 4.427 4.701 211 HB3 ARG 31 1HB ARG 31 8.149 3.357 3.887 212 HG2 ARG 31 2HG ARG 31 8.123 4.744 1.920 213 HG3 ARG 31 1HG ARG 31 6.862 5.765 2.618 214 HD2 ARG 31 2HD ARG 31 9.136 6.748 2.795 215 HD3 ARG 31 1HD ARG 31 8.351 6.508 4.356 216 HH11 ARG 31 1HH1 ARG 31 9.445 7.019 5.649 217 HH12 ARG 31 2HH1 ARG 31 10.709 6.590 6.760 218 HH21 ARG 31 2HH2 ARG 31 12.054 4.781 6.345 219 HH22 ARG 31 1HH2 ARG 31 11.875 3.866 4.873 220 H LYS 32 H LYS 32 7.166 0.973 2.593 221 HA LYS 32 HA LYS 32 7.916 1.559 -0.082 222 HB2 LYS 32 2HB LYS 32 8.969 -0.123 1.516 223 HB3 LYS 32 1HB LYS 32 7.627 -1.189 1.124 224 HG2 LYS 32 2HG LYS 32 8.297 -1.314 -1.158 225 HG3 LYS 32 1HG LYS 32 9.496 -0.038 -0.932 226 HD2 LYS 32 2HD LYS 32 9.532 -2.788 0.310 227 HD3 LYS 32 1HD LYS 32 10.602 -2.189 -0.959 228 HE2 LYS 32 2HE LYS 32 10.426 -1.084 1.847 229 HE3 LYS 32 1HE LYS 32 11.676 -2.177 1.254 230 HZ1 LYS 32 3HZ LYS 32 11.166 0.428 -0.047 231 HZ2 LYS 32 1HZ LYS 32 12.549 -0.548 -0.138 232 HZ3 LYS 32 2HZ LYS 32 12.195 0.304 1.292 233 H ILE 33 H ILE 33 5.349 -0.528 1.299 234 HA ILE 33 HA ILE 33 4.217 -1.178 -1.215 235 HB ILE 33 HB ILE 33 2.168 -1.818 0.056 236 HG12 ILE 33 2HG1 ILE 33 3.770 -1.090 2.513 237 HG13 ILE 33 1HG1 ILE 33 2.477 -0.091 1.858 238 HG21 ILE 33 1HG2 ILE 33 4.767 -2.918 1.120 239 HG22 ILE 33 2HG2 ILE 33 3.943 -3.427 -0.353 240 HG23 ILE 33 3HG2 ILE 33 3.193 -3.714 1.217 241 HD11 ILE 33 3HD1 ILE 33 2.180 -2.912 2.859 242 HD12 ILE 33 1HD1 ILE 33 0.886 -1.895 2.226 243 HD13 ILE 33 2HD1 ILE 33 1.708 -1.449 3.722 244 H ALA 34 H ALA 34 3.700 1.481 1.022 245 HA ALA 34 HA ALA 34 1.372 2.556 -0.100 246 HB1 ALA 34 3HB ALA 34 3.663 4.006 1.217 247 HB2 ALA 34 1HB ALA 34 2.265 3.311 2.035 248 HB3 ALA 34 2HB ALA 34 2.055 4.670 0.931 249 H THR 35 H THR 35 4.759 2.932 -0.959 250 HA THR 35 HA THR 35 4.282 4.860 -3.016 251 HB THR 35 HB THR 35 6.676 3.041 -2.701 252 HG1 THR 35 1HG THR 35 6.336 4.231 -0.775 253 HG21 THR 35 3HG2 THR 35 7.876 4.845 -3.857 254 HG22 THR 35 1HG2 THR 35 6.364 5.738 -4.022 255 HG23 THR 35 2HG2 THR 35 6.571 4.196 -4.851 256 H ALA 36 H ALA 36 4.633 1.369 -2.850 257 HA ALA 36 HA ALA 36 4.801 0.866 -5.614 258 HB1 ALA 36 3HB ALA 36 4.288 -1.454 -5.031 259 HB2 ALA 36 1HB ALA 36 3.830 -0.944 -3.408 260 HB3 ALA 36 2HB ALA 36 5.498 -0.763 -3.951 261 H LEU 37 H LEU 37 2.005 0.998 -3.419 262 HA LEU 37 HA LEU 37 0.164 0.028 -5.319 263 HG LEU 37 HG LEU 37 0.640 2.251 -2.378 264 HB2 LEU 37 2HB LEU 37 -1.574 0.827 -3.800 265 HB3 LEU 37 1HB LEU 37 -0.348 -0.104 -2.978 266 HD11 LEU 37 1HD1 LEU 37 -1.070 3.958 -2.077 267 HD12 LEU 37 2HD1 LEU 37 -2.262 2.918 -2.857 268 HD13 LEU 37 3HD1 LEU 37 -0.895 3.540 -3.782 269 HD21 LEU 37 3HD2 LEU 37 -1.848 1.153 -1.080 270 HD22 LEU 37 1HD2 LEU 37 -0.680 2.241 -0.330 271 HD23 LEU 37 2HD2 LEU 37 -0.197 0.606 -0.785 272 H LEU 38 H LEU 38 1.516 3.177 -4.812 273 HA LEU 38 HA LEU 38 -0.490 4.594 -6.276 274 HG LEU 38 HG LEU 38 0.838 5.293 -3.610 275 HB2 LEU 38 2HB LEU 38 2.346 5.309 -5.547 276 HB3 LEU 38 1HB LEU 38 1.258 6.399 -6.390 277 HD11 LEU 38 1HD1 LEU 38 2.631 6.942 -3.711 278 HD12 LEU 38 2HD1 LEU 38 1.215 7.595 -2.887 279 HD13 LEU 38 3HD1 LEU 38 1.560 8.066 -4.551 280 HD21 LEU 38 3HD2 LEU 38 -0.780 7.295 -5.186 281 HD22 LEU 38 1HD2 LEU 38 -1.059 6.824 -3.508 282 HD23 LEU 38 2HD2 LEU 38 -1.270 5.645 -4.801 283 H LYS 39 H LYS 39 2.448 2.892 -7.081 284 HA LYS 39 HA LYS 39 2.544 3.964 -9.753 285 HB2 LYS 39 2HB LYS 39 4.181 1.786 -8.447 286 HB3 LYS 39 1HB LYS 39 4.515 2.529 -9.999 287 HG2 LYS 39 2HG LYS 39 4.760 4.712 -8.850 288 HG3 LYS 39 1HG LYS 39 4.567 3.872 -7.313 289 HD2 LYS 39 2HD LYS 39 6.901 4.154 -7.660 290 HD3 LYS 39 1HD LYS 39 6.543 2.453 -7.958 291 HE2 LYS 39 2HE LYS 39 6.621 2.790 -10.329 292 HE3 LYS 39 1HE LYS 39 6.754 4.536 -10.129 293 HZ1 LYS 39 3HZ LYS 39 8.907 3.668 -10.606 294 HZ2 LYS 39 1HZ LYS 39 8.784 2.496 -9.381 295 HZ3 LYS 39 2HZ LYS 39 8.893 4.137 -8.978 296 H THR 40 H THR 40 1.050 1.315 -8.178 297 HA THR 40 HA THR 40 0.689 -0.106 -10.708 298 HB THR 40 HB THR 40 1.272 -1.435 -8.681 299 HG1 THR 40 1HG THR 40 -1.243 -1.910 -9.941 300 HG21 THR 40 3HG2 THR 40 -1.489 -0.647 -7.745 301 HG22 THR 40 1HG2 THR 40 0.035 -0.147 -7.011 302 HG23 THR 40 2HG2 THR 40 -0.442 -1.845 -6.983 303 H ALA 41 H ALA 41 -0.901 2.133 -8.682 304 HA ALA 41 HA ALA 41 -3.546 1.502 -9.710 305 HB1 ALA 41 3HB ALA 41 -3.349 2.176 -7.383 306 HB2 ALA 41 1HB ALA 41 -4.318 3.340 -8.286 307 HB3 ALA 41 2HB ALA 41 -2.645 3.718 -7.872 308 H ILE 42 H ILE 42 -0.875 3.403 -10.568 309 HA ILE 42 HA ILE 42 -2.555 5.001 -12.380 310 HB ILE 42 HB ILE 42 0.267 5.596 -11.497 311 HG12 ILE 42 2HG1 ILE 42 -1.365 5.920 -9.674 312 HG13 ILE 42 1HG1 ILE 42 -0.685 7.452 -10.218 313 HG21 ILE 42 1HG2 ILE 42 -0.102 7.780 -12.598 314 HG22 ILE 42 2HG2 ILE 42 -1.643 7.178 -13.210 315 HG23 ILE 42 3HG2 ILE 42 -0.134 6.422 -13.721 316 HD11 ILE 42 3HD1 ILE 42 -3.074 7.620 -9.801 317 HD12 ILE 42 1HD1 ILE 42 -3.376 6.349 -10.986 318 HD13 ILE 42 2HD1 ILE 42 -2.702 7.893 -11.503 319 H GLU 43 H GLU 43 -2.714 3.475 -13.967 320 HA GLU 43 HA GLU 43 -0.248 3.042 -15.495 321 HB2 GLU 43 2HB GLU 43 -0.898 0.935 -14.370 322 HB3 GLU 43 1HB GLU 43 -2.476 1.021 -15.139 323 HG2 GLU 43 2HG GLU 43 -1.042 -0.552 -16.289 324 HG3 GLU 43 1HG GLU 43 -1.431 0.813 -17.331 325 H ILE 44 H ILE 44 -0.577 2.851 -17.786 326 HA ILE 44 HA ILE 44 -3.063 4.166 -18.654 327 HB ILE 44 HB ILE 44 -1.395 5.891 -18.528 328 HG12 ILE 44 2HG1 ILE 44 -1.706 5.070 -21.423 329 HG13 ILE 44 1HG1 ILE 44 -2.935 5.907 -20.481 330 HG21 ILE 44 1HG2 ILE 44 0.330 4.122 -20.252 331 HG22 ILE 44 2HG2 ILE 44 0.604 4.525 -18.557 332 HG23 ILE 44 3HG2 ILE 44 0.708 5.782 -19.789 333 HD11 ILE 44 3HD1 ILE 44 -1.480 7.823 -20.231 334 HD12 ILE 44 1HD1 ILE 44 -1.676 7.418 -21.937 335 HD13 ILE 44 2HD1 ILE 44 -0.192 6.978 -21.090 336 H VAL 45 H VAL 45 -4.086 3.053 -20.130 337 HA VAL 45 HA VAL 45 -2.612 1.212 -21.865 338 HB VAL 45 HB VAL 45 -4.993 0.582 -22.644 339 HG11 VAL 45 1HG1 VAL 45 -4.117 -0.026 -19.828 340 HG12 VAL 45 2HG1 VAL 45 -3.598 -0.866 -21.287 341 HG13 VAL 45 3HG1 VAL 45 -5.281 -0.961 -20.768 342 HG21 VAL 45 3HG2 VAL 45 -6.784 0.980 -21.039 343 HG22 VAL 45 1HG2 VAL 45 -6.149 2.504 -21.657 344 HG23 VAL 45 2HG2 VAL 45 -5.693 1.951 -20.047 345 H SER 46 H SER 46 -1.824 2.170 -23.605 346 HA SER 46 HA SER 46 -3.301 4.432 -24.705 347 HG SER 46 HG SER 46 -1.212 4.813 -26.928 348 HB2 SER 46 2HB SER 46 -0.953 4.835 -24.108 349 HB3 SER 46 1HB SER 46 -0.453 3.570 -25.227 350 H GLU 47 H GLU 47 -4.104 4.459 -26.684 351 HA GLU 47 HA GLU 47 -3.968 2.079 -28.330 352 HB2 GLU 47 2HB GLU 47 -5.255 4.785 -28.778 353 HB3 GLU 47 1HB GLU 47 -5.356 3.446 -29.915 354 HG2 GLU 47 2HG GLU 47 -6.528 2.103 -28.270 355 HG3 GLU 47 1HG GLU 47 -6.365 3.391 -27.078 356 H GLU 48 H GLU 48 -2.855 1.947 -30.272 357 HA GLU 48 HA GLU 48 -0.321 3.132 -30.202 358 HB2 GLU 48 2HB GLU 48 -1.083 0.949 -31.324 359 HB3 GLU 48 1HB GLU 48 -1.536 1.958 -32.689 360 HG2 GLU 48 2HG GLU 48 0.687 2.609 -33.081 361 HG3 GLU 48 1HG GLU 48 1.226 1.983 -31.522 362 H ASP 49 H ASP 49 -3.185 3.906 -32.064 363 HA ASP 49 HA ASP 49 -2.338 6.660 -32.140 364 HB2 ASP 49 2HB ASP 49 -1.396 5.804 -34.250 365 HB3 ASP 49 1HB ASP 49 -2.985 5.212 -34.718 366 H GLY 50 H GLY 50 -4.025 7.501 -31.170 367 HA2 GLY 50 2HA GLY 50 -6.502 7.924 -32.107 368 HA3 GLY 50 1HA GLY 50 -6.652 6.297 -31.465 369 H GLY 51 H GLY 51 -4.565 7.200 -29.345 370 HA2 GLY 51 2HA GLY 51 -4.989 9.157 -27.715 371 HA3 GLY 51 1HA GLY 51 -6.588 8.441 -27.603 372 H ALA 52 H ALA 52 -4.183 8.829 -25.739 373 HA ALA 52 HA ALA 52 -3.830 6.071 -24.824 374 HB1 ALA 52 3HB ALA 52 -2.491 8.621 -23.923 375 HB2 ALA 52 1HB ALA 52 -1.818 7.431 -25.037 376 HB3 ALA 52 2HB ALA 52 -2.105 6.998 -23.352 377 H HIS 53 H HIS 53 -4.671 5.316 -22.932 378 HA HIS 53 HA HIS 53 -6.502 7.174 -21.556 379 HD1 HIS 53 1HD HIS 53 -9.392 6.774 -22.678 380 HD2 HIS 53 2HD HIS 53 -6.827 4.179 -24.677 381 HE1 HIS 53 1HE HIS 53 -10.049 6.893 -25.091 382 HE2 HIS 53 2HE HIS 53 -8.544 5.246 -26.289 383 HB2 HIS 53 2HB HIS 53 -6.809 4.184 -21.896 384 HB3 HIS 53 1HB HIS 53 -7.964 5.269 -21.130 385 H ASN 54 H ASN 54 -5.521 7.732 -19.671 386 HA ASN 54 HA ASN 54 -4.062 5.728 -18.122 387 HB2 ASN 54 2HB ASN 54 -3.172 8.042 -18.323 388 HB3 ASN 54 1HB ASN 54 -4.614 8.645 -17.519 389 HD21 ASN 54 2HD2 ASN 54 -3.580 7.790 -14.294 390 HD22 ASN 54 1HD2 ASN 54 -4.903 8.260 -15.307 391 H GLN 55 H GLN 55 -5.332 4.391 -16.939 392 HA GLN 55 HA GLN 55 -7.818 5.544 -15.873 393 HB2 GLN 55 2HB GLN 55 -8.682 3.234 -15.807 394 HB3 GLN 55 1HB GLN 55 -8.197 3.711 -17.427 395 HG2 GLN 55 2HG GLN 55 -6.064 2.484 -17.084 396 HG3 GLN 55 1HG GLN 55 -6.693 1.914 -15.539 397 HE21 GLN 55 2HE2 GLN 55 -7.277 -0.546 -18.319 398 HE22 GLN 55 1HE2 GLN 55 -5.875 0.340 -17.795 399 H CYS 56 H CYS 56 -7.647 6.092 -13.799 400 HA CYS 56 HA CYS 56 -6.043 4.405 -12.014 401 HG CYS 56 HG CYS 56 -4.843 5.585 -9.639 402 HB2 CYS 56 2HB CYS 56 -5.638 6.853 -11.927 403 HB3 CYS 56 1HB CYS 56 -7.315 7.095 -11.448 404 H LYS 57 H LYS 57 -7.368 2.658 -11.747 405 HA LYS 57 HA LYS 57 -10.170 3.163 -11.063 406 HB2 LYS 57 2HB LYS 57 -8.765 0.684 -12.054 407 HB3 LYS 57 1HB LYS 57 -10.465 0.740 -11.604 408 HG2 LYS 57 2HG LYS 57 -10.870 2.419 -13.336 409 HG3 LYS 57 1HG LYS 57 -9.168 2.346 -13.797 410 HD2 LYS 57 2HD LYS 57 -10.584 1.003 -15.287 411 HD3 LYS 57 1HD LYS 57 -9.417 0.007 -14.416 412 HE2 LYS 57 2HE LYS 57 -11.106 -0.731 -12.878 413 HE3 LYS 57 1HE LYS 57 -12.280 0.398 -13.561 414 HZ1 LYS 57 3HZ LYS 57 -12.587 -1.891 -14.356 415 HZ2 LYS 57 1HZ LYS 57 -11.037 -1.858 -15.051 416 HZ3 LYS 57 2HZ LYS 57 -12.247 -0.815 -15.623 417 H LEU 58 H LEU 58 -7.795 3.294 -9.207 418 HA LEU 58 HA LEU 58 -8.182 1.136 -7.369 419 HG LEU 58 HG LEU 58 -7.251 2.245 -4.813 420 HB2 LEU 58 2HB LEU 58 -6.113 2.638 -7.586 421 HB3 LEU 58 1HB LEU 58 -7.031 3.832 -6.685 422 HD11 LEU 58 1HD1 LEU 58 -5.979 0.177 -4.816 423 HD12 LEU 58 2HD1 LEU 58 -5.431 0.499 -6.463 424 HD13 LEU 58 3HD1 LEU 58 -7.139 0.192 -6.147 425 HD21 LEU 58 3HD2 LEU 58 -5.403 3.835 -4.823 426 HD22 LEU 58 1HD2 LEU 58 -4.411 2.692 -5.728 427 HD23 LEU 58 2HD2 LEU 58 -4.919 2.311 -4.082 428 H CYS 59 H CYS 59 -9.127 4.554 -7.438 429 HA CYS 59 HA CYS 59 -11.372 3.859 -5.677 430 HG CYS 59 HG CYS 59 -9.401 8.099 -5.518 431 HB2 CYS 59 2HB CYS 59 -11.429 6.348 -5.176 432 HB3 CYS 59 1HB CYS 59 -10.047 5.465 -4.538 433 H GLY 60 H GLY 60 -10.460 6.074 -8.326 434 HA2 GLY 60 2HA GLY 60 -12.179 5.395 -10.255 435 HA3 GLY 60 1HA GLY 60 -13.236 6.273 -9.161 436 H ALA 61 H ALA 61 -10.106 6.612 -10.826 437 HA ALA 61 HA ALA 61 -10.759 9.462 -11.224 438 HB1 ALA 61 3HB ALA 61 -8.834 9.154 -9.733 439 HB2 ALA 61 1HB ALA 61 -8.378 9.950 -11.239 440 HB3 ALA 61 2HB ALA 61 -8.010 8.241 -10.997 441 H SER 62 H SER 62 -9.856 10.404 -13.210 442 HA SER 62 HA SER 62 -10.279 8.522 -15.408 443 HG SER 62 HG SER 62 -12.620 9.878 -15.540 444 HB2 SER 62 2HB SER 62 -10.354 11.549 -15.435 445 HB3 SER 62 1HB SER 62 -10.892 10.470 -16.722 446 H VAL 63 H VAL 63 -9.209 9.767 -17.517 447 HA VAL 63 HA VAL 63 -6.340 9.628 -17.034 448 HB VAL 63 HB VAL 63 -6.942 8.254 -18.843 449 HG11 VAL 63 1HG1 VAL 63 -8.311 8.981 -20.735 450 HG12 VAL 63 2HG1 VAL 63 -8.557 10.541 -19.951 451 HG13 VAL 63 3HG1 VAL 63 -9.191 9.071 -19.210 452 HG21 VAL 63 3HG2 VAL 63 -4.982 9.600 -19.354 453 HG22 VAL 63 1HG2 VAL 63 -6.006 10.863 -20.039 454 HG23 VAL 63 2HG2 VAL 63 -5.910 9.285 -20.822 455 HA PRO 64 HA PRO 64 -6.193 14.085 -17.439 456 HB2 PRO 64 1HB PRO 64 -5.227 13.932 -15.341 457 HB3 PRO 64 2HB PRO 64 -3.817 14.422 -16.288 458 HG2 PRO 64 2HG PRO 64 -2.941 12.289 -16.326 459 HG3 PRO 64 1HG PRO 64 -3.812 12.191 -14.786 460 HD2 PRO 64 2HD PRO 64 -4.247 10.565 -17.018 461 HD3 PRO 64 1HD PRO 64 -5.353 10.757 -15.644 462 H TRP 65 H TRP 65 -4.730 11.802 -19.295 463 HA TRP 65 HA TRP 65 -2.587 13.352 -20.428 464 HD1 TRP 65 HD TRP 65 -2.852 10.534 -23.962 465 HE1 TRP 65 1HE TRP 65 -0.552 10.960 -25.043 466 HE3 TRP 65 3HE TRP 65 -0.499 12.723 -19.983 467 HZ2 TRP 65 2HZ TRP 65 1.934 12.076 -24.290 468 HZ3 TRP 65 3HZ TRP 65 1.838 13.439 -20.247 469 HH2 TRP 65 HH TRP 65 3.030 13.120 -22.357 470 HB2 TRP 65 2HB TRP 65 -2.775 10.797 -20.391 471 HB3 TRP 65 1HB TRP 65 -3.937 10.962 -21.702 472 H LEU 66 H LEU 66 -3.331 12.679 -23.256 473 HA LEU 66 HA LEU 66 -4.653 15.142 -23.842 474 HG LEU 66 HG LEU 66 -1.869 13.836 -24.626 475 HB2 LEU 66 2HB LEU 66 -3.863 12.889 -25.688 476 HB3 LEU 66 1HB LEU 66 -4.371 14.491 -26.192 477 HD11 LEU 66 1HD1 LEU 66 -1.724 13.163 -26.958 478 HD12 LEU 66 2HD1 LEU 66 -0.704 14.568 -26.647 479 HD13 LEU 66 3HD1 LEU 66 -2.253 14.767 -27.467 480 HD21 LEU 66 3HD2 LEU 66 -2.923 16.472 -25.648 481 HD22 LEU 66 1HD2 LEU 66 -1.315 16.212 -24.965 482 HD23 LEU 66 2HD2 LEU 66 -2.747 15.991 -23.960 483 H GLN 67 H GLN 67 -6.509 14.356 -22.491 484 HA GLN 67 HA GLN 67 -8.740 13.774 -24.181 485 HB2 GLN 67 2HB GLN 67 -7.829 11.474 -23.711 486 HB3 GLN 67 1HB GLN 67 -8.051 11.785 -21.997 487 HG2 GLN 67 2HG GLN 67 -9.872 10.460 -22.739 488 HG3 GLN 67 1HG GLN 67 -10.483 12.085 -22.435 489 HE21 GLN 67 2HE2 GLN 67 -12.104 11.769 -25.493 490 HE22 GLN 67 1HE2 GLN 67 -12.240 11.851 -23.773 491 H THR 68 H THR 68 -10.714 14.334 -23.041 492 HA THR 68 HA THR 68 -10.253 16.184 -20.912 493 HB THR 68 HB THR 68 -12.901 15.200 -21.949 494 HG1 THR 68 1HG THR 68 -11.489 16.131 -23.589 495 HG21 THR 68 3HG2 THR 68 -13.730 17.367 -21.124 496 HG22 THR 68 1HG2 THR 68 -12.124 17.727 -20.488 497 HG23 THR 68 2HG2 THR 68 -13.058 16.389 -19.819 498 H GLY 69 H GLY 69 -9.319 14.731 -19.400 499 HA2 GLY 69 2HA GLY 69 -11.364 13.678 -17.588 500 HA3 GLY 69 1HA GLY 69 -10.051 12.608 -18.064 501 H ASP 70 H ASP 70 -9.152 15.865 -17.906 502 HA ASP 70 HA ASP 70 -7.334 15.474 -15.758 503 HB2 ASP 70 2HB ASP 70 -6.898 17.077 -17.563 504 HB3 ASP 70 1HB ASP 70 -8.305 18.019 -17.089 505 H GLU 71 H GLU 71 -10.552 16.719 -16.049 506 HA GLU 71 HA GLU 71 -10.661 17.766 -13.366 507 HB2 GLU 71 2HB GLU 71 -13.102 18.098 -13.954 508 HB3 GLU 71 1HB GLU 71 -11.944 18.954 -14.962 509 HG2 GLU 71 2HG GLU 71 -12.155 17.119 -16.640 510 HG3 GLU 71 1HG GLU 71 -13.448 16.441 -15.653 511 H ILE 72 H ILE 72 -10.261 16.034 -12.023 512 HA ILE 72 HA ILE 72 -12.531 14.363 -11.458 513 HB ILE 72 HB ILE 72 -11.350 13.082 -13.244 514 HG12 ILE 72 2HG1 ILE 72 -11.237 10.930 -11.985 515 HG13 ILE 72 1HG1 ILE 72 -11.372 11.842 -10.486 516 HG21 ILE 72 1HG2 ILE 72 -9.208 11.995 -12.706 517 HG22 ILE 72 2HG2 ILE 72 -9.110 12.961 -11.234 518 HG23 ILE 72 3HG2 ILE 72 -9.075 13.749 -12.810 519 HD11 ILE 72 3HD1 ILE 72 -13.567 12.649 -11.178 520 HD12 ILE 72 1HD1 ILE 72 -13.503 10.887 -11.142 521 HD13 ILE 72 2HD1 ILE 72 -13.425 11.742 -12.682 522 H LYS 73 H LYS 73 -12.332 13.306 -9.384 523 HA LYS 73 HA LYS 73 -10.261 14.557 -7.712 524 HB2 LYS 73 2HB LYS 73 -12.961 14.791 -7.452 525 HB3 LYS 73 1HB LYS 73 -12.652 13.413 -6.403 526 HG2 LYS 73 2HG LYS 73 -12.638 15.551 -5.195 527 HG3 LYS 73 1HG LYS 73 -11.087 14.711 -5.097 528 HD2 LYS 73 2HD LYS 73 -10.186 16.129 -6.857 529 HD3 LYS 73 1HD LYS 73 -11.739 16.946 -7.017 530 HE2 LYS 73 2HE LYS 73 -10.058 16.917 -4.519 531 HE3 LYS 73 1HE LYS 73 -10.082 18.225 -5.700 532 HZ1 LYS 73 3HZ LYS 73 -12.546 18.348 -5.260 533 HZ2 LYS 73 1HZ LYS 73 -11.538 18.853 -3.991 534 HZ3 LYS 73 2HZ LYS 73 -12.282 17.334 -3.926 535 H HIS 74 H HIS 74 -9.583 13.244 -5.787 536 HA HIS 74 HA HIS 74 -9.172 10.476 -6.673 537 HD1 HIS 74 1HD HIS 74 -5.994 13.554 -5.321 538 HD2 HIS 74 2HD HIS 74 -6.946 10.621 -8.119 539 HE1 HIS 74 1HE HIS 74 -4.542 14.025 -7.324 540 HE2 HIS 74 2HE HIS 74 -5.248 12.342 -9.065 541 HB2 HIS 74 2HB HIS 74 -7.767 12.058 -4.509 542 HB3 HIS 74 1HB HIS 74 -7.361 10.418 -4.992 543 H ALA 75 H ALA 75 -11.337 12.026 -4.877 544 HA ALA 75 HA ALA 75 -12.886 11.454 -3.340 545 HB1 ALA 75 3HB ALA 75 -11.458 8.806 -3.095 546 HB2 ALA 75 1HB ALA 75 -12.824 9.148 -4.155 547 HB3 ALA 75 2HB ALA 75 -13.031 9.209 -2.405 548 H ASP 76 H ASP 76 -13.039 12.069 -1.259 549 HA ASP 76 HA ASP 76 -10.607 12.996 -0.064 550 HB2 ASP 76 2HB ASP 76 -13.441 13.123 0.990 551 HB3 ASP 76 1HB ASP 76 -12.078 14.080 1.541 552 H ASP 77 H ASP 77 -12.599 10.237 0.274 553 HA ASP 77 HA ASP 77 -11.403 9.615 2.893 554 HB2 ASP 77 2HB ASP 77 -13.984 9.688 2.474 555 HB3 ASP 77 1HB ASP 77 -13.732 8.111 1.738 556 H CYS 78 H CYS 78 -10.496 9.230 -0.052 557 HA CYS 78 HA CYS 78 -10.339 6.432 -0.504 558 HG CYS 78 HG CYS 78 -8.710 10.294 -1.676 559 HB2 CYS 78 2HB CYS 78 -8.675 6.988 -2.190 560 HB3 CYS 78 1HB CYS 78 -10.017 8.126 -2.270 561 HA PRO 79 HA PRO 79 -6.990 5.205 2.113 562 HB2 PRO 79 1HB PRO 79 -6.690 3.034 1.535 563 HB3 PRO 79 2HB PRO 79 -5.893 3.476 0.026 564 HG2 PRO 79 2HG PRO 79 -7.842 2.639 -0.876 565 HG3 PRO 79 1HG PRO 79 -8.784 3.011 0.579 566 HD2 PRO 79 2HD PRO 79 -7.944 4.825 -1.653 567 HD3 PRO 79 1HD PRO 79 -9.509 4.721 -0.814 568 H VAL 80 H VAL 80 -6.211 6.397 -1.094 569 HA VAL 80 HA VAL 80 -3.406 6.133 -0.860 570 HB VAL 80 HB VAL 80 -3.226 7.510 -2.849 571 HG11 VAL 80 1HG1 VAL 80 -3.766 5.163 -3.120 572 HG12 VAL 80 2HG1 VAL 80 -4.549 6.127 -4.371 573 HG13 VAL 80 3HG1 VAL 80 -5.487 5.528 -3.003 574 HG21 VAL 80 3HG2 VAL 80 -6.181 7.981 -2.522 575 HG22 VAL 80 1HG2 VAL 80 -5.237 8.404 -3.948 576 HG23 VAL 80 2HG2 VAL 80 -4.901 9.189 -2.405 577 H VAL 81 H VAL 81 -5.610 8.712 0.083 578 HA VAL 81 HA VAL 81 -3.659 10.737 0.326 579 HB VAL 81 HB VAL 81 -5.253 11.820 1.931 580 HG11 VAL 81 1HG1 VAL 81 -5.338 12.256 -0.467 581 HG12 VAL 81 2HG1 VAL 81 -6.955 12.281 0.235 582 HG13 VAL 81 3HG1 VAL 81 -6.414 10.877 -0.687 583 HG21 VAL 81 3HG2 VAL 81 -6.973 9.424 1.322 584 HG22 VAL 81 1HG2 VAL 81 -7.480 10.867 2.200 585 HG23 VAL 81 2HG2 VAL 81 -6.247 9.805 2.883 586 H ILE 82 H ILE 82 -4.834 8.295 2.580 587 HA ILE 82 HA ILE 82 -3.296 9.150 4.803 588 HB ILE 82 HB ILE 82 -4.377 6.389 4.197 589 HG12 ILE 82 2HG1 ILE 82 -6.163 8.040 4.249 590 HG13 ILE 82 1HG1 ILE 82 -6.235 7.047 5.697 591 HG21 ILE 82 1HG2 ILE 82 -3.450 7.585 6.807 592 HG22 ILE 82 2HG2 ILE 82 -2.622 6.330 5.885 593 HG23 ILE 82 3HG2 ILE 82 -4.196 5.999 6.609 594 HD11 ILE 82 3HD1 ILE 82 -5.136 8.828 6.966 595 HD12 ILE 82 1HD1 ILE 82 -6.648 9.366 6.232 596 HD13 ILE 82 2HD1 ILE 82 -5.107 9.825 5.512 597 H ALA 83 H ALA 83 -2.789 6.715 2.276 598 HA ALA 83 HA ALA 83 -0.333 5.712 3.184 599 HB1 ALA 83 3HB ALA 83 -1.696 4.621 1.457 600 HB2 ALA 83 1HB ALA 83 -0.033 4.867 0.922 601 HB3 ALA 83 2HB ALA 83 -1.312 5.929 0.337 602 H LYS 84 H LYS 84 -1.116 8.457 1.115 603 HA LYS 84 HA LYS 84 1.501 9.098 0.300 604 HB2 LYS 84 2HB LYS 84 -0.790 9.961 -0.556 605 HB3 LYS 84 1HB LYS 84 -0.656 11.147 0.734 606 HG2 LYS 84 2HG LYS 84 1.442 11.957 -0.231 607 HG3 LYS 84 1HG LYS 84 1.296 10.770 -1.529 608 HD2 LYS 84 2HD LYS 84 -0.922 11.806 -2.088 609 HD3 LYS 84 1HD LYS 84 -0.538 13.085 -0.939 610 HE2 LYS 84 2HE LYS 84 1.016 12.368 -3.421 611 HE3 LYS 84 1HE LYS 84 0.007 13.794 -3.192 612 HZ1 LYS 84 3HZ LYS 84 1.563 14.324 -1.272 613 HZ2 LYS 84 1HZ LYS 84 2.175 14.528 -2.841 614 HZ3 LYS 84 2HZ LYS 84 2.608 13.164 -1.938 615 H GLN 85 H GLN 85 -0.408 10.046 3.116 616 HA GLN 85 HA GLN 85 1.426 11.890 4.202 617 HB2 GLN 85 2HB GLN 85 -0.762 10.208 5.414 618 HB3 GLN 85 1HB GLN 85 0.173 11.361 6.345 619 HG2 GLN 85 2HG GLN 85 -0.624 13.184 4.980 620 HG3 GLN 85 1HG GLN 85 -1.461 12.049 3.920 621 HE21 GLN 85 2HE2 GLN 85 -4.292 12.859 5.769 622 HE22 GLN 85 1HE2 GLN 85 -3.420 13.068 4.291 623 H ILE 86 H ILE 86 1.047 8.406 4.521 624 HA ILE 86 HA ILE 86 2.934 8.100 6.624 625 HB ILE 86 HB ILE 86 1.936 6.060 4.628 626 HG12 ILE 86 2HG1 ILE 86 1.064 6.649 7.466 627 HG13 ILE 86 1HG1 ILE 86 0.165 7.086 6.016 628 HG21 ILE 86 1HG2 ILE 86 3.394 5.663 7.240 629 HG22 ILE 86 2HG2 ILE 86 4.030 5.335 5.628 630 HG23 ILE 86 3HG2 ILE 86 2.688 4.380 6.257 631 HD11 ILE 86 3HD1 ILE 86 0.799 4.287 6.924 632 HD12 ILE 86 1HD1 ILE 86 -0.110 4.723 5.478 633 HD13 ILE 86 2HD1 ILE 86 -0.757 5.104 7.073 634 H LEU 87 H LEU 87 3.179 7.893 3.088 635 HA LEU 87 HA LEU 87 5.817 6.803 3.173 636 HG LEU 87 HG LEU 87 3.215 8.525 1.172 637 HB2 LEU 87 2HB LEU 87 5.831 7.123 0.729 638 HB3 LEU 87 1HB LEU 87 4.440 6.233 1.309 639 HD11 LEU 87 1HD1 LEU 87 5.180 9.909 0.764 640 HD12 LEU 87 2HD1 LEU 87 4.058 9.992 -0.593 641 HD13 LEU 87 3HD1 LEU 87 5.518 9.012 -0.717 642 HD21 LEU 87 3HD2 LEU 87 2.705 6.594 -0.207 643 HD22 LEU 87 1HD2 LEU 87 4.033 6.999 -1.296 644 HD23 LEU 87 2HD2 LEU 87 2.642 8.076 -1.162 645 H SER 88 H SER 88 4.620 10.019 3.374 646 HA SER 88 HA SER 88 7.062 11.243 2.477 647 HG SER 88 HG SER 88 4.381 12.156 4.861 648 HB2 SER 88 2HB SER 88 5.963 13.273 3.720 649 HB3 SER 88 1HB SER 88 5.262 12.690 2.213 650 H SER 89 H SER 89 5.683 10.200 5.513 651 HA SER 89 HA SER 89 6.596 9.748 7.528 652 HG SER 89 HG SER 89 7.441 7.835 6.570 653 HB2 SER 89 2HB SER 89 9.203 9.989 6.014 654 HB3 SER 89 1HB SER 89 9.022 9.296 7.626 655 H ARG 90 H ARG 90 8.612 10.594 9.024 656 HA ARG 90 HA ARG 90 9.438 12.264 10.305 657 HE ARG 90 HE ARG 90 11.145 15.726 9.137 658 HB2 ARG 90 2HB ARG 90 8.903 13.874 7.823 659 HB3 ARG 90 1HB ARG 90 9.517 14.612 9.291 660 HG2 ARG 90 2HG ARG 90 11.469 13.140 9.215 661 HG3 ARG 90 1HG ARG 90 10.857 12.420 7.724 662 HD2 ARG 90 2HD ARG 90 12.588 14.197 7.397 663 HD3 ARG 90 1HD ARG 90 11.067 14.486 6.552 664 HH11 ARG 90 1HH1 ARG 90 12.127 16.082 5.801 665 HH12 ARG 90 2HH1 ARG 90 12.190 17.819 5.873 666 HH21 ARG 90 2HH2 ARG 90 11.664 18.917 7.835 667 HH22 ARG 90 1HH2 ARG 90 11.192 18.006 9.238 668 HA PRO 91 HA PRO 91 5.918 14.254 12.266 669 HB2 PRO 91 1HB PRO 91 7.119 14.361 14.223 670 HB3 PRO 91 2HB PRO 91 7.296 16.063 13.778 671 HG2 PRO 91 2HG PRO 91 9.423 15.758 12.933 672 HG3 PRO 91 1HG PRO 91 9.427 14.504 14.189 673 HD2 PRO 91 2HD PRO 91 9.943 13.973 11.579 674 HD3 PRO 91 1HD PRO 91 9.173 12.798 12.665 675 H LYS 92 H LYS 92 5.202 16.597 12.608 676 HA LYS 92 HA LYS 92 4.532 18.560 11.688 677 HB2 LYS 92 2HB LYS 92 7.141 18.382 10.177 678 HB3 LYS 92 1HB LYS 92 6.031 19.734 10.040 679 HG2 LYS 92 2HG LYS 92 6.345 20.301 12.353 680 HG3 LYS 92 1HG LYS 92 7.324 18.854 12.612 681 HD2 LYS 92 2HD LYS 92 8.712 20.866 12.365 682 HD3 LYS 92 1HD LYS 92 9.016 19.697 11.082 683 HE2 LYS 92 2HE LYS 92 8.922 21.819 10.039 684 HE3 LYS 92 1HE LYS 92 7.400 21.015 9.660 685 HZ1 LYS 92 3HZ LYS 92 7.857 23.147 11.672 686 HZ2 LYS 92 1HZ LYS 92 6.405 22.271 11.553 687 HZ3 LYS 92 2HZ LYS 92 6.922 23.246 10.264 688 H LEU 93 H LEU 93 3.485 19.378 9.804 689 HA LEU 93 HA LEU 93 2.335 19.294 7.866 690 HG LEU 93 HG LEU 93 5.435 19.317 7.459 691 HB2 LEU 93 2HB LEU 93 4.303 17.150 7.083 692 HB3 LEU 93 1HB LEU 93 3.177 17.944 6.006 693 HD11 LEU 93 1HD1 LEU 93 6.256 17.804 5.741 694 HD12 LEU 93 2HD1 LEU 93 6.464 19.485 5.244 695 HD13 LEU 93 3HD1 LEU 93 5.153 18.519 4.567 696 HD21 LEU 93 3HD2 LEU 93 3.533 20.788 7.052 697 HD22 LEU 93 1HD2 LEU 93 3.530 20.325 5.352 698 HD23 LEU 93 2HD2 LEU 93 4.899 21.218 6.020 699 H HIS 94 H HIS 94 0.685 18.126 6.798 700 HA HIS 94 HA HIS 94 0.147 15.379 7.390 701 HD1 HIS 94 1HD HIS 94 -3.772 16.277 7.581 702 HD2 HIS 94 2HD HIS 94 -1.450 13.835 10.021 703 HE1 HIS 94 1HE HIS 94 -5.206 14.285 8.107 704 HE2 HIS 94 2HE HIS 94 -3.688 12.713 9.353 705 HB2 HIS 94 2HB HIS 94 -0.552 16.410 9.537 706 HB3 HIS 94 1HB HIS 94 -1.669 17.447 8.657 707 H ALA 95 H ALA 95 -1.081 18.506 6.338 708 HA ALA 95 HA ALA 95 -2.415 19.163 4.630 709 HB1 ALA 95 3HB ALA 95 -0.864 17.870 3.225 710 HB2 ALA 95 1HB ALA 95 -2.516 17.822 2.601 711 HB3 ALA 95 2HB ALA 95 -1.856 16.433 3.464 712 H VAL 96 H VAL 96 -4.377 17.920 3.158 713 HA VAL 96 HA VAL 96 -6.163 16.911 5.272 714 HB VAL 96 HB VAL 96 -6.985 18.249 2.686 715 HG11 VAL 96 1HG1 VAL 96 -8.690 16.768 3.580 716 HG12 VAL 96 2HG1 VAL 96 -9.182 18.446 3.809 717 HG13 VAL 96 3HG1 VAL 96 -8.546 17.520 5.168 718 HG21 VAL 96 3HG2 VAL 96 -6.829 19.425 5.461 719 HG22 VAL 96 1HG2 VAL 96 -7.505 20.221 4.040 720 HG23 VAL 96 2HG2 VAL 96 -5.784 19.836 4.101 721 HA MET 1 HA MET 1 -7.313 -15.542 -3.048 722 H1 MET 1 1H MET 1 -6.219 -14.372 -4.844 723 H2 MET 1 2H MET 1 -5.405 -13.381 -3.738 724 H3 MET 1 3H MET 1 -7.096 -13.316 -3.861 725 HB2 MET 1 2HB MET 1 -4.297 -15.433 -2.752 726 HB3 MET 1 1HB MET 1 -5.337 -16.747 -2.213 727 HG2 MET 1 2HG MET 1 -5.975 -17.207 -4.511 728 HG3 MET 1 1HG MET 1 -4.984 -15.862 -5.070 729 HE1 MET 1 3HE MET 1 -3.375 -19.799 -3.289 730 HE2 MET 1 1HE MET 1 -5.069 -19.488 -3.665 731 HE3 MET 1 2HE MET 1 -4.290 -18.634 -2.333 732 H GLY 2 H GLY 2 -8.106 -15.435 -1.050 733 HA2 GLY 2 2HA GLY 2 -8.356 -14.839 1.159 734 HA3 GLY 2 1HA GLY 2 -6.686 -14.295 1.149 735 H SER 3 H SER 3 -9.608 -13.230 -0.602 736 HA SER 3 HA SER 3 -8.917 -10.473 0.095 737 HG SER 3 HG SER 3 -10.080 -9.072 -2.410 738 HB2 SER 3 2HB SER 3 -9.352 -11.027 -2.285 739 HB3 SER 3 1HB SER 3 -10.990 -11.514 -1.853 740 H SER 4 H SER 4 -9.964 -9.405 1.639 741 HA SER 4 HA SER 4 -12.769 -9.944 2.160 742 HG SER 4 HG SER 4 -11.874 -11.965 2.754 743 HB2 SER 4 2HB SER 4 -10.671 -10.121 4.344 744 HB3 SER 4 1HB SER 4 -12.418 -10.160 4.599 745 H HIS 5 H HIS 5 -13.371 -7.959 1.529 746 HA HIS 5 HA HIS 5 -11.817 -5.615 2.206 747 HD1 HIS 5 1HD HIS 5 -15.126 -3.358 1.485 748 HD2 HIS 5 2HD HIS 5 -11.505 -3.685 -0.538 749 HE1 HIS 5 1HE HIS 5 -14.530 -1.023 0.770 750 HE2 HIS 5 2HE HIS 5 -12.495 -1.303 -0.691 751 HB2 HIS 5 2HB HIS 5 -12.917 -6.006 -0.021 752 HB3 HIS 5 1HB HIS 5 -14.473 -5.797 0.769 753 H HIS 6 H HIS 6 -14.549 -7.253 3.514 754 HA HIS 6 HA HIS 6 -15.827 -4.871 4.473 755 HD1 HIS 6 1HD HIS 6 -16.052 -8.852 3.059 756 HD2 HIS 6 2HD HIS 6 -16.921 -8.613 7.121 757 HE1 HIS 6 1HE HIS 6 -15.804 -11.193 3.949 758 HE2 HIS 6 2HE HIS 6 -16.570 -11.055 6.346 759 HB2 HIS 6 2HB HIS 6 -17.456 -6.404 5.559 760 HB3 HIS 6 1HB HIS 6 -17.286 -6.644 3.828 761 H HIS 7 H HIS 7 -14.046 -4.030 5.681 762 HA HIS 7 HA HIS 7 -14.646 -4.686 8.470 763 HD1 HIS 7 1HD HIS 7 -11.176 -2.720 9.926 764 HD2 HIS 7 2HD HIS 7 -13.214 -6.322 10.437 765 HE1 HIS 7 1HE HIS 7 -11.040 -3.243 12.377 766 HE2 HIS 7 2HE HIS 7 -12.357 -5.363 12.688 767 HB2 HIS 7 2HB HIS 7 -12.272 -5.492 7.788 768 HB3 HIS 7 1HB HIS 7 -11.863 -3.781 7.726 769 H HIS 8 H HIS 8 -16.186 -3.014 7.985 770 HA HIS 8 HA HIS 8 -15.071 -0.398 7.320 771 HD1 HIS 8 1HD HIS 8 -18.072 -3.419 6.708 772 HD2 HIS 8 2HD HIS 8 -19.592 0.044 8.431 773 HE1 HIS 8 1HE HIS 8 -20.293 -4.069 7.680 774 HE2 HIS 8 2HE HIS 8 -21.165 -1.984 8.791 775 HB2 HIS 8 2HB HIS 8 -17.370 0.292 6.825 776 HB3 HIS 8 1HB HIS 8 -16.924 -1.145 5.923 777 H HIS 9 H HIS 9 -14.586 0.934 8.846 778 HA HIS 9 HA HIS 9 -16.295 1.649 10.977 779 HD1 HIS 9 1HD HIS 9 -13.404 1.325 14.072 780 HD2 HIS 9 2HD HIS 9 -17.426 0.439 13.461 781 HE1 HIS 9 1HE HIS 9 -14.560 1.866 16.245 782 HE2 HIS 9 2HE HIS 9 -16.949 1.122 15.910 783 HB2 HIS 9 2HB HIS 9 -15.352 -0.641 11.710 784 HB3 HIS 9 1HB HIS 9 -13.813 0.191 11.885 785 H HIS 10 H HIS 10 -15.867 3.762 10.610 786 HA HIS 10 HA HIS 10 -13.202 4.653 10.012 787 HD1 HIS 10 1HD HIS 10 -16.677 4.855 8.221 788 HD2 HIS 10 2HD HIS 10 -13.153 6.994 7.667 789 HE1 HIS 10 1HE HIS 10 -16.347 4.989 5.728 790 HE2 HIS 10 2HE HIS 10 -14.275 6.396 5.407 791 HB2 HIS 10 2HB HIS 10 -15.830 6.070 10.339 792 HB3 HIS 10 1HB HIS 10 -14.324 6.973 10.215 793 H SER 11 H SER 11 -12.040 4.038 11.810 794 HA SER 11 HA SER 11 -11.996 6.137 13.820 795 HG SER 11 HG SER 11 -13.948 4.965 14.365 796 HB2 SER 11 2HB SER 11 -11.906 3.194 14.550 797 HB3 SER 11 1HB SER 11 -11.691 4.544 15.666 798 H SER 12 H SER 12 -10.138 6.973 13.075 799 HA SER 12 HA SER 12 -8.046 5.205 12.114 800 HG SER 12 HG SER 12 -6.530 6.301 10.778 801 HB2 SER 12 2HB SER 12 -8.757 7.185 10.780 802 HB3 SER 12 1HB SER 12 -8.166 8.230 12.072 803 H GLY 13 H GLY 13 -6.815 4.387 13.685 804 HA2 GLY 13 2HA GLY 13 -4.801 4.609 14.858 805 HA3 GLY 13 1HA GLY 13 -5.141 6.315 15.084 806 H ARG 14 H ARG 14 -4.168 5.114 17.143 807 HA ARG 14 HA ARG 14 -6.370 5.017 19.059 808 HE ARG 14 HE ARG 14 -7.776 4.032 19.721 809 HB2 ARG 14 2HB ARG 14 -5.779 2.661 18.506 810 HB3 ARG 14 1HB ARG 14 -4.115 2.994 18.961 811 HG2 ARG 14 2HG ARG 14 -4.823 2.040 20.885 812 HG3 ARG 14 1HG ARG 14 -5.278 3.706 21.235 813 HD2 ARG 14 2HD ARG 14 -7.126 1.639 20.056 814 HD3 ARG 14 1HD ARG 14 -7.045 2.040 21.769 815 HH11 ARG 14 1HH1 ARG 14 -8.319 2.395 22.750 816 HH12 ARG 14 2HH1 ARG 14 -9.683 3.373 23.201 817 HH21 ARG 14 2HH2 ARG 14 -10.421 5.027 21.780 818 HH22 ARG 14 1HH2 ARG 14 -9.588 5.332 20.286 819 H GLU 15 H GLU 15 -2.962 4.263 19.298 820 HA GLU 15 HA GLU 15 -2.319 6.970 20.160 821 HB2 GLU 15 2HB GLU 15 -2.653 5.698 22.246 822 HB3 GLU 15 1HB GLU 15 -1.525 4.472 21.688 823 HG2 GLU 15 2HG GLU 15 0.287 6.088 21.733 824 HG3 GLU 15 1HG GLU 15 -0.838 7.351 22.227 825 H ASN 16 H ASN 16 -0.715 7.623 18.864 826 HA ASN 16 HA ASN 16 1.284 5.679 18.022 827 HB2 ASN 16 2HB ASN 16 1.090 6.321 15.659 828 HB3 ASN 16 1HB ASN 16 -0.392 5.587 16.252 829 HD21 ASN 16 2HD2 ASN 16 -0.904 8.755 14.207 830 HD22 ASN 16 1HD2 ASN 16 0.160 7.404 13.990 831 H LEU 17 H LEU 17 3.241 6.450 18.039 832 HA LEU 17 HA LEU 17 3.663 9.371 17.993 833 HG LEU 17 HG LEU 17 3.582 7.614 20.576 834 HB2 LEU 17 2HB LEU 17 5.455 7.160 19.027 835 HB3 LEU 17 1HB LEU 17 5.855 8.866 19.033 836 HD11 LEU 17 1HD1 LEU 17 4.955 8.063 22.550 837 HD12 LEU 17 2HD1 LEU 17 6.269 8.611 21.509 838 HD13 LEU 17 3HD1 LEU 17 5.743 6.929 21.455 839 HD21 LEU 17 3HD2 LEU 17 4.688 10.422 20.581 840 HD22 LEU 17 1HD2 LEU 17 3.466 9.801 21.691 841 HD23 LEU 17 2HD2 LEU 17 3.113 9.917 19.967 842 H TYR 18 H TYR 18 3.145 7.794 15.704 843 HA TYR 18 HA TYR 18 3.871 6.965 13.743 844 HD1 TYR 18 1HD TYR 18 3.504 7.799 11.575 845 HD2 TYR 18 2HD TYR 18 7.590 8.776 12.257 846 HE1 TYR 18 1HE TYR 18 4.012 7.286 9.225 847 HE2 TYR 18 2HE TYR 18 8.107 8.266 9.907 848 HH TYR 18 HH TYR 18 5.621 7.711 7.556 849 HB2 TYR 18 2HB TYR 18 4.423 9.385 13.549 850 HB3 TYR 18 1HB TYR 18 6.067 8.989 14.014 851 H PHE 19 H PHE 19 4.315 5.063 14.705 852 HA PHE 19 HA PHE 19 5.473 3.163 15.066 853 HD1 PHE 19 1HD PHE 19 6.549 1.329 13.064 854 HD2 PHE 19 2HD PHE 19 6.400 5.425 11.927 855 HE1 PHE 19 1HE PHE 19 5.468 0.699 10.948 856 HE2 PHE 19 2HE PHE 19 5.325 4.798 9.806 857 HZ PHE 19 HZ PHE 19 4.857 2.436 9.322 858 HB2 PHE 19 2HB PHE 19 7.736 4.709 13.801 859 HB3 PHE 19 1HB PHE 19 7.837 3.006 14.249 860 H GLN 20 H GLN 20 7.840 2.500 16.145 861 HA GLN 20 HA GLN 20 8.630 2.081 18.196 862 HB2 GLN 20 2HB GLN 20 8.192 5.037 18.646 863 HB3 GLN 20 1HB GLN 20 9.108 3.962 19.685 864 HG2 GLN 20 2HG GLN 20 10.678 3.526 17.878 865 HG3 GLN 20 1HG GLN 20 9.764 4.606 16.829 866 HE21 GLN 20 2HE2 GLN 20 12.087 7.025 17.736 867 HE22 GLN 20 1HE2 GLN 20 11.471 5.973 16.506 868 H GLY 21 H GLY 21 6.109 4.533 18.775 869 HA2 GLY 21 2HA GLY 21 4.718 2.591 20.496 870 HA3 GLY 21 1HA GLY 21 4.425 4.328 20.470 871 H MET 22 H MET 22 3.858 1.293 18.839 872 HA MET 22 HA MET 22 1.682 2.549 17.310 873 HB2 MET 22 2HB MET 22 3.985 1.918 16.073 874 HB3 MET 22 1HB MET 22 3.206 0.347 16.003 875 HG2 MET 22 2HG MET 22 2.694 1.432 13.982 876 HG3 MET 22 1HG MET 22 1.228 1.503 14.961 877 HE1 MET 22 3HE MET 22 0.345 3.399 13.248 878 HE2 MET 22 1HE MET 22 1.870 3.339 12.362 879 HE3 MET 22 2HE MET 22 1.233 4.886 12.920 880 H THR 23 H THR 23 -0.191 1.437 17.517 881 HA THR 23 HA THR 23 -0.012 -1.240 18.724 882 HB THR 23 HB THR 23 -0.543 0.441 20.430 883 HG1 THR 23 1HG THR 23 -1.601 -1.225 21.186 884 HG21 THR 23 3HG2 THR 23 -2.980 1.006 18.743 885 HG22 THR 23 1HG2 THR 23 -1.637 2.108 19.041 886 HG23 THR 23 2HG2 THR 23 -2.697 1.632 20.368 887 H ASP 24 H ASP 24 -2.643 -1.832 18.941 888 HA ASP 24 HA ASP 24 -3.151 -3.194 16.628 889 HB2 ASP 24 2HB ASP 24 -4.244 -3.961 18.532 890 HB3 ASP 24 1HB ASP 24 -4.881 -2.371 18.930 891 H THR 25 H THR 25 -4.781 -0.160 17.578 892 HA THR 25 HA THR 25 -6.609 -0.326 15.421 893 HB THR 25 HB THR 25 -6.078 2.221 16.905 894 HG1 THR 25 1HG THR 25 -7.118 -0.236 17.882 895 HG21 THR 25 3HG2 THR 25 -8.516 2.410 16.787 896 HG22 THR 25 1HG2 THR 25 -8.610 0.835 16.004 897 HG23 THR 25 2HG2 THR 25 -7.833 2.184 15.176 898 H ALA 26 H ALA 26 -3.397 0.496 15.320 899 HA ALA 26 HA ALA 26 -3.599 2.501 13.246 900 HB1 ALA 26 3HB ALA 26 -1.186 2.249 13.037 901 HB2 ALA 26 1HB ALA 26 -1.225 0.839 14.096 902 HB3 ALA 26 2HB ALA 26 -1.645 2.432 14.729 903 H ALA 27 H ALA 27 -3.615 -0.920 13.506 904 HA ALA 27 HA ALA 27 -2.880 -1.567 10.852 905 HB1 ALA 27 3HB ALA 27 -4.632 -3.096 12.768 906 HB2 ALA 27 1HB ALA 27 -2.877 -3.216 12.647 907 HB3 ALA 27 2HB ALA 27 -3.891 -3.740 11.302 908 H GLU 28 H GLU 28 -5.783 -0.373 12.301 909 HA GLU 28 HA GLU 28 -7.757 -1.230 10.573 910 HB2 GLU 28 2HB GLU 28 -8.075 0.117 12.656 911 HB3 GLU 28 1HB GLU 28 -7.536 1.534 11.766 912 HG2 GLU 28 2HG GLU 28 -9.928 1.526 11.870 913 HG3 GLU 28 1HG GLU 28 -9.418 1.239 10.208 914 H ASP 29 H ASP 29 -5.808 1.752 10.284 915 HA ASP 29 HA ASP 29 -6.816 2.342 7.671 916 HB2 ASP 29 2HB ASP 29 -4.439 3.453 9.178 917 HB3 ASP 29 1HB ASP 29 -4.987 4.057 7.620 918 H VAL 30 H VAL 30 -3.815 0.948 8.933 919 HA VAL 30 HA VAL 30 -2.395 0.873 6.517 920 HB VAL 30 HB VAL 30 -2.149 -0.963 8.906 921 HG11 VAL 30 1HG1 VAL 30 0.105 -1.460 8.073 922 HG12 VAL 30 2HG1 VAL 30 -0.233 -0.528 6.613 923 HG13 VAL 30 3HG1 VAL 30 -1.141 -2.002 6.951 924 HG21 VAL 30 3HG2 VAL 30 -0.619 1.515 8.112 925 HG22 VAL 30 1HG2 VAL 30 -0.267 0.492 9.506 926 HG23 VAL 30 2HG2 VAL 30 -1.784 1.385 9.430 927 H ARG 31 H ARG 31 -4.567 -1.578 7.916 928 HA ARG 31 HA ARG 31 -4.009 -3.527 5.919 929 HE ARG 31 HE ARG 31 -5.768 -6.797 8.095 930 HB2 ARG 31 2HB ARG 31 -6.377 -3.249 7.782 931 HB3 ARG 31 1HB ARG 31 -6.088 -4.643 6.753 932 HG2 ARG 31 2HG ARG 31 -4.062 -5.164 7.923 933 HG3 ARG 31 1HG ARG 31 -4.176 -3.675 8.861 934 HD2 ARG 31 2HD ARG 31 -4.922 -5.411 10.282 935 HD3 ARG 31 1HD ARG 31 -6.365 -4.548 9.761 936 HH11 ARG 31 1HH1 ARG 31 -7.286 -5.842 11.114 937 HH12 ARG 31 2HH1 ARG 31 -8.295 -7.251 11.193 938 HH21 ARG 31 2HH2 ARG 31 -8.194 -8.838 9.539 939 HH22 ARG 31 1HH2 ARG 31 -7.103 -8.643 8.199 940 H LYS 32 H LYS 32 -6.204 -0.834 6.101 941 HA LYS 32 HA LYS 32 -7.991 -1.622 4.061 942 HB2 LYS 32 2HB LYS 32 -7.316 0.984 5.363 943 HB3 LYS 32 1HB LYS 32 -8.329 0.972 3.925 944 HG2 LYS 32 2HG LYS 32 -9.975 -0.366 5.002 945 HG3 LYS 32 1HG LYS 32 -8.920 -0.650 6.387 946 HD2 LYS 32 2HD LYS 32 -9.065 1.635 7.059 947 HD3 LYS 32 1HD LYS 32 -9.893 2.083 5.564 948 HE2 LYS 32 2HE LYS 32 -11.366 1.851 7.592 949 HE3 LYS 32 1HE LYS 32 -11.851 0.896 6.192 950 HZ1 LYS 32 3HZ LYS 32 -10.494 -0.054 8.657 951 HZ2 LYS 32 1HZ LYS 32 -10.616 -0.988 7.252 952 HZ3 LYS 32 2HZ LYS 32 -12.014 -0.507 8.063 953 H ILE 33 H ILE 33 -5.058 0.400 3.958 954 HA ILE 33 HA ILE 33 -5.334 1.078 1.223 955 HB ILE 33 HB ILE 33 -2.998 1.797 1.292 956 HG12 ILE 33 2HG1 ILE 33 -2.968 0.676 4.105 957 HG13 ILE 33 1HG1 ILE 33 -2.120 -0.022 2.730 958 HG21 ILE 33 1HG2 ILE 33 -4.738 3.283 2.121 959 HG22 ILE 33 2HG2 ILE 33 -3.246 3.497 3.037 960 HG23 ILE 33 3HG2 ILE 33 -4.582 2.580 3.732 961 HD11 ILE 33 3HD1 ILE 33 -1.611 2.679 3.955 962 HD12 ILE 33 1HD1 ILE 33 -0.784 2.029 2.540 963 HD13 ILE 33 2HD1 ILE 33 -0.594 1.245 4.108 964 H ALA 34 H ALA 34 -3.849 -1.611 2.869 965 HA ALA 34 HA ALA 34 -2.472 -2.636 0.588 966 HB1 ALA 34 3HB ALA 34 -3.253 -4.070 3.124 967 HB2 ALA 34 1HB ALA 34 -1.775 -3.132 2.895 968 HB3 ALA 34 2HB ALA 34 -2.047 -4.593 1.948 969 H THR 35 H THR 35 -5.662 -3.096 1.966 970 HA THR 35 HA THR 35 -6.301 -5.412 0.416 971 HB THR 35 HB THR 35 -8.188 -3.481 1.784 972 HG1 THR 35 1HG THR 35 -6.740 -4.376 3.288 973 HG21 THR 35 3HG2 THR 35 -9.283 -4.971 0.156 974 HG22 THR 35 1HG2 THR 35 -9.746 -5.356 1.813 975 HG23 THR 35 2HG2 THR 35 -8.571 -6.365 0.970 976 H ALA 36 H ALA 36 -6.540 -1.966 -0.050 977 HA ALA 36 HA ALA 36 -8.482 -1.893 -2.068 978 HB1 ALA 36 3HB ALA 36 -6.161 -0.014 -1.663 979 HB2 ALA 36 1HB ALA 36 -7.725 0.089 -0.853 980 HB3 ALA 36 2HB ALA 36 -7.619 0.317 -2.598 981 H LEU 37 H LEU 37 -4.944 -2.132 -2.312 982 HA LEU 37 HA LEU 37 -4.892 -1.996 -5.137 983 HG LEU 37 HG LEU 37 -3.292 -3.395 -2.129 984 HB2 LEU 37 2HB LEU 37 -2.553 -2.693 -4.929 985 HB3 LEU 37 1HB LEU 37 -2.954 -1.389 -3.836 986 HD11 LEU 37 1HD1 LEU 37 -1.278 -4.493 -4.087 987 HD12 LEU 37 2HD1 LEU 37 -2.865 -5.174 -3.732 988 HD13 LEU 37 3HD1 LEU 37 -1.617 -5.148 -2.485 989 HD21 LEU 37 3HD2 LEU 37 -1.769 -1.544 -1.805 990 HD22 LEU 37 1HD2 LEU 37 -0.624 -2.253 -2.945 991 HD23 LEU 37 2HD2 LEU 37 -0.961 -3.063 -1.415 992 H LEU 38 H LEU 38 -5.429 -4.580 -2.913 993 HA LEU 38 HA LEU 38 -4.854 -6.693 -4.774 994 HG LEU 38 HG LEU 38 -4.854 -8.916 -3.717 995 HB2 LEU 38 2HB LEU 38 -4.770 -6.804 -2.222 996 HB3 LEU 38 1HB LEU 38 -6.520 -6.865 -2.264 997 HD11 LEU 38 1HD1 LEU 38 -5.787 -9.016 -0.850 998 HD12 LEU 38 2HD1 LEU 38 -4.114 -8.916 -1.395 999 HD13 LEU 38 3HD1 LEU 38 -5.071 -10.355 -1.749 1000 HD21 LEU 38 3HD2 LEU 38 -7.651 -8.959 -2.579 1001 HD22 LEU 38 1HD2 LEU 38 -6.852 -10.301 -3.400 1002 HD23 LEU 38 2HD2 LEU 38 -7.226 -8.822 -4.285 1003 H LYS 39 H LYS 39 -7.586 -4.756 -3.867 1004 HA LYS 39 HA LYS 39 -9.558 -6.507 -4.983 1005 HB2 LYS 39 2HB LYS 39 -9.723 -4.627 -3.104 1006 HB3 LYS 39 1HB LYS 39 -10.156 -3.630 -4.484 1007 HG2 LYS 39 2HG LYS 39 -11.550 -6.176 -3.674 1008 HG3 LYS 39 1HG LYS 39 -12.112 -4.546 -3.311 1009 HD2 LYS 39 2HD LYS 39 -12.472 -4.076 -5.622 1010 HD3 LYS 39 1HD LYS 39 -11.644 -5.555 -6.112 1011 HE2 LYS 39 2HE LYS 39 -13.423 -6.869 -5.009 1012 HE3 LYS 39 1HE LYS 39 -14.262 -5.365 -4.624 1013 HZ1 LYS 39 3HZ LYS 39 -14.622 -4.927 -6.900 1014 HZ2 LYS 39 1HZ LYS 39 -15.046 -6.555 -6.671 1015 HZ3 LYS 39 2HZ LYS 39 -13.563 -6.156 -7.395 1016 H THR 40 H THR 40 -8.190 -3.355 -5.964 1017 HA THR 40 HA THR 40 -8.670 -4.013 -8.718 1018 HB THR 40 HB THR 40 -10.846 -3.258 -8.320 1019 HG1 THR 40 1HG THR 40 -9.686 -0.863 -9.257 1020 HG21 THR 40 3HG2 THR 40 -11.408 -1.113 -7.254 1021 HG22 THR 40 1HG2 THR 40 -9.697 -0.845 -6.924 1022 HG23 THR 40 2HG2 THR 40 -10.541 -2.188 -6.153 1023 H ALA 41 H ALA 41 -6.418 -3.819 -8.625 1024 HA ALA 41 HA ALA 41 -5.589 -1.113 -9.368 1025 HB1 ALA 41 3HB ALA 41 -4.006 -2.870 -7.492 1026 HB2 ALA 41 1HB ALA 41 -4.830 -1.372 -7.063 1027 HB3 ALA 41 2HB ALA 41 -3.460 -1.337 -8.173 1028 H ILE 42 H ILE 42 -6.251 -3.820 -10.534 1029 HA ILE 42 HA ILE 42 -3.795 -4.167 -12.130 1030 HB ILE 42 HB ILE 42 -5.779 -6.356 -11.464 1031 HG12 ILE 42 2HG1 ILE 42 -3.034 -5.889 -10.270 1032 HG13 ILE 42 1HG1 ILE 42 -4.553 -5.587 -9.441 1033 HG21 ILE 42 1HG2 ILE 42 -4.560 -6.667 -13.553 1034 HG22 ILE 42 2HG2 ILE 42 -4.053 -7.845 -12.342 1035 HG23 ILE 42 3HG2 ILE 42 -3.030 -6.455 -12.701 1036 HD11 ILE 42 3HD1 ILE 42 -3.595 -7.683 -8.726 1037 HD12 ILE 42 1HD1 ILE 42 -3.559 -8.257 -10.392 1038 HD13 ILE 42 2HD1 ILE 42 -5.104 -7.967 -9.594 1039 H GLU 43 H GLU 43 -4.095 -3.860 -14.272 1040 HA GLU 43 HA GLU 43 -6.869 -3.570 -15.198 1041 HB2 GLU 43 2HB GLU 43 -5.944 -2.146 -16.989 1042 HB3 GLU 43 1HB GLU 43 -5.603 -1.521 -15.382 1043 HG2 GLU 43 2HG GLU 43 -3.356 -1.983 -15.528 1044 HG3 GLU 43 1HG GLU 43 -3.586 -3.238 -16.746 1045 H ILE 44 H ILE 44 -7.192 -3.987 -17.554 1046 HA ILE 44 HA ILE 44 -5.776 -6.427 -18.319 1047 HB ILE 44 HB ILE 44 -7.897 -6.738 -19.792 1048 HG12 ILE 44 2HG1 ILE 44 -9.922 -5.964 -18.321 1049 HG13 ILE 44 1HG1 ILE 44 -8.810 -4.713 -17.783 1050 HG21 ILE 44 1HG2 ILE 44 -7.943 -7.206 -16.824 1051 HG22 ILE 44 2HG2 ILE 44 -7.200 -8.249 -18.036 1052 HG23 ILE 44 3HG2 ILE 44 -8.951 -8.033 -18.011 1053 HD11 ILE 44 3HD1 ILE 44 -8.539 -3.963 -20.083 1054 HD12 ILE 44 1HD1 ILE 44 -10.232 -3.934 -19.592 1055 HD13 ILE 44 2HD1 ILE 44 -9.638 -5.230 -20.630 1056 H VAL 45 H VAL 45 -4.756 -6.527 -20.194 1057 HA VAL 45 HA VAL 45 -5.123 -4.335 -22.119 1058 HB VAL 45 HB VAL 45 -2.993 -5.224 -23.166 1059 HG11 VAL 45 1HG1 VAL 45 -2.862 -4.219 -20.325 1060 HG12 VAL 45 2HG1 VAL 45 -2.990 -3.234 -21.783 1061 HG13 VAL 45 3HG1 VAL 45 -1.533 -4.181 -21.483 1062 HG21 VAL 45 3HG2 VAL 45 -2.840 -6.781 -20.582 1063 HG22 VAL 45 1HG2 VAL 45 -1.534 -6.605 -21.754 1064 HG23 VAL 45 2HG2 VAL 45 -3.008 -7.463 -22.201 1065 H SER 46 H SER 46 -6.228 -4.747 -23.929 1066 HA SER 46 HA SER 46 -7.029 -7.534 -24.357 1067 HG SER 46 HG SER 46 -8.226 -5.858 -22.921 1068 HB2 SER 46 2HB SER 46 -8.361 -5.083 -25.479 1069 HB3 SER 46 1HB SER 46 -9.033 -6.703 -25.324 1070 H GLU 47 H GLU 47 -6.266 -8.595 -26.014 1071 HA GLU 47 HA GLU 47 -5.209 -7.164 -28.350 1072 HB2 GLU 47 2HB GLU 47 -5.002 -10.086 -27.565 1073 HB3 GLU 47 1HB GLU 47 -4.279 -9.376 -29.000 1074 HG2 GLU 47 2HG GLU 47 -2.898 -7.943 -27.555 1075 HG3 GLU 47 1HG GLU 47 -3.587 -8.744 -26.142 1076 H GLU 48 H GLU 48 -6.295 -7.202 -30.255 1077 HA GLU 48 HA GLU 48 -8.922 -8.102 -30.459 1078 HB2 GLU 48 2HB GLU 48 -6.900 -7.552 -32.636 1079 HB3 GLU 48 1HB GLU 48 -8.601 -7.875 -32.944 1080 HG2 GLU 48 2HG GLU 48 -9.152 -5.916 -31.502 1081 HG3 GLU 48 1HG GLU 48 -7.427 -5.554 -31.434 1082 H ASP 49 H ASP 49 -5.908 -9.622 -31.418 1083 HA ASP 49 HA ASP 49 -7.343 -12.183 -31.586 1084 HB2 ASP 49 2HB ASP 49 -6.313 -11.656 -33.726 1085 HB3 ASP 49 1HB ASP 49 -4.770 -11.353 -32.936 1086 H GLY 50 H GLY 50 -7.032 -13.403 -29.876 1087 HA2 GLY 50 2HA GLY 50 -5.154 -14.598 -28.660 1088 HA3 GLY 50 1HA GLY 50 -4.588 -12.977 -28.276 1089 H GLY 51 H GLY 51 -6.459 -11.567 -27.290 1090 HA2 GLY 51 2HA GLY 51 -8.622 -12.100 -25.991 1091 HA3 GLY 51 1HA GLY 51 -7.538 -13.145 -25.080 1092 H ALA 52 H ALA 52 -8.781 -11.336 -23.658 1093 HA ALA 52 HA ALA 52 -7.055 -9.012 -23.320 1094 HB1 ALA 52 3HB ALA 52 -9.513 -9.810 -21.758 1095 HB2 ALA 52 1HB ALA 52 -9.499 -8.729 -23.153 1096 HB3 ALA 52 2HB ALA 52 -8.666 -8.266 -21.669 1097 H HIS 53 H HIS 53 -5.471 -8.903 -21.884 1098 HA HIS 53 HA HIS 53 -5.118 -11.201 -20.072 1099 HD1 HIS 53 1HD HIS 53 -3.050 -13.036 -21.274 1100 HD2 HIS 53 2HD HIS 53 -3.311 -9.747 -23.808 1101 HE1 HIS 53 1HE HIS 53 -2.954 -13.962 -23.603 1102 HE2 HIS 53 2HE HIS 53 -2.858 -11.930 -25.109 1103 HB2 HIS 53 2HB HIS 53 -3.030 -9.278 -21.116 1104 HB3 HIS 53 1HB HIS 53 -2.730 -10.700 -20.121 1105 H ASN 54 H ASN 54 -5.303 -10.842 -17.945 1106 HA ASN 54 HA ASN 54 -5.314 -8.119 -16.906 1107 HB2 ASN 54 2HB ASN 54 -6.717 -10.346 -16.192 1108 HB3 ASN 54 1HB ASN 54 -5.397 -10.418 -15.032 1109 HD21 ASN 54 2HD2 ASN 54 -8.319 -8.439 -13.743 1110 HD22 ASN 54 1HD2 ASN 54 -8.173 -9.995 -14.489 1111 H GLN 55 H GLN 55 -3.348 -7.221 -16.583 1112 HA GLN 55 HA GLN 55 -1.110 -9.051 -16.108 1113 HB2 GLN 55 2HB GLN 55 0.301 -7.069 -16.806 1114 HB3 GLN 55 1HB GLN 55 -0.708 -7.788 -18.051 1115 HG2 GLN 55 2HG GLN 55 -2.290 -5.994 -17.883 1116 HG3 GLN 55 1HG GLN 55 -1.445 -5.322 -16.490 1117 HE21 GLN 55 2HE2 GLN 55 -0.016 -3.140 -18.815 1118 HE22 GLN 55 1HE2 GLN 55 -1.194 -3.348 -17.566 1119 H CYS 56 H CYS 56 -0.288 -9.222 -14.180 1120 HA CYS 56 HA CYS 56 -0.902 -7.371 -12.078 1121 HG CYS 56 HG CYS 56 -0.536 -8.292 -9.400 1122 HB2 CYS 56 2HB CYS 56 -0.573 -9.825 -11.719 1123 HB3 CYS 56 1HB CYS 56 1.135 -9.609 -12.087 1124 H LYS 57 H LYS 57 -0.007 -5.450 -12.028 1125 HA LYS 57 HA LYS 57 2.219 -4.643 -13.506 1126 HB2 LYS 57 2HB LYS 57 0.420 -3.150 -12.752 1127 HB3 LYS 57 1HB LYS 57 0.951 -3.343 -11.089 1128 HG2 LYS 57 2HG LYS 57 1.733 -1.244 -11.887 1129 HG3 LYS 57 1HG LYS 57 3.123 -2.321 -11.732 1130 HD2 LYS 57 2HD LYS 57 3.128 -2.726 -14.108 1131 HD3 LYS 57 1HD LYS 57 1.643 -1.795 -14.305 1132 HE2 LYS 57 2HE LYS 57 2.820 0.214 -13.511 1133 HE3 LYS 57 1HE LYS 57 4.302 -0.730 -13.366 1134 HZ1 LYS 57 3HZ LYS 57 4.350 -1.072 -15.706 1135 HZ2 LYS 57 1HZ LYS 57 4.118 0.586 -15.445 1136 HZ3 LYS 57 2HZ LYS 57 2.809 -0.386 -15.908 1137 H LEU 58 H LEU 58 1.972 -5.818 -10.219 1138 HA LEU 58 HA LEU 58 4.662 -4.873 -9.603 1139 HG LEU 58 HG LEU 58 2.069 -3.712 -8.578 1140 HB2 LEU 58 2HB LEU 58 2.510 -6.059 -7.865 1141 HB3 LEU 58 1HB LEU 58 4.084 -5.551 -7.287 1142 HD11 LEU 58 1HD1 LEU 58 1.697 -2.846 -6.324 1143 HD12 LEU 58 2HD1 LEU 58 2.757 -4.094 -5.668 1144 HD13 LEU 58 3HD1 LEU 58 1.241 -4.544 -6.449 1145 HD21 LEU 58 3HD2 LEU 58 4.644 -3.153 -7.116 1146 HD22 LEU 58 1HD2 LEU 58 3.511 -1.936 -7.705 1147 HD23 LEU 58 2HD2 LEU 58 4.370 -2.968 -8.848 1148 H CYS 59 H CYS 59 3.632 -7.487 -11.110 1149 HA CYS 59 HA CYS 59 5.705 -9.160 -9.875 1150 HG CYS 59 HG CYS 59 5.540 -11.938 -10.843 1151 HB2 CYS 59 2HB CYS 59 3.474 -9.933 -9.107 1152 HB3 CYS 59 1HB CYS 59 3.016 -10.200 -10.784 1153 H GLY 60 H GLY 60 3.979 -8.161 -12.731 1154 HA2 GLY 60 2HA GLY 60 4.716 -8.191 -14.924 1155 HA3 GLY 60 1HA GLY 60 6.169 -9.020 -14.384 1156 H ALA 61 H ALA 61 2.725 -9.872 -14.192 1157 HA ALA 61 HA ALA 61 3.130 -12.099 -16.019 1158 HB1 ALA 61 3HB ALA 61 2.266 -13.765 -14.475 1159 HB2 ALA 61 1HB ALA 61 2.126 -12.545 -13.208 1160 HB3 ALA 61 2HB ALA 61 3.715 -13.016 -13.806 1161 H SER 62 H SER 62 1.278 -12.639 -17.109 1162 HA SER 62 HA SER 62 -1.098 -11.040 -16.444 1163 HG SER 62 HG SER 62 1.082 -11.195 -19.515 1164 HB2 SER 62 2HB SER 62 -1.541 -11.469 -19.002 1165 HB3 SER 62 1HB SER 62 -0.435 -10.197 -18.488 1166 H VAL 63 H VAL 63 -3.040 -11.974 -16.299 1167 HA VAL 63 HA VAL 63 -3.263 -14.866 -16.855 1168 HB VAL 63 HB VAL 63 -3.162 -14.404 -14.418 1169 HG11 VAL 63 1HG1 VAL 63 -5.014 -13.216 -13.316 1170 HG12 VAL 63 2HG1 VAL 63 -5.630 -12.749 -14.902 1171 HG13 VAL 63 3HG1 VAL 63 -4.055 -12.169 -14.362 1172 HG21 VAL 63 3HG2 VAL 63 -5.888 -15.304 -15.338 1173 HG22 VAL 63 1HG2 VAL 63 -5.192 -15.586 -13.742 1174 HG23 VAL 63 2HG2 VAL 63 -4.455 -16.319 -15.167 1175 HA PRO 64 HA PRO 64 -6.688 -14.014 -19.622 1176 HB2 PRO 64 1HB PRO 64 -7.544 -16.089 -19.826 1177 HB3 PRO 64 2HB PRO 64 -8.432 -15.878 -18.317 1178 HG2 PRO 64 2HG PRO 64 -6.864 -16.993 -17.096 1179 HG3 PRO 64 1HG PRO 64 -6.373 -17.661 -18.663 1180 HD2 PRO 64 2HD PRO 64 -4.645 -16.315 -17.107 1181 HD3 PRO 64 1HD PRO 64 -4.597 -16.182 -18.878 1182 H TRP 65 H TRP 65 -8.429 -12.689 -19.634 1183 HA TRP 65 HA TRP 65 -8.923 -11.103 -17.357 1184 HD1 TRP 65 HD TRP 65 -9.682 -12.690 -21.293 1185 HE1 TRP 65 1HE TRP 65 -11.870 -13.236 -22.545 1186 HE3 TRP 65 3HE TRP 65 -12.852 -9.566 -18.777 1187 HZ2 TRP 65 2HZ TRP 65 -14.575 -12.440 -22.465 1188 HZ3 TRP 65 3HZ TRP 65 -15.223 -9.518 -19.428 1189 HH2 TRP 65 HH TRP 65 -16.068 -10.925 -21.235 1190 HB2 TRP 65 2HB TRP 65 -10.449 -9.870 -18.726 1191 HB3 TRP 65 1HB TRP 65 -9.108 -10.360 -19.754 1192 H LEU 66 H LEU 66 -11.256 -10.546 -16.752 1193 HA LEU 66 HA LEU 66 -13.326 -11.051 -15.960 1194 HG LEU 66 HG LEU 66 -14.864 -13.579 -15.402 1195 HB2 LEU 66 2HB LEU 66 -13.593 -12.559 -17.945 1196 HB3 LEU 66 1HB LEU 66 -12.949 -13.869 -16.975 1197 HD11 LEU 66 1HD1 LEU 66 -15.882 -11.701 -17.528 1198 HD12 LEU 66 2HD1 LEU 66 -15.354 -11.238 -15.911 1199 HD13 LEU 66 3HD1 LEU 66 -16.780 -12.256 -16.114 1200 HD21 LEU 66 3HD2 LEU 66 -16.524 -14.609 -16.877 1201 HD22 LEU 66 1HD2 LEU 66 -14.916 -15.282 -17.150 1202 HD23 LEU 66 2HD2 LEU 66 -15.586 -14.110 -18.285 1203 H GLN 67 H GLN 67 -10.638 -13.186 -15.370 1204 HA GLN 67 HA GLN 67 -11.678 -13.923 -12.752 1205 HB2 GLN 67 2HB GLN 67 -9.144 -14.714 -14.194 1206 HB3 GLN 67 1HB GLN 67 -9.625 -15.318 -12.615 1207 HG2 GLN 67 2HG GLN 67 -11.669 -16.253 -13.626 1208 HG3 GLN 67 1HG GLN 67 -11.101 -15.717 -15.206 1209 HE21 GLN 67 2HE2 GLN 67 -9.558 -19.022 -13.429 1210 HE22 GLN 67 1HE2 GLN 67 -10.602 -17.934 -12.581 1211 H THR 68 H THR 68 -9.850 -13.921 -10.978 1212 HA THR 68 HA THR 68 -9.227 -11.103 -10.628 1213 HB THR 68 HB THR 68 -8.683 -13.371 -8.705 1214 HG1 THR 68 1HG THR 68 -11.015 -12.692 -9.590 1215 HG21 THR 68 3HG2 THR 68 -9.104 -10.412 -8.253 1216 HG22 THR 68 1HG2 THR 68 -7.556 -11.254 -8.181 1217 HG23 THR 68 2HG2 THR 68 -8.813 -11.619 -7.001 1218 H GLY 69 H GLY 69 -7.211 -10.208 -10.554 1219 HA2 GLY 69 2HA GLY 69 -5.143 -11.456 -11.993 1220 HA3 GLY 69 1HA GLY 69 -4.994 -9.968 -11.074 1221 H ASP 70 H ASP 70 -5.879 -11.541 -8.602 1222 HA ASP 70 HA ASP 70 -3.182 -12.499 -7.974 1223 HB2 ASP 70 2HB ASP 70 -4.249 -10.737 -6.544 1224 HB3 ASP 70 1HB ASP 70 -5.444 -11.928 -6.049 1225 H GLU 71 H GLU 71 -5.631 -13.917 -9.306 1226 HA GLU 71 HA GLU 71 -5.902 -16.227 -7.588 1227 HB2 GLU 71 2HB GLU 71 -6.806 -15.686 -10.414 1228 HB3 GLU 71 1HB GLU 71 -7.031 -17.239 -9.623 1229 HG2 GLU 71 2HG GLU 71 -8.246 -15.980 -7.798 1230 HG3 GLU 71 1HG GLU 71 -8.234 -14.592 -8.887 1231 H ILE 72 H ILE 72 -3.905 -15.213 -10.237 1232 HA ILE 72 HA ILE 72 -2.696 -17.832 -10.535 1233 HB ILE 72 HB ILE 72 -2.905 -16.471 -12.538 1234 HG12 ILE 72 2HG1 ILE 72 -0.015 -16.686 -11.666 1235 HG13 ILE 72 1HG1 ILE 72 -0.973 -17.987 -12.371 1236 HG21 ILE 72 1HG2 ILE 72 -1.673 -14.372 -12.822 1237 HG22 ILE 72 2HG2 ILE 72 -1.162 -14.450 -11.135 1238 HG23 ILE 72 3HG2 ILE 72 -2.870 -14.264 -11.531 1239 HD11 ILE 72 3HD1 ILE 72 -1.167 -16.722 -14.443 1240 HD12 ILE 72 1HD1 ILE 72 0.521 -16.982 -14.004 1241 HD13 ILE 72 2HD1 ILE 72 -0.227 -15.408 -13.735 1242 H LYS 73 H LYS 73 -0.783 -18.464 -9.645 1243 HA LYS 73 HA LYS 73 0.094 -17.186 -7.301 1244 HB2 LYS 73 2HB LYS 73 1.262 -19.381 -8.987 1245 HB3 LYS 73 1HB LYS 73 2.104 -18.775 -7.567 1246 HG2 LYS 73 2HG LYS 73 -0.652 -19.989 -7.617 1247 HG3 LYS 73 1HG LYS 73 0.821 -20.757 -7.021 1248 HD2 LYS 73 2HD LYS 73 1.027 -19.011 -5.309 1249 HD3 LYS 73 1HD LYS 73 -0.452 -18.257 -5.905 1250 HE2 LYS 73 2HE LYS 73 -0.954 -19.569 -3.952 1251 HE3 LYS 73 1HE LYS 73 -1.686 -20.318 -5.369 1252 HZ1 LYS 73 3HZ LYS 73 0.039 -21.951 -5.422 1253 HZ2 LYS 73 1HZ LYS 73 -0.592 -21.908 -3.851 1254 HZ3 LYS 73 2HZ LYS 73 0.901 -21.175 -4.185 1255 H HIS 74 H HIS 74 1.615 -15.757 -6.867 1256 HA HIS 74 HA HIS 74 3.039 -14.590 -9.161 1257 HD1 HIS 74 1HD HIS 74 -0.012 -12.420 -6.435 1258 HD2 HIS 74 2HD HIS 74 1.298 -13.009 -10.334 1259 HE1 HIS 74 1HE HIS 74 -1.944 -11.783 -7.894 1260 HE2 HIS 74 2HE HIS 74 -1.216 -12.402 -10.219 1261 HB2 HIS 74 2HB HIS 74 2.282 -13.328 -6.512 1262 HB3 HIS 74 1HB HIS 74 3.134 -12.519 -7.821 1263 H ALA 75 H ALA 75 5.066 -13.357 -8.320 1264 HA ALA 75 HA ALA 75 6.830 -15.225 -7.080 1265 HB1 ALA 75 3HB ALA 75 7.611 -13.689 -8.802 1266 HB2 ALA 75 1HB ALA 75 8.490 -13.419 -7.296 1267 HB3 ALA 75 2HB ALA 75 7.203 -12.311 -7.782 1268 H ASP 76 H ASP 76 7.780 -15.065 -5.044 1269 HA ASP 76 HA ASP 76 6.179 -13.815 -3.004 1270 HB2 ASP 76 2HB ASP 76 7.375 -16.022 -2.727 1271 HB3 ASP 76 1HB ASP 76 8.891 -15.132 -2.707 1272 H ASP 77 H ASP 77 8.650 -12.893 -5.024 1273 HA ASP 77 HA ASP 77 9.977 -10.995 -3.315 1274 HB2 ASP 77 2HB ASP 77 10.135 -11.380 -6.314 1275 HB3 ASP 77 1HB ASP 77 11.218 -10.385 -5.349 1276 H CYS 78 H CYS 78 7.018 -10.957 -4.815 1277 HA CYS 78 HA CYS 78 7.206 -8.212 -5.774 1278 HG CYS 78 HG CYS 78 4.704 -11.584 -5.318 1279 HB2 CYS 78 2HB CYS 78 5.105 -8.551 -6.835 1280 HB3 CYS 78 1HB CYS 78 6.054 -9.999 -7.126 1281 HA PRO 79 HA PRO 79 5.470 -6.380 -2.159 1282 HB2 PRO 79 1HB PRO 79 5.880 -4.301 -2.994 1283 HB3 PRO 79 2HB PRO 79 4.151 -4.275 -3.350 1284 HG2 PRO 79 2HG PRO 79 4.462 -4.833 -5.566 1285 HG3 PRO 79 1HG PRO 79 5.984 -3.972 -5.277 1286 HD2 PRO 79 2HD PRO 79 5.919 -6.502 -6.211 1287 HD3 PRO 79 1HD PRO 79 7.210 -5.922 -5.140 1288 H VAL 80 H VAL 80 3.488 -7.471 -4.791 1289 HA VAL 80 HA VAL 80 0.926 -7.010 -3.761 1290 HB VAL 80 HB VAL 80 1.839 -9.425 -5.342 1291 HG11 VAL 80 1HG1 VAL 80 -0.914 -8.237 -5.018 1292 HG12 VAL 80 2HG1 VAL 80 -0.341 -9.740 -4.294 1293 HG13 VAL 80 3HG1 VAL 80 -0.486 -9.607 -6.046 1294 HG21 VAL 80 3HG2 VAL 80 2.396 -7.350 -6.474 1295 HG22 VAL 80 1HG2 VAL 80 0.727 -6.800 -6.308 1296 HG23 VAL 80 2HG2 VAL 80 1.099 -8.207 -7.307 1297 H VAL 81 H VAL 81 3.149 -9.724 -3.270 1298 HA VAL 81 HA VAL 81 1.468 -11.200 -1.544 1299 HB VAL 81 HB VAL 81 4.482 -11.210 -1.787 1300 HG11 VAL 81 1HG1 VAL 81 3.805 -12.125 0.368 1301 HG12 VAL 81 2HG1 VAL 81 4.399 -13.403 -0.694 1302 HG13 VAL 81 3HG1 VAL 81 2.665 -13.204 -0.436 1303 HG21 VAL 81 3HG2 VAL 81 4.130 -13.232 -3.125 1304 HG22 VAL 81 1HG2 VAL 81 3.344 -11.828 -3.849 1305 HG23 VAL 81 2HG2 VAL 81 2.384 -13.023 -2.976 1306 H ILE 82 H ILE 82 3.957 -8.766 -0.994 1307 HA ILE 82 HA ILE 82 4.106 -8.867 1.792 1308 HB ILE 82 HB ILE 82 4.452 -6.478 -0.026 1309 HG12 ILE 82 2HG1 ILE 82 5.937 -8.369 -0.569 1310 HG13 ILE 82 1HG1 ILE 82 6.838 -7.005 0.076 1311 HG21 ILE 82 1HG2 ILE 82 5.803 -5.531 1.803 1312 HG22 ILE 82 2HG2 ILE 82 5.337 -6.892 2.824 1313 HG23 ILE 82 3HG2 ILE 82 4.113 -5.757 2.257 1314 HD11 ILE 82 3HD1 ILE 82 6.050 -9.459 1.620 1315 HD12 ILE 82 1HD1 ILE 82 6.990 -8.100 2.236 1316 HD13 ILE 82 2HD1 ILE 82 7.648 -9.121 0.957 1317 H ALA 83 H ALA 83 2.062 -6.821 -0.285 1318 HA ALA 83 HA ALA 83 0.837 -5.316 1.706 1319 HB1 ALA 83 3HB ALA 83 -0.895 -4.832 0.070 1320 HB2 ALA 83 1HB ALA 83 -0.357 -6.185 -0.923 1321 HB3 ALA 83 2HB ALA 83 0.701 -4.795 -0.680 1322 H LYS 84 H LYS 84 -0.370 -8.318 0.183 1323 HA LYS 84 HA LYS 84 -2.639 -8.400 1.899 1324 HB2 LYS 84 2HB LYS 84 -2.989 -10.691 1.008 1325 HB3 LYS 84 1HB LYS 84 -2.886 -9.437 -0.204 1326 HG2 LYS 84 2HG LYS 84 -0.619 -10.130 -0.751 1327 HG3 LYS 84 1HG LYS 84 -0.699 -11.379 0.498 1328 HD2 LYS 84 2HD LYS 84 -2.518 -12.476 -0.654 1329 HD3 LYS 84 1HD LYS 84 -2.593 -11.180 -1.844 1330 HE2 LYS 84 2HE LYS 84 -0.408 -11.777 -2.684 1331 HE3 LYS 84 1HE LYS 84 -0.225 -13.000 -1.425 1332 HZ1 LYS 84 3HZ LYS 84 -0.904 -13.974 -3.541 1333 HZ2 LYS 84 1HZ LYS 84 -2.308 -13.022 -3.557 1334 HZ3 LYS 84 2HZ LYS 84 -2.088 -14.206 -2.358 1335 H GLN 85 H GLN 85 0.575 -9.637 2.112 1336 HA GLN 85 HA GLN 85 0.269 -11.447 4.236 1337 HB2 GLN 85 2HB GLN 85 2.346 -11.277 3.005 1338 HB3 GLN 85 1HB GLN 85 2.555 -9.608 3.509 1339 HG2 GLN 85 2HG GLN 85 2.827 -10.361 5.827 1340 HG3 GLN 85 1HG GLN 85 2.664 -12.033 5.289 1341 HE21 GLN 85 2HE2 GLN 85 6.119 -9.974 4.735 1342 HE22 GLN 85 1HE2 GLN 85 4.675 -9.189 5.262 1343 H ILE 86 H ILE 86 0.616 -7.933 4.172 1344 HA ILE 86 HA ILE 86 0.825 -7.642 7.011 1345 HB ILE 86 HB ILE 86 0.164 -5.579 4.905 1346 HG12 ILE 86 2HG1 ILE 86 2.798 -6.200 6.262 1347 HG13 ILE 86 1HG1 ILE 86 2.364 -6.705 4.631 1348 HG21 ILE 86 1HG2 ILE 86 -0.555 -4.889 7.138 1349 HG22 ILE 86 2HG2 ILE 86 0.809 -3.924 6.575 1350 HG23 ILE 86 3HG2 ILE 86 1.067 -5.204 7.762 1351 HD11 ILE 86 3HD1 ILE 86 3.773 -4.749 4.574 1352 HD12 ILE 86 1HD1 ILE 86 2.636 -3.871 5.596 1353 HD13 ILE 86 2HD1 ILE 86 2.162 -4.363 3.970 1354 H LEU 87 H LEU 87 -1.816 -7.244 4.659 1355 HA LEU 87 HA LEU 87 -3.649 -6.224 6.565 1356 HG LEU 87 HG LEU 87 -3.309 -8.185 3.413 1357 HB2 LEU 87 2HB LEU 87 -5.387 -6.613 4.896 1358 HB3 LEU 87 1HB LEU 87 -3.997 -5.802 4.215 1359 HD11 LEU 87 1HD1 LEU 87 -4.996 -9.421 4.660 1360 HD12 LEU 87 2HD1 LEU 87 -5.207 -9.641 2.923 1361 HD13 LEU 87 3HD1 LEU 87 -6.275 -8.553 3.811 1362 HD21 LEU 87 3HD2 LEU 87 -3.894 -6.350 1.942 1363 HD22 LEU 87 1HD2 LEU 87 -5.611 -6.667 2.197 1364 HD23 LEU 87 2HD2 LEU 87 -4.609 -7.853 1.361 1365 H SER 88 H SER 88 -2.509 -9.371 5.959 1366 HA SER 88 HA SER 88 -4.701 -10.661 7.325 1367 HG SER 88 HG SER 88 -3.062 -11.273 4.633 1368 HB2 SER 88 2HB SER 88 -1.991 -11.729 6.484 1369 HB3 SER 88 1HB SER 88 -3.351 -12.691 7.053 1370 H SER 89 H SER 89 -4.816 -9.894 9.385 1371 HA SER 89 HA SER 89 -2.597 -9.150 10.939 1372 HG SER 89 HG SER 89 -5.654 -10.662 11.125 1373 HB2 SER 89 2HB SER 89 -4.351 -9.235 12.829 1374 HB3 SER 89 1HB SER 89 -4.626 -8.118 11.490 1375 H ARG 90 H ARG 90 -1.115 -10.431 11.702 1376 HA ARG 90 HA ARG 90 -0.042 -12.065 12.830 1377 HE ARG 90 HE ARG 90 -1.654 -14.317 15.790 1378 HB2 ARG 90 2HB ARG 90 -2.730 -12.132 14.032 1379 HB3 ARG 90 1HB ARG 90 -1.772 -13.587 14.252 1380 HG2 ARG 90 2HG ARG 90 0.065 -12.089 15.127 1381 HG3 ARG 90 1HG ARG 90 -1.136 -10.794 15.141 1382 HD2 ARG 90 2HD ARG 90 -0.883 -11.959 17.335 1383 HD3 ARG 90 1HD ARG 90 -2.520 -12.000 16.680 1384 HH11 ARG 90 1HH1 ARG 90 -1.098 -12.894 18.957 1385 HH12 ARG 90 2HH1 ARG 90 -1.010 -14.431 19.754 1386 HH21 ARG 90 2HH2 ARG 90 -1.224 -16.376 18.562 1387 HH22 ARG 90 1HH2 ARG 90 -1.503 -16.313 16.841 1388 HA PRO 91 HA PRO 91 -1.107 -15.544 10.056 1389 HB2 PRO 91 1HB PRO 91 -0.518 -14.411 8.116 1390 HB3 PRO 91 2HB PRO 91 0.955 -15.359 8.351 1391 HG2 PRO 91 2HG PRO 91 2.138 -13.561 9.165 1392 HG3 PRO 91 1HG PRO 91 0.983 -12.660 8.169 1393 HD2 PRO 91 2HD PRO 91 1.313 -12.410 10.935 1394 HD3 PRO 91 1HD PRO 91 -0.075 -11.829 9.996 1395 H LYS 92 H LYS 92 0.293 -17.517 9.787 1396 HA LYS 92 HA LYS 92 2.065 -17.762 12.067 1397 HB2 LYS 92 2HB LYS 92 1.052 -19.783 10.074 1398 HB3 LYS 92 1HB LYS 92 2.204 -20.180 11.343 1399 HG2 LYS 92 2HG LYS 92 0.532 -19.382 13.009 1400 HG3 LYS 92 1HG LYS 92 -0.624 -19.208 11.684 1401 HD2 LYS 92 2HD LYS 92 0.794 -21.776 12.386 1402 HD3 LYS 92 1HD LYS 92 -0.827 -21.355 12.936 1403 HE2 LYS 92 2HE LYS 92 -1.651 -21.331 10.692 1404 HE3 LYS 92 1HE LYS 92 -0.023 -21.498 10.038 1405 HZ1 LYS 92 3HZ LYS 92 0.132 -23.690 10.901 1406 HZ2 LYS 92 1HZ LYS 92 -1.333 -23.586 10.054 1407 HZ3 LYS 92 2HZ LYS 92 -1.326 -23.541 11.751 1408 H LEU 93 H LEU 93 2.359 -16.862 8.919 1409 HA LEU 93 HA LEU 93 5.126 -17.763 8.684 1410 HG LEU 93 HG LEU 93 4.603 -19.075 6.679 1411 HB2 LEU 93 2HB LEU 93 3.286 -16.369 6.744 1412 HB3 LEU 93 1HB LEU 93 4.998 -16.573 6.439 1413 HD11 LEU 93 1HD1 LEU 93 1.735 -18.199 6.377 1414 HD12 LEU 93 2HD1 LEU 93 2.440 -19.009 7.776 1415 HD13 LEU 93 3HD1 LEU 93 2.324 -19.854 6.232 1416 HD21 LEU 93 3HD2 LEU 93 3.273 -17.608 4.407 1417 HD22 LEU 93 1HD2 LEU 93 3.825 -19.282 4.378 1418 HD23 LEU 93 2HD2 LEU 93 4.994 -17.973 4.541 1419 H HIS 94 H HIS 94 6.836 -16.392 8.811 1420 HA HIS 94 HA HIS 94 6.240 -13.545 9.224 1421 HD1 HIS 94 1HD HIS 94 9.924 -15.797 10.730 1422 HD2 HIS 94 2HD HIS 94 6.106 -16.546 12.212 1423 HE1 HIS 94 1HE HIS 94 10.034 -18.079 11.778 1424 HE2 HIS 94 2HE HIS 94 7.669 -18.581 12.494 1425 HB2 HIS 94 2HB HIS 94 8.364 -13.714 10.828 1426 HB3 HIS 94 1HB HIS 94 6.727 -13.953 11.418 1427 H ALA 95 H ALA 95 7.459 -12.170 8.135 1428 HA ALA 95 HA ALA 95 9.216 -13.127 6.120 1429 HB1 ALA 95 3HB ALA 95 7.825 -11.134 5.810 1430 HB2 ALA 95 1HB ALA 95 9.532 -10.768 5.564 1431 HB3 ALA 95 2HB ALA 95 8.738 -10.300 7.067 1432 H VAL 96 H VAL 96 11.434 -12.359 5.834 1433 HA VAL 96 HA VAL 96 13.609 -12.327 6.451 1434 HB VAL 96 HB VAL 96 12.643 -11.169 9.076 1435 HG11 VAL 96 1HG1 VAL 96 14.907 -12.017 9.231 1436 HG12 VAL 96 2HG1 VAL 96 14.929 -10.253 9.224 1437 HG13 VAL 96 3HG1 VAL 96 15.360 -11.147 7.766 1438 HG21 VAL 96 3HG2 VAL 96 13.180 -8.981 8.089 1439 HG22 VAL 96 1HG2 VAL 96 11.899 -9.805 7.200 1440 HG23 VAL 96 2HG2 VAL 96 13.539 -9.772 6.554 Start of MODEL 13 1 HA MET 1 HA MET 1 25.901 14.683 -7.396 2 H1 MET 1 1H MET 1 24.617 12.574 -9.028 3 H2 MET 1 2H MET 1 25.475 12.339 -7.584 4 H3 MET 1 3H MET 1 26.280 12.913 -8.959 5 HB2 MET 1 2HB MET 1 24.893 16.269 -8.910 6 HB3 MET 1 1HB MET 1 25.867 15.137 -9.837 7 HG2 MET 1 2HG MET 1 23.840 13.912 -10.453 8 HG3 MET 1 1HG MET 1 22.873 15.076 -9.548 9 HE1 MET 1 3HE MET 1 24.412 17.817 -10.211 10 HE2 MET 1 1HE MET 1 22.657 17.646 -10.198 11 HE3 MET 1 2HE MET 1 23.461 18.377 -11.588 12 H GLY 2 H GLY 2 23.619 12.394 -7.267 13 HA2 GLY 2 2HA GLY 2 21.221 13.744 -6.687 14 HA3 GLY 2 1HA GLY 2 21.654 12.137 -6.121 15 H SER 3 H SER 3 20.755 15.104 -5.099 16 HA SER 3 HA SER 3 22.462 15.082 -2.708 17 HG SER 3 HG SER 3 22.347 16.999 -5.109 18 HB2 SER 3 2HB SER 3 20.585 17.237 -3.713 19 HB3 SER 3 1HB SER 3 21.712 17.382 -2.362 20 H SER 4 H SER 4 19.678 13.742 -3.649 21 HA SER 4 HA SER 4 18.382 14.127 -1.038 22 HG SER 4 HG SER 4 15.200 13.397 -2.470 23 HB2 SER 4 2HB SER 4 16.997 14.761 -2.997 24 HB3 SER 4 1HB SER 4 17.150 13.117 -3.616 25 H HIS 5 H HIS 5 18.466 12.497 0.329 26 HA HIS 5 HA HIS 5 18.402 9.764 -0.641 27 HD1 HIS 5 1HD HIS 5 22.033 12.213 0.082 28 HD2 HIS 5 2HD HIS 5 20.337 10.363 3.404 29 HE1 HIS 5 1HE HIS 5 22.953 13.425 2.081 30 HE2 HIS 5 2HE HIS 5 22.054 12.182 4.079 31 HB2 HIS 5 2HB HIS 5 20.295 9.064 0.816 32 HB3 HIS 5 1HB HIS 5 20.794 10.105 -0.508 33 H HIS 6 H HIS 6 17.479 8.338 0.793 34 HA HIS 6 HA HIS 6 15.939 9.612 2.889 35 HD1 HIS 6 1HD HIS 6 12.631 7.891 2.115 36 HD2 HIS 6 2HD HIS 6 15.692 8.555 -0.614 37 HE1 HIS 6 1HE HIS 6 11.506 8.707 0.025 38 HE2 HIS 6 2HE HIS 6 13.390 9.296 -1.537 39 HB2 HIS 6 2HB HIS 6 15.971 6.754 1.881 40 HB3 HIS 6 1HB HIS 6 14.859 7.371 3.099 41 H HIS 7 H HIS 7 15.945 8.904 5.105 42 HA HIS 7 HA HIS 7 18.639 8.742 6.013 43 HD1 HIS 7 1HD HIS 7 19.501 10.313 8.039 44 HD2 HIS 7 2HD HIS 7 16.913 7.781 10.095 45 HE1 HIS 7 1HE HIS 7 20.538 9.968 10.307 46 HE2 HIS 7 2HE HIS 7 19.048 8.299 11.466 47 HB2 HIS 7 2HB HIS 7 16.892 10.106 7.129 48 HB3 HIS 7 1HB HIS 7 16.102 8.623 7.651 49 H HIS 8 H HIS 8 16.399 6.322 5.247 50 HA HIS 8 HA HIS 8 18.051 4.391 6.731 51 HD1 HIS 8 1HD HIS 8 17.472 3.667 9.125 52 HD2 HIS 8 2HD HIS 8 13.853 5.519 8.234 53 HE1 HIS 8 1HE HIS 8 16.648 4.632 11.295 54 HE2 HIS 8 2HE HIS 8 14.395 5.645 10.763 55 HB2 HIS 8 2HB HIS 8 15.078 4.240 6.216 56 HB3 HIS 8 1HB HIS 8 16.042 2.894 6.804 57 H HIS 9 H HIS 9 15.550 4.239 4.200 58 HA HIS 9 HA HIS 9 15.410 3.054 2.292 59 HD1 HIS 9 1HD HIS 9 19.353 2.573 0.488 60 HD2 HIS 9 2HD HIS 9 19.019 5.889 2.974 61 HE1 HIS 9 1HE HIS 9 21.713 3.276 1.000 62 HE2 HIS 9 2HE HIS 9 21.481 5.398 2.354 63 HB2 HIS 9 2HB HIS 9 17.007 3.564 0.573 64 HB3 HIS 9 1HB HIS 9 16.745 5.001 1.539 65 H HIS 10 H HIS 10 15.955 1.469 4.394 66 HA HIS 10 HA HIS 10 16.380 -0.702 4.859 67 HD1 HIS 10 1HD HIS 10 15.108 -3.029 4.387 68 HD2 HIS 10 2HD HIS 10 18.386 -3.437 1.854 69 HE1 HIS 10 1HE HIS 10 15.710 -5.475 4.437 70 HE2 HIS 10 2HE HIS 10 17.616 -5.716 2.801 71 HB2 HIS 10 2HB HIS 10 15.588 -1.021 2.502 72 HB3 HIS 10 1HB HIS 10 17.267 -0.984 1.982 73 H SER 11 H SER 11 18.524 1.367 5.120 74 HA SER 11 HA SER 11 20.906 -0.289 4.997 75 HG SER 11 HG SER 11 20.858 3.492 6.539 76 HB2 SER 11 2HB SER 11 22.031 1.607 6.110 77 HB3 SER 11 1HB SER 11 21.146 2.133 4.680 78 H SER 12 H SER 12 18.241 -0.055 6.920 79 HA SER 12 HA SER 12 19.470 -1.724 8.949 80 HG SER 12 HG SER 12 20.507 0.332 9.351 81 HB2 SER 12 2HB SER 12 17.833 0.730 9.659 82 HB3 SER 12 1HB SER 12 18.459 -0.462 10.800 83 H GLY 13 H GLY 13 17.608 -2.570 10.436 84 HA2 GLY 13 2HA GLY 13 15.331 -3.290 10.567 85 HA3 GLY 13 1HA GLY 13 15.139 -2.894 8.862 86 H ARG 14 H ARG 14 17.077 -5.002 10.951 87 HA ARG 14 HA ARG 14 17.432 -6.915 8.792 88 HE ARG 14 HE ARG 14 21.764 -9.725 10.034 89 HB2 ARG 14 2HB ARG 14 19.261 -6.238 10.381 90 HB3 ARG 14 1HB ARG 14 18.373 -7.043 11.664 91 HG2 ARG 14 2HG ARG 14 18.532 -9.149 10.298 92 HG3 ARG 14 1HG ARG 14 19.660 -8.281 9.253 93 HD2 ARG 14 2HD ARG 14 21.058 -7.815 11.262 94 HD3 ARG 14 1HD ARG 14 19.974 -8.845 12.199 95 HH11 ARG 14 1HH1 ARG 14 19.704 -10.470 12.781 96 HH12 ARG 14 2HH1 ARG 14 20.163 -12.152 12.815 97 HH21 ARG 14 2HH2 ARG 14 21.683 -12.971 11.286 98 HH22 ARG 14 1HH2 ARG 14 22.365 -11.908 10.092 99 H GLU 15 H GLU 15 15.084 -6.299 11.008 100 HA GLU 15 HA GLU 15 14.345 -9.126 11.316 101 HB2 GLU 15 2HB GLU 15 13.622 -8.599 13.630 102 HB3 GLU 15 1HB GLU 15 15.354 -8.389 13.397 103 HG2 GLU 15 2HG GLU 15 14.778 -5.920 12.966 104 HG3 GLU 15 1HG GLU 15 13.234 -6.307 13.721 105 H ASN 16 H ASN 16 12.057 -9.464 11.764 106 HA ASN 16 HA ASN 16 10.369 -7.228 10.862 107 HB2 ASN 16 2HB ASN 16 8.856 -8.774 9.823 108 HB3 ASN 16 1HB ASN 16 10.473 -9.173 9.262 109 HD21 ASN 16 2HD2 ASN 16 10.504 -12.375 10.649 110 HD22 ASN 16 1HD2 ASN 16 11.426 -11.107 9.908 111 H LEU 17 H LEU 17 8.585 -6.735 12.066 112 HA LEU 17 HA LEU 17 8.106 -8.394 14.444 113 HG LEU 17 HG LEU 17 10.443 -6.475 14.654 114 HB2 LEU 17 2HB LEU 17 8.249 -5.381 14.294 115 HB3 LEU 17 1HB LEU 17 7.608 -6.259 15.670 116 HD11 LEU 17 1HD1 LEU 17 9.322 -5.047 17.058 117 HD12 LEU 17 2HD1 LEU 17 10.013 -4.290 15.624 118 HD13 LEU 17 3HD1 LEU 17 11.035 -5.254 16.691 119 HD21 LEU 17 3HD2 LEU 17 9.688 -8.526 15.713 120 HD22 LEU 17 1HD2 LEU 17 9.112 -7.614 17.109 121 HD23 LEU 17 2HD2 LEU 17 10.837 -7.686 16.754 122 H TYR 18 H TYR 18 5.977 -7.030 15.476 123 HA TYR 18 HA TYR 18 3.968 -7.328 13.344 124 HD1 TYR 18 2HD TYR 18 3.873 -10.070 13.307 125 HD2 TYR 18 1HD TYR 18 0.791 -8.161 15.537 126 HE1 TYR 18 2HE TYR 18 2.191 -11.406 12.110 127 HE2 TYR 18 1HE TYR 18 -0.899 -9.495 14.349 128 HH TYR 18 HH TYR 18 -0.047 -12.149 12.282 129 HB2 TYR 18 2HB TYR 18 4.252 -8.893 15.603 130 HB3 TYR 18 1HB TYR 18 3.018 -7.736 16.087 131 H PHE 19 H PHE 19 1.765 -6.431 14.809 132 HA PHE 19 HA PHE 19 2.149 -3.609 14.642 133 HD1 PHE 19 1HD PHE 19 0.642 -2.783 12.934 134 HD2 PHE 19 2HD PHE 19 -1.054 -6.544 13.962 135 HE1 PHE 19 1HE PHE 19 0.039 -3.141 10.577 136 HE2 PHE 19 2HE PHE 19 -1.658 -6.920 11.604 137 HZ PHE 19 HZ PHE 19 -1.112 -5.216 9.909 138 HB2 PHE 19 2HB PHE 19 -0.220 -5.214 15.627 139 HB3 PHE 19 1HB PHE 19 -0.227 -3.474 15.356 140 H GLN 20 H GLN 20 1.487 -2.123 16.399 141 HA GLN 20 HA GLN 20 1.674 -1.225 18.470 142 HB2 GLN 20 2HB GLN 20 0.409 -3.226 19.245 143 HB3 GLN 20 1HB GLN 20 1.940 -4.052 19.504 144 HG2 GLN 20 2HG GLN 20 2.562 -2.449 21.197 145 HG3 GLN 20 1HG GLN 20 1.101 -1.512 20.886 146 HE21 GLN 20 2HE2 GLN 20 -0.288 -3.208 23.586 147 HE22 GLN 20 1HE2 GLN 20 0.333 -1.717 22.959 148 H GLY 21 H GLY 21 3.870 -4.028 18.265 149 HA2 GLY 21 2HA GLY 21 6.034 -2.378 19.337 150 HA3 GLY 21 1HA GLY 21 6.091 -4.114 19.054 151 H MET 22 H MET 22 5.997 -0.988 17.399 152 HA MET 22 HA MET 22 7.811 -2.054 15.378 153 HB2 MET 22 2HB MET 22 6.459 -0.967 13.565 154 HB3 MET 22 1HB MET 22 5.712 -2.384 14.291 155 HG2 MET 22 2HG MET 22 4.232 -1.001 15.582 156 HG3 MET 22 1HG MET 22 5.047 0.457 15.022 157 HE1 MET 22 3HE MET 22 4.384 -2.632 12.712 158 HE2 MET 22 1HE MET 22 2.757 -2.305 12.110 159 HE3 MET 22 2HE MET 22 3.005 -2.713 13.809 160 H THR 23 H THR 23 9.063 -0.489 14.329 161 HA THR 23 HA THR 23 8.922 2.232 15.420 162 HB THR 23 HB THR 23 11.434 2.197 15.590 163 HG1 THR 23 1HG THR 23 12.351 0.024 15.737 164 HG21 THR 23 3HG2 THR 23 9.950 0.198 17.296 165 HG22 THR 23 1HG2 THR 23 10.070 1.935 17.586 166 HG23 THR 23 2HG2 THR 23 11.510 0.923 17.690 167 H ASP 24 H ASP 24 11.479 2.877 14.051 168 HA ASP 24 HA ASP 24 10.648 4.097 11.783 169 HB2 ASP 24 2HB ASP 24 13.330 3.032 12.593 170 HB3 ASP 24 1HB ASP 24 13.126 3.783 11.015 171 H THR 25 H THR 25 12.037 0.822 11.917 172 HA THR 25 HA THR 25 12.298 0.340 9.212 173 HB THR 25 HB THR 25 11.507 -1.711 11.288 174 HG1 THR 25 1HG THR 25 13.437 -1.431 12.105 175 HG21 THR 25 3HG2 THR 25 11.439 -2.518 8.968 176 HG22 THR 25 1HG2 THR 25 12.755 -3.267 9.873 177 HG23 THR 25 2HG2 THR 25 13.098 -1.969 8.730 178 H ALA 26 H ALA 26 9.451 -0.167 11.264 179 HA ALA 26 HA ALA 26 7.897 -1.488 9.312 180 HB1 ALA 26 3HB ALA 26 5.997 -1.023 10.781 181 HB2 ALA 26 1HB ALA 26 6.993 0.097 11.712 182 HB3 ALA 26 2HB ALA 26 7.382 -1.623 11.691 183 H ALA 27 H ALA 27 8.271 1.901 10.188 184 HA ALA 27 HA ALA 27 6.130 2.901 8.637 185 HB1 ALA 27 3HB ALA 27 7.198 4.174 10.450 186 HB2 ALA 27 1HB ALA 27 7.163 5.078 8.935 187 HB3 ALA 27 2HB ALA 27 8.658 4.315 9.471 188 H GLU 28 H GLU 28 9.531 2.304 7.928 189 HA GLU 28 HA GLU 28 9.402 3.504 5.331 190 HB2 GLU 28 2HB GLU 28 11.510 3.465 6.542 191 HB3 GLU 28 1HB GLU 28 11.485 1.707 6.580 192 HG2 GLU 28 2HG GLU 28 11.924 1.531 4.297 193 HG3 GLU 28 1HG GLU 28 11.463 3.205 3.988 194 H ASP 29 H ASP 29 9.167 0.235 6.617 195 HA ASP 29 HA ASP 29 9.271 -1.131 4.152 196 HB2 ASP 29 2HB ASP 29 9.443 -2.075 6.547 197 HB3 ASP 29 1HB ASP 29 7.681 -2.101 6.517 198 H VAL 30 H VAL 30 6.556 0.159 6.038 199 HA VAL 30 HA VAL 30 4.563 -0.624 4.169 200 HB VAL 30 HB VAL 30 4.480 1.565 6.260 201 HG11 VAL 30 1HG1 VAL 30 2.042 1.443 6.036 202 HG12 VAL 30 2HG1 VAL 30 2.224 0.310 4.698 203 HG13 VAL 30 3HG1 VAL 30 2.802 1.969 4.534 204 HG21 VAL 30 3HG2 VAL 30 3.213 -0.066 7.570 205 HG22 VAL 30 1HG2 VAL 30 4.832 -0.657 7.191 206 HG23 VAL 30 2HG2 VAL 30 3.440 -1.263 6.293 207 H ARG 31 H ARG 31 6.576 2.265 4.519 208 HA ARG 31 HA ARG 31 5.386 3.850 2.517 209 HE ARG 31 HE ARG 31 8.595 6.879 4.190 210 HB2 ARG 31 2HB ARG 31 7.159 4.657 4.076 211 HB3 ARG 31 1HB ARG 31 8.333 3.684 3.199 212 HG2 ARG 31 2HG ARG 31 7.553 5.023 1.132 213 HG3 ARG 31 1HG ARG 31 6.888 6.151 2.313 214 HD2 ARG 31 2HD ARG 31 9.760 5.307 1.986 215 HD3 ARG 31 1HD ARG 31 9.074 6.905 1.703 216 HH11 ARG 31 1HH1 ARG 31 11.265 5.166 2.713 217 HH12 ARG 31 2HH1 ARG 31 12.235 5.145 4.162 218 HH21 ARG 31 2HH2 ARG 31 11.425 6.152 6.088 219 HH22 ARG 31 1HH2 ARG 31 9.866 6.914 6.084 220 H LYS 32 H LYS 32 7.776 1.274 2.388 221 HA LYS 32 HA LYS 32 8.452 1.456 -0.337 222 HB2 LYS 32 2HB LYS 32 9.667 0.142 1.414 223 HB3 LYS 32 1HB LYS 32 8.354 -1.022 1.394 224 HG2 LYS 32 2HG LYS 32 10.202 -1.854 0.101 225 HG3 LYS 32 1HG LYS 32 8.845 -1.507 -0.969 226 HD2 LYS 32 2HD LYS 32 10.698 0.734 -0.607 227 HD3 LYS 32 1HD LYS 32 11.417 -0.683 -1.376 228 HE2 LYS 32 2HE LYS 32 8.870 0.667 -2.272 229 HE3 LYS 32 1HE LYS 32 10.457 0.930 -2.993 230 HZ1 LYS 32 3HZ LYS 32 9.111 -1.715 -2.852 231 HZ2 LYS 32 1HZ LYS 32 10.539 -1.342 -3.683 232 HZ3 LYS 32 2HZ LYS 32 9.061 -0.691 -4.205 233 H ILE 33 H ILE 33 5.898 -0.302 1.361 234 HA ILE 33 HA ILE 33 4.772 -1.565 -0.912 235 HB ILE 33 HB ILE 33 3.404 -0.769 1.666 236 HG12 ILE 33 2HG1 ILE 33 4.664 -3.406 0.889 237 HG13 ILE 33 1HG1 ILE 33 5.416 -2.217 1.950 238 HG21 ILE 33 1HG2 ILE 33 1.813 -1.275 -0.107 239 HG22 ILE 33 2HG2 ILE 33 1.810 -2.555 1.108 240 HG23 ILE 33 3HG2 ILE 33 2.639 -2.800 -0.430 241 HD11 ILE 33 3HD1 ILE 33 2.822 -3.645 2.486 242 HD12 ILE 33 1HD1 ILE 33 3.623 -2.497 3.559 243 HD13 ILE 33 2HD1 ILE 33 4.388 -4.045 3.193 244 H ALA 34 H ALA 34 4.044 1.470 0.778 245 HA ALA 34 HA ALA 34 1.891 2.310 -0.786 246 HB1 ALA 34 3HB ALA 34 2.514 3.378 1.322 247 HB2 ALA 34 1HB ALA 34 2.385 4.558 0.017 248 HB3 ALA 34 2HB ALA 34 3.972 4.021 0.565 249 H THR 35 H THR 35 5.365 2.750 -1.270 250 HA THR 35 HA THR 35 5.238 4.432 -3.514 251 HB THR 35 HB THR 35 7.347 2.349 -2.898 252 HG1 THR 35 1HG THR 35 6.910 3.913 -1.180 253 HG21 THR 35 3HG2 THR 35 8.842 3.824 -4.163 254 HG22 THR 35 1HG2 THR 35 7.490 4.894 -4.521 255 HG23 THR 35 2HG2 THR 35 7.510 3.253 -5.170 256 H ALA 36 H ALA 36 5.023 0.939 -3.171 257 HA ALA 36 HA ALA 36 5.236 0.339 -5.944 258 HB1 ALA 36 3HB ALA 36 3.980 -1.317 -3.760 259 HB2 ALA 36 1HB ALA 36 5.696 -1.306 -4.173 260 HB3 ALA 36 2HB ALA 36 4.513 -1.887 -5.343 261 H LEU 37 H LEU 37 2.454 0.782 -3.755 262 HA LEU 37 HA LEU 37 0.554 0.151 -5.760 263 HG LEU 37 HG LEU 37 1.206 2.066 -2.654 264 HB2 LEU 37 2HB LEU 37 -1.117 1.029 -4.215 265 HB3 LEU 37 1HB LEU 37 -0.038 -0.112 -3.453 266 HD11 LEU 37 1HD1 LEU 37 -1.594 3.067 -3.136 267 HD12 LEU 37 2HD1 LEU 37 -0.126 3.648 -3.919 268 HD13 LEU 37 3HD1 LEU 37 -0.358 3.893 -2.188 269 HD21 LEU 37 3HD2 LEU 37 0.186 0.395 -1.205 270 HD22 LEU 37 1HD2 LEU 37 -1.396 1.133 -1.459 271 HD23 LEU 37 2HD2 LEU 37 -0.128 2.028 -0.618 272 H LEU 38 H LEU 38 2.225 3.087 -4.913 273 HA LEU 38 HA LEU 38 0.597 4.884 -6.387 274 HG LEU 38 HG LEU 38 2.204 5.202 -3.727 275 HB2 LEU 38 2HB LEU 38 3.548 4.972 -5.753 276 HB3 LEU 38 1HB LEU 38 2.672 6.288 -6.505 277 HD11 LEU 38 1HD1 LEU 38 4.262 6.493 -3.955 278 HD12 LEU 38 2HD1 LEU 38 3.061 7.368 -3.005 279 HD13 LEU 38 3HD1 LEU 38 3.355 7.819 -4.685 280 HD21 LEU 38 3HD2 LEU 38 0.117 5.959 -4.739 281 HD22 LEU 38 1HD2 LEU 38 0.874 7.492 -5.175 282 HD23 LEU 38 2HD2 LEU 38 0.644 7.072 -3.478 283 H LYS 39 H LYS 39 3.155 2.675 -7.234 284 HA LYS 39 HA LYS 39 3.395 3.617 -9.950 285 HB2 LYS 39 2HB LYS 39 5.183 2.471 -8.426 286 HB3 LYS 39 1HB LYS 39 4.420 0.979 -8.952 287 HG2 LYS 39 2HG LYS 39 6.327 1.425 -10.334 288 HG3 LYS 39 1HG LYS 39 4.858 1.619 -11.294 289 HD2 LYS 39 2HD LYS 39 4.987 4.008 -11.119 290 HD3 LYS 39 1HD LYS 39 6.329 3.897 -9.977 291 HE2 LYS 39 2HE LYS 39 7.702 2.851 -11.738 292 HE3 LYS 39 1HE LYS 39 6.362 3.042 -12.869 293 HZ1 LYS 39 3HZ LYS 39 8.103 4.804 -12.979 294 HZ2 LYS 39 1HZ LYS 39 7.619 5.314 -11.436 295 HZ3 LYS 39 2HZ LYS 39 6.528 5.385 -12.735 296 H THR 40 H THR 40 1.256 1.724 -8.246 297 HA THR 40 HA THR 40 0.619 -0.069 -10.466 298 HB THR 40 HB THR 40 -0.516 -0.032 -7.658 299 HG1 THR 40 1HG THR 40 1.804 -0.490 -7.844 300 HG21 THR 40 3HG2 THR 40 -1.953 -1.174 -9.273 301 HG22 THR 40 1HG2 THR 40 -1.208 -2.331 -8.168 302 HG23 THR 40 2HG2 THR 40 -0.587 -2.152 -9.809 303 H ALA 41 H ALA 41 -0.990 2.271 -8.307 304 HA ALA 41 HA ALA 41 -3.426 2.060 -9.891 305 HB1 ALA 41 3HB ALA 41 -4.476 3.310 -8.092 306 HB2 ALA 41 1HB ALA 41 -2.904 3.536 -7.322 307 HB3 ALA 41 2HB ALA 41 -3.593 1.919 -7.466 308 H ILE 42 H ILE 42 -0.701 3.960 -10.006 309 HA ILE 42 HA ILE 42 -2.240 6.169 -11.214 310 HB ILE 42 HB ILE 42 0.413 6.426 -9.779 311 HG12 ILE 42 2HG1 ILE 42 -2.334 7.443 -8.999 312 HG13 ILE 42 1HG1 ILE 42 -1.501 6.084 -8.248 313 HG21 ILE 42 1HG2 ILE 42 0.223 7.952 -11.669 314 HG22 ILE 42 2HG2 ILE 42 0.136 8.834 -10.145 315 HG23 ILE 42 3HG2 ILE 42 -1.334 8.524 -11.068 316 HD11 ILE 42 3HD1 ILE 42 0.264 7.591 -7.495 317 HD12 ILE 42 1HD1 ILE 42 -1.319 8.076 -6.889 318 HD13 ILE 42 2HD1 ILE 42 -0.586 8.949 -8.236 319 H GLU 43 H GLU 43 -1.962 6.224 -13.332 320 HA GLU 43 HA GLU 43 0.643 5.428 -14.440 321 HB2 GLU 43 2HB GLU 43 -0.993 3.575 -14.664 322 HB3 GLU 43 1HB GLU 43 -2.049 4.642 -15.575 323 HG2 GLU 43 2HG GLU 43 -0.784 3.132 -17.023 324 HG3 GLU 43 1HG GLU 43 -0.403 4.825 -17.338 325 H ILE 44 H ILE 44 1.085 6.260 -16.572 326 HA ILE 44 HA ILE 44 0.078 8.962 -16.907 327 HB ILE 44 HB ILE 44 2.202 7.415 -18.391 328 HG12 ILE 44 2HG1 ILE 44 2.760 8.073 -16.063 329 HG13 ILE 44 1HG1 ILE 44 3.781 8.868 -17.258 330 HG21 ILE 44 1HG2 ILE 44 1.409 10.301 -18.726 331 HG22 ILE 44 2HG2 ILE 44 1.156 9.006 -19.896 332 HG23 ILE 44 3HG2 ILE 44 2.794 9.517 -19.484 333 HD11 ILE 44 3HD1 ILE 44 3.121 10.407 -15.504 334 HD12 ILE 44 1HD1 ILE 44 1.420 10.095 -15.855 335 HD13 ILE 44 2HD1 ILE 44 2.435 10.890 -17.057 336 H VAL 45 H VAL 45 -1.644 9.375 -18.093 337 HA VAL 45 HA VAL 45 -2.038 7.802 -20.546 338 HB VAL 45 HB VAL 45 -4.454 8.638 -20.401 339 HG11 VAL 45 1HG1 VAL 45 -3.835 6.315 -20.020 340 HG12 VAL 45 2HG1 VAL 45 -5.107 6.805 -18.898 341 HG13 VAL 45 3HG1 VAL 45 -3.439 6.683 -18.341 342 HG21 VAL 45 3HG2 VAL 45 -4.244 10.333 -18.720 343 HG22 VAL 45 1HG2 VAL 45 -3.561 9.176 -17.575 344 HG23 VAL 45 2HG2 VAL 45 -5.243 9.033 -18.070 345 H SER 46 H SER 46 -1.269 8.929 -22.193 346 HA SER 46 HA SER 46 -1.128 11.831 -21.942 347 HG SER 46 HG SER 46 1.728 9.738 -22.394 348 HB2 SER 46 2HB SER 46 0.279 9.992 -23.885 349 HB3 SER 46 1HB SER 46 0.595 11.713 -23.663 350 H GLU 47 H GLU 47 -1.494 13.188 -23.758 351 HA GLU 47 HA GLU 47 -3.682 12.303 -25.476 352 HB2 GLU 47 2HB GLU 47 -2.381 15.025 -25.240 353 HB3 GLU 47 1HB GLU 47 -3.863 14.654 -26.108 354 HG2 GLU 47 2HG GLU 47 -4.977 14.112 -24.034 355 HG3 GLU 47 1HG GLU 47 -3.484 14.390 -23.136 356 H GLU 48 H GLU 48 -3.506 12.205 -27.709 357 HA GLU 48 HA GLU 48 -1.003 11.539 -28.795 358 HB2 GLU 48 2HB GLU 48 -3.089 10.686 -29.728 359 HB3 GLU 48 1HB GLU 48 -3.565 12.312 -30.198 360 HG2 GLU 48 2HG GLU 48 -1.648 12.416 -31.726 361 HG3 GLU 48 1HG GLU 48 -1.223 10.763 -31.281 362 H ASP 49 H ASP 49 -2.906 14.499 -28.929 363 HA ASP 49 HA ASP 49 -0.745 15.812 -30.421 364 HB2 ASP 49 2HB ASP 49 -3.071 16.054 -31.265 365 HB3 ASP 49 1HB ASP 49 -3.504 16.866 -29.763 366 H GLY 50 H GLY 50 -2.462 15.887 -27.374 367 HA2 GLY 50 2HA GLY 50 -1.183 18.308 -26.468 368 HA3 GLY 50 1HA GLY 50 -2.231 17.260 -25.523 369 H GLY 51 H GLY 51 -1.229 16.417 -23.821 370 HA2 GLY 51 2HA GLY 51 1.474 15.365 -24.160 371 HA3 GLY 51 1HA GLY 51 1.226 16.602 -22.936 372 H ALA 52 H ALA 52 2.047 14.874 -21.563 373 HA ALA 52 HA ALA 52 0.436 12.533 -21.132 374 HB1 ALA 52 3HB ALA 52 2.858 12.403 -20.927 375 HB2 ALA 52 1HB ALA 52 2.077 11.987 -19.401 376 HB3 ALA 52 2HB ALA 52 2.820 13.572 -19.606 377 H HIS 53 H HIS 53 -0.747 12.018 -19.293 378 HA HIS 53 HA HIS 53 -1.179 14.156 -17.331 379 HD1 HIS 53 1HD HIS 53 -3.917 15.997 -17.219 380 HD2 HIS 53 2HD HIS 53 -2.567 14.757 -20.956 381 HE1 HIS 53 1HE HIS 53 -3.930 18.045 -18.659 382 HE2 HIS 53 2HE HIS 53 -2.999 17.312 -20.875 383 HB2 HIS 53 2HB HIS 53 -3.305 12.815 -18.983 384 HB3 HIS 53 1HB HIS 53 -3.674 13.491 -17.399 385 H ASN 54 H ASN 54 -1.256 13.440 -15.299 386 HA ASN 54 HA ASN 54 -1.032 10.579 -14.818 387 HB2 ASN 54 2HB ASN 54 -0.900 12.958 -12.949 388 HB3 ASN 54 1HB ASN 54 -0.703 11.290 -12.434 389 HD21 ASN 54 2HD2 ASN 54 2.599 11.025 -13.472 390 HD22 ASN 54 1HD2 ASN 54 1.194 10.223 -12.869 391 H GLN 55 H GLN 55 -2.798 9.366 -14.504 392 HA GLN 55 HA GLN 55 -4.972 10.554 -12.913 393 HB2 GLN 55 2HB GLN 55 -5.225 8.774 -15.334 394 HB3 GLN 55 1HB GLN 55 -6.510 8.913 -14.144 395 HG2 GLN 55 2HG GLN 55 -6.247 11.472 -14.589 396 HG3 GLN 55 1HG GLN 55 -5.501 10.927 -16.091 397 HE21 GLN 55 2HE2 GLN 55 -8.497 9.867 -17.562 398 HE22 GLN 55 1HE2 GLN 55 -6.773 9.853 -17.620 399 H CYS 56 H CYS 56 -5.713 9.363 -11.242 400 HA CYS 56 HA CYS 56 -4.367 6.807 -10.762 401 HG CYS 56 HG CYS 56 -5.705 10.260 -8.282 402 HB2 CYS 56 2HB CYS 56 -5.207 7.078 -8.424 403 HB3 CYS 56 1HB CYS 56 -4.130 8.369 -8.944 404 H LYS 57 H LYS 57 -5.441 4.931 -10.550 405 HA LYS 57 HA LYS 57 -7.995 4.750 -11.835 406 HB2 LYS 57 2HB LYS 57 -6.144 3.092 -12.098 407 HB3 LYS 57 1HB LYS 57 -6.376 2.612 -10.427 408 HG2 LYS 57 2HG LYS 57 -7.525 0.972 -11.527 409 HG3 LYS 57 1HG LYS 57 -8.819 2.123 -11.203 410 HD2 LYS 57 2HD LYS 57 -7.271 2.060 -13.787 411 HD3 LYS 57 1HD LYS 57 -8.761 1.156 -13.536 412 HE2 LYS 57 2HE LYS 57 -9.925 3.274 -13.049 413 HE3 LYS 57 1HE LYS 57 -8.432 4.151 -13.376 414 HZ1 LYS 57 3HZ LYS 57 -8.769 2.592 -15.588 415 HZ2 LYS 57 1HZ LYS 57 -9.166 4.242 -15.471 416 HZ3 LYS 57 2HZ LYS 57 -10.354 3.066 -15.209 417 H LEU 58 H LEU 58 -7.074 5.401 -8.703 418 HA LEU 58 HA LEU 58 -9.151 3.830 -7.418 419 HG LEU 58 HG LEU 58 -8.986 4.416 -4.662 420 HB2 LEU 58 2HB LEU 58 -6.695 4.200 -6.619 421 HB3 LEU 58 1HB LEU 58 -7.326 5.707 -5.977 422 HD11 LEU 58 1HD1 LEU 58 -7.457 2.058 -5.752 423 HD12 LEU 58 2HD1 LEU 58 -9.150 2.448 -6.053 424 HD13 LEU 58 3HD1 LEU 58 -8.627 1.982 -4.433 425 HD21 LEU 58 3HD2 LEU 58 -6.102 3.648 -4.229 426 HD22 LEU 58 1HD2 LEU 58 -7.386 3.542 -3.025 427 HD23 LEU 58 2HD2 LEU 58 -6.885 5.117 -3.647 428 H CYS 59 H CYS 59 -8.228 7.268 -7.720 429 HA CYS 59 HA CYS 59 -10.858 7.943 -6.577 430 HG CYS 59 HG CYS 59 -9.920 7.707 -4.078 431 HB2 CYS 59 2HB CYS 59 -8.281 9.516 -6.461 432 HB3 CYS 59 1HB CYS 59 -9.827 10.057 -5.814 433 H GLY 60 H GLY 60 -9.244 7.914 -9.462 434 HA2 GLY 60 2HA GLY 60 -9.675 8.896 -11.493 435 HA3 GLY 60 1HA GLY 60 -11.197 9.432 -10.799 436 H ALA 61 H ALA 61 -7.912 10.278 -9.785 437 HA ALA 61 HA ALA 61 -8.579 13.100 -10.229 438 HB1 ALA 61 3HB ALA 61 -7.848 12.525 -7.973 439 HB2 ALA 61 1HB ALA 61 -6.684 13.594 -8.756 440 HB3 ALA 61 2HB ALA 61 -6.342 11.869 -8.618 441 H SER 62 H SER 62 -7.595 14.254 -11.766 442 HA SER 62 HA SER 62 -5.347 12.990 -13.175 443 HG SER 62 HG SER 62 -8.002 15.455 -14.682 444 HB2 SER 62 2HB SER 62 -6.275 14.372 -15.164 445 HB3 SER 62 1HB SER 62 -7.107 12.885 -14.706 446 H VAL 63 H VAL 63 -3.622 14.249 -13.761 447 HA VAL 63 HA VAL 63 -3.708 17.128 -13.336 448 HB VAL 63 HB VAL 63 -3.081 16.170 -11.128 449 HG11 VAL 63 1HG1 VAL 63 -0.907 15.103 -10.831 450 HG12 VAL 63 2HG1 VAL 63 -0.667 15.111 -12.578 451 HG13 VAL 63 3HG1 VAL 63 -1.966 14.150 -11.872 452 HG21 VAL 63 3HG2 VAL 63 -1.073 17.532 -10.759 453 HG22 VAL 63 1HG2 VAL 63 -2.284 18.384 -11.719 454 HG23 VAL 63 2HG2 VAL 63 -0.868 17.685 -12.504 455 HA PRO 64 HA PRO 64 -1.040 17.021 -16.943 456 HB2 PRO 64 1HB PRO 64 -1.206 19.265 -17.262 457 HB3 PRO 64 2HB PRO 64 0.320 19.381 -16.384 458 HG2 PRO 64 2HG PRO 64 -0.719 19.920 -14.392 459 HG3 PRO 64 1HG PRO 64 -1.909 20.605 -15.515 460 HD2 PRO 64 2HD PRO 64 -2.623 18.813 -13.662 461 HD3 PRO 64 1HD PRO 64 -3.353 18.803 -15.281 462 H TRP 65 H TRP 65 0.918 16.195 -17.347 463 HA TRP 65 HA TRP 65 2.389 14.978 -15.326 464 HD1 TRP 65 HD TRP 65 1.607 16.497 -19.276 465 HE1 TRP 65 1HE TRP 65 3.076 17.788 -20.950 466 HE3 TRP 65 3HE TRP 65 6.217 15.020 -17.610 467 HZ2 TRP 65 2HZ TRP 65 5.823 18.125 -21.490 468 HZ3 TRP 65 3HZ TRP 65 8.214 15.873 -18.769 469 HH2 TRP 65 HH TRP 65 8.017 17.392 -20.666 470 HB2 TRP 65 2HB TRP 65 3.947 14.327 -17.053 471 HB3 TRP 65 1HB TRP 65 2.313 14.255 -17.703 472 H LEU 66 H LEU 66 2.827 18.146 -16.752 473 HA LEU 66 HA LEU 66 5.589 18.310 -15.947 474 HG LEU 66 HG LEU 66 5.985 21.341 -16.227 475 HB2 LEU 66 2HB LEU 66 4.680 19.314 -18.052 476 HB3 LEU 66 1HB LEU 66 3.837 20.493 -17.066 477 HD11 LEU 66 1HD1 LEU 66 7.201 19.332 -18.118 478 HD12 LEU 66 2HD1 LEU 66 7.294 19.301 -16.357 479 HD13 LEU 66 3HD1 LEU 66 8.082 20.595 -17.258 480 HD21 LEU 66 3HD2 LEU 66 5.029 22.395 -18.183 481 HD22 LEU 66 1HD2 LEU 66 5.798 21.203 -19.233 482 HD23 LEU 66 2HD2 LEU 66 6.785 22.345 -18.321 483 H GLN 67 H GLN 67 2.758 18.644 -14.283 484 HA GLN 67 HA GLN 67 3.462 20.860 -12.623 485 HB2 GLN 67 2HB GLN 67 1.143 20.161 -12.743 486 HB3 GLN 67 1HB GLN 67 1.554 18.554 -12.165 487 HG2 GLN 67 2HG GLN 67 0.512 19.922 -10.434 488 HG3 GLN 67 1HG GLN 67 2.151 19.444 -10.002 489 HE21 GLN 67 2HE2 GLN 67 1.161 23.348 -10.457 490 HE22 GLN 67 1HE2 GLN 67 0.063 22.072 -10.885 491 H THR 68 H THR 68 3.084 17.523 -11.511 492 HA THR 68 HA THR 68 5.792 17.233 -10.665 493 HB THR 68 HB THR 68 3.733 17.546 -8.462 494 HG1 THR 68 1HG THR 68 5.247 19.409 -9.684 495 HG21 THR 68 3HG2 THR 68 6.697 16.983 -8.379 496 HG22 THR 68 1HG2 THR 68 5.396 15.894 -7.893 497 HG23 THR 68 2HG2 THR 68 5.709 17.363 -6.969 498 H GLY 69 H GLY 69 2.481 16.238 -9.811 499 HA2 GLY 69 2HA GLY 69 1.593 14.052 -9.979 500 HA3 GLY 69 1HA GLY 69 3.229 13.437 -10.218 501 H ASP 70 H ASP 70 1.823 12.064 -8.423 502 HA ASP 70 HA ASP 70 1.961 11.209 -6.322 503 HB2 ASP 70 2HB ASP 70 4.323 11.584 -6.331 504 HB3 ASP 70 1HB ASP 70 4.117 13.304 -6.030 505 H GLU 71 H GLU 71 2.227 14.751 -6.059 506 HA GLU 71 HA GLU 71 0.513 14.881 -3.768 507 HB2 GLU 71 2HB GLU 71 1.618 17.002 -5.611 508 HB3 GLU 71 1HB GLU 71 0.640 17.362 -4.195 509 HG2 GLU 71 2HG GLU 71 3.197 15.799 -4.046 510 HG3 GLU 71 1HG GLU 71 3.137 17.558 -3.929 511 H ILE 72 H ILE 72 -1.236 13.604 -4.952 512 HA ILE 72 HA ILE 72 -3.139 15.572 -6.027 513 HB ILE 72 HB ILE 72 -4.154 13.641 -7.368 514 HG12 ILE 72 2HG1 ILE 72 -1.358 12.534 -7.024 515 HG13 ILE 72 1HG1 ILE 72 -2.820 11.835 -6.337 516 HG21 ILE 72 1HG2 ILE 72 -1.497 14.780 -8.207 517 HG22 ILE 72 2HG2 ILE 72 -3.069 15.563 -8.378 518 HG23 ILE 72 3HG2 ILE 72 -2.716 14.090 -9.282 519 HD11 ILE 72 3HD1 ILE 72 -2.231 12.135 -9.273 520 HD12 ILE 72 1HD1 ILE 72 -3.679 11.413 -8.574 521 HD13 ILE 72 2HD1 ILE 72 -2.110 10.646 -8.336 522 H LYS 73 H LYS 73 -4.549 15.840 -4.436 523 HA LYS 73 HA LYS 73 -5.586 13.436 -3.090 524 HB2 LYS 73 2HB LYS 73 -4.251 15.043 -1.665 525 HB3 LYS 73 1HB LYS 73 -5.506 16.236 -1.950 526 HG2 LYS 73 2HG LYS 73 -6.226 13.578 -0.798 527 HG3 LYS 73 1HG LYS 73 -5.509 14.817 0.230 528 HD2 LYS 73 2HD LYS 73 -7.996 15.185 -1.440 529 HD3 LYS 73 1HD LYS 73 -7.984 14.820 0.285 530 HE2 LYS 73 2HE LYS 73 -6.724 16.904 0.686 531 HE3 LYS 73 1HE LYS 73 -6.819 17.266 -1.035 532 HZ1 LYS 73 3HZ LYS 73 -9.142 16.969 0.792 533 HZ2 LYS 73 1HZ LYS 73 -9.224 17.345 -0.862 534 HZ3 LYS 73 2HZ LYS 73 -8.513 18.442 0.219 535 H HIS 74 H HIS 74 -7.428 12.979 -4.124 536 HA HIS 74 HA HIS 74 -9.268 15.185 -4.750 537 HD1 HIS 74 1HD HIS 74 -11.078 11.766 -7.414 538 HD2 HIS 74 2HD HIS 74 -11.088 15.815 -6.442 539 HE1 HIS 74 1HE HIS 74 -13.213 12.688 -8.361 540 HE2 HIS 74 2HE HIS 74 -13.124 15.160 -7.907 541 HB2 HIS 74 2HB HIS 74 -8.522 13.827 -6.677 542 HB3 HIS 74 1HB HIS 74 -9.172 12.386 -5.907 543 H ALA 75 H ALA 75 -8.757 12.796 -2.529 544 HA ALA 75 HA ALA 75 -11.444 12.993 -1.508 545 HB1 ALA 75 3HB ALA 75 -11.688 11.177 -3.127 546 HB2 ALA 75 1HB ALA 75 -11.891 10.594 -1.476 547 HB3 ALA 75 2HB ALA 75 -10.381 10.295 -2.338 548 H ASP 76 H ASP 76 -11.059 13.481 0.527 549 HA ASP 76 HA ASP 76 -8.717 12.657 1.926 550 HB2 ASP 76 2HB ASP 76 -11.261 14.022 2.816 551 HB3 ASP 76 1HB ASP 76 -9.932 13.666 3.906 552 H ASP 77 H ASP 77 -11.774 11.293 1.375 553 HA ASP 77 HA ASP 77 -11.915 9.671 3.735 554 HB2 ASP 77 2HB ASP 77 -13.968 10.300 2.643 555 HB3 ASP 77 1HB ASP 77 -13.429 9.604 1.120 556 H CYS 78 H CYS 78 -10.617 9.313 0.523 557 HA CYS 78 HA CYS 78 -10.500 6.452 0.600 558 HG CYS 78 HG CYS 78 -12.312 7.551 -1.069 559 HB2 CYS 78 2HB CYS 78 -9.248 8.460 -1.280 560 HB3 CYS 78 1HB CYS 78 -9.182 6.715 -1.504 561 HA PRO 79 HA PRO 79 -6.757 5.708 2.706 562 HB2 PRO 79 1HB PRO 79 -7.029 3.473 2.323 563 HB3 PRO 79 2HB PRO 79 -5.645 3.689 1.247 564 HG2 PRO 79 2HG PRO 79 -6.979 3.841 -0.646 565 HG3 PRO 79 1HG PRO 79 -7.933 2.704 0.327 566 HD2 PRO 79 2HD PRO 79 -8.998 4.977 -0.636 567 HD3 PRO 79 1HD PRO 79 -9.466 4.325 0.948 568 H VAL 80 H VAL 80 -6.675 7.129 -0.299 569 HA VAL 80 HA VAL 80 -3.951 7.020 -0.989 570 HB VAL 80 HB VAL 80 -5.925 9.257 -1.496 571 HG11 VAL 80 1HG1 VAL 80 -4.446 9.882 -3.347 572 HG12 VAL 80 2HG1 VAL 80 -3.311 8.622 -2.867 573 HG13 VAL 80 3HG1 VAL 80 -3.612 9.990 -1.797 574 HG21 VAL 80 3HG2 VAL 80 -6.247 8.202 -3.675 575 HG22 VAL 80 1HG2 VAL 80 -6.691 7.110 -2.364 576 HG23 VAL 80 2HG2 VAL 80 -5.157 6.895 -3.207 577 H VAL 81 H VAL 81 -5.777 9.166 1.151 578 HA VAL 81 HA VAL 81 -3.614 10.940 1.663 579 HB VAL 81 HB VAL 81 -6.105 10.462 3.309 580 HG11 VAL 81 1HG1 VAL 81 -4.162 12.770 3.323 581 HG12 VAL 81 2HG1 VAL 81 -4.377 11.580 4.608 582 HG13 VAL 81 3HG1 VAL 81 -5.680 12.702 4.219 583 HG21 VAL 81 3HG2 VAL 81 -6.693 11.134 1.076 584 HG22 VAL 81 1HG2 VAL 81 -5.509 12.441 1.118 585 HG23 VAL 81 2HG2 VAL 81 -6.927 12.505 2.161 586 H ILE 82 H ILE 82 -4.904 8.112 3.384 587 HA ILE 82 HA ILE 82 -3.194 8.409 5.623 588 HB ILE 82 HB ILE 82 -5.333 7.033 5.533 589 HG12 ILE 82 2HG1 ILE 82 -4.460 5.346 7.156 590 HG13 ILE 82 1HG1 ILE 82 -2.829 5.826 6.708 591 HG21 ILE 82 1HG2 ILE 82 -5.149 4.675 4.939 592 HG22 ILE 82 2HG2 ILE 82 -3.508 4.950 4.357 593 HG23 ILE 82 3HG2 ILE 82 -4.871 5.717 3.543 594 HD11 ILE 82 3HD1 ILE 82 -3.264 8.081 7.524 595 HD12 ILE 82 1HD1 ILE 82 -3.514 6.872 8.783 596 HD13 ILE 82 2HD1 ILE 82 -4.900 7.604 7.972 597 H ALA 83 H ALA 83 -2.921 6.644 2.590 598 HA ALA 83 HA ALA 83 -0.436 5.388 3.162 599 HB1 ALA 83 3HB ALA 83 -0.311 4.939 0.792 600 HB2 ALA 83 1HB ALA 83 -1.548 6.154 0.463 601 HB3 ALA 83 2HB ALA 83 -1.968 4.685 1.340 602 H LYS 84 H LYS 84 -1.383 8.457 1.751 603 HA LYS 84 HA LYS 84 1.115 9.344 0.855 604 HB2 LYS 84 2HB LYS 84 -1.253 10.368 0.527 605 HB3 LYS 84 1HB LYS 84 -0.925 11.210 2.034 606 HG2 LYS 84 2HG LYS 84 -0.374 12.660 0.225 607 HG3 LYS 84 1HG LYS 84 1.133 12.144 0.991 608 HD2 LYS 84 2HD LYS 84 1.551 10.558 -0.741 609 HD3 LYS 84 1HD LYS 84 -0.050 10.817 -1.435 610 HE2 LYS 84 2HE LYS 84 1.454 12.011 -2.805 611 HE3 LYS 84 1HE LYS 84 0.647 13.219 -1.809 612 HZ1 LYS 84 3HZ LYS 84 3.413 12.547 -1.969 613 HZ2 LYS 84 1HZ LYS 84 2.857 12.521 -0.365 614 HZ3 LYS 84 2HZ LYS 84 2.673 13.921 -1.306 615 H GLN 85 H GLN 85 -0.471 9.614 3.994 616 HA GLN 85 HA GLN 85 1.357 11.208 5.330 617 HB2 GLN 85 2HB GLN 85 -0.374 8.938 6.292 618 HB3 GLN 85 1HB GLN 85 0.554 9.954 7.371 619 HG2 GLN 85 2HG GLN 85 -0.684 11.911 6.616 620 HG3 GLN 85 1HG GLN 85 -1.609 10.894 5.512 621 HE21 GLN 85 2HE2 GLN 85 -2.248 9.848 9.381 622 HE22 GLN 85 1HE2 GLN 85 -0.654 9.865 8.709 623 H ILE 86 H ILE 86 1.438 7.764 4.640 624 HA ILE 86 HA ILE 86 3.664 7.226 6.345 625 HB ILE 86 HB ILE 86 2.681 5.495 4.079 626 HG12 ILE 86 2HG1 ILE 86 0.771 6.025 5.488 627 HG13 ILE 86 1HG1 ILE 86 1.260 4.357 5.756 628 HG21 ILE 86 1HG2 ILE 86 4.831 4.849 5.016 629 HG22 ILE 86 2HG2 ILE 86 3.588 3.664 5.418 630 HG23 ILE 86 3HG2 ILE 86 4.129 4.822 6.634 631 HD11 ILE 86 3HD1 ILE 86 1.892 6.683 7.552 632 HD12 ILE 86 1HD1 ILE 86 2.371 5.007 7.825 633 HD13 ILE 86 2HD1 ILE 86 0.663 5.451 7.836 634 H LEU 87 H LEU 87 3.249 7.449 2.826 635 HA LEU 87 HA LEU 87 5.997 6.953 2.297 636 HG LEU 87 HG LEU 87 2.917 8.564 1.155 637 HB2 LEU 87 2HB LEU 87 5.454 7.579 -0.026 638 HB3 LEU 87 1HB LEU 87 4.366 6.379 0.641 639 HD11 LEU 87 1HD1 LEU 87 4.557 10.106 0.235 640 HD12 LEU 87 2HD1 LEU 87 3.065 10.128 -0.706 641 HD13 LEU 87 3HD1 LEU 87 4.480 9.271 -1.317 642 HD21 LEU 87 3HD2 LEU 87 3.060 7.139 -1.493 643 HD22 LEU 87 1HD2 LEU 87 1.700 8.104 -0.920 644 HD23 LEU 87 2HD2 LEU 87 2.150 6.623 -0.071 645 H SER 88 H SER 88 4.185 9.810 3.013 646 HA SER 88 HA SER 88 6.537 11.459 2.444 647 HG SER 88 HG SER 88 5.122 12.124 0.699 648 HB2 SER 88 2HB SER 88 3.702 12.267 3.151 649 HB3 SER 88 1HB SER 88 5.018 13.370 2.778 650 H SER 89 H SER 89 7.556 10.312 4.243 651 HA SER 89 HA SER 89 6.464 10.338 6.855 652 HG SER 89 HG SER 89 7.135 8.345 5.652 653 HB2 SER 89 2HB SER 89 9.365 9.956 6.096 654 HB3 SER 89 1HB SER 89 8.543 9.341 7.530 655 H ARG 90 H ARG 90 8.617 12.476 5.114 656 HA ARG 90 HA ARG 90 9.838 14.310 5.676 657 HE ARG 90 HE ARG 90 4.879 16.278 4.881 658 HB2 ARG 90 2HB ARG 90 7.638 14.741 7.708 659 HB3 ARG 90 1HB ARG 90 8.785 15.953 7.161 660 HG2 ARG 90 2HG ARG 90 7.841 15.633 4.846 661 HG3 ARG 90 1HG ARG 90 6.565 14.669 5.596 662 HD2 ARG 90 2HD ARG 90 6.113 16.635 7.100 663 HD3 ARG 90 1HD ARG 90 7.223 17.567 6.097 664 HH11 ARG 90 1HH1 ARG 90 6.679 19.177 5.693 665 HH12 ARG 90 2HH1 ARG 90 5.621 20.227 4.804 666 HH21 ARG 90 2HH2 ARG 90 3.830 19.382 3.677 667 HH22 ARG 90 1HH2 ARG 90 3.500 17.674 3.688 668 HA PRO 91 HA PRO 91 11.796 12.285 9.311 669 HB2 PRO 91 1HB PRO 91 12.832 10.811 7.851 670 HB3 PRO 91 2HB PRO 91 14.207 11.859 8.226 671 HG2 PRO 91 2HG PRO 91 14.013 13.034 6.237 672 HG3 PRO 91 1HG PRO 91 13.424 11.451 5.700 673 HD2 PRO 91 2HD PRO 91 11.984 13.798 5.523 674 HD3 PRO 91 1HD PRO 91 11.266 12.174 5.561 675 H LYS 92 H LYS 92 14.300 12.798 10.048 676 HA LYS 92 HA LYS 92 14.289 15.572 10.713 677 HB2 LYS 92 2HB LYS 92 15.170 13.746 12.190 678 HB3 LYS 92 1HB LYS 92 16.539 13.591 11.100 679 HG2 LYS 92 2HG LYS 92 17.209 15.879 11.581 680 HG3 LYS 92 1HG LYS 92 15.812 16.077 12.640 681 HD2 LYS 92 2HD LYS 92 18.058 14.098 13.034 682 HD3 LYS 92 1HD LYS 92 17.860 15.617 13.908 683 HE2 LYS 92 2HE LYS 92 15.900 13.322 13.934 684 HE3 LYS 92 1HE LYS 92 17.076 13.668 15.201 685 HZ1 LYS 92 3HZ LYS 92 15.994 15.797 15.578 686 HZ2 LYS 92 1HZ LYS 92 14.888 14.524 15.762 687 HZ3 LYS 92 2HZ LYS 92 14.862 15.470 14.354 688 H LEU 93 H LEU 93 14.277 16.488 8.634 689 HA LEU 93 HA LEU 93 16.961 16.961 7.586 690 HG LEU 93 HG LEU 93 17.459 16.933 5.162 691 HB2 LEU 93 2HB LEU 93 15.849 15.147 6.230 692 HB3 LEU 93 1HB LEU 93 14.601 16.299 5.808 693 HD11 LEU 93 1HD1 LEU 93 15.626 15.179 3.533 694 HD12 LEU 93 2HD1 LEU 93 17.106 14.663 4.340 695 HD13 LEU 93 3HD1 LEU 93 17.184 15.814 3.004 696 HD21 LEU 93 3HD2 LEU 93 16.420 18.127 3.303 697 HD22 LEU 93 1HD2 LEU 93 15.741 18.654 4.843 698 HD23 LEU 93 2HD2 LEU 93 14.833 17.551 3.809 699 H HIS 94 H HIS 94 17.216 19.079 6.878 700 HA HIS 94 HA HIS 94 15.444 20.925 8.076 701 HD1 HIS 94 1HD HIS 94 17.192 23.867 5.338 702 HD2 HIS 94 2HD HIS 94 16.392 23.317 9.387 703 HE1 HIS 94 1HE HIS 94 16.634 26.149 6.242 704 HE2 HIS 94 2HE HIS 94 16.002 25.771 8.652 705 HB2 HIS 94 2HB HIS 94 17.891 21.305 7.786 706 HB3 HIS 94 1HB HIS 94 17.615 21.532 6.062 707 H ALA 95 H ALA 95 13.462 21.182 7.347 708 HA ALA 95 HA ALA 95 13.111 22.212 4.644 709 HB1 ALA 95 3HB ALA 95 12.693 19.799 4.442 710 HB2 ALA 95 1HB ALA 95 11.224 20.740 4.176 711 HB3 ALA 95 2HB ALA 95 11.475 19.911 5.712 712 H VAL 96 H VAL 96 11.603 23.808 4.571 713 HA VAL 96 HA VAL 96 10.461 24.598 7.136 714 HB VAL 96 HB VAL 96 10.516 26.127 4.530 715 HG11 VAL 96 1HG1 VAL 96 9.882 27.022 7.337 716 HG12 VAL 96 2HG1 VAL 96 8.742 26.877 5.999 717 HG13 VAL 96 3HG1 VAL 96 10.029 28.080 5.933 718 HG21 VAL 96 3HG2 VAL 96 12.346 27.415 5.537 719 HG22 VAL 96 1HG2 VAL 96 12.775 25.719 5.323 720 HG23 VAL 96 2HG2 VAL 96 12.344 26.324 6.922 721 HA MET 1 HA MET 1 -16.607 -16.232 -8.756 722 H1 MET 1 1H MET 1 -14.288 -16.446 -9.188 723 H2 MET 1 2H MET 1 -15.142 -17.476 -10.233 724 H3 MET 1 3H MET 1 -14.327 -18.113 -8.891 725 HB2 MET 1 2HB MET 1 -17.896 -18.184 -7.935 726 HB3 MET 1 1HB MET 1 -17.373 -18.364 -9.603 727 HG2 MET 1 2HG MET 1 -15.491 -19.766 -8.804 728 HG3 MET 1 1HG MET 1 -16.168 -19.671 -7.177 729 HE1 MET 1 3HE MET 1 -16.938 -23.358 -8.341 730 HE2 MET 1 1HE MET 1 -16.132 -22.355 -7.136 731 HE3 MET 1 2HE MET 1 -15.526 -22.400 -8.790 732 H GLY 2 H GLY 2 -17.213 -15.610 -6.727 733 HA2 GLY 2 2HA GLY 2 -16.981 -16.224 -4.271 734 HA3 GLY 2 1HA GLY 2 -15.254 -16.224 -4.598 735 H SER 3 H SER 3 -17.756 -13.995 -5.750 736 HA SER 3 HA SER 3 -16.072 -11.769 -5.009 737 HG SER 3 HG SER 3 -19.305 -11.815 -7.464 738 HB2 SER 3 2HB SER 3 -17.910 -10.430 -6.128 739 HB3 SER 3 1HB SER 3 -17.098 -11.609 -7.156 740 H SER 4 H SER 4 -16.206 -12.064 -2.692 741 HA SER 4 HA SER 4 -18.710 -11.667 -1.346 742 HG SER 4 HG SER 4 -17.468 -13.675 -0.922 743 HB2 SER 4 2HB SER 4 -15.920 -11.439 -0.201 744 HB3 SER 4 1HB SER 4 -17.414 -11.767 0.680 745 H HIS 5 H HIS 5 -19.697 -9.741 -1.427 746 HA HIS 5 HA HIS 5 -18.048 -7.337 -0.993 747 HD1 HIS 5 1HD HIS 5 -19.761 -8.121 -5.218 748 HD2 HIS 5 2HD HIS 5 -16.519 -6.711 -3.018 749 HE1 HIS 5 1HE HIS 5 -17.776 -8.245 -6.767 750 HE2 HIS 5 2HE HIS 5 -15.803 -7.532 -5.368 751 HB2 HIS 5 2HB HIS 5 -20.384 -7.593 -2.901 752 HB3 HIS 5 1HB HIS 5 -19.592 -6.080 -2.486 753 H HIS 6 H HIS 6 -18.575 -6.684 1.003 754 HA HIS 6 HA HIS 6 -21.439 -6.242 1.495 755 HD1 HIS 6 1HD HIS 6 -19.744 -5.284 5.445 756 HD2 HIS 6 2HD HIS 6 -17.561 -7.960 3.125 757 HE1 HIS 6 1HE HIS 6 -17.427 -5.290 6.413 758 HE2 HIS 6 2HE HIS 6 -16.229 -7.137 5.186 759 HB2 HIS 6 2HB HIS 6 -21.175 -6.583 3.849 760 HB3 HIS 6 1HB HIS 6 -20.450 -7.967 3.048 761 H HIS 7 H HIS 7 -21.982 -4.258 2.523 762 HA HIS 7 HA HIS 7 -20.232 -2.179 1.532 763 HD1 HIS 7 1HD HIS 7 -22.120 -0.346 -0.363 764 HD2 HIS 7 2HD HIS 7 -24.003 -3.822 0.926 765 HE1 HIS 7 1HE HIS 7 -23.353 -1.233 -2.367 766 HE2 HIS 7 2HE HIS 7 -24.541 -3.304 -1.553 767 HB2 HIS 7 2HB HIS 7 -22.954 -2.026 2.841 768 HB3 HIS 7 1HB HIS 7 -22.087 -0.646 2.174 769 H HIS 8 H HIS 8 -19.975 -0.162 2.899 770 HA HIS 8 HA HIS 8 -19.751 -0.600 5.739 771 HD1 HIS 8 1HD HIS 8 -17.409 -1.661 2.381 772 HD2 HIS 8 2HD HIS 8 -15.834 1.640 4.349 773 HE1 HIS 8 1HE HIS 8 -15.830 -0.594 0.746 774 HE2 HIS 8 2HE HIS 8 -15.023 1.502 1.896 775 HB2 HIS 8 2HB HIS 8 -17.314 -0.120 5.836 776 HB3 HIS 8 1HB HIS 8 -17.678 -1.647 5.050 777 H HIS 9 H HIS 9 -20.753 1.179 6.396 778 HA HIS 9 HA HIS 9 -20.133 3.699 5.004 779 HD1 HIS 9 1HD HIS 9 -24.137 5.076 6.828 780 HD2 HIS 9 2HD HIS 9 -21.195 5.592 3.937 781 HE1 HIS 9 1HE HIS 9 -24.421 7.430 5.984 782 HE2 HIS 9 2HE HIS 9 -22.509 7.775 4.371 783 HB2 HIS 9 2HB HIS 9 -22.513 2.805 4.994 784 HB3 HIS 9 1HB HIS 9 -22.556 3.145 6.720 785 H HIS 10 H HIS 10 -18.931 2.216 7.487 786 HA HIS 10 HA HIS 10 -18.851 4.638 9.155 787 HD1 HIS 10 1HD HIS 10 -21.323 1.269 10.514 788 HD2 HIS 10 2HD HIS 10 -20.371 5.252 11.258 789 HE1 HIS 10 1HE HIS 10 -23.442 2.332 11.366 790 HE2 HIS 10 2HE HIS 10 -22.879 4.775 11.665 791 HB2 HIS 10 2HB HIS 10 -18.963 1.757 10.017 792 HB3 HIS 10 1HB HIS 10 -18.309 3.005 11.070 793 H SER 11 H SER 11 -16.972 5.587 8.909 794 HA SER 11 HA SER 11 -14.527 4.035 9.237 795 HG SER 11 HG SER 11 -12.902 5.353 6.318 796 HB2 SER 11 2HB SER 11 -14.983 4.083 6.772 797 HB3 SER 11 1HB SER 11 -14.929 5.843 6.835 798 H SER 12 H SER 12 -13.361 5.098 10.716 799 HA SER 12 HA SER 12 -13.266 8.006 10.671 800 HG SER 12 HG SER 12 -14.322 8.514 14.058 801 HB2 SER 12 2HB SER 12 -15.199 7.409 12.131 802 HB3 SER 12 1HB SER 12 -14.099 6.501 13.165 803 H GLY 13 H GLY 13 -11.108 7.580 10.033 804 HA2 GLY 13 2HA GLY 13 -9.375 6.747 12.276 805 HA3 GLY 13 1HA GLY 13 -9.007 6.353 10.602 806 H ARG 14 H ARG 14 -10.001 9.285 12.341 807 HA ARG 14 HA ARG 14 -8.419 10.957 10.650 808 HE ARG 14 HE ARG 14 -6.995 13.039 10.641 809 HB2 ARG 14 2HB ARG 14 -10.534 11.725 11.597 810 HB3 ARG 14 1HB ARG 14 -9.891 11.551 13.221 811 HG2 ARG 14 2HG ARG 14 -9.879 13.862 12.658 812 HG3 ARG 14 1HG ARG 14 -8.207 13.304 12.676 813 HD2 ARG 14 2HD ARG 14 -9.849 13.482 10.161 814 HD3 ARG 14 1HD ARG 14 -8.877 14.823 10.760 815 HH11 ARG 14 1HH1 ARG 14 -9.668 13.375 8.397 816 HH12 ARG 14 2HH1 ARG 14 -8.751 12.782 7.034 817 HH21 ARG 14 2HH2 ARG 14 -6.574 12.170 7.282 818 HH22 ARG 14 1HH2 ARG 14 -5.804 12.261 8.833 819 H GLU 15 H GLU 15 -7.911 9.374 13.678 820 HA GLU 15 HA GLU 15 -5.668 11.132 14.318 821 HB2 GLU 15 2HB GLU 15 -7.455 10.713 16.007 822 HB3 GLU 15 1HB GLU 15 -6.962 9.027 16.041 823 HG2 GLU 15 2HG GLU 15 -4.941 9.506 17.077 824 HG3 GLU 15 1HG GLU 15 -4.998 11.208 16.615 825 H ASN 16 H ASN 16 -3.904 10.495 13.316 826 HA ASN 16 HA ASN 16 -2.833 7.836 13.876 827 HB2 ASN 16 2HB ASN 16 -3.955 7.679 11.660 828 HB3 ASN 16 1HB ASN 16 -2.967 9.012 11.081 829 HD21 ASN 16 2HD2 ASN 16 -1.632 5.578 10.170 830 HD22 ASN 16 1HD2 ASN 16 -3.223 6.246 10.153 831 H LEU 17 H LEU 17 -0.859 8.186 14.734 832 HA LEU 17 HA LEU 17 0.667 10.495 13.757 833 HG LEU 17 HG LEU 17 -0.506 12.148 15.076 834 HB2 LEU 17 2HB LEU 17 0.255 9.713 16.643 835 HB3 LEU 17 1HB LEU 17 1.501 10.826 16.115 836 HD11 LEU 17 1HD1 LEU 17 -1.887 10.565 17.237 837 HD12 LEU 17 2HD1 LEU 17 -2.209 10.464 15.505 838 HD13 LEU 17 3HD1 LEU 17 -2.558 11.954 16.381 839 HD21 LEU 17 3HD2 LEU 17 -0.003 12.083 18.046 840 HD22 LEU 17 1HD2 LEU 17 -0.709 13.419 17.138 841 HD23 LEU 17 2HD2 LEU 17 0.967 12.947 16.855 842 H TYR 18 H TYR 18 1.469 8.486 12.526 843 HA TYR 18 HA TYR 18 3.379 7.441 11.914 844 HD1 TYR 18 1HD TYR 18 5.812 8.435 10.961 845 HD2 TYR 18 2HD TYR 18 6.300 7.304 15.033 846 HE1 TYR 18 1HE TYR 18 8.037 7.529 10.436 847 HE2 TYR 18 2HE TYR 18 8.525 6.395 14.519 848 HH TYR 18 HH TYR 18 9.782 5.559 12.598 849 HB2 TYR 18 2HB TYR 18 4.446 9.447 12.826 850 HB3 TYR 18 1HB TYR 18 4.496 8.703 14.414 851 H PHE 19 H PHE 19 4.375 5.475 12.124 852 HA PHE 19 HA PHE 19 3.283 3.655 14.015 853 HD1 PHE 19 1HD PHE 19 2.062 2.109 12.654 854 HD2 PHE 19 2HD PHE 19 4.969 3.501 9.884 855 HE1 PHE 19 1HE PHE 19 0.431 1.867 10.826 856 HE2 PHE 19 2HE PHE 19 3.351 3.265 8.052 857 HZ PHE 19 HZ PHE 19 1.075 2.448 8.520 858 HB2 PHE 19 2HB PHE 19 5.561 3.269 12.066 859 HB3 PHE 19 1HB PHE 19 4.753 1.986 12.955 860 H GLN 20 H GLN 20 3.945 4.631 16.006 861 HA GLN 20 HA GLN 20 6.349 3.318 16.958 862 HB2 GLN 20 2HB GLN 20 6.648 5.936 16.273 863 HB3 GLN 20 1HB GLN 20 6.119 6.104 17.940 864 HG2 GLN 20 2HG GLN 20 8.498 4.533 16.971 865 HG3 GLN 20 1HG GLN 20 8.534 6.087 17.800 866 HE21 GLN 20 2HE2 GLN 20 8.089 2.623 19.855 867 HE22 GLN 20 1HE2 GLN 20 8.039 2.667 18.130 868 H GLY 21 H GLY 21 4.079 5.828 18.088 869 HA2 GLY 21 2HA GLY 21 3.249 4.052 20.275 870 HA3 GLY 21 1HA GLY 21 2.873 5.768 20.136 871 H MET 22 H MET 22 2.622 3.456 17.569 872 HA MET 22 HA MET 22 -0.017 4.330 16.898 873 HB2 MET 22 2HB MET 22 1.803 3.775 15.258 874 HB3 MET 22 1HB MET 22 1.634 2.091 15.720 875 HG2 MET 22 2HG MET 22 0.493 2.440 13.676 876 HG3 MET 22 1HG MET 22 -0.705 2.163 14.939 877 HE1 MET 22 3HE MET 22 -1.899 4.813 12.074 878 HE2 MET 22 1HE MET 22 -2.029 3.123 12.563 879 HE3 MET 22 2HE MET 22 -0.526 3.726 11.862 880 H THR 23 H THR 23 1.333 1.121 17.585 881 HA THR 23 HA THR 23 0.566 -0.527 18.930 882 HB THR 23 HB THR 23 -1.210 1.722 19.828 883 HG1 THR 23 1HG THR 23 0.320 1.989 21.280 884 HG21 THR 23 3HG2 THR 23 -1.905 0.348 21.712 885 HG22 THR 23 1HG2 THR 23 -1.095 -1.048 21.001 886 HG23 THR 23 2HG2 THR 23 -2.470 -0.308 20.178 887 H ASP 24 H ASP 24 -2.534 1.091 18.064 888 HA ASP 24 HA ASP 24 -3.538 -1.607 17.422 889 HB2 ASP 24 2HB ASP 24 -4.551 -0.460 19.380 890 HB3 ASP 24 1HB ASP 24 -5.098 0.826 18.313 891 H THR 25 H THR 25 -3.745 1.785 16.424 892 HA THR 25 HA THR 25 -5.657 1.543 14.436 893 HB THR 25 HB THR 25 -3.337 3.474 14.358 894 HG1 THR 25 1HG THR 25 -4.738 4.791 15.666 895 HG21 THR 25 3HG2 THR 25 -4.781 3.478 12.367 896 HG22 THR 25 1HG2 THR 25 -4.952 4.971 13.293 897 HG23 THR 25 2HG2 THR 25 -6.194 3.721 13.395 898 H ALA 26 H ALA 26 -2.263 0.765 14.309 899 HA ALA 26 HA ALA 26 -1.715 1.037 11.599 900 HB1 ALA 26 3HB ALA 26 -0.015 0.668 13.326 901 HB2 ALA 26 1HB ALA 26 0.161 -0.448 11.972 902 HB3 ALA 26 2HB ALA 26 -0.552 -1.003 13.486 903 H ALA 27 H ALA 27 -3.464 -1.500 13.234 904 HA ALA 27 HA ALA 27 -3.211 -3.388 11.097 905 HB1 ALA 27 3HB ALA 27 -5.165 -3.331 13.393 906 HB2 ALA 27 1HB ALA 27 -3.592 -4.128 13.395 907 HB3 ALA 27 2HB ALA 27 -4.869 -4.701 12.322 908 H GLU 28 H GLU 28 -5.313 -0.763 11.842 909 HA GLU 28 HA GLU 28 -7.434 -1.693 10.092 910 HB2 GLU 28 2HB GLU 28 -7.673 -0.442 12.357 911 HB3 GLU 28 1HB GLU 28 -7.325 1.001 11.420 912 HG2 GLU 28 2HG GLU 28 -9.530 -0.864 10.637 913 HG3 GLU 28 1HG GLU 28 -9.767 0.382 11.858 914 H ASP 29 H ASP 29 -5.053 0.958 10.207 915 HA ASP 29 HA ASP 29 -6.195 2.188 7.859 916 HB2 ASP 29 2HB ASP 29 -4.549 3.922 8.125 917 HB3 ASP 29 1HB ASP 29 -5.195 3.526 9.712 918 H VAL 30 H VAL 30 -3.233 0.385 8.585 919 HA VAL 30 HA VAL 30 -2.149 0.535 5.982 920 HB VAL 30 HB VAL 30 -1.736 -1.568 8.115 921 HG11 VAL 30 1HG1 VAL 30 0.315 -2.149 6.915 922 HG12 VAL 30 2HG1 VAL 30 -0.102 -1.001 5.642 923 HG13 VAL 30 3HG1 VAL 30 -1.109 -2.424 5.910 924 HG21 VAL 30 3HG2 VAL 30 -1.097 0.665 8.835 925 HG22 VAL 30 1HG2 VAL 30 -0.122 0.870 7.379 926 HG23 VAL 30 2HG2 VAL 30 0.332 -0.336 8.583 927 H ARG 31 H ARG 31 -4.578 -1.546 7.419 928 HA ARG 31 HA ARG 31 -4.563 -3.480 5.332 929 HE ARG 31 HE ARG 31 -8.276 -6.647 5.486 930 HB2 ARG 31 2HB ARG 31 -5.538 -3.903 7.586 931 HB3 ARG 31 1HB ARG 31 -6.852 -2.803 7.187 932 HG2 ARG 31 2HG ARG 31 -7.566 -4.230 5.386 933 HG3 ARG 31 1HG ARG 31 -6.182 -5.290 5.638 934 HD2 ARG 31 2HD ARG 31 -7.035 -5.802 7.901 935 HD3 ARG 31 1HD ARG 31 -8.461 -4.821 7.554 936 HH11 ARG 31 1HH1 ARG 31 -8.649 -6.802 8.968 937 HH12 ARG 31 2HH1 ARG 31 -9.550 -8.282 8.933 938 HH21 ARG 31 2HH2 ARG 31 -9.983 -9.329 6.932 939 HH22 ARG 31 1HH2 ARG 31 -9.461 -8.599 5.437 940 H LYS 32 H LYS 32 -6.119 -0.380 5.777 941 HA LYS 32 HA LYS 32 -8.110 -0.533 3.838 942 HB2 LYS 32 2HB LYS 32 -6.511 1.722 4.966 943 HB3 LYS 32 1HB LYS 32 -7.524 2.023 3.565 944 HG2 LYS 32 2HG LYS 32 -9.408 0.960 4.971 945 HG3 LYS 32 1HG LYS 32 -8.330 1.246 6.340 946 HD2 LYS 32 2HD LYS 32 -8.265 3.605 5.873 947 HD3 LYS 32 1HD LYS 32 -9.164 3.376 4.375 948 HE2 LYS 32 2HE LYS 32 -10.726 4.199 5.933 949 HE3 LYS 32 1HE LYS 32 -11.052 2.472 5.807 950 HZ1 LYS 32 3HZ LYS 32 -11.051 3.317 8.102 951 HZ2 LYS 32 1HZ LYS 32 -9.414 3.719 7.945 952 HZ3 LYS 32 2HZ LYS 32 -9.903 2.095 7.861 953 H ILE 33 H ILE 33 -4.719 0.512 3.448 954 HA ILE 33 HA ILE 33 -5.021 1.003 0.659 955 HB ILE 33 HB ILE 33 -2.573 1.200 0.581 956 HG12 ILE 33 2HG1 ILE 33 -2.670 0.446 3.509 957 HG13 ILE 33 1HG1 ILE 33 -2.021 -0.561 2.221 958 HG21 ILE 33 1HG2 ILE 33 -3.899 2.600 2.893 959 HG22 ILE 33 2HG2 ILE 33 -3.877 3.126 1.209 960 HG23 ILE 33 3HG2 ILE 33 -2.382 3.098 2.146 961 HD11 ILE 33 3HD1 ILE 33 -0.244 0.531 3.447 962 HD12 ILE 33 1HD1 ILE 33 -0.946 2.110 3.098 963 HD13 ILE 33 2HD1 ILE 33 -0.298 1.125 1.787 964 H ALA 34 H ALA 34 -4.020 -1.761 2.550 965 HA ALA 34 HA ALA 34 -2.952 -3.273 0.402 966 HB1 ALA 34 3HB ALA 34 -4.071 -4.214 3.037 967 HB2 ALA 34 1HB ALA 34 -2.401 -3.737 2.730 968 HB3 ALA 34 2HB ALA 34 -3.069 -5.163 1.937 969 H THR 35 H THR 35 -6.176 -2.855 1.701 970 HA THR 35 HA THR 35 -7.317 -5.084 0.343 971 HB THR 35 HB THR 35 -8.707 -2.650 1.489 972 HG1 THR 35 1HG THR 35 -7.631 -3.706 3.135 973 HG21 THR 35 3HG2 THR 35 -10.675 -4.133 1.615 974 HG22 THR 35 1HG2 THR 35 -9.767 -5.388 0.772 975 HG23 THR 35 2HG2 THR 35 -10.150 -3.874 -0.048 976 H ALA 36 H ALA 36 -6.756 -1.736 -0.478 977 HA ALA 36 HA ALA 36 -8.475 -1.519 -2.686 978 HB1 ALA 36 3HB ALA 36 -7.323 0.396 -1.687 979 HB2 ALA 36 1HB ALA 36 -7.032 0.302 -3.423 980 HB3 ALA 36 2HB ALA 36 -5.783 -0.214 -2.290 981 H LEU 37 H LEU 37 -5.448 -3.139 -2.258 982 HA LEU 37 HA LEU 37 -4.759 -3.452 -5.002 983 HG LEU 37 HG LEU 37 -3.543 -3.030 -1.927 984 HB2 LEU 37 2HB LEU 37 -3.961 -5.296 -2.766 985 HB3 LEU 37 1HB LEU 37 -3.072 -4.925 -4.227 986 HD11 LEU 37 1HD1 LEU 37 -1.053 -4.487 -2.818 987 HD12 LEU 37 2HD1 LEU 37 -1.978 -4.795 -1.348 988 HD13 LEU 37 3HD1 LEU 37 -1.130 -3.261 -1.551 989 HD21 LEU 37 3HD2 LEU 37 -3.420 -1.851 -4.052 990 HD22 LEU 37 1HD2 LEU 37 -1.922 -2.691 -4.449 991 HD23 LEU 37 2HD2 LEU 37 -1.966 -1.563 -3.095 992 H LEU 38 H LEU 38 -6.858 -5.092 -2.796 993 HA LEU 38 HA LEU 38 -7.124 -7.493 -4.365 994 HG LEU 38 HG LEU 38 -6.468 -6.966 -1.387 995 HB2 LEU 38 2HB LEU 38 -8.801 -6.434 -2.086 996 HB3 LEU 38 1HB LEU 38 -8.927 -8.041 -2.775 997 HD11 LEU 38 1HD1 LEU 38 -8.607 -8.837 -0.382 998 HD12 LEU 38 2HD1 LEU 38 -8.315 -7.190 0.179 999 HD13 LEU 38 3HD1 LEU 38 -7.105 -8.443 0.456 1000 HD21 LEU 38 3HD2 LEU 38 -5.751 -9.301 -1.403 1001 HD22 LEU 38 1HD2 LEU 38 -5.987 -8.692 -3.041 1002 HD23 LEU 38 2HD2 LEU 38 -7.198 -9.744 -2.307 1003 H LYS 39 H LYS 39 -8.763 -4.424 -4.047 1004 HA LYS 39 HA LYS 39 -11.170 -5.244 -5.312 1005 HB2 LYS 39 2HB LYS 39 -11.256 -3.483 -3.720 1006 HB3 LYS 39 1HB LYS 39 -10.003 -2.578 -4.557 1007 HG2 LYS 39 2HG LYS 39 -11.509 -2.173 -6.412 1008 HG3 LYS 39 1HG LYS 39 -12.764 -3.123 -5.612 1009 HD2 LYS 39 2HD LYS 39 -11.489 -0.768 -4.272 1010 HD3 LYS 39 1HD LYS 39 -12.833 -0.580 -5.382 1011 HE2 LYS 39 2HE LYS 39 -12.846 -2.290 -2.904 1012 HE3 LYS 39 1HE LYS 39 -13.569 -0.687 -3.036 1013 HZ1 LYS 39 3HZ LYS 39 -15.282 -2.286 -3.319 1014 HZ2 LYS 39 1HZ LYS 39 -14.392 -3.149 -4.480 1015 HZ3 LYS 39 2HZ LYS 39 -14.986 -1.606 -4.845 1016 H THR 40 H THR 40 -8.320 -3.395 -6.387 1017 HA THR 40 HA THR 40 -8.944 -4.048 -9.135 1018 HB THR 40 HB THR 40 -8.800 -1.131 -8.325 1019 HG1 THR 40 1HG THR 40 -10.917 -2.893 -8.535 1020 HG21 THR 40 3HG2 THR 40 -7.920 -1.567 -10.561 1021 HG22 THR 40 1HG2 THR 40 -9.461 -0.716 -10.657 1022 HG23 THR 40 2HG2 THR 40 -9.389 -2.448 -10.981 1023 H ALA 41 H ALA 41 -7.048 -1.562 -7.445 1024 HA ALA 41 HA ALA 41 -4.847 -1.125 -7.257 1025 HB1 ALA 41 3HB ALA 41 -4.366 -3.922 -8.271 1026 HB2 ALA 41 1HB ALA 41 -4.644 -3.490 -6.583 1027 HB3 ALA 41 2HB ALA 41 -3.215 -2.889 -7.424 1028 H ILE 42 H ILE 42 -5.049 -3.172 -10.176 1029 HA ILE 42 HA ILE 42 -3.524 -1.076 -11.587 1030 HB ILE 42 HB ILE 42 -3.340 -3.378 -13.133 1031 HG12 ILE 42 2HG1 ILE 42 -2.216 -4.942 -11.440 1032 HG13 ILE 42 1HG1 ILE 42 -3.081 -4.036 -10.207 1033 HG21 ILE 42 1HG2 ILE 42 -1.362 -2.152 -11.231 1034 HG22 ILE 42 2HG2 ILE 42 -1.623 -1.716 -12.921 1035 HG23 ILE 42 3HG2 ILE 42 -0.961 -3.299 -12.508 1036 HD11 ILE 42 3HD1 ILE 42 -4.327 -5.566 -12.473 1037 HD12 ILE 42 1HD1 ILE 42 -5.205 -4.643 -11.254 1038 HD13 ILE 42 2HD1 ILE 42 -4.268 -6.062 -10.782 1039 H GLU 43 H GLU 43 -3.792 -1.945 -14.159 1040 HA GLU 43 HA GLU 43 -6.660 -1.474 -14.647 1041 HB2 GLU 43 2HB GLU 43 -5.272 0.501 -15.141 1042 HB3 GLU 43 1HB GLU 43 -4.290 -0.459 -16.238 1043 HG2 GLU 43 2HG GLU 43 -5.853 0.912 -17.470 1044 HG3 GLU 43 1HG GLU 43 -6.238 -0.795 -17.681 1045 H ILE 44 H ILE 44 -7.501 -2.322 -16.655 1046 HA ILE 44 HA ILE 44 -6.072 -4.759 -17.472 1047 HB ILE 44 HB ILE 44 -8.188 -5.303 -16.479 1048 HG12 ILE 44 2HG1 ILE 44 -8.485 -5.495 -19.482 1049 HG13 ILE 44 1HG1 ILE 44 -7.487 -6.568 -18.504 1050 HG21 ILE 44 1HG2 ILE 44 -10.322 -4.461 -17.350 1051 HG22 ILE 44 2HG2 ILE 44 -9.442 -3.394 -18.444 1052 HG23 ILE 44 3HG2 ILE 44 -9.311 -3.171 -16.699 1053 HD11 ILE 44 3HD1 ILE 44 -9.614 -7.595 -19.053 1054 HD12 ILE 44 1HD1 ILE 44 -10.474 -6.250 -18.301 1055 HD13 ILE 44 2HD1 ILE 44 -9.482 -7.327 -17.315 1056 H VAL 45 H VAL 45 -5.257 -4.824 -19.447 1057 HA VAL 45 HA VAL 45 -6.007 -2.751 -21.364 1058 HB VAL 45 HB VAL 45 -4.065 -3.510 -22.679 1059 HG11 VAL 45 1HG1 VAL 45 -3.757 -1.755 -21.031 1060 HG12 VAL 45 2HG1 VAL 45 -2.315 -2.766 -21.124 1061 HG13 VAL 45 3HG1 VAL 45 -3.442 -2.956 -19.780 1062 HG21 VAL 45 3HG2 VAL 45 -3.588 -5.436 -20.406 1063 HG22 VAL 45 1HG2 VAL 45 -2.499 -5.147 -21.764 1064 HG23 VAL 45 2HG2 VAL 45 -4.084 -5.870 -22.040 1065 H SER 46 H SER 46 -6.399 -3.388 -23.635 1066 HA SER 46 HA SER 46 -7.555 -6.076 -23.831 1067 HG SER 46 HG SER 46 -9.069 -2.801 -25.217 1068 HB2 SER 46 2HB SER 46 -9.466 -4.891 -25.131 1069 HB3 SER 46 1HB SER 46 -9.481 -4.837 -23.368 1070 H GLU 47 H GLU 47 -7.548 -7.001 -25.865 1071 HA GLU 47 HA GLU 47 -5.691 -6.013 -27.782 1072 HB2 GLU 47 2HB GLU 47 -7.859 -8.104 -28.093 1073 HB3 GLU 47 1HB GLU 47 -6.550 -7.824 -29.232 1074 HG2 GLU 47 2HG GLU 47 -6.272 -8.779 -26.391 1075 HG3 GLU 47 1HG GLU 47 -6.106 -9.755 -27.849 1076 H GLU 48 H GLU 48 -6.447 -5.735 -30.170 1077 HA GLU 48 HA GLU 48 -8.204 -3.519 -30.287 1078 HB2 GLU 48 2HB GLU 48 -6.363 -4.124 -31.954 1079 HB3 GLU 48 1HB GLU 48 -7.500 -5.287 -32.629 1080 HG2 GLU 48 2HG GLU 48 -7.526 -3.217 -33.890 1081 HG3 GLU 48 1HG GLU 48 -9.076 -3.491 -33.097 1082 H ASP 49 H ASP 49 -8.539 -6.857 -31.363 1083 HA ASP 49 HA ASP 49 -11.187 -6.948 -30.261 1084 HB2 ASP 49 2HB ASP 49 -11.559 -6.085 -32.579 1085 HB3 ASP 49 1HB ASP 49 -10.879 -7.586 -33.196 1086 H GLY 50 H GLY 50 -10.737 -8.554 -28.987 1087 HA2 GLY 50 2HA GLY 50 -10.477 -11.202 -29.931 1088 HA3 GLY 50 1HA GLY 50 -8.898 -10.613 -29.428 1089 H GLY 51 H GLY 51 -8.809 -9.659 -27.197 1090 HA2 GLY 51 2HA GLY 51 -10.827 -10.369 -25.316 1091 HA3 GLY 51 1HA GLY 51 -9.487 -11.505 -25.288 1092 H ALA 52 H ALA 52 -10.523 -9.405 -23.398 1093 HA ALA 52 HA ALA 52 -8.387 -7.510 -23.133 1094 HB1 ALA 52 3HB ALA 52 -9.497 -6.836 -21.090 1095 HB2 ALA 52 1HB ALA 52 -10.531 -8.263 -21.147 1096 HB3 ALA 52 2HB ALA 52 -10.680 -7.016 -22.386 1097 H HIS 53 H HIS 53 -6.891 -7.396 -21.407 1098 HA HIS 53 HA HIS 53 -6.348 -9.908 -19.978 1099 HD1 HIS 53 1HD HIS 53 -4.509 -12.062 -21.130 1100 HD2 HIS 53 2HD HIS 53 -5.297 -9.249 -24.086 1101 HE1 HIS 53 1HE HIS 53 -4.970 -13.381 -23.211 1102 HE2 HIS 53 2HE HIS 53 -5.113 -11.649 -25.040 1103 HB2 HIS 53 2HB HIS 53 -4.344 -8.358 -21.636 1104 HB3 HIS 53 1HB HIS 53 -3.910 -9.620 -20.487 1105 H ASN 54 H ASN 54 -6.057 -9.472 -17.865 1106 HA ASN 54 HA ASN 54 -5.609 -6.739 -17.002 1107 HB2 ASN 54 2HB ASN 54 -7.126 -8.209 -15.720 1108 HB3 ASN 54 1HB ASN 54 -5.783 -9.296 -15.382 1109 HD21 ASN 54 2HD2 ASN 54 -6.269 -5.860 -13.283 1110 HD22 ASN 54 1HD2 ASN 54 -7.226 -6.214 -14.676 1111 H GLN 55 H GLN 55 -3.729 -5.960 -15.994 1112 HA GLN 55 HA GLN 55 -1.390 -7.712 -16.243 1113 HB2 GLN 55 2HB GLN 55 -1.591 -6.400 -18.320 1114 HB3 GLN 55 1HB GLN 55 -1.577 -4.916 -17.377 1115 HG2 GLN 55 2HG GLN 55 0.685 -5.550 -16.546 1116 HG3 GLN 55 1HG GLN 55 0.657 -6.905 -17.676 1117 HE21 GLN 55 2HE2 GLN 55 0.356 -4.255 -20.384 1118 HE22 GLN 55 1HE2 GLN 55 -0.809 -5.331 -19.686 1119 H CYS 56 H CYS 56 -0.404 -7.750 -14.347 1120 HA CYS 56 HA CYS 56 -0.343 -5.362 -12.670 1121 HG CYS 56 HG CYS 56 0.320 -6.710 -9.374 1122 HB2 CYS 56 2HB CYS 56 -0.698 -7.536 -11.565 1123 HB3 CYS 56 1HB CYS 56 0.830 -8.118 -12.213 1124 H LYS 57 H LYS 57 1.055 -3.890 -13.402 1125 HA LYS 57 HA LYS 57 3.182 -4.624 -15.165 1126 HB2 LYS 57 2HB LYS 57 2.542 -1.909 -14.010 1127 HB3 LYS 57 1HB LYS 57 3.514 -2.243 -15.439 1128 HG2 LYS 57 2HG LYS 57 1.534 -3.212 -16.535 1129 HG3 LYS 57 1HG LYS 57 0.571 -2.796 -15.119 1130 HD2 LYS 57 2HD LYS 57 0.224 -1.115 -16.779 1131 HD3 LYS 57 1HD LYS 57 1.193 -0.409 -15.485 1132 HE2 LYS 57 2HE LYS 57 3.202 -0.658 -16.797 1133 HE3 LYS 57 1HE LYS 57 2.315 -1.523 -18.052 1134 HZ1 LYS 57 3HZ LYS 57 1.801 1.296 -17.257 1135 HZ2 LYS 57 1HZ LYS 57 1.069 0.459 -18.538 1136 HZ3 LYS 57 2HZ LYS 57 2.724 0.827 -18.600 1137 H LEU 58 H LEU 58 3.239 -5.135 -12.066 1138 HA LEU 58 HA LEU 58 5.861 -3.977 -11.516 1139 HG LEU 58 HG LEU 58 5.163 -2.792 -9.479 1140 HB2 LEU 58 2HB LEU 58 3.897 -5.508 -9.828 1141 HB3 LEU 58 1HB LEU 58 5.551 -5.267 -9.304 1142 HD11 LEU 58 1HD1 LEU 58 2.286 -3.637 -9.791 1143 HD12 LEU 58 2HD1 LEU 58 3.264 -2.808 -11.002 1144 HD13 LEU 58 3HD1 LEU 58 2.851 -1.994 -9.492 1145 HD21 LEU 58 3HD2 LEU 58 3.396 -4.338 -7.586 1146 HD22 LEU 58 1HD2 LEU 58 3.905 -2.662 -7.383 1147 HD23 LEU 58 2HD2 LEU 58 5.101 -3.957 -7.344 1148 H CYS 59 H CYS 59 4.474 -7.229 -11.071 1149 HA CYS 59 HA CYS 59 7.083 -8.418 -11.503 1150 HG CYS 59 HG CYS 59 3.267 -10.856 -10.813 1151 HB2 CYS 59 2HB CYS 59 5.803 -10.559 -11.016 1152 HB3 CYS 59 1HB CYS 59 5.849 -9.374 -9.716 1153 H GLY 60 H GLY 60 4.512 -7.494 -13.433 1154 HA2 GLY 60 2HA GLY 60 4.272 -7.769 -15.731 1155 HA3 GLY 60 1HA GLY 60 5.546 -8.981 -15.690 1156 H ALA 61 H ALA 61 2.643 -8.935 -13.725 1157 HA ALA 61 HA ALA 61 2.065 -11.657 -14.524 1158 HB1 ALA 61 3HB ALA 61 1.931 -11.016 -12.168 1159 HB2 ALA 61 1HB ALA 61 0.379 -11.591 -12.776 1160 HB3 ALA 61 2HB ALA 61 0.654 -9.863 -12.558 1161 H SER 62 H SER 62 0.533 -12.275 -15.907 1162 HA SER 62 HA SER 62 -1.361 -10.240 -16.847 1163 HG SER 62 HG SER 62 0.801 -12.712 -19.184 1164 HB2 SER 62 2HB SER 62 -1.365 -11.578 -19.003 1165 HB3 SER 62 1HB SER 62 0.130 -10.716 -18.639 1166 H VAL 63 H VAL 63 -3.462 -10.689 -16.689 1167 HA VAL 63 HA VAL 63 -4.265 -13.470 -16.143 1168 HB VAL 63 HB VAL 63 -5.302 -10.975 -14.784 1169 HG11 VAL 63 1HG1 VAL 63 -6.796 -12.485 -13.544 1170 HG12 VAL 63 2HG1 VAL 63 -6.281 -13.821 -14.573 1171 HG13 VAL 63 3HG1 VAL 63 -7.157 -12.459 -15.270 1172 HG21 VAL 63 3HG2 VAL 63 -4.524 -12.077 -12.735 1173 HG22 VAL 63 1HG2 VAL 63 -3.202 -11.800 -13.869 1174 HG23 VAL 63 2HG2 VAL 63 -3.893 -13.413 -13.697 1175 HA PRO 64 HA PRO 64 -6.808 -12.613 -19.758 1176 HB2 PRO 64 1HB PRO 64 -7.208 -14.721 -20.563 1177 HB3 PRO 64 2HB PRO 64 -7.814 -15.305 -19.010 1178 HG2 PRO 64 2HG PRO 64 -5.735 -16.348 -19.068 1179 HG3 PRO 64 1HG PRO 64 -4.987 -15.003 -19.954 1180 HD2 PRO 64 2HD PRO 64 -5.681 -15.203 -17.042 1181 HD3 PRO 64 1HD PRO 64 -4.228 -14.523 -17.809 1182 H TRP 65 H TRP 65 -8.776 -11.734 -19.867 1183 HA TRP 65 HA TRP 65 -10.354 -11.336 -17.560 1184 HD1 TRP 65 HD TRP 65 -13.464 -9.841 -20.707 1185 HE1 TRP 65 1HE TRP 65 -15.147 -8.676 -19.151 1186 HE3 TRP 65 3HE TRP 65 -10.689 -9.782 -16.411 1187 HZ2 TRP 65 2HZ TRP 65 -15.281 -7.841 -16.463 1188 HZ3 TRP 65 3HZ TRP 65 -11.672 -8.780 -14.392 1189 HH2 TRP 65 HH TRP 65 -13.920 -7.829 -14.417 1190 HB2 TRP 65 2HB TRP 65 -10.190 -9.798 -19.544 1191 HB3 TRP 65 1HB TRP 65 -11.177 -10.939 -20.445 1192 H LEU 66 H LEU 66 -12.678 -11.895 -17.408 1193 HA LEU 66 HA LEU 66 -14.429 -13.344 -17.334 1194 HG LEU 66 HG LEU 66 -15.038 -14.700 -20.680 1195 HB2 LEU 66 2HB LEU 66 -12.883 -14.730 -19.478 1196 HB3 LEU 66 1HB LEU 66 -14.158 -15.600 -18.650 1197 HD11 LEU 66 1HD1 LEU 66 -16.884 -13.353 -19.846 1198 HD12 LEU 66 2HD1 LEU 66 -16.003 -13.065 -18.345 1199 HD13 LEU 66 3HD1 LEU 66 -16.530 -14.697 -18.761 1200 HD21 LEU 66 3HD2 LEU 66 -14.096 -12.005 -19.721 1201 HD22 LEU 66 1HD2 LEU 66 -15.091 -12.294 -21.148 1202 HD23 LEU 66 2HD2 LEU 66 -13.443 -12.922 -21.079 1203 H GLN 67 H GLN 67 -11.193 -14.185 -16.683 1204 HA GLN 67 HA GLN 67 -11.782 -16.536 -15.151 1205 HB2 GLN 67 2HB GLN 67 -9.346 -14.774 -15.340 1206 HB3 GLN 67 1HB GLN 67 -9.444 -16.116 -14.210 1207 HG2 GLN 67 2HG GLN 67 -9.884 -17.630 -16.130 1208 HG3 GLN 67 1HG GLN 67 -9.607 -16.266 -17.210 1209 HE21 GLN 67 2HE2 GLN 67 -6.299 -17.123 -15.016 1210 HE22 GLN 67 1HE2 GLN 67 -7.801 -16.741 -14.260 1211 H THR 68 H THR 68 -11.000 -16.551 -12.762 1212 HA THR 68 HA THR 68 -12.797 -14.777 -11.375 1213 HB THR 68 HB THR 68 -12.567 -17.177 -10.791 1214 HG1 THR 68 1HG THR 68 -12.278 -15.097 -8.941 1215 HG21 THR 68 3HG2 THR 68 -10.647 -17.895 -9.421 1216 HG22 THR 68 1HG2 THR 68 -9.878 -16.339 -9.714 1217 HG23 THR 68 2HG2 THR 68 -10.164 -17.444 -11.058 1218 H GLY 69 H GLY 69 -9.832 -14.206 -12.466 1219 HA2 GLY 69 2HA GLY 69 -8.767 -12.104 -11.848 1220 HA3 GLY 69 1HA GLY 69 -9.137 -12.487 -10.170 1221 H ASP 70 H ASP 70 -8.397 -15.271 -10.418 1222 HA ASP 70 HA ASP 70 -6.645 -16.720 -10.411 1223 HB2 ASP 70 2HB ASP 70 -6.391 -15.724 -12.756 1224 HB3 ASP 70 1HB ASP 70 -5.112 -14.727 -12.078 1225 H GLU 71 H GLU 71 -6.802 -14.106 -8.732 1226 HA GLU 71 HA GLU 71 -5.767 -13.044 -7.070 1227 HB2 GLU 71 2HB GLU 71 -4.104 -15.555 -6.966 1228 HB3 GLU 71 1HB GLU 71 -4.226 -14.335 -5.717 1229 HG2 GLU 71 2HG GLU 71 -6.666 -14.829 -5.564 1230 HG3 GLU 71 1HG GLU 71 -6.389 -16.181 -6.663 1231 H ILE 72 H ILE 72 -4.432 -13.187 -9.928 1232 HA ILE 72 HA ILE 72 -2.649 -12.269 -10.994 1233 HB ILE 72 HB ILE 72 -2.237 -10.868 -8.344 1234 HG12 ILE 72 2HG1 ILE 72 -4.348 -10.317 -9.470 1235 HG13 ILE 72 1HG1 ILE 72 -3.251 -8.943 -9.461 1236 HG21 ILE 72 1HG2 ILE 72 -0.936 -10.298 -11.004 1237 HG22 ILE 72 2HG2 ILE 72 -0.142 -10.938 -9.565 1238 HG23 ILE 72 3HG2 ILE 72 -0.799 -9.302 -9.556 1239 HD11 ILE 72 3HD1 ILE 72 -4.382 -9.140 -11.592 1240 HD12 ILE 72 1HD1 ILE 72 -3.758 -10.777 -11.788 1241 HD13 ILE 72 2HD1 ILE 72 -2.649 -9.407 -11.781 1242 H LYS 73 H LYS 73 -1.356 -14.013 -11.416 1243 HA LYS 73 HA LYS 73 0.158 -15.422 -9.529 1244 HB2 LYS 73 2HB LYS 73 0.598 -15.083 -12.500 1245 HB3 LYS 73 1HB LYS 73 1.508 -16.206 -11.498 1246 HG2 LYS 73 2HG LYS 73 -1.457 -16.241 -12.004 1247 HG3 LYS 73 1HG LYS 73 -0.261 -17.391 -12.609 1248 HD2 LYS 73 2HD LYS 73 0.195 -18.175 -10.383 1249 HD3 LYS 73 1HD LYS 73 -0.814 -16.909 -9.684 1250 HE2 LYS 73 2HE LYS 73 -1.974 -19.046 -9.679 1251 HE3 LYS 73 1HE LYS 73 -2.785 -17.886 -10.731 1252 HZ1 LYS 73 3HZ LYS 73 -1.885 -18.947 -12.640 1253 HZ2 LYS 73 1HZ LYS 73 -2.577 -20.154 -11.672 1254 HZ3 LYS 73 2HZ LYS 73 -0.890 -19.954 -11.705 1255 H HIS 74 H HIS 74 2.094 -15.093 -8.597 1256 HA HIS 74 HA HIS 74 3.481 -12.591 -9.207 1257 HD1 HIS 74 1HD HIS 74 3.562 -13.450 -4.919 1258 HD2 HIS 74 2HD HIS 74 -0.118 -13.930 -6.795 1259 HE1 HIS 74 1HE HIS 74 2.231 -14.975 -3.424 1260 HE2 HIS 74 2HE HIS 74 0.061 -15.371 -4.652 1261 HB2 HIS 74 2HB HIS 74 3.156 -11.801 -6.882 1262 HB3 HIS 74 1HB HIS 74 1.631 -11.936 -7.752 1263 H ALA 75 H ALA 75 5.408 -12.277 -7.906 1264 HA ALA 75 HA ALA 75 6.622 -14.693 -6.862 1265 HB1 ALA 75 3HB ALA 75 8.030 -13.109 -8.085 1266 HB2 ALA 75 1HB ALA 75 8.556 -13.222 -6.405 1267 HB3 ALA 75 2HB ALA 75 7.611 -11.832 -6.943 1268 H ASP 76 H ASP 76 7.494 -14.589 -4.562 1269 HA ASP 76 HA ASP 76 5.241 -13.808 -2.901 1270 HB2 ASP 76 2HB ASP 76 6.391 -16.046 -2.734 1271 HB3 ASP 76 1HB ASP 76 7.777 -15.210 -2.044 1272 H ASP 77 H ASP 77 8.318 -12.589 -3.706 1273 HA ASP 77 HA ASP 77 8.715 -11.105 -1.255 1274 HB2 ASP 77 2HB ASP 77 10.606 -12.067 -2.563 1275 HB3 ASP 77 1HB ASP 77 10.243 -10.934 -3.861 1276 H CYS 78 H CYS 78 6.824 -10.648 -3.951 1277 HA CYS 78 HA CYS 78 7.216 -7.933 -4.578 1278 HG CYS 78 HG CYS 78 7.438 -9.389 -6.771 1279 HB2 CYS 78 2HB CYS 78 4.699 -9.595 -4.818 1280 HB3 CYS 78 1HB CYS 78 4.978 -8.050 -5.610 1281 HA PRO 79 HA PRO 79 5.752 -5.736 -1.053 1282 HB2 PRO 79 1HB PRO 79 5.821 -3.533 -1.679 1283 HB3 PRO 79 2HB PRO 79 4.696 -3.777 -3.019 1284 HG2 PRO 79 2HG PRO 79 6.671 -3.550 -4.208 1285 HG3 PRO 79 1HG PRO 79 7.644 -4.260 -2.906 1286 HD2 PRO 79 2HD PRO 79 5.972 -5.611 -4.980 1287 HD3 PRO 79 1HD PRO 79 7.531 -6.105 -4.290 1288 H VAL 80 H VAL 80 3.570 -6.024 -3.824 1289 HA VAL 80 HA VAL 80 1.169 -5.434 -2.507 1290 HB VAL 80 HB VAL 80 1.580 -7.348 -4.815 1291 HG11 VAL 80 1HG1 VAL 80 -0.875 -5.844 -3.908 1292 HG12 VAL 80 2HG1 VAL 80 -0.627 -7.590 -3.837 1293 HG13 VAL 80 3HG1 VAL 80 -0.747 -6.778 -5.398 1294 HG21 VAL 80 3HG2 VAL 80 2.554 -5.150 -5.264 1295 HG22 VAL 80 1HG2 VAL 80 1.022 -4.384 -4.845 1296 HG23 VAL 80 2HG2 VAL 80 1.125 -5.435 -6.258 1297 H VAL 81 H VAL 81 3.029 -8.389 -2.766 1298 HA VAL 81 HA VAL 81 1.004 -10.110 -1.714 1299 HB VAL 81 HB VAL 81 3.975 -10.620 -1.915 1300 HG11 VAL 81 1HG1 VAL 81 3.313 -12.984 -1.973 1301 HG12 VAL 81 2HG1 VAL 81 1.631 -12.512 -1.733 1302 HG13 VAL 81 3HG1 VAL 81 2.823 -12.204 -0.470 1303 HG21 VAL 81 3HG2 VAL 81 3.069 -9.963 -4.073 1304 HG22 VAL 81 1HG2 VAL 81 1.783 -11.159 -3.912 1305 HG23 VAL 81 2HG2 VAL 81 3.461 -11.683 -4.061 1306 H ILE 82 H ILE 82 3.912 -8.566 -0.397 1307 HA ILE 82 HA ILE 82 3.773 -9.775 2.147 1308 HB ILE 82 HB ILE 82 5.752 -8.543 1.096 1309 HG12 ILE 82 2HG1 ILE 82 5.510 -9.387 3.521 1310 HG13 ILE 82 1HG1 ILE 82 6.792 -8.236 3.171 1311 HG21 ILE 82 1HG2 ILE 82 4.661 -6.451 0.563 1312 HG22 ILE 82 2HG2 ILE 82 6.026 -6.184 1.647 1313 HG23 ILE 82 3HG2 ILE 82 4.378 -6.146 2.276 1314 HD11 ILE 82 3HD1 ILE 82 5.432 -6.435 4.094 1315 HD12 ILE 82 1HD1 ILE 82 5.681 -7.728 5.269 1316 HD13 ILE 82 2HD1 ILE 82 4.135 -7.583 4.431 1317 H ALA 83 H ALA 83 2.341 -6.854 0.813 1318 HA ALA 83 HA ALA 83 1.210 -5.871 3.213 1319 HB1 ALA 83 3HB ALA 83 1.449 -4.496 1.210 1320 HB2 ALA 83 1HB ALA 83 -0.220 -4.517 1.775 1321 HB3 ALA 83 2HB ALA 83 0.251 -5.488 0.378 1322 H LYS 84 H LYS 84 0.016 -8.119 0.764 1323 HA LYS 84 HA LYS 84 -2.598 -8.383 1.791 1324 HB2 LYS 84 2HB LYS 84 -0.898 -10.251 0.143 1325 HB3 LYS 84 1HB LYS 84 -2.572 -10.591 0.559 1326 HG2 LYS 84 2HG LYS 84 -3.246 -8.520 -0.594 1327 HG3 LYS 84 1HG LYS 84 -1.563 -8.268 -1.068 1328 HD2 LYS 84 2HD LYS 84 -1.553 -10.302 -2.336 1329 HD3 LYS 84 1HD LYS 84 -3.159 -10.728 -1.741 1330 HE2 LYS 84 2HE LYS 84 -4.011 -8.637 -2.831 1331 HE3 LYS 84 1HE LYS 84 -2.420 -8.453 -3.572 1332 HZ1 LYS 84 3HZ LYS 84 -2.711 -10.607 -4.639 1333 HZ2 LYS 84 1HZ LYS 84 -3.968 -9.545 -5.068 1334 HZ3 LYS 84 2HZ LYS 84 -4.240 -10.775 -3.927 1335 H GLN 85 H GLN 85 0.415 -10.058 2.494 1336 HA GLN 85 HA GLN 85 -0.692 -11.990 4.224 1337 HB2 GLN 85 2HB GLN 85 2.078 -10.840 3.966 1338 HB3 GLN 85 1HB GLN 85 1.676 -12.152 5.058 1339 HG2 GLN 85 2HG GLN 85 0.996 -13.548 3.214 1340 HG3 GLN 85 1HG GLN 85 1.262 -12.221 2.083 1341 HE21 GLN 85 2HE2 GLN 85 4.725 -12.646 1.892 1342 HE22 GLN 85 1HE2 GLN 85 3.361 -11.630 1.557 1343 H ILE 86 H ILE 86 0.156 -8.654 4.645 1344 HA ILE 86 HA ILE 86 0.254 -8.685 7.501 1345 HB ILE 86 HB ILE 86 -0.149 -6.399 5.564 1346 HG12 ILE 86 2HG1 ILE 86 2.272 -7.248 7.167 1347 HG13 ILE 86 1HG1 ILE 86 2.045 -7.532 5.448 1348 HG21 ILE 86 1HG2 ILE 86 0.368 -4.916 7.456 1349 HG22 ILE 86 2HG2 ILE 86 0.342 -6.308 8.538 1350 HG23 ILE 86 3HG2 ILE 86 -1.130 -5.815 7.700 1351 HD11 ILE 86 3HD1 ILE 86 2.284 -4.852 6.790 1352 HD12 ILE 86 1HD1 ILE 86 1.995 -5.110 5.070 1353 HD13 ILE 86 2HD1 ILE 86 3.508 -5.648 5.800 1354 H LEU 87 H LEU 87 -2.262 -7.899 5.105 1355 HA LEU 87 HA LEU 87 -4.142 -7.006 7.020 1356 HG LEU 87 HG LEU 87 -3.770 -8.730 3.746 1357 HB2 LEU 87 2HB LEU 87 -5.798 -7.128 5.250 1358 HB3 LEU 87 1HB LEU 87 -4.331 -6.351 4.703 1359 HD11 LEU 87 1HD1 LEU 87 -6.777 -8.831 3.928 1360 HD12 LEU 87 2HD1 LEU 87 -5.643 -9.916 4.731 1361 HD13 LEU 87 3HD1 LEU 87 -5.770 -9.918 2.972 1362 HD21 LEU 87 3HD2 LEU 87 -5.813 -6.896 2.502 1363 HD22 LEU 87 1HD2 LEU 87 -4.848 -8.096 1.643 1364 HD23 LEU 87 2HD2 LEU 87 -4.060 -6.719 2.415 1365 H SER 88 H SER 88 -3.253 -10.164 5.921 1366 HA SER 88 HA SER 88 -5.533 -11.479 7.062 1367 HG SER 88 HG SER 88 -5.204 -13.096 4.786 1368 HB2 SER 88 2HB SER 88 -2.851 -12.562 6.166 1369 HB3 SER 88 1HB SER 88 -4.238 -13.540 6.628 1370 H SER 89 H SER 89 -5.707 -10.966 9.193 1371 HA SER 89 HA SER 89 -3.488 -10.802 10.961 1372 HG SER 89 HG SER 89 -6.909 -11.835 11.491 1373 HB2 SER 89 2HB SER 89 -5.329 -10.681 12.722 1374 HB3 SER 89 1HB SER 89 -5.372 -9.439 11.471 1375 H ARG 90 H ARG 90 -2.394 -12.727 10.948 1376 HA ARG 90 HA ARG 90 -3.456 -14.766 12.676 1377 HE ARG 90 HE ARG 90 -2.072 -15.307 6.892 1378 HB2 ARG 90 2HB ARG 90 -2.999 -16.616 11.062 1379 HB3 ARG 90 1HB ARG 90 -4.360 -15.603 10.605 1380 HG2 ARG 90 2HG ARG 90 -2.940 -14.422 9.000 1381 HG3 ARG 90 1HG ARG 90 -1.581 -15.450 9.454 1382 HD2 ARG 90 2HD ARG 90 -2.742 -17.408 8.647 1383 HD3 ARG 90 1HD ARG 90 -4.185 -16.451 8.306 1384 HH11 ARG 90 1HH1 ARG 90 -3.799 -18.355 6.943 1385 HH12 ARG 90 2HH1 ARG 90 -3.622 -18.640 5.242 1386 HH21 ARG 90 2HH2 ARG 90 -2.484 -17.129 3.933 1387 HH22 ARG 90 1HH2 ARG 90 -1.840 -15.676 4.638 1388 HA PRO 91 HA PRO 91 0.924 -14.829 13.525 1389 HB2 PRO 91 1HB PRO 91 0.886 -15.506 15.688 1390 HB3 PRO 91 2HB PRO 91 0.441 -17.147 15.214 1391 HG2 PRO 91 2HG PRO 91 -1.553 -16.601 16.202 1392 HG3 PRO 91 1HG PRO 91 -1.294 -14.861 15.973 1393 HD2 PRO 91 2HD PRO 91 -2.353 -16.894 14.045 1394 HD3 PRO 91 1HD PRO 91 -2.887 -15.222 14.330 1395 H LYS 92 H LYS 92 1.586 -15.556 11.455 1396 HA LYS 92 HA LYS 92 1.507 -18.388 10.867 1397 HB2 LYS 92 2HB LYS 92 1.248 -16.718 9.052 1398 HB3 LYS 92 1HB LYS 92 2.886 -16.156 9.359 1399 HG2 LYS 92 2HG LYS 92 3.736 -18.397 8.799 1400 HG3 LYS 92 1HG LYS 92 2.090 -18.906 8.424 1401 HD2 LYS 92 2HD LYS 92 3.234 -18.354 6.379 1402 HD3 LYS 92 1HD LYS 92 1.983 -17.150 6.685 1403 HE2 LYS 92 2HE LYS 92 3.624 -15.580 7.494 1404 HE3 LYS 92 1HE LYS 92 4.897 -16.794 7.376 1405 HZ1 LYS 92 3HZ LYS 92 4.931 -15.241 5.509 1406 HZ2 LYS 92 1HZ LYS 92 3.357 -15.707 5.078 1407 HZ3 LYS 92 2HZ LYS 92 4.624 -16.826 4.990 1408 H LEU 93 H LEU 93 2.759 -19.487 12.228 1409 HA LEU 93 HA LEU 93 5.616 -18.781 12.296 1410 HG LEU 93 HG LEU 93 3.607 -17.666 14.440 1411 HB2 LEU 93 2HB LEU 93 4.010 -20.110 14.489 1412 HB3 LEU 93 1HB LEU 93 5.736 -19.807 14.532 1413 HD11 LEU 93 1HD1 LEU 93 3.571 -18.847 16.555 1414 HD12 LEU 93 2HD1 LEU 93 4.260 -17.237 16.764 1415 HD13 LEU 93 3HD1 LEU 93 5.315 -18.649 16.718 1416 HD21 LEU 93 3HD2 LEU 93 6.589 -17.472 14.842 1417 HD22 LEU 93 1HD2 LEU 93 5.441 -16.134 14.898 1418 HD23 LEU 93 2HD2 LEU 93 5.713 -17.000 13.385 1419 H HIS 94 H HIS 94 6.072 -20.087 10.533 1420 HA HIS 94 HA HIS 94 5.989 -22.961 11.106 1421 HD1 HIS 94 1HD HIS 94 5.046 -23.396 6.581 1422 HD2 HIS 94 2HD HIS 94 5.363 -25.288 10.274 1423 HE1 HIS 94 1HE HIS 94 5.243 -25.846 6.074 1424 HE2 HIS 94 2HE HIS 94 5.654 -26.943 8.307 1425 HB2 HIS 94 2HB HIS 94 4.033 -22.425 9.667 1426 HB3 HIS 94 1HB HIS 94 5.130 -21.774 8.457 1427 H ALA 95 H ALA 95 8.178 -22.873 11.510 1428 HA ALA 95 HA ALA 95 9.998 -22.014 9.424 1429 HB1 ALA 95 3HB ALA 95 10.588 -23.463 12.011 1430 HB2 ALA 95 1HB ALA 95 10.603 -21.711 11.791 1431 HB3 ALA 95 2HB ALA 95 11.768 -22.717 10.933 1432 H VAL 96 H VAL 96 10.159 -23.252 7.683 1433 HA VAL 96 HA VAL 96 10.545 -25.017 6.324 1434 HB VAL 96 HB VAL 96 11.093 -26.608 8.843 1435 HG11 VAL 96 1HG1 VAL 96 11.710 -27.222 5.952 1436 HG12 VAL 96 2HG1 VAL 96 10.544 -28.059 6.975 1437 HG13 VAL 96 3HG1 VAL 96 12.265 -28.161 7.339 1438 HG21 VAL 96 3HG2 VAL 96 12.980 -25.220 6.941 1439 HG22 VAL 96 1HG2 VAL 96 13.450 -26.264 8.283 1440 HG23 VAL 96 2HG2 VAL 96 12.625 -24.739 8.601 Start of MODEL 14 1 HA MET 1 HA MET 1 8.144 10.134 -14.923 2 H1 MET 1 1H MET 1 5.974 11.162 -14.942 3 H2 MET 1 2H MET 1 5.229 9.649 -14.744 4 H3 MET 1 3H MET 1 6.106 9.987 -16.158 5 HB2 MET 1 2HB MET 1 7.078 10.932 -12.813 6 HB3 MET 1 1HB MET 1 6.473 9.303 -12.541 7 HG2 MET 1 2HG MET 1 8.831 8.502 -12.536 8 HG3 MET 1 1HG MET 1 9.351 10.184 -12.622 9 HE1 MET 1 3HE MET 1 8.737 11.996 -10.698 10 HE2 MET 1 1HE MET 1 7.847 11.577 -9.234 11 HE3 MET 1 2HE MET 1 7.040 11.529 -10.802 12 H GLY 2 H GLY 2 8.643 8.486 -16.311 13 HA2 GLY 2 2HA GLY 2 7.742 5.788 -15.509 14 HA3 GLY 2 1HA GLY 2 8.140 6.245 -17.158 15 H SER 3 H SER 3 9.243 4.657 -14.487 16 HA SER 3 HA SER 3 11.853 4.375 -15.632 17 HG SER 3 HG SER 3 11.689 6.886 -12.521 18 HB2 SER 3 2HB SER 3 12.980 4.976 -13.389 19 HB3 SER 3 1HB SER 3 12.477 6.295 -14.445 20 H SER 4 H SER 4 10.964 2.251 -15.791 21 HA SER 4 HA SER 4 10.678 0.712 -13.368 22 HG SER 4 HG SER 4 10.953 -0.385 -17.128 23 HB2 SER 4 2HB SER 4 10.634 -1.183 -15.207 24 HB3 SER 4 1HB SER 4 9.255 -0.103 -15.004 25 H HIS 5 H HIS 5 12.640 0.789 -12.328 26 HA HIS 5 HA HIS 5 14.915 -0.449 -13.726 27 HD1 HIS 5 1HD HIS 5 17.581 2.907 -11.934 28 HD2 HIS 5 2HD HIS 5 17.089 -0.329 -14.499 29 HE1 HIS 5 1HE HIS 5 19.885 2.352 -12.769 30 HE2 HIS 5 2HE HIS 5 19.549 0.481 -14.429 31 HB2 HIS 5 2HB HIS 5 14.944 2.133 -13.552 32 HB3 HIS 5 1HB HIS 5 15.244 1.880 -11.839 33 H HIS 6 H HIS 6 14.892 -2.376 -12.652 34 HA HIS 6 HA HIS 6 14.355 -2.609 -9.868 35 HD1 HIS 6 1HD HIS 6 14.746 -4.535 -13.783 36 HD2 HIS 6 2HD HIS 6 17.682 -5.527 -11.005 37 HE1 HIS 6 1HE HIS 6 16.642 -5.515 -15.116 38 HE2 HIS 6 2HE HIS 6 18.358 -6.220 -13.405 39 HB2 HIS 6 2HB HIS 6 15.063 -4.958 -10.102 40 HB3 HIS 6 1HB HIS 6 13.923 -4.492 -11.356 41 H HIS 7 H HIS 7 15.715 -2.848 -8.125 42 HA HIS 7 HA HIS 7 18.589 -2.659 -8.528 43 HD1 HIS 7 1HD HIS 7 15.728 0.675 -8.738 44 HD2 HIS 7 2HD HIS 7 16.868 -0.500 -4.915 45 HE1 HIS 7 1HE HIS 7 13.983 1.610 -7.194 46 HE2 HIS 7 2HE HIS 7 14.827 1.093 -4.877 47 HB2 HIS 7 2HB HIS 7 18.757 -0.606 -7.094 48 HB3 HIS 7 1HB HIS 7 18.039 -0.334 -8.676 49 H HIS 8 H HIS 8 16.818 -4.616 -7.292 50 HA HIS 8 HA HIS 8 18.275 -5.122 -4.934 51 HD1 HIS 8 1HD HIS 8 14.816 -5.874 -2.556 52 HD2 HIS 8 2HD HIS 8 18.579 -4.197 -2.039 53 HE1 HIS 8 1HE HIS 8 15.563 -6.590 -0.265 54 HE2 HIS 8 2HE HIS 8 17.747 -5.380 0.106 55 HB2 HIS 8 2HB HIS 8 16.811 -3.233 -4.113 56 HB3 HIS 8 1HB HIS 8 15.418 -4.272 -4.391 57 H HIS 9 H HIS 9 18.430 -7.165 -5.935 58 HA HIS 9 HA HIS 9 15.919 -8.709 -5.951 59 HD1 HIS 9 1HD HIS 9 18.689 -11.653 -8.264 60 HD2 HIS 9 2HD HIS 9 14.791 -10.671 -7.181 61 HE1 HIS 9 1HE HIS 9 17.356 -13.773 -8.509 62 HE2 HIS 9 2HE HIS 9 15.015 -13.179 -7.785 63 HB2 HIS 9 2HB HIS 9 17.067 -8.645 -8.136 64 HB3 HIS 9 1HB HIS 9 18.513 -9.320 -7.393 65 H HIS 10 H HIS 10 16.047 -8.961 -3.680 66 HA HIS 10 HA HIS 10 17.181 -11.458 -2.953 67 HD1 HIS 10 1HD HIS 10 18.698 -9.500 0.832 68 HD2 HIS 10 2HD HIS 10 19.162 -12.893 -1.533 69 HE1 HIS 10 1HE HIS 10 19.342 -11.349 2.413 70 HE2 HIS 10 2HE HIS 10 19.809 -13.338 0.935 71 HB2 HIS 10 2HB HIS 10 19.210 -10.074 -2.639 72 HB3 HIS 10 1HB HIS 10 18.313 -9.011 -1.561 73 H SER 11 H SER 11 15.563 -12.298 -1.842 74 HA SER 11 HA SER 11 13.900 -10.506 -0.215 75 HG SER 11 HG SER 11 12.639 -13.462 -2.641 76 HB2 SER 11 2HB SER 11 12.197 -12.422 -0.529 77 HB3 SER 11 1HB SER 11 12.531 -11.378 -1.912 78 H SER 12 H SER 12 13.032 -11.347 1.759 79 HA SER 12 HA SER 12 14.122 -13.794 2.840 80 HG SER 12 HG SER 12 16.107 -12.650 2.402 81 HB2 SER 12 2HB SER 12 14.712 -11.119 4.142 82 HB3 SER 12 1HB SER 12 15.079 -12.697 4.837 83 H GLY 13 H GLY 13 12.695 -14.718 4.188 84 HA2 GLY 13 2HA GLY 13 10.315 -13.139 4.899 85 HA3 GLY 13 1HA GLY 13 10.389 -14.894 4.801 86 H ARG 14 H ARG 14 9.930 -15.625 6.754 87 HA ARG 14 HA ARG 14 10.202 -16.180 8.928 88 HE ARG 14 HE ARG 14 12.477 -19.234 7.695 89 HB2 ARG 14 2HB ARG 14 12.805 -14.724 8.530 90 HB3 ARG 14 1HB ARG 14 12.358 -15.416 10.088 91 HG2 ARG 14 2HG ARG 14 12.564 -16.940 7.499 92 HG3 ARG 14 1HG ARG 14 13.778 -16.922 8.785 93 HD2 ARG 14 2HD ARG 14 12.427 -18.095 10.254 94 HD3 ARG 14 1HD ARG 14 10.949 -17.646 9.408 95 HH11 ARG 14 1HH1 ARG 14 10.829 -19.511 10.756 96 HH12 ARG 14 2HH1 ARG 14 10.366 -21.165 10.519 97 HH21 ARG 14 2HH2 ARG 14 10.973 -22.253 8.580 98 HH22 ARG 14 1HH2 ARG 14 11.872 -21.408 7.345 99 H GLU 15 H GLU 15 9.163 -13.450 7.937 100 HA GLU 15 HA GLU 15 9.318 -11.728 10.193 101 HB2 GLU 15 2HB GLU 15 8.450 -11.368 7.678 102 HB3 GLU 15 1HB GLU 15 6.903 -11.692 8.444 103 HG2 GLU 15 2HG GLU 15 8.832 -9.471 9.047 104 HG3 GLU 15 1HG GLU 15 7.194 -9.346 8.408 105 H ASN 16 H ASN 16 8.035 -11.653 12.009 106 HA ASN 16 HA ASN 16 5.801 -13.487 12.265 107 HB2 ASN 16 2HB ASN 16 6.769 -14.669 14.203 108 HB3 ASN 16 1HB ASN 16 7.696 -14.950 12.736 109 HD21 ASN 16 2HD2 ASN 16 10.609 -13.378 13.896 110 HD22 ASN 16 1HD2 ASN 16 9.740 -13.942 12.510 111 H LEU 17 H LEU 17 6.490 -10.535 12.525 112 HA LEU 17 HA LEU 17 5.897 -10.070 15.338 113 HG LEU 17 HG LEU 17 8.508 -9.391 13.745 114 HB2 LEU 17 2HB LEU 17 6.498 -8.144 13.091 115 HB3 LEU 17 1HB LEU 17 6.233 -7.684 14.762 116 HD11 LEU 17 1HD1 LEU 17 8.716 -7.057 13.088 117 HD12 LEU 17 2HD1 LEU 17 9.901 -7.471 14.326 118 HD13 LEU 17 3HD1 LEU 17 8.459 -6.552 14.759 119 HD21 LEU 17 3HD2 LEU 17 7.862 -10.035 15.999 120 HD22 LEU 17 1HD2 LEU 17 7.916 -8.349 16.515 121 HD23 LEU 17 2HD2 LEU 17 9.398 -9.167 16.021 122 H TYR 18 H TYR 18 4.478 -7.804 15.286 123 HA TYR 18 HA TYR 18 2.218 -7.777 13.591 124 HD1 TYR 18 2HD TYR 18 0.066 -9.164 13.045 125 HD2 TYR 18 1HD TYR 18 -0.333 -7.838 17.066 126 HE1 TYR 18 2HE TYR 18 -2.305 -8.661 12.639 127 HE2 TYR 18 1HE TYR 18 -2.707 -7.336 16.671 128 HH TYR 18 HH TYR 18 -4.204 -6.855 14.844 129 HB2 TYR 18 2HB TYR 18 1.702 -9.831 14.952 130 HB3 TYR 18 1HB TYR 18 1.679 -8.818 16.389 131 H PHE 19 H PHE 19 0.462 -6.285 14.695 132 HA PHE 19 HA PHE 19 1.881 -3.906 15.405 133 HD1 PHE 19 2HD PHE 19 0.884 -1.686 13.749 134 HD2 PHE 19 1HD PHE 19 -0.936 -5.443 12.934 135 HE1 PHE 19 2HE PHE 19 1.152 -1.286 11.338 136 HE2 PHE 19 1HE PHE 19 -0.676 -5.049 10.521 137 HZ PHE 19 HZ PHE 19 0.370 -2.969 9.721 138 HB2 PHE 19 2HB PHE 19 -1.070 -4.466 15.112 139 HB3 PHE 19 1HB PHE 19 -0.401 -2.876 15.450 140 H GLN 20 H GLN 20 2.700 -5.072 17.442 141 HA GLN 20 HA GLN 20 0.994 -4.038 19.620 142 HB2 GLN 20 2HB GLN 20 2.977 -6.319 19.738 143 HB3 GLN 20 1HB GLN 20 2.251 -5.575 21.154 144 HG2 GLN 20 2HG GLN 20 0.009 -6.182 19.974 145 HG3 GLN 20 1HG GLN 20 1.012 -7.332 19.091 146 HE21 GLN 20 2HE2 GLN 20 0.314 -9.566 21.683 147 HE22 GLN 20 1HE2 GLN 20 0.091 -9.148 20.013 148 H GLY 21 H GLY 21 3.640 -3.538 17.784 149 HA2 GLY 21 2HA GLY 21 4.697 -1.352 19.001 150 HA3 GLY 21 1HA GLY 21 5.546 -2.696 19.759 151 H MET 22 H MET 22 4.938 -1.014 16.761 152 HA MET 22 HA MET 22 6.484 -2.786 15.149 153 HB2 MET 22 2HB MET 22 5.142 -0.160 14.703 154 HB3 MET 22 1HB MET 22 6.319 -0.732 13.528 155 HG2 MET 22 2HG MET 22 3.822 -2.170 14.397 156 HG3 MET 22 1HG MET 22 4.085 -1.352 12.856 157 HE1 MET 22 3HE MET 22 4.100 -5.072 11.695 158 HE2 MET 22 1HE MET 22 3.438 -3.461 11.427 159 HE3 MET 22 2HE MET 22 3.055 -4.335 12.910 160 H THR 23 H THR 23 8.497 -2.689 14.480 161 HA THR 23 HA THR 23 10.368 -1.039 15.900 162 HB THR 23 HB THR 23 10.924 -3.370 15.418 163 HG1 THR 23 1HG THR 23 13.000 -3.001 14.802 164 HG21 THR 23 3HG2 THR 23 9.705 -3.632 13.320 165 HG22 THR 23 1HG2 THR 23 11.388 -4.127 13.136 166 HG23 THR 23 2HG2 THR 23 10.853 -2.567 12.508 167 H ASP 24 H ASP 24 12.190 -0.013 14.560 168 HA ASP 24 HA ASP 24 11.081 2.148 13.132 169 HB2 ASP 24 2HB ASP 24 13.172 2.351 14.380 170 HB3 ASP 24 1HB ASP 24 13.951 1.196 13.303 171 H THR 25 H THR 25 12.479 -0.883 12.127 172 HA THR 25 HA THR 25 13.001 -0.328 9.434 173 HB THR 25 HB THR 25 12.083 -3.016 10.444 174 HG1 THR 25 1HG THR 25 14.167 -3.313 11.269 175 HG21 THR 25 3HG2 THR 25 13.806 -3.821 8.869 176 HG22 THR 25 1HG2 THR 25 14.140 -2.152 8.402 177 HG23 THR 25 2HG2 THR 25 12.563 -2.867 8.061 178 H ALA 26 H ALA 26 10.011 -0.977 11.093 179 HA ALA 26 HA ALA 26 8.482 -2.106 9.036 180 HB1 ALA 26 3HB ALA 26 7.829 -2.098 11.410 181 HB2 ALA 26 1HB ALA 26 6.544 -1.510 10.354 182 HB3 ALA 26 2HB ALA 26 7.502 -0.368 11.298 183 H ALA 27 H ALA 27 9.338 1.215 9.668 184 HA ALA 27 HA ALA 27 7.254 2.415 8.165 185 HB1 ALA 27 3HB ALA 27 9.959 3.528 8.895 186 HB2 ALA 27 1HB ALA 27 8.496 3.643 9.873 187 HB3 ALA 27 2HB ALA 27 8.581 4.459 8.311 188 H GLU 28 H GLU 28 10.304 0.988 7.312 189 HA GLU 28 HA GLU 28 10.545 2.390 4.805 190 HB2 GLU 28 2HB GLU 28 12.474 1.539 6.232 191 HB3 GLU 28 1HB GLU 28 12.063 -0.071 5.664 192 HG2 GLU 28 2HG GLU 28 13.884 0.833 4.375 193 HG3 GLU 28 1HG GLU 28 12.454 0.649 3.358 194 H ASP 29 H ASP 29 9.549 -0.823 5.888 195 HA ASP 29 HA ASP 29 9.288 -2.004 3.331 196 HB2 ASP 29 2HB ASP 29 7.866 -2.678 5.914 197 HB3 ASP 29 1HB ASP 29 7.896 -3.695 4.477 198 H VAL 30 H VAL 30 6.848 -0.515 5.465 199 HA VAL 30 HA VAL 30 4.690 -0.795 3.657 200 HB VAL 30 HB VAL 30 5.014 1.290 5.825 201 HG11 VAL 30 1HG1 VAL 30 3.198 1.819 4.313 202 HG12 VAL 30 2HG1 VAL 30 2.554 1.289 5.867 203 HG13 VAL 30 3HG1 VAL 30 2.545 0.191 4.486 204 HG21 VAL 30 3HG2 VAL 30 5.343 -0.934 6.738 205 HG22 VAL 30 1HG2 VAL 30 3.846 -1.488 5.985 206 HG23 VAL 30 2HG2 VAL 30 3.795 -0.277 7.267 207 H ARG 31 H ARG 31 7.177 1.606 4.057 208 HA ARG 31 HA ARG 31 6.131 3.694 2.503 209 HE ARG 31 HE ARG 31 10.758 6.499 1.357 210 HB2 ARG 31 2HB ARG 31 8.090 3.845 4.006 211 HB3 ARG 31 1HB ARG 31 9.005 2.844 2.893 212 HG2 ARG 31 2HG ARG 31 8.962 4.558 1.223 213 HG3 ARG 31 1HG ARG 31 7.874 5.546 2.208 214 HD2 ARG 31 2HD ARG 31 9.581 5.710 3.943 215 HD3 ARG 31 1HD ARG 31 10.661 4.696 2.991 216 HH11 ARG 31 1HH1 ARG 31 9.461 7.278 4.512 217 HH12 ARG 31 2HH1 ARG 31 9.925 8.944 4.434 218 HH21 ARG 31 2HH2 ARG 31 11.030 9.753 2.610 219 HH22 ARG 31 1HH2 ARG 31 11.406 8.705 1.271 220 H LYS 32 H LYS 32 7.907 0.785 1.659 221 HA LYS 32 HA LYS 32 8.209 1.437 -1.105 222 HB2 LYS 32 2HB LYS 32 8.800 -0.856 0.647 223 HB3 LYS 32 1HB LYS 32 8.451 -1.276 -1.023 224 HG2 LYS 32 2HG LYS 32 10.868 -0.941 -0.531 225 HG3 LYS 32 1HG LYS 32 10.241 0.085 -1.820 226 HD2 LYS 32 2HD LYS 32 10.058 1.954 -0.253 227 HD3 LYS 32 1HD LYS 32 10.665 0.926 1.047 228 HE2 LYS 32 2HE LYS 32 12.787 0.699 -0.048 229 HE3 LYS 32 1HE LYS 32 12.190 1.539 -1.478 230 HZ1 LYS 32 3HZ LYS 32 12.014 3.556 -0.241 231 HZ2 LYS 32 1HZ LYS 32 13.567 2.929 0.006 232 HZ3 LYS 32 2HZ LYS 32 12.389 2.775 1.218 233 H ILE 33 H ILE 33 5.884 -0.402 0.788 234 HA ILE 33 HA ILE 33 4.400 -1.503 -1.332 235 HB ILE 33 HB ILE 33 3.422 -0.684 1.411 236 HG12 ILE 33 2HG1 ILE 33 4.406 -3.368 0.420 237 HG13 ILE 33 1HG1 ILE 33 5.338 -2.269 1.432 238 HG21 ILE 33 1HG2 ILE 33 1.572 -1.022 -0.125 239 HG22 ILE 33 2HG2 ILE 33 1.643 -2.343 1.042 240 HG23 ILE 33 3HG2 ILE 33 2.229 -2.587 -0.603 241 HD11 ILE 33 3HD1 ILE 33 4.339 -4.076 2.724 242 HD12 ILE 33 1HD1 ILE 33 2.735 -3.578 2.190 243 HD13 ILE 33 2HD1 ILE 33 3.696 -2.506 3.210 244 H ALA 34 H ALA 34 4.053 1.542 0.441 245 HA ALA 34 HA ALA 34 1.717 2.460 -0.800 246 HB1 ALA 34 3HB ALA 34 3.973 4.084 0.369 247 HB2 ALA 34 1HB ALA 34 2.600 3.426 1.259 248 HB3 ALA 34 2HB ALA 34 2.343 4.671 0.036 249 H THR 35 H THR 35 5.057 2.557 -1.823 250 HA THR 35 HA THR 35 4.776 4.544 -3.822 251 HB THR 35 HB THR 35 6.812 2.315 -3.643 252 HG1 THR 35 1HG THR 35 6.815 3.690 -1.801 253 HG21 THR 35 3HG2 THR 35 8.220 3.800 -5.007 254 HG22 THR 35 1HG2 THR 35 6.867 4.921 -5.158 255 HG23 THR 35 2HG2 THR 35 6.758 3.308 -5.863 256 H ALA 36 H ALA 36 4.240 1.082 -3.781 257 HA ALA 36 HA ALA 36 4.196 0.571 -6.545 258 HB1 ALA 36 3HB ALA 36 2.971 -1.441 -5.982 259 HB2 ALA 36 1HB ALA 36 2.608 -0.794 -4.380 260 HB3 ALA 36 2HB ALA 36 4.273 -1.172 -4.822 261 H LEU 37 H LEU 37 1.509 1.347 -4.324 262 HA LEU 37 HA LEU 37 -0.480 1.190 -6.314 263 HG LEU 37 HG LEU 37 0.571 2.783 -3.153 264 HB2 LEU 37 2HB LEU 37 -1.947 2.269 -4.667 265 HB3 LEU 37 1HB LEU 37 -1.073 0.905 -4.014 266 HD11 LEU 37 1HD1 LEU 37 -0.555 4.641 -4.261 267 HD12 LEU 37 2HD1 LEU 37 -0.622 4.814 -2.507 268 HD13 LEU 37 3HD1 LEU 37 -2.045 4.264 -3.392 269 HD21 LEU 37 3HD2 LEU 37 -0.686 2.825 -1.055 270 HD22 LEU 37 1HD2 LEU 37 -0.640 1.206 -1.751 271 HD23 LEU 37 2HD2 LEU 37 -2.100 2.185 -1.892 272 H LEU 38 H LEU 38 1.681 3.741 -5.404 273 HA LEU 38 HA LEU 38 0.245 5.911 -6.498 274 HG LEU 38 HG LEU 38 2.067 5.650 -4.013 275 HB2 LEU 38 2HB LEU 38 3.216 5.493 -6.180 276 HB3 LEU 38 1HB LEU 38 2.489 7.007 -6.679 277 HD11 LEU 38 1HD1 LEU 38 3.614 8.122 -4.778 278 HD12 LEU 38 2HD1 LEU 38 4.298 6.588 -4.241 279 HD13 LEU 38 3HD1 LEU 38 3.328 7.559 -3.133 280 HD21 LEU 38 3HD2 LEU 38 0.884 7.702 -3.405 281 HD22 LEU 38 1HD2 LEU 38 0.086 6.875 -4.741 282 HD23 LEU 38 2HD2 LEU 38 1.075 8.302 -5.053 283 H LYS 39 H LYS 39 2.330 3.476 -7.910 284 HA LYS 39 HA LYS 39 2.290 4.827 -10.474 285 HB2 LYS 39 2HB LYS 39 3.683 2.315 -9.564 286 HB3 LYS 39 1HB LYS 39 3.838 3.024 -11.158 287 HG2 LYS 39 2HG LYS 39 4.677 4.273 -8.553 288 HG3 LYS 39 1HG LYS 39 5.740 3.617 -9.798 289 HD2 LYS 39 2HD LYS 39 3.850 5.933 -10.214 290 HD3 LYS 39 1HD LYS 39 5.562 6.104 -9.830 291 HE2 LYS 39 2HE LYS 39 4.473 4.661 -12.244 292 HE3 LYS 39 1HE LYS 39 5.054 6.324 -12.254 293 HZ1 LYS 39 3HZ LYS 39 6.674 3.916 -11.608 294 HZ2 LYS 39 1HZ LYS 39 7.237 5.511 -11.552 295 HZ3 LYS 39 2HZ LYS 39 6.766 4.822 -13.029 296 H THR 40 H THR 40 1.335 1.642 -9.155 297 HA THR 40 HA THR 40 0.391 0.917 -11.799 298 HB THR 40 HB THR 40 0.031 -1.341 -10.766 299 HG1 THR 40 1HG THR 40 -0.163 -1.016 -8.617 300 HG21 THR 40 3HG2 THR 40 2.788 -0.144 -10.467 301 HG22 THR 40 1HG2 THR 40 2.096 -0.781 -11.959 302 HG23 THR 40 2HG2 THR 40 2.415 -1.862 -10.602 303 H ALA 41 H ALA 41 -1.042 1.952 -8.803 304 HA ALA 41 HA ALA 41 -3.589 0.720 -9.331 305 HB1 ALA 41 3HB ALA 41 -2.938 2.924 -7.384 306 HB2 ALA 41 1HB ALA 41 -2.875 1.196 -7.032 307 HB3 ALA 41 2HB ALA 41 -4.415 1.961 -7.425 308 H ILE 42 H ILE 42 -1.968 3.462 -10.452 309 HA ILE 42 HA ILE 42 -4.291 4.971 -11.224 310 HB ILE 42 HB ILE 42 -1.490 5.123 -12.360 311 HG12 ILE 42 2HG1 ILE 42 -1.432 5.495 -9.953 312 HG13 ILE 42 1HG1 ILE 42 -1.162 7.010 -10.803 313 HG21 ILE 42 1HG2 ILE 42 -3.157 6.165 -13.781 314 HG22 ILE 42 2HG2 ILE 42 -2.147 7.395 -13.021 315 HG23 ILE 42 3HG2 ILE 42 -3.775 7.090 -12.413 316 HD11 ILE 42 3HD1 ILE 42 -2.614 7.325 -8.885 317 HD12 ILE 42 1HD1 ILE 42 -3.749 6.143 -9.535 318 HD13 ILE 42 2HD1 ILE 42 -3.478 7.664 -10.385 319 H GLU 43 H GLU 43 -5.675 4.055 -12.614 320 HA GLU 43 HA GLU 43 -4.591 2.183 -14.601 321 HB2 GLU 43 2HB GLU 43 -6.123 1.243 -12.890 322 HB3 GLU 43 1HB GLU 43 -7.385 2.321 -13.459 323 HG2 GLU 43 2HG GLU 43 -7.338 1.225 -15.641 324 HG3 GLU 43 1HG GLU 43 -6.071 0.140 -15.063 325 H ILE 44 H ILE 44 -5.182 2.306 -16.718 326 HA ILE 44 HA ILE 44 -6.615 4.730 -17.538 327 HB ILE 44 HB ILE 44 -4.884 2.846 -19.145 328 HG12 ILE 44 2HG1 ILE 44 -3.637 4.332 -17.612 329 HG13 ILE 44 1HG1 ILE 44 -3.338 4.725 -19.301 330 HG21 ILE 44 1HG2 ILE 44 -6.705 3.721 -20.510 331 HG22 ILE 44 2HG2 ILE 44 -5.154 4.393 -21.009 332 HG23 ILE 44 3HG2 ILE 44 -6.268 5.368 -20.050 333 HD11 ILE 44 3HD1 ILE 44 -3.607 6.730 -17.978 334 HD12 ILE 44 1HD1 ILE 44 -5.203 6.185 -17.462 335 HD13 ILE 44 2HD1 ILE 44 -4.909 6.570 -19.158 336 H VAL 45 H VAL 45 -8.709 4.425 -17.775 337 HA VAL 45 HA VAL 45 -9.639 1.908 -18.954 338 HB VAL 45 HB VAL 45 -11.956 2.805 -18.426 339 HG11 VAL 45 1HG1 VAL 45 -10.082 2.377 -16.102 340 HG12 VAL 45 2HG1 VAL 45 -10.825 1.104 -17.070 341 HG13 VAL 45 3HG1 VAL 45 -11.834 2.161 -16.081 342 HG21 VAL 45 3HG2 VAL 45 -12.070 4.522 -16.635 343 HG22 VAL 45 1HG2 VAL 45 -11.483 5.152 -18.174 344 HG23 VAL 45 2HG2 VAL 45 -10.347 4.826 -16.867 345 H SER 46 H SER 46 -9.563 1.924 -21.069 346 HA SER 46 HA SER 46 -9.928 4.463 -22.469 347 HG SER 46 HG SER 46 -8.962 1.106 -23.636 348 HB2 SER 46 2HB SER 46 -8.715 3.221 -24.336 349 HB3 SER 46 1HB SER 46 -7.775 3.571 -22.888 350 H GLU 47 H GLU 47 -11.328 4.701 -24.149 351 HA GLU 47 HA GLU 47 -13.484 2.786 -24.305 352 HB2 GLU 47 2HB GLU 47 -12.981 5.435 -25.672 353 HB3 GLU 47 1HB GLU 47 -14.411 4.455 -25.972 354 HG2 GLU 47 2HG GLU 47 -15.110 4.666 -23.690 355 HG3 GLU 47 1HG GLU 47 -13.606 5.478 -23.260 356 H GLU 48 H GLU 48 -14.234 1.863 -26.323 357 HA GLU 48 HA GLU 48 -12.319 0.429 -27.698 358 HB2 GLU 48 2HB GLU 48 -14.118 -0.019 -29.383 359 HB3 GLU 48 1HB GLU 48 -14.595 -0.317 -27.719 360 HG2 GLU 48 2HG GLU 48 -15.735 1.867 -27.685 361 HG3 GLU 48 1HG GLU 48 -15.299 2.095 -29.379 362 H ASP 49 H ASP 49 -13.967 3.380 -28.693 363 HA ASP 49 HA ASP 49 -11.576 4.404 -29.866 364 HB2 ASP 49 2HB ASP 49 -12.342 3.068 -31.777 365 HB3 ASP 49 1HB ASP 49 -13.916 3.850 -31.703 366 H GLY 50 H GLY 50 -11.606 6.341 -29.017 367 HA2 GLY 50 2HA GLY 50 -13.217 8.421 -29.616 368 HA3 GLY 50 1HA GLY 50 -14.117 7.614 -28.341 369 H GLY 51 H GLY 51 -11.482 6.770 -27.099 370 HA2 GLY 51 2HA GLY 51 -9.651 8.586 -26.512 371 HA3 GLY 51 1HA GLY 51 -11.029 9.276 -25.672 372 H ALA 52 H ALA 52 -8.443 8.169 -24.725 373 HA ALA 52 HA ALA 52 -9.378 6.028 -22.979 374 HB1 ALA 52 3HB ALA 52 -6.608 7.184 -23.309 375 HB2 ALA 52 1HB ALA 52 -7.205 5.703 -24.058 376 HB3 ALA 52 2HB ALA 52 -7.036 5.797 -22.305 377 H HIS 53 H HIS 53 -9.022 6.211 -20.651 378 HA HIS 53 HA HIS 53 -9.177 9.012 -19.750 379 HD1 HIS 53 1HD HIS 53 -12.270 10.119 -19.295 380 HD2 HIS 53 2HD HIS 53 -12.008 6.599 -21.489 381 HE1 HIS 53 1HE HIS 53 -13.749 10.450 -21.289 382 HE2 HIS 53 2HE HIS 53 -13.775 8.215 -22.469 383 HB2 HIS 53 2HB HIS 53 -10.927 6.720 -18.848 384 HB3 HIS 53 1HB HIS 53 -10.925 8.327 -18.134 385 H ASN 54 H ASN 54 -7.690 9.441 -18.249 386 HA ASN 54 HA ASN 54 -6.352 7.307 -16.813 387 HB2 ASN 54 2HB ASN 54 -5.142 9.348 -17.657 388 HB3 ASN 54 1HB ASN 54 -6.050 10.307 -16.494 389 HD21 ASN 54 2HD2 ASN 54 -2.640 9.204 -15.253 390 HD22 ASN 54 1HD2 ASN 54 -3.158 9.800 -16.789 391 H GLN 55 H GLN 55 -7.198 6.484 -14.985 392 HA GLN 55 HA GLN 55 -9.023 8.199 -13.447 393 HB2 GLN 55 2HB GLN 55 -10.379 6.813 -14.888 394 HB3 GLN 55 1HB GLN 55 -9.526 5.369 -14.365 395 HG2 GLN 55 2HG GLN 55 -10.432 5.590 -12.142 396 HG3 GLN 55 1HG GLN 55 -11.206 7.112 -12.579 397 HE21 GLN 55 2HE2 GLN 55 -12.850 3.555 -13.626 398 HE22 GLN 55 1HE2 GLN 55 -11.253 3.656 -12.980 399 H CYS 56 H CYS 56 -8.471 8.306 -11.396 400 HA CYS 56 HA CYS 56 -6.894 6.223 -10.145 401 HG CYS 56 HG CYS 56 -5.680 8.674 -10.925 402 HB2 CYS 56 2HB CYS 56 -8.151 8.739 -9.022 403 HB3 CYS 56 1HB CYS 56 -7.121 7.644 -8.105 404 H LYS 57 H LYS 57 -7.958 4.382 -9.750 405 HA LYS 57 HA LYS 57 -10.817 4.384 -9.411 406 HB2 LYS 57 2HB LYS 57 -10.487 1.879 -9.294 407 HB3 LYS 57 1HB LYS 57 -9.971 2.655 -10.783 408 HG2 LYS 57 2HG LYS 57 -7.648 2.622 -9.963 409 HG3 LYS 57 1HG LYS 57 -8.196 1.751 -8.527 410 HD2 LYS 57 2HD LYS 57 -8.912 -0.104 -9.851 411 HD3 LYS 57 1HD LYS 57 -8.619 0.785 -11.347 412 HE2 LYS 57 2HE LYS 57 -6.221 0.867 -10.796 413 HE3 LYS 57 1HE LYS 57 -6.539 -0.086 -9.347 414 HZ1 LYS 57 3HZ LYS 57 -7.297 -1.895 -10.705 415 HZ2 LYS 57 1HZ LYS 57 -5.752 -1.441 -11.219 416 HZ3 LYS 57 2HZ LYS 57 -7.113 -0.989 -12.124 417 H LEU 58 H LEU 58 -8.529 5.147 -7.355 418 HA LEU 58 HA LEU 58 -9.768 3.778 -5.078 419 HG LEU 58 HG LEU 58 -8.207 4.483 -2.777 420 HB2 LEU 58 2HB LEU 58 -7.172 3.926 -5.563 421 HB3 LEU 58 1HB LEU 58 -7.343 5.506 -4.816 422 HD11 LEU 58 1HD1 LEU 58 -9.375 2.614 -3.750 423 HD12 LEU 58 2HD1 LEU 58 -8.210 2.020 -2.565 424 HD13 LEU 58 3HD1 LEU 58 -7.858 1.902 -4.292 425 HD21 LEU 58 3HD2 LEU 58 -5.675 3.139 -3.727 426 HD22 LEU 58 1HD2 LEU 58 -6.183 3.336 -2.049 427 HD23 LEU 58 2HD2 LEU 58 -5.779 4.751 -3.021 428 H CYS 59 H CYS 59 -10.552 6.189 -6.806 429 HA CYS 59 HA CYS 59 -11.525 7.804 -4.604 430 HG CYS 59 HG CYS 59 -12.290 10.531 -5.891 431 HB2 CYS 59 2HB CYS 59 -9.422 8.908 -5.152 432 HB3 CYS 59 1HB CYS 59 -9.871 8.975 -6.853 433 H GLY 60 H GLY 60 -11.374 7.264 -8.101 434 HA2 GLY 60 2HA GLY 60 -13.440 6.700 -9.247 435 HA3 GLY 60 1HA GLY 60 -14.267 7.850 -8.204 436 H ALA 61 H ALA 61 -11.569 9.442 -8.787 437 HA ALA 61 HA ALA 61 -12.803 11.129 -10.758 438 HB1 ALA 61 3HB ALA 61 -11.557 12.098 -8.895 439 HB2 ALA 61 1HB ALA 61 -10.861 12.575 -10.444 440 HB3 ALA 61 2HB ALA 61 -10.080 11.327 -9.473 441 H SER 62 H SER 62 -12.247 11.424 -12.853 442 HA SER 62 HA SER 62 -9.981 9.954 -13.959 443 HG SER 62 HG SER 62 -13.542 9.933 -14.090 444 HB2 SER 62 2HB SER 62 -11.428 9.041 -15.779 445 HB3 SER 62 1HB SER 62 -11.832 8.391 -14.190 446 H VAL 63 H VAL 63 -9.317 10.743 -16.031 447 HA VAL 63 HA VAL 63 -10.630 13.112 -17.088 448 HB VAL 63 HB VAL 63 -9.124 13.933 -15.262 449 HG11 VAL 63 1HG1 VAL 63 -6.699 13.882 -15.619 450 HG12 VAL 63 2HG1 VAL 63 -6.940 12.837 -17.020 451 HG13 VAL 63 3HG1 VAL 63 -7.381 12.269 -15.408 452 HG21 VAL 63 3HG2 VAL 63 -8.014 15.684 -16.584 453 HG22 VAL 63 1HG2 VAL 63 -9.685 15.420 -17.086 454 HG23 VAL 63 2HG2 VAL 63 -8.360 14.774 -18.055 455 HA PRO 64 HA PRO 64 -9.192 11.629 -21.121 456 HB2 PRO 64 1HB PRO 64 -9.089 13.525 -22.481 457 HB3 PRO 64 2HB PRO 64 -8.328 14.506 -21.219 458 HG2 PRO 64 2HG PRO 64 -10.535 15.235 -21.036 459 HG3 PRO 64 1HG PRO 64 -11.189 13.657 -21.510 460 HD2 PRO 64 2HD PRO 64 -10.320 14.611 -18.850 461 HD3 PRO 64 1HD PRO 64 -11.459 13.318 -19.271 462 H TRP 65 H TRP 65 -7.343 10.599 -21.524 463 HA TRP 65 HA TRP 65 -5.181 10.765 -19.727 464 HD1 TRP 65 HD TRP 65 -7.199 9.971 -23.300 465 HE1 TRP 65 1HE TRP 65 -6.522 9.548 -25.752 466 HE3 TRP 65 3HE TRP 65 -2.412 8.351 -22.540 467 HZ2 TRP 65 2HZ TRP 65 -4.252 8.651 -27.160 468 HZ3 TRP 65 3HZ TRP 65 -1.057 7.731 -24.492 469 HH2 TRP 65 HH TRP 65 -1.955 7.876 -26.752 470 HB2 TRP 65 2HB TRP 65 -4.152 9.035 -21.044 471 HB3 TRP 65 1HB TRP 65 -5.879 8.712 -20.958 472 H LEU 66 H LEU 66 -5.819 12.393 -22.695 473 HA LEU 66 HA LEU 66 -3.013 13.064 -23.095 474 HG LEU 66 HG LEU 66 -3.206 15.038 -25.319 475 HB2 LEU 66 2HB LEU 66 -4.638 12.404 -24.953 476 HB3 LEU 66 1HB LEU 66 -5.359 13.986 -24.741 477 HD11 LEU 66 1HD1 LEU 66 -1.704 13.286 -24.571 478 HD12 LEU 66 2HD1 LEU 66 -1.418 13.650 -26.273 479 HD13 LEU 66 3HD1 LEU 66 -2.315 12.201 -25.820 480 HD21 LEU 66 3HD2 LEU 66 -4.876 14.643 -27.052 481 HD22 LEU 66 1HD2 LEU 66 -4.204 13.039 -27.346 482 HD23 LEU 66 2HD2 LEU 66 -3.243 14.476 -27.697 483 H GLN 67 H GLN 67 -5.054 14.144 -20.943 484 HA GLN 67 HA GLN 67 -4.451 16.979 -21.439 485 HB2 GLN 67 2HB GLN 67 -6.856 15.947 -20.778 486 HB3 GLN 67 1HB GLN 67 -6.221 16.279 -19.171 487 HG2 GLN 67 2HG GLN 67 -6.647 18.233 -21.418 488 HG3 GLN 67 1HG GLN 67 -7.474 18.176 -19.863 489 HE21 GLN 67 2HE2 GLN 67 -5.011 19.951 -18.130 490 HE22 GLN 67 1HE2 GLN 67 -6.445 18.985 -18.036 491 H THR 68 H THR 68 -4.798 14.954 -18.490 492 HA THR 68 HA THR 68 -2.151 15.775 -17.666 493 HB THR 68 HB THR 68 -3.092 17.651 -16.754 494 HG1 THR 68 1HG THR 68 -2.387 17.241 -14.829 495 HG21 THR 68 3HG2 THR 68 -5.407 17.273 -17.277 496 HG22 THR 68 1HG2 THR 68 -5.276 17.743 -15.583 497 HG23 THR 68 2HG2 THR 68 -5.543 16.056 -16.012 498 H GLY 69 H GLY 69 -4.745 14.686 -15.493 499 HA2 GLY 69 2HA GLY 69 -5.044 12.376 -14.858 500 HA3 GLY 69 1HA GLY 69 -3.364 12.098 -15.301 501 H ASP 70 H ASP 70 -2.837 14.820 -13.965 502 HA ASP 70 HA ASP 70 -2.548 13.733 -11.242 503 HB2 ASP 70 2HB ASP 70 -0.446 14.302 -12.363 504 HB3 ASP 70 1HB ASP 70 -1.025 15.936 -12.661 505 H GLU 71 H GLU 71 -3.936 16.265 -13.123 506 HA GLU 71 HA GLU 71 -4.236 18.169 -11.008 507 HB2 GLU 71 2HB GLU 71 -3.998 18.785 -13.390 508 HB3 GLU 71 1HB GLU 71 -5.564 18.061 -13.721 509 HG2 GLU 71 2HG GLU 71 -6.612 19.695 -12.212 510 HG3 GLU 71 1HG GLU 71 -5.032 20.435 -11.950 511 H ILE 72 H ILE 72 -5.870 15.324 -11.613 512 HA ILE 72 HA ILE 72 -8.564 16.146 -11.314 513 HB ILE 72 HB ILE 72 -9.008 13.748 -10.703 514 HG12 ILE 72 2HG1 ILE 72 -6.051 13.466 -11.292 515 HG13 ILE 72 1HG1 ILE 72 -6.810 13.233 -9.721 516 HG21 ILE 72 1HG2 ILE 72 -7.497 14.339 -13.237 517 HG22 ILE 72 2HG2 ILE 72 -9.225 14.560 -12.965 518 HG23 ILE 72 3HG2 ILE 72 -8.533 12.938 -12.979 519 HD11 ILE 72 3HD1 ILE 72 -7.263 11.577 -12.193 520 HD12 ILE 72 1HD1 ILE 72 -8.100 11.360 -10.655 521 HD13 ILE 72 2HD1 ILE 72 -6.359 11.103 -10.753 522 H LYS 73 H LYS 73 -9.865 16.331 -9.586 523 HA LYS 73 HA LYS 73 -8.504 16.829 -7.075 524 HB2 LYS 73 2HB LYS 73 -11.399 17.247 -7.850 525 HB3 LYS 73 1HB LYS 73 -10.627 17.841 -6.384 526 HG2 LYS 73 2HG LYS 73 -9.910 18.638 -9.200 527 HG3 LYS 73 1HG LYS 73 -10.835 19.603 -8.047 528 HD2 LYS 73 2HD LYS 73 -8.952 19.823 -6.601 529 HD3 LYS 73 1HD LYS 73 -8.035 18.628 -7.519 530 HE2 LYS 73 2HE LYS 73 -7.928 20.126 -9.420 531 HE3 LYS 73 1HE LYS 73 -8.940 21.303 -8.585 532 HZ1 LYS 73 3HZ LYS 73 -6.268 20.408 -7.631 533 HZ2 LYS 73 1HZ LYS 73 -7.227 21.639 -6.964 534 HZ3 LYS 73 2HZ LYS 73 -6.544 21.833 -8.503 535 H HIS 74 H HIS 74 -8.275 15.335 -5.601 536 HA HIS 74 HA HIS 74 -9.721 12.862 -5.713 537 HD1 HIS 74 1HD HIS 74 -6.493 15.432 -4.164 538 HD2 HIS 74 2HD HIS 74 -8.497 13.084 -1.376 539 HE1 HIS 74 1HE HIS 74 -6.075 16.514 -1.932 540 HE2 HIS 74 2HE HIS 74 -7.512 15.224 -0.307 541 HB2 HIS 74 2HB HIS 74 -8.256 12.117 -3.971 542 HB3 HIS 74 1HB HIS 74 -7.286 13.099 -5.061 543 H ALA 75 H ALA 75 -10.785 11.921 -3.819 544 HA ALA 75 HA ALA 75 -12.277 13.879 -2.236 545 HB1 ALA 75 3HB ALA 75 -13.566 12.063 -3.249 546 HB2 ALA 75 1HB ALA 75 -13.613 11.955 -1.490 547 HB3 ALA 75 2HB ALA 75 -12.569 10.873 -2.414 548 H ASP 76 H ASP 76 -11.878 14.167 -0.055 549 HA ASP 76 HA ASP 76 -9.307 13.260 0.836 550 HB2 ASP 76 2HB ASP 76 -11.424 14.992 2.104 551 HB3 ASP 76 1HB ASP 76 -9.909 14.593 2.896 552 H ASP 77 H ASP 77 -12.287 11.878 0.904 553 HA ASP 77 HA ASP 77 -12.085 10.554 3.466 554 HB2 ASP 77 2HB ASP 77 -14.278 11.122 2.540 555 HB3 ASP 77 1HB ASP 77 -13.959 10.129 1.125 556 H CYS 78 H CYS 78 -10.722 10.094 0.404 557 HA CYS 78 HA CYS 78 -10.754 7.218 0.392 558 HG CYS 78 HG CYS 78 -8.967 10.696 -1.005 559 HB2 CYS 78 2HB CYS 78 -9.408 7.359 -1.603 560 HB3 CYS 78 1HB CYS 78 -10.668 8.583 -1.701 561 HA PRO 79 HA PRO 79 -7.285 6.400 2.935 562 HB2 PRO 79 1HB PRO 79 -7.794 4.181 2.738 563 HB3 PRO 79 2HB PRO 79 -6.299 4.141 1.796 564 HG2 PRO 79 2HG PRO 79 -7.425 4.210 -0.233 565 HG3 PRO 79 1HG PRO 79 -8.596 3.303 0.745 566 HD2 PRO 79 2HD PRO 79 -9.252 5.582 -0.562 567 HD3 PRO 79 1HD PRO 79 -9.999 5.119 0.980 568 H VAL 80 H VAL 80 -6.871 7.388 -0.245 569 HA VAL 80 HA VAL 80 -4.115 6.954 -0.672 570 HB VAL 80 HB VAL 80 -5.795 9.252 -1.707 571 HG11 VAL 80 1HG1 VAL 80 -4.168 9.340 -3.528 572 HG12 VAL 80 2HG1 VAL 80 -3.238 8.048 -2.769 573 HG13 VAL 80 3HG1 VAL 80 -3.390 9.613 -1.969 574 HG21 VAL 80 3HG2 VAL 80 -6.147 7.865 -3.694 575 HG22 VAL 80 1HG2 VAL 80 -6.812 7.102 -2.250 576 HG23 VAL 80 2HG2 VAL 80 -5.281 6.537 -2.921 577 H VAL 81 H VAL 81 -5.907 9.408 1.063 578 HA VAL 81 HA VAL 81 -3.855 11.290 1.437 579 HB VAL 81 HB VAL 81 -6.132 10.674 3.340 580 HG11 VAL 81 1HG1 VAL 81 -4.416 12.085 4.326 581 HG12 VAL 81 2HG1 VAL 81 -5.886 13.011 4.014 582 HG13 VAL 81 3HG1 VAL 81 -4.497 13.170 2.940 583 HG21 VAL 81 3HG2 VAL 81 -7.371 12.408 2.152 584 HG22 VAL 81 1HG2 VAL 81 -6.940 11.085 1.066 585 HG23 VAL 81 2HG2 VAL 81 -6.032 12.597 1.020 586 H ILE 82 H ILE 82 -4.890 8.548 3.431 587 HA ILE 82 HA ILE 82 -3.002 8.901 5.489 588 HB ILE 82 HB ILE 82 -4.326 6.335 4.585 589 HG12 ILE 82 2HG1 ILE 82 -5.990 8.026 5.116 590 HG13 ILE 82 1HG1 ILE 82 -5.964 6.799 6.378 591 HG21 ILE 82 1HG2 ILE 82 -3.035 7.041 7.212 592 HG22 ILE 82 2HG2 ILE 82 -2.418 5.903 6.015 593 HG23 ILE 82 3HG2 ILE 82 -3.921 5.554 6.872 594 HD11 ILE 82 3HD1 ILE 82 -4.633 9.492 6.548 595 HD12 ILE 82 1HD1 ILE 82 -4.708 8.278 7.825 596 HD13 ILE 82 2HD1 ILE 82 -6.185 9.066 7.269 597 H ALA 83 H ALA 83 -2.955 7.019 2.497 598 HA ALA 83 HA ALA 83 -0.539 5.668 2.879 599 HB1 ALA 83 3HB ALA 83 -2.146 5.116 1.097 600 HB2 ALA 83 1HB ALA 83 -0.510 5.333 0.476 601 HB3 ALA 83 2HB ALA 83 -1.709 6.607 0.261 602 H LYS 84 H LYS 84 -1.202 8.819 1.393 603 HA LYS 84 HA LYS 84 1.426 9.427 0.632 604 HB2 LYS 84 2HB LYS 84 -1.035 11.030 1.131 605 HB3 LYS 84 1HB LYS 84 0.498 11.884 1.028 606 HG2 LYS 84 2HG LYS 84 0.885 10.979 -1.188 607 HG3 LYS 84 1HG LYS 84 -0.609 10.044 -1.080 608 HD2 LYS 84 2HD LYS 84 -1.941 12.015 -1.063 609 HD3 LYS 84 1HD LYS 84 -0.526 13.044 -0.840 610 HE2 LYS 84 2HE LYS 84 -1.004 11.339 -3.281 611 HE3 LYS 84 1HE LYS 84 -1.476 13.033 -3.157 612 HZ1 LYS 84 3HZ LYS 84 0.653 12.790 -4.274 613 HZ2 LYS 84 1HZ LYS 84 1.302 11.988 -2.930 614 HZ3 LYS 84 2HZ LYS 84 0.851 13.617 -2.807 615 H GLN 85 H GLN 85 -0.282 9.962 3.686 616 HA GLN 85 HA GLN 85 1.644 11.514 4.970 617 HB2 GLN 85 2HB GLN 85 -0.256 9.477 6.141 618 HB3 GLN 85 1HB GLN 85 0.616 10.692 7.052 619 HG2 GLN 85 2HG GLN 85 -0.572 12.464 5.931 620 HG3 GLN 85 1HG GLN 85 -1.389 11.290 4.897 621 HE21 GLN 85 2HE2 GLN 85 -3.484 12.334 7.878 622 HE22 GLN 85 1HE2 GLN 85 -2.527 13.239 6.749 623 H ILE 86 H ILE 86 1.243 8.006 4.800 624 HA ILE 86 HA ILE 86 3.339 7.327 6.545 625 HB ILE 86 HB ILE 86 2.167 5.738 4.259 626 HG12 ILE 86 2HG1 ILE 86 1.547 5.703 7.226 627 HG13 ILE 86 1HG1 ILE 86 0.525 6.411 5.977 628 HG21 ILE 86 1HG2 ILE 86 4.346 4.869 4.901 629 HG22 ILE 86 2HG2 ILE 86 3.065 3.770 5.407 630 HG23 ILE 86 3HG2 ILE 86 3.846 4.816 6.592 631 HD11 ILE 86 3HD1 ILE 86 -0.311 4.248 6.659 632 HD12 ILE 86 1HD1 ILE 86 1.233 3.497 6.256 633 HD13 ILE 86 2HD1 ILE 86 0.232 4.193 4.983 634 H LEU 87 H LEU 87 3.265 7.469 2.980 635 HA LEU 87 HA LEU 87 6.000 6.722 2.722 636 HG LEU 87 HG LEU 87 3.040 8.330 1.252 637 HB2 LEU 87 2HB LEU 87 5.718 7.361 0.336 638 HB3 LEU 87 1HB LEU 87 4.534 6.213 0.916 639 HD11 LEU 87 1HD1 LEU 87 4.757 9.982 0.766 640 HD12 LEU 87 2HD1 LEU 87 3.454 10.068 -0.418 641 HD13 LEU 87 3HD1 LEU 87 4.981 9.295 -0.845 642 HD21 LEU 87 3HD2 LEU 87 2.582 6.481 -0.274 643 HD22 LEU 87 1HD2 LEU 87 3.637 7.218 -1.482 644 HD23 LEU 87 2HD2 LEU 87 2.155 8.035 -0.989 645 H SER 88 H SER 88 4.449 9.710 3.369 646 HA SER 88 HA SER 88 6.686 11.326 2.505 647 HG SER 88 HG SER 88 5.090 14.103 3.987 648 HB2 SER 88 2HB SER 88 4.304 12.158 2.513 649 HB3 SER 88 1HB SER 88 4.366 12.144 4.274 650 H SER 89 H SER 89 5.332 10.087 5.519 651 HA SER 89 HA SER 89 6.196 9.775 7.589 652 HG SER 89 HG SER 89 7.012 8.169 5.986 653 HB2 SER 89 2HB SER 89 8.888 10.103 6.235 654 HB3 SER 89 1HB SER 89 8.583 9.333 7.792 655 H ARG 90 H ARG 90 5.645 12.496 6.534 656 HA ARG 90 HA ARG 90 7.361 14.038 8.357 657 HE ARG 90 HE ARG 90 8.437 18.658 6.987 658 HB2 ARG 90 2HB ARG 90 7.851 14.484 5.964 659 HB3 ARG 90 1HB ARG 90 6.181 14.983 5.741 660 HG2 ARG 90 2HG ARG 90 6.511 16.809 7.327 661 HG3 ARG 90 1HG ARG 90 8.190 16.312 7.543 662 HD2 ARG 90 2HD ARG 90 8.586 16.701 5.144 663 HD3 ARG 90 1HD ARG 90 6.918 17.254 4.979 664 HH11 ARG 90 1HH1 ARG 90 7.534 18.562 3.601 665 HH12 ARG 90 2HH1 ARG 90 7.832 20.252 3.344 666 HH21 ARG 90 2HH2 ARG 90 8.612 21.559 5.072 667 HH22 ARG 90 1HH2 ARG 90 8.869 20.864 6.648 668 HA PRO 91 HA PRO 91 3.176 14.861 9.876 669 HB2 PRO 91 1HB PRO 91 3.361 13.751 11.838 670 HB3 PRO 91 2HB PRO 91 4.245 15.123 12.502 671 HG2 PRO 91 2HG PRO 91 6.036 13.724 12.580 672 HG3 PRO 91 1HG PRO 91 5.260 12.551 11.504 673 HD2 PRO 91 2HD PRO 91 6.938 14.931 10.825 674 HD3 PRO 91 1HD PRO 91 6.868 13.336 10.041 675 H LYS 92 H LYS 92 2.785 16.910 9.154 676 HA LYS 92 HA LYS 92 4.269 19.140 10.307 677 HB2 LYS 92 2HB LYS 92 2.779 18.692 7.838 678 HB3 LYS 92 1HB LYS 92 2.376 20.221 8.602 679 HG2 LYS 92 2HG LYS 92 5.159 19.314 7.891 680 HG3 LYS 92 1HG LYS 92 4.176 20.440 6.952 681 HD2 LYS 92 2HD LYS 92 4.067 21.906 8.974 682 HD3 LYS 92 1HD LYS 92 5.227 20.828 9.752 683 HE2 LYS 92 2HE LYS 92 6.833 21.277 7.945 684 HE3 LYS 92 1HE LYS 92 5.677 22.383 7.205 685 HZ1 LYS 92 3HZ LYS 92 6.984 22.690 9.857 686 HZ2 LYS 92 1HZ LYS 92 5.754 23.706 9.273 687 HZ3 LYS 92 2HZ LYS 92 7.247 23.640 8.475 688 H LEU 93 H LEU 93 3.554 19.605 12.282 689 HA LEU 93 HA LEU 93 2.314 20.724 13.811 690 HG LEU 93 HG LEU 93 -0.721 21.461 13.830 691 HB2 LEU 93 2HB LEU 93 1.549 22.137 11.957 692 HB3 LEU 93 1HB LEU 93 0.266 20.996 11.612 693 HD11 LEU 93 1HD1 LEU 93 0.069 23.411 15.094 694 HD12 LEU 93 2HD1 LEU 93 1.444 23.549 13.997 695 HD13 LEU 93 3HD1 LEU 93 1.277 22.127 15.026 696 HD21 LEU 93 3HD2 LEU 93 -0.269 23.888 12.101 697 HD22 LEU 93 1HD2 LEU 93 -1.555 23.699 13.291 698 HD23 LEU 93 2HD2 LEU 93 -1.514 22.661 11.865 699 H HIS 94 H HIS 94 -0.100 18.918 11.912 700 HA HIS 94 HA HIS 94 -0.598 17.081 14.066 701 HD1 HIS 94 1HD HIS 94 -4.663 17.740 12.815 702 HD2 HIS 94 2HD HIS 94 -2.850 16.726 16.418 703 HE1 HIS 94 1HE HIS 94 -6.261 16.170 13.959 704 HE2 HIS 94 2HE HIS 94 -5.175 15.608 16.164 705 HB2 HIS 94 2HB HIS 94 -1.875 18.943 14.931 706 HB3 HIS 94 1HB HIS 94 -2.657 19.190 13.374 707 H ALA 95 H ALA 95 -1.629 18.488 11.009 708 HA ALA 95 HA ALA 95 -2.391 17.597 9.069 709 HB1 ALA 95 3HB ALA 95 -1.344 14.984 10.164 710 HB2 ALA 95 1HB ALA 95 -0.401 16.160 9.249 711 HB3 ALA 95 2HB ALA 95 -1.750 15.323 8.481 712 H VAL 96 H VAL 96 -3.568 15.055 8.588 713 HA VAL 96 HA VAL 96 -5.958 15.243 10.275 714 HB VAL 96 HB VAL 96 -6.536 15.831 8.018 715 HG11 VAL 96 1HG1 VAL 96 -4.664 14.825 6.834 716 HG12 VAL 96 2HG1 VAL 96 -6.197 14.333 6.115 717 HG13 VAL 96 3HG1 VAL 96 -5.309 13.215 7.150 718 HG21 VAL 96 3HG2 VAL 96 -7.423 13.022 8.654 719 HG22 VAL 96 1HG2 VAL 96 -8.192 14.090 7.479 720 HG23 VAL 96 2HG2 VAL 96 -8.186 14.519 9.189 721 HA MET 1 HA MET 1 -12.586 -0.889 -14.952 722 H1 MET 1 1H MET 1 -11.040 -1.681 -13.275 723 H2 MET 1 2H MET 1 -10.232 -1.035 -14.613 724 H3 MET 1 3H MET 1 -10.329 -2.714 -14.407 725 HB2 MET 1 2HB MET 1 -11.217 -1.321 -16.923 726 HB3 MET 1 1HB MET 1 -11.268 -3.051 -16.615 727 HG2 MET 1 2HG MET 1 -12.779 -2.442 -18.411 728 HG3 MET 1 1HG MET 1 -13.672 -3.059 -17.024 729 HE1 MET 1 3HE MET 1 -16.097 -0.393 -18.578 730 HE2 MET 1 1HE MET 1 -15.911 -2.072 -18.067 731 HE3 MET 1 2HE MET 1 -14.988 -1.462 -19.438 732 H GLY 2 H GLY 2 -14.430 -1.539 -14.124 733 HA2 GLY 2 2HA GLY 2 -15.238 -4.291 -14.145 734 HA3 GLY 2 1HA GLY 2 -14.869 -3.715 -12.522 735 H SER 3 H SER 3 -17.159 -4.113 -12.071 736 HA SER 3 HA SER 3 -18.946 -2.125 -13.275 737 HG SER 3 HG SER 3 -21.305 -3.228 -13.470 738 HB2 SER 3 2HB SER 3 -19.615 -4.570 -13.216 739 HB3 SER 3 1HB SER 3 -19.723 -4.418 -11.462 740 H SER 4 H SER 4 -19.278 -0.305 -12.205 741 HA SER 4 HA SER 4 -18.363 0.135 -9.561 742 HG SER 4 HG SER 4 -20.980 1.395 -11.748 743 HB2 SER 4 2HB SER 4 -19.870 2.277 -9.924 744 HB3 SER 4 1HB SER 4 -18.365 2.074 -10.822 745 H HIS 5 H HIS 5 -19.526 0.410 -7.638 746 HA HIS 5 HA HIS 5 -22.359 -0.123 -7.609 747 HD1 HIS 5 1HD HIS 5 -21.337 -3.649 -4.608 748 HD2 HIS 5 2HD HIS 5 -18.503 -1.124 -6.311 749 HE1 HIS 5 1HE HIS 5 -19.242 -3.975 -3.262 750 HE2 HIS 5 2HE HIS 5 -17.638 -2.248 -4.146 751 HB2 HIS 5 2HB HIS 5 -22.330 -2.116 -6.302 752 HB3 HIS 5 1HB HIS 5 -21.255 -2.402 -7.662 753 H HIS 6 H HIS 6 -23.358 0.438 -5.660 754 HA HIS 6 HA HIS 6 -21.637 1.545 -3.565 755 HD1 HIS 6 1HD HIS 6 -25.321 4.275 -3.329 756 HD2 HIS 6 2HD HIS 6 -24.403 2.253 -6.853 757 HE1 HIS 6 1HE HIS 6 -27.437 4.293 -4.695 758 HE2 HIS 6 2HE HIS 6 -26.887 2.990 -6.790 759 HB2 HIS 6 2HB HIS 6 -22.963 3.582 -3.400 760 HB3 HIS 6 1HB HIS 6 -22.305 3.437 -5.023 761 H HIS 7 H HIS 7 -22.576 1.597 -1.499 762 HA HIS 7 HA HIS 7 -25.281 0.640 -1.124 763 HD1 HIS 7 1HD HIS 7 -24.988 -3.508 -0.904 764 HD2 HIS 7 2HD HIS 7 -25.962 -0.372 1.649 765 HE1 HIS 7 1HE HIS 7 -26.951 -4.313 0.444 766 HE2 HIS 7 2HE HIS 7 -27.689 -2.296 1.760 767 HB2 HIS 7 2HB HIS 7 -23.733 -1.412 -1.438 768 HB3 HIS 7 1HB HIS 7 -23.099 -0.998 0.150 769 H HIS 8 H HIS 8 -22.230 0.769 0.726 770 HA HIS 8 HA HIS 8 -23.225 2.953 2.328 771 HD1 HIS 8 1HD HIS 8 -24.974 3.178 4.471 772 HD2 HIS 8 2HD HIS 8 -21.618 1.345 6.113 773 HE1 HIS 8 1HE HIS 8 -24.691 4.200 6.754 774 HE2 HIS 8 2HE HIS 8 -22.776 2.937 7.799 775 HB2 HIS 8 2HB HIS 8 -24.183 0.832 3.364 776 HB3 HIS 8 1HB HIS 8 -22.528 0.369 3.740 777 H HIS 9 H HIS 9 -21.539 4.246 2.254 778 HA HIS 9 HA HIS 9 -18.832 3.085 2.500 779 HD1 HIS 9 1HD HIS 9 -17.404 5.158 -1.093 780 HD2 HIS 9 2HD HIS 9 -16.826 5.367 3.019 781 HE1 HIS 9 1HE HIS 9 -15.006 5.834 -0.774 782 HE2 HIS 9 2HE HIS 9 -14.806 6.280 1.696 783 HB2 HIS 9 2HB HIS 9 -19.320 4.112 0.278 784 HB3 HIS 9 1HB HIS 9 -19.656 5.638 1.082 785 H HIS 10 H HIS 10 -18.096 3.449 4.507 786 HA HIS 10 HA HIS 10 -18.141 6.194 5.475 787 HD1 HIS 10 1HD HIS 10 -18.850 7.728 7.097 788 HD2 HIS 10 2HD HIS 10 -19.100 4.596 9.823 789 HE1 HIS 10 1HE HIS 10 -18.642 8.784 9.365 790 HE2 HIS 10 2HE HIS 10 -18.626 6.857 10.991 791 HB2 HIS 10 2HB HIS 10 -20.166 5.111 6.437 792 HB3 HIS 10 1HB HIS 10 -19.127 3.917 7.207 793 H SER 11 H SER 11 -16.001 6.418 5.349 794 HA SER 11 HA SER 11 -14.161 4.408 6.257 795 HG SER 11 HG SER 11 -13.809 6.817 3.545 796 HB2 SER 11 2HB SER 11 -13.575 7.300 5.578 797 HB3 SER 11 1HB SER 11 -12.437 5.954 5.586 798 H SER 12 H SER 12 -15.187 4.304 8.416 799 HA SER 12 HA SER 12 -14.683 6.496 10.220 800 HG SER 12 HG SER 12 -17.062 3.272 10.600 801 HB2 SER 12 2HB SER 12 -15.598 4.601 11.844 802 HB3 SER 12 1HB SER 12 -16.674 5.505 10.780 803 H GLY 13 H GLY 13 -13.017 6.705 11.567 804 HA2 GLY 13 2HA GLY 13 -11.542 4.946 12.964 805 HA3 GLY 13 1HA GLY 13 -10.823 4.833 11.360 806 H ARG 14 H ARG 14 -9.243 6.214 10.889 807 HA ARG 14 HA ARG 14 -8.034 8.126 10.712 808 HE ARG 14 HE ARG 14 -13.061 10.164 10.471 809 HB2 ARG 14 2HB ARG 14 -10.419 9.342 12.103 810 HB3 ARG 14 1HB ARG 14 -9.035 10.280 11.566 811 HG2 ARG 14 2HG ARG 14 -9.474 9.607 9.260 812 HG3 ARG 14 1HG ARG 14 -10.868 8.668 9.803 813 HD2 ARG 14 2HD ARG 14 -10.531 11.636 10.223 814 HD3 ARG 14 1HD ARG 14 -11.454 10.917 8.906 815 HH11 ARG 14 1HH1 ARG 14 -10.558 12.167 11.904 816 HH12 ARG 14 2HH1 ARG 14 -11.476 12.521 13.331 817 HH21 ARG 14 2HH2 ARG 14 -13.567 11.614 13.619 818 HH22 ARG 14 1HH2 ARG 14 -14.262 10.617 12.374 819 H GLU 15 H GLU 15 -7.698 6.327 13.029 820 HA GLU 15 HA GLU 15 -6.956 8.165 15.153 821 HB2 GLU 15 2HB GLU 15 -7.900 5.866 15.625 822 HB3 GLU 15 1HB GLU 15 -6.381 5.199 15.037 823 HG2 GLU 15 2HG GLU 15 -5.164 6.370 16.784 824 HG3 GLU 15 1HG GLU 15 -6.661 7.105 17.354 825 H ASN 16 H ASN 16 -5.520 9.358 13.773 826 HA ASN 16 HA ASN 16 -3.192 8.109 12.663 827 HB2 ASN 16 2HB ASN 16 -4.395 10.187 11.785 828 HB3 ASN 16 1HB ASN 16 -3.597 11.068 13.082 829 HD21 ASN 16 2HD2 ASN 16 -1.669 11.138 9.841 830 HD22 ASN 16 1HD2 ASN 16 -3.334 11.410 10.221 831 H LEU 17 H LEU 17 -1.548 7.469 13.847 832 HA LEU 17 HA LEU 17 -0.647 9.143 16.090 833 HG LEU 17 HG LEU 17 -1.006 6.548 18.633 834 HB2 LEU 17 2HB LEU 17 -1.925 6.807 16.465 835 HB3 LEU 17 1HB LEU 17 -0.293 6.204 16.276 836 HD11 LEU 17 1HD1 LEU 17 1.358 6.503 18.039 837 HD12 LEU 17 2HD1 LEU 17 1.043 7.597 19.385 838 HD13 LEU 17 3HD1 LEU 17 1.322 8.245 17.768 839 HD21 LEU 17 3HD2 LEU 17 -1.088 8.825 19.520 840 HD22 LEU 17 1HD2 LEU 17 -2.355 8.543 18.326 841 HD23 LEU 17 2HD2 LEU 17 -0.918 9.463 17.884 842 H TYR 18 H TYR 18 0.082 7.516 13.236 843 HA TYR 18 HA TYR 18 1.941 7.089 12.025 844 HD1 TYR 18 2HD TYR 18 3.328 8.509 10.358 845 HD2 TYR 18 1HD TYR 18 5.639 8.465 13.934 846 HE1 TYR 18 2HE TYR 18 5.385 8.371 9.020 847 HE2 TYR 18 1HE TYR 18 7.704 8.331 12.602 848 HH TYR 18 HH TYR 18 8.446 7.664 10.395 849 HB2 TYR 18 2HB TYR 18 2.492 9.424 12.675 850 HB3 TYR 18 1HB TYR 18 3.334 8.804 14.083 851 H PHE 19 H PHE 19 4.210 6.045 12.209 852 HA PHE 19 HA PHE 19 3.948 3.616 13.528 853 HD1 PHE 19 2HD PHE 19 4.965 1.647 11.817 854 HD2 PHE 19 1HD PHE 19 5.660 5.567 10.312 855 HE1 PHE 19 2HE PHE 19 4.243 0.911 9.585 856 HE2 PHE 19 1HE PHE 19 4.933 4.839 8.076 857 HZ PHE 19 HZ PHE 19 4.225 2.509 7.711 858 HB2 PHE 19 2HB PHE 19 6.427 4.970 12.459 859 HB3 PHE 19 1HB PHE 19 6.384 3.301 13.016 860 H GLN 20 H GLN 20 5.033 2.679 15.253 861 HA GLN 20 HA GLN 20 5.653 2.504 17.409 862 HB2 GLN 20 2HB GLN 20 7.738 3.592 16.487 863 HB3 GLN 20 1HB GLN 20 7.101 5.128 17.061 864 HG2 GLN 20 2HG GLN 20 7.090 4.285 19.343 865 HG3 GLN 20 1HG GLN 20 7.697 2.730 18.779 866 HE21 GLN 20 2HE2 GLN 20 10.169 5.897 19.264 867 HE22 GLN 20 1HE2 GLN 20 8.449 6.056 19.383 868 H GLY 21 H GLY 21 3.661 2.676 18.310 869 HA2 GLY 21 2HA GLY 21 2.736 4.175 20.181 870 HA3 GLY 21 1HA GLY 21 2.618 5.367 18.886 871 H MET 22 H MET 22 1.586 4.272 16.800 872 HA MET 22 HA MET 22 -1.033 3.399 17.456 873 HB2 MET 22 2HB MET 22 -1.302 2.927 15.043 874 HB3 MET 22 1HB MET 22 -0.621 4.523 15.316 875 HG2 MET 22 2HG MET 22 1.507 3.862 14.604 876 HG3 MET 22 1HG MET 22 1.108 2.150 14.723 877 HE1 MET 22 3HE MET 22 -0.830 4.861 11.523 878 HE2 MET 22 1HE MET 22 0.195 5.497 12.809 879 HE3 MET 22 2HE MET 22 -1.370 4.786 13.202 880 H THR 23 H THR 23 -1.796 1.487 17.871 881 HA THR 23 HA THR 23 0.001 -0.803 17.536 882 HB THR 23 HB THR 23 -1.455 -0.097 20.092 883 HG1 THR 23 1HG THR 23 0.296 1.307 19.810 884 HG21 THR 23 3HG2 THR 23 0.541 -2.255 19.445 885 HG22 THR 23 1HG2 THR 23 -1.170 -2.484 19.794 886 HG23 THR 23 2HG2 THR 23 -0.086 -1.894 21.053 887 H ASP 24 H ASP 24 -3.199 -0.141 18.998 888 HA ASP 24 HA ASP 24 -4.163 -2.687 18.084 889 HB2 ASP 24 2HB ASP 24 -4.807 -1.681 20.273 890 HB3 ASP 24 1HB ASP 24 -5.691 -0.433 19.400 891 H THR 25 H THR 25 -5.108 0.695 17.454 892 HA THR 25 HA THR 25 -6.951 -0.075 15.382 893 HB THR 25 HB THR 25 -5.984 2.734 15.785 894 HG1 THR 25 1HG THR 25 -6.982 2.888 17.687 895 HG21 THR 25 3HG2 THR 25 -7.634 2.309 14.036 896 HG22 THR 25 1HG2 THR 25 -8.355 3.243 15.346 897 HG23 THR 25 2HG2 THR 25 -8.691 1.517 15.204 898 H ALA 26 H ALA 26 -3.644 0.172 15.422 899 HA ALA 26 HA ALA 26 -3.001 1.627 13.120 900 HB1 ALA 26 3HB ALA 26 -1.346 0.921 14.785 901 HB2 ALA 26 1HB ALA 26 -0.877 0.442 13.154 902 HB3 ALA 26 2HB ALA 26 -1.545 -0.753 14.266 903 H ALA 27 H ALA 27 -4.031 -1.692 13.551 904 HA ALA 27 HA ALA 27 -3.380 -2.610 10.953 905 HB1 ALA 27 3HB ALA 27 -5.437 -3.675 12.885 906 HB2 ALA 27 1HB ALA 27 -3.736 -4.136 12.825 907 HB3 ALA 27 2HB ALA 27 -4.803 -4.524 11.476 908 H GLU 28 H GLU 28 -6.039 -0.796 12.223 909 HA GLU 28 HA GLU 28 -8.048 -1.554 10.397 910 HB2 GLU 28 2HB GLU 28 -8.009 -0.096 12.659 911 HB3 GLU 28 1HB GLU 28 -8.063 1.208 11.487 912 HG2 GLU 28 2HG GLU 28 -10.046 -1.041 11.740 913 HG3 GLU 28 1HG GLU 28 -10.285 0.621 12.265 914 H ASP 29 H ASP 29 -5.853 1.264 10.412 915 HA ASP 29 HA ASP 29 -6.886 2.197 7.906 916 HB2 ASP 29 2HB ASP 29 -4.607 3.109 9.648 917 HB3 ASP 29 1HB ASP 29 -4.919 3.830 8.071 918 H VAL 30 H VAL 30 -3.930 0.506 8.900 919 HA VAL 30 HA VAL 30 -2.650 0.556 6.394 920 HB VAL 30 HB VAL 30 -2.469 -1.549 8.562 921 HG11 VAL 30 1HG1 VAL 30 -0.345 -2.176 7.556 922 HG12 VAL 30 2HG1 VAL 30 -0.594 -1.000 6.266 923 HG13 VAL 30 3HG1 VAL 30 -1.668 -2.391 6.410 924 HG21 VAL 30 3HG2 VAL 30 -1.856 0.679 9.340 925 HG22 VAL 30 1HG2 VAL 30 -0.736 0.856 7.991 926 HG23 VAL 30 2HG2 VAL 30 -0.435 -0.359 9.235 927 H ARG 31 H ARG 31 -5.060 -1.632 7.759 928 HA ARG 31 HA ARG 31 -5.026 -3.562 5.713 929 HE ARG 31 HE ARG 31 -9.537 -3.118 7.768 930 HB2 ARG 31 2HB ARG 31 -6.098 -4.029 7.812 931 HB3 ARG 31 1HB ARG 31 -7.213 -2.690 7.599 932 HG2 ARG 31 2HG ARG 31 -8.237 -3.853 5.700 933 HG3 ARG 31 1HG ARG 31 -7.130 -5.208 5.953 934 HD2 ARG 31 2HD ARG 31 -9.357 -5.575 6.963 935 HD3 ARG 31 1HD ARG 31 -8.047 -5.610 8.143 936 HH11 ARG 31 1HH1 ARG 31 -8.724 -5.866 9.766 937 HH12 ARG 31 2HH1 ARG 31 -9.416 -5.187 11.207 938 HH21 ARG 31 2HH2 ARG 31 -10.393 -3.125 11.149 939 HH22 ARG 31 1HH2 ARG 31 -10.422 -2.203 9.668 940 H LYS 32 H LYS 32 -6.798 -0.522 6.046 941 HA LYS 32 HA LYS 32 -8.596 -0.971 3.927 942 HB2 LYS 32 2HB LYS 32 -7.653 1.596 5.197 943 HB3 LYS 32 1HB LYS 32 -8.916 1.526 3.978 944 HG2 LYS 32 2HG LYS 32 -10.117 -0.090 5.527 945 HG3 LYS 32 1HG LYS 32 -8.953 0.397 6.757 946 HD2 LYS 32 2HD LYS 32 -10.773 2.278 5.256 947 HD3 LYS 32 1HD LYS 32 -11.083 1.653 6.875 948 HE2 LYS 32 2HE LYS 32 -8.670 3.283 6.097 949 HE3 LYS 32 1HE LYS 32 -10.119 3.940 6.859 950 HZ1 LYS 32 3HZ LYS 32 -9.714 2.486 8.768 951 HZ2 LYS 32 1HZ LYS 32 -8.395 3.527 8.488 952 HZ3 LYS 32 2HZ LYS 32 -8.308 1.898 8.030 953 H ILE 33 H ILE 33 -5.394 0.560 3.985 954 HA ILE 33 HA ILE 33 -5.564 1.341 1.230 955 HB ILE 33 HB ILE 33 -3.155 1.850 1.395 956 HG12 ILE 33 2HG1 ILE 33 -3.404 0.884 4.250 957 HG13 ILE 33 1HG1 ILE 33 -2.541 0.040 2.969 958 HG21 ILE 33 1HG2 ILE 33 -3.353 3.641 3.076 959 HG22 ILE 33 2HG2 ILE 33 -4.841 2.897 3.663 960 HG23 ILE 33 3HG2 ILE 33 -4.765 3.542 2.024 961 HD11 ILE 33 3HD1 ILE 33 -1.030 1.269 4.433 962 HD12 ILE 33 1HD1 ILE 33 -1.861 2.769 4.028 963 HD13 ILE 33 2HD1 ILE 33 -0.980 1.888 2.781 964 H ALA 34 H ALA 34 -4.347 -1.428 2.979 965 HA ALA 34 HA ALA 34 -2.914 -2.580 0.810 966 HB1 ALA 34 3HB ALA 34 -2.475 -3.129 3.176 967 HB2 ALA 34 1HB ALA 34 -2.776 -4.560 2.189 968 HB3 ALA 34 2HB ALA 34 -4.038 -3.944 3.253 969 H THR 35 H THR 35 -6.237 -2.749 1.896 970 HA THR 35 HA THR 35 -7.047 -5.041 0.496 971 HB THR 35 HB THR 35 -8.704 -2.601 1.188 972 HG1 THR 35 1HG THR 35 -7.666 -3.636 2.999 973 HG21 THR 35 3HG2 THR 35 -9.812 -4.048 -0.451 974 HG22 THR 35 1HG2 THR 35 -10.611 -4.133 1.118 975 HG23 THR 35 2HG2 THR 35 -9.552 -5.443 0.596 976 H ALA 36 H ALA 36 -6.558 -1.746 -0.554 977 HA ALA 36 HA ALA 36 -8.010 -1.835 -2.970 978 HB1 ALA 36 3HB ALA 36 -6.683 0.110 -3.616 979 HB2 ALA 36 1HB ALA 36 -5.575 -0.197 -2.278 980 HB3 ALA 36 2HB ALA 36 -7.250 0.247 -1.952 981 H LEU 37 H LEU 37 -4.560 -2.422 -2.299 982 HA LEU 37 HA LEU 37 -3.982 -3.061 -5.012 983 HG LEU 37 HG LEU 37 -3.041 -3.377 -1.467 984 HB2 LEU 37 2HB LEU 37 -1.786 -3.776 -4.144 985 HB3 LEU 37 1HB LEU 37 -2.232 -2.159 -3.655 986 HD11 LEU 37 1HD1 LEU 37 -1.590 -5.263 -0.886 987 HD12 LEU 37 2HD1 LEU 37 -0.945 -5.268 -2.528 988 HD13 LEU 37 3HD1 LEU 37 -2.646 -5.643 -2.248 989 HD21 LEU 37 3HD2 LEU 37 -1.315 -1.661 -1.597 990 HD22 LEU 37 1HD2 LEU 37 -0.138 -2.874 -2.097 991 HD23 LEU 37 2HD2 LEU 37 -0.854 -2.951 -0.486 992 H LEU 38 H LEU 38 -5.093 -4.839 -2.264 993 HA LEU 38 HA LEU 38 -4.553 -7.443 -3.253 994 HG LEU 38 HG LEU 38 -5.617 -9.261 -1.927 995 HB2 LEU 38 2HB LEU 38 -5.155 -6.905 -0.890 996 HB3 LEU 38 1HB LEU 38 -6.786 -6.545 -1.416 997 HD11 LEU 38 1HD1 LEU 38 -6.913 -8.340 0.634 998 HD12 LEU 38 2HD1 LEU 38 -5.230 -8.832 0.437 999 HD13 LEU 38 3HD1 LEU 38 -6.526 -10.009 0.219 1000 HD21 LEU 38 3HD2 LEU 38 -7.752 -8.694 -2.975 1001 HD22 LEU 38 1HD2 LEU 38 -8.421 -8.278 -1.396 1002 HD23 LEU 38 2HD2 LEU 38 -7.958 -9.943 -1.746 1003 H LYS 39 H LYS 39 -7.188 -5.153 -3.635 1004 HA LYS 39 HA LYS 39 -8.939 -6.898 -5.015 1005 HB2 LYS 39 2HB LYS 39 -9.460 -4.707 -3.768 1006 HB3 LYS 39 1HB LYS 39 -8.954 -3.900 -5.244 1007 HG2 LYS 39 2HG LYS 39 -11.319 -4.069 -5.287 1008 HG3 LYS 39 1HG LYS 39 -10.688 -5.219 -6.465 1009 HD2 LYS 39 2HD LYS 39 -11.338 -6.067 -3.657 1010 HD3 LYS 39 1HD LYS 39 -12.587 -5.974 -4.891 1011 HE2 LYS 39 2HE LYS 39 -11.384 -7.571 -6.270 1012 HE3 LYS 39 1HE LYS 39 -10.062 -7.607 -5.105 1013 HZ1 LYS 39 3HZ LYS 39 -11.489 -9.520 -4.827 1014 HZ2 LYS 39 1HZ LYS 39 -12.849 -8.527 -4.612 1015 HZ3 LYS 39 2HZ LYS 39 -11.604 -8.524 -3.461 1016 H THR 40 H THR 40 -6.982 -4.146 -6.206 1017 HA THR 40 HA THR 40 -6.171 -5.617 -8.526 1018 HB THR 40 HB THR 40 -7.765 -3.122 -9.111 1019 HG1 THR 40 1HG THR 40 -8.682 -5.681 -8.615 1020 HG21 THR 40 3HG2 THR 40 -6.808 -5.406 -10.839 1021 HG22 THR 40 1HG2 THR 40 -6.129 -3.782 -10.790 1022 HG23 THR 40 2HG2 THR 40 -7.766 -4.035 -11.398 1023 H ALA 41 H ALA 41 -4.169 -5.106 -7.592 1024 HA ALA 41 HA ALA 41 -3.334 -2.482 -6.940 1025 HB1 ALA 41 3HB ALA 41 -1.102 -3.444 -6.753 1026 HB2 ALA 41 1HB ALA 41 -1.661 -4.914 -7.549 1027 HB3 ALA 41 2HB ALA 41 -2.303 -4.470 -5.966 1028 H ILE 42 H ILE 42 -3.570 -4.116 -9.944 1029 HA ILE 42 HA ILE 42 -1.804 -2.114 -11.193 1030 HB ILE 42 HB ILE 42 -1.962 -4.825 -12.451 1031 HG12 ILE 42 2HG1 ILE 42 -0.246 -4.147 -10.044 1032 HG13 ILE 42 1HG1 ILE 42 -1.523 -5.354 -10.098 1033 HG21 ILE 42 1HG2 ILE 42 0.309 -4.266 -13.144 1034 HG22 ILE 42 2HG2 ILE 42 0.297 -2.836 -12.113 1035 HG23 ILE 42 3HG2 ILE 42 -0.767 -2.920 -13.513 1036 HD11 ILE 42 3HD1 ILE 42 -0.227 -6.657 -11.697 1037 HD12 ILE 42 1HD1 ILE 42 0.666 -6.384 -10.201 1038 HD13 ILE 42 2HD1 ILE 42 1.053 -5.445 -11.642 1039 H GLU 43 H GLU 43 -2.398 -3.300 -13.884 1040 HA GLU 43 HA GLU 43 -4.945 -1.860 -14.145 1041 HB2 GLU 43 2HB GLU 43 -2.794 -2.385 -16.201 1042 HB3 GLU 43 1HB GLU 43 -4.265 -1.469 -16.480 1043 HG2 GLU 43 2HG GLU 43 -3.554 0.255 -14.992 1044 HG3 GLU 43 1HG GLU 43 -2.168 -0.705 -14.476 1045 H ILE 44 H ILE 44 -6.662 -2.722 -15.163 1046 HA ILE 44 HA ILE 44 -6.233 -5.127 -16.779 1047 HB ILE 44 HB ILE 44 -7.316 -5.886 -14.729 1048 HG12 ILE 44 2HG1 ILE 44 -7.992 -6.766 -17.061 1049 HG13 ILE 44 1HG1 ILE 44 -9.000 -7.193 -15.683 1050 HG21 ILE 44 1HG2 ILE 44 -8.355 -3.778 -14.067 1051 HG22 ILE 44 2HG2 ILE 44 -9.494 -5.123 -14.026 1052 HG23 ILE 44 3HG2 ILE 44 -9.542 -3.970 -15.358 1053 HD11 ILE 44 3HD1 ILE 44 -10.318 -6.616 -17.654 1054 HD12 ILE 44 1HD1 ILE 44 -9.584 -5.011 -17.679 1055 HD13 ILE 44 2HD1 ILE 44 -10.613 -5.490 -16.328 1056 H VAL 45 H VAL 45 -6.624 -4.624 -18.792 1057 HA VAL 45 HA VAL 45 -8.588 -2.517 -19.380 1058 HB VAL 45 HB VAL 45 -7.351 -2.295 -21.573 1059 HG11 VAL 45 1HG1 VAL 45 -5.779 -1.703 -19.068 1060 HG12 VAL 45 2HG1 VAL 45 -7.068 -0.702 -19.736 1061 HG13 VAL 45 3HG1 VAL 45 -5.566 -0.925 -20.637 1062 HG21 VAL 45 3HG2 VAL 45 -6.195 -4.445 -21.564 1063 HG22 VAL 45 1HG2 VAL 45 -5.286 -3.962 -20.131 1064 HG23 VAL 45 2HG2 VAL 45 -5.041 -3.116 -21.659 1065 H SER 46 H SER 46 -9.953 -2.789 -21.190 1066 HA SER 46 HA SER 46 -10.684 -5.551 -21.652 1067 HG SER 46 HG SER 46 -13.110 -4.596 -20.635 1068 HB2 SER 46 2HB SER 46 -11.986 -2.985 -22.602 1069 HB3 SER 46 1HB SER 46 -12.680 -4.602 -22.721 1070 H GLU 47 H GLU 47 -10.638 -6.585 -23.604 1071 HA GLU 47 HA GLU 47 -8.795 -5.533 -25.565 1072 HB2 GLU 47 2HB GLU 47 -9.594 -7.779 -26.723 1073 HB3 GLU 47 1HB GLU 47 -8.401 -7.764 -25.437 1074 HG2 GLU 47 2HG GLU 47 -10.130 -9.499 -25.192 1075 HG3 GLU 47 1HG GLU 47 -10.015 -8.400 -23.822 1076 H GLU 48 H GLU 48 -9.509 -6.220 -27.938 1077 HA GLU 48 HA GLU 48 -12.069 -4.917 -28.478 1078 HB2 GLU 48 2HB GLU 48 -9.807 -5.652 -30.345 1079 HB3 GLU 48 1HB GLU 48 -11.270 -4.796 -30.807 1080 HG2 GLU 48 2HG GLU 48 -10.672 -2.984 -29.251 1081 HG3 GLU 48 1HG GLU 48 -9.171 -3.830 -28.879 1082 H ASP 49 H ASP 49 -10.426 -7.935 -28.559 1083 HA ASP 49 HA ASP 49 -12.886 -9.340 -28.742 1084 HB2 ASP 49 2HB ASP 49 -12.504 -8.946 -31.141 1085 HB3 ASP 49 1HB ASP 49 -10.952 -9.763 -31.018 1086 H GLY 50 H GLY 50 -12.410 -10.377 -26.945 1087 HA2 GLY 50 2HA GLY 50 -11.119 -12.812 -27.003 1088 HA3 GLY 50 1HA GLY 50 -9.924 -11.671 -26.408 1089 H GLY 51 H GLY 51 -10.322 -10.563 -24.435 1090 HA2 GLY 51 2HA GLY 51 -12.559 -10.901 -22.797 1091 HA3 GLY 51 1HA GLY 51 -11.410 -12.173 -22.400 1092 H ALA 52 H ALA 52 -12.348 -9.769 -20.879 1093 HA ALA 52 HA ALA 52 -10.199 -7.963 -20.573 1094 HB1 ALA 52 3HB ALA 52 -12.297 -8.786 -18.571 1095 HB2 ALA 52 1HB ALA 52 -12.454 -7.496 -19.763 1096 HB3 ALA 52 2HB ALA 52 -11.267 -7.358 -18.465 1097 H HIS 53 H HIS 53 -8.264 -8.215 -19.660 1098 HA HIS 53 HA HIS 53 -7.843 -10.455 -17.795 1099 HD1 HIS 53 1HD HIS 53 -6.839 -13.091 -18.549 1100 HD2 HIS 53 2HD HIS 53 -7.688 -11.057 -22.072 1101 HE1 HIS 53 1HE HIS 53 -7.933 -14.780 -20.054 1102 HE2 HIS 53 2HE HIS 53 -8.483 -13.519 -22.173 1103 HB2 HIS 53 2HB HIS 53 -6.168 -9.770 -20.214 1104 HB3 HIS 53 1HB HIS 53 -5.572 -10.770 -18.895 1105 H ASN 54 H ASN 54 -6.555 -9.998 -16.086 1106 HA ASN 54 HA ASN 54 -5.437 -7.307 -15.893 1107 HB2 ASN 54 2HB ASN 54 -6.673 -8.099 -13.948 1108 HB3 ASN 54 1HB ASN 54 -5.650 -9.530 -13.844 1109 HD21 ASN 54 2HD2 ASN 54 -4.369 -5.938 -12.443 1110 HD22 ASN 54 1HD2 ASN 54 -5.777 -6.069 -13.427 1111 H GLN 55 H GLN 55 -3.314 -6.875 -15.988 1112 HA GLN 55 HA GLN 55 -1.521 -9.161 -16.444 1113 HB2 GLN 55 2HB GLN 55 -1.333 -6.304 -17.403 1114 HB3 GLN 55 1HB GLN 55 -0.071 -7.508 -17.632 1115 HG2 GLN 55 2HG GLN 55 -1.622 -8.883 -18.927 1116 HG3 GLN 55 1HG GLN 55 -2.878 -7.664 -18.710 1117 HE21 GLN 55 2HE2 GLN 55 -1.656 -5.511 -21.173 1118 HE22 GLN 55 1HE2 GLN 55 -2.734 -5.725 -19.838 1119 H CYS 56 H CYS 56 -0.598 -9.640 -14.566 1120 HA CYS 56 HA CYS 56 0.089 -7.615 -12.653 1121 HG CYS 56 HG CYS 56 -2.141 -9.287 -12.297 1122 HB2 CYS 56 2HB CYS 56 0.702 -10.575 -12.717 1123 HB3 CYS 56 1HB CYS 56 1.032 -9.507 -11.356 1124 H LYS 57 H LYS 57 1.490 -6.284 -13.748 1125 HA LYS 57 HA LYS 57 3.709 -7.055 -15.252 1126 HB2 LYS 57 2HB LYS 57 3.244 -4.495 -13.716 1127 HB3 LYS 57 1HB LYS 57 4.469 -4.720 -14.957 1128 HG2 LYS 57 2HG LYS 57 1.509 -5.000 -15.425 1129 HG3 LYS 57 1HG LYS 57 2.439 -3.535 -15.740 1130 HD2 LYS 57 2HD LYS 57 3.839 -4.780 -17.330 1131 HD3 LYS 57 1HD LYS 57 2.880 -6.230 -17.025 1132 HE2 LYS 57 2HE LYS 57 0.893 -5.112 -17.883 1133 HE3 LYS 57 1HE LYS 57 1.820 -3.635 -18.140 1134 HZ1 LYS 57 3HZ LYS 57 3.164 -4.762 -19.766 1135 HZ2 LYS 57 1HZ LYS 57 1.528 -4.933 -20.184 1136 HZ3 LYS 57 2HZ LYS 57 2.363 -6.229 -19.479 1137 H LEU 58 H LEU 58 3.369 -6.597 -11.796 1138 HA LEU 58 HA LEU 58 6.112 -6.239 -11.214 1139 HG LEU 58 HG LEU 58 5.773 -4.681 -9.471 1140 HB2 LEU 58 2HB LEU 58 3.689 -6.858 -9.595 1141 HB3 LEU 58 1HB LEU 58 5.263 -7.103 -8.867 1142 HD11 LEU 58 1HD1 LEU 58 4.059 -4.256 -11.095 1143 HD12 LEU 58 2HD1 LEU 58 3.790 -3.214 -9.692 1144 HD13 LEU 58 3HD1 LEU 58 2.797 -4.655 -9.928 1145 HD21 LEU 58 3HD2 LEU 58 5.318 -5.384 -7.202 1146 HD22 LEU 58 1HD2 LEU 58 3.581 -5.286 -7.495 1147 HD23 LEU 58 2HD2 LEU 58 4.563 -3.822 -7.517 1148 H CYS 59 H CYS 59 4.144 -9.134 -11.552 1149 HA CYS 59 HA CYS 59 6.461 -10.720 -10.683 1150 HG CYS 59 HG CYS 59 2.003 -11.708 -10.016 1151 HB2 CYS 59 2HB CYS 59 4.859 -12.588 -10.381 1152 HB3 CYS 59 1HB CYS 59 4.487 -11.192 -9.378 1153 H GLY 60 H GLY 60 4.300 -10.113 -13.346 1154 HA2 GLY 60 2HA GLY 60 4.864 -10.523 -15.596 1155 HA3 GLY 60 1HA GLY 60 6.047 -11.708 -15.063 1156 H ALA 61 H ALA 61 2.728 -11.626 -13.927 1157 HA ALA 61 HA ALA 61 2.207 -14.085 -15.461 1158 HB1 ALA 61 3HB ALA 61 1.158 -13.347 -12.729 1159 HB2 ALA 61 1HB ALA 61 2.420 -14.530 -13.067 1160 HB3 ALA 61 2HB ALA 61 0.772 -14.816 -13.625 1161 H SER 62 H SER 62 0.023 -14.410 -16.169 1162 HA SER 62 HA SER 62 -1.557 -11.932 -16.251 1163 HG SER 62 HG SER 62 -0.007 -14.271 -18.595 1164 HB2 SER 62 2HB SER 62 -2.436 -12.865 -18.470 1165 HB3 SER 62 1HB SER 62 -0.783 -12.252 -18.461 1166 H VAL 63 H VAL 63 -3.748 -12.069 -15.935 1167 HA VAL 63 HA VAL 63 -4.929 -14.663 -15.290 1168 HB VAL 63 HB VAL 63 -3.711 -13.643 -13.258 1169 HG11 VAL 63 1HG1 VAL 63 -5.014 -11.984 -11.976 1170 HG12 VAL 63 2HG1 VAL 63 -6.050 -11.763 -13.385 1171 HG13 VAL 63 3HG1 VAL 63 -4.337 -11.354 -13.479 1172 HG21 VAL 63 3HG2 VAL 63 -5.269 -15.463 -13.006 1173 HG22 VAL 63 1HG2 VAL 63 -6.626 -14.340 -13.015 1174 HG23 VAL 63 2HG2 VAL 63 -5.467 -14.313 -11.684 1175 HA PRO 64 HA PRO 64 -8.737 -12.766 -16.881 1176 HB2 PRO 64 1HB PRO 64 -10.526 -13.934 -16.010 1177 HB3 PRO 64 2HB PRO 64 -9.950 -13.780 -14.348 1178 HG2 PRO 64 2HG PRO 64 -9.369 -15.989 -14.793 1179 HG3 PRO 64 1HG PRO 64 -9.052 -15.653 -16.507 1180 HD2 PRO 64 2HD PRO 64 -7.319 -15.191 -14.128 1181 HD3 PRO 64 1HD PRO 64 -6.870 -15.623 -15.790 1182 H TRP 65 H TRP 65 -10.430 -11.189 -16.219 1183 HA TRP 65 HA TRP 65 -9.264 -9.079 -14.697 1184 HD1 TRP 65 HD TRP 65 -12.161 -11.315 -16.631 1185 HE1 TRP 65 1HE TRP 65 -14.732 -11.446 -16.698 1186 HE3 TRP 65 3HE TRP 65 -13.244 -6.605 -14.967 1187 HZ2 TRP 65 2HZ TRP 65 -16.928 -9.762 -16.119 1188 HZ3 TRP 65 3HZ TRP 65 -15.603 -5.940 -14.759 1189 HH2 TRP 65 HH TRP 65 -17.407 -7.487 -15.324 1190 HB2 TRP 65 2HB TRP 65 -11.202 -7.778 -15.288 1191 HB3 TRP 65 1HB TRP 65 -10.660 -8.671 -16.699 1192 H LEU 66 H LEU 66 -10.581 -7.892 -13.021 1193 HA LEU 66 HA LEU 66 -11.183 -7.850 -10.832 1194 HG LEU 66 HG LEU 66 -13.545 -8.444 -12.924 1195 HB2 LEU 66 2HB LEU 66 -12.794 -10.310 -11.540 1196 HB3 LEU 66 1HB LEU 66 -12.992 -9.340 -10.094 1197 HD11 LEU 66 1HD1 LEU 66 -15.401 -8.988 -10.613 1198 HD12 LEU 66 2HD1 LEU 66 -15.196 -10.005 -12.040 1199 HD13 LEU 66 3HD1 LEU 66 -15.868 -8.383 -12.204 1200 HD21 LEU 66 3HD2 LEU 66 -13.878 -6.962 -10.317 1201 HD22 LEU 66 1HD2 LEU 66 -14.413 -6.399 -11.900 1202 HD23 LEU 66 2HD2 LEU 66 -12.692 -6.605 -11.573 1203 H GLN 67 H GLN 67 -8.882 -9.280 -11.764 1204 HA GLN 67 HA GLN 67 -7.246 -10.697 -11.201 1205 HB2 GLN 67 2HB GLN 67 -8.554 -10.705 -8.480 1206 HB3 GLN 67 1HB GLN 67 -6.941 -11.303 -8.841 1207 HG2 GLN 67 2HG GLN 67 -7.941 -8.496 -8.742 1208 HG3 GLN 67 1HG GLN 67 -6.529 -9.210 -7.968 1209 HE21 GLN 67 2HE2 GLN 67 -4.392 -8.726 -10.710 1210 HE22 GLN 67 1HE2 GLN 67 -4.651 -9.558 -9.217 1211 H THR 68 H THR 68 -9.686 -12.142 -9.070 1212 HA THR 68 HA THR 68 -10.463 -14.285 -8.913 1213 HB THR 68 HB THR 68 -10.193 -14.510 -11.913 1214 HG1 THR 68 1HG THR 68 -11.165 -12.544 -11.758 1215 HG21 THR 68 3HG2 THR 68 -12.300 -15.448 -9.957 1216 HG22 THR 68 1HG2 THR 68 -11.060 -16.456 -10.706 1217 HG23 THR 68 2HG2 THR 68 -12.319 -15.721 -11.699 1218 H GLY 69 H GLY 69 -7.600 -13.773 -8.824 1219 HA2 GLY 69 2HA GLY 69 -6.574 -16.356 -9.799 1220 HA3 GLY 69 1HA GLY 69 -5.649 -14.869 -9.933 1221 H ASP 70 H ASP 70 -4.039 -14.904 -8.575 1222 HA ASP 70 HA ASP 70 -2.780 -15.079 -6.716 1223 HB2 ASP 70 2HB ASP 70 -5.481 -15.129 -5.406 1224 HB3 ASP 70 1HB ASP 70 -4.019 -15.397 -4.462 1225 H GLU 71 H GLU 71 -4.854 -17.532 -7.749 1226 HA GLU 71 HA GLU 71 -3.615 -19.578 -6.134 1227 HB2 GLU 71 2HB GLU 71 -4.872 -21.072 -7.893 1228 HB3 GLU 71 1HB GLU 71 -5.754 -20.257 -6.614 1229 HG2 GLU 71 2HG GLU 71 -6.950 -20.055 -8.686 1230 HG3 GLU 71 1HG GLU 71 -6.357 -18.471 -8.195 1231 H ILE 72 H ILE 72 -3.238 -18.141 -9.291 1232 HA ILE 72 HA ILE 72 -1.203 -19.907 -10.193 1233 HB ILE 72 HB ILE 72 -2.299 -18.418 -11.779 1234 HG12 ILE 72 2HG1 ILE 72 0.621 -17.697 -11.443 1235 HG13 ILE 72 1HG1 ILE 72 0.002 -19.115 -12.280 1236 HG21 ILE 72 1HG2 ILE 72 -1.053 -16.144 -10.240 1237 HG22 ILE 72 2HG2 ILE 72 -2.771 -16.532 -10.339 1238 HG23 ILE 72 3HG2 ILE 72 -1.903 -15.995 -11.778 1239 HD11 ILE 72 3HD1 ILE 72 -1.078 -17.656 -13.925 1240 HD12 ILE 72 1HD1 ILE 72 0.667 -17.412 -13.857 1241 HD13 ILE 72 2HD1 ILE 72 -0.417 -16.247 -13.095 1242 H LYS 73 H LYS 73 0.867 -20.060 -9.535 1243 HA LYS 73 HA LYS 73 1.615 -18.823 -7.135 1244 HB2 LYS 73 2HB LYS 73 2.488 -21.019 -7.918 1245 HB3 LYS 73 1HB LYS 73 3.463 -20.167 -9.109 1246 HG2 LYS 73 2HG LYS 73 4.691 -19.038 -7.362 1247 HG3 LYS 73 1HG LYS 73 3.660 -19.770 -6.130 1248 HD2 LYS 73 2HD LYS 73 4.443 -21.990 -6.819 1249 HD3 LYS 73 1HD LYS 73 5.501 -21.235 -8.012 1250 HE2 LYS 73 2HE LYS 73 6.746 -21.821 -6.000 1251 HE3 LYS 73 1HE LYS 73 6.693 -20.072 -6.219 1252 HZ1 LYS 73 3HZ LYS 73 4.859 -21.570 -4.425 1253 HZ2 LYS 73 1HZ LYS 73 5.021 -19.887 -4.546 1254 HZ3 LYS 73 2HZ LYS 73 6.285 -20.818 -3.903 1255 H HIS 74 H HIS 74 2.305 -16.907 -6.755 1256 HA HIS 74 HA HIS 74 3.395 -15.309 -8.970 1257 HD1 HIS 74 1HD HIS 74 3.014 -13.978 -4.896 1258 HD2 HIS 74 2HD HIS 74 -0.573 -15.168 -6.635 1259 HE1 HIS 74 1HE HIS 74 1.442 -14.394 -2.984 1260 HE2 HIS 74 2HE HIS 74 -0.641 -15.331 -4.050 1261 HB2 HIS 74 2HB HIS 74 2.614 -13.331 -7.550 1262 HB3 HIS 74 1HB HIS 74 1.361 -14.291 -8.326 1263 H ALA 75 H ALA 75 5.028 -13.742 -8.430 1264 HA ALA 75 HA ALA 75 7.087 -14.739 -6.804 1265 HB1 ALA 75 3HB ALA 75 6.686 -11.941 -7.862 1266 HB2 ALA 75 1HB ALA 75 7.531 -13.255 -8.682 1267 HB3 ALA 75 2HB ALA 75 8.187 -12.578 -7.191 1268 H ASP 76 H ASP 76 7.040 -14.869 -4.672 1269 HA ASP 76 HA ASP 76 5.337 -13.173 -3.087 1270 HB2 ASP 76 2HB ASP 76 7.232 -15.419 -2.444 1271 HB3 ASP 76 1HB ASP 76 6.431 -14.488 -1.194 1272 H ASP 77 H ASP 77 8.119 -12.620 -4.512 1273 HA ASP 77 HA ASP 77 9.556 -11.302 -2.376 1274 HB2 ASP 77 2HB ASP 77 10.110 -11.016 -5.325 1275 HB3 ASP 77 1HB ASP 77 11.235 -10.853 -3.983 1276 H CYS 78 H CYS 78 6.945 -10.615 -4.303 1277 HA CYS 78 HA CYS 78 7.441 -7.796 -4.690 1278 HG CYS 78 HG CYS 78 7.651 -9.492 -6.865 1279 HB2 CYS 78 2HB CYS 78 4.924 -9.419 -5.120 1280 HB3 CYS 78 1HB CYS 78 5.184 -7.762 -5.657 1281 HA PRO 79 HA PRO 79 5.962 -6.431 -0.752 1282 HB2 PRO 79 1HB PRO 79 6.827 -4.361 -1.182 1283 HB3 PRO 79 2HB PRO 79 5.146 -3.916 -1.493 1284 HG2 PRO 79 2HG PRO 79 5.379 -4.130 -3.790 1285 HG3 PRO 79 1HG PRO 79 7.017 -3.595 -3.366 1286 HD2 PRO 79 2HD PRO 79 6.589 -5.855 -4.750 1287 HD3 PRO 79 1HD PRO 79 7.895 -5.733 -3.552 1288 H VAL 80 H VAL 80 3.974 -6.626 -3.551 1289 HA VAL 80 HA VAL 80 1.493 -5.815 -2.498 1290 HB VAL 80 HB VAL 80 2.022 -7.922 -4.604 1291 HG11 VAL 80 1HG1 VAL 80 -0.258 -8.005 -3.755 1292 HG12 VAL 80 2HG1 VAL 80 -0.225 -7.401 -5.411 1293 HG13 VAL 80 3HG1 VAL 80 -0.450 -6.281 -4.068 1294 HG21 VAL 80 3HG2 VAL 80 1.696 -6.108 -6.226 1295 HG22 VAL 80 1HG2 VAL 80 3.099 -5.831 -5.194 1296 HG23 VAL 80 2HG2 VAL 80 1.599 -4.950 -4.900 1297 H VAL 81 H VAL 81 3.275 -8.841 -2.368 1298 HA VAL 81 HA VAL 81 1.168 -10.377 -1.202 1299 HB VAL 81 HB VAL 81 4.146 -10.902 -1.111 1300 HG11 VAL 81 1HG1 VAL 81 3.515 -13.238 -0.792 1301 HG12 VAL 81 2HG1 VAL 81 1.810 -12.787 -0.796 1302 HG13 VAL 81 3HG1 VAL 81 2.868 -12.225 0.499 1303 HG21 VAL 81 3HG2 VAL 81 3.453 -10.639 -3.405 1304 HG22 VAL 81 1HG2 VAL 81 2.087 -11.726 -3.155 1305 HG23 VAL 81 2HG2 VAL 81 3.733 -12.349 -3.078 1306 H ILE 82 H ILE 82 3.846 -8.459 0.007 1307 HA ILE 82 HA ILE 82 3.773 -9.084 2.722 1308 HB ILE 82 HB ILE 82 4.331 -6.402 1.428 1309 HG12 ILE 82 2HG1 ILE 82 5.777 -8.333 0.709 1310 HG13 ILE 82 1HG1 ILE 82 6.647 -7.002 1.469 1311 HG21 ILE 82 1HG2 ILE 82 4.976 -7.384 4.208 1312 HG22 ILE 82 2HG2 ILE 82 3.837 -6.109 3.780 1313 HG23 ILE 82 3HG2 ILE 82 5.562 -5.876 3.500 1314 HD11 ILE 82 3HD1 ILE 82 5.848 -9.572 2.833 1315 HD12 ILE 82 1HD1 ILE 82 6.782 -8.249 3.538 1316 HD13 ILE 82 2HD1 ILE 82 7.455 -9.187 2.206 1317 H ALA 83 H ALA 83 2.007 -6.570 0.936 1318 HA ALA 83 HA ALA 83 0.616 -5.503 3.124 1319 HB1 ALA 83 3HB ALA 83 0.870 -4.344 0.985 1320 HB2 ALA 83 1HB ALA 83 -0.817 -4.433 1.486 1321 HB3 ALA 83 2HB ALA 83 -0.211 -5.512 0.228 1322 H LYS 84 H LYS 84 -0.304 -8.036 0.814 1323 HA LYS 84 HA LYS 84 -2.908 -8.452 1.812 1324 HB2 LYS 84 2HB LYS 84 -1.026 -10.352 0.401 1325 HB3 LYS 84 1HB LYS 84 -2.710 -10.716 0.748 1326 HG2 LYS 84 2HG LYS 84 -3.304 -8.666 -0.592 1327 HG3 LYS 84 1HG LYS 84 -1.615 -8.622 -1.104 1328 HD2 LYS 84 2HD LYS 84 -1.810 -10.836 -2.062 1329 HD3 LYS 84 1HD LYS 84 -3.460 -10.981 -1.455 1330 HE2 LYS 84 2HE LYS 84 -3.973 -8.903 -2.844 1331 HE3 LYS 84 1HE LYS 84 -2.413 -9.176 -3.620 1332 HZ1 LYS 84 3HZ LYS 84 -4.151 -10.184 -4.914 1333 HZ2 LYS 84 1HZ LYS 84 -4.710 -11.058 -3.582 1334 HZ3 LYS 84 2HZ LYS 84 -3.197 -11.414 -4.251 1335 H GLN 85 H GLN 85 0.202 -9.884 2.624 1336 HA GLN 85 HA GLN 85 -0.638 -11.796 4.475 1337 HB2 GLN 85 2HB GLN 85 1.667 -11.567 3.560 1338 HB3 GLN 85 1HB GLN 85 1.894 -10.147 4.571 1339 HG2 GLN 85 2HG GLN 85 2.945 -12.010 5.619 1340 HG3 GLN 85 1HG GLN 85 1.522 -11.568 6.564 1341 HE21 GLN 85 2HE2 GLN 85 1.779 -15.166 4.716 1342 HE22 GLN 85 1HE2 GLN 85 2.924 -13.910 4.419 1343 H ILE 86 H ILE 86 0.097 -8.364 4.905 1344 HA ILE 86 HA ILE 86 -0.029 -8.257 7.701 1345 HB ILE 86 HB ILE 86 -0.667 -6.098 5.681 1346 HG12 ILE 86 2HG1 ILE 86 1.857 -6.675 7.252 1347 HG13 ILE 86 1HG1 ILE 86 1.622 -7.024 5.544 1348 HG21 ILE 86 1HG2 ILE 86 -0.094 -5.850 8.633 1349 HG22 ILE 86 2HG2 ILE 86 -1.647 -5.564 7.846 1350 HG23 ILE 86 3HG2 ILE 86 -0.277 -4.509 7.502 1351 HD11 ILE 86 3HD1 ILE 86 1.618 -4.295 6.807 1352 HD12 ILE 86 1HD1 ILE 86 1.371 -4.636 5.095 1353 HD13 ILE 86 2HD1 ILE 86 2.922 -5.004 5.854 1354 H LEU 87 H LEU 87 -2.585 -7.612 5.291 1355 HA LEU 87 HA LEU 87 -4.517 -7.029 7.313 1356 HG LEU 87 HG LEU 87 -3.903 -8.065 3.822 1357 HB2 LEU 87 2HB LEU 87 -6.149 -6.981 5.471 1358 HB3 LEU 87 1HB LEU 87 -4.742 -5.985 5.166 1359 HD11 LEU 87 1HD1 LEU 87 -5.652 -9.599 4.477 1360 HD12 LEU 87 2HD1 LEU 87 -5.733 -9.287 2.743 1361 HD13 LEU 87 3HD1 LEU 87 -6.880 -8.511 3.834 1362 HD21 LEU 87 3HD2 LEU 87 -4.355 -5.900 2.850 1363 HD22 LEU 87 1HD2 LEU 87 -6.085 -6.241 2.841 1364 HD23 LEU 87 2HD2 LEU 87 -4.998 -7.178 1.816 1365 H SER 88 H SER 88 -3.292 -9.933 6.090 1366 HA SER 88 HA SER 88 -5.706 -11.456 6.598 1367 HG SER 88 HG SER 88 -3.922 -11.229 4.039 1368 HB2 SER 88 2HB SER 88 -2.948 -12.306 5.686 1369 HB3 SER 88 1HB SER 88 -4.339 -13.373 5.828 1370 H SER 89 H SER 89 -3.257 -10.238 8.484 1371 HA SER 89 HA SER 89 -2.678 -12.455 10.147 1372 HG SER 89 HG SER 89 -1.154 -10.713 9.050 1373 HB2 SER 89 2HB SER 89 -2.537 -9.488 10.723 1374 HB3 SER 89 1HB SER 89 -1.867 -10.748 11.761 1375 H ARG 90 H ARG 90 -4.909 -9.704 10.649 1376 HA ARG 90 HA ARG 90 -6.816 -11.484 11.873 1377 HE ARG 90 HE ARG 90 -7.143 -8.356 16.052 1378 HB2 ARG 90 2HB ARG 90 -5.279 -10.840 13.758 1379 HB3 ARG 90 1HB ARG 90 -5.776 -9.169 13.519 1380 HG2 ARG 90 2HG ARG 90 -7.998 -9.640 14.178 1381 HG3 ARG 90 1HG ARG 90 -7.727 -11.382 14.099 1382 HD2 ARG 90 2HD ARG 90 -7.693 -10.821 16.390 1383 HD3 ARG 90 1HD ARG 90 -6.012 -11.067 15.926 1384 HH11 ARG 90 1HH1 ARG 90 -4.731 -10.707 17.006 1385 HH12 ARG 90 2HH1 ARG 90 -3.834 -9.576 17.983 1386 HH21 ARG 90 2HH2 ARG 90 -4.548 -7.410 18.185 1387 HH22 ARG 90 1HH2 ARG 90 -5.974 -6.867 17.351 1388 HA PRO 91 HA PRO 91 -8.757 -8.102 9.539 1389 HB2 PRO 91 1HB PRO 91 -8.839 -9.488 7.717 1390 HB3 PRO 91 2HB PRO 91 -10.532 -9.609 8.199 1391 HG2 PRO 91 2HG PRO 91 -10.243 -11.682 9.161 1392 HG3 PRO 91 1HG PRO 91 -8.949 -11.779 7.954 1393 HD2 PRO 91 2HD PRO 91 -8.609 -11.988 10.709 1394 HD3 PRO 91 1HD PRO 91 -7.328 -11.619 9.539 1395 H LYS 92 H LYS 92 -9.478 -7.528 11.765 1396 HA LYS 92 HA LYS 92 -12.358 -7.458 11.707 1397 HB2 LYS 92 2HB LYS 92 -12.738 -8.249 13.957 1398 HB3 LYS 92 1HB LYS 92 -11.897 -9.502 13.058 1399 HG2 LYS 92 2HG LYS 92 -9.825 -8.973 14.139 1400 HG3 LYS 92 1HG LYS 92 -10.547 -7.569 14.928 1401 HD2 LYS 92 2HD LYS 92 -11.267 -10.464 15.387 1402 HD3 LYS 92 1HD LYS 92 -10.389 -9.411 16.497 1403 HE2 LYS 92 2HE LYS 92 -12.387 -7.948 16.615 1404 HE3 LYS 92 1HE LYS 92 -13.254 -9.097 15.599 1405 HZ1 LYS 92 3HZ LYS 92 -13.819 -9.547 17.842 1406 HZ2 LYS 92 1HZ LYS 92 -12.196 -9.550 18.334 1407 HZ3 LYS 92 2HZ LYS 92 -12.784 -10.795 17.345 1408 H LEU 93 H LEU 93 -13.095 -6.082 13.726 1409 HA LEU 93 HA LEU 93 -13.017 -4.176 14.942 1410 HG LEU 93 HG LEU 93 -10.658 -2.135 15.323 1411 HB2 LEU 93 2HB LEU 93 -11.018 -5.057 16.008 1412 HB3 LEU 93 1HB LEU 93 -10.022 -4.464 14.692 1413 HD11 LEU 93 1HD1 LEU 93 -11.689 -1.748 17.504 1414 HD12 LEU 93 2HD1 LEU 93 -11.917 -3.484 17.710 1415 HD13 LEU 93 3HD1 LEU 93 -12.777 -2.628 16.430 1416 HD21 LEU 93 3HD2 LEU 93 -9.250 -2.048 17.327 1417 HD22 LEU 93 1HD2 LEU 93 -8.566 -3.108 16.094 1418 HD23 LEU 93 2HD2 LEU 93 -9.387 -3.798 17.494 1419 H HIS 94 H HIS 94 -13.930 -2.634 13.804 1420 HA HIS 94 HA HIS 94 -12.207 -0.919 12.171 1421 HD1 HIS 94 1HD HIS 94 -12.344 -0.112 9.260 1422 HD2 HIS 94 2HD HIS 94 -16.328 0.036 10.461 1423 HE1 HIS 94 1HE HIS 94 -13.372 1.801 7.989 1424 HE2 HIS 94 2HE HIS 94 -15.692 2.027 8.944 1425 HB2 HIS 94 2HB HIS 94 -13.268 -2.286 10.503 1426 HB3 HIS 94 1HB HIS 94 -14.839 -2.125 11.281 1427 H ALA 95 H ALA 95 -12.762 1.226 12.197 1428 HA ALA 95 HA ALA 95 -13.854 3.163 12.654 1429 HB1 ALA 95 3HB ALA 95 -16.137 3.223 13.439 1430 HB2 ALA 95 1HB ALA 95 -16.088 1.500 13.803 1431 HB3 ALA 95 2HB ALA 95 -15.977 2.052 12.132 1432 H VAL 96 H VAL 96 -13.588 4.584 14.229 1433 HA VAL 96 HA VAL 96 -13.047 3.569 16.937 1434 HB VAL 96 HB VAL 96 -12.084 6.143 15.655 1435 HG11 VAL 96 1HG1 VAL 96 -12.394 6.332 18.077 1436 HG12 VAL 96 2HG1 VAL 96 -10.686 6.382 17.639 1437 HG13 VAL 96 3HG1 VAL 96 -11.380 4.910 18.317 1438 HG21 VAL 96 3HG2 VAL 96 -9.864 5.097 15.685 1439 HG22 VAL 96 1HG2 VAL 96 -10.996 4.195 14.676 1440 HG23 VAL 96 2HG2 VAL 96 -10.582 3.601 16.284 Start of MODEL 15 1 HA MET 1 HA MET 1 3.420 18.480 -14.702 2 H1 MET 1 1H MET 1 1.262 18.103 -15.683 3 H2 MET 1 2H MET 1 1.973 17.422 -17.058 4 H3 MET 1 3H MET 1 2.220 19.060 -16.706 5 HB2 MET 1 2HB MET 1 2.259 16.329 -14.299 6 HB3 MET 1 1HB MET 1 3.077 15.638 -15.692 7 HG2 MET 1 2HG MET 1 5.237 15.988 -14.579 8 HG3 MET 1 1HG MET 1 4.390 16.626 -13.168 9 HE1 MET 1 3HE MET 1 5.490 14.895 -11.503 10 HE2 MET 1 1HE MET 1 6.465 14.358 -12.871 11 HE3 MET 1 2HE MET 1 5.636 13.173 -11.863 12 H GLY 2 H GLY 2 5.566 18.807 -14.972 13 HA2 GLY 2 2HA GLY 2 6.766 17.865 -17.501 14 HA3 GLY 2 1HA GLY 2 7.025 19.501 -16.911 15 H SER 3 H SER 3 9.269 19.104 -16.920 16 HA SER 3 HA SER 3 11.278 18.589 -16.022 17 HG SER 3 HG SER 3 10.326 20.272 -14.677 18 HB2 SER 3 2HB SER 3 9.735 17.816 -13.534 19 HB3 SER 3 1HB SER 3 11.450 18.216 -13.629 20 H SER 4 H SER 4 9.718 16.141 -14.048 21 HA SER 4 HA SER 4 9.786 13.928 -15.695 22 HG SER 4 HG SER 4 12.552 12.412 -16.068 23 HB2 SER 4 2HB SER 4 12.290 14.464 -15.732 24 HB3 SER 4 1HB SER 4 12.314 14.032 -14.025 25 H HIS 5 H HIS 5 10.060 11.835 -14.200 26 HA HIS 5 HA HIS 5 9.154 12.516 -11.499 27 HD1 HIS 5 1HD HIS 5 6.994 8.410 -12.435 28 HD2 HIS 5 2HD HIS 5 8.421 10.991 -15.373 29 HE1 HIS 5 1HE HIS 5 6.987 7.083 -14.574 30 HE2 HIS 5 2HE HIS 5 7.686 8.714 -16.363 31 HB2 HIS 5 2HB HIS 5 7.576 10.610 -11.509 32 HB3 HIS 5 1HB HIS 5 7.146 11.868 -12.655 33 H HIS 6 H HIS 6 11.275 12.267 -10.912 34 HA HIS 6 HA HIS 6 13.018 10.205 -11.163 35 HD1 HIS 6 1HD HIS 6 12.973 10.817 -6.636 36 HD2 HIS 6 2HD HIS 6 10.950 13.458 -9.130 37 HE1 HIS 6 1HE HIS 6 11.323 12.016 -5.163 38 HE2 HIS 6 2HE HIS 6 9.984 13.468 -6.731 39 HB2 HIS 6 2HB HIS 6 13.899 10.818 -8.939 40 HB3 HIS 6 1HB HIS 6 13.534 12.238 -9.914 41 H HIS 7 H HIS 7 13.344 8.189 -10.368 42 HA HIS 7 HA HIS 7 11.845 7.122 -8.176 43 HD1 HIS 7 1HD HIS 7 10.719 7.879 -12.238 44 HD2 HIS 7 2HD HIS 7 11.686 3.893 -11.533 45 HE1 HIS 7 1HE HIS 7 11.130 6.869 -14.504 46 HE2 HIS 7 2HE HIS 7 11.548 4.419 -14.065 47 HB2 HIS 7 2HB HIS 7 10.651 5.362 -9.434 48 HB3 HIS 7 1HB HIS 7 10.082 6.975 -9.841 49 H HIS 8 H HIS 8 14.592 7.322 -9.704 50 HA HIS 8 HA HIS 8 15.299 4.501 -9.822 51 HD1 HIS 8 1HD HIS 8 19.384 6.517 -10.398 52 HD2 HIS 8 2HD HIS 8 17.176 3.097 -11.270 53 HE1 HIS 8 1HE HIS 8 21.076 4.685 -10.753 54 HE2 HIS 8 2HE HIS 8 19.718 2.603 -11.172 55 HB2 HIS 8 2HB HIS 8 16.131 5.992 -11.586 56 HB3 HIS 8 1HB HIS 8 16.964 6.970 -10.385 57 H HIS 9 H HIS 9 14.901 4.197 -7.524 58 HA HIS 9 HA HIS 9 17.443 4.257 -6.161 59 HD1 HIS 9 1HD HIS 9 18.696 5.516 -3.955 60 HD2 HIS 9 2HD HIS 9 16.217 8.229 -5.909 61 HE1 HIS 9 1HE HIS 9 20.030 7.641 -4.151 62 HE2 HIS 9 2HE HIS 9 18.576 9.208 -5.492 63 HB2 HIS 9 2HB HIS 9 15.120 5.842 -5.180 64 HB3 HIS 9 1HB HIS 9 16.051 4.945 -3.986 65 H HIS 10 H HIS 10 14.155 3.776 -4.924 66 HA HIS 10 HA HIS 10 13.081 1.993 -4.048 67 HD1 HIS 10 1HD HIS 10 12.744 3.005 -6.550 68 HD2 HIS 10 2HD HIS 10 11.949 -1.052 -6.966 69 HE1 HIS 10 1HE HIS 10 10.817 2.856 -8.151 70 HE2 HIS 10 2HE HIS 10 10.531 0.387 -8.575 71 HB2 HIS 10 2HB HIS 10 14.794 0.602 -6.088 72 HB3 HIS 10 1HB HIS 10 13.731 -0.306 -5.021 73 H SER 11 H SER 11 13.641 2.067 -1.958 74 HA SER 11 HA SER 11 16.147 1.196 -0.945 75 HG SER 11 HG SER 11 12.740 1.790 1.082 76 HB2 SER 11 2HB SER 11 14.761 1.260 1.270 77 HB3 SER 11 1HB SER 11 15.090 2.764 0.408 78 H SER 12 H SER 12 16.492 -0.624 0.496 79 HA SER 12 HA SER 12 14.923 -2.946 -0.381 80 HG SER 12 HG SER 12 18.032 -1.484 -0.370 81 HB2 SER 12 2HB SER 12 17.191 -4.140 0.213 82 HB3 SER 12 1HB SER 12 17.001 -3.307 -1.330 83 H GLY 13 H GLY 13 14.442 -4.577 1.078 84 HA2 GLY 13 2HA GLY 13 15.287 -5.124 3.576 85 HA3 GLY 13 1HA GLY 13 14.236 -3.738 3.842 86 H ARG 14 H ARG 14 13.715 -6.310 4.914 87 HA ARG 14 HA ARG 14 11.072 -6.710 3.791 88 HE ARG 14 HE ARG 14 9.339 -10.994 2.001 89 HB2 ARG 14 2HB ARG 14 12.596 -8.289 2.539 90 HB3 ARG 14 1HB ARG 14 12.918 -9.090 4.070 91 HG2 ARG 14 2HG ARG 14 10.496 -9.586 4.271 92 HG3 ARG 14 1HG ARG 14 10.256 -8.878 2.671 93 HD2 ARG 14 2HD ARG 14 11.937 -10.534 1.803 94 HD3 ARG 14 1HD ARG 14 11.883 -11.313 3.381 95 HH11 ARG 14 1HH1 ARG 14 11.980 -13.101 2.931 96 HH12 ARG 14 2HH1 ARG 14 11.171 -14.553 2.414 97 HH21 ARG 14 2HH2 ARG 14 9.058 -14.445 1.526 98 HH22 ARG 14 1HH2 ARG 14 8.240 -12.913 1.362 99 H GLU 15 H GLU 15 10.300 -5.948 5.727 100 HA GLU 15 HA GLU 15 11.068 -7.300 8.193 101 HB2 GLU 15 2HB GLU 15 9.085 -5.058 7.750 102 HB3 GLU 15 1HB GLU 15 9.666 -5.631 9.306 103 HG2 GLU 15 2HG GLU 15 11.252 -4.220 7.177 104 HG3 GLU 15 1HG GLU 15 10.804 -3.605 8.767 105 H ASN 16 H ASN 16 9.890 -8.822 9.180 106 HA ASN 16 HA ASN 16 7.159 -9.302 8.181 107 HB2 ASN 16 2HB ASN 16 9.236 -11.357 8.962 108 HB3 ASN 16 1HB ASN 16 7.538 -11.733 8.704 109 HD21 ASN 16 2HD2 ASN 16 8.132 -10.529 5.150 110 HD22 ASN 16 1HD2 ASN 16 7.364 -9.759 6.491 111 H LEU 17 H LEU 17 6.410 -7.971 9.884 112 HA LEU 17 HA LEU 17 6.462 -9.270 12.513 113 HG LEU 17 HG LEU 17 8.915 -7.566 11.790 114 HB2 LEU 17 2HB LEU 17 6.772 -6.311 11.961 115 HB3 LEU 17 1HB LEU 17 6.525 -7.007 13.551 116 HD11 LEU 17 1HD1 LEU 17 8.682 -5.786 14.215 117 HD12 LEU 17 2HD1 LEU 17 8.840 -5.232 12.548 118 HD13 LEU 17 3HD1 LEU 17 10.153 -6.131 13.307 119 HD21 LEU 17 3HD2 LEU 17 9.865 -8.567 13.801 120 HD22 LEU 17 1HD2 LEU 17 8.374 -9.385 13.335 121 HD23 LEU 17 2HD2 LEU 17 8.370 -8.244 14.680 122 H TYR 18 H TYR 18 4.793 -7.817 13.903 123 HA TYR 18 HA TYR 18 2.365 -7.386 12.323 124 HD1 TYR 18 2HD TYR 18 0.170 -8.702 11.970 125 HD2 TYR 18 1HD TYR 18 0.678 -8.625 16.195 126 HE1 TYR 18 2HE TYR 18 -2.262 -8.447 12.255 127 HE2 TYR 18 1HE TYR 18 -1.748 -8.380 16.491 128 HH TYR 18 HH TYR 18 -3.967 -8.906 14.004 129 HB2 TYR 18 2HB TYR 18 2.262 -9.680 13.239 130 HB3 TYR 18 1HB TYR 18 2.520 -9.043 14.859 131 H PHE 19 H PHE 19 0.762 -6.080 13.484 132 HA PHE 19 HA PHE 19 1.912 -3.858 14.776 133 HD1 PHE 19 1HD PHE 19 0.563 -1.594 13.503 134 HD2 PHE 19 2HD PHE 19 -0.999 -5.384 12.348 135 HE1 PHE 19 1HE PHE 19 0.573 -0.879 11.149 136 HE2 PHE 19 2HE PHE 19 -0.994 -4.671 9.992 137 HZ PHE 19 HZ PHE 19 -0.205 -2.419 9.394 138 HB2 PHE 19 2HB PHE 19 -0.990 -4.709 14.650 139 HB3 PHE 19 1HB PHE 19 -0.415 -3.114 15.136 140 H GLN 20 H GLN 20 2.992 -4.333 16.553 141 HA GLN 20 HA GLN 20 1.824 -4.645 19.058 142 HB2 GLN 20 2HB GLN 20 1.306 -6.943 18.177 143 HB3 GLN 20 1HB GLN 20 3.032 -7.215 17.995 144 HG2 GLN 20 2HG GLN 20 3.320 -6.923 20.414 145 HG3 GLN 20 1HG GLN 20 1.581 -6.687 20.576 146 HE21 GLN 20 2HE2 GLN 20 2.664 -10.240 21.243 147 HE22 GLN 20 1HE2 GLN 20 3.298 -8.713 21.757 148 H GLY 21 H GLY 21 4.502 -5.379 16.924 149 HA2 GLY 21 2HA GLY 21 6.286 -3.890 18.718 150 HA3 GLY 21 1HA GLY 21 6.779 -5.483 18.155 151 H MET 22 H MET 22 5.241 -2.665 16.611 152 HA MET 22 HA MET 22 6.922 -3.021 14.263 153 HB2 MET 22 2HB MET 22 4.654 -1.151 14.925 154 HB3 MET 22 1HB MET 22 5.610 -0.973 13.465 155 HG2 MET 22 2HG MET 22 4.001 -3.402 14.216 156 HG3 MET 22 1HG MET 22 3.521 -2.160 13.061 157 HE1 MET 22 3HE MET 22 3.384 -5.081 12.081 158 HE2 MET 22 1HE MET 22 4.233 -4.988 10.537 159 HE3 MET 22 2HE MET 22 3.143 -3.690 11.025 160 H THR 23 H THR 23 8.881 -2.156 14.182 161 HA THR 23 HA THR 23 9.476 0.108 15.936 162 HB THR 23 HB THR 23 11.872 -0.546 15.530 163 HG1 THR 23 1HG THR 23 11.871 -2.927 14.806 164 HG21 THR 23 3HG2 THR 23 11.770 -2.524 17.001 165 HG22 THR 23 1HG2 THR 23 10.030 -2.625 16.720 166 HG23 THR 23 2HG2 THR 23 10.710 -1.227 17.554 167 H ASP 24 H ASP 24 11.756 1.069 14.812 168 HA ASP 24 HA ASP 24 10.872 3.052 13.112 169 HB2 ASP 24 2HB ASP 24 12.946 3.122 14.468 170 HB3 ASP 24 1HB ASP 24 13.692 1.975 13.364 171 H THR 25 H THR 25 12.371 -0.044 12.267 172 HA THR 25 HA THR 25 12.740 0.689 9.523 173 HB THR 25 HB THR 25 13.329 -1.812 9.323 174 HG1 THR 25 1HG THR 25 13.722 -2.836 11.297 175 HG21 THR 25 3HG2 THR 25 15.535 -1.420 10.299 176 HG22 THR 25 1HG2 THR 25 14.906 -0.035 11.189 177 HG23 THR 25 2HG2 THR 25 14.975 0.008 9.428 178 H ALA 26 H ALA 26 10.051 -0.427 11.239 179 HA ALA 26 HA ALA 26 8.846 -2.078 9.264 180 HB1 ALA 26 3HB ALA 26 7.521 -0.412 11.404 181 HB2 ALA 26 1HB ALA 26 8.099 -2.069 11.596 182 HB3 ALA 26 2HB ALA 26 6.769 -1.722 10.491 183 H ALA 27 H ALA 27 9.259 1.307 9.605 184 HA ALA 27 HA ALA 27 7.193 2.265 7.959 185 HB1 ALA 27 3HB ALA 27 8.544 4.284 7.741 186 HB2 ALA 27 1HB ALA 27 9.941 3.433 8.402 187 HB3 ALA 27 2HB ALA 27 8.524 3.720 9.411 188 H GLU 28 H GLU 28 10.201 0.702 7.251 189 HA GLU 28 HA GLU 28 10.578 1.642 4.615 190 HB2 GLU 28 2HB GLU 28 12.339 0.575 6.000 191 HB3 GLU 28 1HB GLU 28 11.505 -0.963 5.845 192 HG2 GLU 28 2HG GLU 28 13.353 -0.873 4.311 193 HG3 GLU 28 1HG GLU 28 11.835 -0.870 3.409 194 H ASP 29 H ASP 29 9.119 -1.371 5.858 195 HA ASP 29 HA ASP 29 8.541 -2.341 3.249 196 HB2 ASP 29 2HB ASP 29 8.180 -3.299 5.978 197 HB3 ASP 29 1HB ASP 29 6.856 -3.754 4.904 198 H VAL 30 H VAL 30 6.613 -0.585 5.653 199 HA VAL 30 HA VAL 30 4.181 -0.933 4.280 200 HB VAL 30 HB VAL 30 3.322 0.896 5.634 201 HG11 VAL 30 1HG1 VAL 30 5.030 -1.076 7.120 202 HG12 VAL 30 2HG1 VAL 30 3.354 -1.287 6.610 203 HG13 VAL 30 3HG1 VAL 30 3.755 -0.104 7.855 204 HG21 VAL 30 3HG2 VAL 30 5.208 2.403 5.638 205 HG22 VAL 30 1HG2 VAL 30 6.160 1.242 6.563 206 HG23 VAL 30 2HG2 VAL 30 4.753 2.010 7.295 207 H ARG 31 H ARG 31 6.695 1.565 4.032 208 HA ARG 31 HA ARG 31 5.187 3.115 2.152 209 HE ARG 31 HE ARG 31 11.205 2.926 2.858 210 HB2 ARG 31 2HB ARG 31 7.168 4.441 1.831 211 HB3 ARG 31 1HB ARG 31 6.956 4.134 3.544 212 HG2 ARG 31 2HG ARG 31 8.691 2.432 3.474 213 HG3 ARG 31 1HG ARG 31 8.882 2.691 1.737 214 HD2 ARG 31 2HD ARG 31 9.611 4.943 2.092 215 HD3 ARG 31 1HD ARG 31 9.245 4.840 3.812 216 HH11 ARG 31 1HH1 ARG 31 10.611 6.092 4.252 217 HH12 ARG 31 2HH1 ARG 31 12.228 6.262 4.872 218 HH21 ARG 31 2HH2 ARG 31 13.770 4.582 4.536 219 HH22 ARG 31 1HH2 ARG 31 13.316 3.134 3.684 220 H LYS 32 H LYS 32 7.455 0.475 1.964 221 HA LYS 32 HA LYS 32 8.053 0.414 -0.740 222 HB2 LYS 32 2HB LYS 32 8.972 -1.176 0.873 223 HB3 LYS 32 1HB LYS 32 7.382 -1.889 1.102 224 HG2 LYS 32 2HG LYS 32 7.460 -2.455 -1.380 225 HG3 LYS 32 1HG LYS 32 9.179 -2.056 -1.293 226 HD2 LYS 32 2HD LYS 32 7.739 -4.138 0.350 227 HD3 LYS 32 1HD LYS 32 8.837 -4.451 -0.995 228 HE2 LYS 32 2HE LYS 32 10.691 -3.536 0.235 229 HE3 LYS 32 1HE LYS 32 9.623 -3.002 1.531 230 HZ1 LYS 32 3HZ LYS 32 10.051 -5.838 0.770 231 HZ2 LYS 32 1HZ LYS 32 9.147 -5.268 2.093 232 HZ3 LYS 32 2HZ LYS 32 10.831 -5.059 2.055 233 H ILE 33 H ILE 33 5.183 -0.775 0.946 234 HA ILE 33 HA ILE 33 3.799 -1.796 -1.279 235 HB ILE 33 HB ILE 33 2.562 -0.549 1.182 236 HG12 ILE 33 2HG1 ILE 33 3.417 -3.427 0.813 237 HG13 ILE 33 1HG1 ILE 33 4.364 -2.230 1.691 238 HG21 ILE 33 1HG2 ILE 33 0.745 -2.134 0.769 239 HG22 ILE 33 2HG2 ILE 33 1.576 -2.716 -0.674 240 HG23 ILE 33 3HG2 ILE 33 0.983 -1.056 -0.607 241 HD11 ILE 33 3HD1 ILE 33 3.081 -3.622 3.203 242 HD12 ILE 33 1HD1 ILE 33 1.588 -3.141 2.398 243 HD13 ILE 33 2HD1 ILE 33 2.540 -1.944 3.278 244 H ALA 34 H ALA 34 3.786 1.398 0.245 245 HA ALA 34 HA ALA 34 1.836 2.577 -1.415 246 HB1 ALA 34 3HB ALA 34 2.530 3.504 0.756 247 HB2 ALA 34 1HB ALA 34 2.622 4.695 -0.542 248 HB3 ALA 34 2HB ALA 34 4.093 3.929 0.057 249 H THR 35 H THR 35 5.290 2.128 -1.753 250 HA THR 35 HA THR 35 5.829 3.934 -3.809 251 HB THR 35 HB THR 35 7.105 1.222 -3.369 252 HG1 THR 35 1HG THR 35 7.141 2.730 -1.542 253 HG21 THR 35 3HG2 THR 35 9.057 2.183 -4.491 254 HG22 THR 35 1HG2 THR 35 8.168 3.683 -4.770 255 HG23 THR 35 2HG2 THR 35 7.654 2.192 -5.562 256 H ALA 36 H ALA 36 4.291 0.793 -3.886 257 HA ALA 36 HA ALA 36 4.485 0.273 -6.646 258 HB1 ALA 36 3HB ALA 36 2.299 -0.541 -4.738 259 HB2 ALA 36 1HB ALA 36 3.805 -1.416 -5.011 260 HB3 ALA 36 2HB ALA 36 2.626 -1.262 -6.314 261 H LEU 37 H LEU 37 1.968 1.933 -4.757 262 HA LEU 37 HA LEU 37 0.458 2.547 -7.114 263 HG LEU 37 HG LEU 37 1.117 3.238 -3.558 264 HB2 LEU 37 2HB LEU 37 -0.997 3.809 -5.580 265 HB3 LEU 37 1HB LEU 37 -0.748 2.150 -5.091 266 HD11 LEU 37 1HD1 LEU 37 -0.854 5.495 -3.894 267 HD12 LEU 37 2HD1 LEU 37 0.826 5.503 -4.428 268 HD13 LEU 37 3HD1 LEU 37 0.450 5.414 -2.708 269 HD21 LEU 37 3HD2 LEU 37 -0.802 1.933 -2.790 270 HD22 LEU 37 1HD2 LEU 37 -1.829 3.358 -2.924 271 HD23 LEU 37 2HD2 LEU 37 -0.512 3.328 -1.752 272 H LEU 38 H LEU 38 2.955 4.053 -5.296 273 HA LEU 38 HA LEU 38 2.525 6.733 -6.117 274 HG LEU 38 HG LEU 38 5.405 7.714 -6.171 275 HB2 LEU 38 2HB LEU 38 3.917 5.997 -4.181 276 HB3 LEU 38 1HB LEU 38 5.110 5.399 -5.314 277 HD11 LEU 38 1HD1 LEU 38 4.529 9.580 -4.855 278 HD12 LEU 38 2HD1 LEU 38 3.614 8.446 -3.859 279 HD13 LEU 38 3HD1 LEU 38 3.234 8.623 -5.572 280 HD21 LEU 38 3HD2 LEU 38 6.667 8.531 -4.245 281 HD22 LEU 38 1HD2 LEU 38 6.926 6.806 -4.502 282 HD23 LEU 38 2HD2 LEU 38 5.855 7.354 -3.211 283 H LYS 39 H LYS 39 4.165 3.998 -7.552 284 HA LYS 39 HA LYS 39 5.540 5.519 -9.532 285 HB2 LYS 39 2HB LYS 39 4.929 2.571 -9.353 286 HB3 LYS 39 1HB LYS 39 5.933 3.302 -10.591 287 HG2 LYS 39 2HG LYS 39 7.439 4.137 -8.799 288 HG3 LYS 39 1HG LYS 39 6.474 3.227 -7.637 289 HD2 LYS 39 2HD LYS 39 7.960 2.047 -9.989 290 HD3 LYS 39 1HD LYS 39 8.515 2.025 -8.317 291 HE2 LYS 39 2HE LYS 39 7.580 -0.092 -8.635 292 HE3 LYS 39 1HE LYS 39 6.319 0.813 -7.800 293 HZ1 LYS 39 3HZ LYS 39 5.546 -0.550 -9.721 294 HZ2 LYS 39 1HZ LYS 39 6.410 0.478 -10.751 295 HZ3 LYS 39 2HZ LYS 39 5.128 1.081 -9.822 296 H THR 40 H THR 40 2.517 3.675 -9.457 297 HA THR 40 HA THR 40 1.595 5.119 -11.790 298 HB THR 40 HB THR 40 1.719 2.095 -11.887 299 HG1 THR 40 1HG THR 40 3.453 4.075 -12.737 300 HG21 THR 40 3HG2 THR 40 0.815 4.120 -13.941 301 HG22 THR 40 1HG2 THR 40 -0.226 3.013 -13.048 302 HG23 THR 40 2HG2 THR 40 0.947 2.380 -14.204 303 H ALA 41 H ALA 41 0.605 2.034 -10.321 304 HA ALA 41 HA ALA 41 -1.293 1.320 -9.312 305 HB1 ALA 41 3HB ALA 41 -1.781 4.231 -8.700 306 HB2 ALA 41 1HB ALA 41 -0.892 3.095 -7.684 307 HB3 ALA 41 2HB ALA 41 -2.616 2.860 -7.970 308 H ILE 42 H ILE 42 -2.190 4.412 -10.800 309 HA ILE 42 HA ILE 42 -4.813 3.783 -11.445 310 HB ILE 42 HB ILE 42 -3.043 5.619 -13.071 311 HG12 ILE 42 2HG1 ILE 42 -4.540 6.213 -10.507 312 HG13 ILE 42 1HG1 ILE 42 -2.791 6.091 -10.658 313 HG21 ILE 42 1HG2 ILE 42 -5.261 5.221 -14.010 314 HG22 ILE 42 2HG2 ILE 42 -5.111 6.877 -13.423 315 HG23 ILE 42 3HG2 ILE 42 -5.999 5.684 -12.476 316 HD11 ILE 42 3HD1 ILE 42 -2.756 8.033 -12.104 317 HD12 ILE 42 1HD1 ILE 42 -3.565 8.408 -10.582 318 HD13 ILE 42 2HD1 ILE 42 -4.517 8.131 -12.041 319 H GLU 43 H GLU 43 -5.836 3.134 -13.412 320 HA GLU 43 HA GLU 43 -4.130 1.307 -14.951 321 HB2 GLU 43 2HB GLU 43 -5.951 0.287 -13.608 322 HB3 GLU 43 1HB GLU 43 -7.125 1.198 -14.549 323 HG2 GLU 43 2HG GLU 43 -6.879 -1.157 -15.262 324 HG3 GLU 43 1HG GLU 43 -6.533 0.004 -16.547 325 H ILE 44 H ILE 44 -4.304 1.173 -17.178 326 HA ILE 44 HA ILE 44 -5.511 3.543 -18.408 327 HB ILE 44 HB ILE 44 -3.841 3.092 -20.250 328 HG12 ILE 44 2HG1 ILE 44 -2.550 1.398 -18.105 329 HG13 ILE 44 1HG1 ILE 44 -3.274 0.785 -19.589 330 HG21 ILE 44 1HG2 ILE 44 -3.609 4.937 -18.690 331 HG22 ILE 44 2HG2 ILE 44 -2.033 4.253 -19.086 332 HG23 ILE 44 3HG2 ILE 44 -2.794 3.875 -17.540 333 HD11 ILE 44 3HD1 ILE 44 -0.860 0.873 -19.761 334 HD12 ILE 44 1HD1 ILE 44 -0.882 2.601 -19.407 335 HD13 ILE 44 2HD1 ILE 44 -1.609 1.997 -20.896 336 H VAL 45 H VAL 45 -7.134 3.234 -19.745 337 HA VAL 45 HA VAL 45 -7.439 0.607 -21.021 338 HB VAL 45 HB VAL 45 -9.738 1.460 -21.667 339 HG11 VAL 45 1HG1 VAL 45 -9.108 1.218 -18.727 340 HG12 VAL 45 2HG1 VAL 45 -9.407 -0.115 -19.843 341 HG13 VAL 45 3HG1 VAL 45 -10.701 1.018 -19.455 342 HG21 VAL 45 3HG2 VAL 45 -9.079 3.607 -19.650 343 HG22 VAL 45 1HG2 VAL 45 -10.668 3.307 -20.355 344 HG23 VAL 45 2HG2 VAL 45 -9.338 3.847 -21.378 345 H SER 46 H SER 46 -6.403 0.509 -22.899 346 HA SER 46 HA SER 46 -6.104 2.994 -24.414 347 HG SER 46 HG SER 46 -3.077 1.872 -25.793 348 HB2 SER 46 2HB SER 46 -4.040 1.816 -23.753 349 HB3 SER 46 1HB SER 46 -4.549 0.420 -24.694 350 H GLU 47 H GLU 47 -6.875 3.284 -26.316 351 HA GLU 47 HA GLU 47 -8.186 1.052 -27.725 352 HB2 GLU 47 2HB GLU 47 -8.721 4.015 -28.039 353 HB3 GLU 47 1HB GLU 47 -9.631 2.703 -28.770 354 HG2 GLU 47 2HG GLU 47 -10.473 2.025 -26.622 355 HG3 GLU 47 1HG GLU 47 -9.449 3.210 -25.812 356 H GLU 48 H GLU 48 -7.378 0.563 -29.737 357 HA GLU 48 HA GLU 48 -4.944 1.802 -30.543 358 HB2 GLU 48 2HB GLU 48 -5.375 -0.562 -31.020 359 HB3 GLU 48 1HB GLU 48 -6.724 -0.116 -32.058 360 HG2 GLU 48 2HG GLU 48 -5.238 0.964 -33.609 361 HG3 GLU 48 1HG GLU 48 -3.864 0.682 -32.541 362 H ASP 49 H ASP 49 -8.275 1.962 -31.622 363 HA ASP 49 HA ASP 49 -7.866 3.793 -33.744 364 HB2 ASP 49 2HB ASP 49 -9.932 2.595 -33.695 365 HB3 ASP 49 1HB ASP 49 -10.286 3.143 -32.058 366 H GLY 50 H GLY 50 -8.894 4.267 -30.374 367 HA2 GLY 50 2HA GLY 50 -8.723 7.151 -30.651 368 HA3 GLY 50 1HA GLY 50 -9.230 6.266 -29.220 369 H GLY 51 H GLY 51 -7.807 5.960 -27.607 370 HA2 GLY 51 2HA GLY 51 -4.984 5.963 -28.015 371 HA3 GLY 51 1HA GLY 51 -5.556 7.456 -27.279 372 H ALA 52 H ALA 52 -4.055 6.533 -25.601 373 HA ALA 52 HA ALA 52 -5.223 4.423 -23.964 374 HB1 ALA 52 3HB ALA 52 -2.805 4.380 -24.375 375 HB2 ALA 52 1HB ALA 52 -3.162 4.572 -22.659 376 HB3 ALA 52 2HB ALA 52 -2.652 5.963 -23.614 377 H HIS 53 H HIS 53 -6.644 4.937 -22.428 378 HA HIS 53 HA HIS 53 -6.656 7.698 -21.413 379 HD1 HIS 53 1HD HIS 53 -8.943 9.010 -22.776 380 HD2 HIS 53 2HD HIS 53 -9.308 4.992 -23.779 381 HE1 HIS 53 1HE HIS 53 -9.661 8.973 -25.173 382 HE2 HIS 53 2HE HIS 53 -10.094 6.537 -25.693 383 HB2 HIS 53 2HB HIS 53 -8.817 5.603 -21.153 384 HB3 HIS 53 1HB HIS 53 -8.947 7.308 -20.737 385 H ASN 54 H ASN 54 -5.988 8.082 -19.378 386 HA ASN 54 HA ASN 54 -5.345 5.768 -17.701 387 HB2 ASN 54 2HB ASN 54 -3.694 7.657 -18.149 388 HB3 ASN 54 1HB ASN 54 -4.714 8.667 -17.132 389 HD21 ASN 54 2HD2 ASN 54 -2.640 7.718 -14.517 390 HD22 ASN 54 1HD2 ASN 54 -3.168 8.971 -15.579 391 H GLN 55 H GLN 55 -6.968 5.075 -16.421 392 HA GLN 55 HA GLN 55 -8.657 7.110 -15.126 393 HB2 GLN 55 2HB GLN 55 -10.584 5.491 -15.390 394 HB3 GLN 55 1HB GLN 55 -10.034 6.284 -16.857 395 HG2 GLN 55 2HG GLN 55 -10.285 4.153 -17.611 396 HG3 GLN 55 1HG GLN 55 -8.594 4.114 -17.126 397 HE21 GLN 55 2HE2 GLN 55 -9.409 1.130 -15.534 398 HE22 GLN 55 1HE2 GLN 55 -8.599 1.911 -16.845 399 H CYS 56 H CYS 56 -9.214 6.782 -13.039 400 HA CYS 56 HA CYS 56 -7.712 4.684 -11.677 401 HG CYS 56 HG CYS 56 -6.612 5.854 -8.807 402 HB2 CYS 56 2HB CYS 56 -7.551 7.053 -10.905 403 HB3 CYS 56 1HB CYS 56 -9.258 6.992 -10.481 404 H LYS 57 H LYS 57 -8.666 2.841 -11.287 405 HA LYS 57 HA LYS 57 -11.442 2.390 -11.646 406 HB2 LYS 57 2HB LYS 57 -9.039 0.863 -11.337 407 HB3 LYS 57 1HB LYS 57 -10.251 0.229 -10.236 408 HG2 LYS 57 2HG LYS 57 -10.792 0.678 -13.154 409 HG3 LYS 57 1HG LYS 57 -10.124 -0.828 -12.525 410 HD2 LYS 57 2HD LYS 57 -12.101 -1.012 -11.028 411 HD3 LYS 57 1HD LYS 57 -12.774 0.420 -11.807 412 HE2 LYS 57 2HE LYS 57 -12.095 -2.179 -13.184 413 HE3 LYS 57 1HE LYS 57 -13.714 -1.648 -12.729 414 HZ1 LYS 57 3HZ LYS 57 -11.912 -0.408 -14.735 415 HZ2 LYS 57 1HZ LYS 57 -13.343 0.323 -14.177 416 HZ3 LYS 57 2HZ LYS 57 -13.408 -1.156 -15.009 417 H LEU 58 H LEU 58 -9.767 3.639 -9.047 418 HA LEU 58 HA LEU 58 -11.324 2.266 -7.008 419 HG LEU 58 HG LEU 58 -10.339 3.180 -4.505 420 HB2 LEU 58 2HB LEU 58 -8.747 2.802 -7.045 421 HB3 LEU 58 1HB LEU 58 -9.279 4.338 -6.387 422 HD11 LEU 58 1HD1 LEU 58 -10.902 1.096 -5.633 423 HD12 LEU 58 2HD1 LEU 58 -9.951 0.781 -4.180 424 HD13 LEU 58 3HD1 LEU 58 -9.190 0.695 -5.771 425 HD21 LEU 58 3HD2 LEU 58 -8.303 2.469 -3.387 426 HD22 LEU 58 1HD2 LEU 58 -8.011 3.925 -4.338 427 HD23 LEU 58 2HD2 LEU 58 -7.474 2.356 -4.939 428 H CYS 59 H CYS 59 -11.091 5.397 -8.534 429 HA CYS 59 HA CYS 59 -13.172 6.360 -6.686 430 HG CYS 59 HG CYS 59 -10.465 9.558 -8.561 431 HB2 CYS 59 2HB CYS 59 -12.302 8.649 -7.009 432 HB3 CYS 59 1HB CYS 59 -11.124 7.579 -6.258 433 H GLY 60 H GLY 60 -12.227 5.832 -9.936 434 HA2 GLY 60 2HA GLY 60 -13.704 5.739 -11.740 435 HA3 GLY 60 1HA GLY 60 -14.859 6.688 -10.818 436 H ALA 61 H ALA 61 -11.757 8.037 -10.731 437 HA ALA 61 HA ALA 61 -12.597 10.230 -12.407 438 HB1 ALA 61 3HB ALA 61 -11.362 10.653 -10.337 439 HB2 ALA 61 1HB ALA 61 -10.503 11.291 -11.739 440 HB3 ALA 61 2HB ALA 61 -9.971 9.785 -10.986 441 H SER 62 H SER 62 -11.991 10.649 -14.453 442 HA SER 62 HA SER 62 -10.147 8.720 -15.701 443 HG SER 62 HG SER 62 -13.416 8.686 -15.930 444 HB2 SER 62 2HB SER 62 -12.411 10.268 -16.987 445 HB3 SER 62 1HB SER 62 -11.365 9.102 -17.796 446 H VAL 63 H VAL 63 -8.296 9.471 -16.397 447 HA VAL 63 HA VAL 63 -8.022 12.325 -17.088 448 HB VAL 63 HB VAL 63 -5.860 10.290 -16.462 449 HG11 VAL 63 1HG1 VAL 63 -4.343 12.216 -16.371 450 HG12 VAL 63 2HG1 VAL 63 -5.666 13.272 -16.869 451 HG13 VAL 63 3HG1 VAL 63 -5.071 12.028 -17.966 452 HG21 VAL 63 3HG2 VAL 63 -5.545 11.540 -14.371 453 HG22 VAL 63 1HG2 VAL 63 -7.134 10.780 -14.474 454 HG23 VAL 63 2HG2 VAL 63 -6.963 12.512 -14.758 455 HA PRO 64 HA PRO 64 -7.931 11.292 -21.441 456 HB2 PRO 64 1HB PRO 64 -7.433 13.354 -22.222 457 HB3 PRO 64 2HB PRO 64 -5.722 13.001 -21.981 458 HG2 PRO 64 2HG PRO 64 -5.646 14.090 -19.974 459 HG3 PRO 64 1HG PRO 64 -7.063 14.940 -20.614 460 HD2 PRO 64 2HD PRO 64 -7.170 13.627 -18.282 461 HD3 PRO 64 1HD PRO 64 -8.553 13.627 -19.399 462 H TRP 65 H TRP 65 -4.656 11.916 -20.207 463 HA TRP 65 HA TRP 65 -3.761 9.307 -20.096 464 HD1 TRP 65 HD TRP 65 -1.101 9.863 -24.047 465 HE1 TRP 65 1HE TRP 65 0.860 8.252 -23.615 466 HE3 TRP 65 3HE TRP 65 -2.726 7.779 -19.678 467 HZ2 TRP 65 2HZ TRP 65 1.616 6.355 -21.672 468 HZ3 TRP 65 3HZ TRP 65 -1.318 6.079 -18.593 469 HH2 TRP 65 HH TRP 65 0.805 5.383 -19.571 470 HB2 TRP 65 2HB TRP 65 -3.957 9.206 -22.502 471 HB3 TRP 65 1HB TRP 65 -3.078 10.718 -22.681 472 H LEU 66 H LEU 66 -2.091 12.047 -21.593 473 HA LEU 66 HA LEU 66 -0.314 12.074 -19.260 474 HG LEU 66 HG LEU 66 0.456 10.405 -21.701 475 HB2 LEU 66 2HB LEU 66 0.228 12.793 -22.132 476 HB3 LEU 66 1HB LEU 66 1.339 13.153 -20.825 477 HD11 LEU 66 1HD1 LEU 66 3.104 11.826 -21.933 478 HD12 LEU 66 2HD1 LEU 66 2.007 11.434 -23.258 479 HD13 LEU 66 3HD1 LEU 66 2.803 10.141 -22.359 480 HD21 LEU 66 3HD2 LEU 66 0.803 10.493 -19.292 481 HD22 LEU 66 1HD2 LEU 66 2.388 11.228 -19.537 482 HD23 LEU 66 2HD2 LEU 66 2.088 9.578 -20.081 483 H GLN 67 H GLN 67 -1.362 13.501 -18.008 484 HA GLN 67 HA GLN 67 -1.006 16.293 -18.844 485 HB2 GLN 67 2HB GLN 67 -3.421 15.853 -18.862 486 HB3 GLN 67 1HB GLN 67 -3.334 15.204 -17.230 487 HG2 GLN 67 2HG GLN 67 -2.560 17.465 -16.471 488 HG3 GLN 67 1HG GLN 67 -2.913 18.055 -18.095 489 HE21 GLN 67 2HE2 GLN 67 -6.483 17.044 -17.461 490 HE22 GLN 67 1HE2 GLN 67 -5.235 16.395 -18.468 491 H THR 68 H THR 68 -2.316 15.415 -15.771 492 HA THR 68 HA THR 68 0.249 14.968 -14.518 493 HB THR 68 HB THR 68 -1.496 17.110 -13.304 494 HG1 THR 68 1HG THR 68 -0.503 18.649 -14.466 495 HG21 THR 68 3HG2 THR 68 1.433 16.424 -13.032 496 HG22 THR 68 1HG2 THR 68 0.164 15.993 -11.886 497 HG23 THR 68 2HG2 THR 68 0.581 17.686 -12.144 498 H GLY 69 H GLY 69 -0.335 13.007 -13.805 499 HA2 GLY 69 2HA GLY 69 -2.973 12.181 -13.407 500 HA3 GLY 69 1HA GLY 69 -1.548 11.286 -12.916 501 H ASP 70 H ASP 70 -0.781 13.608 -11.097 502 HA ASP 70 HA ASP 70 -2.481 12.641 -8.919 503 HB2 ASP 70 2HB ASP 70 -0.031 12.256 -8.773 504 HB3 ASP 70 1HB ASP 70 0.208 13.999 -8.730 505 H GLU 71 H GLU 71 -2.359 15.289 -10.867 506 HA GLU 71 HA GLU 71 -3.038 17.173 -8.726 507 HB2 GLU 71 2HB GLU 71 -2.511 17.602 -11.667 508 HB3 GLU 71 1HB GLU 71 -3.089 18.873 -10.597 509 HG2 GLU 71 2HG GLU 71 -0.510 17.354 -10.280 510 HG3 GLU 71 1HG GLU 71 -0.671 18.974 -10.949 511 H ILE 72 H ILE 72 -4.622 14.907 -10.387 512 HA ILE 72 HA ILE 72 -7.062 16.426 -10.818 513 HB ILE 72 HB ILE 72 -6.446 14.533 -12.335 514 HG12 ILE 72 2HG1 ILE 72 -9.034 14.113 -10.823 515 HG13 ILE 72 1HG1 ILE 72 -8.788 15.317 -12.084 516 HG21 ILE 72 1HG2 ILE 72 -5.475 13.019 -10.722 517 HG22 ILE 72 2HG2 ILE 72 -6.817 12.227 -11.548 518 HG23 ILE 72 3HG2 ILE 72 -7.031 12.842 -9.909 519 HD11 ILE 72 3HD1 ILE 72 -9.958 13.383 -12.943 520 HD12 ILE 72 1HD1 ILE 72 -8.640 12.332 -12.426 521 HD13 ILE 72 2HD1 ILE 72 -8.370 13.526 -13.696 522 H LYS 73 H LYS 73 -9.044 15.904 -9.634 523 HA LYS 73 HA LYS 73 -8.637 15.834 -6.853 524 HB2 LYS 73 2HB LYS 73 -11.172 15.346 -8.423 525 HB3 LYS 73 1HB LYS 73 -11.100 15.616 -6.689 526 HG2 LYS 73 2HG LYS 73 -10.294 17.575 -8.829 527 HG3 LYS 73 1HG LYS 73 -11.753 17.640 -7.839 528 HD2 LYS 73 2HD LYS 73 -10.395 17.908 -5.835 529 HD3 LYS 73 1HD LYS 73 -8.923 17.802 -6.803 530 HE2 LYS 73 2HE LYS 73 -9.577 19.821 -8.018 531 HE3 LYS 73 1HE LYS 73 -11.056 19.920 -7.062 532 HZ1 LYS 73 3HZ LYS 73 -9.655 20.139 -5.065 533 HZ2 LYS 73 1HZ LYS 73 -9.417 21.409 -6.166 534 HZ3 LYS 73 2HZ LYS 73 -8.274 20.162 -6.044 535 H HIS 74 H HIS 74 -8.500 14.256 -5.426 536 HA HIS 74 HA HIS 74 -8.745 11.490 -6.386 537 HD1 HIS 74 1HD HIS 74 -6.154 14.370 -4.808 538 HD2 HIS 74 2HD HIS 74 -5.335 10.589 -6.333 539 HE1 HIS 74 1HE HIS 74 -3.936 14.577 -5.969 540 HE2 HIS 74 2HE HIS 74 -3.359 12.237 -6.694 541 HB2 HIS 74 2HB HIS 74 -7.562 12.449 -3.768 542 HB3 HIS 74 1HB HIS 74 -7.403 10.852 -4.484 543 H ALA 75 H ALA 75 -9.442 9.982 -4.430 544 HA ALA 75 HA ALA 75 -11.944 11.057 -3.369 545 HB1 ALA 75 3HB ALA 75 -12.079 8.903 -4.513 546 HB2 ALA 75 1HB ALA 75 -12.491 8.735 -2.807 547 HB3 ALA 75 2HB ALA 75 -10.906 8.223 -3.386 548 H ASP 76 H ASP 76 -12.361 11.143 -1.152 549 HA ASP 76 HA ASP 76 -10.067 11.662 0.455 550 HB2 ASP 76 2HB ASP 76 -12.979 11.473 1.241 551 HB3 ASP 76 1HB ASP 76 -11.695 12.170 2.211 552 H ASP 77 H ASP 77 -11.854 8.866 -0.202 553 HA ASP 77 HA ASP 77 -11.008 7.570 2.301 554 HB2 ASP 77 2HB ASP 77 -13.452 7.614 1.709 555 HB3 ASP 77 1HB ASP 77 -13.076 6.616 0.314 556 H CYS 78 H CYS 78 -9.825 7.976 -0.673 557 HA CYS 78 HA CYS 78 -9.329 5.213 -1.349 558 HG CYS 78 HG CYS 78 -8.231 9.133 -1.954 559 HB2 CYS 78 2HB CYS 78 -8.205 6.000 -3.313 560 HB3 CYS 78 1HB CYS 78 -9.677 6.936 -3.121 561 HA PRO 79 HA PRO 79 -5.756 4.380 1.085 562 HB2 PRO 79 1HB PRO 79 -4.866 2.444 0.177 563 HB3 PRO 79 2HB PRO 79 -4.919 3.072 -1.476 564 HG2 PRO 79 2HG PRO 79 -6.789 1.683 -1.483 565 HG3 PRO 79 1HG PRO 79 -7.143 2.007 0.224 566 HD2 PRO 79 2HD PRO 79 -7.779 3.629 -2.183 567 HD3 PRO 79 1HD PRO 79 -8.669 3.474 -0.656 568 H VAL 80 H VAL 80 -5.440 5.696 -2.160 569 HA VAL 80 HA VAL 80 -2.713 6.163 -2.273 570 HB VAL 80 HB VAL 80 -4.876 7.935 -3.425 571 HG11 VAL 80 1HG1 VAL 80 -3.185 8.507 -5.115 572 HG12 VAL 80 2HG1 VAL 80 -1.997 7.541 -4.240 573 HG13 VAL 80 3HG1 VAL 80 -2.681 8.984 -3.491 574 HG21 VAL 80 3HG2 VAL 80 -5.206 5.605 -4.065 575 HG22 VAL 80 1HG2 VAL 80 -3.531 5.505 -4.604 576 HG23 VAL 80 2HG2 VAL 80 -4.666 6.562 -5.446 577 H VAL 81 H VAL 81 -5.256 8.096 -0.776 578 HA VAL 81 HA VAL 81 -3.580 10.335 -0.206 579 HB VAL 81 HB VAL 81 -6.221 9.553 1.048 580 HG11 VAL 81 1HG1 VAL 81 -4.994 11.142 2.436 581 HG12 VAL 81 2HG1 VAL 81 -6.383 11.920 1.675 582 HG13 VAL 81 3HG1 VAL 81 -4.760 12.195 1.041 583 HG21 VAL 81 3HG2 VAL 81 -7.205 11.146 -0.506 584 HG22 VAL 81 1HG2 VAL 81 -6.370 9.860 -1.375 585 HG23 VAL 81 2HG2 VAL 81 -5.621 11.450 -1.218 586 H ILE 82 H ILE 82 -4.723 7.575 1.686 587 HA ILE 82 HA ILE 82 -3.523 8.390 4.130 588 HB ILE 82 HB ILE 82 -4.335 5.610 3.255 589 HG12 ILE 82 2HG1 ILE 82 -6.215 7.184 3.133 590 HG13 ILE 82 1HG1 ILE 82 -6.429 6.061 4.469 591 HG21 ILE 82 1HG2 ILE 82 -2.841 5.575 5.173 592 HG22 ILE 82 2HG2 ILE 82 -4.479 5.131 5.653 593 HG23 ILE 82 3HG2 ILE 82 -3.864 6.745 6.011 594 HD11 ILE 82 3HD1 ILE 82 -5.461 8.895 4.695 595 HD12 ILE 82 1HD1 ILE 82 -5.669 7.768 6.035 596 HD13 ILE 82 2HD1 ILE 82 -7.071 8.308 5.109 597 H ALA 83 H ALA 83 -2.519 6.234 1.513 598 HA ALA 83 HA ALA 83 -0.190 5.212 2.670 599 HB1 ALA 83 3HB ALA 83 -1.190 4.311 0.617 600 HB2 ALA 83 1HB ALA 83 0.521 4.674 0.403 601 HB3 ALA 83 2HB ALA 83 -0.699 5.763 -0.257 602 H LYS 84 H LYS 84 -0.780 8.208 0.918 603 HA LYS 84 HA LYS 84 1.901 9.047 0.679 604 HB2 LYS 84 2HB LYS 84 -0.671 10.607 0.849 605 HB3 LYS 84 1HB LYS 84 0.888 11.379 0.619 606 HG2 LYS 84 2HG LYS 84 1.189 10.036 -1.445 607 HG3 LYS 84 1HG LYS 84 -0.455 9.425 -1.231 608 HD2 LYS 84 2HD LYS 84 -1.329 11.694 -1.341 609 HD3 LYS 84 1HD LYS 84 0.308 12.328 -1.504 610 HE2 LYS 84 2HE LYS 84 0.545 11.034 -3.608 611 HE3 LYS 84 1HE LYS 84 -1.145 10.546 -3.456 612 HZ1 LYS 84 3HZ LYS 84 -0.974 12.426 -4.927 613 HZ2 LYS 84 1HZ LYS 84 -0.129 13.319 -3.756 614 HZ3 LYS 84 2HZ LYS 84 -1.755 12.912 -3.500 615 H GLN 85 H GLN 85 -0.509 9.562 3.213 616 HA GLN 85 HA GLN 85 0.992 11.255 4.852 617 HB2 GLN 85 2HB GLN 85 -1.129 9.237 5.606 618 HB3 GLN 85 1HB GLN 85 -0.580 10.562 6.609 619 HG2 GLN 85 2HG GLN 85 -1.421 12.166 4.984 620 HG3 GLN 85 1HG GLN 85 -1.947 10.838 3.952 621 HE21 GLN 85 2HE2 GLN 85 -5.065 11.251 5.420 622 HE22 GLN 85 1HE2 GLN 85 -4.083 11.416 4.010 623 H ILE 86 H ILE 86 0.823 7.749 4.620 624 HA ILE 86 HA ILE 86 2.413 7.230 6.928 625 HB ILE 86 HB ILE 86 1.838 5.422 4.571 626 HG12 ILE 86 2HG1 ILE 86 0.440 5.640 7.252 627 HG13 ILE 86 1HG1 ILE 86 -0.200 6.236 5.725 628 HG21 ILE 86 1HG2 ILE 86 2.364 3.600 6.151 629 HG22 ILE 86 2HG2 ILE 86 2.843 4.806 7.346 630 HG23 ILE 86 3HG2 ILE 86 3.749 4.649 5.842 631 HD11 ILE 86 3HD1 ILE 86 -1.212 4.116 6.337 632 HD12 ILE 86 1HD1 ILE 86 0.382 3.362 6.388 633 HD13 ILE 86 2HD1 ILE 86 -0.262 3.956 4.857 634 H LEU 87 H LEU 87 3.135 7.433 3.440 635 HA LEU 87 HA LEU 87 5.845 6.598 3.816 636 HG LEU 87 HG LEU 87 3.423 8.361 1.601 637 HB2 LEU 87 2HB LEU 87 6.181 7.183 1.458 638 HB3 LEU 87 1HB LEU 87 4.792 6.149 1.706 639 HD11 LEU 87 1HD1 LEU 87 5.924 9.210 0.141 640 HD12 LEU 87 2HD1 LEU 87 5.360 9.873 1.674 641 HD13 LEU 87 3HD1 LEU 87 4.398 10.093 0.213 642 HD21 LEU 87 3HD2 LEU 87 3.283 6.587 -0.048 643 HD22 LEU 87 1HD2 LEU 87 4.748 7.175 -0.836 644 HD23 LEU 87 2HD2 LEU 87 3.286 8.164 -0.840 645 H SER 88 H SER 88 4.248 9.568 4.238 646 HA SER 88 HA SER 88 6.540 11.236 3.821 647 HG SER 88 HG SER 88 3.558 11.480 3.090 648 HB2 SER 88 2HB SER 88 3.927 11.762 5.261 649 HB3 SER 88 1HB SER 88 5.144 12.980 4.891 650 H SER 89 H SER 89 8.112 10.150 5.071 651 HA SER 89 HA SER 89 7.772 9.700 7.863 652 HG SER 89 HG SER 89 9.727 8.597 8.737 653 HB2 SER 89 2HB SER 89 9.301 8.350 6.462 654 HB3 SER 89 1HB SER 89 10.314 9.772 6.219 655 H ARG 90 H ARG 90 7.133 11.684 8.705 656 HA ARG 90 HA ARG 90 9.210 13.350 9.669 657 HE ARG 90 HE ARG 90 8.718 13.975 5.484 658 HB2 ARG 90 2HB ARG 90 8.529 15.454 8.573 659 HB3 ARG 90 1HB ARG 90 9.145 14.285 7.413 660 HG2 ARG 90 2HG ARG 90 6.703 13.664 7.011 661 HG3 ARG 90 1HG ARG 90 6.316 15.157 7.870 662 HD2 ARG 90 2HD ARG 90 6.371 15.553 5.475 663 HD3 ARG 90 1HD ARG 90 7.689 16.416 6.266 664 HH11 ARG 90 1HH1 ARG 90 7.357 16.807 3.933 665 HH12 ARG 90 2HH1 ARG 90 8.203 16.540 2.435 666 HH21 ARG 90 2HH2 ARG 90 9.671 14.777 2.240 667 HH22 ARG 90 1HH2 ARG 90 9.869 13.654 3.557 668 HA PRO 91 HA PRO 91 6.095 13.942 12.745 669 HB2 PRO 91 1HB PRO 91 7.102 15.249 14.327 670 HB3 PRO 91 2HB PRO 91 7.279 16.611 13.217 671 HG2 PRO 91 2HG PRO 91 9.490 15.928 13.334 672 HG3 PRO 91 1HG PRO 91 9.047 14.230 13.599 673 HD2 PRO 91 2HD PRO 91 9.112 15.801 11.051 674 HD3 PRO 91 1HD PRO 91 9.610 14.122 11.354 675 H LYS 92 H LYS 92 4.075 14.349 12.084 676 HA LYS 92 HA LYS 92 3.509 16.993 10.924 677 HB2 LYS 92 2HB LYS 92 2.397 14.285 10.274 678 HB3 LYS 92 1HB LYS 92 1.440 15.728 9.972 679 HG2 LYS 92 2HG LYS 92 4.210 15.303 8.877 680 HG3 LYS 92 1HG LYS 92 2.729 14.893 8.008 681 HD2 LYS 92 2HD LYS 92 2.007 17.259 8.219 682 HD3 LYS 92 1HD LYS 92 3.559 17.632 8.971 683 HE2 LYS 92 2HE LYS 92 4.743 17.060 6.978 684 HE3 LYS 92 1HE LYS 92 3.284 16.414 6.230 685 HZ1 LYS 92 3HZ LYS 92 3.877 19.260 6.853 686 HZ2 LYS 92 1HZ LYS 92 2.353 18.702 6.349 687 HZ3 LYS 92 2HZ LYS 92 3.689 18.550 5.324 688 H LEU 93 H LEU 93 2.292 18.257 12.095 689 HA LEU 93 HA LEU 93 0.797 17.262 14.366 690 HG LEU 93 HG LEU 93 -0.433 19.503 15.549 691 HB2 LEU 93 2HB LEU 93 2.175 19.511 14.026 692 HB3 LEU 93 1HB LEU 93 0.652 20.085 13.386 693 HD11 LEU 93 1HD1 LEU 93 0.960 19.014 17.479 694 HD12 LEU 93 2HD1 LEU 93 2.393 18.983 16.452 695 HD13 LEU 93 3HD1 LEU 93 1.138 17.762 16.247 696 HD21 LEU 93 3HD2 LEU 93 0.329 21.776 15.105 697 HD22 LEU 93 1HD2 LEU 93 1.925 21.370 15.735 698 HD23 LEU 93 2HD2 LEU 93 0.525 21.361 16.809 699 H HIS 94 H HIS 94 -1.513 18.690 14.444 700 HA HIS 94 HA HIS 94 -3.112 17.544 12.406 701 HD1 HIS 94 1HD HIS 94 -2.599 19.256 16.252 702 HD2 HIS 94 2HD HIS 94 -5.059 21.600 13.845 703 HE1 HIS 94 1HE HIS 94 -2.654 21.524 17.336 704 HE2 HIS 94 2HE HIS 94 -4.327 22.844 15.998 705 HB2 HIS 94 2HB HIS 94 -4.978 18.893 13.351 706 HB3 HIS 94 1HB HIS 94 -4.136 17.927 14.549 707 H ALA 95 H ALA 95 -2.423 18.158 10.433 708 HA ALA 95 HA ALA 95 -2.772 20.997 9.745 709 HB1 ALA 95 3HB ALA 95 -0.855 19.052 8.465 710 HB2 ALA 95 1HB ALA 95 -0.416 20.287 9.644 711 HB3 ALA 95 2HB ALA 95 -1.044 20.759 8.065 712 H VAL 96 H VAL 96 -4.986 20.460 9.361 713 HA VAL 96 HA VAL 96 -5.397 19.108 6.776 714 HB VAL 96 HB VAL 96 -7.417 19.400 9.016 715 HG11 VAL 96 1HG1 VAL 96 -8.423 19.364 6.790 716 HG12 VAL 96 2HG1 VAL 96 -8.790 17.882 7.673 717 HG13 VAL 96 3HG1 VAL 96 -7.555 17.875 6.414 718 HG21 VAL 96 3HG2 VAL 96 -5.858 16.974 8.120 719 HG22 VAL 96 1HG2 VAL 96 -7.174 16.962 9.291 720 HG23 VAL 96 2HG2 VAL 96 -5.680 17.826 9.653 721 HA MET 1 HA MET 1 -24.260 0.044 -4.663 722 H1 MET 1 1H MET 1 -24.700 2.194 -5.627 723 H2 MET 1 2H MET 1 -23.187 1.618 -6.112 724 H3 MET 1 3H MET 1 -23.292 2.834 -4.933 725 HB2 MET 1 2HB MET 1 -22.455 -0.270 -3.081 726 HB3 MET 1 1HB MET 1 -21.794 0.280 -4.614 727 HG2 MET 1 2HG MET 1 -21.564 2.533 -3.725 728 HG3 MET 1 1HG MET 1 -22.271 2.011 -2.196 729 HE1 MET 1 3HE MET 1 -20.226 2.936 -0.815 730 HE2 MET 1 1HE MET 1 -19.521 3.539 -2.314 731 HE3 MET 1 2HE MET 1 -18.544 2.579 -1.203 732 H GLY 2 H GLY 2 -25.223 3.041 -4.036 733 HA2 GLY 2 2HA GLY 2 -26.816 3.769 -2.523 734 HA3 GLY 2 1HA GLY 2 -26.668 2.236 -1.680 735 H SER 3 H SER 3 -25.118 5.374 -2.153 736 HA SER 3 HA SER 3 -23.830 5.068 0.474 737 HG SER 3 HG SER 3 -21.164 5.650 -1.487 738 HB2 SER 3 2HB SER 3 -23.239 7.053 -1.740 739 HB3 SER 3 1HB SER 3 -22.351 6.908 -0.224 740 H SER 4 H SER 4 -25.432 5.653 1.879 741 HA SER 4 HA SER 4 -26.408 8.413 1.632 742 HG SER 4 HG SER 4 -27.495 6.894 0.076 743 HB2 SER 4 2HB SER 4 -28.068 6.038 2.503 744 HB3 SER 4 1HB SER 4 -28.614 7.713 2.409 745 H HIS 5 H HIS 5 -25.188 9.311 3.178 746 HA HIS 5 HA HIS 5 -24.739 10.100 5.249 747 HD1 HIS 5 1HD HIS 5 -26.365 8.149 8.753 748 HD2 HIS 5 2HD HIS 5 -26.010 11.964 7.124 749 HE1 HIS 5 1HE HIS 5 -26.021 9.698 10.708 750 HE2 HIS 5 2HE HIS 5 -25.619 11.966 9.684 751 HB2 HIS 5 2HB HIS 5 -27.204 9.738 5.603 752 HB3 HIS 5 1HB HIS 5 -26.812 8.174 6.305 753 H HIS 6 H HIS 6 -22.734 9.557 5.733 754 HA HIS 6 HA HIS 6 -22.153 6.826 6.643 755 HD1 HIS 6 1HD HIS 6 -20.897 8.964 3.296 756 HD2 HIS 6 2HD HIS 6 -19.965 5.281 4.993 757 HE1 HIS 6 1HE HIS 6 -20.619 7.375 1.366 758 HE2 HIS 6 2HE HIS 6 -19.797 5.233 2.412 759 HB2 HIS 6 2HB HIS 6 -20.368 9.100 5.769 760 HB3 HIS 6 1HB HIS 6 -19.737 7.656 6.551 761 H HIS 7 H HIS 7 -22.999 6.869 8.715 762 HA HIS 7 HA HIS 7 -22.137 8.982 10.519 763 HD1 HIS 7 1HD HIS 7 -24.764 6.179 13.257 764 HD2 HIS 7 2HD HIS 7 -22.634 9.740 12.995 765 HE1 HIS 7 1HE HIS 7 -24.442 6.951 15.628 766 HE2 HIS 7 2HE HIS 7 -22.985 9.005 15.453 767 HB2 HIS 7 2HB HIS 7 -24.462 8.346 10.710 768 HB3 HIS 7 1HB HIS 7 -24.026 6.656 10.936 769 H HIS 8 H HIS 8 -19.899 8.380 10.365 770 HA HIS 8 HA HIS 8 -19.100 7.278 12.788 771 HD1 HIS 8 1HD HIS 8 -16.616 3.720 11.108 772 HD2 HIS 8 2HD HIS 8 -18.007 5.881 14.382 773 HE1 HIS 8 1HE HIS 8 -15.146 3.053 13.039 774 HE2 HIS 8 2HE HIS 8 -15.901 4.500 14.973 775 HB2 HIS 8 2HB HIS 8 -19.614 5.088 11.637 776 HB3 HIS 8 1HB HIS 8 -18.341 5.468 10.480 777 H HIS 9 H HIS 9 -17.793 9.007 13.004 778 HA HIS 9 HA HIS 9 -15.338 8.871 11.498 779 HD1 HIS 9 1HD HIS 9 -18.740 11.472 12.178 780 HD2 HIS 9 2HD HIS 9 -15.130 13.462 11.605 781 HE1 HIS 9 1HE HIS 9 -19.088 13.790 13.090 782 HE2 HIS 9 2HE HIS 9 -16.939 15.023 12.596 783 HB2 HIS 9 2HB HIS 9 -15.309 11.003 10.557 784 HB3 HIS 9 1HB HIS 9 -16.952 10.470 10.259 785 H HIS 10 H HIS 10 -13.901 8.732 13.014 786 HA HIS 10 HA HIS 10 -14.160 10.439 15.395 787 HD1 HIS 10 1HD HIS 10 -11.203 7.220 16.811 788 HD2 HIS 10 2HD HIS 10 -13.784 10.197 18.149 789 HE1 HIS 10 1HE HIS 10 -10.312 7.937 19.054 790 HE2 HIS 10 2HE HIS 10 -11.759 9.887 19.732 791 HB2 HIS 10 2HB HIS 10 -14.501 8.098 16.010 792 HB3 HIS 10 1HB HIS 10 -13.006 7.643 15.202 793 H SER 11 H SER 11 -12.752 12.030 15.195 794 HA SER 11 HA SER 11 -10.387 11.675 13.552 795 HG SER 11 HG SER 11 -11.321 14.280 15.910 796 HB2 SER 11 2HB SER 11 -10.146 14.159 13.945 797 HB3 SER 11 1HB SER 11 -11.639 13.673 13.140 798 H SER 12 H SER 12 -8.397 12.906 14.390 799 HA SER 12 HA SER 12 -8.022 12.853 17.257 800 HG SER 12 HG SER 12 -5.028 10.894 17.233 801 HB2 SER 12 2HB SER 12 -7.375 10.551 16.473 802 HB3 SER 12 1HB SER 12 -6.155 11.294 15.438 803 H GLY 13 H GLY 13 -5.622 13.666 17.642 804 HA2 GLY 13 2HA GLY 13 -5.481 16.178 16.251 805 HA3 GLY 13 1HA GLY 13 -4.405 15.628 17.526 806 H ARG 14 H ARG 14 -4.327 13.150 15.513 807 HA ARG 14 HA ARG 14 -2.872 12.322 13.989 808 HE ARG 14 HE ARG 14 -3.859 14.186 10.559 809 HB2 ARG 14 2HB ARG 14 -3.648 14.107 12.480 810 HB3 ARG 14 1HB ARG 14 -2.460 15.206 13.165 811 HG2 ARG 14 2HG ARG 14 -0.654 13.865 12.302 812 HG3 ARG 14 1HG ARG 14 -1.793 12.654 11.715 813 HD2 ARG 14 2HD ARG 14 -1.634 15.519 10.788 814 HD3 ARG 14 1HD ARG 14 -1.000 14.125 9.916 815 HH11 ARG 14 1HH1 ARG 14 -1.327 14.427 8.143 816 HH12 ARG 14 2HH1 ARG 14 -2.419 14.257 6.806 817 HH21 ARG 14 2HH2 ARG 14 -4.646 13.972 7.175 818 HH22 ARG 14 1HH2 ARG 14 -5.277 13.955 8.795 819 H GLU 15 H GLU 15 -1.163 11.428 14.864 820 HA GLU 15 HA GLU 15 0.428 12.903 16.754 821 HB2 GLU 15 2HB GLU 15 1.048 10.103 15.878 822 HB3 GLU 15 1HB GLU 15 1.274 10.844 17.455 823 HG2 GLU 15 2HG GLU 15 -1.294 9.897 16.209 824 HG3 GLU 15 1HG GLU 15 -0.493 9.269 17.644 825 H ASN 16 H ASN 16 2.771 12.951 16.699 826 HA ASN 16 HA ASN 16 3.645 13.723 14.040 827 HB2 ASN 16 2HB ASN 16 4.779 14.122 16.795 828 HB3 ASN 16 1HB ASN 16 5.736 14.461 15.359 829 HD21 ASN 16 2HD2 ASN 16 2.768 16.948 16.533 830 HD22 ASN 16 1HD2 ASN 16 3.000 15.406 17.273 831 H LEU 17 H LEU 17 4.487 11.380 16.532 832 HA LEU 17 HA LEU 17 6.449 10.223 14.664 833 HG LEU 17 HG LEU 17 7.435 8.013 16.639 834 HB2 LEU 17 2HB LEU 17 7.400 11.031 16.793 835 HB3 LEU 17 1HB LEU 17 6.324 9.961 17.670 836 HD11 LEU 17 1HD1 LEU 17 9.301 10.075 15.474 837 HD12 LEU 17 2HD1 LEU 17 8.173 9.064 14.568 838 HD13 LEU 17 3HD1 LEU 17 9.530 8.326 15.421 839 HD21 LEU 17 3HD2 LEU 17 9.318 9.924 18.014 840 HD22 LEU 17 1HD2 LEU 17 9.521 8.178 17.890 841 HD23 LEU 17 2HD2 LEU 17 8.175 8.847 18.814 842 H TYR 18 H TYR 18 5.393 8.677 13.559 843 HA TYR 18 HA TYR 18 3.670 6.833 15.000 844 HD1 TYR 18 2HD TYR 18 4.580 9.344 12.042 845 HD2 TYR 18 1HD TYR 18 4.223 5.270 10.871 846 HE1 TYR 18 2HE TYR 18 5.831 9.832 9.981 847 HE2 TYR 18 1HE TYR 18 5.469 5.747 8.810 848 HH TYR 18 HH TYR 18 5.902 7.765 7.355 849 HB2 TYR 18 2HB TYR 18 3.088 5.995 12.743 850 HB3 TYR 18 1HB TYR 18 2.737 7.698 12.951 851 H PHE 19 H PHE 19 3.914 4.493 14.461 852 HA PHE 19 HA PHE 19 5.085 2.587 14.728 853 HD1 PHE 19 1HD PHE 19 5.580 0.786 13.237 854 HD2 PHE 19 2HD PHE 19 6.439 4.343 11.076 855 HE1 PHE 19 1HE PHE 19 4.508 -0.174 11.242 856 HE2 PHE 19 2HE PHE 19 5.374 3.393 9.076 857 HZ PHE 19 HZ PHE 19 4.403 1.134 9.157 858 HB2 PHE 19 2HB PHE 19 7.179 4.145 13.230 859 HB3 PHE 19 1HB PHE 19 7.496 2.522 13.834 860 H GLN 20 H GLN 20 7.149 1.679 15.801 861 HA GLN 20 HA GLN 20 8.434 1.452 17.651 862 HB2 GLN 20 2HB GLN 20 9.475 3.614 17.061 863 HB3 GLN 20 1HB GLN 20 8.219 4.457 17.957 864 HG2 GLN 20 2HG GLN 20 8.965 3.412 20.014 865 HG3 GLN 20 1HG GLN 20 10.194 2.512 19.124 866 HE21 GLN 20 2HE2 GLN 20 10.755 6.402 20.122 867 HE22 GLN 20 1HE2 GLN 20 9.229 5.606 20.362 868 H GLY 21 H GLY 21 5.847 3.827 18.156 869 HA2 GLY 21 2HA GLY 21 4.905 2.136 20.390 870 HA3 GLY 21 1HA GLY 21 4.785 3.892 20.414 871 H MET 22 H MET 22 4.238 1.872 17.618 872 HA MET 22 HA MET 22 1.645 3.090 17.214 873 HB2 MET 22 2HB MET 22 3.531 2.512 15.473 874 HB3 MET 22 1HB MET 22 2.773 0.926 15.477 875 HG2 MET 22 2HG MET 22 0.749 1.781 14.645 876 HG3 MET 22 1HG MET 22 1.227 3.446 14.971 877 HE1 MET 22 3HE MET 22 0.666 4.340 12.585 878 HE2 MET 22 1HE MET 22 0.006 2.757 12.185 879 HE3 MET 22 2HE MET 22 1.146 3.538 11.091 880 H THR 23 H THR 23 -0.320 2.087 17.443 881 HA THR 23 HA THR 23 -0.200 -0.415 18.967 882 HB THR 23 HB THR 23 -2.450 0.302 19.816 883 HG1 THR 23 1HG THR 23 -3.249 2.247 19.251 884 HG21 THR 23 3HG2 THR 23 -0.373 0.719 21.078 885 HG22 THR 23 1HG2 THR 23 -1.564 1.994 21.332 886 HG23 THR 23 2HG2 THR 23 -0.196 2.267 20.251 887 H ASP 24 H ASP 24 -2.601 -1.357 19.010 888 HA ASP 24 HA ASP 24 -2.920 -2.929 16.766 889 HB2 ASP 24 2HB ASP 24 -3.840 -3.589 18.874 890 HB3 ASP 24 1HB ASP 24 -4.863 -2.161 18.943 891 H THR 25 H THR 25 -4.523 0.124 17.528 892 HA THR 25 HA THR 25 -6.640 -0.005 15.722 893 HB THR 25 HB THR 25 -5.184 2.501 16.583 894 HG1 THR 25 1HG THR 25 -7.234 0.994 17.894 895 HG21 THR 25 3HG2 THR 25 -6.899 2.845 14.843 896 HG22 THR 25 1HG2 THR 25 -7.375 3.563 16.383 897 HG23 THR 25 2HG2 THR 25 -8.087 2.035 15.866 898 H ALA 26 H ALA 26 -3.288 0.522 15.092 899 HA ALA 26 HA ALA 26 -3.540 1.971 12.658 900 HB1 ALA 26 3HB ALA 26 -1.203 1.353 12.286 901 HB2 ALA 26 1HB ALA 26 -1.290 0.212 13.630 902 HB3 ALA 26 2HB ALA 26 -1.465 1.942 13.927 903 H ALA 27 H ALA 27 -3.786 -1.394 13.498 904 HA ALA 27 HA ALA 27 -3.092 -2.556 11.036 905 HB1 ALA 27 3HB ALA 27 -5.005 -3.616 13.113 906 HB2 ALA 27 1HB ALA 27 -3.253 -3.808 13.137 907 HB3 ALA 27 2HB ALA 27 -4.202 -4.554 11.852 908 H GLU 28 H GLU 28 -6.083 -1.141 12.169 909 HA GLU 28 HA GLU 28 -7.785 -2.351 10.266 910 HB2 GLU 28 2HB GLU 28 -8.649 -1.368 12.327 911 HB3 GLU 28 1HB GLU 28 -8.146 0.232 11.795 912 HG2 GLU 28 2HG GLU 28 -9.726 0.190 9.992 913 HG3 GLU 28 1HG GLU 28 -10.141 -1.486 10.340 914 H ASP 29 H ASP 29 -6.172 0.820 10.310 915 HA ASP 29 HA ASP 29 -7.292 1.567 7.786 916 HB2 ASP 29 2HB ASP 29 -5.325 2.803 9.659 917 HB3 ASP 29 1HB ASP 29 -5.408 3.394 8.000 918 H VAL 30 H VAL 30 -4.345 -0.007 8.807 919 HA VAL 30 HA VAL 30 -3.056 0.135 6.275 920 HB VAL 30 HB VAL 30 -2.721 -1.884 8.504 921 HG11 VAL 30 1HG1 VAL 30 -0.607 -2.480 7.400 922 HG12 VAL 30 2HG1 VAL 30 -1.011 -1.412 6.058 923 HG13 VAL 30 3HG1 VAL 30 -1.997 -2.840 6.376 924 HG21 VAL 30 3HG2 VAL 30 -0.672 -0.597 8.984 925 HG22 VAL 30 1HG2 VAL 30 -2.128 0.385 9.150 926 HG23 VAL 30 2HG2 VAL 30 -1.111 0.547 7.718 927 H ARG 31 H ARG 31 -5.295 -2.171 7.776 928 HA ARG 31 HA ARG 31 -5.462 -3.901 5.549 929 HE ARG 31 HE ARG 31 -5.849 -7.555 8.487 930 HB2 ARG 31 2HB ARG 31 -7.292 -3.313 7.852 931 HB3 ARG 31 1HB ARG 31 -7.845 -4.327 6.526 932 HG2 ARG 31 2HG ARG 31 -5.910 -5.816 6.914 933 HG3 ARG 31 1HG ARG 31 -5.474 -4.830 8.311 934 HD2 ARG 31 2HD ARG 31 -7.443 -5.435 9.471 935 HD3 ARG 31 1HD ARG 31 -8.174 -6.120 8.021 936 HH11 ARG 31 1HH1 ARG 31 -8.861 -6.951 10.170 937 HH12 ARG 31 2HH1 ARG 31 -8.889 -8.513 10.942 938 HH21 ARG 31 2HH2 ARG 31 -7.186 -10.029 10.540 939 HH22 ARG 31 1HH2 ARG 31 -5.879 -9.596 9.478 940 H LYS 32 H LYS 32 -7.117 -0.922 6.401 941 HA LYS 32 HA LYS 32 -9.099 -0.866 4.463 942 HB2 LYS 32 2HB LYS 32 -8.978 0.746 6.282 943 HB3 LYS 32 1HB LYS 32 -7.495 1.417 5.620 944 HG2 LYS 32 2HG LYS 32 -8.772 2.097 3.599 945 HG3 LYS 32 1HG LYS 32 -10.245 1.553 4.407 946 HD2 LYS 32 2HD LYS 32 -8.359 3.679 5.426 947 HD3 LYS 32 1HD LYS 32 -9.914 3.974 4.646 948 HE2 LYS 32 2HE LYS 32 -11.079 2.872 6.448 949 HE3 LYS 32 1HE LYS 32 -9.553 2.400 7.194 950 HZ1 LYS 32 3HZ LYS 32 -10.546 4.326 8.276 951 HZ2 LYS 32 1HZ LYS 32 -10.481 5.200 6.820 952 HZ3 LYS 32 2HZ LYS 32 -9.042 4.711 7.594 953 H ILE 33 H ILE 33 -5.825 0.560 4.245 954 HA ILE 33 HA ILE 33 -6.159 1.399 1.563 955 HB ILE 33 HB ILE 33 -3.680 1.669 1.518 956 HG12 ILE 33 2HG1 ILE 33 -3.818 0.672 4.371 957 HG13 ILE 33 1HG1 ILE 33 -3.125 -0.216 3.019 958 HG21 ILE 33 1HG2 ILE 33 -5.101 3.475 2.273 959 HG22 ILE 33 2HG2 ILE 33 -3.598 3.458 3.196 960 HG23 ILE 33 3HG2 ILE 33 -5.087 2.836 3.916 961 HD11 ILE 33 3HD1 ILE 33 -1.391 0.810 4.350 962 HD12 ILE 33 1HD1 ILE 33 -2.123 2.398 4.119 963 HD13 ILE 33 2HD1 ILE 33 -1.440 1.534 2.742 964 H ALA 34 H ALA 34 -4.850 -1.545 2.987 965 HA ALA 34 HA ALA 34 -3.748 -2.494 0.529 966 HB1 ALA 34 3HB ALA 34 -2.824 -3.133 2.698 967 HB2 ALA 34 1HB ALA 34 -3.280 -4.541 1.736 968 HB3 ALA 34 2HB ALA 34 -4.308 -4.011 3.068 969 H THR 35 H THR 35 -6.775 -3.111 2.287 970 HA THR 35 HA THR 35 -7.599 -5.327 0.767 971 HB THR 35 HB THR 35 -9.328 -3.300 2.207 972 HG1 THR 35 1HG THR 35 -7.974 -4.334 3.646 973 HG21 THR 35 3HG2 THR 35 -10.646 -4.576 0.605 974 HG22 THR 35 1HG2 THR 35 -11.017 -5.097 2.249 975 HG23 THR 35 2HG2 THR 35 -9.972 -6.082 1.224 976 H ALA 36 H ALA 36 -7.937 -1.875 0.196 977 HA ALA 36 HA ALA 36 -9.814 -2.108 -1.921 978 HB1 ALA 36 3HB ALA 36 -9.470 -0.017 -0.690 979 HB2 ALA 36 1HB ALA 36 -9.279 0.203 -2.429 980 HB3 ALA 36 2HB ALA 36 -7.856 0.124 -1.388 981 H LEU 37 H LEU 37 -6.260 -1.867 -1.864 982 HA LEU 37 HA LEU 37 -6.059 -1.961 -4.705 983 HG LEU 37 HG LEU 37 -4.359 -2.637 -1.475 984 HB2 LEU 37 2HB LEU 37 -3.657 -2.178 -4.341 985 HB3 LEU 37 1HB LEU 37 -4.340 -0.854 -3.429 986 HD11 LEU 37 1HD1 LEU 37 -2.132 -3.634 -3.249 987 HD12 LEU 37 2HD1 LEU 37 -3.605 -4.514 -2.840 988 HD13 LEU 37 3HD1 LEU 37 -2.433 -4.128 -1.581 989 HD21 LEU 37 3HD2 LEU 37 -1.897 -1.195 -2.445 990 HD22 LEU 37 1HD2 LEU 37 -2.133 -1.829 -0.816 991 HD23 LEU 37 2HD2 LEU 37 -3.168 -0.534 -1.416 992 H LEU 38 H LEU 38 -6.119 -4.296 -2.152 993 HA LEU 38 HA LEU 38 -5.235 -6.527 -3.685 994 HG LEU 38 HG LEU 38 -5.727 -8.759 -2.477 995 HB2 LEU 38 2HB LEU 38 -5.127 -6.486 -1.246 996 HB3 LEU 38 1HB LEU 38 -6.865 -6.337 -1.146 997 HD11 LEU 38 1HD1 LEU 38 -4.416 -8.557 -0.433 998 HD12 LEU 38 2HD1 LEU 38 -5.580 -9.877 -0.299 999 HD13 LEU 38 3HD1 LEU 38 -5.892 -8.340 0.507 1000 HD21 LEU 38 3HD2 LEU 38 -8.120 -8.258 -0.704 1001 HD22 LEU 38 1HD2 LEU 38 -7.704 -9.797 -1.461 1002 HD23 LEU 38 2HD2 LEU 38 -8.143 -8.413 -2.460 1003 H LYS 39 H LYS 39 -8.357 -5.067 -2.965 1004 HA LYS 39 HA LYS 39 -9.939 -7.119 -4.104 1005 HB2 LYS 39 2HB LYS 39 -10.579 -5.162 -2.499 1006 HB3 LYS 39 1HB LYS 39 -10.815 -4.254 -3.984 1007 HG2 LYS 39 2HG LYS 39 -12.931 -5.060 -3.432 1008 HG3 LYS 39 1HG LYS 39 -12.362 -6.145 -4.700 1009 HD2 LYS 39 2HD LYS 39 -12.072 -6.752 -1.761 1010 HD3 LYS 39 1HD LYS 39 -13.471 -7.248 -2.709 1011 HE2 LYS 39 2HE LYS 39 -12.084 -8.583 -4.149 1012 HE3 LYS 39 1HE LYS 39 -10.625 -7.986 -3.365 1013 HZ1 LYS 39 3HZ LYS 39 -11.338 -9.072 -1.315 1014 HZ2 LYS 39 1HZ LYS 39 -11.198 -10.185 -2.585 1015 HZ3 LYS 39 2HZ LYS 39 -12.727 -9.658 -2.092 1016 H THR 40 H THR 40 -9.148 -3.858 -5.326 1017 HA THR 40 HA THR 40 -8.540 -4.772 -7.905 1018 HB THR 40 HB THR 40 -10.811 -5.245 -8.262 1019 HG1 THR 40 1HG THR 40 -10.137 -2.737 -9.420 1020 HG21 THR 40 3HG2 THR 40 -11.825 -3.985 -6.439 1021 HG22 THR 40 1HG2 THR 40 -12.634 -3.618 -7.963 1022 HG23 THR 40 2HG2 THR 40 -11.481 -2.471 -7.278 1023 H ALA 41 H ALA 41 -6.838 -3.391 -7.227 1024 HA ALA 41 HA ALA 41 -7.342 -0.535 -7.681 1025 HB1 ALA 41 3HB ALA 41 -4.966 -0.225 -7.110 1026 HB2 ALA 41 1HB ALA 41 -4.797 -1.970 -6.919 1027 HB3 ALA 41 2HB ALA 41 -5.847 -1.061 -5.831 1028 H ILE 42 H ILE 42 -6.582 -3.341 -9.274 1029 HA ILE 42 HA ILE 42 -5.213 -2.023 -11.496 1030 HB ILE 42 HB ILE 42 -5.868 -4.961 -11.357 1031 HG12 ILE 42 2HG1 ILE 42 -4.741 -4.434 -9.241 1032 HG13 ILE 42 1HG1 ILE 42 -3.688 -5.377 -10.291 1033 HG21 ILE 42 1HG2 ILE 42 -5.051 -4.086 -13.479 1034 HG22 ILE 42 2HG2 ILE 42 -3.862 -5.170 -12.757 1035 HG23 ILE 42 3HG2 ILE 42 -3.630 -3.423 -12.673 1036 HD11 ILE 42 3HD1 ILE 42 -2.484 -3.353 -10.901 1037 HD12 ILE 42 1HD1 ILE 42 -2.474 -3.606 -9.155 1038 HD13 ILE 42 2HD1 ILE 42 -3.549 -2.401 -9.866 1039 H GLU 43 H GLU 43 -6.707 -4.576 -12.853 1040 HA GLU 43 HA GLU 43 -9.427 -3.789 -12.891 1041 HB2 GLU 43 2HB GLU 43 -8.493 -1.960 -14.268 1042 HB3 GLU 43 1HB GLU 43 -7.843 -3.151 -15.386 1043 HG2 GLU 43 2HG GLU 43 -9.998 -3.823 -16.073 1044 HG3 GLU 43 1HG GLU 43 -10.769 -2.950 -14.751 1045 H ILE 44 H ILE 44 -10.720 -5.278 -13.918 1046 HA ILE 44 HA ILE 44 -9.513 -7.826 -14.461 1047 HB ILE 44 HB ILE 44 -11.587 -7.845 -13.259 1048 HG12 ILE 44 2HG1 ILE 44 -12.056 -8.808 -16.089 1049 HG13 ILE 44 1HG1 ILE 44 -11.222 -9.704 -14.822 1050 HG21 ILE 44 1HG2 ILE 44 -13.683 -7.000 -14.182 1051 HG22 ILE 44 2HG2 ILE 44 -12.823 -6.415 -15.607 1052 HG23 ILE 44 3HG2 ILE 44 -12.486 -5.713 -14.024 1053 HD11 ILE 44 3HD1 ILE 44 -14.116 -8.885 -14.807 1054 HD12 ILE 44 1HD1 ILE 44 -13.288 -9.766 -13.523 1055 HD13 ILE 44 2HD1 ILE 44 -13.484 -10.502 -15.113 1056 H VAL 45 H VAL 45 -8.947 -8.596 -16.369 1057 HA VAL 45 HA VAL 45 -9.858 -7.180 -18.778 1058 HB VAL 45 HB VAL 45 -7.903 -8.411 -19.886 1059 HG11 VAL 45 1HG1 VAL 45 -6.288 -6.719 -19.124 1060 HG12 VAL 45 2HG1 VAL 45 -7.351 -6.329 -17.773 1061 HG13 VAL 45 3HG1 VAL 45 -7.880 -6.022 -19.427 1062 HG21 VAL 45 3HG2 VAL 45 -7.095 -8.745 -16.996 1063 HG22 VAL 45 1HG2 VAL 45 -6.060 -9.041 -18.393 1064 HG23 VAL 45 2HG2 VAL 45 -7.483 -10.047 -18.122 1065 H SER 46 H SER 46 -11.364 -8.125 -19.899 1066 HA SER 46 HA SER 46 -11.994 -10.921 -19.393 1067 HG SER 46 HG SER 46 -14.815 -9.176 -18.843 1068 HB2 SER 46 2HB SER 46 -13.532 -8.873 -21.005 1069 HB3 SER 46 1HB SER 46 -14.129 -10.430 -20.427 1070 H GLU 47 H GLU 47 -12.128 -12.491 -20.973 1071 HA GLU 47 HA GLU 47 -10.470 -12.070 -23.308 1072 HB2 GLU 47 2HB GLU 47 -12.018 -14.498 -22.372 1073 HB3 GLU 47 1HB GLU 47 -10.925 -14.472 -23.746 1074 HG2 GLU 47 2HG GLU 47 -9.059 -13.951 -22.274 1075 HG3 GLU 47 1HG GLU 47 -10.149 -13.945 -20.887 1076 H GLU 48 H GLU 48 -11.173 -12.317 -25.472 1077 HA GLU 48 HA GLU 48 -13.769 -11.318 -26.044 1078 HB2 GLU 48 2HB GLU 48 -11.771 -10.998 -27.507 1079 HB3 GLU 48 1HB GLU 48 -11.845 -12.704 -27.923 1080 HG2 GLU 48 2HG GLU 48 -13.994 -12.402 -28.968 1081 HG3 GLU 48 1HG GLU 48 -14.042 -10.716 -28.451 1082 H ASP 49 H ASP 49 -12.320 -14.489 -25.920 1083 HA ASP 49 HA ASP 49 -15.004 -15.643 -25.806 1084 HB2 ASP 49 2HB ASP 49 -14.326 -16.040 -28.105 1085 HB3 ASP 49 1HB ASP 49 -12.777 -16.679 -27.568 1086 H GLY 50 H GLY 50 -15.109 -16.598 -23.904 1087 HA2 GLY 50 2HA GLY 50 -13.963 -18.699 -22.858 1088 HA3 GLY 50 1HA GLY 50 -12.633 -17.567 -22.661 1089 H GLY 51 H GLY 51 -12.772 -15.927 -21.132 1090 HA2 GLY 51 2HA GLY 51 -15.200 -15.641 -19.567 1091 HA3 GLY 51 1HA GLY 51 -13.849 -16.369 -18.714 1092 H ALA 52 H ALA 52 -13.321 -14.823 -17.303 1093 HA ALA 52 HA ALA 52 -12.249 -12.320 -18.337 1094 HB1 ALA 52 3HB ALA 52 -14.590 -11.793 -17.853 1095 HB2 ALA 52 1HB ALA 52 -13.508 -10.962 -16.737 1096 HB3 ALA 52 2HB ALA 52 -14.389 -12.393 -16.207 1097 H HIS 53 H HIS 53 -10.511 -11.598 -17.142 1098 HA HIS 53 HA HIS 53 -9.884 -13.174 -14.723 1099 HD1 HIS 53 1HD HIS 53 -8.562 -15.766 -15.336 1100 HD2 HIS 53 2HD HIS 53 -8.850 -13.841 -19.004 1101 HE1 HIS 53 1HE HIS 53 -9.209 -17.543 -16.977 1102 HE2 HIS 53 2HE HIS 53 -9.518 -16.335 -19.175 1103 HB2 HIS 53 2HB HIS 53 -7.907 -12.386 -16.877 1104 HB3 HIS 53 1HB HIS 53 -7.552 -13.314 -15.423 1105 H ASN 54 H ASN 54 -9.596 -11.870 -13.002 1106 HA ASN 54 HA ASN 54 -9.020 -9.056 -13.391 1107 HB2 ASN 54 2HB ASN 54 -10.572 -9.833 -11.597 1108 HB3 ASN 54 1HB ASN 54 -9.209 -10.613 -10.801 1109 HD21 ASN 54 2HD2 ASN 54 -9.017 -7.685 -8.915 1110 HD22 ASN 54 1HD2 ASN 54 -9.454 -9.354 -8.962 1111 H GLN 55 H GLN 55 -7.023 -8.332 -13.669 1112 HA GLN 55 HA GLN 55 -4.829 -10.192 -13.105 1113 HB2 GLN 55 2HB GLN 55 -5.196 -9.423 -15.439 1114 HB3 GLN 55 1HB GLN 55 -4.888 -7.773 -14.917 1115 HG2 GLN 55 2HG GLN 55 -2.618 -8.519 -14.184 1116 HG3 GLN 55 1HG GLN 55 -2.954 -10.075 -14.944 1117 HE21 GLN 55 2HE2 GLN 55 -3.050 -7.004 -17.616 1118 HE22 GLN 55 1HE2 GLN 55 -4.073 -7.023 -16.219 1119 H CYS 56 H CYS 56 -2.946 -9.558 -12.076 1120 HA CYS 56 HA CYS 56 -3.004 -6.941 -10.720 1121 HG CYS 56 HG CYS 56 -4.510 -8.734 -9.288 1122 HB2 CYS 56 2HB CYS 56 -1.386 -9.409 -10.026 1123 HB3 CYS 56 1HB CYS 56 -1.435 -7.907 -9.109 1124 H LYS 57 H LYS 57 -1.684 -5.438 -11.567 1125 HA LYS 57 HA LYS 57 0.001 -6.134 -13.771 1126 HB2 LYS 57 2HB LYS 57 0.327 -3.758 -14.065 1127 HB3 LYS 57 1HB LYS 57 -1.368 -4.080 -13.732 1128 HG2 LYS 57 2HG LYS 57 -1.038 -3.377 -11.404 1129 HG3 LYS 57 1HG LYS 57 0.655 -3.029 -11.757 1130 HD2 LYS 57 2HD LYS 57 -0.565 -0.964 -11.843 1131 HD3 LYS 57 1HD LYS 57 -0.116 -1.404 -13.492 1132 HE2 LYS 57 2HE LYS 57 -2.358 -2.320 -13.849 1133 HE3 LYS 57 1HE LYS 57 -2.804 -1.869 -12.206 1134 HZ1 LYS 57 3HZ LYS 57 -2.008 0.023 -14.358 1135 HZ2 LYS 57 1HZ LYS 57 -2.485 0.452 -12.786 1136 HZ3 LYS 57 2HZ LYS 57 -3.591 -0.273 -13.844 1137 H LEU 58 H LEU 58 0.697 -6.568 -10.669 1138 HA LEU 58 HA LEU 58 3.477 -5.647 -10.946 1139 HG LEU 58 HG LEU 58 3.370 -3.805 -9.415 1140 HB2 LEU 58 2HB LEU 58 1.821 -6.214 -8.502 1141 HB3 LEU 58 1HB LEU 58 3.570 -6.172 -8.427 1142 HD11 LEU 58 1HD1 LEU 58 1.045 -3.916 -10.096 1143 HD12 LEU 58 2HD1 LEU 58 1.281 -2.647 -8.895 1144 HD13 LEU 58 3HD1 LEU 58 0.550 -4.182 -8.425 1145 HD21 LEU 58 3HD2 LEU 58 2.389 -4.400 -6.627 1146 HD22 LEU 58 1HD2 LEU 58 3.021 -2.852 -7.185 1147 HD23 LEU 58 2HD2 LEU 58 4.071 -4.267 -7.137 1148 H CYS 59 H CYS 59 1.522 -8.430 -9.924 1149 HA CYS 59 HA CYS 59 3.916 -10.034 -9.578 1150 HG CYS 59 HG CYS 59 3.366 -9.606 -6.963 1151 HB2 CYS 59 2HB CYS 59 1.010 -10.743 -9.148 1152 HB3 CYS 59 1HB CYS 59 2.391 -11.728 -8.677 1153 H GLY 60 H GLY 60 1.865 -9.322 -12.130 1154 HA2 GLY 60 2HA GLY 60 1.496 -10.300 -14.182 1155 HA3 GLY 60 1HA GLY 60 2.908 -11.294 -13.850 1156 H ALA 61 H ALA 61 -0.197 -11.093 -12.175 1157 HA ALA 61 HA ALA 61 -0.798 -13.856 -12.949 1158 HB1 ALA 61 3HB ALA 61 0.341 -13.983 -10.784 1159 HB2 ALA 61 1HB ALA 61 -1.354 -14.451 -10.644 1160 HB3 ALA 61 2HB ALA 61 -0.831 -12.856 -10.100 1161 H SER 62 H SER 62 -3.076 -14.441 -12.411 1162 HA SER 62 HA SER 62 -4.831 -12.102 -12.174 1163 HG SER 62 HG SER 62 -3.699 -12.003 -14.290 1164 HB2 SER 62 2HB SER 62 -5.180 -14.260 -14.269 1165 HB3 SER 62 1HB SER 62 -6.200 -12.842 -14.036 1166 H VAL 63 H VAL 63 -6.727 -12.458 -11.113 1167 HA VAL 63 HA VAL 63 -7.210 -15.196 -10.141 1168 HB VAL 63 HB VAL 63 -6.842 -13.616 -8.321 1169 HG11 VAL 63 1HG1 VAL 63 -8.330 -11.720 -7.921 1170 HG12 VAL 63 2HG1 VAL 63 -9.160 -12.048 -9.441 1171 HG13 VAL 63 3HG1 VAL 63 -7.468 -11.550 -9.451 1172 HG21 VAL 63 3HG2 VAL 63 -9.719 -14.467 -8.587 1173 HG22 VAL 63 1HG2 VAL 63 -8.983 -13.899 -7.090 1174 HG23 VAL 63 2HG2 VAL 63 -8.400 -15.379 -7.853 1175 HA PRO 64 HA PRO 64 -10.624 -15.392 -12.956 1176 HB2 PRO 64 1HB PRO 64 -11.489 -17.491 -12.652 1177 HB3 PRO 64 2HB PRO 64 -11.765 -17.237 -10.926 1178 HG2 PRO 64 2HG PRO 64 -9.903 -18.627 -10.840 1179 HG3 PRO 64 1HG PRO 64 -9.243 -17.985 -12.356 1180 HD2 PRO 64 2HD PRO 64 -9.159 -16.817 -9.605 1181 HD3 PRO 64 1HD PRO 64 -7.915 -16.810 -10.872 1182 H TRP 65 H TRP 65 -12.637 -14.567 -13.184 1183 HA TRP 65 HA TRP 65 -13.467 -12.592 -11.361 1184 HD1 TRP 65 HD TRP 65 -17.268 -12.970 -14.110 1185 HE1 TRP 65 1HE TRP 65 -18.703 -10.995 -13.300 1186 HE3 TRP 65 3HE TRP 65 -13.763 -10.541 -11.284 1187 HZ2 TRP 65 2HZ TRP 65 -18.380 -8.711 -11.672 1188 HZ3 TRP 65 3HZ TRP 65 -14.412 -8.469 -10.132 1189 HH2 TRP 65 HH TRP 65 -16.673 -7.574 -10.322 1190 HB2 TRP 65 2HB TRP 65 -13.822 -12.428 -13.775 1191 HB3 TRP 65 1HB TRP 65 -14.908 -13.808 -13.724 1192 H LEU 66 H LEU 66 -15.015 -12.529 -9.854 1193 HA LEU 66 HA LEU 66 -16.603 -13.121 -8.375 1194 HG LEU 66 HG LEU 66 -17.813 -12.807 -11.170 1195 HB2 LEU 66 2HB LEU 66 -17.332 -15.114 -10.512 1196 HB3 LEU 66 1HB LEU 66 -18.254 -14.900 -9.036 1197 HD11 LEU 66 1HD1 LEU 66 -20.296 -14.303 -10.345 1198 HD12 LEU 66 2HD1 LEU 66 -19.366 -14.585 -11.816 1199 HD13 LEU 66 3HD1 LEU 66 -20.196 -13.045 -11.579 1200 HD21 LEU 66 3HD2 LEU 66 -19.363 -11.436 -9.872 1201 HD22 LEU 66 1HD2 LEU 66 -17.915 -11.811 -8.939 1202 HD23 LEU 66 2HD2 LEU 66 -19.419 -12.675 -8.618 1203 H GLN 67 H GLN 67 -13.910 -14.560 -8.547 1204 HA GLN 67 HA GLN 67 -14.472 -16.954 -7.018 1205 HB2 GLN 67 2HB GLN 67 -11.911 -15.506 -7.698 1206 HB3 GLN 67 1HB GLN 67 -11.954 -16.912 -6.643 1207 HG2 GLN 67 2HG GLN 67 -12.972 -16.889 -9.471 1208 HG3 GLN 67 1HG GLN 67 -11.353 -17.400 -8.998 1209 HE21 GLN 67 2HE2 GLN 67 -12.996 -20.136 -7.011 1210 HE22 GLN 67 1HE2 GLN 67 -12.162 -18.686 -6.557 1211 H THR 68 H THR 68 -12.462 -14.147 -6.262 1212 HA THR 68 HA THR 68 -13.858 -13.316 -3.993 1213 HB THR 68 HB THR 68 -13.155 -15.400 -2.941 1214 HG1 THR 68 1HG THR 68 -12.141 -14.477 -1.131 1215 HG21 THR 68 3HG2 THR 68 -11.177 -15.886 -4.309 1216 HG22 THR 68 1HG2 THR 68 -10.791 -15.940 -2.589 1217 HG23 THR 68 2HG2 THR 68 -10.322 -14.540 -3.555 1218 H GLY 69 H GLY 69 -10.800 -13.584 -5.704 1219 HA2 GLY 69 2HA GLY 69 -9.251 -11.968 -6.252 1220 HA3 GLY 69 1HA GLY 69 -10.390 -10.765 -5.655 1221 H ASP 70 H ASP 70 -7.905 -13.058 -4.706 1222 HA ASP 70 HA ASP 70 -6.916 -11.354 -2.645 1223 HB2 ASP 70 2HB ASP 70 -8.790 -12.207 -1.376 1224 HB3 ASP 70 1HB ASP 70 -8.414 -13.860 -1.845 1225 H GLU 71 H GLU 71 -7.135 -14.733 -3.675 1226 HA GLU 71 HA GLU 71 -4.555 -15.489 -2.812 1227 HB2 GLU 71 2HB GLU 71 -6.183 -16.793 -4.993 1228 HB3 GLU 71 1HB GLU 71 -4.935 -17.536 -4.004 1229 HG2 GLU 71 2HG GLU 71 -6.325 -17.392 -2.052 1230 HG3 GLU 71 1HG GLU 71 -7.549 -16.492 -2.951 1231 H ILE 72 H ILE 72 -3.092 -13.963 -3.640 1232 HA ILE 72 HA ILE 72 -2.360 -14.486 -6.442 1233 HB ILE 72 HB ILE 72 -2.263 -11.757 -5.127 1234 HG12 ILE 72 2HG1 ILE 72 -4.528 -12.453 -5.882 1235 HG13 ILE 72 1HG1 ILE 72 -3.907 -11.074 -6.777 1236 HG21 ILE 72 1HG2 ILE 72 -1.453 -10.964 -7.318 1237 HG22 ILE 72 2HG2 ILE 72 -1.376 -12.636 -7.875 1238 HG23 ILE 72 3HG2 ILE 72 -0.337 -12.098 -6.555 1239 HD11 ILE 72 3HD1 ILE 72 -5.043 -12.653 -8.237 1240 HD12 ILE 72 1HD1 ILE 72 -3.927 -13.924 -7.739 1241 HD13 ILE 72 2HD1 ILE 72 -3.330 -12.532 -8.642 1242 H LYS 73 H LYS 73 -0.779 -15.885 -5.860 1243 HA LYS 73 HA LYS 73 1.503 -14.724 -4.415 1244 HB2 LYS 73 2HB LYS 73 0.266 -17.443 -4.037 1245 HB3 LYS 73 1HB LYS 73 1.912 -17.082 -3.533 1246 HG2 LYS 73 2HG LYS 73 -0.426 -15.446 -2.614 1247 HG3 LYS 73 1HG LYS 73 0.086 -16.913 -1.777 1248 HD2 LYS 73 2HD LYS 73 2.005 -14.684 -2.381 1249 HD3 LYS 73 1HD LYS 73 1.003 -14.676 -0.933 1250 HE2 LYS 73 2HE LYS 73 1.939 -17.073 -0.584 1251 HE3 LYS 73 1HE LYS 73 3.188 -16.565 -1.717 1252 HZ1 LYS 73 3HZ LYS 73 3.791 -14.767 -0.238 1253 HZ2 LYS 73 1HZ LYS 73 3.820 -16.237 0.610 1254 HZ3 LYS 73 2HZ LYS 73 2.524 -15.170 0.818 1255 H HIS 74 H HIS 74 2.426 -14.266 -6.390 1256 HA HIS 74 HA HIS 74 3.442 -16.619 -7.851 1257 HD1 HIS 74 1HD HIS 74 3.814 -13.643 -11.335 1258 HD2 HIS 74 2HD HIS 74 3.515 -17.650 -10.239 1259 HE1 HIS 74 1HE HIS 74 4.841 -14.946 -13.229 1260 HE2 HIS 74 2HE HIS 74 4.528 -17.369 -12.606 1261 HB2 HIS 74 2HB HIS 74 1.740 -15.284 -9.135 1262 HB3 HIS 74 1HB HIS 74 2.841 -13.913 -9.069 1263 H ALA 75 H ALA 75 4.107 -13.856 -6.111 1264 HA ALA 75 HA ALA 75 6.906 -14.228 -6.104 1265 HB1 ALA 75 3HB ALA 75 7.557 -12.039 -7.050 1266 HB2 ALA 75 1HB ALA 75 5.884 -11.768 -7.538 1267 HB3 ALA 75 2HB ALA 75 6.811 -13.085 -8.258 1268 H ASP 76 H ASP 76 7.361 -13.792 -4.029 1269 HA ASP 76 HA ASP 76 5.387 -12.359 -2.467 1270 HB2 ASP 76 2HB ASP 76 6.682 -14.537 -1.821 1271 HB3 ASP 76 1HB ASP 76 7.961 -13.423 -1.345 1272 H ASP 77 H ASP 77 8.178 -11.604 -4.120 1273 HA ASP 77 HA ASP 77 9.279 -9.588 -2.438 1274 HB2 ASP 77 2HB ASP 77 9.546 -9.966 -5.432 1275 HB3 ASP 77 1HB ASP 77 10.557 -8.923 -4.440 1276 H CYS 78 H CYS 78 6.447 -9.723 -4.222 1277 HA CYS 78 HA CYS 78 6.399 -6.995 -5.128 1278 HG CYS 78 HG CYS 78 6.670 -8.878 -7.041 1279 HB2 CYS 78 2HB CYS 78 4.189 -9.049 -4.940 1280 HB3 CYS 78 1HB CYS 78 4.066 -7.493 -5.758 1281 HA PRO 79 HA PRO 79 5.239 -5.033 -1.345 1282 HB2 PRO 79 1HB PRO 79 4.995 -2.825 -1.924 1283 HB3 PRO 79 2HB PRO 79 3.785 -3.183 -3.161 1284 HG2 PRO 79 2HG PRO 79 5.625 -2.725 -4.506 1285 HG3 PRO 79 1HG PRO 79 6.769 -3.381 -3.319 1286 HD2 PRO 79 2HD PRO 79 5.015 -4.823 -5.263 1287 HD3 PRO 79 1HD PRO 79 6.677 -5.191 -4.756 1288 H VAL 80 H VAL 80 2.822 -5.735 -3.815 1289 HA VAL 80 HA VAL 80 0.570 -5.245 -2.163 1290 HB VAL 80 HB VAL 80 -0.702 -6.519 -3.880 1291 HG11 VAL 80 1HG1 VAL 80 -0.331 -4.127 -4.129 1292 HG12 VAL 80 2HG1 VAL 80 -0.325 -4.928 -5.702 1293 HG13 VAL 80 3HG1 VAL 80 1.196 -4.437 -4.953 1294 HG21 VAL 80 3HG2 VAL 80 0.439 -7.259 -5.916 1295 HG22 VAL 80 1HG2 VAL 80 1.013 -8.146 -4.502 1296 HG23 VAL 80 2HG2 VAL 80 1.996 -6.854 -5.193 1297 H VAL 81 H VAL 81 2.645 -8.001 -2.677 1298 HA VAL 81 HA VAL 81 0.884 -9.902 -1.448 1299 HB VAL 81 HB VAL 81 3.846 -10.120 -2.015 1300 HG11 VAL 81 1HG1 VAL 81 3.508 -12.528 -1.797 1301 HG12 VAL 81 2HG1 VAL 81 1.823 -12.255 -1.355 1302 HG13 VAL 81 3HG1 VAL 81 3.114 -11.689 -0.297 1303 HG21 VAL 81 3HG2 VAL 81 3.158 -11.407 -3.977 1304 HG22 VAL 81 1HG2 VAL 81 2.523 -9.763 -4.035 1305 HG23 VAL 81 2HG2 VAL 81 1.465 -11.102 -3.586 1306 H ILE 82 H ILE 82 3.822 -8.169 -0.423 1307 HA ILE 82 HA ILE 82 4.002 -9.309 2.133 1308 HB ILE 82 HB ILE 82 5.821 -8.022 1.066 1309 HG12 ILE 82 2HG1 ILE 82 6.582 -6.849 3.133 1310 HG13 ILE 82 1HG1 ILE 82 4.971 -7.078 3.803 1311 HG21 ILE 82 1HG2 ILE 82 4.582 -6.162 0.163 1312 HG22 ILE 82 2HG2 ILE 82 5.868 -5.586 1.224 1313 HG23 ILE 82 3HG2 ILE 82 4.199 -5.604 1.792 1314 HD11 ILE 82 3HD1 ILE 82 5.269 -9.498 3.667 1315 HD12 ILE 82 1HD1 ILE 82 6.507 -8.730 4.661 1316 HD13 ILE 82 2HD1 ILE 82 6.892 -9.253 3.022 1317 H ALA 83 H ALA 83 2.223 -6.542 0.939 1318 HA ALA 83 HA ALA 83 1.274 -5.433 3.294 1319 HB1 ALA 83 3HB ALA 83 0.887 -4.458 1.080 1320 HB2 ALA 83 1HB ALA 83 -0.612 -4.606 1.997 1321 HB3 ALA 83 2HB ALA 83 -0.249 -5.756 0.710 1322 H LYS 84 H LYS 84 0.007 -8.180 1.468 1323 HA LYS 84 HA LYS 84 -2.291 -8.660 3.008 1324 HB2 LYS 84 2HB LYS 84 -0.600 -10.700 1.555 1325 HB3 LYS 84 1HB LYS 84 -2.284 -10.884 2.024 1326 HG2 LYS 84 2HG LYS 84 -2.937 -9.140 0.479 1327 HG3 LYS 84 1HG LYS 84 -1.246 -8.862 0.052 1328 HD2 LYS 84 2HD LYS 84 -1.090 -11.154 -0.793 1329 HD3 LYS 84 1HD LYS 84 -2.784 -11.416 -0.384 1330 HE2 LYS 84 2HE LYS 84 -3.402 -9.589 -1.928 1331 HE3 LYS 84 1HE LYS 84 -1.703 -9.425 -2.374 1332 HZ1 LYS 84 3HZ LYS 84 -2.844 -10.769 -3.985 1333 HZ2 LYS 84 1HZ LYS 84 -3.412 -11.820 -2.784 1334 HZ3 LYS 84 2HZ LYS 84 -1.757 -11.747 -3.132 1335 H GLN 85 H GLN 85 1.025 -9.826 3.307 1336 HA GLN 85 HA GLN 85 0.515 -11.651 5.399 1337 HB2 GLN 85 2HB GLN 85 3.071 -10.338 4.480 1338 HB3 GLN 85 1HB GLN 85 2.986 -11.664 5.625 1339 HG2 GLN 85 2HG GLN 85 1.908 -13.053 3.909 1340 HG3 GLN 85 1HG GLN 85 2.076 -11.727 2.763 1341 HE21 GLN 85 2HE2 GLN 85 5.428 -12.313 2.060 1342 HE22 GLN 85 1HE2 GLN 85 4.086 -11.224 1.952 1343 H ILE 86 H ILE 86 1.182 -8.235 5.308 1344 HA ILE 86 HA ILE 86 1.863 -7.989 8.074 1345 HB ILE 86 HB ILE 86 0.892 -5.896 6.121 1346 HG12 ILE 86 2HG1 ILE 86 3.019 -6.929 5.468 1347 HG13 ILE 86 1HG1 ILE 86 3.247 -5.252 5.958 1348 HG21 ILE 86 1HG2 ILE 86 1.795 -4.249 7.692 1349 HG22 ILE 86 2HG2 ILE 86 2.157 -5.543 8.834 1350 HG23 ILE 86 3HG2 ILE 86 0.484 -5.185 8.409 1351 HD11 ILE 86 3HD1 ILE 86 4.070 -6.011 8.131 1352 HD12 ILE 86 1HD1 ILE 86 5.026 -6.661 6.800 1353 HD13 ILE 86 2HD1 ILE 86 3.853 -7.687 7.626 1354 H LEU 87 H LEU 87 -1.105 -7.718 6.191 1355 HA LEU 87 HA LEU 87 -2.620 -6.856 8.516 1356 HG LEU 87 HG LEU 87 -2.687 -7.949 4.960 1357 HB2 LEU 87 2HB LEU 87 -4.494 -6.645 6.971 1358 HB3 LEU 87 1HB LEU 87 -3.076 -5.804 6.388 1359 HD11 LEU 87 1HD1 LEU 87 -4.737 -9.082 4.295 1360 HD12 LEU 87 2HD1 LEU 87 -5.647 -8.159 5.492 1361 HD13 LEU 87 3HD1 LEU 87 -4.419 -9.313 6.016 1362 HD21 LEU 87 3HD2 LEU 87 -3.208 -5.738 4.070 1363 HD22 LEU 87 1HD2 LEU 87 -4.925 -6.027 4.345 1364 HD23 LEU 87 2HD2 LEU 87 -4.042 -7.004 3.171 1365 H SER 88 H SER 88 -1.539 -9.737 7.554 1366 HA SER 88 HA SER 88 -3.670 -11.457 7.284 1367 HG SER 88 HG SER 88 0.021 -11.467 8.257 1368 HB2 SER 88 2HB SER 88 -2.093 -13.212 8.082 1369 HB3 SER 88 1HB SER 88 -1.397 -12.157 6.855 1370 H SER 89 H SER 89 -1.913 -10.721 10.279 1371 HA SER 89 HA SER 89 -2.521 -10.692 12.458 1372 HG SER 89 HG SER 89 -5.806 -10.063 13.550 1373 HB2 SER 89 2HB SER 89 -4.647 -9.607 11.612 1374 HB3 SER 89 1HB SER 89 -5.377 -11.211 11.609 1375 H ARG 90 H ARG 90 -2.976 -12.170 14.172 1376 HA ARG 90 HA ARG 90 -2.731 -14.198 15.157 1377 HE ARG 90 HE ARG 90 -7.812 -14.138 15.620 1378 HB2 ARG 90 2HB ARG 90 -4.406 -15.177 12.837 1379 HB3 ARG 90 1HB ARG 90 -4.091 -16.064 14.322 1380 HG2 ARG 90 2HG ARG 90 -5.302 -14.423 15.606 1381 HG3 ARG 90 1HG ARG 90 -5.545 -13.437 14.161 1382 HD2 ARG 90 2HD ARG 90 -6.789 -15.303 13.137 1383 HD3 ARG 90 1HD ARG 90 -6.594 -16.222 14.627 1384 HH11 ARG 90 1HH1 ARG 90 -8.427 -15.666 12.525 1385 HH12 ARG 90 2HH1 ARG 90 -10.124 -15.293 12.542 1386 HH21 ARG 90 2HH2 ARG 90 -11.033 -14.104 14.295 1387 HH22 ARG 90 1HH2 ARG 90 -10.025 -13.622 15.630 1388 HA PRO 91 HA PRO 91 0.446 -15.555 12.069 1389 HB2 PRO 91 1HB PRO 91 1.495 -13.494 12.018 1390 HB3 PRO 91 2HB PRO 91 2.644 -14.374 13.033 1391 HG2 PRO 91 2HG PRO 91 1.910 -13.364 14.960 1392 HG3 PRO 91 1HG PRO 91 1.433 -12.082 13.833 1393 HD2 PRO 91 2HD PRO 91 -0.277 -13.572 15.504 1394 HD3 PRO 91 1HD PRO 91 -0.767 -12.512 14.170 1395 H LYS 92 H LYS 92 1.644 -17.371 12.319 1396 HA LYS 92 HA LYS 92 2.737 -19.128 13.251 1397 HB2 LYS 92 2HB LYS 92 3.169 -17.181 15.522 1398 HB3 LYS 92 1HB LYS 92 3.926 -18.764 15.426 1399 HG2 LYS 92 2HG LYS 92 5.054 -18.120 13.379 1400 HG3 LYS 92 1HG LYS 92 4.267 -16.542 13.428 1401 HD2 LYS 92 2HD LYS 92 5.419 -15.973 15.463 1402 HD3 LYS 92 1HD LYS 92 6.088 -17.603 15.585 1403 HE2 LYS 92 2HE LYS 92 6.670 -15.626 13.378 1404 HE3 LYS 92 1HE LYS 92 7.738 -16.003 14.732 1405 HZ1 LYS 92 3HZ LYS 92 8.388 -17.232 12.770 1406 HZ2 LYS 92 1HZ LYS 92 6.841 -17.914 12.638 1407 HZ3 LYS 92 2HZ LYS 92 7.834 -18.297 13.959 1408 H LEU 93 H LEU 93 -0.183 -18.551 13.793 1409 HA LEU 93 HA LEU 93 -0.536 -20.035 16.289 1410 HG LEU 93 HG LEU 93 -2.438 -19.254 17.593 1411 HB2 LEU 93 2HB LEU 93 -1.843 -17.880 15.568 1412 HB3 LEU 93 1HB LEU 93 -2.790 -18.997 14.607 1413 HD11 LEU 93 1HD1 LEU 93 -3.555 -17.166 17.126 1414 HD12 LEU 93 2HD1 LEU 93 -4.720 -18.338 17.744 1415 HD13 LEU 93 3HD1 LEU 93 -4.664 -17.973 16.019 1416 HD21 LEU 93 3HD2 LEU 93 -4.359 -20.737 17.446 1417 HD22 LEU 93 1HD2 LEU 93 -3.046 -21.322 16.424 1418 HD23 LEU 93 2HD2 LEU 93 -4.428 -20.500 15.700 1419 H HIS 94 H HIS 94 -2.196 -20.102 13.119 1420 HA HIS 94 HA HIS 94 -2.322 -23.019 13.335 1421 HD1 HIS 94 1HD HIS 94 -6.130 -20.673 12.175 1422 HD2 HIS 94 2HD HIS 94 -4.310 -23.681 14.406 1423 HE1 HIS 94 1HE HIS 94 -7.760 -21.243 14.001 1424 HE2 HIS 94 2HE HIS 94 -6.680 -23.118 15.293 1425 HB2 HIS 94 2HB HIS 94 -3.724 -21.046 11.540 1426 HB3 HIS 94 1HB HIS 94 -3.787 -22.782 11.254 1427 H ALA 95 H ALA 95 -1.512 -24.399 11.783 1428 HA ALA 95 HA ALA 95 0.798 -23.347 10.363 1429 HB1 ALA 95 3HB ALA 95 1.061 -25.363 11.724 1430 HB2 ALA 95 1HB ALA 95 1.398 -25.695 10.024 1431 HB3 ALA 95 2HB ALA 95 -0.139 -26.190 10.731 1432 H VAL 96 H VAL 96 0.963 -23.103 8.237 1433 HA VAL 96 HA VAL 96 -1.356 -23.814 6.594 1434 HB VAL 96 HB VAL 96 -0.327 -22.188 4.927 1435 HG11 VAL 96 1HG1 VAL 96 -2.258 -21.600 6.272 1436 HG12 VAL 96 2HG1 VAL 96 -1.180 -20.213 6.131 1437 HG13 VAL 96 3HG1 VAL 96 -1.213 -21.154 7.622 1438 HG21 VAL 96 3HG2 VAL 96 1.348 -21.461 7.337 1439 HG22 VAL 96 1HG2 VAL 96 1.209 -20.495 5.867 1440 HG23 VAL 96 2HG2 VAL 96 1.938 -22.100 5.802 Start of MODEL 16 1 HA MET 1 HA MET 1 7.148 22.087 -5.034 2 H1 MET 1 1H MET 1 5.154 20.789 -5.227 3 H2 MET 1 2H MET 1 5.981 19.380 -4.758 4 H3 MET 1 3H MET 1 6.369 20.143 -6.223 5 HB2 MET 1 2HB MET 1 5.732 21.849 -3.046 6 HB3 MET 1 1HB MET 1 6.586 20.380 -2.597 7 HG2 MET 1 2HG MET 1 8.643 21.669 -2.298 8 HG3 MET 1 1HG MET 1 7.781 23.141 -2.741 9 HE1 MET 1 3HE MET 1 5.229 23.494 0.217 10 HE2 MET 1 1HE MET 1 4.957 22.674 -1.320 11 HE3 MET 1 2HE MET 1 5.827 24.207 -1.282 12 H GLY 2 H GLY 2 9.276 22.137 -5.312 13 HA2 GLY 2 2HA GLY 2 10.725 19.594 -5.323 14 HA3 GLY 2 1HA GLY 2 11.283 21.115 -6.007 15 H SER 3 H SER 3 11.143 19.118 -3.211 16 HA SER 3 HA SER 3 13.192 20.805 -1.989 17 HG SER 3 HG SER 3 11.151 21.998 -1.797 18 HB2 SER 3 2HB SER 3 10.803 19.704 -0.481 19 HB3 SER 3 1HB SER 3 12.166 20.567 0.236 20 H SER 4 H SER 4 14.641 19.250 -2.734 21 HA SER 4 HA SER 4 14.302 16.478 -2.159 22 HG SER 4 HG SER 4 17.106 18.578 -2.303 23 HB2 SER 4 2HB SER 4 16.654 16.324 -3.035 24 HB3 SER 4 1HB SER 4 15.522 17.112 -4.133 25 H HIS 5 H HIS 5 14.424 15.735 -0.149 26 HA HIS 5 HA HIS 5 16.358 16.831 1.736 27 HD1 HIS 5 1HD HIS 5 13.241 15.611 4.706 28 HD2 HIS 5 2HD HIS 5 14.036 18.174 1.525 29 HE1 HIS 5 1HE HIS 5 11.849 17.665 5.120 30 HE2 HIS 5 2HE HIS 5 12.462 19.262 3.269 31 HB2 HIS 5 2HB HIS 5 14.253 14.671 1.969 32 HB3 HIS 5 1HB HIS 5 15.401 15.021 3.257 33 H HIS 6 H HIS 6 18.379 16.162 1.660 34 HA HIS 6 HA HIS 6 19.253 14.183 -0.125 35 HD1 HIS 6 1HD HIS 6 23.336 14.917 1.899 36 HD2 HIS 6 2HD HIS 6 21.161 13.892 -1.494 37 HE1 HIS 6 1HE HIS 6 24.996 13.874 0.317 38 HE2 HIS 6 2HE HIS 6 23.693 13.469 -1.805 39 HB2 HIS 6 2HB HIS 6 20.529 16.201 0.788 40 HB3 HIS 6 1HB HIS 6 20.860 15.215 2.208 41 H HIS 7 H HIS 7 18.886 12.105 0.073 42 HA HIS 7 HA HIS 7 18.366 10.922 2.660 43 HD1 HIS 7 1HD HIS 7 15.467 9.234 2.079 44 HD2 HIS 7 2HD HIS 7 19.033 7.184 1.484 45 HE1 HIS 7 1HE HIS 7 15.117 6.958 3.101 46 HE2 HIS 7 2HE HIS 7 17.217 5.670 2.526 47 HB2 HIS 7 2HB HIS 7 17.034 10.452 0.565 48 HB3 HIS 7 1HB HIS 7 18.429 9.570 -0.044 49 H HIS 8 H HIS 8 19.992 10.254 3.889 50 HA HIS 8 HA HIS 8 22.321 9.009 2.568 51 HD1 HIS 8 1HD HIS 8 25.048 11.727 5.118 52 HD2 HIS 8 2HD HIS 8 24.454 8.672 2.358 53 HE1 HIS 8 1HE HIS 8 27.342 11.070 4.329 54 HE2 HIS 8 2HE HIS 8 26.941 9.379 2.506 55 HB2 HIS 8 2HB HIS 8 22.507 11.417 3.651 56 HB3 HIS 8 1HB HIS 8 22.623 10.497 5.145 57 H HIS 9 H HIS 9 21.842 6.894 2.979 58 HA HIS 9 HA HIS 9 21.899 6.023 5.756 59 HD1 HIS 9 1HD HIS 9 19.531 3.969 7.230 60 HD2 HIS 9 2HD HIS 9 18.837 7.927 6.131 61 HE1 HIS 9 1HE HIS 9 18.404 5.040 9.206 62 HE2 HIS 9 2HE HIS 9 17.832 7.376 8.454 63 HB2 HIS 9 2HB HIS 9 19.467 6.003 4.130 64 HB3 HIS 9 1HB HIS 9 19.884 4.410 4.746 65 H HIS 10 H HIS 10 22.492 3.850 6.021 66 HA HIS 10 HA HIS 10 23.377 2.492 3.552 67 HD1 HIS 10 1HD HIS 10 25.957 4.437 6.370 68 HD2 HIS 10 2HD HIS 10 26.188 2.338 2.783 69 HE1 HIS 10 1HE HIS 10 27.800 5.535 5.053 70 HE2 HIS 10 2HE HIS 10 27.853 4.319 2.844 71 HB2 HIS 10 2HB HIS 10 24.497 2.435 6.354 72 HB3 HIS 10 1HB HIS 10 24.890 1.195 5.171 73 H SER 11 H SER 11 22.064 0.877 2.995 74 HA SER 11 HA SER 11 20.352 -0.358 4.987 75 HG SER 11 HG SER 11 19.864 1.207 2.340 76 HB2 SER 11 2HB SER 11 20.571 -0.890 2.012 77 HB3 SER 11 1HB SER 11 19.297 -1.475 3.082 78 H SER 12 H SER 12 21.465 -1.728 6.267 79 HA SER 12 HA SER 12 23.151 -3.736 4.932 80 HG SER 12 HG SER 12 23.437 -1.291 7.702 81 HB2 SER 12 2HB SER 12 24.233 -3.922 7.250 82 HB3 SER 12 1HB SER 12 24.571 -2.460 6.324 83 H GLY 13 H GLY 13 21.267 -3.368 7.942 84 HA2 GLY 13 2HA GLY 13 20.645 -6.229 7.832 85 HA3 GLY 13 1HA GLY 13 20.407 -5.170 9.215 86 H ARG 14 H ARG 14 18.551 -7.029 7.871 87 HA ARG 14 HA ARG 14 16.499 -5.099 7.047 88 HE ARG 14 HE ARG 14 17.568 -10.800 7.290 89 HB2 ARG 14 2HB ARG 14 15.284 -6.954 6.011 90 HB3 ARG 14 1HB ARG 14 16.903 -6.817 5.355 91 HG2 ARG 14 2HG ARG 14 16.229 -8.781 7.522 92 HG3 ARG 14 1HG ARG 14 16.004 -9.150 5.814 93 HD2 ARG 14 2HD ARG 14 18.375 -8.760 5.407 94 HD3 ARG 14 1HD ARG 14 18.608 -8.338 7.104 95 HH11 ARG 14 1HH1 ARG 14 20.179 -9.553 5.319 96 HH12 ARG 14 2HH1 ARG 14 21.030 -11.063 5.268 97 HH21 ARG 14 2HH2 ARG 14 20.182 -12.898 6.364 98 HH22 ARG 14 1HH2 ARG 14 18.679 -12.776 7.235 99 H GLU 15 H GLU 15 15.576 -4.430 8.865 100 HA GLU 15 HA GLU 15 15.175 -6.284 11.061 101 HB2 GLU 15 2HB GLU 15 14.468 -3.355 10.988 102 HB3 GLU 15 1HB GLU 15 14.716 -4.367 12.404 103 HG2 GLU 15 2HG GLU 15 16.857 -3.640 10.417 104 HG3 GLU 15 1HG GLU 15 16.585 -2.821 11.952 105 H ASN 16 H ASN 16 13.549 -7.586 10.197 106 HA ASN 16 HA ASN 16 10.990 -6.321 9.568 107 HB2 ASN 16 2HB ASN 16 11.918 -8.040 8.022 108 HB3 ASN 16 1HB ASN 16 11.810 -9.225 9.318 109 HD21 ASN 16 2HD2 ASN 16 8.540 -8.135 7.179 110 HD22 ASN 16 1HD2 ASN 16 10.052 -7.307 7.028 111 H LEU 17 H LEU 17 9.671 -5.994 11.228 112 HA LEU 17 HA LEU 17 9.586 -7.991 13.380 113 HG LEU 17 HG LEU 17 10.768 -5.222 15.527 114 HB2 LEU 17 2HB LEU 17 9.309 -4.993 13.508 115 HB3 LEU 17 1HB LEU 17 8.682 -6.024 14.774 116 HD11 LEU 17 1HD1 LEU 17 12.114 -7.264 15.742 117 HD12 LEU 17 2HD1 LEU 17 11.126 -8.028 14.497 118 HD13 LEU 17 3HD1 LEU 17 10.396 -7.549 16.029 119 HD21 LEU 17 3HD2 LEU 17 11.951 -6.121 12.905 120 HD22 LEU 17 1HD2 LEU 17 12.858 -5.474 14.272 121 HD23 LEU 17 2HD2 LEU 17 11.696 -4.455 13.424 122 H TYR 18 H TYR 18 7.359 -7.268 14.669 123 HA TYR 18 HA TYR 18 5.240 -7.473 12.635 124 HD1 TYR 18 1HD TYR 18 3.747 -9.297 12.019 125 HD2 TYR 18 2HD TYR 18 3.077 -8.960 16.208 126 HE1 TYR 18 1HE TYR 18 1.374 -9.844 11.678 127 HE2 TYR 18 2HE TYR 18 0.703 -9.501 15.878 128 HH TYR 18 HH TYR 18 -0.523 -10.663 12.868 129 HB2 TYR 18 2HB TYR 18 5.625 -9.576 13.949 130 HB3 TYR 18 1HB TYR 18 5.219 -8.687 15.412 131 H PHE 19 H PHE 19 3.127 -6.605 13.372 132 HA PHE 19 HA PHE 19 3.427 -3.949 14.216 133 HD1 PHE 19 2HD PHE 19 1.737 -6.506 11.778 134 HD2 PHE 19 1HD PHE 19 1.401 -2.336 12.556 135 HE1 PHE 19 2HE PHE 19 1.865 -6.049 9.364 136 HE2 PHE 19 1HE PHE 19 1.521 -1.869 10.145 137 HZ PHE 19 HZ PHE 19 1.757 -3.732 8.546 138 HB2 PHE 19 2HB PHE 19 0.955 -5.658 13.935 139 HB3 PHE 19 1HB PHE 19 0.915 -3.929 14.260 140 H GLN 20 H GLN 20 3.277 -6.746 16.093 141 HA GLN 20 HA GLN 20 1.970 -5.660 18.389 142 HB2 GLN 20 2HB GLN 20 2.116 -8.091 17.966 143 HB3 GLN 20 1HB GLN 20 3.859 -8.016 18.175 144 HG2 GLN 20 2HG GLN 20 3.069 -8.817 20.204 145 HG3 GLN 20 1HG GLN 20 3.372 -7.109 20.504 146 HE21 GLN 20 2HE2 GLN 20 -0.406 -6.710 20.094 147 HE22 GLN 20 1HE2 GLN 20 0.899 -6.341 19.019 148 H GLY 21 H GLY 21 5.269 -5.785 17.200 149 HA2 GLY 21 2HA GLY 21 6.109 -4.259 19.588 150 HA3 GLY 21 1HA GLY 21 7.140 -5.470 18.837 151 H MET 22 H MET 22 6.268 -2.209 18.905 152 HA MET 22 HA MET 22 7.162 -1.682 16.188 153 HB2 MET 22 2HB MET 22 5.942 0.074 18.306 154 HB3 MET 22 1HB MET 22 6.586 0.714 16.800 155 HG2 MET 22 2HG MET 22 4.372 -1.303 17.058 156 HG3 MET 22 1HG MET 22 4.184 0.408 16.673 157 HE1 MET 22 3HE MET 22 3.335 -1.392 13.279 158 HE2 MET 22 1HE MET 22 2.742 -0.318 14.546 159 HE3 MET 22 2HE MET 22 3.000 -2.028 14.890 160 H THR 23 H THR 23 9.246 -1.652 15.907 161 HA THR 23 HA THR 23 11.028 -0.550 17.921 162 HB THR 23 HB THR 23 12.810 -1.253 16.234 163 HG1 THR 23 1HG THR 23 11.834 -2.983 14.790 164 HG21 THR 23 3HG2 THR 23 12.626 -3.629 16.822 165 HG22 THR 23 1HG2 THR 23 10.956 -3.375 17.329 166 HG23 THR 23 2HG2 THR 23 12.273 -2.594 18.205 167 H ASP 24 H ASP 24 10.941 -0.230 14.393 168 HA ASP 24 HA ASP 24 10.454 2.537 14.260 169 HB2 ASP 24 2HB ASP 24 12.688 2.717 15.308 170 HB3 ASP 24 1HB ASP 24 13.377 1.769 13.995 171 H THR 25 H THR 25 11.945 -0.315 12.886 172 HA THR 25 HA THR 25 12.035 0.662 10.210 173 HB THR 25 HB THR 25 12.528 -1.777 9.678 174 HG1 THR 25 1HG THR 25 12.356 -3.185 11.245 175 HG21 THR 25 3HG2 THR 25 14.282 -0.085 10.000 176 HG22 THR 25 1HG2 THR 25 14.778 -1.653 10.632 177 HG23 THR 25 2HG2 THR 25 14.251 -0.384 11.737 178 H ALA 26 H ALA 26 9.360 0.036 11.880 179 HA ALA 26 HA ALA 26 7.814 -1.615 10.200 180 HB1 ALA 26 3HB ALA 26 5.876 -0.505 11.217 181 HB2 ALA 26 1HB ALA 26 6.941 0.724 11.898 182 HB3 ALA 26 2HB ALA 26 7.072 -0.951 12.434 183 H ALA 27 H ALA 27 8.985 1.614 9.900 184 HA ALA 27 HA ALA 27 7.163 2.566 7.955 185 HB1 ALA 27 3HB ALA 27 8.779 4.332 7.570 186 HB2 ALA 27 1HB ALA 27 10.014 3.420 8.441 187 HB3 ALA 27 2HB ALA 27 8.602 4.035 9.299 188 H GLU 28 H GLU 28 9.944 0.508 7.810 189 HA GLU 28 HA GLU 28 10.708 1.000 5.137 190 HB2 GLU 28 2HB GLU 28 12.177 -0.041 6.822 191 HB3 GLU 28 1HB GLU 28 11.140 -1.455 6.852 192 HG2 GLU 28 2HG GLU 28 12.394 -0.603 4.285 193 HG3 GLU 28 1HG GLU 28 13.349 -1.465 5.488 194 H ASP 29 H ASP 29 8.781 -1.647 6.560 195 HA ASP 29 HA ASP 29 8.366 -2.909 4.046 196 HB2 ASP 29 2HB ASP 29 8.309 -4.004 6.347 197 HB3 ASP 29 1HB ASP 29 6.679 -3.351 6.504 198 H VAL 30 H VAL 30 6.412 -0.708 6.014 199 HA VAL 30 HA VAL 30 4.092 -0.892 4.378 200 HB VAL 30 HB VAL 30 4.921 1.351 6.232 201 HG11 VAL 30 1HG1 VAL 30 2.218 0.681 5.066 202 HG12 VAL 30 2HG1 VAL 30 3.217 2.071 4.644 203 HG13 VAL 30 3HG1 VAL 30 2.539 1.933 6.265 204 HG21 VAL 30 3HG2 VAL 30 3.191 -1.073 6.709 205 HG22 VAL 30 1HG2 VAL 30 3.389 0.271 7.834 206 HG23 VAL 30 2HG2 VAL 30 4.770 -0.745 7.423 207 H ARG 31 H ARG 31 6.873 1.314 4.409 208 HA ARG 31 HA ARG 31 5.911 3.051 2.374 209 HE ARG 31 HE ARG 31 10.179 5.947 0.786 210 HB2 ARG 31 2HB ARG 31 7.786 3.565 3.952 211 HB3 ARG 31 1HB ARG 31 8.787 2.422 3.070 212 HG2 ARG 31 2HG ARG 31 8.638 3.775 1.074 213 HG3 ARG 31 1HG ARG 31 7.539 4.892 1.889 214 HD2 ARG 31 2HD ARG 31 9.319 5.349 3.552 215 HD3 ARG 31 1HD ARG 31 10.410 4.332 2.614 216 HH11 ARG 31 1HH1 ARG 31 9.200 6.948 3.995 217 HH12 ARG 31 2HH1 ARG 31 9.425 8.642 3.689 218 HH21 ARG 31 2HH2 ARG 31 10.197 9.331 1.626 219 HH22 ARG 31 1HH2 ARG 31 10.510 8.168 0.379 220 H LYS 32 H LYS 32 7.684 0.036 2.382 221 HA LYS 32 HA LYS 32 8.448 -0.212 -0.268 222 HB2 LYS 32 2HB LYS 32 8.972 -1.817 1.553 223 HB3 LYS 32 1HB LYS 32 7.301 -2.352 1.541 224 HG2 LYS 32 2HG LYS 32 7.664 -3.016 -0.869 225 HG3 LYS 32 1HG LYS 32 9.386 -2.748 -0.581 226 HD2 LYS 32 2HD LYS 32 7.595 -4.665 0.915 227 HD3 LYS 32 1HD LYS 32 8.822 -5.099 -0.273 228 HE2 LYS 32 2HE LYS 32 10.569 -4.249 1.171 229 HE3 LYS 32 1HE LYS 32 9.370 -3.683 2.331 230 HZ1 LYS 32 3HZ LYS 32 10.330 -5.763 3.046 231 HZ2 LYS 32 1HZ LYS 32 9.881 -6.520 1.595 232 HZ3 LYS 32 2HZ LYS 32 8.693 -5.983 2.686 233 H ILE 33 H ILE 33 5.319 -0.852 1.246 234 HA ILE 33 HA ILE 33 4.007 -1.765 -1.107 235 HB ILE 33 HB ILE 33 2.723 -0.522 1.330 236 HG12 ILE 33 2HG1 ILE 33 3.364 -3.440 0.851 237 HG13 ILE 33 1HG1 ILE 33 4.311 -2.377 1.888 238 HG21 ILE 33 1HG2 ILE 33 1.210 -0.771 -0.548 239 HG22 ILE 33 2HG2 ILE 33 0.808 -1.945 0.707 240 HG23 ILE 33 3HG2 ILE 33 1.681 -2.461 -0.736 241 HD11 ILE 33 3HD1 ILE 33 1.433 -3.164 2.279 242 HD12 ILE 33 1HD1 ILE 33 2.326 -2.029 3.295 243 HD13 ILE 33 2HD1 ILE 33 2.822 -3.718 3.216 244 H ALA 34 H ALA 34 4.114 1.342 0.582 245 HA ALA 34 HA ALA 34 2.275 2.732 -0.999 246 HB1 ALA 34 3HB ALA 34 3.052 3.512 1.183 247 HB2 ALA 34 1HB ALA 34 3.242 4.757 -0.051 248 HB3 ALA 34 2HB ALA 34 4.643 3.840 0.501 249 H THR 35 H THR 35 5.675 2.093 -1.489 250 HA THR 35 HA THR 35 6.333 4.015 -3.374 251 HB THR 35 HB THR 35 7.322 1.157 -3.259 252 HG1 THR 35 1HG THR 35 7.640 2.275 -1.285 253 HG21 THR 35 3HG2 THR 35 8.586 3.630 -4.452 254 HG22 THR 35 1HG2 THR 35 7.937 2.260 -5.355 255 HG23 THR 35 2HG2 THR 35 9.351 2.045 -4.322 256 H ALA 36 H ALA 36 4.392 1.147 -3.752 257 HA ALA 36 HA ALA 36 4.665 0.690 -6.493 258 HB1 ALA 36 3HB ALA 36 2.222 0.203 -4.796 259 HB2 ALA 36 1HB ALA 36 3.608 -0.879 -4.932 260 HB3 ALA 36 2HB ALA 36 2.598 -0.560 -6.342 261 H LEU 37 H LEU 37 2.630 3.028 -4.785 262 HA LEU 37 HA LEU 37 1.022 3.585 -7.079 263 HG LEU 37 HG LEU 37 2.385 5.178 -4.013 264 HB2 LEU 37 2HB LEU 37 -0.006 5.305 -5.778 265 HB3 LEU 37 1HB LEU 37 0.190 3.887 -4.781 266 HD11 LEU 37 1HD1 LEU 37 2.096 7.066 -5.522 267 HD12 LEU 37 2HD1 LEU 37 1.961 7.582 -3.839 268 HD13 LEU 37 3HD1 LEU 37 0.510 7.397 -4.823 269 HD21 LEU 37 3HD2 LEU 37 1.109 6.044 -2.123 270 HD22 LEU 37 1HD2 LEU 37 0.577 4.418 -2.557 271 HD23 LEU 37 2HD2 LEU 37 -0.392 5.819 -3.022 272 H LEU 38 H LEU 38 4.048 4.726 -5.883 273 HA LEU 38 HA LEU 38 4.146 7.117 -7.451 274 HG LEU 38 HG LEU 38 6.699 7.619 -4.838 275 HB2 LEU 38 2HB LEU 38 6.290 5.478 -6.105 276 HB3 LEU 38 1HB LEU 38 6.663 6.894 -7.063 277 HD11 LEU 38 1HD1 LEU 38 4.864 9.203 -4.668 278 HD12 LEU 38 2HD1 LEU 38 3.977 8.327 -5.913 279 HD13 LEU 38 3HD1 LEU 38 5.496 9.131 -6.313 280 HD21 LEU 38 3HD2 LEU 38 4.909 7.209 -3.222 281 HD22 LEU 38 1HD2 LEU 38 5.629 5.705 -3.798 282 HD23 LEU 38 2HD2 LEU 38 4.061 6.225 -4.416 283 H LYS 39 H LYS 39 4.694 3.765 -8.038 284 HA LYS 39 HA LYS 39 6.334 4.148 -10.358 285 HB2 LYS 39 2HB LYS 39 4.930 1.693 -9.314 286 HB3 LYS 39 1HB LYS 39 6.098 1.715 -10.618 287 HG2 LYS 39 2HG LYS 39 7.792 2.582 -9.024 288 HG3 LYS 39 1HG LYS 39 6.606 2.387 -7.732 289 HD2 LYS 39 2HD LYS 39 8.074 0.466 -7.774 290 HD3 LYS 39 1HD LYS 39 6.455 -0.021 -8.284 291 HE2 LYS 39 2HE LYS 39 7.196 0.186 -10.645 292 HE3 LYS 39 1HE LYS 39 8.826 0.529 -10.066 293 HZ1 LYS 39 3HZ LYS 39 7.284 -1.977 -9.686 294 HZ2 LYS 39 1HZ LYS 39 8.771 -1.655 -8.929 295 HZ3 LYS 39 2HZ LYS 39 8.682 -1.769 -10.620 296 H THR 40 H THR 40 3.055 2.844 -9.842 297 HA THR 40 HA THR 40 2.340 3.752 -12.531 298 HB THR 40 HB THR 40 1.081 1.529 -12.804 299 HG1 THR 40 1HG THR 40 2.813 0.011 -11.516 300 HG21 THR 40 3HG2 THR 40 3.033 2.119 -14.155 301 HG22 THR 40 1HG2 THR 40 3.044 0.402 -13.752 302 HG23 THR 40 2HG2 THR 40 4.101 1.519 -12.887 303 H ALA 41 H ALA 41 0.832 1.746 -10.030 304 HA ALA 41 HA ALA 41 -1.007 1.976 -8.730 305 HB1 ALA 41 3HB ALA 41 -1.854 4.179 -8.151 306 HB2 ALA 41 1HB ALA 41 -0.897 4.902 -9.444 307 HB3 ALA 41 2HB ALA 41 -0.093 4.141 -8.069 308 H ILE 42 H ILE 42 -1.467 4.149 -11.516 309 HA ILE 42 HA ILE 42 -4.276 3.602 -11.660 310 HB ILE 42 HB ILE 42 -2.486 4.970 -13.684 311 HG12 ILE 42 2HG1 ILE 42 -4.204 6.157 -11.493 312 HG13 ILE 42 1HG1 ILE 42 -2.448 6.036 -11.452 313 HG21 ILE 42 1HG2 ILE 42 -4.586 4.263 -14.678 314 HG22 ILE 42 2HG2 ILE 42 -4.560 6.017 -14.485 315 HG23 ILE 42 3HG2 ILE 42 -5.486 5.020 -13.362 316 HD11 ILE 42 3HD1 ILE 42 -3.185 8.275 -12.051 317 HD12 ILE 42 1HD1 ILE 42 -4.057 7.626 -13.441 318 HD13 ILE 42 2HD1 ILE 42 -2.297 7.521 -13.374 319 H GLU 43 H GLU 43 -5.401 2.341 -13.072 320 HA GLU 43 HA GLU 43 -3.832 0.529 -14.771 321 HB2 GLU 43 2HB GLU 43 -6.136 -0.784 -14.675 322 HB3 GLU 43 1HB GLU 43 -4.906 -0.977 -13.438 323 HG2 GLU 43 2HG GLU 43 -7.125 1.011 -13.137 324 HG3 GLU 43 1HG GLU 43 -7.333 -0.687 -12.706 325 H ILE 44 H ILE 44 -4.621 -0.009 -16.829 326 HA ILE 44 HA ILE 44 -6.231 2.123 -18.014 327 HB ILE 44 HB ILE 44 -5.292 1.219 -20.176 328 HG12 ILE 44 2HG1 ILE 44 -3.407 -0.230 -18.304 329 HG13 ILE 44 1HG1 ILE 44 -4.618 -1.001 -19.326 330 HG21 ILE 44 1HG2 ILE 44 -3.370 2.320 -18.137 331 HG22 ILE 44 2HG2 ILE 44 -4.462 3.254 -19.160 332 HG23 ILE 44 3HG2 ILE 44 -3.133 2.351 -19.886 333 HD11 ILE 44 3HD1 ILE 44 -2.400 -1.170 -20.291 334 HD12 ILE 44 1HD1 ILE 44 -2.247 0.587 -20.286 335 HD13 ILE 44 2HD1 ILE 44 -3.455 -0.191 -21.308 336 H VAL 45 H VAL 45 -8.263 1.687 -18.450 337 HA VAL 45 HA VAL 45 -9.120 -1.102 -18.743 338 HB VAL 45 HB VAL 45 -10.876 1.348 -18.600 339 HG11 VAL 45 1HG1 VAL 45 -11.950 -0.619 -19.533 340 HG12 VAL 45 2HG1 VAL 45 -12.623 -0.229 -17.949 341 HG13 VAL 45 3HG1 VAL 45 -11.480 -1.563 -18.120 342 HG21 VAL 45 3HG2 VAL 45 -9.511 1.234 -16.584 343 HG22 VAL 45 1HG2 VAL 45 -10.000 -0.442 -16.335 344 HG23 VAL 45 2HG2 VAL 45 -11.195 0.851 -16.222 345 H SER 46 H SER 46 -10.113 -1.824 -20.636 346 HA SER 46 HA SER 46 -10.037 0.058 -22.888 347 HG SER 46 HG SER 46 -8.920 -2.577 -25.073 348 HB2 SER 46 2HB SER 46 -8.083 -1.427 -23.000 349 HB3 SER 46 1HB SER 46 -9.145 -2.830 -22.963 350 H GLU 47 H GLU 47 -11.672 0.038 -24.217 351 HA GLU 47 HA GLU 47 -13.602 -2.172 -24.186 352 HB2 GLU 47 2HB GLU 47 -14.351 0.758 -24.033 353 HB3 GLU 47 1HB GLU 47 -15.475 -0.571 -24.238 354 HG2 GLU 47 2HG GLU 47 -14.909 -1.407 -22.022 355 HG3 GLU 47 1HG GLU 47 -13.754 -0.088 -21.817 356 H GLU 48 H GLU 48 -14.809 -2.326 -26.157 357 HA GLU 48 HA GLU 48 -13.530 -1.066 -28.448 358 HB2 GLU 48 2HB GLU 48 -15.843 -3.015 -28.302 359 HB3 GLU 48 1HB GLU 48 -15.055 -2.480 -29.777 360 HG2 GLU 48 2HG GLU 48 -12.967 -3.508 -29.035 361 HG3 GLU 48 1HG GLU 48 -13.765 -4.053 -27.560 362 H ASP 49 H ASP 49 -16.308 -0.830 -26.463 363 HA ASP 49 HA ASP 49 -17.829 0.862 -28.232 364 HB2 ASP 49 2HB ASP 49 -19.069 -0.571 -26.783 365 HB3 ASP 49 1HB ASP 49 -18.173 -0.027 -25.370 366 H GLY 50 H GLY 50 -16.141 1.321 -25.121 367 HA2 GLY 50 2HA GLY 50 -16.536 4.198 -25.331 368 HA3 GLY 50 1HA GLY 50 -15.871 3.338 -23.953 369 H GLY 51 H GLY 51 -13.820 1.922 -25.287 370 HA2 GLY 51 2HA GLY 51 -11.908 2.460 -26.693 371 HA3 GLY 51 1HA GLY 51 -12.081 4.122 -26.139 372 H ALA 52 H ALA 52 -9.907 3.989 -25.461 373 HA ALA 52 HA ALA 52 -9.251 2.288 -23.220 374 HB1 ALA 52 3HB ALA 52 -7.550 2.785 -24.915 375 HB2 ALA 52 1HB ALA 52 -7.052 3.326 -23.313 376 HB3 ALA 52 2HB ALA 52 -7.638 4.496 -24.494 377 H HIS 53 H HIS 53 -9.327 2.843 -21.126 378 HA HIS 53 HA HIS 53 -10.133 5.613 -20.495 379 HD1 HIS 53 1HD HIS 53 -13.101 6.043 -20.215 380 HD2 HIS 53 2HD HIS 53 -12.520 2.063 -21.264 381 HE1 HIS 53 1HE HIS 53 -14.887 5.515 -21.887 382 HE2 HIS 53 2HE HIS 53 -14.712 3.021 -22.234 383 HB2 HIS 53 2HB HIS 53 -11.066 3.064 -19.163 384 HB3 HIS 53 1HB HIS 53 -11.488 4.694 -18.651 385 H ASN 54 H ASN 54 -8.819 6.636 -19.158 386 HA ASN 54 HA ASN 54 -6.977 5.161 -17.439 387 HB2 ASN 54 2HB ASN 54 -6.147 7.140 -18.674 388 HB3 ASN 54 1HB ASN 54 -7.360 8.141 -17.883 389 HD21 ASN 54 2HD2 ASN 54 -5.586 8.501 -14.904 390 HD22 ASN 54 1HD2 ASN 54 -7.108 8.664 -15.704 391 H GLN 55 H GLN 55 -7.907 4.416 -15.596 392 HA GLN 55 HA GLN 55 -10.056 6.069 -14.441 393 HB2 GLN 55 2HB GLN 55 -10.841 3.957 -15.505 394 HB3 GLN 55 1HB GLN 55 -9.846 3.056 -14.367 395 HG2 GLN 55 2HG GLN 55 -11.142 4.035 -12.507 396 HG3 GLN 55 1HG GLN 55 -12.175 4.839 -13.688 397 HE21 GLN 55 2HE2 GLN 55 -12.389 0.784 -13.964 398 HE22 GLN 55 1HE2 GLN 55 -10.877 1.615 -14.102 399 H CYS 56 H CYS 56 -10.131 6.378 -12.281 400 HA CYS 56 HA CYS 56 -7.859 5.468 -10.693 401 HG CYS 56 HG CYS 56 -7.873 8.033 -12.012 402 HB2 CYS 56 2HB CYS 56 -10.149 7.308 -9.953 403 HB3 CYS 56 1HB CYS 56 -8.707 7.012 -8.988 404 H LYS 57 H LYS 57 -8.018 3.580 -9.742 405 HA LYS 57 HA LYS 57 -9.985 1.774 -9.924 406 HB2 LYS 57 2HB LYS 57 -7.741 1.261 -9.130 407 HB3 LYS 57 1HB LYS 57 -8.086 2.046 -7.595 408 HG2 LYS 57 2HG LYS 57 -9.834 0.369 -7.158 409 HG3 LYS 57 1HG LYS 57 -9.413 -0.432 -8.672 410 HD2 LYS 57 2HD LYS 57 -7.418 0.041 -6.469 411 HD3 LYS 57 1HD LYS 57 -8.415 -1.410 -6.554 412 HE2 LYS 57 2HE LYS 57 -6.410 -2.029 -7.574 413 HE3 LYS 57 1HE LYS 57 -7.490 -1.686 -8.921 414 HZ1 LYS 57 3HZ LYS 57 -6.449 0.477 -9.179 415 HZ2 LYS 57 1HZ LYS 57 -5.285 -0.750 -9.268 416 HZ3 LYS 57 2HZ LYS 57 -5.434 0.174 -7.859 417 H LEU 58 H LEU 58 -9.689 3.939 -7.075 418 HA LEU 58 HA LEU 58 -12.410 3.115 -6.385 419 HG LEU 58 HG LEU 58 -9.606 2.620 -3.184 420 HB2 LEU 58 2HB LEU 58 -11.825 3.061 -3.996 421 HB3 LEU 58 1HB LEU 58 -11.079 1.815 -4.952 422 HD11 LEU 58 1HD1 LEU 58 -8.622 1.771 -5.271 423 HD12 LEU 58 2HD1 LEU 58 -7.602 2.945 -4.443 424 HD13 LEU 58 3HD1 LEU 58 -8.519 3.428 -5.867 425 HD21 LEU 58 3HD2 LEU 58 -9.714 5.278 -4.581 426 HD22 LEU 58 1HD2 LEU 58 -8.631 4.849 -3.258 427 HD23 LEU 58 2HD2 LEU 58 -10.371 4.898 -2.989 428 H CYS 59 H CYS 59 -10.742 5.553 -7.351 429 HA CYS 59 HA CYS 59 -11.609 7.564 -5.451 430 HG CYS 59 HG CYS 59 -8.497 8.891 -5.488 431 HB2 CYS 59 2HB CYS 59 -10.211 7.862 -8.114 432 HB3 CYS 59 1HB CYS 59 -10.557 9.181 -6.997 433 H GLY 60 H GLY 60 -13.059 5.897 -7.917 434 HA2 GLY 60 2HA GLY 60 -15.125 6.130 -8.881 435 HA3 GLY 60 1HA GLY 60 -15.405 7.475 -7.789 436 H ALA 61 H ALA 61 -13.013 7.037 -10.373 437 HA ALA 61 HA ALA 61 -14.286 9.096 -11.964 438 HB1 ALA 61 3HB ALA 61 -12.320 10.528 -12.020 439 HB2 ALA 61 1HB ALA 61 -11.518 9.488 -10.843 440 HB3 ALA 61 2HB ALA 61 -12.965 10.388 -10.386 441 H SER 62 H SER 62 -13.849 8.909 -14.089 442 HA SER 62 HA SER 62 -11.602 7.269 -14.975 443 HG SER 62 HG SER 62 -13.557 5.095 -17.023 444 HB2 SER 62 2HB SER 62 -13.611 5.793 -14.795 445 HB3 SER 62 1HB SER 62 -14.448 6.845 -15.933 446 H VAL 63 H VAL 63 -10.630 8.132 -16.734 447 HA VAL 63 HA VAL 63 -12.077 10.216 -18.231 448 HB VAL 63 HB VAL 63 -10.548 11.208 -16.490 449 HG11 VAL 63 1HG1 VAL 63 -8.133 11.184 -16.885 450 HG12 VAL 63 2HG1 VAL 63 -8.363 10.048 -18.215 451 HG13 VAL 63 3HG1 VAL 63 -8.755 9.562 -16.567 452 HG21 VAL 63 3HG2 VAL 63 -11.206 12.477 -18.455 453 HG22 VAL 63 1HG2 VAL 63 -9.845 11.809 -19.356 454 HG23 VAL 63 2HG2 VAL 63 -9.556 12.868 -17.974 455 HA PRO 64 HA PRO 64 -10.695 8.156 -21.982 456 HB2 PRO 64 1HB PRO 64 -10.934 9.710 -23.681 457 HB3 PRO 64 2HB PRO 64 -10.098 10.980 -22.775 458 HG2 PRO 64 2HG PRO 64 -12.307 11.655 -22.477 459 HG3 PRO 64 1HG PRO 64 -12.912 9.990 -22.509 460 HD2 PRO 64 2HD PRO 64 -11.737 11.531 -20.263 461 HD3 PRO 64 1HD PRO 64 -12.930 10.217 -20.234 462 H TRP 65 H TRP 65 -8.801 7.361 -22.602 463 HA TRP 65 HA TRP 65 -6.471 7.793 -21.144 464 HD1 TRP 65 HD TRP 65 -4.704 5.951 -25.052 465 HE1 TRP 65 1HE TRP 65 -2.261 5.450 -24.376 466 HE3 TRP 65 3HE TRP 65 -5.170 6.394 -19.979 467 HZ2 TRP 65 2HZ TRP 65 -0.749 5.268 -21.995 468 HZ3 TRP 65 3HZ TRP 65 -3.182 6.039 -18.576 469 HH2 TRP 65 HH TRP 65 -1.021 5.487 -19.563 470 HB2 TRP 65 2HB TRP 65 -6.964 5.712 -22.308 471 HB3 TRP 65 1HB TRP 65 -6.854 6.528 -23.860 472 H LEU 66 H LEU 66 -4.929 9.230 -21.234 473 HA LEU 66 HA LEU 66 -3.401 10.734 -21.949 474 HG LEU 66 HG LEU 66 -3.069 8.185 -23.614 475 HB2 LEU 66 2HB LEU 66 -4.367 9.959 -24.693 476 HB3 LEU 66 1HB LEU 66 -3.067 11.097 -24.410 477 HD11 LEU 66 1HD1 LEU 66 -2.858 8.546 -26.023 478 HD12 LEU 66 2HD1 LEU 66 -1.355 7.943 -25.325 479 HD13 LEU 66 3HD1 LEU 66 -1.511 9.650 -25.741 480 HD21 LEU 66 3HD2 LEU 66 -1.826 9.576 -22.027 481 HD22 LEU 66 1HD2 LEU 66 -0.897 10.266 -23.359 482 HD23 LEU 66 2HD2 LEU 66 -0.747 8.552 -22.973 483 H GLN 67 H GLN 67 -6.555 11.242 -21.873 484 HA GLN 67 HA GLN 67 -6.760 13.699 -23.335 485 HB2 GLN 67 2HB GLN 67 -8.691 12.175 -22.741 486 HB3 GLN 67 1HB GLN 67 -8.564 12.772 -21.097 487 HG2 GLN 67 2HG GLN 67 -8.870 14.721 -23.335 488 HG3 GLN 67 1HG GLN 67 -10.275 13.813 -22.788 489 HE21 GLN 67 2HE2 GLN 67 -9.697 15.351 -19.399 490 HE22 GLN 67 1HE2 GLN 67 -9.488 13.753 -20.015 491 H THR 68 H THR 68 -6.231 12.832 -19.946 492 HA THR 68 HA THR 68 -4.987 15.442 -19.526 493 HB THR 68 HB THR 68 -6.143 15.395 -17.180 494 HG1 THR 68 1HG THR 68 -8.415 14.592 -17.619 495 HG21 THR 68 3HG2 THR 68 -7.621 16.230 -19.680 496 HG22 THR 68 1HG2 THR 68 -6.436 17.192 -18.796 497 HG23 THR 68 2HG2 THR 68 -7.981 16.790 -18.046 498 H GLY 69 H GLY 69 -5.979 12.875 -17.290 499 HA2 GLY 69 2HA GLY 69 -4.298 11.141 -16.684 500 HA3 GLY 69 1HA GLY 69 -3.122 12.445 -16.676 501 H ASP 70 H ASP 70 -2.922 13.739 -14.887 502 HA ASP 70 HA ASP 70 -4.096 12.785 -12.454 503 HB2 ASP 70 2HB ASP 70 -2.179 14.973 -13.151 504 HB3 ASP 70 1HB ASP 70 -2.966 15.000 -11.577 505 H GLU 71 H GLU 71 -4.825 15.276 -14.731 506 HA GLU 71 HA GLU 71 -6.577 16.745 -13.011 507 HB2 GLU 71 2HB GLU 71 -5.473 17.738 -15.016 508 HB3 GLU 71 1HB GLU 71 -6.483 16.722 -16.035 509 HG2 GLU 71 2HG GLU 71 -7.348 18.991 -15.884 510 HG3 GLU 71 1HG GLU 71 -8.475 17.823 -15.191 511 H ILE 72 H ILE 72 -8.040 15.407 -12.132 512 HA ILE 72 HA ILE 72 -10.275 14.545 -13.692 513 HB ILE 72 HB ILE 72 -8.560 12.732 -14.117 514 HG12 ILE 72 2HG1 ILE 72 -11.022 11.835 -12.597 515 HG13 ILE 72 1HG1 ILE 72 -10.987 12.292 -14.299 516 HG21 ILE 72 1HG2 ILE 72 -8.944 12.166 -11.182 517 HG22 ILE 72 2HG2 ILE 72 -7.472 12.767 -11.942 518 HG23 ILE 72 3HG2 ILE 72 -8.064 11.151 -12.324 519 HD11 ILE 72 3HD1 ILE 72 -9.469 10.430 -14.754 520 HD12 ILE 72 1HD1 ILE 72 -10.985 9.883 -14.036 521 HD13 ILE 72 2HD1 ILE 72 -9.526 9.976 -13.051 522 H LYS 73 H LYS 73 -11.852 13.322 -12.104 523 HA LYS 73 HA LYS 73 -11.984 14.783 -9.671 524 HB2 LYS 73 2HB LYS 73 -13.480 12.305 -10.538 525 HB3 LYS 73 1HB LYS 73 -13.839 13.222 -9.082 526 HG2 LYS 73 2HG LYS 73 -14.170 15.220 -10.635 527 HG3 LYS 73 1HG LYS 73 -14.203 14.035 -11.943 528 HD2 LYS 73 2HD LYS 73 -16.039 12.858 -10.818 529 HD3 LYS 73 1HD LYS 73 -16.011 14.060 -9.529 530 HE2 LYS 73 2HE LYS 73 -17.785 14.642 -11.008 531 HE3 LYS 73 1HE LYS 73 -16.484 15.806 -11.254 532 HZ1 LYS 73 3HZ LYS 73 -15.812 14.608 -13.227 533 HZ2 LYS 73 1HZ LYS 73 -17.446 15.037 -13.345 534 HZ3 LYS 73 2HZ LYS 73 -17.015 13.440 -12.972 535 H HIS 74 H HIS 74 -11.726 14.048 -7.547 536 HA HIS 74 HA HIS 74 -10.186 11.564 -7.233 537 HD1 HIS 74 1HD HIS 74 -7.044 11.676 -7.030 538 HD2 HIS 74 2HD HIS 74 -8.555 15.285 -8.425 539 HE1 HIS 74 1HE HIS 74 -5.498 12.382 -8.881 540 HE2 HIS 74 2HE HIS 74 -6.509 14.495 -9.804 541 HB2 HIS 74 2HB HIS 74 -9.544 14.255 -6.004 542 HB3 HIS 74 1HB HIS 74 -8.819 12.742 -5.478 543 H ALA 75 H ALA 75 -10.296 10.672 -5.059 544 HA ALA 75 HA ALA 75 -12.867 11.294 -3.802 545 HB1 ALA 75 3HB ALA 75 -12.699 9.088 -2.767 546 HB2 ALA 75 1HB ALA 75 -11.102 8.865 -3.484 547 HB3 ALA 75 2HB ALA 75 -12.527 8.975 -4.518 548 H ASP 76 H ASP 76 -13.025 11.717 -1.599 549 HA ASP 76 HA ASP 76 -10.512 12.726 -0.446 550 HB2 ASP 76 2HB ASP 76 -12.436 14.314 -0.900 551 HB3 ASP 76 1HB ASP 76 -13.322 13.475 0.369 552 H ASP 77 H ASP 77 -13.069 10.469 0.014 553 HA ASP 77 HA ASP 77 -12.317 9.959 2.799 554 HB2 ASP 77 2HB ASP 77 -14.712 10.049 2.179 555 HB3 ASP 77 1HB ASP 77 -14.473 8.693 1.087 556 H CYS 78 H CYS 78 -11.160 9.146 -0.101 557 HA CYS 78 HA CYS 78 -10.961 6.300 0.075 558 HG CYS 78 HG CYS 78 -9.472 9.858 -1.663 559 HB2 CYS 78 2HB CYS 78 -9.591 6.449 -1.900 560 HB3 CYS 78 1HB CYS 78 -10.932 7.573 -2.072 561 HA PRO 79 HA PRO 79 -7.352 5.916 2.608 562 HB2 PRO 79 1HB PRO 79 -7.735 3.657 2.641 563 HB3 PRO 79 2HB PRO 79 -6.302 3.614 1.606 564 HG2 PRO 79 2HG PRO 79 -7.556 3.449 -0.342 565 HG3 PRO 79 1HG PRO 79 -8.604 2.560 0.778 566 HD2 PRO 79 2HD PRO 79 -9.486 4.666 -0.659 567 HD3 PRO 79 1HD PRO 79 -10.095 4.309 0.972 568 H VAL 80 H VAL 80 -7.186 6.436 -0.748 569 HA VAL 80 HA VAL 80 -4.426 6.204 -1.236 570 HB VAL 80 HB VAL 80 -6.397 8.104 -2.533 571 HG11 VAL 80 1HG1 VAL 80 -4.880 8.104 -4.435 572 HG12 VAL 80 2HG1 VAL 80 -3.755 7.066 -3.563 573 HG13 VAL 80 3HG1 VAL 80 -4.066 8.706 -2.991 574 HG21 VAL 80 3HG2 VAL 80 -7.148 5.781 -2.654 575 HG22 VAL 80 1HG2 VAL 80 -5.593 5.308 -3.337 576 HG23 VAL 80 2HG2 VAL 80 -6.663 6.375 -4.243 577 H VAL 81 H VAL 81 -6.392 8.873 0.019 578 HA VAL 81 HA VAL 81 -4.365 10.833 0.068 579 HB VAL 81 HB VAL 81 -6.699 10.556 1.976 580 HG11 VAL 81 1HG1 VAL 81 -5.032 12.955 1.210 581 HG12 VAL 81 2HG1 VAL 81 -5.052 12.144 2.778 582 HG13 VAL 81 3HG1 VAL 81 -6.484 13.000 2.208 583 HG21 VAL 81 3HG2 VAL 81 -7.463 10.534 -0.338 584 HG22 VAL 81 1HG2 VAL 81 -6.542 12.002 -0.668 585 HG23 VAL 81 2HG2 VAL 81 -7.902 12.048 0.452 586 H ILE 82 H ILE 82 -5.466 8.512 2.498 587 HA ILE 82 HA ILE 82 -3.739 9.182 4.586 588 HB ILE 82 HB ILE 82 -4.780 6.433 3.865 589 HG12 ILE 82 2HG1 ILE 82 -6.573 8.125 4.093 590 HG13 ILE 82 1HG1 ILE 82 -6.640 6.910 5.364 591 HG21 ILE 82 1HG2 ILE 82 -2.971 6.323 5.484 592 HG22 ILE 82 2HG2 ILE 82 -4.512 5.935 6.247 593 HG23 ILE 82 3HG2 ILE 82 -3.782 7.521 6.495 594 HD11 ILE 82 3HD1 ILE 82 -5.619 8.464 6.926 595 HD12 ILE 82 1HD1 ILE 82 -7.077 9.155 6.211 596 HD13 ILE 82 2HD1 ILE 82 -5.489 9.674 5.648 597 H ALA 83 H ALA 83 -3.324 6.858 1.931 598 HA ALA 83 HA ALA 83 -0.862 5.784 2.675 599 HB1 ALA 83 3HB ALA 83 -0.622 5.113 0.346 600 HB2 ALA 83 1HB ALA 83 -1.904 6.232 -0.122 601 HB3 ALA 83 2HB ALA 83 -2.272 4.847 0.908 602 H LYS 84 H LYS 84 -1.569 8.654 0.707 603 HA LYS 84 HA LYS 84 1.084 9.283 0.036 604 HB2 LYS 84 2HB LYS 84 -1.335 11.053 0.369 605 HB3 LYS 84 1HB LYS 84 0.208 11.630 -0.241 606 HG2 LYS 84 2HG LYS 84 0.019 9.915 -2.062 607 HG3 LYS 84 1HG LYS 84 -1.629 9.613 -1.502 608 HD2 LYS 84 2HD LYS 84 -2.220 11.931 -1.905 609 HD3 LYS 84 1HD LYS 84 -0.559 12.295 -2.375 610 HE2 LYS 84 2HE LYS 84 -0.815 10.601 -4.213 611 HE3 LYS 84 1HE LYS 84 -2.532 10.528 -3.810 612 HZ1 LYS 84 3HZ LYS 84 -2.676 12.917 -4.250 613 HZ2 LYS 84 1HZ LYS 84 -2.153 12.061 -5.619 614 HZ3 LYS 84 2HZ LYS 84 -1.037 12.939 -4.692 615 H GLN 85 H GLN 85 -0.934 10.317 2.763 616 HA GLN 85 HA GLN 85 0.931 12.043 3.942 617 HB2 GLN 85 2HB GLN 85 -1.264 10.424 5.248 618 HB3 GLN 85 1HB GLN 85 -0.476 11.830 5.937 619 HG2 GLN 85 2HG GLN 85 -1.337 13.187 4.063 620 HG3 GLN 85 1HG GLN 85 -2.199 11.766 3.476 621 HE21 GLN 85 2HE2 GLN 85 -3.649 13.983 6.528 622 HE22 GLN 85 1HE2 GLN 85 -2.082 14.265 5.856 623 H ILE 86 H ILE 86 0.336 8.601 4.277 624 HA ILE 86 HA ILE 86 2.058 8.060 6.421 625 HB ILE 86 HB ILE 86 1.123 6.323 4.137 626 HG12 ILE 86 2HG1 ILE 86 0.342 6.418 7.058 627 HG13 ILE 86 1HG1 ILE 86 -0.595 7.090 5.728 628 HG21 ILE 86 1HG2 ILE 86 2.626 5.443 6.597 629 HG22 ILE 86 2HG2 ILE 86 3.261 5.462 4.953 630 HG23 ILE 86 3HG2 ILE 86 1.927 4.387 5.370 631 HD11 ILE 86 3HD1 ILE 86 0.046 4.177 6.149 632 HD12 ILE 86 1HD1 ILE 86 -0.880 4.843 4.803 633 HD13 ILE 86 2HD1 ILE 86 -1.505 4.962 6.449 634 H LEU 87 H LEU 87 2.669 7.748 2.906 635 HA LEU 87 HA LEU 87 5.354 6.906 3.311 636 HG LEU 87 HG LEU 87 3.107 8.683 0.972 637 HB2 LEU 87 2HB LEU 87 5.591 7.033 0.903 638 HB3 LEU 87 1HB LEU 87 4.089 6.247 1.337 639 HD11 LEU 87 1HD1 LEU 87 5.546 8.640 -0.796 640 HD12 LEU 87 2HD1 LEU 87 5.246 9.746 0.546 641 HD13 LEU 87 3HD1 LEU 87 4.224 9.806 -0.892 642 HD21 LEU 87 3HD2 LEU 87 3.830 6.793 -1.264 643 HD22 LEU 87 1HD2 LEU 87 2.585 8.040 -1.330 644 HD23 LEU 87 2HD2 LEU 87 2.411 6.680 -0.221 645 H SER 88 H SER 88 3.885 9.996 3.243 646 HA SER 88 HA SER 88 6.285 11.413 2.529 647 HG SER 88 HG SER 88 3.332 11.687 1.600 648 HB2 SER 88 2HB SER 88 3.653 12.376 3.667 649 HB3 SER 88 1HB SER 88 4.960 13.423 3.124 650 H SER 89 H SER 89 4.493 10.657 5.475 651 HA SER 89 HA SER 89 5.068 10.612 7.665 652 HG SER 89 HG SER 89 6.092 8.781 6.419 653 HB2 SER 89 2HB SER 89 7.944 10.815 6.765 654 HB3 SER 89 1HB SER 89 7.329 10.093 8.252 655 H ARG 90 H ARG 90 4.947 13.234 6.066 656 HA ARG 90 HA ARG 90 6.165 14.918 8.132 657 HE ARG 90 HE ARG 90 6.184 14.972 2.159 658 HB2 ARG 90 2HB ARG 90 6.576 16.622 6.318 659 HB3 ARG 90 1HB ARG 90 7.593 15.191 6.264 660 HG2 ARG 90 2HG ARG 90 6.154 14.261 4.500 661 HG3 ARG 90 1HG ARG 90 5.190 15.741 4.535 662 HD2 ARG 90 2HD ARG 90 7.113 17.050 3.873 663 HD3 ARG 90 1HD ARG 90 8.147 15.625 3.951 664 HH11 ARG 90 1HH1 ARG 90 8.542 17.549 2.427 665 HH12 ARG 90 2HH1 ARG 90 8.712 17.732 0.703 666 HH21 ARG 90 2HH2 ARG 90 7.505 16.429 -0.729 667 HH22 ARG 90 1HH2 ARG 90 6.409 15.217 -0.116 668 HA PRO 91 HA PRO 91 1.941 16.375 8.202 669 HB2 PRO 91 1HB PRO 91 1.680 16.326 10.442 670 HB3 PRO 91 2HB PRO 91 2.560 17.849 10.575 671 HG2 PRO 91 2HG PRO 91 4.162 16.618 11.621 672 HG3 PRO 91 1HG PRO 91 3.502 15.094 11.007 673 HD2 PRO 91 2HD PRO 91 5.471 16.957 9.746 674 HD3 PRO 91 1HD PRO 91 5.407 15.180 9.714 675 H LYS 92 H LYS 92 1.457 17.954 6.810 676 HA LYS 92 HA LYS 92 2.770 20.566 7.094 677 HB2 LYS 92 2HB LYS 92 2.860 19.722 4.836 678 HB3 LYS 92 1HB LYS 92 1.136 19.376 4.841 679 HG2 LYS 92 2HG LYS 92 0.672 21.787 5.006 680 HG3 LYS 92 1HG LYS 92 2.405 22.108 4.941 681 HD2 LYS 92 2HD LYS 92 2.551 21.208 2.726 682 HD3 LYS 92 1HD LYS 92 0.880 20.640 2.794 683 HE2 LYS 92 2HE LYS 92 1.707 23.533 2.966 684 HE3 LYS 92 1HE LYS 92 1.193 22.736 1.480 685 HZ1 LYS 92 3HZ LYS 92 -0.962 22.344 2.425 686 HZ2 LYS 92 1HZ LYS 92 -0.598 23.991 2.595 687 HZ3 LYS 92 2HZ LYS 92 -0.482 22.953 3.926 688 H LEU 93 H LEU 93 1.710 21.795 8.536 689 HA LEU 93 HA LEU 93 -1.232 21.776 8.434 690 HG LEU 93 HG LEU 93 0.499 20.136 10.482 691 HB2 LEU 93 2HB LEU 93 0.570 22.589 10.715 692 HB3 LEU 93 1HB LEU 93 -1.181 22.630 10.739 693 HD11 LEU 93 1HD1 LEU 93 0.657 21.126 12.700 694 HD12 LEU 93 2HD1 LEU 93 -0.288 19.637 12.740 695 HD13 LEU 93 3HD1 LEU 93 -1.103 21.200 12.801 696 HD21 LEU 93 3HD2 LEU 93 -2.481 20.479 10.779 697 HD22 LEU 93 1HD2 LEU 93 -1.613 18.945 10.793 698 HD23 LEU 93 2HD2 LEU 93 -1.638 19.929 9.330 699 H HIS 94 H HIS 94 1.013 24.125 9.823 700 HA HIS 94 HA HIS 94 1.092 26.385 9.727 701 HD1 HIS 94 1HD HIS 94 3.175 28.133 8.180 702 HD2 HIS 94 2HD HIS 94 3.043 24.174 6.894 703 HE1 HIS 94 1HE HIS 94 5.577 27.420 7.910 704 HE2 HIS 94 2HE HIS 94 5.481 25.015 7.163 705 HB2 HIS 94 2HB HIS 94 0.684 25.695 6.831 706 HB3 HIS 94 1HB HIS 94 0.854 27.365 7.355 707 H ALA 95 H ALA 95 -1.220 26.355 7.107 708 HA ALA 95 HA ALA 95 -3.436 27.094 8.808 709 HB1 ALA 95 3HB ALA 95 -3.796 29.276 7.727 710 HB2 ALA 95 1HB ALA 95 -2.273 29.089 6.856 711 HB3 ALA 95 2HB ALA 95 -2.271 29.233 8.614 712 H VAL 96 H VAL 96 -3.379 24.909 7.417 713 HA VAL 96 HA VAL 96 -4.589 23.664 5.957 714 HB VAL 96 HB VAL 96 -5.693 26.270 4.872 715 HG11 VAL 96 1HG1 VAL 96 -5.834 24.454 3.248 716 HG12 VAL 96 2HG1 VAL 96 -7.431 24.885 3.857 717 HG13 VAL 96 3HG1 VAL 96 -6.626 23.432 4.447 718 HG21 VAL 96 3HG2 VAL 96 -6.861 24.312 6.851 719 HG22 VAL 96 1HG2 VAL 96 -7.708 25.699 6.165 720 HG23 VAL 96 2HG2 VAL 96 -6.301 25.947 7.200 721 HA MET 1 HA MET 1 -12.847 26.751 -18.337 722 H1 MET 1 1H MET 1 -10.353 25.266 -17.747 723 H2 MET 1 2H MET 1 -10.847 26.699 -16.993 724 H3 MET 1 3H MET 1 -10.462 26.700 -18.646 725 HB2 MET 1 2HB MET 1 -11.802 24.101 -19.361 726 HB3 MET 1 1HB MET 1 -13.427 24.707 -19.642 727 HG2 MET 1 2HG MET 1 -12.573 26.549 -20.919 728 HG3 MET 1 1HG MET 1 -10.912 26.086 -20.543 729 HE1 MET 1 3HE MET 1 -11.867 26.621 -23.496 730 HE2 MET 1 1HE MET 1 -11.170 25.250 -24.358 731 HE3 MET 1 2HE MET 1 -10.235 26.073 -23.111 732 H GLY 2 H GLY 2 -14.717 25.915 -17.395 733 HA2 GLY 2 2HA GLY 2 -15.213 23.560 -16.196 734 HA3 GLY 2 1HA GLY 2 -14.249 24.379 -14.975 735 H SER 3 H SER 3 -17.112 23.508 -15.136 736 HA SER 3 HA SER 3 -18.575 25.993 -14.922 737 HG SER 3 HG SER 3 -21.284 25.091 -15.032 738 HB2 SER 3 2HB SER 3 -19.668 24.007 -15.878 739 HB3 SER 3 1HB SER 3 -19.429 23.136 -14.364 740 H SER 4 H SER 4 -19.643 26.679 -12.984 741 HA SER 4 HA SER 4 -17.886 26.538 -10.738 742 HG SER 4 HG SER 4 -18.324 28.533 -9.375 743 HB2 SER 4 2HB SER 4 -19.212 28.574 -11.443 744 HB3 SER 4 1HB SER 4 -20.650 27.769 -10.819 745 H HIS 5 H HIS 5 -17.809 24.694 -9.638 746 HA HIS 5 HA HIS 5 -20.335 23.638 -8.547 747 HD1 HIS 5 1HD HIS 5 -21.059 20.289 -9.243 748 HD2 HIS 5 2HD HIS 5 -19.308 22.779 -12.078 749 HE1 HIS 5 1HE HIS 5 -22.327 19.886 -11.375 750 HE2 HIS 5 2HE HIS 5 -21.381 21.544 -13.020 751 HB2 HIS 5 2HB HIS 5 -17.932 22.142 -9.580 752 HB3 HIS 5 1HB HIS 5 -18.998 21.419 -8.380 753 H HIS 6 H HIS 6 -19.602 22.080 -6.563 754 HA HIS 6 HA HIS 6 -17.924 23.827 -4.876 755 HD1 HIS 6 1HD HIS 6 -19.786 24.685 -1.800 756 HD2 HIS 6 2HD HIS 6 -21.280 24.671 -5.687 757 HE1 HIS 6 1HE HIS 6 -21.058 26.842 -2.050 758 HE2 HIS 6 2HE HIS 6 -21.911 26.846 -4.420 759 HB2 HIS 6 2HB HIS 6 -20.352 22.170 -4.256 760 HB3 HIS 6 1HB HIS 6 -19.219 22.606 -2.981 761 H HIS 7 H HIS 7 -16.046 23.054 -4.267 762 HA HIS 7 HA HIS 7 -15.501 20.188 -4.449 763 HD1 HIS 7 1HD HIS 7 -12.314 23.585 -5.413 764 HD2 HIS 7 2HD HIS 7 -14.764 20.569 -6.913 765 HE1 HIS 7 1HE HIS 7 -12.224 23.815 -7.918 766 HE2 HIS 7 2HE HIS 7 -13.615 21.908 -8.813 767 HB2 HIS 7 2HB HIS 7 -13.639 22.435 -3.632 768 HB3 HIS 7 1HB HIS 7 -13.175 20.779 -3.987 769 H HIS 8 H HIS 8 -15.330 18.865 -2.691 770 HA HIS 8 HA HIS 8 -15.531 20.167 -0.050 771 HD1 HIS 8 1HD HIS 8 -19.083 17.973 -1.913 772 HD2 HIS 8 2HD HIS 8 -17.861 21.138 0.500 773 HE1 HIS 8 1HE HIS 8 -20.926 19.677 -2.041 774 HE2 HIS 8 2HE HIS 8 -20.271 21.464 -0.390 775 HB2 HIS 8 2HB HIS 8 -16.833 17.596 -0.964 776 HB3 HIS 8 1HB HIS 8 -16.826 18.173 0.698 777 H HIS 9 H HIS 9 -13.460 20.076 0.583 778 HA HIS 9 HA HIS 9 -12.208 17.412 0.712 779 HD1 HIS 9 1HD HIS 9 -9.873 16.515 0.967 780 HD2 HIS 9 2HD HIS 9 -8.455 20.400 1.444 781 HE1 HIS 9 1HE HIS 9 -7.609 16.293 2.038 782 HE2 HIS 9 2HE HIS 9 -6.686 18.637 2.121 783 HB2 HIS 9 2HB HIS 9 -10.861 18.835 -0.685 784 HB3 HIS 9 1HB HIS 9 -10.950 20.153 0.475 785 H HIS 10 H HIS 10 -12.280 16.583 2.662 786 HA HIS 10 HA HIS 10 -12.764 18.341 4.940 787 HD1 HIS 10 1HD HIS 10 -12.159 14.667 7.105 788 HD2 HIS 10 2HD HIS 10 -14.966 17.731 6.984 789 HE1 HIS 10 1HE HIS 10 -12.906 14.996 9.483 790 HE2 HIS 10 2HE HIS 10 -14.416 17.011 9.408 791 HB2 HIS 10 2HB HIS 10 -14.203 16.352 4.566 792 HB3 HIS 10 1HB HIS 10 -12.793 15.318 4.760 793 H SER 11 H SER 11 -11.530 18.208 6.870 794 HA SER 11 HA SER 11 -8.772 18.076 6.672 795 HG SER 11 HG SER 11 -9.655 20.020 9.157 796 HB2 SER 11 2HB SER 11 -10.411 17.539 9.165 797 HB3 SER 11 1HB SER 11 -8.749 18.124 9.100 798 H SER 12 H SER 12 -7.558 16.380 6.178 799 HA SER 12 HA SER 12 -8.310 13.738 7.226 800 HG SER 12 HG SER 12 -8.444 15.246 4.108 801 HB2 SER 12 2HB SER 12 -6.839 13.124 5.026 802 HB3 SER 12 1HB SER 12 -8.597 13.280 5.017 803 H GLY 13 H GLY 13 -6.792 12.646 8.333 804 HA2 GLY 13 2HA GLY 13 -4.111 12.499 8.061 805 HA3 GLY 13 1HA GLY 13 -4.321 14.002 8.955 806 H ARG 14 H ARG 14 -3.039 12.774 10.578 807 HA ARG 14 HA ARG 14 -4.861 11.416 12.412 808 HE ARG 14 HE ARG 14 -5.494 7.828 14.704 809 HB2 ARG 14 2HB ARG 14 -3.489 9.765 10.942 810 HB3 ARG 14 1HB ARG 14 -2.124 10.266 11.929 811 HG2 ARG 14 2HG ARG 14 -3.041 8.228 12.804 812 HG3 ARG 14 1HG ARG 14 -3.356 9.543 13.940 813 HD2 ARG 14 2HD ARG 14 -5.628 9.703 13.254 814 HD3 ARG 14 1HD ARG 14 -5.352 8.636 11.878 815 HH11 ARG 14 1HH1 ARG 14 -5.481 7.040 11.294 816 HH12 ARG 14 2HH1 ARG 14 -5.881 5.364 11.530 817 HH21 ARG 14 2HH2 ARG 14 -6.189 4.565 13.651 818 HH22 ARG 14 1HH2 ARG 14 -6.055 5.620 15.024 819 H GLU 15 H GLU 15 -4.455 11.906 14.516 820 HA GLU 15 HA GLU 15 -2.563 14.059 14.957 821 HB2 GLU 15 2HB GLU 15 -3.636 14.301 17.144 822 HB3 GLU 15 1HB GLU 15 -4.830 14.270 15.860 823 HG2 GLU 15 2HG GLU 15 -4.137 11.892 17.572 824 HG3 GLU 15 1HG GLU 15 -5.459 13.006 17.909 825 H ASN 16 H ASN 16 -2.905 10.688 15.738 826 HA ASN 16 HA ASN 16 -0.857 10.689 17.757 827 HB2 ASN 16 2HB ASN 16 -2.291 8.464 16.309 828 HB3 ASN 16 1HB ASN 16 -1.020 8.167 17.490 829 HD21 ASN 16 2HD2 ASN 16 -4.487 8.124 18.983 830 HD22 ASN 16 1HD2 ASN 16 -3.822 7.416 17.550 831 H LEU 17 H LEU 17 -0.816 10.846 14.427 832 HA LEU 17 HA LEU 17 0.816 10.770 12.868 833 HG LEU 17 HG LEU 17 3.685 9.622 12.948 834 HB2 LEU 17 2HB LEU 17 2.287 11.715 14.615 835 HB3 LEU 17 1HB LEU 17 2.657 10.097 15.170 836 HD11 LEU 17 1HD1 LEU 17 3.269 12.576 12.519 837 HD12 LEU 17 2HD1 LEU 17 2.484 11.272 11.627 838 HD13 LEU 17 3HD1 LEU 17 4.225 11.510 11.490 839 HD21 LEU 17 3HD2 LEU 17 5.722 10.878 13.371 840 HD22 LEU 17 1HD2 LEU 17 5.033 10.286 14.884 841 HD23 LEU 17 2HD2 LEU 17 4.841 11.980 14.430 842 H TYR 18 H TYR 18 2.066 9.218 11.652 843 HA TYR 18 HA TYR 18 1.435 6.439 12.377 844 HD1 TYR 18 2HD TYR 18 -0.805 5.476 10.966 845 HD2 TYR 18 1HD TYR 18 2.810 5.302 8.730 846 HE1 TYR 18 2HE TYR 18 -1.329 3.162 10.313 847 HE2 TYR 18 1HE TYR 18 2.296 2.992 8.062 848 HH TYR 18 HH TYR 18 -0.758 1.574 8.521 849 HB2 TYR 18 2HB TYR 18 0.429 7.538 10.241 850 HB3 TYR 18 1HB TYR 18 2.051 7.377 9.580 851 H PHE 19 H PHE 19 3.062 4.876 11.997 852 HA PHE 19 HA PHE 19 5.149 4.013 11.998 853 HD1 PHE 19 2HD PHE 19 5.278 3.104 10.303 854 HD2 PHE 19 1HD PHE 19 6.101 6.887 8.542 855 HE1 PHE 19 2HE PHE 19 4.738 2.185 8.086 856 HE2 PHE 19 1HE PHE 19 5.568 5.975 6.322 857 HZ PHE 19 HZ PHE 19 4.887 3.622 6.090 858 HB2 PHE 19 2HB PHE 19 5.971 6.690 10.866 859 HB3 PHE 19 1HB PHE 19 7.088 5.358 11.143 860 H GLN 20 H GLN 20 6.355 3.607 13.669 861 HA GLN 20 HA GLN 20 7.490 3.763 15.617 862 HB2 GLN 20 2HB GLN 20 8.665 5.666 14.523 863 HB3 GLN 20 1HB GLN 20 7.467 6.756 15.200 864 HG2 GLN 20 2HG GLN 20 9.570 6.720 16.475 865 HG3 GLN 20 1HG GLN 20 8.174 6.232 17.437 866 HE21 GLN 20 2HE2 GLN 20 11.178 3.608 16.649 867 HE22 GLN 20 1HE2 GLN 20 11.078 5.129 15.831 868 H GLY 21 H GLY 21 5.407 6.677 15.674 869 HA2 GLY 21 2HA GLY 21 4.510 5.962 18.353 870 HA3 GLY 21 1HA GLY 21 4.106 7.429 17.472 871 H MET 22 H MET 22 3.753 4.048 16.529 872 HA MET 22 HA MET 22 0.897 4.575 16.058 873 HB2 MET 22 2HB MET 22 1.049 2.881 14.253 874 HB3 MET 22 1HB MET 22 2.115 4.250 13.968 875 HG2 MET 22 2HG MET 22 3.926 2.790 15.069 876 HG3 MET 22 1HG MET 22 2.811 1.459 14.781 877 HE1 MET 22 3HE MET 22 2.460 1.614 10.850 878 HE2 MET 22 1HE MET 22 1.476 2.540 11.985 879 HE3 MET 22 2HE MET 22 1.878 0.858 12.333 880 H THR 23 H THR 23 -0.509 3.449 17.103 881 HA THR 23 HA THR 23 0.323 1.007 18.474 882 HB THR 23 HB THR 23 -0.859 3.462 19.774 883 HG1 THR 23 1HG THR 23 1.542 2.050 20.399 884 HG21 THR 23 3HG2 THR 23 -0.330 0.750 20.960 885 HG22 THR 23 1HG2 THR 23 -1.913 1.471 20.670 886 HG23 THR 23 2HG2 THR 23 -0.821 2.189 21.854 887 H ASP 24 H ASP 24 -1.203 -0.507 18.563 888 HA ASP 24 HA ASP 24 -3.172 -1.608 18.533 889 HB2 ASP 24 2HB ASP 24 -3.974 -0.166 20.255 890 HB3 ASP 24 1HB ASP 24 -4.265 1.143 19.114 891 H THR 25 H THR 25 -4.190 1.437 17.004 892 HA THR 25 HA THR 25 -5.829 0.016 15.149 893 HB THR 25 HB THR 25 -5.127 2.925 14.908 894 HG1 THR 25 1HG THR 25 -6.463 1.596 16.994 895 HG21 THR 25 3HG2 THR 25 -6.622 1.989 13.222 896 HG22 THR 25 1HG2 THR 25 -7.504 3.098 14.272 897 HG23 THR 25 2HG2 THR 25 -7.675 1.355 14.487 898 H ALA 26 H ALA 26 -2.575 0.590 15.161 899 HA ALA 26 HA ALA 26 -1.876 1.473 12.640 900 HB1 ALA 26 3HB ALA 26 -0.473 -0.607 14.311 901 HB2 ALA 26 1HB ALA 26 -0.264 1.140 14.433 902 HB3 ALA 26 2HB ALA 26 0.242 0.291 12.971 903 H ALA 27 H ALA 27 -2.859 -1.753 13.661 904 HA ALA 27 HA ALA 27 -2.182 -3.054 11.212 905 HB1 ALA 27 3HB ALA 27 -4.106 -3.943 13.359 906 HB2 ALA 27 1HB ALA 27 -2.371 -4.257 13.347 907 HB3 ALA 27 2HB ALA 27 -3.402 -4.957 12.099 908 H GLU 28 H GLU 28 -4.940 -1.321 12.390 909 HA GLU 28 HA GLU 28 -6.756 -2.263 10.370 910 HB2 GLU 28 2HB GLU 28 -7.526 -1.507 12.601 911 HB3 GLU 28 1HB GLU 28 -6.973 0.116 12.219 912 HG2 GLU 28 2HG GLU 28 -8.547 0.088 10.268 913 HG3 GLU 28 1HG GLU 28 -9.204 -1.414 10.918 914 H ASP 29 H ASP 29 -4.834 0.636 10.969 915 HA ASP 29 HA ASP 29 -5.831 2.168 8.823 916 HB2 ASP 29 2HB ASP 29 -3.176 2.348 10.261 917 HB3 ASP 29 1HB ASP 29 -3.800 3.566 9.153 918 H VAL 30 H VAL 30 -3.112 -0.087 9.040 919 HA VAL 30 HA VAL 30 -2.216 0.425 6.371 920 HB VAL 30 HB VAL 30 -0.769 -0.545 8.160 921 HG11 VAL 30 1HG1 VAL 30 -2.320 -2.134 9.132 922 HG12 VAL 30 2HG1 VAL 30 -0.842 -2.943 8.609 923 HG13 VAL 30 3HG1 VAL 30 -2.311 -3.077 7.641 924 HG21 VAL 30 3HG2 VAL 30 0.393 -2.149 6.684 925 HG22 VAL 30 1HG2 VAL 30 -0.029 -0.635 5.885 926 HG23 VAL 30 2HG2 VAL 30 -0.987 -2.084 5.586 927 H ARG 31 H ARG 31 -4.458 -1.758 7.883 928 HA ARG 31 HA ARG 31 -4.946 -3.466 5.681 929 HE ARG 31 HE ARG 31 -8.879 -6.448 6.591 930 HB2 ARG 31 2HB ARG 31 -5.617 -3.934 8.040 931 HB3 ARG 31 1HB ARG 31 -6.841 -2.683 7.909 932 HG2 ARG 31 2HG ARG 31 -7.946 -3.970 6.128 933 HG3 ARG 31 1HG ARG 31 -6.740 -5.245 6.326 934 HD2 ARG 31 2HD ARG 31 -7.416 -5.448 8.696 935 HD3 ARG 31 1HD ARG 31 -8.682 -4.260 8.406 936 HH11 ARG 31 1HH1 ARG 31 -9.630 -5.403 9.850 937 HH12 ARG 31 2HH1 ARG 31 -10.852 -6.614 10.089 938 HH21 ARG 31 2HH2 ARG 31 -11.362 -8.088 8.430 939 HH22 ARG 31 1HH2 ARG 31 -10.517 -8.028 6.910 940 H LYS 32 H LYS 32 -6.122 -0.323 6.606 941 HA LYS 32 HA LYS 32 -8.386 -0.068 5.016 942 HB2 LYS 32 2HB LYS 32 -7.595 1.530 6.769 943 HB3 LYS 32 1HB LYS 32 -6.376 2.100 5.642 944 HG2 LYS 32 2HG LYS 32 -8.181 2.792 4.099 945 HG3 LYS 32 1HG LYS 32 -9.361 2.313 5.322 946 HD2 LYS 32 2HD LYS 32 -8.244 3.899 6.903 947 HD3 LYS 32 1HD LYS 32 -7.262 4.462 5.549 948 HE2 LYS 32 2HE LYS 32 -9.087 5.975 5.798 949 HE3 LYS 32 1HE LYS 32 -9.380 5.016 4.349 950 HZ1 LYS 32 3HZ LYS 32 -10.620 4.569 7.014 951 HZ2 LYS 32 1HZ LYS 32 -10.890 3.617 5.635 952 HZ3 LYS 32 2HZ LYS 32 -11.389 5.237 5.659 953 H ILE 33 H ILE 33 -5.044 0.909 4.225 954 HA ILE 33 HA ILE 33 -5.706 1.544 1.518 955 HB ILE 33 HB ILE 33 -3.267 1.732 1.154 956 HG12 ILE 33 2HG1 ILE 33 -3.048 0.932 4.066 957 HG13 ILE 33 1HG1 ILE 33 -2.552 -0.064 2.700 958 HG21 ILE 33 1HG2 ILE 33 -4.298 3.102 3.634 959 HG22 ILE 33 2HG2 ILE 33 -4.526 3.637 1.968 960 HG23 ILE 33 3HG2 ILE 33 -2.913 3.624 2.676 961 HD11 ILE 33 3HD1 ILE 33 -0.868 1.586 2.103 962 HD12 ILE 33 1HD1 ILE 33 -0.651 1.029 3.762 963 HD13 ILE 33 2HD1 ILE 33 -1.375 2.608 3.448 964 H ALA 34 H ALA 34 -4.498 -1.272 3.173 965 HA ALA 34 HA ALA 34 -3.612 -2.759 0.963 966 HB1 ALA 34 3HB ALA 34 -4.734 -3.783 3.567 967 HB2 ALA 34 1HB ALA 34 -3.057 -3.319 3.282 968 HB3 ALA 34 2HB ALA 34 -3.748 -4.695 2.424 969 H THR 35 H THR 35 -6.806 -2.185 2.233 970 HA THR 35 HA THR 35 -8.196 -4.374 1.256 971 HB THR 35 HB THR 35 -9.195 -1.523 1.466 972 HG1 THR 35 1HG THR 35 -8.306 -2.556 3.421 973 HG21 THR 35 3HG2 THR 35 -11.414 -2.502 1.663 974 HG22 THR 35 1HG2 THR 35 -10.740 -4.120 1.466 975 HG23 THR 35 2HG2 THR 35 -10.679 -2.971 0.129 976 H ALA 36 H ALA 36 -7.136 -1.483 -0.456 977 HA ALA 36 HA ALA 36 -8.734 -1.799 -2.758 978 HB1 ALA 36 3HB ALA 36 -7.560 0.290 -2.161 979 HB2 ALA 36 1HB ALA 36 -7.243 -0.220 -3.819 980 HB3 ALA 36 2HB ALA 36 -6.028 -0.481 -2.568 981 H LEU 37 H LEU 37 -5.498 -2.983 -1.949 982 HA LEU 37 HA LEU 37 -5.179 -4.210 -4.531 983 HG LEU 37 HG LEU 37 -4.048 -3.785 -1.081 984 HB2 LEU 37 2HB LEU 37 -3.059 -5.084 -3.571 985 HB3 LEU 37 1HB LEU 37 -3.202 -3.342 -3.558 986 HD11 LEU 37 1HD1 LEU 37 -2.820 -5.614 -0.039 987 HD12 LEU 37 2HD1 LEU 37 -2.222 -6.126 -1.617 988 HD13 LEU 37 3HD1 LEU 37 -3.946 -6.218 -1.254 989 HD21 LEU 37 3HD2 LEU 37 -1.143 -3.852 -1.892 990 HD22 LEU 37 1HD2 LEU 37 -1.785 -3.347 -0.328 991 HD23 LEU 37 2HD2 LEU 37 -2.142 -2.403 -1.775 992 H LEU 38 H LEU 38 -6.373 -5.125 -1.425 993 HA LEU 38 HA LEU 38 -6.273 -7.949 -1.850 994 HG LEU 38 HG LEU 38 -7.791 -8.365 1.494 995 HB2 LEU 38 2HB LEU 38 -6.533 -6.753 0.369 996 HB3 LEU 38 1HB LEU 38 -8.185 -6.408 -0.089 997 HD11 LEU 38 1HD1 LEU 38 -9.530 -9.742 0.481 998 HD12 LEU 38 2HD1 LEU 38 -9.321 -8.890 -1.049 999 HD13 LEU 38 3HD1 LEU 38 -9.920 -8.026 0.367 1000 HD21 LEU 38 3HD2 LEU 38 -5.879 -9.345 0.373 1001 HD22 LEU 38 1HD2 LEU 38 -6.855 -9.659 -1.064 1002 HD23 LEU 38 2HD2 LEU 38 -7.210 -10.500 0.446 1003 H LYS 39 H LYS 39 -8.565 -5.374 -2.509 1004 HA LYS 39 HA LYS 39 -10.810 -6.886 -3.191 1005 HB2 LYS 39 2HB LYS 39 -10.656 -4.383 -2.815 1006 HB3 LYS 39 1HB LYS 39 -10.030 -4.258 -4.453 1007 HG2 LYS 39 2HG LYS 39 -12.385 -3.758 -4.432 1008 HG3 LYS 39 1HG LYS 39 -12.104 -5.269 -5.299 1009 HD2 LYS 39 2HD LYS 39 -12.774 -6.545 -3.348 1010 HD3 LYS 39 1HD LYS 39 -12.977 -5.057 -2.422 1011 HE2 LYS 39 2HE LYS 39 -14.754 -4.347 -3.927 1012 HE3 LYS 39 1HE LYS 39 -14.540 -5.809 -4.890 1013 HZ1 LYS 39 3HZ LYS 39 -15.352 -5.750 -2.028 1014 HZ2 LYS 39 1HZ LYS 39 -15.210 -7.135 -3.000 1015 HZ3 LYS 39 2HZ LYS 39 -16.406 -5.979 -3.339 1016 H THR 40 H THR 40 -8.290 -5.550 -5.325 1017 HA THR 40 HA THR 40 -8.450 -7.830 -7.045 1018 HB THR 40 HB THR 40 -10.400 -6.608 -7.901 1019 HG1 THR 40 1HG THR 40 -8.259 -6.387 -9.772 1020 HG21 THR 40 3HG2 THR 40 -9.772 -4.332 -7.321 1021 HG22 THR 40 1HG2 THR 40 -10.116 -4.448 -9.047 1022 HG23 THR 40 2HG2 THR 40 -8.447 -4.383 -8.482 1023 H ALA 41 H ALA 41 -7.290 -4.540 -6.540 1024 HA ALA 41 HA ALA 41 -5.219 -3.628 -6.612 1025 HB1 ALA 41 3HB ALA 41 -3.245 -5.022 -6.633 1026 HB2 ALA 41 1HB ALA 41 -4.205 -6.414 -7.135 1027 HB3 ALA 41 2HB ALA 41 -4.457 -5.697 -5.542 1028 H ILE 42 H ILE 42 -5.225 -6.167 -9.126 1029 HA ILE 42 HA ILE 42 -3.903 -4.231 -10.910 1030 HB ILE 42 HB ILE 42 -3.867 -7.232 -11.232 1031 HG12 ILE 42 2HG1 ILE 42 -2.978 -6.777 -9.013 1032 HG13 ILE 42 1HG1 ILE 42 -1.664 -7.216 -10.095 1033 HG21 ILE 42 1HG2 ILE 42 -2.218 -4.971 -12.312 1034 HG22 ILE 42 2HG2 ILE 42 -3.111 -6.209 -13.200 1035 HG23 ILE 42 3HG2 ILE 42 -1.643 -6.636 -12.327 1036 HD11 ILE 42 3HD1 ILE 42 -1.136 -4.804 -10.340 1037 HD12 ILE 42 1HD1 ILE 42 -0.954 -5.415 -8.695 1038 HD13 ILE 42 2HD1 ILE 42 -2.369 -4.459 -9.131 1039 H GLU 43 H GLU 43 -4.298 -4.949 -13.348 1040 HA GLU 43 HA GLU 43 -7.217 -4.947 -13.655 1041 HB2 GLU 43 2HB GLU 43 -6.749 -3.924 -15.885 1042 HB3 GLU 43 1HB GLU 43 -6.201 -2.949 -14.531 1043 HG2 GLU 43 2HG GLU 43 -4.228 -4.802 -15.716 1044 HG3 GLU 43 1HG GLU 43 -4.717 -3.425 -16.699 1045 H ILE 44 H ILE 44 -8.113 -6.024 -15.548 1046 HA ILE 44 HA ILE 44 -6.600 -8.425 -16.261 1047 HB ILE 44 HB ILE 44 -8.927 -9.436 -16.592 1048 HG12 ILE 44 2HG1 ILE 44 -10.510 -8.392 -14.755 1049 HG13 ILE 44 1HG1 ILE 44 -9.619 -6.923 -15.133 1050 HG21 ILE 44 1HG2 ILE 44 -7.885 -8.817 -13.845 1051 HG22 ILE 44 2HG2 ILE 44 -7.463 -10.196 -14.859 1052 HG23 ILE 44 3HG2 ILE 44 -9.092 -10.050 -14.200 1053 HD11 ILE 44 3HD1 ILE 44 -10.299 -7.086 -17.455 1054 HD12 ILE 44 1HD1 ILE 44 -11.703 -7.084 -16.386 1055 HD13 ILE 44 2HD1 ILE 44 -11.149 -8.594 -17.114 1056 H VAL 45 H VAL 45 -6.571 -9.078 -18.363 1057 HA VAL 45 HA VAL 45 -8.006 -7.385 -20.296 1058 HB VAL 45 HB VAL 45 -6.315 -8.226 -21.969 1059 HG11 VAL 45 1HG1 VAL 45 -4.574 -6.652 -21.270 1060 HG12 VAL 45 2HG1 VAL 45 -5.263 -6.612 -19.648 1061 HG13 VAL 45 3HG1 VAL 45 -6.186 -5.985 -21.012 1062 HG21 VAL 45 3HG2 VAL 45 -4.873 -9.124 -19.482 1063 HG22 VAL 45 1HG2 VAL 45 -4.188 -9.074 -21.106 1064 HG23 VAL 45 2HG2 VAL 45 -5.521 -10.173 -20.744 1065 H SER 46 H SER 46 -9.475 -8.315 -21.587 1066 HA SER 46 HA SER 46 -10.149 -11.070 -20.954 1067 HG SER 46 HG SER 46 -11.961 -8.160 -20.653 1068 HB2 SER 46 2HB SER 46 -11.711 -9.036 -22.556 1069 HB3 SER 46 1HB SER 46 -12.317 -10.566 -21.923 1070 H GLU 47 H GLU 47 -10.216 -12.736 -22.347 1071 HA GLU 47 HA GLU 47 -8.888 -12.365 -24.931 1072 HB2 GLU 47 2HB GLU 47 -9.621 -14.809 -23.338 1073 HB3 GLU 47 1HB GLU 47 -8.879 -14.877 -24.921 1074 HG2 GLU 47 2HG GLU 47 -6.940 -13.643 -24.032 1075 HG3 GLU 47 1HG GLU 47 -7.685 -13.684 -22.433 1076 H GLU 48 H GLU 48 -10.369 -11.692 -26.423 1077 HA GLU 48 HA GLU 48 -12.097 -11.757 -27.892 1078 HB2 GLU 48 2HB GLU 48 -10.973 -13.836 -28.536 1079 HB3 GLU 48 1HB GLU 48 -11.911 -14.723 -27.346 1080 HG2 GLU 48 2HG GLU 48 -12.810 -15.094 -29.546 1081 HG3 GLU 48 1HG GLU 48 -13.965 -14.181 -28.577 1082 H ASP 49 H ASP 49 -13.276 -14.549 -26.137 1083 HA ASP 49 HA ASP 49 -15.383 -13.009 -24.848 1084 HB2 ASP 49 2HB ASP 49 -16.167 -13.621 -27.173 1085 HB3 ASP 49 1HB ASP 49 -16.069 -15.307 -26.687 1086 H GLY 50 H GLY 50 -13.025 -15.028 -24.485 1087 HA2 GLY 50 2HA GLY 50 -14.374 -17.221 -23.114 1088 HA3 GLY 50 1HA GLY 50 -12.647 -17.085 -23.421 1089 H GLY 51 H GLY 51 -11.333 -15.989 -21.972 1090 HA2 GLY 51 2HA GLY 51 -12.684 -15.171 -19.468 1091 HA3 GLY 51 1HA GLY 51 -11.236 -16.170 -19.464 1092 H ALA 52 H ALA 52 -10.221 -14.576 -18.184 1093 HA ALA 52 HA ALA 52 -8.990 -12.501 -19.799 1094 HB1 ALA 52 3HB ALA 52 -10.339 -11.914 -17.163 1095 HB2 ALA 52 1HB ALA 52 -10.870 -11.357 -18.750 1096 HB3 ALA 52 2HB ALA 52 -9.342 -10.784 -18.079 1097 H HIS 53 H HIS 53 -7.003 -11.727 -18.912 1098 HA HIS 53 HA HIS 53 -5.865 -13.548 -16.888 1099 HD1 HIS 53 1HD HIS 53 -3.807 -15.553 -17.830 1100 HD2 HIS 53 2HD HIS 53 -5.545 -13.724 -21.139 1101 HE1 HIS 53 1HE HIS 53 -4.222 -17.392 -19.486 1102 HE2 HIS 53 2HE HIS 53 -5.473 -16.296 -21.377 1103 HB2 HIS 53 2HB HIS 53 -4.502 -12.099 -19.163 1104 HB3 HIS 53 1HB HIS 53 -3.637 -12.928 -17.876 1105 H ASN 54 H ASN 54 -5.479 -12.642 -14.983 1106 HA ASN 54 HA ASN 54 -5.087 -9.755 -14.784 1107 HB2 ASN 54 2HB ASN 54 -6.533 -10.956 -13.131 1108 HB3 ASN 54 1HB ASN 54 -5.118 -11.853 -12.595 1109 HD21 ASN 54 2HD2 ASN 54 -5.885 -8.832 -10.466 1110 HD22 ASN 54 1HD2 ASN 54 -6.889 -10.071 -11.129 1111 H GLN 55 H GLN 55 -3.095 -8.974 -15.061 1112 HA GLN 55 HA GLN 55 -0.838 -10.755 -14.415 1113 HB2 GLN 55 2HB GLN 55 0.441 -9.335 -16.109 1114 HB3 GLN 55 1HB GLN 55 -0.747 -10.459 -16.747 1115 HG2 GLN 55 2HG GLN 55 -2.328 -8.661 -17.079 1116 HG3 GLN 55 1HG GLN 55 -1.216 -7.514 -16.336 1117 HE21 GLN 55 2HE2 GLN 55 -0.740 -8.694 -20.191 1118 HE22 GLN 55 1HE2 GLN 55 -1.857 -9.491 -19.133 1119 H CYS 56 H CYS 56 -0.167 -10.168 -12.478 1120 HA CYS 56 HA CYS 56 -0.760 -7.792 -11.215 1121 HG CYS 56 HG CYS 56 1.614 -11.135 -11.520 1122 HB2 CYS 56 2HB CYS 56 0.992 -8.409 -9.559 1123 HB3 CYS 56 1HB CYS 56 -0.130 -9.711 -9.928 1124 H LYS 57 H LYS 57 -0.069 -5.859 -11.275 1125 HA LYS 57 HA LYS 57 1.884 -5.028 -13.205 1126 HB2 LYS 57 2HB LYS 57 -0.376 -4.005 -12.740 1127 HB3 LYS 57 1HB LYS 57 0.266 -3.415 -11.222 1128 HG2 LYS 57 2HG LYS 57 1.608 -1.837 -12.261 1129 HG3 LYS 57 1HG LYS 57 1.564 -2.679 -13.814 1130 HD2 LYS 57 2HD LYS 57 0.157 -0.605 -13.727 1131 HD3 LYS 57 1HD LYS 57 -0.725 -2.068 -14.166 1132 HE2 LYS 57 2HE LYS 57 -1.288 -2.232 -11.663 1133 HE3 LYS 57 1HE LYS 57 -0.761 -0.553 -11.574 1134 HZ1 LYS 57 3HZ LYS 57 -2.422 0.021 -13.227 1135 HZ2 LYS 57 1HZ LYS 57 -3.158 -0.727 -11.895 1136 HZ3 LYS 57 2HZ LYS 57 -2.917 -1.598 -13.335 1137 H LEU 58 H LEU 58 3.185 -6.502 -11.387 1138 HA LEU 58 HA LEU 58 4.940 -4.690 -9.992 1139 HG LEU 58 HG LEU 58 5.586 -5.534 -7.439 1140 HB2 LEU 58 2HB LEU 58 2.816 -5.180 -8.561 1141 HB3 LEU 58 1HB LEU 58 3.553 -6.750 -8.311 1142 HD11 LEU 58 1HD1 LEU 58 3.649 -3.228 -7.522 1143 HD12 LEU 58 2HD1 LEU 58 5.172 -3.363 -8.402 1144 HD13 LEU 58 3HD1 LEU 58 5.179 -3.229 -6.642 1145 HD21 LEU 58 3HD2 LEU 58 2.957 -5.221 -5.999 1146 HD22 LEU 58 1HD2 LEU 58 4.548 -5.117 -5.247 1147 HD23 LEU 58 2HD2 LEU 58 4.009 -6.635 -5.967 1148 H CYS 59 H CYS 59 3.894 -8.093 -9.825 1149 HA CYS 59 HA CYS 59 6.662 -8.932 -9.581 1150 HG CYS 59 HG CYS 59 7.196 -11.606 -9.466 1151 HB2 CYS 59 2HB CYS 59 5.002 -9.848 -8.034 1152 HB3 CYS 59 1HB CYS 59 4.081 -10.502 -9.382 1153 H GLY 60 H GLY 60 3.953 -9.301 -11.833 1154 HA2 GLY 60 2HA GLY 60 4.373 -9.499 -14.189 1155 HA3 GLY 60 1HA GLY 60 5.881 -10.320 -13.816 1156 H ALA 61 H ALA 61 3.720 -11.587 -11.732 1157 HA ALA 61 HA ALA 61 3.330 -13.966 -13.344 1158 HB1 ALA 61 3HB ALA 61 2.465 -14.972 -11.290 1159 HB2 ALA 61 1HB ALA 61 2.509 -13.398 -10.496 1160 HB3 ALA 61 2HB ALA 61 4.012 -14.175 -10.993 1161 H SER 62 H SER 62 1.296 -14.883 -13.835 1162 HA SER 62 HA SER 62 -0.891 -12.908 -13.852 1163 HG SER 62 HG SER 62 1.057 -13.051 -15.700 1164 HB2 SER 62 2HB SER 62 -0.354 -15.087 -15.886 1165 HB3 SER 62 1HB SER 62 -1.614 -13.856 -15.974 1166 H VAL 63 H VAL 63 -2.963 -13.584 -13.412 1167 HA VAL 63 HA VAL 63 -3.337 -16.403 -12.652 1168 HB VAL 63 HB VAL 63 -3.074 -15.109 -10.584 1169 HG11 VAL 63 1HG1 VAL 63 -5.436 -13.490 -11.517 1170 HG12 VAL 63 2HG1 VAL 63 -3.771 -12.923 -11.406 1171 HG13 VAL 63 3HG1 VAL 63 -4.650 -13.369 -9.942 1172 HG21 VAL 63 3HG2 VAL 63 -5.161 -15.718 -9.466 1173 HG22 VAL 63 1HG2 VAL 63 -4.599 -16.996 -10.540 1174 HG23 VAL 63 2HG2 VAL 63 -5.932 -15.953 -11.035 1175 HA PRO 64 HA PRO 64 -6.745 -16.168 -15.479 1176 HB2 PRO 64 1HB PRO 64 -6.844 -18.444 -15.538 1177 HB3 PRO 64 2HB PRO 64 -8.225 -18.244 -14.453 1178 HG2 PRO 64 2HG PRO 64 -6.971 -18.680 -12.560 1179 HG3 PRO 64 1HG PRO 64 -6.100 -19.690 -13.731 1180 HD2 PRO 64 2HD PRO 64 -4.841 -17.820 -12.273 1181 HD3 PRO 64 1HD PRO 64 -4.369 -18.167 -13.947 1182 H TRP 65 H TRP 65 -8.612 -15.152 -15.584 1183 HA TRP 65 HA TRP 65 -9.701 -13.678 -13.498 1184 HD1 TRP 65 HD TRP 65 -11.051 -11.632 -13.527 1185 HE1 TRP 65 1HE TRP 65 -13.397 -10.565 -13.576 1186 HE3 TRP 65 3HE TRP 65 -13.163 -14.485 -17.198 1187 HZ2 TRP 65 2HZ TRP 65 -15.811 -10.879 -14.994 1188 HZ3 TRP 65 3HZ TRP 65 -15.492 -14.034 -17.852 1189 HH2 TRP 65 HH TRP 65 -16.789 -12.265 -16.770 1190 HB2 TRP 65 2HB TRP 65 -9.953 -13.203 -15.918 1191 HB3 TRP 65 1HB TRP 65 -11.037 -14.578 -16.059 1192 H LEU 66 H LEU 66 -11.463 -13.893 -12.202 1193 HA LEU 66 HA LEU 66 -13.340 -14.722 -11.234 1194 HG LEU 66 HG LEU 66 -13.934 -14.819 -14.175 1195 HB2 LEU 66 2HB LEU 66 -13.085 -16.942 -13.247 1196 HB3 LEU 66 1HB LEU 66 -14.337 -16.896 -12.022 1197 HD11 LEU 66 1HD1 LEU 66 -16.002 -16.992 -13.891 1198 HD12 LEU 66 2HD1 LEU 66 -14.713 -16.925 -15.095 1199 HD13 LEU 66 3HD1 LEU 66 -16.005 -15.724 -15.116 1200 HD21 LEU 66 3HD2 LEU 66 -16.054 -13.915 -13.427 1201 HD22 LEU 66 1HD2 LEU 66 -14.893 -13.917 -12.099 1202 HD23 LEU 66 2HD2 LEU 66 -16.160 -15.144 -12.166 1203 H GLN 67 H GLN 67 -10.393 -16.488 -11.453 1204 HA GLN 67 HA GLN 67 -11.229 -18.171 -9.197 1205 HB2 GLN 67 2HB GLN 67 -10.282 -19.354 -11.137 1206 HB3 GLN 67 1HB GLN 67 -8.787 -18.446 -10.951 1207 HG2 GLN 67 2HG GLN 67 -8.409 -19.451 -8.783 1208 HG3 GLN 67 1HG GLN 67 -9.945 -20.307 -8.883 1209 HE21 GLN 67 2HE2 GLN 67 -7.365 -21.540 -11.766 1210 HE22 GLN 67 1HE2 GLN 67 -7.842 -19.884 -11.616 1211 H THR 68 H THR 68 -11.069 -16.697 -7.556 1212 HA THR 68 HA THR 68 -10.093 -15.800 -5.729 1213 HB THR 68 HB THR 68 -7.536 -17.126 -6.645 1214 HG1 THR 68 1HG THR 68 -9.822 -18.290 -6.128 1215 HG21 THR 68 3HG2 THR 68 -7.045 -17.201 -4.232 1216 HG22 THR 68 1HG2 THR 68 -8.535 -16.316 -3.912 1217 HG23 THR 68 2HG2 THR 68 -7.228 -15.546 -4.812 1218 H GLY 69 H GLY 69 -7.251 -15.671 -7.879 1219 HA2 GLY 69 2HA GLY 69 -6.285 -13.797 -8.879 1220 HA3 GLY 69 1HA GLY 69 -7.478 -12.781 -8.087 1221 H ASP 70 H ASP 70 -6.509 -14.581 -5.634 1222 HA ASP 70 HA ASP 70 -4.505 -12.594 -4.818 1223 HB2 ASP 70 2HB ASP 70 -6.642 -12.942 -3.486 1224 HB3 ASP 70 1HB ASP 70 -6.004 -14.519 -3.035 1225 H GLU 71 H GLU 71 -4.639 -15.675 -5.994 1226 HA GLU 71 HA GLU 71 -2.921 -17.047 -4.179 1227 HB2 GLU 71 2HB GLU 71 -2.873 -18.800 -5.951 1228 HB3 GLU 71 1HB GLU 71 -4.490 -18.324 -5.451 1229 HG2 GLU 71 2HG GLU 71 -4.678 -16.908 -7.442 1230 HG3 GLU 71 1HG GLU 71 -3.067 -17.421 -7.945 1231 H ILE 72 H ILE 72 -2.152 -14.573 -6.127 1232 HA ILE 72 HA ILE 72 0.297 -15.597 -7.244 1233 HB ILE 72 HB ILE 72 -0.682 -12.746 -7.032 1234 HG12 ILE 72 2HG1 ILE 72 -2.133 -14.149 -8.418 1235 HG13 ILE 72 1HG1 ILE 72 -1.237 -13.000 -9.410 1236 HG21 ILE 72 1HG2 ILE 72 1.591 -13.920 -8.630 1237 HG22 ILE 72 2HG2 ILE 72 1.741 -12.844 -7.241 1238 HG23 ILE 72 3HG2 ILE 72 1.016 -12.255 -8.738 1239 HD11 ILE 72 3HD1 ILE 72 -0.554 -15.916 -9.056 1240 HD12 ILE 72 1HD1 ILE 72 0.303 -14.760 -10.076 1241 HD13 ILE 72 2HD1 ILE 72 -1.363 -15.198 -10.451 1242 H LYS 73 H LYS 73 1.553 -16.316 -5.579 1243 HA LYS 73 HA LYS 73 2.651 -14.212 -3.831 1244 HB2 LYS 73 2HB LYS 73 2.232 -17.146 -3.252 1245 HB3 LYS 73 1HB LYS 73 3.335 -16.152 -2.315 1246 HG2 LYS 73 2HG LYS 73 1.409 -16.147 -1.041 1247 HG3 LYS 73 1HG LYS 73 1.300 -14.628 -1.929 1248 HD2 LYS 73 2HD LYS 73 -0.271 -15.551 -3.463 1249 HD3 LYS 73 1HD LYS 73 -0.027 -17.177 -2.824 1250 HE2 LYS 73 2HE LYS 73 -2.088 -16.360 -1.936 1251 HE3 LYS 73 1HE LYS 73 -0.909 -16.347 -0.626 1252 HZ1 LYS 73 3HZ LYS 73 -2.102 -14.309 -0.540 1253 HZ2 LYS 73 1HZ LYS 73 -1.888 -14.030 -2.198 1254 HZ3 LYS 73 2HZ LYS 73 -0.565 -13.943 -1.147 1255 H HIS 74 H HIS 74 3.447 -14.858 -6.504 1256 HA HIS 74 HA HIS 74 5.673 -16.585 -6.581 1257 HD1 HIS 74 1HD HIS 74 6.870 -14.249 -10.310 1258 HD2 HIS 74 2HD HIS 74 6.582 -17.972 -8.467 1259 HE1 HIS 74 1HE HIS 74 8.582 -15.702 -11.437 1260 HE2 HIS 74 2HE HIS 74 8.422 -17.940 -10.287 1261 HB2 HIS 74 2HB HIS 74 4.320 -15.736 -8.560 1262 HB3 HIS 74 1HB HIS 74 5.237 -14.240 -8.424 1263 H ALA 75 H ALA 75 5.288 -13.525 -5.275 1264 HA ALA 75 HA ALA 75 8.033 -13.487 -4.406 1265 HB1 ALA 75 3HB ALA 75 6.938 -11.169 -6.002 1266 HB2 ALA 75 1HB ALA 75 8.224 -12.265 -6.507 1267 HB3 ALA 75 2HB ALA 75 8.475 -11.184 -5.134 1268 H ASP 76 H ASP 76 7.407 -13.601 -2.307 1269 HA ASP 76 HA ASP 76 5.037 -12.438 -1.308 1270 HB2 ASP 76 2HB ASP 76 7.419 -13.497 0.225 1271 HB3 ASP 76 1HB ASP 76 5.808 -13.225 0.866 1272 H ASP 77 H ASP 77 8.234 -11.226 -1.667 1273 HA ASP 77 HA ASP 77 8.116 -9.330 0.487 1274 HB2 ASP 77 2HB ASP 77 10.263 -10.195 -0.194 1275 HB3 ASP 77 1HB ASP 77 10.019 -9.631 -1.842 1276 H CYS 78 H CYS 78 7.065 -9.358 -2.786 1277 HA CYS 78 HA CYS 78 7.377 -6.627 -3.401 1278 HG CYS 78 HG CYS 78 8.678 -8.314 -4.881 1279 HB2 CYS 78 2HB CYS 78 5.505 -8.710 -4.518 1280 HB3 CYS 78 1HB CYS 78 5.686 -7.092 -5.191 1281 HA PRO 79 HA PRO 79 4.705 -4.164 -0.995 1282 HB2 PRO 79 1HB PRO 79 4.478 -2.296 -2.240 1283 HB3 PRO 79 2HB PRO 79 3.535 -3.132 -3.472 1284 HG2 PRO 79 2HG PRO 79 5.358 -3.382 -4.774 1285 HG3 PRO 79 1HG PRO 79 6.260 -2.388 -3.622 1286 HD2 PRO 79 2HD PRO 79 6.832 -5.011 -4.155 1287 HD3 PRO 79 1HD PRO 79 7.207 -4.213 -2.612 1288 H VAL 80 H VAL 80 2.912 -5.144 -3.944 1289 HA VAL 80 HA VAL 80 0.405 -5.030 -2.667 1290 HB VAL 80 HB VAL 80 1.184 -6.522 -5.179 1291 HG11 VAL 80 1HG1 VAL 80 -0.906 -7.387 -4.306 1292 HG12 VAL 80 2HG1 VAL 80 -1.202 -6.426 -5.754 1293 HG13 VAL 80 3HG1 VAL 80 -1.550 -5.752 -4.162 1294 HG21 VAL 80 3HG2 VAL 80 -0.016 -3.776 -4.808 1295 HG22 VAL 80 1HG2 VAL 80 0.278 -4.572 -6.355 1296 HG23 VAL 80 2HG2 VAL 80 1.634 -4.132 -5.317 1297 H VAL 81 H VAL 81 2.651 -7.695 -3.192 1298 HA VAL 81 HA VAL 81 0.826 -9.733 -2.369 1299 HB VAL 81 HB VAL 81 3.839 -9.895 -2.541 1300 HG11 VAL 81 1HG1 VAL 81 1.728 -12.047 -2.621 1301 HG12 VAL 81 2HG1 VAL 81 2.818 -11.717 -1.274 1302 HG13 VAL 81 3HG1 VAL 81 3.465 -12.293 -2.812 1303 HG21 VAL 81 3HG2 VAL 81 1.746 -10.464 -4.633 1304 HG22 VAL 81 1HG2 VAL 81 3.463 -10.834 -4.784 1305 HG23 VAL 81 2HG2 VAL 81 2.929 -9.158 -4.661 1306 H ILE 82 H ILE 82 3.476 -7.976 -0.783 1307 HA ILE 82 HA ILE 82 3.371 -9.480 1.613 1308 HB ILE 82 HB ILE 82 5.314 -8.087 0.985 1309 HG12 ILE 82 2HG1 ILE 82 5.744 -7.153 3.251 1310 HG13 ILE 82 1HG1 ILE 82 4.055 -7.458 3.652 1311 HG21 ILE 82 1HG2 ILE 82 3.599 -5.754 1.770 1312 HG22 ILE 82 2HG2 ILE 82 4.179 -6.122 0.145 1313 HG23 ILE 82 3HG2 ILE 82 5.326 -5.699 1.417 1314 HD11 ILE 82 3HD1 ILE 82 6.134 -9.512 2.937 1315 HD12 ILE 82 1HD1 ILE 82 4.433 -9.855 3.258 1316 HD13 ILE 82 2HD1 ILE 82 5.458 -9.201 4.536 1317 H ALA 83 H ALA 83 1.817 -6.479 0.587 1318 HA ALA 83 HA ALA 83 0.530 -5.839 2.991 1319 HB1 ALA 83 3HB ALA 83 -0.974 -4.492 1.654 1320 HB2 ALA 83 1HB ALA 83 -0.474 -5.344 0.194 1321 HB3 ALA 83 2HB ALA 83 0.680 -4.328 1.060 1322 H LYS 84 H LYS 84 -0.459 -7.980 0.357 1323 HA LYS 84 HA LYS 84 -3.028 -8.631 1.267 1324 HB2 LYS 84 2HB LYS 84 -1.010 -10.180 -0.344 1325 HB3 LYS 84 1HB LYS 84 -2.599 -10.827 0.031 1326 HG2 LYS 84 2HG LYS 84 -3.668 -9.026 -1.155 1327 HG3 LYS 84 1HG LYS 84 -2.107 -8.250 -1.441 1328 HD2 LYS 84 2HD LYS 84 -1.398 -9.998 -2.876 1329 HD3 LYS 84 1HD LYS 84 -2.742 -11.033 -2.391 1330 HE2 LYS 84 2HE LYS 84 -2.950 -8.456 -3.949 1331 HE3 LYS 84 1HE LYS 84 -3.114 -10.083 -4.611 1332 HZ1 LYS 84 3HZ LYS 84 -5.288 -9.337 -4.278 1333 HZ2 LYS 84 1HZ LYS 84 -4.935 -8.664 -2.767 1334 HZ3 LYS 84 2HZ LYS 84 -4.997 -10.347 -2.944 1335 H GLN 85 H GLN 85 0.126 -9.824 2.190 1336 HA GLN 85 HA GLN 85 -0.878 -11.933 3.846 1337 HB2 GLN 85 2HB GLN 85 1.854 -10.673 3.583 1338 HB3 GLN 85 1HB GLN 85 1.500 -12.087 4.556 1339 HG2 GLN 85 2HG GLN 85 0.944 -13.376 2.647 1340 HG3 GLN 85 1HG GLN 85 0.974 -11.952 1.607 1341 HE21 GLN 85 2HE2 GLN 85 4.424 -11.924 1.180 1342 HE22 GLN 85 1HE2 GLN 85 2.936 -11.060 1.024 1343 H ILE 86 H ILE 86 0.144 -8.607 4.266 1344 HA ILE 86 HA ILE 86 0.324 -8.548 7.063 1345 HB ILE 86 HB ILE 86 -0.385 -6.353 5.116 1346 HG12 ILE 86 2HG1 ILE 86 2.186 -7.020 6.567 1347 HG13 ILE 86 1HG1 ILE 86 1.865 -7.317 4.862 1348 HG21 ILE 86 1HG2 ILE 86 0.104 -4.767 6.900 1349 HG22 ILE 86 2HG2 ILE 86 0.343 -6.099 8.031 1350 HG23 ILE 86 3HG2 ILE 86 -1.252 -5.807 7.337 1351 HD11 ILE 86 3HD1 ILE 86 3.254 -5.334 5.257 1352 HD12 ILE 86 1HD1 ILE 86 1.925 -4.601 6.154 1353 HD13 ILE 86 2HD1 ILE 86 1.743 -4.951 4.434 1354 H LEU 87 H LEU 87 -2.432 -7.841 4.926 1355 HA LEU 87 HA LEU 87 -4.189 -7.227 7.085 1356 HG LEU 87 HG LEU 87 -3.751 -8.272 3.576 1357 HB2 LEU 87 2HB LEU 87 -5.967 -7.305 5.355 1358 HB3 LEU 87 1HB LEU 87 -4.629 -6.250 4.959 1359 HD11 LEU 87 1HD1 LEU 87 -5.512 -9.687 2.661 1360 HD12 LEU 87 2HD1 LEU 87 -6.681 -8.953 3.759 1361 HD13 LEU 87 3HD1 LEU 87 -5.350 -9.913 4.403 1362 HD21 LEU 87 3HD2 LEU 87 -6.152 -6.663 2.721 1363 HD22 LEU 87 1HD2 LEU 87 -5.046 -7.513 1.639 1364 HD23 LEU 87 2HD2 LEU 87 -4.463 -6.164 2.615 1365 H SER 88 H SER 88 -2.910 -10.085 6.101 1366 HA SER 88 HA SER 88 -5.233 -11.661 6.936 1367 HG SER 88 HG SER 88 -3.891 -14.473 5.223 1368 HB2 SER 88 2HB SER 88 -4.233 -12.269 4.765 1369 HB3 SER 88 1HB SER 88 -2.679 -12.534 5.553 1370 H SER 89 H SER 89 -1.693 -11.860 7.274 1371 HA SER 89 HA SER 89 -0.318 -12.513 8.931 1372 HG SER 89 HG SER 89 0.257 -12.160 11.048 1373 HB2 SER 89 2HB SER 89 -1.441 -10.618 10.148 1374 HB3 SER 89 1HB SER 89 -2.530 -11.803 10.869 1375 H ARG 90 H ARG 90 -3.451 -13.490 10.306 1376 HA ARG 90 HA ARG 90 -3.133 -16.226 9.656 1377 HE ARG 90 HE ARG 90 -0.241 -17.441 11.648 1378 HB2 ARG 90 2HB ARG 90 -1.445 -16.118 11.447 1379 HB3 ARG 90 1HB ARG 90 -2.654 -15.484 12.553 1380 HG2 ARG 90 2HG ARG 90 -3.763 -17.519 12.702 1381 HG3 ARG 90 1HG ARG 90 -3.044 -18.128 11.208 1382 HD2 ARG 90 2HD ARG 90 -1.586 -17.615 13.798 1383 HD3 ARG 90 1HD ARG 90 -2.052 -19.198 13.171 1384 HH11 ARG 90 1HH1 ARG 90 -0.831 -20.487 13.288 1385 HH12 ARG 90 2HH1 ARG 90 0.568 -21.255 12.601 1386 HH21 ARG 90 2HH2 ARG 90 1.913 -20.127 11.154 1387 HH22 ARG 90 1HH2 ARG 90 1.573 -18.455 10.760 1388 HA PRO 91 HA PRO 91 -7.395 -15.011 10.736 1389 HB2 PRO 91 1HB PRO 91 -7.513 -13.970 8.655 1390 HB3 PRO 91 2HB PRO 91 -8.520 -15.392 8.359 1391 HG2 PRO 91 2HG PRO 91 -6.866 -16.473 7.171 1392 HG3 PRO 91 1HG PRO 91 -6.378 -14.805 6.829 1393 HD2 PRO 91 2HD PRO 91 -4.836 -16.750 8.154 1394 HD3 PRO 91 1HD PRO 91 -4.510 -15.008 8.102 1395 H LYS 92 H LYS 92 -9.467 -16.410 9.607 1396 HA LYS 92 HA LYS 92 -8.936 -19.145 10.535 1397 HB2 LYS 92 2HB LYS 92 -11.611 -17.823 10.047 1398 HB3 LYS 92 1HB LYS 92 -11.323 -19.356 10.856 1399 HG2 LYS 92 2HG LYS 92 -10.269 -18.240 12.706 1400 HG3 LYS 92 1HG LYS 92 -10.376 -16.687 11.875 1401 HD2 LYS 92 2HD LYS 92 -12.700 -18.384 12.796 1402 HD3 LYS 92 1HD LYS 92 -12.136 -16.892 13.551 1403 HE2 LYS 92 2HE LYS 92 -13.214 -17.145 10.746 1404 HE3 LYS 92 1HE LYS 92 -14.105 -16.522 12.132 1405 HZ1 LYS 92 3HZ LYS 92 -12.547 -14.705 12.305 1406 HZ2 LYS 92 1HZ LYS 92 -13.192 -14.751 10.737 1407 HZ3 LYS 92 2HZ LYS 92 -11.623 -15.317 11.023 1408 H LEU 93 H LEU 93 -8.035 -20.027 8.661 1409 HA LEU 93 HA LEU 93 -9.824 -20.846 6.609 1410 HG LEU 93 HG LEU 93 -10.346 -19.825 4.428 1411 HB2 LEU 93 2HB LEU 93 -9.201 -18.346 6.111 1412 HB3 LEU 93 1HB LEU 93 -7.674 -19.018 5.581 1413 HD11 LEU 93 1HD1 LEU 93 -8.325 -17.839 3.401 1414 HD12 LEU 93 2HD1 LEU 93 -9.943 -17.471 3.997 1415 HD13 LEU 93 3HD1 LEU 93 -9.740 -18.413 2.519 1416 HD21 LEU 93 3HD2 LEU 93 -7.517 -20.276 3.478 1417 HD22 LEU 93 1HD2 LEU 93 -8.978 -20.710 2.592 1418 HD23 LEU 93 2HD2 LEU 93 -8.611 -21.501 4.123 1419 H HIS 94 H HIS 94 -6.397 -19.939 6.464 1420 HA HIS 94 HA HIS 94 -5.664 -22.781 6.400 1421 HD1 HIS 94 1HD HIS 94 -2.292 -21.597 3.956 1422 HD2 HIS 94 2HD HIS 94 -5.121 -24.641 4.132 1423 HE1 HIS 94 1HE HIS 94 -1.102 -23.677 3.192 1424 HE2 HIS 94 2HE HIS 94 -2.904 -25.435 3.061 1425 HB2 HIS 94 2HB HIS 94 -5.909 -21.816 4.065 1426 HB3 HIS 94 1HB HIS 94 -4.577 -20.737 4.449 1427 H ALA 95 H ALA 95 -4.373 -22.992 8.111 1428 HA ALA 95 HA ALA 95 -2.641 -20.733 8.847 1429 HB1 ALA 95 3HB ALA 95 -4.233 -21.441 10.564 1430 HB2 ALA 95 1HB ALA 95 -2.569 -21.719 11.079 1431 HB3 ALA 95 2HB ALA 95 -3.556 -23.068 10.521 1432 H VAL 96 H VAL 96 -0.539 -21.338 9.838 1433 HA VAL 96 HA VAL 96 0.559 -23.851 8.845 1434 HB VAL 96 HB VAL 96 1.242 -22.367 7.119 1435 HG11 VAL 96 1HG1 VAL 96 2.174 -20.463 9.263 1436 HG12 VAL 96 2HG1 VAL 96 0.801 -20.238 8.180 1437 HG13 VAL 96 3HG1 VAL 96 2.441 -20.258 7.534 1438 HG21 VAL 96 3HG2 VAL 96 2.997 -23.858 7.847 1439 HG22 VAL 96 1HG2 VAL 96 3.517 -22.696 9.068 1440 HG23 VAL 96 2HG2 VAL 96 3.691 -22.314 7.356 Start of MODEL 17 1 HA MET 1 HA MET 1 -5.430 16.070 -1.261 2 H1 MET 1 1H MET 1 -4.889 16.551 1.608 3 H2 MET 1 2H MET 1 -4.697 15.082 0.804 4 H3 MET 1 3H MET 1 -6.242 15.748 0.975 5 HB2 MET 1 2HB MET 1 -5.464 18.617 0.377 6 HB3 MET 1 1HB MET 1 -5.608 18.547 -1.372 7 HG2 MET 1 2HG MET 1 -7.681 17.270 -1.145 8 HG3 MET 1 1HG MET 1 -7.540 17.368 0.609 9 HE1 MET 1 3HE MET 1 -10.145 18.258 -0.990 10 HE2 MET 1 1HE MET 1 -10.538 19.764 -0.159 11 HE3 MET 1 2HE MET 1 -9.992 18.366 0.765 12 H GLY 2 H GLY 2 -3.826 16.876 -2.685 13 HA2 GLY 2 2HA GLY 2 -1.731 17.627 -3.323 14 HA3 GLY 2 1HA GLY 2 -1.403 18.042 -1.648 15 H SER 3 H SER 3 0.461 16.844 -3.393 16 HA SER 3 HA SER 3 1.176 14.582 -1.725 17 HG SER 3 HG SER 3 -0.847 13.821 -2.658 18 HB2 SER 3 2HB SER 3 0.731 14.251 -4.702 19 HB3 SER 3 1HB SER 3 1.571 13.077 -3.689 20 H SER 4 H SER 4 2.183 17.287 -2.376 21 HA SER 4 HA SER 4 4.575 16.926 -3.913 22 HG SER 4 HG SER 4 3.778 18.827 -1.074 23 HB2 SER 4 2HB SER 4 5.122 19.226 -3.052 24 HB3 SER 4 1HB SER 4 3.568 19.113 -3.879 25 H HIS 5 H HIS 5 5.917 15.410 -3.067 26 HA HIS 5 HA HIS 5 7.306 16.074 -0.617 27 HD1 HIS 5 1HD HIS 5 7.700 11.908 0.005 28 HD2 HIS 5 2HD HIS 5 7.004 15.195 2.449 29 HE1 HIS 5 1HE HIS 5 8.977 11.454 2.125 30 HE2 HIS 5 2HE HIS 5 8.644 13.513 3.541 31 HB2 HIS 5 2HB HIS 5 5.345 14.745 0.162 32 HB3 HIS 5 1HB HIS 5 5.863 13.418 -0.868 33 H HIS 6 H HIS 6 8.879 16.368 -2.346 34 HA HIS 6 HA HIS 6 9.782 13.982 -3.744 35 HD1 HIS 6 1HD HIS 6 10.386 15.298 -7.059 36 HD2 HIS 6 2HD HIS 6 7.958 17.397 -4.406 37 HE1 HIS 6 1HE HIS 6 8.458 16.152 -8.427 38 HE2 HIS 6 2HE HIS 6 7.125 17.594 -6.848 39 HB2 HIS 6 2HB HIS 6 10.816 16.825 -3.823 40 HB3 HIS 6 1HB HIS 6 11.421 15.509 -4.818 41 H HIS 7 H HIS 7 11.631 12.883 -3.345 42 HA HIS 7 HA HIS 7 13.901 13.725 -2.043 43 HD1 HIS 7 1HD HIS 7 12.480 15.682 0.492 44 HD2 HIS 7 2HD HIS 7 15.571 12.928 0.903 45 HE1 HIS 7 1HE HIS 7 14.273 16.868 1.798 46 HE2 HIS 7 2HE HIS 7 16.203 15.248 1.883 47 HB2 HIS 7 2HB HIS 7 11.817 13.292 -0.135 48 HB3 HIS 7 1HB HIS 7 13.022 12.024 0.070 49 H HIS 8 H HIS 8 11.857 10.840 -1.595 50 HA HIS 8 HA HIS 8 12.162 8.641 -2.042 51 HD1 HIS 8 1HD HIS 8 12.045 6.744 -4.763 52 HD2 HIS 8 2HD HIS 8 11.577 10.854 -5.197 53 HE1 HIS 8 1HE HIS 8 10.087 7.047 -6.311 54 HE2 HIS 8 2HE HIS 8 9.940 9.529 -6.701 55 HB2 HIS 8 2HB HIS 8 13.996 9.813 -4.101 56 HB3 HIS 8 1HB HIS 8 13.986 8.076 -3.826 57 H HIS 9 H HIS 9 13.576 6.830 -1.615 58 HA HIS 9 HA HIS 9 16.243 7.199 -0.684 59 HD1 HIS 9 1HD HIS 9 16.896 9.008 2.027 60 HD2 HIS 9 2HD HIS 9 16.542 4.884 2.489 61 HE1 HIS 9 1HE HIS 9 18.838 8.313 3.468 62 HE2 HIS 9 2HE HIS 9 18.528 5.843 3.859 63 HB2 HIS 9 2HB HIS 9 14.679 8.097 1.207 64 HB3 HIS 9 1HB HIS 9 14.324 6.398 1.495 65 H HIS 10 H HIS 10 17.269 5.185 -0.296 66 HA HIS 10 HA HIS 10 15.588 2.832 -0.873 67 HD1 HIS 10 1HD HIS 10 17.852 5.199 -3.658 68 HD2 HIS 10 2HD HIS 10 15.140 2.040 -3.762 69 HE1 HIS 10 1HE HIS 10 16.399 5.612 -5.672 70 HE2 HIS 10 2HE HIS 10 14.744 3.711 -5.701 71 HB2 HIS 10 2HB HIS 10 18.350 3.437 -1.950 72 HB3 HIS 10 1HB HIS 10 17.531 1.887 -2.128 73 H SER 11 H SER 11 16.364 0.825 -0.038 74 HA SER 11 HA SER 11 18.591 0.785 1.777 75 HG SER 11 HG SER 11 18.416 0.335 4.050 76 HB2 SER 11 2HB SER 11 16.735 1.776 3.162 77 HB3 SER 11 1HB SER 11 15.817 0.296 2.901 78 H SER 12 H SER 12 18.414 -1.498 2.995 79 HA SER 12 HA SER 12 18.053 -3.445 0.860 80 HG SER 12 HG SER 12 20.662 -2.506 2.619 81 HB2 SER 12 2HB SER 12 19.248 -3.794 3.623 82 HB3 SER 12 1HB SER 12 19.331 -4.955 2.297 83 H GLY 13 H GLY 13 16.495 -2.354 3.709 84 HA2 GLY 13 2HA GLY 13 14.361 -2.904 4.438 85 HA3 GLY 13 1HA GLY 13 14.345 -4.243 3.301 86 H ARG 14 H ARG 14 13.439 -4.317 6.010 87 HA ARG 14 HA ARG 14 15.194 -6.452 6.975 88 HE ARG 14 HE ARG 14 16.498 -6.086 10.493 89 HB2 ARG 14 2HB ARG 14 14.102 -4.183 8.634 90 HB3 ARG 14 1HB ARG 14 14.657 -5.692 9.344 91 HG2 ARG 14 2HG ARG 14 16.368 -3.892 7.641 92 HG3 ARG 14 1HG ARG 14 16.330 -3.863 9.405 93 HD2 ARG 14 2HD ARG 14 17.089 -6.226 7.692 94 HD3 ARG 14 1HD ARG 14 18.213 -5.184 8.563 95 HH11 ARG 14 1HH1 ARG 14 18.633 -7.588 8.151 96 HH12 ARG 14 2HH1 ARG 14 18.871 -9.024 9.096 97 HH21 ARG 14 2HH2 ARG 14 17.848 -9.243 11.152 98 HH22 ARG 14 1HH2 ARG 14 16.823 -7.970 11.751 99 H GLU 15 H GLU 15 12.413 -5.129 8.627 100 HA GLU 15 HA GLU 15 10.396 -6.789 7.655 101 HB2 GLU 15 2HB GLU 15 10.292 -8.502 9.411 102 HB3 GLU 15 1HB GLU 15 11.790 -8.634 8.500 103 HG2 GLU 15 2HG GLU 15 12.918 -7.345 10.315 104 HG3 GLU 15 1HG GLU 15 11.423 -7.451 11.241 105 H ASN 16 H ASN 16 8.513 -6.840 9.159 106 HA ASN 16 HA ASN 16 8.776 -5.035 11.455 107 HB2 ASN 16 2HB ASN 16 6.644 -4.023 11.045 108 HB3 ASN 16 1HB ASN 16 7.552 -3.917 9.543 109 HD21 ASN 16 2HD2 ASN 16 5.325 -5.855 7.697 110 HD22 ASN 16 1HD2 ASN 16 6.866 -5.057 7.750 111 H LEU 17 H LEU 17 7.577 -5.654 13.281 112 HA LEU 17 HA LEU 17 6.715 -8.455 13.199 113 HG LEU 17 HG LEU 17 6.011 -8.921 16.020 114 HB2 LEU 17 2HB LEU 17 8.474 -7.635 14.834 115 HB3 LEU 17 1HB LEU 17 7.194 -6.748 15.639 116 HD11 LEU 17 1HD1 LEU 17 7.294 -10.991 15.785 117 HD12 LEU 17 2HD1 LEU 17 8.599 -10.092 15.010 118 HD13 LEU 17 3HD1 LEU 17 7.024 -10.211 14.226 119 HD21 LEU 17 3HD2 LEU 17 7.502 -9.661 17.825 120 HD22 LEU 17 1HD2 LEU 17 7.321 -7.908 17.783 121 HD23 LEU 17 2HD2 LEU 17 8.789 -8.658 17.156 122 H TYR 18 H TYR 18 5.032 -6.581 12.070 123 HA TYR 18 HA TYR 18 2.917 -5.828 11.994 124 HD1 TYR 18 1HD TYR 18 1.090 -7.090 10.858 125 HD2 TYR 18 2HD TYR 18 0.181 -7.313 15.007 126 HE1 TYR 18 1HE TYR 18 -1.294 -6.784 10.344 127 HE2 TYR 18 2HE TYR 18 -2.207 -6.997 14.505 128 HH TYR 18 HH TYR 18 -3.483 -7.278 11.394 129 HB2 TYR 18 2HB TYR 18 2.618 -8.264 12.688 130 HB3 TYR 18 1HB TYR 18 2.376 -7.665 14.316 131 H PHE 19 H PHE 19 1.031 -5.285 14.000 132 HA PHE 19 HA PHE 19 2.179 -2.833 14.945 133 HD1 PHE 19 2HD PHE 19 0.410 -0.655 14.051 134 HD2 PHE 19 1HD PHE 19 -0.859 -4.554 12.926 135 HE1 PHE 19 2HE PHE 19 0.000 0.141 11.759 136 HE2 PHE 19 1HE PHE 19 -1.271 -3.770 10.637 137 HZ PHE 19 HZ PHE 19 -0.840 -1.419 10.050 138 HB2 PHE 19 2HB PHE 19 -0.610 -3.957 15.239 139 HB3 PHE 19 1HB PHE 19 -0.126 -2.331 15.715 140 H GLN 20 H GLN 20 2.273 -5.846 16.218 141 HA GLN 20 HA GLN 20 1.803 -5.182 18.978 142 HB2 GLN 20 2HB GLN 20 1.556 -7.499 18.075 143 HB3 GLN 20 1HB GLN 20 3.298 -7.546 17.830 144 HG2 GLN 20 2HG GLN 20 3.610 -7.205 20.257 145 HG3 GLN 20 1HG GLN 20 1.861 -7.280 20.462 146 HE21 GLN 20 2HE2 GLN 20 3.540 -10.600 21.067 147 HE22 GLN 20 1HE2 GLN 20 3.923 -8.984 21.585 148 H GLY 21 H GLY 21 4.654 -5.746 16.933 149 HA2 GLY 21 2HA GLY 21 6.211 -4.146 18.851 150 HA3 GLY 21 1HA GLY 21 6.824 -5.697 18.297 151 H MET 22 H MET 22 5.565 -2.634 16.993 152 HA MET 22 HA MET 22 6.833 -2.910 14.488 153 HB2 MET 22 2HB MET 22 5.612 -0.613 15.962 154 HB3 MET 22 1HB MET 22 6.560 -0.297 14.514 155 HG2 MET 22 2HG MET 22 4.172 -2.123 14.671 156 HG3 MET 22 1HG MET 22 4.161 -0.473 14.046 157 HE1 MET 22 3HE MET 22 3.762 -2.572 10.762 158 HE2 MET 22 1HE MET 22 3.098 -1.270 11.748 159 HE3 MET 22 2HE MET 22 3.053 -2.932 12.337 160 H THR 23 H THR 23 8.779 -2.301 13.736 161 HA THR 23 HA THR 23 10.716 -1.385 15.747 162 HB THR 23 HB THR 23 11.055 -3.732 15.012 163 HG1 THR 23 1HG THR 23 12.989 -3.000 15.552 164 HG21 THR 23 3HG2 THR 23 11.553 -2.515 12.298 165 HG22 THR 23 1HG2 THR 23 10.184 -3.536 12.739 166 HG23 THR 23 2HG2 THR 23 11.818 -4.203 12.739 167 H ASP 24 H ASP 24 12.840 -0.824 14.153 168 HA ASP 24 HA ASP 24 12.240 1.794 13.279 169 HB2 ASP 24 2HB ASP 24 14.415 1.510 14.077 170 HB3 ASP 24 1HB ASP 24 14.662 0.031 13.153 171 H THR 25 H THR 25 13.127 -1.125 11.443 172 HA THR 25 HA THR 25 13.090 0.324 8.966 173 HB THR 25 HB THR 25 13.229 -2.664 9.137 174 HG1 THR 25 1HG THR 25 15.037 -0.763 10.171 175 HG21 THR 25 3HG2 THR 25 14.675 -0.607 7.454 176 HG22 THR 25 1HG2 THR 25 13.304 -1.583 6.928 177 HG23 THR 25 2HG2 THR 25 14.841 -2.357 7.314 178 H ALA 26 H ALA 26 10.579 -0.511 10.740 179 HA ALA 26 HA ALA 26 8.857 -1.815 8.884 180 HB1 ALA 26 3HB ALA 26 7.046 -1.114 10.358 181 HB2 ALA 26 1HB ALA 26 8.145 -0.032 11.214 182 HB3 ALA 26 2HB ALA 26 8.388 -1.775 11.293 183 H ALA 27 H ALA 27 10.192 1.256 9.062 184 HA ALA 27 HA ALA 27 8.178 2.696 7.632 185 HB1 ALA 27 3HB ALA 27 9.803 3.850 9.049 186 HB2 ALA 27 1HB ALA 27 9.895 4.422 7.384 187 HB3 ALA 27 2HB ALA 27 11.111 3.303 7.999 188 H GLU 28 H GLU 28 10.705 0.512 6.786 189 HA GLU 28 HA GLU 28 11.132 1.578 4.151 190 HB2 GLU 28 2HB GLU 28 12.818 0.352 5.661 191 HB3 GLU 28 1HB GLU 28 12.023 -1.125 5.149 192 HG2 GLU 28 2HG GLU 28 13.133 0.816 3.155 193 HG3 GLU 28 1HG GLU 28 14.154 -0.383 3.939 194 H ASP 29 H ASP 29 9.519 -1.287 5.514 195 HA ASP 29 HA ASP 29 8.783 -2.217 2.880 196 HB2 ASP 29 2HB ASP 29 7.641 -4.064 4.143 197 HB3 ASP 29 1HB ASP 29 9.373 -3.935 4.402 198 H VAL 30 H VAL 30 7.059 -0.954 5.720 199 HA VAL 30 HA VAL 30 4.478 -1.228 4.642 200 HB VAL 30 HB VAL 30 5.458 0.725 6.729 201 HG11 VAL 30 1HG1 VAL 30 3.126 0.908 7.428 202 HG12 VAL 30 2HG1 VAL 30 2.635 -0.140 6.096 203 HG13 VAL 30 3HG1 VAL 30 3.324 1.449 5.762 204 HG21 VAL 30 3HG2 VAL 30 4.555 -0.904 8.316 205 HG22 VAL 30 1HG2 VAL 30 5.834 -1.600 7.323 206 HG23 VAL 30 2HG2 VAL 30 4.147 -1.978 6.976 207 H ARG 31 H ARG 31 6.814 1.413 4.308 208 HA ARG 31 HA ARG 31 4.894 3.198 3.143 209 HE ARG 31 HE ARG 31 7.327 6.692 3.533 210 HB2 ARG 31 2HB ARG 31 7.901 3.296 3.274 211 HB3 ARG 31 1HB ARG 31 6.930 4.549 2.510 212 HG2 ARG 31 2HG ARG 31 5.841 5.062 4.576 213 HG3 ARG 31 1HG ARG 31 6.594 3.682 5.373 214 HD2 ARG 31 2HD ARG 31 7.798 5.587 6.071 215 HD3 ARG 31 1HD ARG 31 8.814 4.766 4.892 216 HH11 ARG 31 1HH1 ARG 31 9.885 6.480 5.900 217 HH12 ARG 31 2HH1 ARG 31 10.509 8.062 5.572 218 HH21 ARG 31 2HH2 ARG 31 9.501 9.389 3.976 219 HH22 ARG 31 1HH2 ARG 31 8.142 8.787 3.074 220 H LYS 32 H LYS 32 7.008 0.728 1.900 221 HA LYS 32 HA LYS 32 7.054 1.578 -0.793 222 HB2 LYS 32 2HB LYS 32 7.540 -1.066 0.530 223 HB3 LYS 32 1HB LYS 32 7.502 -0.940 -1.222 224 HG2 LYS 32 2HG LYS 32 9.279 0.767 -1.107 225 HG3 LYS 32 1HG LYS 32 9.352 0.530 0.640 226 HD2 LYS 32 2HD LYS 32 9.898 -1.559 -1.467 227 HD3 LYS 32 1HD LYS 32 11.108 -0.733 -0.483 228 HE2 LYS 32 2HE LYS 32 9.756 -1.660 1.516 229 HE3 LYS 32 1HE LYS 32 9.078 -2.779 0.335 230 HZ1 LYS 32 3HZ LYS 32 11.958 -2.431 0.968 231 HZ2 LYS 32 1HZ LYS 32 11.339 -3.503 -0.196 232 HZ3 LYS 32 2HZ LYS 32 10.987 -3.730 1.444 233 H ILE 33 H ILE 33 4.773 -0.505 0.970 234 HA ILE 33 HA ILE 33 3.391 -1.406 -1.325 235 HB ILE 33 HB ILE 33 1.572 -2.060 0.136 236 HG12 ILE 33 2HG1 ILE 33 3.022 -0.568 2.331 237 HG13 ILE 33 1HG1 ILE 33 1.517 -0.057 1.574 238 HG21 ILE 33 1HG2 ILE 33 3.542 -3.478 0.052 239 HG22 ILE 33 2HG2 ILE 33 2.803 -3.532 1.652 240 HG23 ILE 33 3HG2 ILE 33 4.263 -2.579 1.387 241 HD11 ILE 33 3HD1 ILE 33 1.906 -2.584 3.164 242 HD12 ILE 33 1HD1 ILE 33 0.398 -2.031 2.436 243 HD13 ILE 33 2HD1 ILE 33 1.137 -1.105 3.740 244 H ALA 34 H ALA 34 3.065 1.451 0.660 245 HA ALA 34 HA ALA 34 0.673 2.404 -0.590 246 HB1 ALA 34 3HB ALA 34 1.281 3.095 1.668 247 HB2 ALA 34 1HB ALA 34 1.137 4.494 0.603 248 HB3 ALA 34 2HB ALA 34 2.731 3.886 1.051 249 H THR 35 H THR 35 4.106 2.766 -1.145 250 HA THR 35 HA THR 35 3.896 4.912 -3.008 251 HB THR 35 HB THR 35 6.155 2.919 -2.652 252 HG1 THR 35 1HG THR 35 5.722 4.103 -0.729 253 HG21 THR 35 3HG2 THR 35 6.296 4.132 -4.775 254 HG22 THR 35 1HG2 THR 35 7.558 4.668 -3.663 255 HG23 THR 35 2HG2 THR 35 6.127 5.667 -3.922 256 H ALA 36 H ALA 36 3.750 1.435 -3.223 257 HA ALA 36 HA ALA 36 4.168 1.013 -5.934 258 HB1 ALA 36 3HB ALA 36 2.882 -1.031 -5.673 259 HB2 ALA 36 1HB ALA 36 2.200 -0.432 -4.159 260 HB3 ALA 36 2HB ALA 36 3.924 -0.779 -4.273 261 H LEU 37 H LEU 37 1.435 2.400 -4.296 262 HA LEU 37 HA LEU 37 -0.521 2.141 -6.276 263 HG LEU 37 HG LEU 37 -0.218 2.408 -3.053 264 HB2 LEU 37 2HB LEU 37 -0.159 4.461 -4.378 265 HB3 LEU 37 1HB LEU 37 -1.638 3.993 -5.189 266 HD11 LEU 37 1HD1 LEU 37 -2.175 2.955 -1.685 267 HD12 LEU 37 2HD1 LEU 37 -2.806 3.956 -2.993 268 HD13 LEU 37 3HD1 LEU 37 -1.304 4.403 -2.185 269 HD21 LEU 37 3HD2 LEU 37 -1.315 0.936 -4.647 270 HD22 LEU 37 1HD2 LEU 37 -2.808 1.865 -4.507 271 HD23 LEU 37 2HD2 LEU 37 -2.203 0.953 -3.124 272 H LEU 38 H LEU 38 1.976 4.578 -5.774 273 HA LEU 38 HA LEU 38 1.114 6.205 -7.983 274 HG LEU 38 HG LEU 38 1.202 7.874 -6.088 275 HB2 LEU 38 2HB LEU 38 3.697 6.230 -6.416 276 HB3 LEU 38 1HB LEU 38 3.236 7.428 -7.606 277 HD11 LEU 38 1HD1 LEU 38 2.995 6.453 -4.124 278 HD12 LEU 38 2HD1 LEU 38 1.410 5.908 -4.669 279 HD13 LEU 38 3HD1 LEU 38 1.554 7.387 -3.717 280 HD21 LEU 38 3HD2 LEU 38 2.504 9.425 -4.711 281 HD22 LEU 38 1HD2 LEU 38 3.040 9.440 -6.392 282 HD23 LEU 38 2HD2 LEU 38 3.986 8.588 -5.172 283 H LYS 39 H LYS 39 3.250 3.548 -7.469 284 HA LYS 39 HA LYS 39 5.010 4.008 -9.623 285 HB2 LYS 39 2HB LYS 39 5.479 2.537 -7.649 286 HB3 LYS 39 1HB LYS 39 4.378 1.352 -8.341 287 HG2 LYS 39 2HG LYS 39 5.798 1.176 -10.317 288 HG3 LYS 39 1HG LYS 39 6.898 2.375 -9.635 289 HD2 LYS 39 2HD LYS 39 7.283 0.865 -7.712 290 HD3 LYS 39 1HD LYS 39 6.265 -0.346 -8.496 291 HE2 LYS 39 2HE LYS 39 7.803 -0.322 -10.432 292 HE3 LYS 39 1HE LYS 39 8.844 0.802 -9.558 293 HZ1 LYS 39 3HZ LYS 39 8.156 -1.963 -8.715 294 HZ2 LYS 39 1HZ LYS 39 9.114 -0.882 -7.825 295 HZ3 LYS 39 2HZ LYS 39 9.651 -1.446 -9.330 296 H THR 40 H THR 40 2.224 1.776 -9.321 297 HA THR 40 HA THR 40 1.697 2.054 -12.138 298 HB THR 40 HB THR 40 3.641 0.493 -12.059 299 HG1 THR 40 1HG THR 40 2.095 0.454 -13.797 300 HG21 THR 40 3HG2 THR 40 3.253 -1.831 -11.378 301 HG22 THR 40 1HG2 THR 40 1.661 -1.377 -10.767 302 HG23 THR 40 2HG2 THR 40 3.115 -0.715 -10.022 303 H ALA 41 H ALA 41 0.502 1.725 -9.188 304 HA ALA 41 HA ALA 41 -1.433 -0.350 -9.538 305 HB1 ALA 41 3HB ALA 41 -0.679 0.299 -7.319 306 HB2 ALA 41 1HB ALA 41 -2.427 0.456 -7.472 307 HB3 ALA 41 2HB ALA 41 -1.404 1.892 -7.529 308 H ILE 42 H ILE 42 -1.292 2.997 -10.393 309 HA ILE 42 HA ILE 42 -4.133 3.290 -10.794 310 HB ILE 42 HB ILE 42 -2.019 5.010 -12.087 311 HG12 ILE 42 2HG1 ILE 42 -3.147 5.298 -9.290 312 HG13 ILE 42 1HG1 ILE 42 -1.506 4.791 -9.670 313 HG21 ILE 42 1HG2 ILE 42 -4.327 5.341 -12.802 314 HG22 ILE 42 2HG2 ILE 42 -3.756 6.733 -11.882 315 HG23 ILE 42 3HG2 ILE 42 -4.827 5.554 -11.125 316 HD11 ILE 42 3HD1 ILE 42 -1.046 6.953 -10.668 317 HD12 ILE 42 1HD1 ILE 42 -1.615 7.139 -9.008 318 HD13 ILE 42 2HD1 ILE 42 -2.705 7.464 -10.357 319 H GLU 43 H GLU 43 -5.184 3.349 -12.887 320 HA GLU 43 HA GLU 43 -3.882 1.375 -14.633 321 HB2 GLU 43 2HB GLU 43 -6.176 1.039 -13.327 322 HB3 GLU 43 1HB GLU 43 -6.817 1.826 -14.766 323 HG2 GLU 43 2HG GLU 43 -6.861 -0.601 -14.969 324 HG3 GLU 43 1HG GLU 43 -5.792 0.132 -16.169 325 H ILE 44 H ILE 44 -4.299 1.415 -16.878 326 HA ILE 44 HA ILE 44 -4.979 4.074 -17.945 327 HB ILE 44 HB ILE 44 -2.970 2.062 -18.948 328 HG12 ILE 44 2HG1 ILE 44 -2.219 3.702 -17.245 329 HG13 ILE 44 1HG1 ILE 44 -1.405 3.919 -18.790 330 HG21 ILE 44 1HG2 ILE 44 -2.660 3.475 -20.922 331 HG22 ILE 44 2HG2 ILE 44 -4.019 4.473 -20.406 332 HG23 ILE 44 3HG2 ILE 44 -4.285 2.790 -20.856 333 HD11 ILE 44 3HD1 ILE 44 -3.663 5.573 -17.696 334 HD12 ILE 44 1HD1 ILE 44 -2.970 5.752 -19.309 335 HD13 ILE 44 2HD1 ILE 44 -1.976 6.059 -17.883 336 H VAL 45 H VAL 45 -6.928 4.008 -18.786 337 HA VAL 45 HA VAL 45 -7.607 1.727 -20.519 338 HB VAL 45 HB VAL 45 -10.019 2.483 -20.184 339 HG11 VAL 45 1HG1 VAL 45 -10.256 1.262 -18.072 340 HG12 VAL 45 2HG1 VAL 45 -8.518 1.399 -17.806 341 HG13 VAL 45 3HG1 VAL 45 -9.130 0.457 -19.165 342 HG21 VAL 45 3HG2 VAL 45 -8.773 3.950 -17.862 343 HG22 VAL 45 1HG2 VAL 45 -10.499 3.679 -18.083 344 HG23 VAL 45 2HG2 VAL 45 -9.610 4.679 -19.232 345 H SER 46 H SER 46 -7.542 2.236 -22.612 346 HA SER 46 HA SER 46 -7.470 5.089 -23.271 347 HG SER 46 HG SER 46 -6.690 4.250 -26.351 348 HB2 SER 46 2HB SER 46 -5.509 3.733 -23.874 349 HB3 SER 46 1HB SER 46 -6.525 2.702 -24.871 350 H GLU 47 H GLU 47 -8.452 5.820 -25.276 351 HA GLU 47 HA GLU 47 -11.123 4.882 -25.653 352 HB2 GLU 47 2HB GLU 47 -9.427 6.669 -27.417 353 HB3 GLU 47 1HB GLU 47 -11.165 6.460 -27.556 354 HG2 GLU 47 2HG GLU 47 -9.782 7.575 -25.132 355 HG3 GLU 47 1HG GLU 47 -10.466 8.551 -26.429 356 H GLU 48 H GLU 48 -12.004 3.998 -27.682 357 HA GLU 48 HA GLU 48 -10.700 1.838 -28.806 358 HB2 GLU 48 2HB GLU 48 -12.661 3.636 -30.252 359 HB3 GLU 48 1HB GLU 48 -12.267 1.979 -30.681 360 HG2 GLU 48 2HG GLU 48 -14.195 1.594 -29.574 361 HG3 GLU 48 1HG GLU 48 -13.094 1.542 -28.199 362 H ASP 49 H ASP 49 -10.840 5.162 -29.942 363 HA ASP 49 HA ASP 49 -8.100 4.977 -30.823 364 HB2 ASP 49 2HB ASP 49 -9.309 4.312 -32.859 365 HB3 ASP 49 1HB ASP 49 -10.260 5.792 -32.777 366 H GLY 50 H GLY 50 -7.235 6.620 -29.796 367 HA2 GLY 50 2HA GLY 50 -7.646 9.275 -30.291 368 HA3 GLY 50 1HA GLY 50 -8.790 8.912 -29.010 369 H GLY 51 H GLY 51 -7.960 8.213 -26.945 370 HA2 GLY 51 2HA GLY 51 -5.128 8.572 -26.496 371 HA3 GLY 51 1HA GLY 51 -6.163 9.815 -25.810 372 H ALA 52 H ALA 52 -4.416 7.863 -24.569 373 HA ALA 52 HA ALA 52 -5.951 5.943 -23.158 374 HB1 ALA 52 3HB ALA 52 -3.268 7.140 -22.473 375 HB2 ALA 52 1HB ALA 52 -3.540 5.701 -23.456 376 HB3 ALA 52 2HB ALA 52 -3.971 5.698 -21.748 377 H HIS 53 H HIS 53 -6.497 5.952 -20.913 378 HA HIS 53 HA HIS 53 -6.773 8.655 -19.751 379 HD1 HIS 53 1HD HIS 53 -9.482 9.969 -20.042 380 HD2 HIS 53 2HD HIS 53 -9.691 6.330 -22.030 381 HE1 HIS 53 1HE HIS 53 -10.790 10.414 -22.122 382 HE2 HIS 53 2HE HIS 53 -11.149 8.136 -23.150 383 HB2 HIS 53 2HB HIS 53 -8.705 6.338 -19.476 384 HB3 HIS 53 1HB HIS 53 -8.826 7.866 -18.615 385 H ASN 54 H ASN 54 -5.703 8.866 -17.886 386 HA ASN 54 HA ASN 54 -4.773 6.546 -16.427 387 HB2 ASN 54 2HB ASN 54 -3.459 8.703 -16.660 388 HB3 ASN 54 1HB ASN 54 -4.651 9.461 -15.608 389 HD21 ASN 54 2HD2 ASN 54 -2.499 8.685 -12.998 390 HD22 ASN 54 1HD2 ASN 54 -3.218 9.907 -13.980 391 H GLN 55 H GLN 55 -6.239 5.470 -15.239 392 HA GLN 55 HA GLN 55 -8.582 6.983 -14.290 393 HB2 GLN 55 2HB GLN 55 -8.626 4.974 -16.021 394 HB3 GLN 55 1HB GLN 55 -8.600 4.010 -14.553 395 HG2 GLN 55 2HG GLN 55 -10.619 6.183 -15.002 396 HG3 GLN 55 1HG GLN 55 -10.861 4.539 -15.581 397 HE21 GLN 55 2HE2 GLN 55 -11.676 3.215 -12.471 398 HE22 GLN 55 1HE2 GLN 55 -11.245 2.900 -14.113 399 H CYS 56 H CYS 56 -8.621 7.373 -12.211 400 HA CYS 56 HA CYS 56 -7.181 5.665 -10.346 401 HG CYS 56 HG CYS 56 -6.398 8.590 -11.542 402 HB2 CYS 56 2HB CYS 56 -8.756 8.212 -9.881 403 HB3 CYS 56 1HB CYS 56 -7.794 7.371 -8.669 404 H LYS 57 H LYS 57 -8.360 3.785 -10.319 405 HA LYS 57 HA LYS 57 -11.205 3.767 -10.145 406 HB2 LYS 57 2HB LYS 57 -10.867 1.266 -9.763 407 HB3 LYS 57 1HB LYS 57 -10.331 1.937 -11.291 408 HG2 LYS 57 2HG LYS 57 -8.381 1.628 -9.051 409 HG3 LYS 57 1HG LYS 57 -8.848 0.228 -10.017 410 HD2 LYS 57 2HD LYS 57 -8.188 1.475 -12.056 411 HD3 LYS 57 1HD LYS 57 -7.626 2.795 -11.031 412 HE2 LYS 57 2HE LYS 57 -5.706 1.539 -11.566 413 HE3 LYS 57 1HE LYS 57 -6.118 1.106 -9.910 414 HZ1 LYS 57 3HZ LYS 57 -5.529 -0.837 -11.220 415 HZ2 LYS 57 1HZ LYS 57 -6.770 -0.503 -12.321 416 HZ3 LYS 57 2HZ LYS 57 -7.148 -0.921 -10.724 417 H LEU 58 H LEU 58 -9.228 4.724 -7.863 418 HA LEU 58 HA LEU 58 -10.753 3.489 -5.676 419 HG LEU 58 HG LEU 58 -8.926 2.179 -4.888 420 HB2 LEU 58 2HB LEU 58 -8.122 4.953 -5.706 421 HB3 LEU 58 1HB LEU 58 -9.013 4.676 -4.224 422 HD11 LEU 58 1HD1 LEU 58 -8.128 2.500 -7.171 423 HD12 LEU 58 2HD1 LEU 58 -7.001 1.531 -6.220 424 HD13 LEU 58 3HD1 LEU 58 -6.643 3.226 -6.551 425 HD21 LEU 58 3HD2 LEU 58 -6.751 1.928 -3.804 426 HD22 LEU 58 1HD2 LEU 58 -7.757 3.119 -2.982 427 HD23 LEU 58 2HD2 LEU 58 -6.439 3.648 -4.031 428 H CYS 59 H CYS 59 -11.361 5.793 -7.633 429 HA CYS 59 HA CYS 59 -12.761 7.393 -5.684 430 HG CYS 59 HG CYS 59 -12.364 10.881 -7.264 431 HB2 CYS 59 2HB CYS 59 -10.511 8.483 -5.866 432 HB3 CYS 59 1HB CYS 59 -10.850 8.782 -7.566 433 H GLY 60 H GLY 60 -12.089 6.536 -9.011 434 HA2 GLY 60 2HA GLY 60 -13.711 6.221 -10.662 435 HA3 GLY 60 1HA GLY 60 -14.866 7.097 -9.664 436 H ALA 61 H ALA 61 -11.715 7.796 -11.145 437 HA ALA 61 HA ALA 61 -12.849 9.978 -12.668 438 HB1 ALA 61 3HB ALA 61 -11.349 11.679 -11.738 439 HB2 ALA 61 1HB ALA 61 -10.763 10.514 -10.550 440 HB3 ALA 61 2HB ALA 61 -12.443 11.048 -10.505 441 H SER 62 H SER 62 -11.761 10.260 -14.524 442 HA SER 62 HA SER 62 -9.126 8.986 -14.765 443 HG SER 62 HG SER 62 -12.403 8.740 -16.797 444 HB2 SER 62 2HB SER 62 -9.726 8.527 -17.140 445 HB3 SER 62 1HB SER 62 -10.775 7.695 -15.991 446 H VAL 63 H VAL 63 -7.625 9.983 -16.160 447 HA VAL 63 HA VAL 63 -8.278 12.650 -17.164 448 HB VAL 63 HB VAL 63 -7.332 13.051 -14.952 449 HG11 VAL 63 1HG1 VAL 63 -5.104 12.332 -14.333 450 HG12 VAL 63 2HG1 VAL 63 -4.917 11.505 -15.879 451 HG13 VAL 63 3HG1 VAL 63 -6.116 10.941 -14.715 452 HG21 VAL 63 3HG2 VAL 63 -5.296 13.683 -17.083 453 HG22 VAL 63 1HG2 VAL 63 -5.478 14.504 -15.530 454 HG23 VAL 63 2HG2 VAL 63 -6.753 14.619 -16.744 455 HA PRO 64 HA PRO 64 -6.204 11.230 -20.850 456 HB2 PRO 64 1HB PRO 64 -5.832 13.121 -22.136 457 HB3 PRO 64 2HB PRO 64 -5.129 14.024 -20.787 458 HG2 PRO 64 2HG PRO 64 -7.266 14.955 -20.869 459 HG3 PRO 64 1HG PRO 64 -8.008 13.429 -21.380 460 HD2 PRO 64 2HD PRO 64 -7.208 14.327 -18.656 461 HD3 PRO 64 1HD PRO 64 -8.545 13.269 -19.150 462 H TRP 65 H TRP 65 -4.257 10.359 -21.327 463 HA TRP 65 HA TRP 65 -2.286 10.235 -19.286 464 HD1 TRP 65 HD TRP 65 0.058 7.717 -22.455 465 HE1 TRP 65 1HE TRP 65 1.828 6.672 -20.898 466 HE3 TRP 65 3HE TRP 65 -1.887 9.146 -17.934 467 HZ2 TRP 65 2HZ TRP 65 2.325 6.493 -18.136 468 HZ3 TRP 65 3HZ TRP 65 -0.695 8.492 -15.886 469 HH2 TRP 65 HH TRP 65 1.368 7.193 -15.986 470 HB2 TRP 65 2HB TRP 65 -2.919 8.438 -21.001 471 HB3 TRP 65 1HB TRP 65 -1.928 9.331 -22.145 472 H LEU 66 H LEU 66 0.039 10.704 -19.665 473 HA LEU 66 HA LEU 66 1.759 12.121 -20.068 474 HG LEU 66 HG LEU 66 2.062 12.361 -23.704 475 HB2 LEU 66 2HB LEU 66 0.019 12.956 -22.366 476 HB3 LEU 66 1HB LEU 66 1.478 13.843 -21.980 477 HD11 LEU 66 1HD1 LEU 66 3.683 10.840 -22.669 478 HD12 LEU 66 2HD1 LEU 66 2.928 11.128 -21.100 479 HD13 LEU 66 3HD1 LEU 66 3.719 12.453 -21.954 480 HD21 LEU 66 3HD2 LEU 66 0.739 10.156 -22.138 481 HD22 LEU 66 1HD2 LEU 66 1.639 9.949 -23.641 482 HD23 LEU 66 2HD2 LEU 66 0.146 10.886 -23.632 483 H GLN 67 H GLN 67 -1.401 13.227 -19.434 484 HA GLN 67 HA GLN 67 -0.643 15.925 -18.749 485 HB2 GLN 67 2HB GLN 67 -2.914 15.248 -19.595 486 HB3 GLN 67 1HB GLN 67 -3.186 14.438 -18.060 487 HG2 GLN 67 2HG GLN 67 -3.051 16.533 -16.881 488 HG3 GLN 67 1HG GLN 67 -2.633 17.380 -18.369 489 HE21 GLN 67 2HE2 GLN 67 -6.310 17.607 -17.489 490 HE22 GLN 67 1HE2 GLN 67 -4.866 17.784 -16.545 491 H THR 68 H THR 68 0.053 13.080 -17.384 492 HA THR 68 HA THR 68 1.068 12.529 -15.435 493 HB THR 68 HB THR 68 0.516 15.377 -14.583 494 HG1 THR 68 1HG THR 68 2.081 15.766 -15.955 495 HG21 THR 68 3HG2 THR 68 0.912 13.924 -12.658 496 HG22 THR 68 1HG2 THR 68 2.287 14.996 -12.919 497 HG23 THR 68 2HG2 THR 68 2.381 13.305 -13.412 498 H GLY 69 H GLY 69 -1.774 14.588 -14.786 499 HA2 GLY 69 2HA GLY 69 -3.458 12.687 -13.773 500 HA3 GLY 69 1HA GLY 69 -2.453 13.139 -12.403 501 H ASP 70 H ASP 70 -2.146 15.879 -13.431 502 HA ASP 70 HA ASP 70 -3.125 17.926 -13.442 503 HB2 ASP 70 2HB ASP 70 -4.681 16.916 -15.088 504 HB3 ASP 70 1HB ASP 70 -5.734 16.427 -13.768 505 H GLU 71 H GLU 71 -3.407 15.737 -11.072 506 HA GLU 71 HA GLU 71 -4.209 15.582 -8.978 507 HB2 GLU 71 2HB GLU 71 -3.952 18.585 -9.121 508 HB3 GLU 71 1HB GLU 71 -4.057 17.619 -7.665 509 HG2 GLU 71 2HG GLU 71 -1.948 16.600 -8.078 510 HG3 GLU 71 1HG GLU 71 -1.857 17.334 -9.678 511 H ILE 72 H ILE 72 -6.185 15.295 -10.748 512 HA ILE 72 HA ILE 72 -8.394 16.990 -10.577 513 HB ILE 72 HB ILE 72 -8.236 15.173 -12.217 514 HG12 ILE 72 2HG1 ILE 72 -10.648 14.810 -10.425 515 HG13 ILE 72 1HG1 ILE 72 -10.454 16.113 -11.596 516 HG21 ILE 72 1HG2 ILE 72 -8.638 13.334 -9.861 517 HG22 ILE 72 2HG2 ILE 72 -7.197 13.461 -10.870 518 HG23 ILE 72 3HG2 ILE 72 -8.702 12.843 -11.552 519 HD11 ILE 72 3HD1 ILE 72 -10.402 14.491 -13.404 520 HD12 ILE 72 1HD1 ILE 72 -11.872 14.322 -12.447 521 HD13 ILE 72 2HD1 ILE 72 -10.549 13.172 -12.241 522 H LYS 73 H LYS 73 -10.247 16.981 -9.255 523 HA LYS 73 HA LYS 73 -9.650 16.703 -6.536 524 HB2 LYS 73 2HB LYS 73 -12.286 17.155 -7.927 525 HB3 LYS 73 1HB LYS 73 -12.088 17.203 -6.179 526 HG2 LYS 73 2HG LYS 73 -10.782 19.012 -8.203 527 HG3 LYS 73 1HG LYS 73 -12.010 19.449 -7.013 528 HD2 LYS 73 2HD LYS 73 -10.478 19.050 -5.202 529 HD3 LYS 73 1HD LYS 73 -9.271 18.398 -6.308 530 HE2 LYS 73 2HE LYS 73 -8.637 20.625 -5.713 531 HE3 LYS 73 1HE LYS 73 -9.145 20.619 -7.401 532 HZ1 LYS 73 3HZ LYS 73 -9.970 22.496 -5.952 533 HZ2 LYS 73 1HZ LYS 73 -10.985 21.366 -5.203 534 HZ3 LYS 73 2HZ LYS 73 -11.145 21.683 -6.865 535 H HIS 74 H HIS 74 -10.613 15.406 -4.924 536 HA HIS 74 HA HIS 74 -11.201 12.685 -5.793 537 HD1 HIS 74 1HD HIS 74 -7.933 12.442 -2.510 538 HD2 HIS 74 2HD HIS 74 -9.830 9.958 -5.248 539 HE1 HIS 74 1HE HIS 74 -7.681 10.115 -1.595 540 HE2 HIS 74 2HE HIS 74 -9.052 8.676 -3.146 541 HB2 HIS 74 2HB HIS 74 -8.841 12.684 -5.954 542 HB3 HIS 74 1HB HIS 74 -8.654 13.669 -4.514 543 H ALA 75 H ALA 75 -12.237 11.470 -4.212 544 HA ALA 75 HA ALA 75 -13.182 12.641 -1.814 545 HB1 ALA 75 3HB ALA 75 -12.881 9.715 -2.516 546 HB2 ALA 75 1HB ALA 75 -14.294 10.717 -2.849 547 HB3 ALA 75 2HB ALA 75 -13.839 10.360 -1.183 548 H ASP 76 H ASP 76 -11.765 13.370 -0.328 549 HA ASP 76 HA ASP 76 -9.043 12.556 -0.620 550 HB2 ASP 76 2HB ASP 76 -10.060 14.911 -0.160 551 HB3 ASP 76 1HB ASP 76 -9.936 14.428 1.528 552 H ASP 77 H ASP 77 -11.503 11.464 1.482 553 HA ASP 77 HA ASP 77 -9.594 10.725 3.552 554 HB2 ASP 77 2HB ASP 77 -11.423 9.982 4.861 555 HB3 ASP 77 1HB ASP 77 -11.933 11.489 4.113 556 H CYS 78 H CYS 78 -10.497 9.480 0.632 557 HA CYS 78 HA CYS 78 -10.630 6.722 1.053 558 HG CYS 78 HG CYS 78 -11.864 6.771 -2.491 559 HB2 CYS 78 2HB CYS 78 -9.453 8.289 -1.244 560 HB3 CYS 78 1HB CYS 78 -9.619 6.536 -1.256 561 HA PRO 79 HA PRO 79 -6.861 5.257 2.654 562 HB2 PRO 79 1HB PRO 79 -7.305 3.078 2.244 563 HB3 PRO 79 2HB PRO 79 -6.220 3.226 0.859 564 HG2 PRO 79 2HG PRO 79 -7.957 3.540 -0.637 565 HG3 PRO 79 1HG PRO 79 -8.795 2.532 0.558 566 HD2 PRO 79 2HD PRO 79 -9.764 4.911 -0.158 567 HD3 PRO 79 1HD PRO 79 -9.858 4.357 1.527 568 H VAL 80 H VAL 80 -6.866 6.298 -0.649 569 HA VAL 80 HA VAL 80 -4.160 6.026 -1.296 570 HB VAL 80 HB VAL 80 -6.003 8.251 -2.179 571 HG11 VAL 80 1HG1 VAL 80 -4.576 8.349 -4.164 572 HG12 VAL 80 2HG1 VAL 80 -3.539 7.096 -3.483 573 HG13 VAL 80 3HG1 VAL 80 -3.653 8.669 -2.695 574 HG21 VAL 80 3HG2 VAL 80 -7.037 6.102 -2.588 575 HG22 VAL 80 1HG2 VAL 80 -5.568 5.520 -3.370 576 HG23 VAL 80 2HG2 VAL 80 -6.504 6.818 -4.110 577 H VAL 81 H VAL 81 -5.888 8.696 0.296 578 HA VAL 81 HA VAL 81 -3.564 10.364 0.400 579 HB VAL 81 HB VAL 81 -6.239 10.650 1.772 580 HG11 VAL 81 1HG1 VAL 81 -5.603 12.975 2.172 581 HG12 VAL 81 2HG1 VAL 81 -4.000 12.657 1.511 582 HG13 VAL 81 3HG1 VAL 81 -4.511 11.868 3.004 583 HG21 VAL 81 3HG2 VAL 81 -6.658 12.314 0.041 584 HG22 VAL 81 1HG2 VAL 81 -6.317 10.735 -0.668 585 HG23 VAL 81 2HG2 VAL 81 -5.076 11.989 -0.664 586 H ILE 82 H ILE 82 -5.230 8.283 2.745 587 HA ILE 82 HA ILE 82 -3.648 9.071 4.958 588 HB ILE 82 HB ILE 82 -5.812 7.835 5.148 589 HG12 ILE 82 2HG1 ILE 82 -5.105 6.408 7.058 590 HG13 ILE 82 1HG1 ILE 82 -3.431 6.629 6.560 591 HG21 ILE 82 1HG2 ILE 82 -5.837 5.413 4.997 592 HG22 ILE 82 2HG2 ILE 82 -4.175 5.429 4.409 593 HG23 ILE 82 3HG2 ILE 82 -5.459 6.150 3.440 594 HD11 ILE 82 3HD1 ILE 82 -4.042 8.100 8.403 595 HD12 ILE 82 1HD1 ILE 82 -5.307 8.821 7.411 596 HD13 ILE 82 2HD1 ILE 82 -3.612 9.016 6.960 597 H ALA 83 H ALA 83 -3.289 6.585 2.500 598 HA ALA 83 HA ALA 83 -0.900 5.433 3.473 599 HB1 ALA 83 3HB ALA 83 -1.853 5.681 0.619 600 HB2 ALA 83 1HB ALA 83 -2.249 4.374 1.734 601 HB3 ALA 83 2HB ALA 83 -0.584 4.600 1.195 602 H LYS 84 H LYS 84 -1.550 8.174 1.341 603 HA LYS 84 HA LYS 84 1.058 8.842 0.620 604 HB2 LYS 84 2HB LYS 84 -1.535 10.093 0.540 605 HB3 LYS 84 1HB LYS 84 -0.325 11.269 1.029 606 HG2 LYS 84 2HG LYS 84 -0.561 11.373 -1.339 607 HG3 LYS 84 1HG LYS 84 1.005 10.643 -0.977 608 HD2 LYS 84 2HD LYS 84 0.048 8.419 -1.369 609 HD3 LYS 84 1HD LYS 84 -1.507 9.159 -1.748 610 HE2 LYS 84 2HE LYS 84 1.067 9.619 -3.248 611 HE3 LYS 84 1HE LYS 84 -0.243 8.562 -3.767 612 HZ1 LYS 84 3HZ LYS 84 -0.491 11.498 -3.350 613 HZ2 LYS 84 1HZ LYS 84 -1.700 10.463 -3.937 614 HZ3 LYS 84 2HZ LYS 84 -0.306 10.738 -4.849 615 H GLN 85 H GLN 85 -0.811 9.723 3.488 616 HA GLN 85 HA GLN 85 1.080 11.461 4.632 617 HB2 GLN 85 2HB GLN 85 -1.283 11.315 5.341 618 HB3 GLN 85 1HB GLN 85 -0.970 9.724 6.021 619 HG2 GLN 85 2HG GLN 85 0.571 10.684 7.624 620 HG3 GLN 85 1HG GLN 85 0.336 12.283 6.917 621 HE21 GLN 85 2HE2 GLN 85 -2.721 12.886 8.503 622 HE22 GLN 85 1HE2 GLN 85 -1.614 13.365 7.269 623 H ILE 86 H ILE 86 0.574 7.974 4.980 624 HA ILE 86 HA ILE 86 2.534 7.513 6.942 625 HB ILE 86 HB ILE 86 1.537 5.642 4.786 626 HG12 ILE 86 2HG1 ILE 86 0.670 5.984 7.666 627 HG13 ILE 86 1HG1 ILE 86 -0.231 6.540 6.257 628 HG21 ILE 86 1HG2 ILE 86 2.299 3.838 6.273 629 HG22 ILE 86 2HG2 ILE 86 3.022 5.037 7.345 630 HG23 ILE 86 3HG2 ILE 86 3.633 4.839 5.701 631 HD11 ILE 86 3HD1 ILE 86 -1.170 4.485 7.094 632 HD12 ILE 86 1HD1 ILE 86 0.395 3.681 6.971 633 HD13 ILE 86 2HD1 ILE 86 -0.444 4.208 5.512 634 H LEU 87 H LEU 87 2.726 7.474 3.389 635 HA LEU 87 HA LEU 87 5.516 6.752 3.448 636 HG LEU 87 HG LEU 87 2.708 8.109 1.415 637 HB2 LEU 87 2HB LEU 87 5.433 6.923 1.020 638 HB3 LEU 87 1HB LEU 87 4.132 5.934 1.641 639 HD11 LEU 87 1HD1 LEU 87 4.524 9.634 0.905 640 HD12 LEU 87 2HD1 LEU 87 3.412 9.522 -0.462 641 HD13 LEU 87 3HD1 LEU 87 4.956 8.673 -0.509 642 HD21 LEU 87 3HD2 LEU 87 2.152 7.489 -0.887 643 HD22 LEU 87 1HD2 LEU 87 2.331 6.074 0.153 644 HD23 LEU 87 2HD2 LEU 87 3.618 6.512 -0.969 645 H SER 88 H SER 88 3.896 9.571 4.007 646 HA SER 88 HA SER 88 5.918 11.300 2.815 647 HG SER 88 HG SER 88 5.107 13.649 4.288 648 HB2 SER 88 2HB SER 88 3.541 11.953 2.633 649 HB3 SER 88 1HB SER 88 3.435 12.031 4.391 650 H SER 89 H SER 89 6.093 9.432 5.334 651 HA SER 89 HA SER 89 6.641 10.949 7.582 652 HG SER 89 HG SER 89 9.105 8.864 8.597 653 HB2 SER 89 2HB SER 89 6.665 8.432 7.450 654 HB3 SER 89 1HB SER 89 8.256 8.543 6.697 655 H ARG 90 H ARG 90 8.364 12.101 8.311 656 HA ARG 90 HA ARG 90 9.872 13.758 8.092 657 HE ARG 90 HE ARG 90 13.531 10.973 9.841 658 HB2 ARG 90 2HB ARG 90 11.108 11.762 6.210 659 HB3 ARG 90 1HB ARG 90 11.833 13.336 6.498 660 HG2 ARG 90 2HG ARG 90 11.897 12.769 8.931 661 HG3 ARG 90 1HG ARG 90 11.377 11.139 8.500 662 HD2 ARG 90 2HD ARG 90 13.344 10.844 7.119 663 HD3 ARG 90 1HD ARG 90 13.846 12.503 7.439 664 HH11 ARG 90 1HH1 ARG 90 15.698 11.733 7.209 665 HH12 ARG 90 2HH1 ARG 90 17.136 11.287 8.072 666 HH21 ARG 90 2HH2 ARG 90 16.976 10.462 10.222 667 HH22 ARG 90 1HH2 ARG 90 15.420 10.338 10.991 668 HA PRO 91 HA PRO 91 8.049 15.569 4.341 669 HB2 PRO 91 1HB PRO 91 5.884 15.453 5.077 670 HB3 PRO 91 2HB PRO 91 6.179 17.105 5.621 671 HG2 PRO 91 2HG PRO 91 6.081 16.455 7.782 672 HG3 PRO 91 1HG PRO 91 5.636 14.833 7.235 673 HD2 PRO 91 2HD PRO 91 8.220 15.825 8.225 674 HD3 PRO 91 1HD PRO 91 7.632 14.155 8.085 675 H LYS 92 H LYS 92 9.907 16.784 3.981 676 HA LYS 92 HA LYS 92 10.497 19.005 5.730 677 HB2 LYS 92 2HB LYS 92 12.347 17.696 4.787 678 HB3 LYS 92 1HB LYS 92 11.846 18.148 3.164 679 HG2 LYS 92 2HG LYS 92 12.451 20.418 3.513 680 HG3 LYS 92 1HG LYS 92 12.669 20.157 5.246 681 HD2 LYS 92 2HD LYS 92 14.311 18.738 3.156 682 HD3 LYS 92 1HD LYS 92 14.787 20.285 3.864 683 HE2 LYS 92 2HE LYS 92 14.267 17.737 5.396 684 HE3 LYS 92 1HE LYS 92 15.859 18.379 4.990 685 HZ1 LYS 92 3HZ LYS 92 15.336 19.004 7.219 686 HZ2 LYS 92 1HZ LYS 92 13.827 19.627 6.762 687 HZ3 LYS 92 2HZ LYS 92 15.249 20.402 6.265 688 H LEU 93 H LEU 93 8.246 19.725 5.220 689 HA LEU 93 HA LEU 93 8.369 21.684 3.021 690 HG LEU 93 HG LEU 93 7.130 20.084 1.543 691 HB2 LEU 93 2HB LEU 93 5.939 20.407 4.285 692 HB3 LEU 93 1HB LEU 93 5.875 21.717 3.127 693 HD11 LEU 93 1HD1 LEU 93 5.938 18.136 3.512 694 HD12 LEU 93 2HD1 LEU 93 7.658 18.396 3.219 695 HD13 LEU 93 3HD1 LEU 93 6.637 17.730 1.945 696 HD21 LEU 93 3HD2 LEU 93 5.011 19.175 0.771 697 HD22 LEU 93 1HD2 LEU 93 4.834 20.868 1.232 698 HD23 LEU 93 2HD2 LEU 93 4.254 19.595 2.308 699 H HIS 94 H HIS 94 8.795 21.298 6.179 700 HA HIS 94 HA HIS 94 8.758 22.567 8.041 701 HD1 HIS 94 1HD HIS 94 8.147 26.947 7.489 702 HD2 HIS 94 2HD HIS 94 10.514 24.152 9.453 703 HE1 HIS 94 1HE HIS 94 8.846 28.044 9.643 704 HE2 HIS 94 2HE HIS 94 10.441 26.407 10.714 705 HB2 HIS 94 2HB HIS 94 9.983 24.099 6.474 706 HB3 HIS 94 1HB HIS 94 8.454 24.908 6.149 707 H ALA 95 H ALA 95 6.726 21.564 8.525 708 HA ALA 95 HA ALA 95 4.667 21.634 9.461 709 HB1 ALA 95 3HB ALA 95 4.673 24.593 8.884 710 HB2 ALA 95 1HB ALA 95 5.247 23.831 10.365 711 HB3 ALA 95 2HB ALA 95 3.542 23.733 9.929 712 H VAL 96 H VAL 96 2.696 21.107 8.740 713 HA VAL 96 HA VAL 96 1.904 21.992 6.053 714 HB VAL 96 HB VAL 96 1.590 19.160 7.087 715 HG11 VAL 96 1HG1 VAL 96 0.829 18.659 4.811 716 HG12 VAL 96 2HG1 VAL 96 0.982 20.364 4.385 717 HG13 VAL 96 3HG1 VAL 96 -0.206 19.860 5.584 718 HG21 VAL 96 3HG2 VAL 96 3.223 18.538 5.366 719 HG22 VAL 96 1HG2 VAL 96 3.925 19.621 6.569 720 HG23 VAL 96 2HG2 VAL 96 3.465 20.241 4.983 721 HA MET 1 HA MET 1 -17.246 11.747 -6.718 722 H1 MET 1 1H MET 1 -15.530 11.282 -8.427 723 H2 MET 1 2H MET 1 -15.288 9.766 -7.701 724 H3 MET 1 3H MET 1 -14.984 11.183 -6.827 725 HB2 MET 1 2HB MET 1 -17.881 11.104 -8.978 726 HB3 MET 1 1HB MET 1 -17.664 9.405 -8.588 727 HG2 MET 1 2HG MET 1 -19.519 9.512 -7.021 728 HG3 MET 1 1HG MET 1 -19.719 11.230 -7.357 729 HE1 MET 1 3HE MET 1 -18.814 8.426 -9.949 730 HE2 MET 1 1HE MET 1 -20.408 7.946 -10.537 731 HE3 MET 1 2HE MET 1 -19.937 7.589 -8.876 732 H GLY 2 H GLY 2 -17.252 11.312 -4.590 733 HA2 GLY 2 2HA GLY 2 -17.976 8.602 -3.789 734 HA3 GLY 2 1HA GLY 2 -16.469 9.227 -3.137 735 H SER 3 H SER 3 -19.243 11.263 -3.750 736 HA SER 3 HA SER 3 -19.463 11.706 -0.857 737 HG SER 3 HG SER 3 -18.576 14.266 -3.212 738 HB2 SER 3 2HB SER 3 -20.494 13.435 -3.119 739 HB3 SER 3 1HB SER 3 -20.451 13.855 -1.407 740 H SER 4 H SER 4 -20.995 10.516 0.040 741 HA SER 4 HA SER 4 -23.697 10.563 -1.011 742 HG SER 4 HG SER 4 -21.625 7.094 -1.186 743 HB2 SER 4 2HB SER 4 -23.868 8.040 -0.795 744 HB3 SER 4 1HB SER 4 -22.875 8.602 -2.141 745 H HIS 5 H HIS 5 -22.245 8.285 1.226 746 HA HIS 5 HA HIS 5 -23.201 9.835 3.544 747 HD1 HIS 5 1HD HIS 5 -23.541 5.833 5.543 748 HD2 HIS 5 2HD HIS 5 -25.159 9.669 5.463 749 HE1 HIS 5 1HE HIS 5 -24.354 6.282 7.884 750 HE2 HIS 5 2HE HIS 5 -25.385 8.583 7.804 751 HB2 HIS 5 2HB HIS 5 -24.777 7.926 2.979 752 HB3 HIS 5 1HB HIS 5 -23.443 6.821 3.288 753 H HIS 6 H HIS 6 -20.750 9.205 1.968 754 HA HIS 6 HA HIS 6 -19.110 7.554 3.676 755 HD1 HIS 6 1HD HIS 6 -16.620 8.942 -0.185 756 HD2 HIS 6 2HD HIS 6 -16.342 7.006 3.478 757 HE1 HIS 6 1HE HIS 6 -14.166 8.566 0.193 758 HE2 HIS 6 2HE HIS 6 -14.033 7.742 2.569 759 HB2 HIS 6 2HB HIS 6 -18.872 7.116 1.369 760 HB3 HIS 6 1HB HIS 6 -18.798 8.821 0.964 761 H HIS 7 H HIS 7 -18.794 8.747 5.525 762 HA HIS 7 HA HIS 7 -16.478 10.336 5.516 763 HD1 HIS 7 1HD HIS 7 -18.185 12.994 8.350 764 HD2 HIS 7 2HD HIS 7 -15.471 13.298 5.209 765 HE1 HIS 7 1HE HIS 7 -16.405 14.581 9.142 766 HE2 HIS 7 2HE HIS 7 -14.691 14.625 7.293 767 HB2 HIS 7 2HB HIS 7 -18.037 12.116 4.752 768 HB3 HIS 7 1HB HIS 7 -18.996 11.876 6.208 769 H HIS 8 H HIS 8 -15.710 9.088 7.118 770 HA HIS 8 HA HIS 8 -16.252 9.885 9.751 771 HD1 HIS 8 1HD HIS 8 -17.504 6.322 11.942 772 HD2 HIS 8 2HD HIS 8 -18.200 10.355 11.196 773 HE1 HIS 8 1HE HIS 8 -18.274 7.297 14.128 774 HE2 HIS 8 2HE HIS 8 -18.464 9.774 13.698 775 HB2 HIS 8 2HB HIS 8 -18.122 8.046 9.034 776 HB3 HIS 8 1HB HIS 8 -16.849 6.980 9.624 777 H HIS 9 H HIS 9 -14.825 8.674 11.309 778 HA HIS 9 HA HIS 9 -12.748 7.944 11.890 779 HD1 HIS 9 1HD HIS 9 -14.893 4.773 9.790 780 HD2 HIS 9 2HD HIS 9 -12.465 5.340 13.125 781 HE1 HIS 9 1HE HIS 9 -15.706 3.129 11.513 782 HE2 HIS 9 2HE HIS 9 -14.331 3.599 13.575 783 HB2 HIS 9 2HB HIS 9 -13.046 6.348 9.339 784 HB3 HIS 9 1HB HIS 9 -11.651 6.209 10.399 785 H HIS 10 H HIS 10 -10.468 7.413 10.319 786 HA HIS 10 HA HIS 10 -8.795 8.337 9.098 787 HD1 HIS 10 1HD HIS 10 -12.634 8.292 7.140 788 HD2 HIS 10 2HD HIS 10 -8.718 7.270 6.205 789 HE1 HIS 10 1HE HIS 10 -12.802 6.264 5.674 790 HE2 HIS 10 2HE HIS 10 -10.442 5.846 4.911 791 HB2 HIS 10 2HB HIS 10 -10.978 10.038 7.869 792 HB3 HIS 10 1HB HIS 10 -9.332 9.893 7.261 793 H SER 11 H SER 11 -9.328 9.285 11.688 794 HA SER 11 HA SER 11 -9.164 12.159 11.697 795 HG SER 11 HG SER 11 -8.048 12.620 14.002 796 HB2 SER 11 2HB SER 11 -10.217 10.898 13.561 797 HB3 SER 11 1HB SER 11 -8.648 10.196 13.949 798 H SER 12 H SER 12 -6.987 9.535 11.427 799 HA SER 12 HA SER 12 -4.766 9.399 11.029 800 HG SER 12 HG SER 12 -5.496 10.452 9.122 801 HB2 SER 12 2HB SER 12 -4.839 12.423 10.979 802 HB3 SER 12 1HB SER 12 -3.525 11.410 10.381 803 H GLY 13 H GLY 13 -2.736 9.461 12.103 804 HA2 GLY 13 2HA GLY 13 -2.982 9.986 14.955 805 HA3 GLY 13 1HA GLY 13 -1.637 9.189 14.148 806 H ARG 14 H ARG 14 -2.060 11.705 12.272 807 HA ARG 14 HA ARG 14 -1.147 13.743 11.946 808 HE ARG 14 HE ARG 14 -2.929 13.903 16.501 809 HB2 ARG 14 2HB ARG 14 -0.971 13.848 14.956 810 HB3 ARG 14 1HB ARG 14 -0.631 15.201 13.887 811 HG2 ARG 14 2HG ARG 14 -2.918 15.221 13.117 812 HG3 ARG 14 1HG ARG 14 -3.282 13.786 14.079 813 HD2 ARG 14 2HD ARG 14 -2.378 16.445 15.184 814 HD3 ARG 14 1HD ARG 14 -4.045 15.870 15.158 815 HH11 ARG 14 1HH1 ARG 14 -2.380 17.348 16.795 816 HH12 ARG 14 2HH1 ARG 14 -1.946 17.265 18.480 817 HH21 ARG 14 2HH2 ARG 14 -1.945 15.232 19.563 818 HH22 ARG 14 1HH2 ARG 14 -2.378 13.787 18.709 819 H GLU 15 H GLU 15 0.680 12.736 14.790 820 HA GLU 15 HA GLU 15 3.004 12.194 13.161 821 HB2 GLU 15 2HB GLU 15 4.394 13.738 14.692 822 HB3 GLU 15 1HB GLU 15 3.480 14.454 13.373 823 HG2 GLU 15 2HG GLU 15 1.695 15.035 14.975 824 HG3 GLU 15 1HG GLU 15 2.700 14.400 16.278 825 H ASN 16 H ASN 16 3.244 13.060 16.557 826 HA ASN 16 HA ASN 16 3.846 11.864 18.393 827 HB2 ASN 16 2HB ASN 16 1.534 10.907 17.934 828 HB3 ASN 16 1HB ASN 16 2.332 9.560 17.134 829 HD21 ASN 16 2HD2 ASN 16 2.126 7.923 20.193 830 HD22 ASN 16 1HD2 ASN 16 1.596 8.033 18.550 831 H LEU 17 H LEU 17 4.584 9.174 18.741 832 HA LEU 17 HA LEU 17 7.070 9.054 17.318 833 HG LEU 17 HG LEU 17 8.197 8.931 19.520 834 HB2 LEU 17 2HB LEU 17 5.756 7.178 19.282 835 HB3 LEU 17 1HB LEU 17 7.281 6.807 18.504 836 HD11 LEU 17 1HD1 LEU 17 5.680 8.786 21.171 837 HD12 LEU 17 2HD1 LEU 17 6.062 10.034 19.987 838 HD13 LEU 17 3HD1 LEU 17 7.046 9.869 21.442 839 HD21 LEU 17 3HD2 LEU 17 8.706 6.733 20.421 840 HD22 LEU 17 1HD2 LEU 17 7.230 6.774 21.387 841 HD23 LEU 17 2HD2 LEU 17 8.534 7.915 21.718 842 H TYR 18 H TYR 18 6.435 8.902 15.156 843 HA TYR 18 HA TYR 18 4.752 6.720 14.301 844 HD1 TYR 18 1HD TYR 18 2.837 8.452 13.733 845 HD2 TYR 18 2HD TYR 18 5.147 7.291 10.354 846 HE1 TYR 18 1HE TYR 18 0.770 8.001 12.481 847 HE2 TYR 18 2HE TYR 18 3.085 6.832 9.094 848 HH TYR 18 HH TYR 18 0.752 6.344 9.481 849 HB2 TYR 18 2HB TYR 18 5.326 9.207 13.285 850 HB3 TYR 18 1HB TYR 18 6.235 8.149 12.219 851 H PHE 19 H PHE 19 5.397 4.822 13.765 852 HA PHE 19 HA PHE 19 6.644 3.006 13.284 853 HD1 PHE 19 1HD PHE 19 6.541 2.150 11.165 854 HD2 PHE 19 2HD PHE 19 7.942 6.093 10.391 855 HE1 PHE 19 1HE PHE 19 5.206 2.209 9.095 856 HE2 PHE 19 2HE PHE 19 6.618 6.164 8.319 857 HZ PHE 19 HZ PHE 19 5.247 4.222 7.668 858 HB2 PHE 19 2HB PHE 19 8.667 5.013 12.273 859 HB3 PHE 19 1HB PHE 19 8.839 3.267 12.114 860 H GLN 20 H GLN 20 8.794 1.893 13.954 861 HA GLN 20 HA GLN 20 9.745 0.965 15.769 862 HB2 GLN 20 2HB GLN 20 10.062 3.849 16.606 863 HB3 GLN 20 1HB GLN 20 10.788 2.480 17.422 864 HG2 GLN 20 2HG GLN 20 11.905 1.920 15.230 865 HG3 GLN 20 1HG GLN 20 11.378 3.510 14.678 866 HE21 GLN 20 2HE2 GLN 20 13.756 3.779 17.969 867 HE22 GLN 20 1HE2 GLN 20 12.280 2.874 17.974 868 H GLY 21 H GLY 21 6.863 1.866 15.657 869 HA2 GLY 21 2HA GLY 21 5.807 0.606 17.826 870 HA3 GLY 21 1HA GLY 21 6.014 2.275 18.355 871 H MET 22 H MET 22 3.538 0.751 17.877 872 HA MET 22 HA MET 22 2.230 2.748 16.237 873 HB2 MET 22 2HB MET 22 2.501 -0.095 15.418 874 HB3 MET 22 1HB MET 22 0.932 0.662 15.181 875 HG2 MET 22 2HG MET 22 3.551 1.685 14.104 876 HG3 MET 22 1HG MET 22 2.334 0.798 13.185 877 HE1 MET 22 3HE MET 22 3.449 3.602 12.180 878 HE2 MET 22 1HE MET 22 1.945 4.382 11.691 879 HE3 MET 22 2HE MET 22 2.204 2.673 11.345 880 H THR 23 H THR 23 -0.085 2.709 16.455 881 HA THR 23 HA THR 23 -0.853 1.692 19.079 882 HB THR 23 HB THR 23 -2.877 3.283 18.591 883 HG1 THR 23 1HG THR 23 -2.673 4.222 16.694 884 HG21 THR 23 3HG2 THR 23 -1.194 3.645 20.336 885 HG22 THR 23 1HG2 THR 23 -1.626 5.159 19.542 886 HG23 THR 23 2HG2 THR 23 -0.108 4.356 19.144 887 H ASP 24 H ASP 24 -3.280 1.208 19.247 888 HA ASP 24 HA ASP 24 -3.753 -1.173 17.838 889 HB2 ASP 24 2HB ASP 24 -4.609 -0.838 20.066 890 HB3 ASP 24 1HB ASP 24 -5.570 0.538 19.537 891 H THR 25 H THR 25 -5.086 2.075 17.430 892 HA THR 25 HA THR 25 -7.088 1.344 15.558 893 HB THR 25 HB THR 25 -5.800 4.064 15.837 894 HG1 THR 25 1HG THR 25 -8.059 3.117 17.302 895 HG21 THR 25 3HG2 THR 25 -7.993 4.894 15.169 896 HG22 THR 25 1HG2 THR 25 -8.610 3.247 15.071 897 HG23 THR 25 2HG2 THR 25 -7.364 3.789 13.946 898 H ALA 26 H ALA 26 -3.701 2.041 15.248 899 HA ALA 26 HA ALA 26 -3.594 2.925 12.586 900 HB1 ALA 26 3HB ALA 26 -1.744 3.180 14.169 901 HB2 ALA 26 1HB ALA 26 -1.227 2.389 12.682 902 HB3 ALA 26 2HB ALA 26 -1.486 1.435 14.142 903 H ALA 27 H ALA 27 -3.981 -0.236 13.934 904 HA ALA 27 HA ALA 27 -3.021 -1.801 11.817 905 HB1 ALA 27 3HB ALA 27 -5.252 -2.439 13.740 906 HB2 ALA 27 1HB ALA 27 -3.533 -2.704 14.031 907 HB3 ALA 27 2HB ALA 27 -4.359 -3.599 12.756 908 H GLU 28 H GLU 28 -6.102 -0.204 12.343 909 HA GLU 28 HA GLU 28 -7.550 -1.590 10.331 910 HB2 GLU 28 2HB GLU 28 -8.562 -0.360 12.257 911 HB3 GLU 28 1HB GLU 28 -8.099 1.150 11.488 912 HG2 GLU 28 2HG GLU 28 -10.399 0.758 11.037 913 HG3 GLU 28 1HG GLU 28 -9.500 0.524 9.540 914 H ASP 29 H ASP 29 -5.844 1.516 10.400 915 HA ASP 29 HA ASP 29 -6.633 2.332 7.810 916 HB2 ASP 29 2HB ASP 29 -4.230 3.183 9.441 917 HB3 ASP 29 1HB ASP 29 -4.817 4.004 7.999 918 H VAL 30 H VAL 30 -3.781 0.600 9.005 919 HA VAL 30 HA VAL 30 -2.439 0.692 6.490 920 HB VAL 30 HB VAL 30 -1.903 -1.056 8.893 921 HG11 VAL 30 1HG1 VAL 30 -0.986 -2.097 6.893 922 HG12 VAL 30 2HG1 VAL 30 0.307 -1.442 7.899 923 HG13 VAL 30 3HG1 VAL 30 -0.204 -0.581 6.447 924 HG21 VAL 30 3HG2 VAL 30 -1.628 1.285 9.383 925 HG22 VAL 30 1HG2 VAL 30 -0.657 1.510 7.927 926 HG23 VAL 30 2HG2 VAL 30 -0.040 0.528 9.254 927 H ARG 31 H ARG 31 -4.473 -1.782 8.073 928 HA ARG 31 HA ARG 31 -4.077 -3.714 6.029 929 HE ARG 31 HE ARG 31 -9.193 -4.608 8.504 930 HB2 ARG 31 2HB ARG 31 -6.030 -4.876 6.914 931 HB3 ARG 31 1HB ARG 31 -4.983 -4.357 8.222 932 HG2 ARG 31 2HG ARG 31 -7.080 -3.890 9.038 933 HG3 ARG 31 1HG ARG 31 -6.582 -2.332 8.383 934 HD2 ARG 31 2HD ARG 31 -8.599 -2.388 7.391 935 HD3 ARG 31 1HD ARG 31 -7.775 -3.411 6.217 936 HH11 ARG 31 1HH1 ARG 31 -8.744 -4.240 5.047 937 HH12 ARG 31 2HH1 ARG 31 -9.932 -5.425 4.634 938 HH21 ARG 31 2HH2 ARG 31 -11.090 -6.531 6.306 939 HH22 ARG 31 1HH2 ARG 31 -10.775 -6.161 7.971 940 H LYS 32 H LYS 32 -6.123 -0.916 6.326 941 HA LYS 32 HA LYS 32 -7.952 -1.505 4.259 942 HB2 LYS 32 2HB LYS 32 -7.356 0.718 5.976 943 HB3 LYS 32 1HB LYS 32 -7.545 1.299 4.331 944 HG2 LYS 32 2HG LYS 32 -9.645 1.399 5.549 945 HG3 LYS 32 1HG LYS 32 -9.751 0.257 4.209 946 HD2 LYS 32 2HD LYS 32 -9.512 -1.602 5.705 947 HD3 LYS 32 1HD LYS 32 -9.181 -0.526 7.061 948 HE2 LYS 32 2HE LYS 32 -11.436 0.380 6.911 949 HE3 LYS 32 1HE LYS 32 -11.769 -0.642 5.515 950 HZ1 LYS 32 3HZ LYS 32 -12.575 -1.439 7.774 951 HZ2 LYS 32 1HZ LYS 32 -10.955 -1.794 8.119 952 HZ3 LYS 32 2HZ LYS 32 -11.744 -2.559 6.822 953 H ILE 33 H ILE 33 -4.937 0.411 4.242 954 HA ILE 33 HA ILE 33 -5.048 0.959 1.463 955 HB ILE 33 HB ILE 33 -2.728 1.682 1.638 956 HG12 ILE 33 2HG1 ILE 33 -2.820 0.637 4.479 957 HG13 ILE 33 1HG1 ILE 33 -1.925 -0.103 3.159 958 HG21 ILE 33 1HG2 ILE 33 -4.514 3.185 2.365 959 HG22 ILE 33 2HG2 ILE 33 -3.043 3.441 3.304 960 HG23 ILE 33 3HG2 ILE 33 -4.389 2.545 4.004 961 HD11 ILE 33 3HD1 ILE 33 -0.499 1.832 2.981 962 HD12 ILE 33 1HD1 ILE 33 -0.498 1.230 4.641 963 HD13 ILE 33 2HD1 ILE 33 -1.435 2.665 4.222 964 H ALA 34 H ALA 34 -3.649 -1.650 3.336 965 HA ALA 34 HA ALA 34 -2.183 -2.878 1.270 966 HB1 ALA 34 3HB ALA 34 -1.912 -3.442 3.648 967 HB2 ALA 34 1HB ALA 34 -2.199 -4.873 2.656 968 HB3 ALA 34 2HB ALA 34 -3.502 -4.204 3.640 969 H THR 35 H THR 35 -5.571 -2.962 2.131 970 HA THR 35 HA THR 35 -6.272 -5.189 0.508 971 HB THR 35 HB THR 35 -8.067 -2.939 1.461 972 HG1 THR 35 1HG THR 35 -6.832 -4.173 3.119 973 HG21 THR 35 3HG2 THR 35 -9.848 -4.636 1.281 974 HG22 THR 35 1HG2 THR 35 -8.678 -5.777 0.613 975 HG23 THR 35 2HG2 THR 35 -9.090 -4.311 -0.278 976 H ALA 36 H ALA 36 -5.837 -1.790 -0.068 977 HA ALA 36 HA ALA 36 -7.468 -1.359 -2.271 978 HB1 ALA 36 3HB ALA 36 -6.075 0.551 -2.768 979 HB2 ALA 36 1HB ALA 36 -4.786 -0.086 -1.749 980 HB3 ALA 36 2HB ALA 36 -6.314 0.419 -1.026 981 H LEU 37 H LEU 37 -4.069 -2.456 -2.245 982 HA LEU 37 HA LEU 37 -3.895 -2.452 -5.079 983 HG LEU 37 HG LEU 37 -2.650 -4.419 -2.221 984 HB2 LEU 37 2HB LEU 37 -1.784 -3.763 -4.704 985 HB3 LEU 37 1HB LEU 37 -1.851 -2.175 -3.977 986 HD11 LEU 37 1HD1 LEU 37 -0.760 -5.393 -3.464 987 HD12 LEU 37 2HD1 LEU 37 -0.351 -5.075 -1.778 988 HD13 LEU 37 3HD1 LEU 37 0.222 -3.989 -3.044 989 HD21 LEU 37 3HD2 LEU 37 -2.516 -2.094 -1.441 990 HD22 LEU 37 1HD2 LEU 37 -0.814 -2.045 -1.894 991 HD23 LEU 37 2HD2 LEU 37 -1.353 -3.122 -0.608 992 H LEU 38 H LEU 38 -4.855 -4.857 -2.739 993 HA LEU 38 HA LEU 38 -4.831 -7.010 -4.658 994 HG LEU 38 HG LEU 38 -3.883 -8.641 -3.167 995 HB2 LEU 38 2HB LEU 38 -5.789 -6.717 -1.843 996 HB3 LEU 38 1HB LEU 38 -6.320 -8.086 -2.796 997 HD11 LEU 38 1HD1 LEU 38 -3.473 -6.672 -0.922 998 HD12 LEU 38 2HD1 LEU 38 -2.960 -6.438 -2.593 999 HD13 LEU 38 3HD1 LEU 38 -2.255 -7.734 -1.627 1000 HD21 LEU 38 3HD2 LEU 38 -3.635 -9.659 -0.946 1001 HD22 LEU 38 1HD2 LEU 38 -5.255 -9.877 -1.608 1002 HD23 LEU 38 2HD2 LEU 38 -4.968 -8.667 -0.357 1003 H LYS 39 H LYS 39 -7.039 -4.547 -3.714 1004 HA LYS 39 HA LYS 39 -9.395 -6.042 -4.444 1005 HB2 LYS 39 2HB LYS 39 -9.436 -4.492 -2.540 1006 HB3 LYS 39 1HB LYS 39 -9.091 -3.151 -3.625 1007 HG2 LYS 39 2HG LYS 39 -11.433 -3.166 -3.109 1008 HG3 LYS 39 1HG LYS 39 -11.214 -3.611 -4.804 1009 HD2 LYS 39 2HD LYS 39 -11.411 -5.989 -4.175 1010 HD3 LYS 39 1HD LYS 39 -11.717 -5.500 -2.506 1011 HE2 LYS 39 2HE LYS 39 -13.686 -4.206 -3.333 1012 HE3 LYS 39 1HE LYS 39 -13.414 -4.910 -4.928 1013 HZ1 LYS 39 3HZ LYS 39 -14.046 -6.385 -2.432 1014 HZ2 LYS 39 1HZ LYS 39 -13.676 -7.121 -3.911 1015 HZ3 LYS 39 2HZ LYS 39 -15.070 -6.170 -3.759 1016 H THR 40 H THR 40 -7.902 -3.010 -5.636 1017 HA THR 40 HA THR 40 -9.375 -3.452 -8.139 1018 HB THR 40 HB THR 40 -10.755 -2.019 -6.720 1019 HG1 THR 40 1HG THR 40 -10.608 -1.668 -9.069 1020 HG21 THR 40 3HG2 THR 40 -9.006 -0.995 -5.374 1021 HG22 THR 40 1HG2 THR 40 -10.031 0.235 -6.114 1022 HG23 THR 40 2HG2 THR 40 -8.434 -0.101 -6.781 1023 H ALA 41 H ALA 41 -6.444 -2.800 -6.756 1024 HA ALA 41 HA ALA 41 -5.348 -0.874 -8.499 1025 HB1 ALA 41 3HB ALA 41 -4.213 -1.581 -6.445 1026 HB2 ALA 41 1HB ALA 41 -3.167 -1.732 -7.855 1027 HB3 ALA 41 2HB ALA 41 -3.921 -3.167 -7.159 1028 H ILE 42 H ILE 42 -5.913 -4.296 -8.823 1029 HA ILE 42 HA ILE 42 -4.634 -4.375 -11.443 1030 HB ILE 42 HB ILE 42 -6.040 -6.557 -9.885 1031 HG12 ILE 42 2HG1 ILE 42 -3.082 -6.094 -10.351 1032 HG13 ILE 42 1HG1 ILE 42 -3.935 -5.731 -8.850 1033 HG21 ILE 42 1HG2 ILE 42 -4.994 -8.086 -11.517 1034 HG22 ILE 42 2HG2 ILE 42 -4.425 -6.689 -12.430 1035 HG23 ILE 42 3HG2 ILE 42 -6.154 -6.988 -12.262 1036 HD11 ILE 42 3HD1 ILE 42 -3.638 -8.460 -10.092 1037 HD12 ILE 42 1HD1 ILE 42 -4.452 -8.091 -8.572 1038 HD13 ILE 42 2HD1 ILE 42 -2.714 -7.837 -8.726 1039 H GLU 43 H GLU 43 -5.784 -3.732 -13.144 1040 HA GLU 43 HA GLU 43 -8.681 -4.283 -13.180 1041 HB2 GLU 43 2HB GLU 43 -8.008 -1.839 -13.063 1042 HB3 GLU 43 1HB GLU 43 -7.279 -2.043 -14.648 1043 HG2 GLU 43 2HG GLU 43 -9.368 -1.102 -15.069 1044 HG3 GLU 43 1HG GLU 43 -9.568 -2.816 -15.429 1045 H ILE 44 H ILE 44 -9.547 -4.768 -15.333 1046 HA ILE 44 HA ILE 44 -7.530 -6.201 -16.904 1047 HB ILE 44 HB ILE 44 -9.270 -7.628 -15.986 1048 HG12 ILE 44 2HG1 ILE 44 -9.693 -7.331 -18.962 1049 HG13 ILE 44 1HG1 ILE 44 -8.271 -8.081 -18.243 1050 HG21 ILE 44 1HG2 ILE 44 -11.604 -7.442 -16.739 1051 HG22 ILE 44 2HG2 ILE 44 -11.204 -5.928 -17.550 1052 HG23 ILE 44 3HG2 ILE 44 -11.090 -6.042 -15.794 1053 HD11 ILE 44 3HD1 ILE 44 -11.107 -9.021 -17.918 1054 HD12 ILE 44 1HD1 ILE 44 -9.677 -9.776 -17.212 1055 HD13 ILE 44 2HD1 ILE 44 -9.886 -9.742 -18.965 1056 H VAL 45 H VAL 45 -7.069 -5.610 -18.916 1057 HA VAL 45 HA VAL 45 -8.734 -3.534 -20.153 1058 HB VAL 45 HB VAL 45 -6.778 -3.171 -21.678 1059 HG11 VAL 45 1HG1 VAL 45 -5.405 -1.994 -20.004 1060 HG12 VAL 45 2HG1 VAL 45 -6.275 -2.838 -18.722 1061 HG13 VAL 45 3HG1 VAL 45 -7.132 -1.714 -19.775 1062 HG21 VAL 45 3HG2 VAL 45 -5.380 -5.035 -19.759 1063 HG22 VAL 45 1HG2 VAL 45 -4.587 -4.056 -20.994 1064 HG23 VAL 45 2HG2 VAL 45 -5.699 -5.342 -21.466 1065 H SER 46 H SER 46 -9.872 -3.962 -21.931 1066 HA SER 46 HA SER 46 -9.895 -6.717 -22.835 1067 HG SER 46 HG SER 46 -12.730 -4.910 -21.707 1068 HB2 SER 46 2HB SER 46 -11.758 -4.431 -23.505 1069 HB3 SER 46 1HB SER 46 -12.011 -6.129 -23.910 1070 H GLU 47 H GLU 47 -10.039 -7.262 -25.086 1071 HA GLU 47 HA GLU 47 -8.413 -5.570 -26.817 1072 HB2 GLU 47 2HB GLU 47 -9.558 -8.350 -27.175 1073 HB3 GLU 47 1HB GLU 47 -8.633 -7.508 -28.412 1074 HG2 GLU 47 2HG GLU 47 -6.704 -7.426 -26.913 1075 HG3 GLU 47 1HG GLU 47 -7.634 -8.270 -25.675 1076 H GLU 48 H GLU 48 -9.697 -6.432 -29.277 1077 HA GLU 48 HA GLU 48 -11.707 -4.410 -29.391 1078 HB2 GLU 48 2HB GLU 48 -10.189 -4.867 -31.273 1079 HB3 GLU 48 1HB GLU 48 -10.912 -6.459 -31.459 1080 HG2 GLU 48 2HG GLU 48 -13.005 -5.504 -32.099 1081 HG3 GLU 48 1HG GLU 48 -12.433 -3.879 -31.721 1082 H ASP 49 H ASP 49 -11.746 -7.928 -29.734 1083 HA ASP 49 HA ASP 49 -14.460 -8.020 -28.724 1084 HB2 ASP 49 2HB ASP 49 -14.795 -7.556 -31.118 1085 HB3 ASP 49 1HB ASP 49 -13.855 -8.988 -31.525 1086 H GLY 50 H GLY 50 -11.531 -9.614 -29.696 1087 HA2 GLY 50 2HA GLY 50 -12.323 -12.290 -29.455 1088 HA3 GLY 50 1HA GLY 50 -10.679 -11.697 -29.319 1089 H GLY 51 H GLY 51 -11.165 -10.042 -26.984 1090 HA2 GLY 51 2HA GLY 51 -12.403 -11.285 -24.864 1091 HA3 GLY 51 1HA GLY 51 -10.813 -12.028 -24.982 1092 H ALA 52 H ALA 52 -10.119 -11.192 -23.029 1093 HA ALA 52 HA ALA 52 -9.284 -8.397 -23.144 1094 HB1 ALA 52 3HB ALA 52 -11.413 -8.349 -21.951 1095 HB2 ALA 52 1HB ALA 52 -10.072 -7.950 -20.875 1096 HB3 ALA 52 2HB ALA 52 -10.809 -9.552 -20.809 1097 H HIS 53 H HIS 53 -7.751 -7.919 -21.275 1098 HA HIS 53 HA HIS 53 -6.248 -10.334 -20.520 1099 HD1 HIS 53 1HD HIS 53 -3.579 -11.093 -22.211 1100 HD2 HIS 53 2HD HIS 53 -6.220 -8.529 -24.146 1101 HE1 HIS 53 1HE HIS 53 -3.864 -12.022 -24.521 1102 HE2 HIS 53 2HE HIS 53 -5.620 -10.573 -25.599 1103 HB2 HIS 53 2HB HIS 53 -5.114 -7.766 -21.643 1104 HB3 HIS 53 1HB HIS 53 -4.141 -9.010 -20.862 1105 H ASN 54 H ASN 54 -6.289 -10.468 -18.404 1106 HA ASN 54 HA ASN 54 -6.595 -8.097 -16.746 1107 HB2 ASN 54 2HB ASN 54 -7.845 -10.194 -16.254 1108 HB3 ASN 54 1HB ASN 54 -6.314 -11.006 -15.943 1109 HD21 ASN 54 2HD2 ASN 54 -6.986 -10.271 -12.598 1110 HD22 ASN 54 1HD2 ASN 54 -6.934 -11.479 -13.835 1111 H GLN 55 H GLN 55 -4.886 -6.993 -16.001 1112 HA GLN 55 HA GLN 55 -2.280 -8.346 -16.190 1113 HB2 GLN 55 2HB GLN 55 -1.362 -6.011 -16.525 1114 HB3 GLN 55 1HB GLN 55 -2.322 -6.670 -17.841 1115 HG2 GLN 55 2HG GLN 55 -4.263 -5.375 -17.010 1116 HG3 GLN 55 1HG GLN 55 -3.213 -4.647 -15.795 1117 HE21 GLN 55 2HE2 GLN 55 -2.830 -2.064 -18.115 1118 HE22 GLN 55 1HE2 GLN 55 -3.537 -2.571 -16.621 1119 H CYS 56 H CYS 56 -1.398 -8.807 -14.331 1120 HA CYS 56 HA CYS 56 -2.101 -7.376 -11.920 1121 HG CYS 56 HG CYS 56 -2.778 -10.395 -12.999 1122 HB2 CYS 56 2HB CYS 56 -0.074 -9.581 -12.377 1123 HB3 CYS 56 1HB CYS 56 -0.578 -8.968 -10.805 1124 H LYS 57 H LYS 57 -1.382 -5.347 -12.115 1125 HA LYS 57 HA LYS 57 0.844 -4.442 -13.472 1126 HB2 LYS 57 2HB LYS 57 -0.451 -3.102 -11.099 1127 HB3 LYS 57 1HB LYS 57 0.460 -2.321 -12.382 1128 HG2 LYS 57 2HG LYS 57 -2.131 -3.798 -12.779 1129 HG3 LYS 57 1HG LYS 57 -1.981 -2.049 -12.603 1130 HD2 LYS 57 2HD LYS 57 -0.561 -3.630 -14.738 1131 HD3 LYS 57 1HD LYS 57 -2.145 -2.889 -14.971 1132 HE2 LYS 57 2HE LYS 57 0.417 -1.462 -14.267 1133 HE3 LYS 57 1HE LYS 57 -0.388 -1.449 -15.837 1134 HZ1 LYS 57 3HZ LYS 57 -1.002 0.536 -14.760 1135 HZ2 LYS 57 1HZ LYS 57 -1.338 -0.255 -13.297 1136 HZ3 LYS 57 2HZ LYS 57 -2.355 -0.483 -14.637 1137 H LEU 58 H LEU 58 0.565 -5.156 -10.006 1138 HA LEU 58 HA LEU 58 3.161 -4.087 -9.445 1139 HG LEU 58 HG LEU 58 2.592 -2.850 -7.417 1140 HB2 LEU 58 2HB LEU 58 1.020 -5.393 -7.841 1141 HB3 LEU 58 1HB LEU 58 2.636 -5.322 -7.171 1142 HD11 LEU 58 1HD1 LEU 58 0.481 -1.719 -7.820 1143 HD12 LEU 58 2HD1 LEU 58 -0.305 -3.267 -8.136 1144 HD13 LEU 58 3HD1 LEU 58 0.955 -2.678 -9.221 1145 HD21 LEU 58 3HD2 LEU 58 2.038 -3.899 -5.295 1146 HD22 LEU 58 1HD2 LEU 58 0.351 -4.045 -5.793 1147 HD23 LEU 58 2HD2 LEU 58 1.064 -2.451 -5.552 1148 H CYS 59 H CYS 59 2.085 -7.102 -10.572 1149 HA CYS 59 HA CYS 59 4.486 -8.442 -9.543 1150 HG CYS 59 HG CYS 59 1.554 -10.864 -8.313 1151 HB2 CYS 59 2HB CYS 59 2.179 -9.710 -11.019 1152 HB3 CYS 59 1HB CYS 59 3.442 -10.526 -10.109 1153 H GLY 60 H GLY 60 2.977 -7.241 -12.427 1154 HA2 GLY 60 2HA GLY 60 3.989 -6.795 -14.473 1155 HA3 GLY 60 1HA GLY 60 5.433 -7.628 -13.912 1156 H ALA 61 H ALA 61 2.181 -8.961 -13.910 1157 HA ALA 61 HA ALA 61 2.910 -10.718 -16.137 1158 HB1 ALA 61 3HB ALA 61 1.839 -11.681 -13.487 1159 HB2 ALA 61 1HB ALA 61 3.461 -11.955 -14.122 1160 HB3 ALA 61 2HB ALA 61 2.067 -12.676 -14.925 1161 H SER 62 H SER 62 1.259 -11.175 -17.497 1162 HA SER 62 HA SER 62 -1.398 -10.145 -16.743 1163 HG SER 62 HG SER 62 0.755 -8.495 -18.484 1164 HB2 SER 62 2HB SER 62 -0.127 -10.210 -19.493 1165 HB3 SER 62 1HB SER 62 -1.748 -9.622 -19.127 1166 H VAL 63 H VAL 63 -3.192 -11.346 -17.297 1167 HA VAL 63 HA VAL 63 -2.756 -13.927 -18.630 1168 HB VAL 63 HB VAL 63 -2.774 -14.344 -16.192 1169 HG11 VAL 63 1HG1 VAL 63 -4.827 -14.028 -14.889 1170 HG12 VAL 63 2HG1 VAL 63 -5.552 -13.176 -16.255 1171 HG13 VAL 63 3HG1 VAL 63 -4.141 -12.497 -15.439 1172 HG21 VAL 63 3HG2 VAL 63 -3.610 -16.067 -17.678 1173 HG22 VAL 63 1HG2 VAL 63 -5.228 -15.370 -17.608 1174 HG23 VAL 63 2HG2 VAL 63 -4.506 -16.071 -16.160 1175 HA PRO 64 HA PRO 64 -6.222 -12.638 -21.129 1176 HB2 PRO 64 1HB PRO 64 -6.167 -14.414 -22.520 1177 HB3 PRO 64 2HB PRO 64 -7.266 -15.241 -21.416 1178 HG2 PRO 64 2HG PRO 64 -5.582 -16.416 -20.408 1179 HG3 PRO 64 1HG PRO 64 -4.762 -16.132 -21.953 1180 HD2 PRO 64 2HD PRO 64 -3.675 -15.370 -19.618 1181 HD3 PRO 64 1HD PRO 64 -3.477 -14.401 -21.094 1182 H TRP 65 H TRP 65 -8.498 -12.582 -21.081 1183 HA TRP 65 HA TRP 65 -9.669 -11.886 -18.763 1184 HD1 TRP 65 HD TRP 65 -11.689 -11.846 -17.696 1185 HE1 TRP 65 1HE TRP 65 -14.047 -10.848 -17.407 1186 HE3 TRP 65 3HE TRP 65 -13.060 -11.619 -22.609 1187 HZ2 TRP 65 2HZ TRP 65 -16.198 -10.069 -19.059 1188 HZ3 TRP 65 3HZ TRP 65 -15.287 -10.732 -23.174 1189 HH2 TRP 65 HH TRP 65 -16.823 -9.973 -21.434 1190 HB2 TRP 65 2HB TRP 65 -10.549 -11.632 -21.128 1191 HB3 TRP 65 1HB TRP 65 -11.202 -13.257 -20.971 1192 H LEU 66 H LEU 66 -10.460 -15.023 -20.265 1193 HA LEU 66 HA LEU 66 -10.657 -16.104 -17.540 1194 HG LEU 66 HG LEU 66 -12.799 -15.236 -17.328 1195 HB2 LEU 66 2HB LEU 66 -12.479 -16.652 -19.870 1196 HB3 LEU 66 1HB LEU 66 -12.394 -17.703 -18.470 1197 HD11 LEU 66 1HD1 LEU 66 -14.682 -14.243 -18.530 1198 HD12 LEU 66 2HD1 LEU 66 -14.440 -15.387 -19.848 1199 HD13 LEU 66 3HD1 LEU 66 -13.196 -14.192 -19.481 1200 HD21 LEU 66 3HD2 LEU 66 -13.862 -17.354 -16.721 1201 HD22 LEU 66 1HD2 LEU 66 -14.878 -17.252 -18.157 1202 HD23 LEU 66 2HD2 LEU 66 -15.042 -16.050 -16.875 1203 H GLN 67 H GLN 67 -8.607 -16.893 -17.576 1204 HA GLN 67 HA GLN 67 -8.350 -19.397 -19.115 1205 HB2 GLN 67 2HB GLN 67 -6.686 -17.791 -19.927 1206 HB3 GLN 67 1HB GLN 67 -6.142 -17.494 -18.281 1207 HG2 GLN 67 2HG GLN 67 -5.513 -19.924 -18.161 1208 HG3 GLN 67 1HG GLN 67 -5.839 -20.015 -19.891 1209 HE21 GLN 67 2HE2 GLN 67 -2.447 -18.295 -18.484 1210 HE22 GLN 67 1HE2 GLN 67 -3.723 -18.799 -17.429 1211 H THR 68 H THR 68 -7.198 -17.605 -16.309 1212 HA THR 68 HA THR 68 -8.012 -19.307 -14.310 1213 HB THR 68 HB THR 68 -6.488 -20.986 -15.360 1214 HG1 THR 68 1HG THR 68 -5.735 -21.666 -13.424 1215 HG21 THR 68 3HG2 THR 68 -4.046 -20.674 -15.133 1216 HG22 THR 68 1HG2 THR 68 -4.325 -19.013 -14.614 1217 HG23 THR 68 2HG2 THR 68 -4.772 -19.512 -16.245 1218 H GLY 69 H GLY 69 -7.257 -18.560 -12.244 1219 HA2 GLY 69 2HA GLY 69 -5.955 -15.940 -12.395 1220 HA3 GLY 69 1HA GLY 69 -6.799 -16.598 -11.003 1221 H ASP 70 H ASP 70 -4.728 -18.793 -12.506 1222 HA ASP 70 HA ASP 70 -2.653 -18.299 -10.482 1223 HB2 ASP 70 2HB ASP 70 -3.977 -20.456 -10.311 1224 HB3 ASP 70 1HB ASP 70 -3.241 -20.940 -11.836 1225 H GLU 71 H GLU 71 -0.609 -19.808 -11.477 1226 HA GLU 71 HA GLU 71 1.202 -19.670 -12.753 1227 HB2 GLU 71 2HB GLU 71 -0.752 -19.152 -14.987 1228 HB3 GLU 71 1HB GLU 71 0.917 -19.660 -15.142 1229 HG2 GLU 71 2HG GLU 71 0.284 -21.689 -13.768 1230 HG3 GLU 71 1HG GLU 71 -1.389 -21.217 -14.066 1231 H ILE 72 H ILE 72 -0.403 -17.098 -11.868 1232 HA ILE 72 HA ILE 72 1.061 -15.107 -13.362 1233 HB ILE 72 HB ILE 72 -0.579 -14.859 -10.827 1234 HG12 ILE 72 2HG1 ILE 72 -1.914 -15.461 -12.798 1235 HG13 ILE 72 1HG1 ILE 72 -2.264 -13.815 -12.275 1236 HG21 ILE 72 1HG2 ILE 72 0.626 -12.710 -12.564 1237 HG22 ILE 72 2HG2 ILE 72 1.102 -13.118 -10.916 1238 HG23 ILE 72 3HG2 ILE 72 -0.494 -12.435 -11.229 1239 HD11 ILE 72 3HD1 ILE 72 -0.826 -12.953 -14.056 1240 HD12 ILE 72 1HD1 ILE 72 -2.128 -13.956 -14.695 1241 HD13 ILE 72 2HD1 ILE 72 -0.492 -14.604 -14.580 1242 H LYS 73 H LYS 73 3.203 -15.468 -13.098 1243 HA LYS 73 HA LYS 73 4.397 -16.448 -10.762 1244 HB2 LYS 73 2HB LYS 73 5.408 -16.579 -13.028 1245 HB3 LYS 73 1HB LYS 73 5.725 -14.851 -12.960 1246 HG2 LYS 73 2HG LYS 73 7.677 -16.334 -12.423 1247 HG3 LYS 73 1HG LYS 73 7.291 -15.117 -11.204 1248 HD2 LYS 73 2HD LYS 73 6.180 -16.762 -9.839 1249 HD3 LYS 73 1HD LYS 73 6.373 -17.987 -11.093 1250 HE2 LYS 73 2HE LYS 73 8.701 -16.603 -9.787 1251 HE3 LYS 73 1HE LYS 73 7.998 -18.093 -9.158 1252 HZ1 LYS 73 3HZ LYS 73 8.503 -19.183 -11.238 1253 HZ2 LYS 73 1HZ LYS 73 9.916 -18.514 -10.582 1254 HZ3 LYS 73 2HZ LYS 73 9.136 -17.756 -11.885 1255 H HIS 74 H HIS 74 4.106 -15.423 -8.925 1256 HA HIS 74 HA HIS 74 4.006 -12.587 -8.705 1257 HD1 HIS 74 1HD HIS 74 3.715 -16.636 -7.057 1258 HD2 HIS 74 2HD HIS 74 5.659 -13.858 -4.642 1259 HE1 HIS 74 1HE HIS 74 5.068 -17.983 -5.422 1260 HE2 HIS 74 2HE HIS 74 6.296 -16.287 -4.019 1261 HB2 HIS 74 2HB HIS 74 3.693 -12.929 -6.345 1262 HB3 HIS 74 1HB HIS 74 2.770 -14.162 -7.190 1263 H ALA 75 H ALA 75 5.532 -11.172 -8.104 1264 HA ALA 75 HA ALA 75 8.280 -11.997 -8.049 1265 HB1 ALA 75 3HB ALA 75 7.664 -9.909 -9.111 1266 HB2 ALA 75 1HB ALA 75 8.718 -9.579 -7.735 1267 HB3 ALA 75 2HB ALA 75 6.978 -9.311 -7.604 1268 H ASP 76 H ASP 76 9.556 -12.223 -6.254 1269 HA ASP 76 HA ASP 76 8.190 -12.669 -3.774 1270 HB2 ASP 76 2HB ASP 76 10.098 -14.071 -4.612 1271 HB3 ASP 76 1HB ASP 76 11.170 -12.713 -4.283 1272 H ASP 77 H ASP 77 9.922 -10.079 -5.190 1273 HA ASP 77 HA ASP 77 10.417 -8.782 -2.609 1274 HB2 ASP 77 2HB ASP 77 12.239 -8.961 -4.291 1275 HB3 ASP 77 1HB ASP 77 11.301 -7.952 -5.381 1276 H CYS 78 H CYS 78 7.933 -8.920 -4.728 1277 HA CYS 78 HA CYS 78 7.327 -6.132 -5.030 1278 HG CYS 78 HG CYS 78 5.744 -10.012 -4.905 1279 HB2 CYS 78 2HB CYS 78 5.274 -6.815 -6.054 1280 HB3 CYS 78 1HB CYS 78 6.525 -7.920 -6.605 1281 HA PRO 79 HA PRO 79 5.280 -5.282 -1.227 1282 HB2 PRO 79 1HB PRO 79 4.529 -3.166 -1.517 1283 HB3 PRO 79 2HB PRO 79 3.273 -3.680 -2.644 1284 HG2 PRO 79 2HG PRO 79 4.663 -2.599 -4.144 1285 HG3 PRO 79 1HG PRO 79 6.113 -2.927 -3.177 1286 HD2 PRO 79 2HD PRO 79 4.631 -4.743 -5.041 1287 HD3 PRO 79 1HD PRO 79 6.383 -4.512 -4.854 1288 H VAL 80 H VAL 80 3.636 -6.886 -3.740 1289 HA VAL 80 HA VAL 80 1.013 -6.971 -2.682 1290 HB VAL 80 HB VAL 80 2.361 -8.993 -4.476 1291 HG11 VAL 80 1HG1 VAL 80 0.089 -9.580 -5.173 1292 HG12 VAL 80 2HG1 VAL 80 -0.565 -8.459 -3.979 1293 HG13 VAL 80 3HG1 VAL 80 0.343 -9.880 -3.456 1294 HG21 VAL 80 3HG2 VAL 80 1.302 -7.763 -6.319 1295 HG22 VAL 80 1HG2 VAL 80 2.462 -6.770 -5.435 1296 HG23 VAL 80 2HG2 VAL 80 0.733 -6.552 -5.169 1297 H VAL 81 H VAL 81 3.780 -9.159 -2.371 1298 HA VAL 81 HA VAL 81 2.489 -11.273 -1.067 1299 HB VAL 81 HB VAL 81 5.379 -10.435 -0.742 1300 HG11 VAL 81 1HG1 VAL 81 4.038 -13.107 -0.327 1301 HG12 VAL 81 2HG1 VAL 81 4.675 -12.058 0.939 1302 HG13 VAL 81 3HG1 VAL 81 5.772 -12.800 -0.225 1303 HG21 VAL 81 3HG2 VAL 81 5.840 -12.012 -2.563 1304 HG22 VAL 81 1HG2 VAL 81 4.778 -10.706 -3.095 1305 HG23 VAL 81 2HG2 VAL 81 4.110 -12.301 -2.747 1306 H ILE 82 H ILE 82 4.273 -8.530 0.322 1307 HA ILE 82 HA ILE 82 3.900 -9.343 3.006 1308 HB ILE 82 HB ILE 82 5.719 -7.879 2.387 1309 HG12 ILE 82 2HG1 ILE 82 5.389 -6.067 4.099 1310 HG13 ILE 82 1HG1 ILE 82 3.736 -6.640 4.275 1311 HG21 ILE 82 1HG2 ILE 82 5.372 -5.517 1.834 1312 HG22 ILE 82 2HG2 ILE 82 3.636 -5.819 1.729 1313 HG23 ILE 82 3HG2 ILE 82 4.739 -6.612 0.605 1314 HD11 ILE 82 3HD1 ILE 82 5.147 -7.528 6.024 1315 HD12 ILE 82 1HD1 ILE 82 6.233 -8.224 4.824 1316 HD13 ILE 82 2HD1 ILE 82 4.583 -8.830 4.975 1317 H ALA 83 H ALA 83 2.215 -7.028 0.941 1318 HA ALA 83 HA ALA 83 0.510 -5.973 2.902 1319 HB1 ALA 83 3HB ALA 83 -0.830 -5.128 1.050 1320 HB2 ALA 83 1HB ALA 83 0.024 -6.195 -0.063 1321 HB3 ALA 83 2HB ALA 83 0.892 -4.890 0.747 1322 H LYS 84 H LYS 84 0.021 -8.668 0.628 1323 HA LYS 84 HA LYS 84 -2.679 -9.114 1.309 1324 HB2 LYS 84 2HB LYS 84 -2.584 -11.051 0.000 1325 HB3 LYS 84 1HB LYS 84 -1.427 -9.964 -0.748 1326 HG2 LYS 84 2HG LYS 84 0.370 -11.175 0.524 1327 HG3 LYS 84 1HG LYS 84 -0.859 -12.348 0.994 1328 HD2 LYS 84 2HD LYS 84 0.060 -11.688 -1.797 1329 HD3 LYS 84 1HD LYS 84 0.328 -13.188 -0.915 1330 HE2 LYS 84 2HE LYS 84 -2.365 -12.119 -1.759 1331 HE3 LYS 84 1HE LYS 84 -1.464 -13.373 -2.606 1332 HZ1 LYS 84 3HZ LYS 84 -1.614 -14.751 -0.595 1333 HZ2 LYS 84 1HZ LYS 84 -3.145 -14.346 -1.206 1334 HZ3 LYS 84 2HZ LYS 84 -2.542 -13.548 0.162 1335 H GLN 85 H GLN 85 0.292 -10.090 2.778 1336 HA GLN 85 HA GLN 85 -0.838 -12.158 4.412 1337 HB2 GLN 85 2HB GLN 85 1.566 -12.052 3.749 1338 HB3 GLN 85 1HB GLN 85 1.754 -10.649 4.791 1339 HG2 GLN 85 2HG GLN 85 1.197 -11.984 6.734 1340 HG3 GLN 85 1HG GLN 85 0.926 -13.395 5.713 1341 HE21 GLN 85 2HE2 GLN 85 4.314 -14.164 5.296 1342 HE22 GLN 85 1HE2 GLN 85 2.690 -14.406 4.750 1343 H ILE 86 H ILE 86 -0.031 -8.741 4.839 1344 HA ILE 86 HA ILE 86 -0.477 -8.592 7.612 1345 HB ILE 86 HB ILE 86 -0.755 -6.440 5.515 1346 HG12 ILE 86 2HG1 ILE 86 1.536 -7.098 7.377 1347 HG13 ILE 86 1HG1 ILE 86 1.483 -7.473 5.660 1348 HG21 ILE 86 1HG2 ILE 86 -0.564 -6.172 8.515 1349 HG22 ILE 86 2HG2 ILE 86 -1.958 -5.779 7.508 1350 HG23 ILE 86 3HG2 ILE 86 -0.474 -4.842 7.361 1351 HD11 ILE 86 3HD1 ILE 86 1.439 -4.710 6.846 1352 HD12 ILE 86 1HD1 ILE 86 1.415 -5.101 5.127 1353 HD13 ILE 86 2HD1 ILE 86 2.830 -5.501 6.104 1354 H LEU 87 H LEU 87 -2.687 -8.033 4.880 1355 HA LEU 87 HA LEU 87 -4.859 -7.289 6.593 1356 HG LEU 87 HG LEU 87 -3.746 -8.504 3.291 1357 HB2 LEU 87 2HB LEU 87 -6.210 -7.330 4.530 1358 HB3 LEU 87 1HB LEU 87 -4.761 -6.359 4.386 1359 HD11 LEU 87 1HD1 LEU 87 -5.612 -9.985 3.783 1360 HD12 LEU 87 2HD1 LEU 87 -5.388 -9.813 2.041 1361 HD13 LEU 87 3HD1 LEU 87 -6.694 -8.949 2.852 1362 HD21 LEU 87 3HD2 LEU 87 -5.762 -6.754 1.888 1363 HD22 LEU 87 1HD2 LEU 87 -4.516 -7.721 1.099 1364 HD23 LEU 87 2HD2 LEU 87 -4.057 -6.383 2.153 1365 H SER 88 H SER 88 -3.439 -10.194 5.978 1366 HA SER 88 HA SER 88 -5.891 -11.775 6.036 1367 HG SER 88 HG SER 88 -4.817 -14.224 6.545 1368 HB2 SER 88 2HB SER 88 -3.969 -12.402 4.545 1369 HB3 SER 88 1HB SER 88 -3.012 -12.728 5.989 1370 H SER 89 H SER 89 -4.565 -10.088 8.288 1371 HA SER 89 HA SER 89 -3.984 -12.067 10.298 1372 HG SER 89 HG SER 89 -4.366 -9.956 12.564 1373 HB2 SER 89 2HB SER 89 -2.751 -9.937 10.243 1374 HB3 SER 89 1HB SER 89 -4.251 -9.060 10.539 1375 H ARG 90 H ARG 90 -6.250 -12.982 9.832 1376 HA ARG 90 HA ARG 90 -7.910 -12.107 12.076 1377 HE ARG 90 HE ARG 90 -9.914 -11.441 7.715 1378 HB2 ARG 90 2HB ARG 90 -8.980 -12.679 9.300 1379 HB3 ARG 90 1HB ARG 90 -9.981 -12.535 10.737 1380 HG2 ARG 90 2HG ARG 90 -9.081 -10.205 11.007 1381 HG3 ARG 90 1HG ARG 90 -8.344 -10.386 9.415 1382 HD2 ARG 90 2HD ARG 90 -11.279 -10.570 10.067 1383 HD3 ARG 90 1HD ARG 90 -10.475 -9.239 9.242 1384 HH11 ARG 90 1HH1 ARG 90 -12.832 -9.856 8.857 1385 HH12 ARG 90 2HH1 ARG 90 -13.807 -10.404 7.522 1386 HH21 ARG 90 2HH2 ARG 90 -12.860 -11.665 5.853 1387 HH22 ARG 90 1HH2 ARG 90 -11.189 -12.151 5.952 1388 HA PRO 91 HA PRO 91 -7.673 -16.371 13.143 1389 HB2 PRO 91 1HB PRO 91 -8.685 -15.989 15.143 1390 HB3 PRO 91 2HB PRO 91 -10.138 -16.630 14.371 1391 HG2 PRO 91 2HG PRO 91 -10.982 -14.524 13.917 1392 HG3 PRO 91 1HG PRO 91 -10.077 -14.155 15.396 1393 HD2 PRO 91 2HD PRO 91 -9.643 -12.807 13.122 1394 HD3 PRO 91 1HD PRO 91 -8.309 -13.208 14.226 1395 H LYS 92 H LYS 92 -8.206 -18.304 12.286 1396 HA LYS 92 HA LYS 92 -10.151 -18.259 10.108 1397 HB2 LYS 92 2HB LYS 92 -9.101 -20.364 9.386 1398 HB3 LYS 92 1HB LYS 92 -7.925 -19.067 9.543 1399 HG2 LYS 92 2HG LYS 92 -7.178 -19.966 11.670 1400 HG3 LYS 92 1HG LYS 92 -8.399 -21.239 11.580 1401 HD2 LYS 92 2HD LYS 92 -7.346 -22.134 9.583 1402 HD3 LYS 92 1HD LYS 92 -6.160 -20.826 9.599 1403 HE2 LYS 92 2HE LYS 92 -5.309 -21.616 11.753 1404 HE3 LYS 92 1HE LYS 92 -6.509 -22.908 11.758 1405 HZ1 LYS 92 3HZ LYS 92 -4.246 -23.572 11.008 1406 HZ2 LYS 92 1HZ LYS 92 -4.458 -22.591 9.643 1407 HZ3 LYS 92 2HZ LYS 92 -5.481 -23.923 9.899 1408 H LEU 93 H LEU 93 -11.862 -19.600 9.944 1409 HA LEU 93 HA LEU 93 -12.510 -21.274 12.275 1410 HG LEU 93 HG LEU 93 -14.293 -19.685 13.045 1411 HB2 LEU 93 2HB LEU 93 -14.242 -20.152 10.063 1412 HB3 LEU 93 1HB LEU 93 -14.813 -21.346 11.207 1413 HD11 LEU 93 1HD1 LEU 93 -14.118 -17.344 12.439 1414 HD12 LEU 93 2HD1 LEU 93 -14.103 -17.766 10.728 1415 HD13 LEU 93 3HD1 LEU 93 -12.764 -18.254 11.767 1416 HD21 LEU 93 3HD2 LEU 93 -16.343 -18.886 10.987 1417 HD22 LEU 93 1HD2 LEU 93 -16.343 -18.430 12.690 1418 HD23 LEU 93 2HD2 LEU 93 -16.558 -20.118 12.231 1419 H HIS 94 H HIS 94 -12.303 -21.187 8.763 1420 HA HIS 94 HA HIS 94 -11.665 -22.733 7.235 1421 HD1 HIS 94 1HD HIS 94 -10.067 -26.710 8.812 1422 HD2 HIS 94 2HD HIS 94 -9.736 -23.775 5.882 1423 HE1 HIS 94 1HE HIS 94 -9.011 -27.845 6.828 1424 HE2 HIS 94 2HE HIS 94 -9.077 -26.112 4.996 1425 HB2 HIS 94 2HB HIS 94 -9.943 -23.267 8.992 1426 HB3 HIS 94 1HB HIS 94 -11.007 -24.545 9.563 1427 H ALA 95 H ALA 95 -14.344 -22.769 8.766 1428 HA ALA 95 HA ALA 95 -16.351 -23.812 8.609 1429 HB1 ALA 95 3HB ALA 95 -15.089 -25.268 6.287 1430 HB2 ALA 95 1HB ALA 95 -15.870 -23.689 6.201 1431 HB3 ALA 95 2HB ALA 95 -16.816 -25.119 6.617 1432 H VAL 96 H VAL 96 -17.181 -26.351 8.070 1433 HA VAL 96 HA VAL 96 -15.520 -28.125 9.697 1434 HB VAL 96 HB VAL 96 -17.719 -28.958 10.775 1435 HG11 VAL 96 1HG1 VAL 96 -15.931 -27.885 12.026 1436 HG12 VAL 96 2HG1 VAL 96 -17.505 -27.341 12.606 1437 HG13 VAL 96 3HG1 VAL 96 -16.541 -26.296 11.563 1438 HG21 VAL 96 3HG2 VAL 96 -18.558 -26.164 9.992 1439 HG22 VAL 96 1HG2 VAL 96 -19.422 -27.225 11.104 1440 HG23 VAL 96 2HG2 VAL 96 -19.269 -27.669 9.404 Start of MODEL 18 1 HA MET 1 HA MET 1 31.609 26.210 0.408 2 H1 MET 1 1H MET 1 32.139 27.569 2.349 3 H2 MET 1 2H MET 1 32.613 26.177 3.195 4 H3 MET 1 3H MET 1 31.005 26.359 2.700 5 HB2 MET 1 2HB MET 1 34.418 26.000 1.506 6 HB3 MET 1 1HB MET 1 33.996 25.553 -0.139 7 HG2 MET 1 2HG MET 1 33.267 27.828 -0.586 8 HG3 MET 1 1HG MET 1 33.651 28.284 1.073 9 HE1 MET 1 3HE MET 1 35.081 30.301 0.081 10 HE2 MET 1 1HE MET 1 34.757 29.781 -1.574 11 HE3 MET 1 2HE MET 1 36.413 30.094 -1.054 12 H GLY 2 H GLY 2 31.079 24.270 -0.385 13 HA2 GLY 2 2HA GLY 2 31.109 21.931 -0.583 14 HA3 GLY 2 1HA GLY 2 32.058 21.835 0.896 15 H SER 3 H SER 3 29.794 20.215 0.305 16 HA SER 3 HA SER 3 27.568 21.302 1.801 17 HG SER 3 HG SER 3 27.676 17.650 -0.010 18 HB2 SER 3 2HB SER 3 26.584 19.005 1.374 19 HB3 SER 3 1HB SER 3 26.992 19.929 -0.073 20 H SER 4 H SER 4 29.379 18.254 2.124 21 HA SER 4 HA SER 4 30.051 17.036 3.918 22 HG SER 4 HG SER 4 31.877 20.067 4.054 23 HB2 SER 4 2HB SER 4 30.201 19.745 5.266 24 HB3 SER 4 1HB SER 4 31.000 18.273 5.814 25 H HIS 5 H HIS 5 27.169 17.627 3.576 26 HA HIS 5 HA HIS 5 26.219 17.741 6.347 27 HD1 HIS 5 1HD HIS 5 24.065 20.494 6.317 28 HD2 HIS 5 2HD HIS 5 22.585 16.654 5.699 29 HE1 HIS 5 1HE HIS 5 21.998 20.322 7.742 30 HE2 HIS 5 2HE HIS 5 21.025 18.059 7.215 31 HB2 HIS 5 2HB HIS 5 25.300 19.286 4.534 32 HB3 HIS 5 1HB HIS 5 24.522 17.862 3.855 33 H HIS 6 H HIS 6 26.723 15.630 6.947 34 HA HIS 6 HA HIS 6 24.664 13.754 6.654 35 HD1 HIS 6 1HD HIS 6 27.752 10.765 4.670 36 HD2 HIS 6 2HD HIS 6 28.457 14.842 5.143 37 HE1 HIS 6 1HE HIS 6 30.220 11.079 4.316 38 HE2 HIS 6 2HE HIS 6 30.650 13.521 4.770 39 HB2 HIS 6 2HB HIS 6 25.715 11.979 5.382 40 HB3 HIS 6 1HB HIS 6 25.663 13.427 4.388 41 H HIS 7 H HIS 7 25.004 11.894 8.026 42 HA HIS 7 HA HIS 7 27.602 11.780 9.330 43 HD1 HIS 7 1HD HIS 7 24.102 13.889 9.895 44 HD2 HIS 7 2HD HIS 7 24.111 10.567 12.397 45 HE1 HIS 7 1HE HIS 7 21.720 13.590 10.633 46 HE2 HIS 7 2HE HIS 7 21.742 11.585 12.153 47 HB2 HIS 7 2HB HIS 7 26.531 11.535 11.599 48 HB3 HIS 7 1HB HIS 7 26.495 13.148 10.908 49 H HIS 8 H HIS 8 24.503 10.132 10.052 50 HA HIS 8 HA HIS 8 25.428 7.638 8.983 51 HD1 HIS 8 1HD HIS 8 27.776 8.758 12.477 52 HD2 HIS 8 2HD HIS 8 27.607 5.823 9.535 53 HE1 HIS 8 1HE HIS 8 30.167 8.177 11.957 54 HE2 HIS 8 2HE HIS 8 30.025 6.246 10.347 55 HB2 HIS 8 2HB HIS 8 25.452 8.082 11.972 56 HB3 HIS 8 1HB HIS 8 25.275 6.482 11.272 57 H HIS 9 H HIS 9 23.915 5.831 9.677 58 HA HIS 9 HA HIS 9 21.394 6.679 10.854 59 HD1 HIS 9 1HD HIS 9 22.415 4.327 6.994 60 HD2 HIS 9 2HD HIS 9 18.929 3.839 9.220 61 HE1 HIS 9 1HE HIS 9 21.515 2.058 6.372 62 HE2 HIS 9 2HE HIS 9 19.512 1.713 7.868 63 HB2 HIS 9 2HB HIS 9 20.068 6.394 9.044 64 HB3 HIS 9 1HB HIS 9 21.539 6.509 8.095 65 H HIS 10 H HIS 10 20.669 5.117 12.257 66 HA HIS 10 HA HIS 10 21.853 2.455 12.113 67 HD1 HIS 10 1HD HIS 10 24.529 1.554 12.978 68 HD2 HIS 10 2HD HIS 10 22.265 2.183 16.418 69 HE1 HIS 10 1HE HIS 10 25.128 -0.319 14.543 70 HE2 HIS 10 2HE HIS 10 23.676 0.013 16.571 71 HB2 HIS 10 2HB HIS 10 23.503 3.989 13.264 72 HB3 HIS 10 1HB HIS 10 22.314 4.193 14.543 73 H SER 11 H SER 11 20.480 0.970 12.819 74 HA SER 11 HA SER 11 18.073 1.868 14.243 75 HG SER 11 HG SER 11 16.308 0.394 13.993 76 HB2 SER 11 2HB SER 11 17.791 0.654 12.093 77 HB3 SER 11 1HB SER 11 18.614 -0.739 12.791 78 H SER 12 H SER 12 17.761 1.345 16.331 79 HA SER 12 HA SER 12 18.863 -1.117 17.405 80 HG SER 12 HG SER 12 20.818 -0.050 16.774 81 HB2 SER 12 2HB SER 12 19.639 1.581 18.542 82 HB3 SER 12 1HB SER 12 19.976 0.029 19.305 83 H GLY 13 H GLY 13 16.240 0.298 16.910 84 HA2 GLY 13 2HA GLY 13 15.179 0.749 19.565 85 HA3 GLY 13 1HA GLY 13 14.282 0.809 18.053 86 H ARG 14 H ARG 14 13.722 -0.546 20.667 87 HA ARG 14 HA ARG 14 13.063 -3.142 19.500 88 HE ARG 14 HE ARG 14 14.473 -3.782 18.842 89 HB2 ARG 14 2HB ARG 14 15.233 -3.150 20.978 90 HB3 ARG 14 1HB ARG 14 14.091 -3.087 22.312 91 HG2 ARG 14 2HG ARG 14 14.371 -5.339 22.114 92 HG3 ARG 14 1HG ARG 14 12.986 -5.098 21.047 93 HD2 ARG 14 2HD ARG 14 15.875 -5.482 20.289 94 HD3 ARG 14 1HD ARG 14 14.502 -6.509 19.884 95 HH11 ARG 14 1HH1 ARG 14 14.992 -7.197 18.235 96 HH12 ARG 14 2HH1 ARG 14 15.023 -7.002 16.506 97 HH21 ARG 14 2HH2 ARG 14 14.719 -4.928 15.562 98 HH22 ARG 14 1HH2 ARG 14 14.469 -3.538 16.580 99 H GLU 15 H GLU 15 10.987 -3.514 19.791 100 HA GLU 15 HA GLU 15 9.644 -3.116 22.268 101 HB2 GLU 15 2HB GLU 15 9.620 -0.787 21.518 102 HB3 GLU 15 1HB GLU 15 8.944 -1.273 19.971 103 HG2 GLU 15 2HG GLU 15 7.252 -0.294 21.419 104 HG3 GLU 15 1HG GLU 15 6.892 -1.981 21.056 105 H ASN 16 H ASN 16 8.864 -3.100 18.794 106 HA ASN 16 HA ASN 16 7.421 -5.620 19.095 107 HB2 ASN 16 2HB ASN 16 5.753 -3.826 19.482 108 HB3 ASN 16 1HB ASN 16 6.179 -3.105 17.937 109 HD21 ASN 16 2HD2 ASN 16 3.396 -4.809 16.714 110 HD22 ASN 16 1HD2 ASN 16 4.084 -3.291 17.166 111 H LEU 17 H LEU 17 7.011 -6.654 17.030 112 HA LEU 17 HA LEU 17 7.904 -5.537 14.565 113 HG LEU 17 HG LEU 17 10.032 -5.787 13.377 114 HB2 LEU 17 2HB LEU 17 10.048 -6.215 15.873 115 HB3 LEU 17 1HB LEU 17 9.563 -7.861 15.521 116 HD11 LEU 17 1HD1 LEU 17 12.207 -6.867 13.033 117 HD12 LEU 17 2HD1 LEU 17 11.932 -7.856 14.467 118 HD13 LEU 17 3HD1 LEU 17 12.090 -6.107 14.620 119 HD21 LEU 17 3HD2 LEU 17 10.227 -7.729 11.911 120 HD22 LEU 17 1HD2 LEU 17 8.649 -7.685 12.697 121 HD23 LEU 17 2HD2 LEU 17 9.890 -8.799 13.272 122 H TYR 18 H TYR 18 6.387 -6.360 13.245 123 HA TYR 18 HA TYR 18 5.625 -9.175 13.604 124 HD1 TYR 18 2HD TYR 18 3.175 -10.078 14.952 125 HD2 TYR 18 1HD TYR 18 2.375 -7.884 11.398 126 HE1 TYR 18 2HE TYR 18 1.476 -11.740 14.316 127 HE2 TYR 18 1HE TYR 18 0.674 -9.536 10.750 128 HH TYR 18 HH TYR 18 0.301 -12.110 11.320 129 HB2 TYR 18 2HB TYR 18 3.935 -7.748 14.687 130 HB3 TYR 18 1HB TYR 18 3.684 -6.900 13.165 131 H PHE 19 H PHE 19 5.552 -6.371 11.388 132 HA PHE 19 HA PHE 19 4.589 -7.935 9.192 133 HD1 PHE 19 1HD PHE 19 2.857 -7.141 9.852 134 HD2 PHE 19 2HD PHE 19 4.398 -3.253 9.075 135 HE1 PHE 19 1HE PHE 19 0.760 -6.152 10.670 136 HE2 PHE 19 2HE PHE 19 2.299 -2.257 9.887 137 HZ PHE 19 HZ PHE 19 0.479 -3.707 10.687 138 HB2 PHE 19 2HB PHE 19 5.854 -5.185 9.157 139 HB3 PHE 19 1HB PHE 19 4.987 -5.931 7.823 140 H GLN 20 H GLN 20 7.156 -5.939 8.173 141 HA GLN 20 HA GLN 20 8.855 -8.301 7.765 142 HB2 GLN 20 2HB GLN 20 8.153 -7.056 5.733 143 HB3 GLN 20 1HB GLN 20 8.956 -5.624 6.361 144 HG2 GLN 20 2HG GLN 20 11.094 -6.702 6.231 145 HG3 GLN 20 1HG GLN 20 10.341 -8.225 5.765 146 HE21 GLN 20 2HE2 GLN 20 9.807 -5.373 2.927 147 HE22 GLN 20 1HE2 GLN 20 9.263 -5.125 4.555 148 H GLY 21 H GLY 21 8.741 -5.043 9.058 149 HA2 GLY 21 2HA GLY 21 10.615 -5.689 11.071 150 HA3 GLY 21 1HA GLY 21 11.411 -4.755 9.815 151 H MET 22 H MET 22 9.724 -4.569 12.681 152 HA MET 22 HA MET 22 8.809 -1.842 12.247 153 HB2 MET 22 2HB MET 22 8.641 -3.774 14.522 154 HB3 MET 22 1HB MET 22 8.502 -2.058 14.858 155 HG2 MET 22 2HG MET 22 6.317 -2.890 14.657 156 HG3 MET 22 1HG MET 22 6.642 -1.983 13.182 157 HE1 MET 22 3HE MET 22 4.407 -3.193 12.228 158 HE2 MET 22 1HE MET 22 4.274 -4.110 13.731 159 HE3 MET 22 2HE MET 22 4.218 -4.945 12.178 160 H THR 23 H THR 23 9.452 -0.532 14.488 161 HA THR 23 HA THR 23 11.008 0.871 15.308 162 HB THR 23 HB THR 23 13.065 -0.183 16.288 163 HG1 THR 23 1HG THR 23 12.504 -2.137 14.601 164 HG21 THR 23 3HG2 THR 23 11.820 -1.459 17.983 165 HG22 THR 23 1HG2 THR 23 10.408 -1.461 16.927 166 HG23 THR 23 2HG2 THR 23 11.020 0.060 17.577 167 H ASP 24 H ASP 24 11.808 2.364 14.069 168 HA ASP 24 HA ASP 24 13.032 3.492 12.525 169 HB2 ASP 24 2HB ASP 24 14.794 1.026 12.456 170 HB3 ASP 24 1HB ASP 24 15.171 2.564 11.690 171 H THR 25 H THR 25 13.122 0.102 11.486 172 HA THR 25 HA THR 25 12.758 0.629 8.745 173 HB THR 25 HB THR 25 12.018 -1.941 10.151 174 HG1 THR 25 1HG THR 25 14.048 -2.029 10.745 175 HG21 THR 25 3HG2 THR 25 12.791 -2.972 8.056 176 HG22 THR 25 1HG2 THR 25 13.130 -1.370 7.394 177 HG23 THR 25 2HG2 THR 25 11.472 -1.840 7.767 178 H ALA 26 H ALA 26 10.524 0.378 11.371 179 HA ALA 26 HA ALA 26 8.251 -0.655 10.184 180 HB1 ALA 26 3HB ALA 26 8.360 1.469 12.315 181 HB2 ALA 26 1HB ALA 26 8.493 -0.270 12.583 182 HB3 ALA 26 2HB ALA 26 6.993 0.413 11.958 183 H ALA 27 H ALA 27 9.405 2.679 10.148 184 HA ALA 27 HA ALA 27 7.011 3.772 9.077 185 HB1 ALA 27 3HB ALA 27 9.815 4.883 9.036 186 HB2 ALA 27 1HB ALA 27 8.619 5.138 10.307 187 HB3 ALA 27 2HB ALA 27 8.341 5.787 8.690 188 H GLU 28 H GLU 28 9.959 2.482 7.665 189 HA GLU 28 HA GLU 28 9.312 3.508 5.035 190 HB2 GLU 28 2HB GLU 28 11.646 3.385 6.052 191 HB3 GLU 28 1HB GLU 28 11.573 1.653 5.761 192 HG2 GLU 28 2HG GLU 28 12.787 2.860 4.013 193 HG3 GLU 28 1HG GLU 28 11.367 2.020 3.390 194 H ASP 29 H ASP 29 9.235 0.491 6.784 195 HA ASP 29 HA ASP 29 8.946 -1.324 4.663 196 HB2 ASP 29 2HB ASP 29 9.375 -1.857 7.102 197 HB3 ASP 29 1HB ASP 29 7.670 -1.553 7.401 198 H VAL 30 H VAL 30 6.532 0.544 6.460 199 HA VAL 30 HA VAL 30 4.292 -0.552 5.085 200 HB VAL 30 HB VAL 30 4.477 2.065 6.589 201 HG11 VAL 30 1HG1 VAL 30 2.051 1.855 6.834 202 HG12 VAL 30 2HG1 VAL 30 2.076 0.386 5.860 203 HG13 VAL 30 3HG1 VAL 30 2.515 1.933 5.134 204 HG21 VAL 30 3HG2 VAL 30 5.130 0.218 8.019 205 HG22 VAL 30 1HG2 VAL 30 3.688 -0.684 7.550 206 HG23 VAL 30 2HG2 VAL 30 3.533 0.804 8.483 207 H ARG 31 H ARG 31 6.401 2.197 4.553 208 HA ARG 31 HA ARG 31 4.876 3.573 2.636 209 HE ARG 31 HE ARG 31 6.999 7.234 5.205 210 HB2 ARG 31 2HB ARG 31 7.863 3.388 3.002 211 HB3 ARG 31 1HB ARG 31 7.088 4.475 1.859 212 HG2 ARG 31 2HG ARG 31 5.980 5.639 3.650 213 HG3 ARG 31 1HG ARG 31 6.622 4.493 4.829 214 HD2 ARG 31 2HD ARG 31 8.894 5.209 4.304 215 HD3 ARG 31 1HD ARG 31 8.270 6.330 3.093 216 HH11 ARG 31 1HH1 ARG 31 10.349 6.185 4.961 217 HH12 ARG 31 2HH1 ARG 31 10.886 7.240 6.233 218 HH21 ARG 31 2HH2 ARG 31 9.399 8.630 7.314 219 HH22 ARG 31 1HH2 ARG 31 7.721 8.630 6.855 220 H LYS 32 H LYS 32 7.217 0.968 2.331 221 HA LYS 32 HA LYS 32 7.495 0.956 -0.438 222 HB2 LYS 32 2HB LYS 32 8.115 -0.819 1.794 223 HB3 LYS 32 1HB LYS 32 7.800 -1.689 0.301 224 HG2 LYS 32 2HG LYS 32 10.191 -1.122 0.699 225 HG3 LYS 32 1HG LYS 32 9.547 -0.530 -0.834 226 HD2 LYS 32 2HD LYS 32 9.236 1.691 0.168 227 HD3 LYS 32 1HD LYS 32 9.895 1.088 1.691 228 HE2 LYS 32 2HE LYS 32 12.023 0.649 0.636 229 HE3 LYS 32 1HE LYS 32 11.377 1.115 -0.937 230 HZ1 LYS 32 3HZ LYS 32 12.722 2.852 0.211 231 HZ2 LYS 32 1HZ LYS 32 11.505 2.960 1.385 232 HZ3 LYS 32 2HZ LYS 32 11.165 3.354 -0.226 233 H ILE 33 H ILE 33 4.989 -0.454 1.571 234 HA ILE 33 HA ILE 33 3.782 -2.079 -0.394 235 HB ILE 33 HB ILE 33 2.395 -0.663 1.890 236 HG12 ILE 33 2HG1 ILE 33 3.685 -3.401 1.867 237 HG13 ILE 33 1HG1 ILE 33 4.381 -1.972 2.626 238 HG21 ILE 33 1HG2 ILE 33 1.682 -3.155 0.347 239 HG22 ILE 33 2HG2 ILE 33 0.851 -1.599 0.272 240 HG23 ILE 33 3HG2 ILE 33 0.818 -2.551 1.758 241 HD11 ILE 33 3HD1 ILE 33 2.444 -1.854 4.127 242 HD12 ILE 33 1HD1 ILE 33 3.320 -3.378 4.275 243 HD13 ILE 33 2HD1 ILE 33 1.798 -3.319 3.385 244 H ALA 34 H ALA 34 3.221 1.267 0.600 245 HA ALA 34 HA ALA 34 1.049 1.665 -1.223 246 HB1 ALA 34 3HB ALA 34 1.101 3.983 -0.453 247 HB2 ALA 34 1HB ALA 34 2.615 3.672 0.394 248 HB3 ALA 34 2HB ALA 34 1.137 2.853 0.900 249 H THR 35 H THR 35 4.515 2.251 -1.318 250 HA THR 35 HA THR 35 4.519 4.255 -3.251 251 HB THR 35 HB THR 35 6.911 3.315 -3.670 252 HG1 THR 35 1HG THR 35 6.189 1.301 -2.464 253 HG21 THR 35 3HG2 THR 35 6.419 5.355 -2.417 254 HG22 THR 35 1HG2 THR 35 7.722 4.439 -1.659 255 HG23 THR 35 2HG2 THR 35 6.096 4.387 -0.978 256 H ALA 36 H ALA 36 4.298 0.794 -3.605 257 HA ALA 36 HA ALA 36 5.036 0.595 -6.321 258 HB1 ALA 36 3HB ALA 36 3.114 -1.137 -4.770 259 HB2 ALA 36 1HB ALA 36 4.865 -1.342 -4.823 260 HB3 ALA 36 2HB ALA 36 3.907 -1.558 -6.288 261 H LEU 37 H LEU 37 2.124 1.601 -4.735 262 HA LEU 37 HA LEU 37 0.365 1.270 -6.955 263 HG LEU 37 HG LEU 37 0.713 1.177 -3.592 264 HB2 LEU 37 2HB LEU 37 -0.100 3.204 -4.713 265 HB3 LEU 37 1HB LEU 37 -1.268 2.245 -5.601 266 HD11 LEU 37 1HD1 LEU 37 -1.288 0.773 -2.213 267 HD12 LEU 37 2HD1 LEU 37 -2.268 1.615 -3.414 268 HD13 LEU 37 3HD1 LEU 37 -1.019 2.487 -2.525 269 HD21 LEU 37 3HD2 LEU 37 0.232 -0.472 -5.299 270 HD22 LEU 37 1HD2 LEU 37 -1.501 -0.194 -5.123 271 HD23 LEU 37 2HD2 LEU 37 -0.585 -0.916 -3.800 272 H LEU 38 H LEU 38 2.408 3.837 -5.751 273 HA LEU 38 HA LEU 38 1.280 5.832 -7.489 274 HG LEU 38 HG LEU 38 1.153 7.512 -5.737 275 HB2 LEU 38 2HB LEU 38 3.624 5.778 -5.619 276 HB3 LEU 38 1HB LEU 38 3.418 7.102 -6.749 277 HD11 LEU 38 1HD1 LEU 38 2.136 5.583 -3.638 278 HD12 LEU 38 2HD1 LEU 38 0.790 5.313 -4.746 279 HD13 LEU 38 3HD1 LEU 38 0.688 6.587 -3.532 280 HD21 LEU 38 3HD2 LEU 38 3.043 8.889 -5.147 281 HD22 LEU 38 1HD2 LEU 38 3.561 7.713 -3.939 282 HD23 LEU 38 2HD2 LEU 38 2.050 8.596 -3.719 283 H LYS 39 H LYS 39 3.837 3.498 -7.656 284 HA LYS 39 HA LYS 39 5.299 4.753 -9.758 285 HB2 LYS 39 2HB LYS 39 6.380 3.102 -8.319 286 HB3 LYS 39 1HB LYS 39 5.262 1.860 -8.874 287 HG2 LYS 39 2HG LYS 39 6.145 2.118 -11.160 288 HG3 LYS 39 1HG LYS 39 7.299 3.305 -10.558 289 HD2 LYS 39 2HD LYS 39 8.307 1.612 -9.120 290 HD3 LYS 39 1HD LYS 39 7.133 0.421 -9.689 291 HE2 LYS 39 2HE LYS 39 7.985 0.635 -11.957 292 HE3 LYS 39 1HE LYS 39 9.121 1.874 -11.431 293 HZ1 LYS 39 3HZ LYS 39 10.221 0.250 -10.046 294 HZ2 LYS 39 1HZ LYS 39 10.171 -0.292 -11.651 295 HZ3 LYS 39 2HZ LYS 39 9.112 -0.943 -10.505 296 H THR 40 H THR 40 3.157 1.907 -9.728 297 HA THR 40 HA THR 40 2.026 2.714 -12.227 298 HB THR 40 HB THR 40 3.958 1.676 -13.146 299 HG1 THR 40 1HG THR 40 1.812 1.163 -14.049 300 HG21 THR 40 3HG2 THR 40 4.689 0.319 -11.273 301 HG22 THR 40 1HG2 THR 40 4.559 -0.676 -12.725 302 HG23 THR 40 2HG2 THR 40 3.307 -0.755 -11.485 303 H ALA 41 H ALA 41 0.213 2.774 -11.048 304 HA ALA 41 HA ALA 41 -1.172 0.195 -10.955 305 HB1 ALA 41 3HB ALA 41 -2.348 0.802 -8.901 306 HB2 ALA 41 1HB ALA 41 -1.402 2.286 -8.789 307 HB3 ALA 41 2HB ALA 41 -0.607 0.719 -8.630 308 H ILE 42 H ILE 42 -1.284 3.713 -11.057 309 HA ILE 42 HA ILE 42 -3.960 3.886 -12.031 310 HB ILE 42 HB ILE 42 -1.676 5.845 -12.394 311 HG12 ILE 42 2HG1 ILE 42 -3.843 5.772 -10.279 312 HG13 ILE 42 1HG1 ILE 42 -2.160 5.326 -10.016 313 HG21 ILE 42 1HG2 ILE 42 -3.454 7.502 -12.736 314 HG22 ILE 42 2HG2 ILE 42 -4.657 6.217 -12.631 315 HG23 ILE 42 3HG2 ILE 42 -3.496 6.227 -13.956 316 HD11 ILE 42 3HD1 ILE 42 -2.592 7.556 -9.188 317 HD12 ILE 42 1HD1 ILE 42 -3.180 8.054 -10.775 318 HD13 ILE 42 2HD1 ILE 42 -1.486 7.617 -10.560 319 H GLU 43 H GLU 43 -4.680 3.467 -14.043 320 HA GLU 43 HA GLU 43 -2.634 2.732 -16.010 321 HB2 GLU 43 2HB GLU 43 -4.206 0.950 -15.211 322 HB3 GLU 43 1HB GLU 43 -5.524 1.852 -15.947 323 HG2 GLU 43 2HG GLU 43 -4.766 0.031 -17.379 324 HG3 GLU 43 1HG GLU 43 -4.507 1.602 -18.136 325 H ILE 44 H ILE 44 -2.777 3.390 -18.109 326 HA ILE 44 HA ILE 44 -4.498 5.718 -18.584 327 HB ILE 44 HB ILE 44 -2.205 6.296 -18.844 328 HG12 ILE 44 2HG1 ILE 44 -3.948 6.852 -20.760 329 HG13 ILE 44 1HG1 ILE 44 -2.259 7.330 -20.890 330 HG21 ILE 44 1HG2 ILE 44 -1.256 4.078 -19.020 331 HG22 ILE 44 2HG2 ILE 44 -0.648 5.112 -20.313 332 HG23 ILE 44 3HG2 ILE 44 -1.893 3.912 -20.657 333 HD11 ILE 44 3HD1 ILE 44 -1.819 5.391 -22.303 334 HD12 ILE 44 1HD1 ILE 44 -3.095 6.403 -22.978 335 HD13 ILE 44 2HD1 ILE 44 -3.505 4.895 -22.157 336 H VAL 45 H VAL 45 -6.134 5.564 -19.975 337 HA VAL 45 HA VAL 45 -6.312 3.142 -21.616 338 HB VAL 45 HB VAL 45 -8.718 3.667 -21.837 339 HG11 VAL 45 1HG1 VAL 45 -7.706 3.508 -19.004 340 HG12 VAL 45 2HG1 VAL 45 -7.996 2.151 -20.094 341 HG13 VAL 45 3HG1 VAL 45 -9.348 3.129 -19.523 342 HG21 VAL 45 3HG2 VAL 45 -9.740 5.358 -20.397 343 HG22 VAL 45 1HG2 VAL 45 -8.627 6.085 -21.557 344 HG23 VAL 45 2HG2 VAL 45 -8.139 5.878 -19.874 345 H SER 46 H SER 46 -6.217 3.238 -23.755 346 HA SER 46 HA SER 46 -5.884 5.872 -24.972 347 HG SER 46 HG SER 46 -3.061 4.471 -25.543 348 HB2 SER 46 2HB SER 46 -5.261 3.151 -26.142 349 HB3 SER 46 1HB SER 46 -4.748 4.720 -26.767 350 H GLU 47 H GLU 47 -7.197 6.636 -26.520 351 HA GLU 47 HA GLU 47 -9.522 5.030 -27.276 352 HB2 GLU 47 2HB GLU 47 -9.010 7.877 -26.923 353 HB3 GLU 47 1HB GLU 47 -9.788 7.532 -28.461 354 HG2 GLU 47 2HG GLU 47 -10.791 6.737 -25.738 355 HG3 GLU 47 1HG GLU 47 -11.434 8.022 -26.759 356 H GLU 48 H GLU 48 -10.232 5.297 -29.618 357 HA GLU 48 HA GLU 48 -7.984 4.716 -31.340 358 HB2 GLU 48 2HB GLU 48 -10.170 3.501 -31.510 359 HB3 GLU 48 1HB GLU 48 -10.899 4.993 -32.092 360 HG2 GLU 48 2HG GLU 48 -9.535 4.981 -34.048 361 HG3 GLU 48 1HG GLU 48 -8.583 3.629 -33.440 362 H ASP 49 H ASP 49 -10.467 7.182 -31.036 363 HA ASP 49 HA ASP 49 -8.587 9.110 -32.163 364 HB2 ASP 49 2HB ASP 49 -10.139 8.518 -33.991 365 HB3 ASP 49 1HB ASP 49 -11.498 9.001 -32.981 366 H GLY 50 H GLY 50 -8.234 10.479 -30.601 367 HA2 GLY 50 2HA GLY 50 -9.782 12.321 -29.480 368 HA3 GLY 50 1HA GLY 50 -10.255 10.909 -28.544 369 H GLY 51 H GLY 51 -7.552 9.745 -28.660 370 HA2 GLY 51 2HA GLY 51 -5.339 10.440 -27.963 371 HA3 GLY 51 1HA GLY 51 -6.102 11.703 -27.009 372 H ALA 52 H ALA 52 -4.245 9.942 -25.988 373 HA ALA 52 HA ALA 52 -5.477 7.855 -24.473 374 HB1 ALA 52 3HB ALA 52 -3.345 7.739 -23.306 375 HB2 ALA 52 1HB ALA 52 -2.846 9.264 -24.036 376 HB3 ALA 52 2HB ALA 52 -3.097 7.842 -25.048 377 H HIS 53 H HIS 53 -6.158 7.843 -22.355 378 HA HIS 53 HA HIS 53 -6.227 10.448 -20.968 379 HD1 HIS 53 1HD HIS 53 -8.927 12.118 -20.817 380 HD2 HIS 53 2HD HIS 53 -8.841 9.358 -23.930 381 HE1 HIS 53 1HE HIS 53 -9.738 13.353 -22.843 382 HE2 HIS 53 2HE HIS 53 -9.619 11.689 -24.731 383 HB2 HIS 53 2HB HIS 53 -8.471 8.452 -21.292 384 HB3 HIS 53 1HB HIS 53 -8.484 9.709 -20.060 385 H ASN 54 H ASN 54 -5.707 10.399 -18.843 386 HA ASN 54 HA ASN 54 -4.731 7.866 -17.780 387 HB2 ASN 54 2HB ASN 54 -3.303 9.875 -17.632 388 HB3 ASN 54 1HB ASN 54 -4.539 10.675 -16.666 389 HD21 ASN 54 2HD2 ASN 54 -3.700 9.079 -13.680 390 HD22 ASN 54 1HD2 ASN 54 -4.854 10.041 -14.533 391 H GLN 55 H GLN 55 -6.078 6.632 -16.626 392 HA GLN 55 HA GLN 55 -8.357 7.954 -15.318 393 HB2 GLN 55 2HB GLN 55 -8.082 5.193 -16.495 394 HB3 GLN 55 1HB GLN 55 -9.438 5.668 -15.481 395 HG2 GLN 55 2HG GLN 55 -8.668 6.974 -18.081 396 HG3 GLN 55 1HG GLN 55 -9.951 5.783 -17.876 397 HE21 GLN 55 2HE2 GLN 55 -12.268 8.036 -16.545 398 HE22 GLN 55 1HE2 GLN 55 -11.851 6.378 -16.824 399 H CYS 56 H CYS 56 -8.037 8.172 -13.205 400 HA CYS 56 HA CYS 56 -6.633 6.099 -11.722 401 HG CYS 56 HG CYS 56 -6.943 8.496 -8.283 402 HB2 CYS 56 2HB CYS 56 -6.234 8.473 -11.159 403 HB3 CYS 56 1HB CYS 56 -7.935 8.650 -10.735 404 H LYS 57 H LYS 57 -7.917 4.325 -11.750 405 HA LYS 57 HA LYS 57 -10.757 4.466 -11.470 406 HB2 LYS 57 2HB LYS 57 -10.722 2.040 -11.608 407 HB3 LYS 57 1HB LYS 57 -9.709 2.742 -12.853 408 HG2 LYS 57 2HG LYS 57 -8.596 1.686 -10.270 409 HG3 LYS 57 1HG LYS 57 -8.844 0.668 -11.688 410 HD2 LYS 57 2HD LYS 57 -7.395 2.231 -12.979 411 HD3 LYS 57 1HD LYS 57 -7.059 3.092 -11.477 412 HE2 LYS 57 2HE LYS 57 -5.256 1.568 -11.916 413 HE3 LYS 57 1HE LYS 57 -6.168 0.986 -10.526 414 HZ1 LYS 57 3HZ LYS 57 -6.724 -0.017 -13.250 415 HZ2 LYS 57 1HZ LYS 57 -7.100 -0.738 -11.764 416 HZ3 LYS 57 2HZ LYS 57 -5.488 -0.692 -12.306 417 H LEU 58 H LEU 58 -8.484 4.874 -9.216 418 HA LEU 58 HA LEU 58 -9.605 3.182 -7.154 419 HG LEU 58 HG LEU 58 -7.933 2.299 -6.015 420 HB2 LEU 58 2HB LEU 58 -7.108 4.208 -7.636 421 HB3 LEU 58 1HB LEU 58 -7.698 5.254 -6.358 422 HD11 LEU 58 1HD1 LEU 58 -5.415 3.889 -5.559 423 HD12 LEU 58 2HD1 LEU 58 -5.653 2.658 -6.801 424 HD13 LEU 58 3HD1 LEU 58 -5.684 2.207 -5.094 425 HD21 LEU 58 3HD2 LEU 58 -7.376 4.580 -4.119 426 HD22 LEU 58 1HD2 LEU 58 -7.614 2.890 -3.672 427 HD23 LEU 58 2HD2 LEU 58 -8.943 3.810 -4.377 428 H CYS 59 H CYS 59 -9.099 6.704 -7.564 429 HA CYS 59 HA CYS 59 -11.199 7.182 -5.598 430 HG CYS 59 HG CYS 59 -9.251 10.559 -7.838 431 HB2 CYS 59 2HB CYS 59 -10.514 9.579 -5.842 432 HB3 CYS 59 1HB CYS 59 -9.225 8.513 -5.299 433 H GLY 60 H GLY 60 -10.634 7.359 -9.022 434 HA2 GLY 60 2HA GLY 60 -12.380 7.431 -10.622 435 HA3 GLY 60 1HA GLY 60 -13.423 8.168 -9.415 436 H ALA 61 H ALA 61 -10.178 9.052 -10.507 437 HA ALA 61 HA ALA 61 -11.261 11.674 -11.279 438 HB1 ALA 61 3HB ALA 61 -8.512 11.076 -10.202 439 HB2 ALA 61 1HB ALA 61 -9.838 11.788 -9.283 440 HB3 ALA 61 2HB ALA 61 -9.138 12.663 -10.646 441 H SER 62 H SER 62 -10.828 12.404 -13.276 442 HA SER 62 HA SER 62 -9.231 10.658 -15.003 443 HG SER 62 HG SER 62 -10.193 10.575 -17.248 444 HB2 SER 62 2HB SER 62 -11.624 11.168 -15.613 445 HB3 SER 62 1HB SER 62 -11.143 12.849 -15.838 446 H VAL 63 H VAL 63 -7.445 11.334 -15.983 447 HA VAL 63 HA VAL 63 -6.666 14.161 -15.671 448 HB VAL 63 HB VAL 63 -4.828 11.754 -15.545 449 HG11 VAL 63 1HG1 VAL 63 -3.756 13.720 -16.521 450 HG12 VAL 63 2HG1 VAL 63 -3.089 13.347 -14.932 451 HG13 VAL 63 3HG1 VAL 63 -4.230 14.679 -15.119 452 HG21 VAL 63 3HG2 VAL 63 -6.205 11.934 -13.538 453 HG22 VAL 63 1HG2 VAL 63 -5.714 13.618 -13.346 454 HG23 VAL 63 2HG2 VAL 63 -4.521 12.329 -13.187 455 HA PRO 64 HA PRO 64 -6.413 14.080 -20.123 456 HB2 PRO 64 1HB PRO 64 -6.006 16.259 -20.670 457 HB3 PRO 64 2HB PRO 64 -4.465 16.286 -19.808 458 HG2 PRO 64 2HG PRO 64 -5.742 17.572 -18.362 459 HG3 PRO 64 1HG PRO 64 -7.234 16.697 -18.755 460 HD2 PRO 64 2HD PRO 64 -4.982 15.888 -16.950 461 HD3 PRO 64 1HD PRO 64 -6.734 15.712 -16.714 462 H TRP 65 H TRP 65 -3.951 13.223 -18.090 463 HA TRP 65 HA TRP 65 -2.148 11.907 -18.319 464 HD1 TRP 65 HD TRP 65 -0.807 11.714 -22.576 465 HE1 TRP 65 1HE TRP 65 1.213 10.101 -22.592 466 HE3 TRP 65 3HE TRP 65 -1.792 9.189 -18.258 467 HZ2 TRP 65 2HZ TRP 65 2.237 8.031 -20.962 468 HZ3 TRP 65 3HZ TRP 65 -0.252 7.403 -17.552 469 HH2 TRP 65 HH TRP 65 1.719 6.836 -18.877 470 HB2 TRP 65 2HB TRP 65 -3.280 10.676 -20.042 471 HB3 TRP 65 1HB TRP 65 -2.943 11.926 -21.233 472 H LEU 66 H LEU 66 0.073 12.038 -18.796 473 HA LEU 66 HA LEU 66 2.063 13.076 -19.073 474 HG LEU 66 HG LEU 66 2.805 14.892 -22.182 475 HB2 LEU 66 2HB LEU 66 0.861 13.701 -21.364 476 HB3 LEU 66 1HB LEU 66 0.916 15.311 -20.675 477 HD11 LEU 66 1HD1 LEU 66 3.650 15.129 -19.297 478 HD12 LEU 66 2HD1 LEU 66 3.126 16.453 -20.339 479 HD13 LEU 66 3HD1 LEU 66 4.616 15.583 -20.701 480 HD21 LEU 66 3HD2 LEU 66 2.992 12.483 -21.862 481 HD22 LEU 66 1HD2 LEU 66 3.573 12.738 -20.216 482 HD23 LEU 66 2HD2 LEU 66 4.539 13.283 -21.587 483 H GLN 67 H GLN 67 -0.387 15.666 -18.987 484 HA GLN 67 HA GLN 67 1.035 17.216 -17.057 485 HB2 GLN 67 2HB GLN 67 -0.584 18.247 -18.582 486 HB3 GLN 67 1HB GLN 67 -1.878 17.277 -17.893 487 HG2 GLN 67 2HG GLN 67 -1.383 18.399 -15.689 488 HG3 GLN 67 1HG GLN 67 -0.345 19.506 -16.588 489 HE21 GLN 67 2HE2 GLN 67 -4.395 19.811 -16.739 490 HE22 GLN 67 1HE2 GLN 67 -3.598 18.459 -16.009 491 H THR 68 H THR 68 1.174 16.842 -14.922 492 HA THR 68 HA THR 68 -0.296 14.698 -13.725 493 HB THR 68 HB THR 68 1.984 15.134 -13.000 494 HG1 THR 68 1HG THR 68 -0.111 14.832 -11.387 495 HG21 THR 68 3HG2 THR 68 2.041 17.566 -13.278 496 HG22 THR 68 1HG2 THR 68 2.547 17.105 -11.651 497 HG23 THR 68 2HG2 THR 68 0.929 17.751 -11.921 498 H GLY 69 H GLY 69 -0.750 18.117 -13.977 499 HA2 GLY 69 2HA GLY 69 -2.699 19.303 -13.531 500 HA3 GLY 69 1HA GLY 69 -3.343 17.886 -12.721 501 H ASP 70 H ASP 70 -0.335 18.364 -11.519 502 HA ASP 70 HA ASP 70 0.437 18.892 -9.464 503 HB2 ASP 70 2HB ASP 70 0.353 21.154 -10.304 504 HB3 ASP 70 1HB ASP 70 -1.342 21.291 -9.863 505 H GLU 71 H GLU 71 -0.592 17.076 -8.697 506 HA GLU 71 HA GLU 71 -2.060 15.782 -7.562 507 HB2 GLU 71 2HB GLU 71 -1.701 18.087 -5.656 508 HB3 GLU 71 1HB GLU 71 -2.251 16.477 -5.237 509 HG2 GLU 71 2HG GLU 71 -0.063 15.640 -6.219 510 HG3 GLU 71 1HG GLU 71 0.456 17.325 -6.164 511 H ILE 72 H ILE 72 -3.800 16.111 -9.081 512 HA ILE 72 HA ILE 72 -5.914 17.856 -8.873 513 HB ILE 72 HB ILE 72 -5.748 16.212 -10.662 514 HG12 ILE 72 2HG1 ILE 72 -8.283 15.788 -9.064 515 HG13 ILE 72 1HG1 ILE 72 -7.972 17.153 -10.128 516 HG21 ILE 72 1HG2 ILE 72 -4.855 14.336 -9.428 517 HG22 ILE 72 2HG2 ILE 72 -6.316 13.847 -10.285 518 HG23 ILE 72 3HG2 ILE 72 -6.375 14.156 -8.549 519 HD11 ILE 72 3HD1 ILE 72 -9.391 15.482 -11.192 520 HD12 ILE 72 1HD1 ILE 72 -8.123 14.274 -10.985 521 HD13 ILE 72 2HD1 ILE 72 -7.855 15.661 -12.041 522 H LYS 73 H LYS 73 -7.819 17.950 -7.681 523 HA LYS 73 HA LYS 73 -7.601 17.382 -4.968 524 HB2 LYS 73 2HB LYS 73 -9.113 19.091 -6.032 525 HB3 LYS 73 1HB LYS 73 -10.207 17.777 -6.444 526 HG2 LYS 73 2HG LYS 73 -10.953 18.898 -4.437 527 HG3 LYS 73 1HG LYS 73 -10.449 17.249 -4.058 528 HD2 LYS 73 2HD LYS 73 -8.289 18.096 -3.267 529 HD3 LYS 73 1HD LYS 73 -8.794 19.742 -3.646 530 HE2 LYS 73 2HE LYS 73 -10.600 19.578 -2.020 531 HE3 LYS 73 1HE LYS 73 -10.143 17.911 -1.665 532 HZ1 LYS 73 3HZ LYS 73 -9.267 19.397 0.002 533 HZ2 LYS 73 1HZ LYS 73 -8.479 20.325 -1.179 534 HZ3 LYS 73 2HZ LYS 73 -7.987 18.731 -0.891 535 H HIS 74 H HIS 74 -7.631 15.577 -3.954 536 HA HIS 74 HA HIS 74 -8.414 13.128 -5.195 537 HD1 HIS 74 1HD HIS 74 -5.805 15.186 -2.178 538 HD2 HIS 74 2HD HIS 74 -9.004 12.909 -0.790 539 HE1 HIS 74 1HE HIS 74 -6.237 15.973 0.178 540 HE2 HIS 74 2HE HIS 74 -8.250 14.662 0.956 541 HB2 HIS 74 2HB HIS 74 -7.555 12.086 -3.154 542 HB3 HIS 74 1HB HIS 74 -6.425 13.295 -3.752 543 H ALA 75 H ALA 75 -9.872 11.584 -4.343 544 HA ALA 75 HA ALA 75 -12.153 12.573 -2.877 545 HB1 ALA 75 3HB ALA 75 -12.929 10.232 -2.982 546 HB2 ALA 75 1HB ALA 75 -11.387 9.763 -3.699 547 HB3 ALA 75 2HB ALA 75 -12.474 10.844 -4.572 548 H ASP 76 H ASP 76 -12.329 12.549 -0.686 549 HA ASP 76 HA ASP 76 -9.897 11.961 0.741 550 HB2 ASP 76 2HB ASP 76 -11.673 13.914 1.036 551 HB3 ASP 76 1HB ASP 76 -12.365 12.777 2.189 552 H ASP 77 H ASP 77 -12.717 10.197 0.064 553 HA ASP 77 HA ASP 77 -12.677 8.621 2.490 554 HB2 ASP 77 2HB ASP 77 -14.796 9.017 1.303 555 HB3 ASP 77 1HB ASP 77 -14.176 8.145 -0.096 556 H CYS 78 H CYS 78 -11.139 8.472 -0.610 557 HA CYS 78 HA CYS 78 -10.748 5.615 -0.519 558 HG CYS 78 HG CYS 78 -9.399 9.171 -1.752 559 HB2 CYS 78 2HB CYS 78 -9.464 5.888 -2.570 560 HB3 CYS 78 1HB CYS 78 -10.976 6.783 -2.686 561 HA PRO 79 HA PRO 79 -7.176 5.430 2.006 562 HB2 PRO 79 1HB PRO 79 -6.541 3.243 1.929 563 HB3 PRO 79 2HB PRO 79 -6.138 3.319 0.209 564 HG2 PRO 79 2HG PRO 79 -8.112 2.080 0.125 565 HG3 PRO 79 1HG PRO 79 -8.804 2.927 1.520 566 HD2 PRO 79 2HD PRO 79 -8.526 3.871 -1.314 567 HD3 PRO 79 1HD PRO 79 -9.918 4.004 -0.216 568 H VAL 80 H VAL 80 -6.950 6.510 -1.135 569 HA VAL 80 HA VAL 80 -4.180 6.561 -1.601 570 HB VAL 80 HB VAL 80 -6.249 8.590 -2.483 571 HG11 VAL 80 1HG1 VAL 80 -4.687 9.081 -4.312 572 HG12 VAL 80 2HG1 VAL 80 -3.504 7.995 -3.582 573 HG13 VAL 80 3HG1 VAL 80 -3.998 9.460 -2.734 574 HG21 VAL 80 3HG2 VAL 80 -5.224 6.134 -3.901 575 HG22 VAL 80 1HG2 VAL 80 -6.368 7.307 -4.551 576 HG23 VAL 80 2HG2 VAL 80 -6.818 6.310 -3.165 577 H VAL 81 H VAL 81 -6.289 8.582 0.338 578 HA VAL 81 HA VAL 81 -4.500 10.685 0.871 579 HB VAL 81 HB VAL 81 -5.838 11.022 2.962 580 HG11 VAL 81 1HG1 VAL 81 -7.424 10.658 0.425 581 HG12 VAL 81 2HG1 VAL 81 -6.467 12.076 0.852 582 HG13 VAL 81 3HG1 VAL 81 -7.894 11.656 1.801 583 HG21 VAL 81 3HG2 VAL 81 -6.412 8.723 3.467 584 HG22 VAL 81 1HG2 VAL 81 -7.346 8.606 1.975 585 HG23 VAL 81 2HG2 VAL 81 -7.879 9.683 3.267 586 H ILE 82 H ILE 82 -4.950 7.547 2.368 587 HA ILE 82 HA ILE 82 -3.106 8.007 4.511 588 HB ILE 82 HB ILE 82 -4.062 5.337 3.445 589 HG12 ILE 82 2HG1 ILE 82 -5.994 6.752 3.931 590 HG13 ILE 82 1HG1 ILE 82 -5.857 5.459 5.117 591 HG21 ILE 82 1HG2 ILE 82 -3.045 6.156 6.161 592 HG22 ILE 82 2HG2 ILE 82 -2.183 5.180 4.970 593 HG23 ILE 82 3HG2 ILE 82 -3.648 4.555 5.728 594 HD11 ILE 82 3HD1 ILE 82 -6.474 7.539 6.177 595 HD12 ILE 82 1HD1 ILE 82 -5.046 8.332 5.512 596 HD13 ILE 82 2HD1 ILE 82 -4.867 7.041 6.700 597 H ALA 83 H ALA 83 -3.002 6.449 1.345 598 HA ALA 83 HA ALA 83 -0.473 5.314 1.423 599 HB1 ALA 83 3HB ALA 83 -2.052 4.968 -0.412 600 HB2 ALA 83 1HB ALA 83 -0.478 5.483 -1.012 601 HB3 ALA 83 2HB ALA 83 -1.813 6.634 -0.939 602 H LYS 84 H LYS 84 -1.372 8.592 0.354 603 HA LYS 84 HA LYS 84 1.224 9.493 -0.188 604 HB2 LYS 84 2HB LYS 84 -1.249 11.003 0.640 605 HB3 LYS 84 1HB LYS 84 0.255 11.793 0.202 606 HG2 LYS 84 2HG LYS 84 0.099 10.674 -2.027 607 HG3 LYS 84 1HG LYS 84 -1.517 10.128 -1.561 608 HD2 LYS 84 2HD LYS 84 -2.201 12.451 -1.206 609 HD3 LYS 84 1HD LYS 84 -0.589 12.999 -1.661 610 HE2 LYS 84 2HE LYS 84 -0.932 11.967 -3.891 611 HE3 LYS 84 1HE LYS 84 -2.589 11.589 -3.415 612 HZ1 LYS 84 3HZ LYS 84 -2.611 13.624 -4.636 613 HZ2 LYS 84 1HZ LYS 84 -1.375 14.289 -3.677 614 HZ3 LYS 84 2HZ LYS 84 -2.909 14.003 -3.012 615 H GLN 85 H GLN 85 -0.740 9.841 2.765 616 HA GLN 85 HA GLN 85 1.047 11.539 4.078 617 HB2 GLN 85 2HB GLN 85 -0.310 11.206 6.005 618 HB3 GLN 85 1HB GLN 85 -1.364 11.228 4.613 619 HG2 GLN 85 2HG GLN 85 -1.407 8.755 4.686 620 HG3 GLN 85 1HG GLN 85 -0.464 8.825 6.176 621 HE21 GLN 85 2HE2 GLN 85 -4.104 10.634 6.522 622 HE22 GLN 85 1HE2 GLN 85 -2.997 11.092 5.276 623 H ILE 86 H ILE 86 0.944 8.050 3.848 624 HA ILE 86 HA ILE 86 2.766 7.632 6.012 625 HB ILE 86 HB ILE 86 1.920 5.779 3.787 626 HG12 ILE 86 2HG1 ILE 86 1.118 5.915 6.698 627 HG13 ILE 86 1HG1 ILE 86 0.124 6.430 5.345 628 HG21 ILE 86 1HG2 ILE 86 4.114 5.124 4.629 629 HG22 ILE 86 2HG2 ILE 86 2.877 3.972 5.136 630 HG23 ILE 86 3HG2 ILE 86 3.501 5.157 6.283 631 HD11 ILE 86 3HD1 ILE 86 -0.562 4.253 6.171 632 HD12 ILE 86 1HD1 ILE 86 1.054 3.617 5.864 633 HD13 ILE 86 2HD1 ILE 86 0.043 4.140 4.517 634 H LEU 87 H LEU 87 3.115 7.603 2.456 635 HA LEU 87 HA LEU 87 5.917 6.981 2.721 636 HG LEU 87 HG LEU 87 3.077 7.852 0.517 637 HB2 LEU 87 2HB LEU 87 5.952 7.033 0.255 638 HB3 LEU 87 1HB LEU 87 4.769 5.936 0.929 639 HD11 LEU 87 1HD1 LEU 87 4.694 9.597 0.001 640 HD12 LEU 87 2HD1 LEU 87 3.626 9.294 -1.370 641 HD13 LEU 87 3HD1 LEU 87 5.273 8.663 -1.379 642 HD21 LEU 87 3HD2 LEU 87 4.304 6.319 -1.770 643 HD22 LEU 87 1HD2 LEU 87 2.699 7.049 -1.764 644 HD23 LEU 87 2HD2 LEU 87 3.069 5.723 -0.661 645 H SER 88 H SER 88 4.179 9.840 2.798 646 HA SER 88 HA SER 88 6.500 11.357 1.801 647 HG SER 88 HG SER 88 5.316 13.951 2.060 648 HB2 SER 88 2HB SER 88 4.352 11.723 0.582 649 HB3 SER 88 1HB SER 88 3.649 12.334 2.081 650 H SER 89 H SER 89 5.871 10.205 4.562 651 HA SER 89 HA SER 89 5.610 12.573 6.194 652 HG SER 89 HG SER 89 5.351 8.827 6.388 653 HB2 SER 89 2HB SER 89 6.044 10.888 8.075 654 HB3 SER 89 1HB SER 89 4.583 10.651 7.116 655 H ARG 90 H ARG 90 7.402 13.827 5.634 656 HA ARG 90 HA ARG 90 10.059 12.712 5.981 657 HE ARG 90 HE ARG 90 12.255 14.510 3.241 658 HB2 ARG 90 2HB ARG 90 9.175 15.516 5.266 659 HB3 ARG 90 1HB ARG 90 10.844 14.966 5.309 660 HG2 ARG 90 2HG ARG 90 10.214 13.261 3.571 661 HG3 ARG 90 1HG ARG 90 8.665 14.093 3.431 662 HD2 ARG 90 2HD ARG 90 10.143 14.905 1.716 663 HD3 ARG 90 1HD ARG 90 9.887 16.183 2.904 664 HH11 ARG 90 1HH1 ARG 90 10.906 17.550 2.141 665 HH12 ARG 90 2HH1 ARG 90 12.430 18.376 2.144 666 HH21 ARG 90 2HH2 ARG 90 14.355 17.251 2.768 667 HH22 ARG 90 1HH2 ARG 90 14.258 15.576 3.223 668 HA PRO 91 HA PRO 91 10.575 13.857 10.196 669 HB2 PRO 91 1HB PRO 91 12.611 12.841 10.236 670 HB3 PRO 91 2HB PRO 91 13.246 14.487 10.204 671 HG2 PRO 91 2HG PRO 91 13.670 14.423 7.933 672 HG3 PRO 91 1HG PRO 91 13.890 12.704 8.315 673 HD2 PRO 91 2HD PRO 91 12.145 13.558 6.436 674 HD3 PRO 91 1HD PRO 91 11.846 12.116 7.425 675 H LYS 92 H LYS 92 9.556 15.674 10.736 676 HA LYS 92 HA LYS 92 10.959 18.140 10.913 677 HB2 LYS 92 2HB LYS 92 9.185 19.418 9.570 678 HB3 LYS 92 1HB LYS 92 10.402 18.547 8.650 679 HG2 LYS 92 2HG LYS 92 8.848 17.375 7.605 680 HG3 LYS 92 1HG LYS 92 8.164 16.832 9.136 681 HD2 LYS 92 2HD LYS 92 6.481 17.976 7.820 682 HD3 LYS 92 1HD LYS 92 6.859 18.906 9.270 683 HE2 LYS 92 2HE LYS 92 8.249 20.406 7.991 684 HE3 LYS 92 1HE LYS 92 8.013 19.436 6.536 685 HZ1 LYS 92 3HZ LYS 92 5.697 19.989 6.531 686 HZ2 LYS 92 1HZ LYS 92 6.590 21.428 6.625 687 HZ3 LYS 92 2HZ LYS 92 5.831 20.813 8.008 688 H LEU 93 H LEU 93 8.776 19.849 11.284 689 HA LEU 93 HA LEU 93 7.873 19.152 13.836 690 HG LEU 93 HG LEU 93 7.594 22.836 13.510 691 HB2 LEU 93 2HB LEU 93 6.818 21.152 11.841 692 HB3 LEU 93 1HB LEU 93 6.124 20.968 13.438 693 HD11 LEU 93 1HD1 LEU 93 9.250 22.142 15.178 694 HD12 LEU 93 2HD1 LEU 93 8.931 20.455 14.774 695 HD13 LEU 93 3HD1 LEU 93 7.656 21.449 15.480 696 HD21 LEU 93 3HD2 LEU 93 8.927 22.363 11.535 697 HD22 LEU 93 1HD2 LEU 93 9.734 21.042 12.379 698 HD23 LEU 93 2HD2 LEU 93 9.962 22.705 12.921 699 H HIS 94 H HIS 94 5.758 19.510 10.990 700 HA HIS 94 HA HIS 94 4.742 16.850 11.246 701 HD1 HIS 94 1HD HIS 94 1.372 16.061 11.309 702 HD2 HIS 94 2HD HIS 94 3.772 16.847 14.620 703 HE1 HIS 94 1HE HIS 94 0.951 14.176 12.920 704 HE2 HIS 94 2HE HIS 94 2.552 14.572 14.825 705 HB2 HIS 94 2HB HIS 94 3.394 18.884 12.712 706 HB3 HIS 94 1HB HIS 94 2.373 18.447 11.345 707 H ALA 95 H ALA 95 3.430 16.253 9.458 708 HA ALA 95 HA ALA 95 4.111 17.706 7.079 709 HB1 ALA 95 3HB ALA 95 2.397 15.251 7.438 710 HB2 ALA 95 1HB ALA 95 4.135 15.268 7.141 711 HB3 ALA 95 2HB ALA 95 3.025 15.862 5.906 712 H VAL 96 H VAL 96 2.555 19.378 8.595 713 HA VAL 96 HA VAL 96 0.002 19.407 7.144 714 HB VAL 96 HB VAL 96 -0.669 21.140 8.907 715 HG11 VAL 96 1HG1 VAL 96 -1.576 18.897 8.849 716 HG12 VAL 96 2HG1 VAL 96 -1.298 19.406 10.515 717 HG13 VAL 96 3HG1 VAL 96 -0.179 18.286 9.735 718 HG21 VAL 96 3HG2 VAL 96 0.469 20.973 11.064 719 HG22 VAL 96 1HG2 VAL 96 1.550 21.588 9.814 720 HG23 VAL 96 2HG2 VAL 96 1.681 19.912 10.347 721 HA MET 1 HA MET 1 -0.262 -19.447 -3.709 722 H1 MET 1 1H MET 1 0.838 -21.941 -2.565 723 H2 MET 1 2H MET 1 1.403 -20.367 -2.299 724 H3 MET 1 3H MET 1 1.543 -21.072 -3.835 725 HB2 MET 1 2HB MET 1 -0.871 -22.343 -4.249 726 HB3 MET 1 1HB MET 1 -2.091 -21.101 -4.486 727 HG2 MET 1 2HG MET 1 -0.989 -21.648 -6.568 728 HG3 MET 1 1HG MET 1 -0.661 -19.983 -6.103 729 HE1 MET 1 3HE MET 1 0.956 -21.764 -8.305 730 HE2 MET 1 1HE MET 1 2.599 -21.211 -7.980 731 HE3 MET 1 2HE MET 1 1.267 -20.056 -7.997 732 H GLY 2 H GLY 2 -1.605 -18.471 -2.371 733 HA2 GLY 2 2HA GLY 2 -3.282 -20.017 -0.574 734 HA3 GLY 2 1HA GLY 2 -2.115 -18.952 0.200 735 H SER 3 H SER 3 -4.993 -18.803 0.337 736 HA SER 3 HA SER 3 -5.338 -16.131 -0.846 737 HG SER 3 HG SER 3 -6.783 -19.175 -0.199 738 HB2 SER 3 2HB SER 3 -7.794 -16.707 -1.054 739 HB3 SER 3 1HB SER 3 -6.727 -17.587 -2.147 740 H SER 4 H SER 4 -6.554 -14.640 0.379 741 HA SER 4 HA SER 4 -7.439 -15.458 3.028 742 HG SER 4 HG SER 4 -5.024 -15.808 2.977 743 HB2 SER 4 2HB SER 4 -5.365 -13.300 2.573 744 HB3 SER 4 1HB SER 4 -6.206 -13.569 4.099 745 H HIS 5 H HIS 5 -9.458 -14.799 3.092 746 HA HIS 5 HA HIS 5 -10.111 -12.088 2.118 747 HD1 HIS 5 1HD HIS 5 -14.202 -13.465 1.732 748 HD2 HIS 5 2HD HIS 5 -11.369 -11.291 -0.398 749 HE1 HIS 5 1HE HIS 5 -15.487 -11.664 0.535 750 HE2 HIS 5 2HE HIS 5 -13.786 -10.574 -0.971 751 HB2 HIS 5 2HB HIS 5 -10.825 -14.019 0.599 752 HB3 HIS 5 1HB HIS 5 -11.942 -14.479 1.876 753 H HIS 6 H HIS 6 -9.570 -13.465 4.799 754 HA HIS 6 HA HIS 6 -12.145 -13.356 6.126 755 HD1 HIS 6 1HD HIS 6 -8.798 -16.359 6.672 756 HD2 HIS 6 2HD HIS 6 -12.914 -15.750 6.714 757 HE1 HIS 6 1HE HIS 6 -9.825 -18.600 6.147 758 HE2 HIS 6 2HE HIS 6 -12.317 -18.195 6.119 759 HB2 HIS 6 2HB HIS 6 -9.373 -14.013 7.117 760 HB3 HIS 6 1HB HIS 6 -10.784 -13.958 8.168 761 H HIS 7 H HIS 7 -12.940 -11.653 7.147 762 HA HIS 7 HA HIS 7 -11.289 -9.308 7.550 763 HD1 HIS 7 1HD HIS 7 -15.463 -9.232 5.901 764 HD2 HIS 7 2HD HIS 7 -11.811 -7.268 6.183 765 HE1 HIS 7 1HE HIS 7 -15.274 -7.855 3.808 766 HE2 HIS 7 2HE HIS 7 -13.193 -6.471 4.146 767 HB2 HIS 7 2HB HIS 7 -14.212 -9.889 7.931 768 HB3 HIS 7 1HB HIS 7 -13.488 -8.429 8.590 769 H HIS 8 H HIS 8 -10.942 -8.305 9.545 770 HA HIS 8 HA HIS 8 -11.712 -9.481 12.017 771 HD1 HIS 8 1HD HIS 8 -7.167 -9.084 12.570 772 HD2 HIS 8 2HD HIS 8 -8.766 -10.274 8.927 773 HE1 HIS 8 1HE HIS 8 -5.334 -8.744 10.885 774 HE2 HIS 8 2HE HIS 8 -6.276 -9.634 8.724 775 HB2 HIS 8 2HB HIS 8 -9.432 -10.053 12.827 776 HB3 HIS 8 1HB HIS 8 -9.966 -11.100 11.519 777 H HIS 9 H HIS 9 -12.020 -7.782 13.261 778 HA HIS 9 HA HIS 9 -10.208 -5.483 12.995 779 HD1 HIS 9 1HD HIS 9 -14.121 -6.424 11.190 780 HD2 HIS 9 2HD HIS 9 -14.216 -4.689 14.970 781 HE1 HIS 9 1HE HIS 9 -16.390 -6.960 12.126 782 HE2 HIS 9 2HE HIS 9 -16.450 -5.857 14.392 783 HB2 HIS 9 2HB HIS 9 -12.164 -3.948 13.102 784 HB3 HIS 9 1HB HIS 9 -12.130 -4.922 11.636 785 H HIS 10 H HIS 10 -9.678 -4.507 14.817 786 HA HIS 10 HA HIS 10 -11.122 -4.017 17.077 787 HD1 HIS 10 1HD HIS 10 -10.778 -6.621 20.400 788 HD2 HIS 10 2HD HIS 10 -13.236 -5.514 17.230 789 HE1 HIS 10 1HE HIS 10 -13.127 -6.680 21.302 790 HE2 HIS 10 2HE HIS 10 -14.570 -5.837 19.415 791 HB2 HIS 10 2HB HIS 10 -10.259 -6.780 17.070 792 HB3 HIS 10 1HB HIS 10 -9.475 -5.902 18.380 793 H SER 11 H SER 11 -9.944 -2.642 18.377 794 HA SER 11 HA SER 11 -7.066 -2.463 17.775 795 HG SER 11 HG SER 11 -9.867 0.169 17.055 796 HB2 SER 11 2HB SER 11 -7.374 0.050 17.870 797 HB3 SER 11 1HB SER 11 -8.083 -0.750 16.466 798 H SER 12 H SER 12 -5.745 -2.037 19.441 799 HA SER 12 HA SER 12 -6.958 -1.389 22.040 800 HG SER 12 HG SER 12 -5.506 -4.442 21.076 801 HB2 SER 12 2HB SER 12 -4.312 -2.787 21.597 802 HB3 SER 12 1HB SER 12 -5.196 -2.618 23.114 803 H GLY 13 H GLY 13 -6.699 0.767 22.298 804 HA2 GLY 13 2HA GLY 13 -4.374 2.067 21.090 805 HA3 GLY 13 1HA GLY 13 -5.805 2.865 21.716 806 H ARG 14 H ARG 14 -2.811 1.260 22.613 807 HA ARG 14 HA ARG 14 -2.661 3.065 24.917 808 HE ARG 14 HE ARG 14 0.127 1.042 28.753 809 HB2 ARG 14 2HB ARG 14 -3.294 0.829 25.768 810 HB3 ARG 14 1HB ARG 14 -1.871 0.141 24.993 811 HG2 ARG 14 2HG ARG 14 -0.426 1.479 26.403 812 HG3 ARG 14 1HG ARG 14 -1.831 2.244 27.143 813 HD2 ARG 14 2HD ARG 14 -2.544 0.080 28.030 814 HD3 ARG 14 1HD ARG 14 -1.138 -0.690 27.290 815 HH11 ARG 14 1HH1 ARG 14 -2.740 -0.769 29.653 816 HH12 ARG 14 2HH1 ARG 14 -2.433 -0.635 31.358 817 HH21 ARG 14 2HH2 ARG 14 -0.559 0.468 32.118 818 HH22 ARG 14 1HH2 ARG 14 0.546 1.192 30.977 819 H GLU 15 H GLU 15 -0.652 3.853 25.359 820 HA GLU 15 HA GLU 15 1.394 4.665 24.911 821 HB2 GLU 15 2HB GLU 15 1.886 1.894 23.810 822 HB3 GLU 15 1HB GLU 15 3.131 3.094 24.122 823 HG2 GLU 15 2HG GLU 15 1.357 1.756 26.149 824 HG3 GLU 15 1HG GLU 15 3.091 1.525 25.925 825 H ASN 16 H ASN 16 0.997 6.255 23.490 826 HA ASN 16 HA ASN 16 0.409 5.699 20.733 827 HB2 ASN 16 2HB ASN 16 -0.596 7.626 21.920 828 HB3 ASN 16 1HB ASN 16 1.003 8.349 22.064 829 HD21 ASN 16 2HD2 ASN 16 0.190 10.108 19.175 830 HD22 ASN 16 1HD2 ASN 16 0.445 10.163 20.885 831 H LEU 17 H LEU 17 2.086 4.811 19.650 832 HA LEU 17 HA LEU 17 4.692 6.055 19.701 833 HG LEU 17 HG LEU 17 5.969 3.964 20.002 834 HB2 LEU 17 2HB LEU 17 3.528 3.711 18.242 835 HB3 LEU 17 1HB LEU 17 5.050 4.404 17.722 836 HD11 LEU 17 1HD1 LEU 17 4.792 2.400 21.463 837 HD12 LEU 17 2HD1 LEU 17 3.393 2.448 20.389 838 HD13 LEU 17 3HD1 LEU 17 3.889 3.900 21.260 839 HD21 LEU 17 3HD2 LEU 17 6.401 2.437 18.161 840 HD22 LEU 17 1HD2 LEU 17 4.904 1.570 18.509 841 HD23 LEU 17 2HD2 LEU 17 6.225 1.552 19.676 842 H TYR 18 H TYR 18 3.005 5.092 16.797 843 HA TYR 18 HA TYR 18 2.966 7.882 15.888 844 HD1 TYR 18 2HD TYR 18 4.582 9.201 14.614 845 HD2 TYR 18 1HD TYR 18 3.370 6.148 11.911 846 HE1 TYR 18 2HE TYR 18 4.619 10.827 12.772 847 HE2 TYR 18 1HE TYR 18 3.410 7.765 10.059 848 HH TYR 18 HH TYR 18 3.332 10.111 9.646 849 HB2 TYR 18 2HB TYR 18 4.943 6.565 14.977 850 HB3 TYR 18 1HB TYR 18 3.775 5.582 14.104 851 H PHE 19 H PHE 19 2.081 4.729 14.466 852 HA PHE 19 HA PHE 19 -0.511 5.796 13.729 853 HD1 PHE 19 1HD PHE 19 -0.768 6.040 11.524 854 HD2 PHE 19 2HD PHE 19 2.249 3.036 11.520 855 HE1 PHE 19 1HE PHE 19 0.135 6.950 9.417 856 HE2 PHE 19 2HE PHE 19 3.160 3.943 9.427 857 HZ PHE 19 HZ PHE 19 2.107 5.900 8.372 858 HB2 PHE 19 2HB PHE 19 0.760 3.097 13.245 859 HB3 PHE 19 1HB PHE 19 -0.865 3.516 12.719 860 H GLN 20 H GLN 20 -0.951 6.084 16.108 861 HA GLN 20 HA GLN 20 -2.116 5.533 17.989 862 HB2 GLN 20 2HB GLN 20 -3.820 5.556 16.175 863 HB3 GLN 20 1HB GLN 20 -3.638 3.816 16.022 864 HG2 GLN 20 2HG GLN 20 -4.453 3.514 18.295 865 HG3 GLN 20 1HG GLN 20 -4.589 5.262 18.489 866 HE21 GLN 20 2HE2 GLN 20 -7.848 3.590 17.451 867 HE22 GLN 20 1HE2 GLN 20 -6.655 3.165 18.632 868 H GLY 21 H GLY 21 -0.208 4.369 18.825 869 HA2 GLY 21 2HA GLY 21 0.366 2.623 20.263 870 HA3 GLY 21 1HA GLY 21 -0.975 1.687 19.622 871 H MET 22 H MET 22 -0.447 1.638 16.953 872 HA MET 22 HA MET 22 0.704 0.592 15.325 873 HB2 MET 22 2HB MET 22 3.102 1.208 17.045 874 HB3 MET 22 1HB MET 22 3.189 0.516 15.432 875 HG2 MET 22 2HG MET 22 1.982 2.514 14.582 876 HG3 MET 22 1HG MET 22 2.122 3.216 16.194 877 HE1 MET 22 3HE MET 22 5.711 2.223 13.467 878 HE2 MET 22 1HE MET 22 4.026 2.002 12.995 879 HE3 MET 22 2HE MET 22 4.730 0.984 14.252 880 H THR 23 H THR 23 0.072 -0.712 18.152 881 HA THR 23 HA THR 23 1.447 -3.233 17.684 882 HB THR 23 HB THR 23 0.149 -3.955 19.731 883 HG1 THR 23 1HG THR 23 -1.491 -2.647 20.115 884 HG21 THR 23 3HG2 THR 23 2.470 -3.193 19.893 885 HG22 THR 23 1HG2 THR 23 1.541 -2.679 21.301 886 HG23 THR 23 2HG2 THR 23 1.921 -1.522 20.025 887 H ASP 24 H ASP 24 -1.888 -2.133 18.142 888 HA ASP 24 HA ASP 24 -2.859 -4.485 16.687 889 HB2 ASP 24 2HB ASP 24 -4.425 -2.461 18.305 890 HB3 ASP 24 1HB ASP 24 -5.024 -3.993 17.684 891 H THR 25 H THR 25 -3.459 -0.996 16.913 892 HA THR 25 HA THR 25 -5.254 -0.803 14.795 893 HB THR 25 HB THR 25 -3.432 1.468 15.488 894 HG1 THR 25 1HG THR 25 -4.084 1.451 17.504 895 HG21 THR 25 3HG2 THR 25 -6.400 1.244 14.968 896 HG22 THR 25 1HG2 THR 25 -5.186 1.843 13.838 897 HG23 THR 25 2HG2 THR 25 -5.535 2.740 15.317 898 H ALA 26 H ALA 26 -1.772 -0.896 14.773 899 HA ALA 26 HA ALA 26 -1.219 0.425 12.373 900 HB1 ALA 26 3HB ALA 26 0.502 -0.249 13.992 901 HB2 ALA 26 1HB ALA 26 0.887 -0.782 12.356 902 HB3 ALA 26 2HB ALA 26 0.257 -1.934 13.534 903 H ALA 27 H ALA 27 -1.952 -2.995 12.987 904 HA ALA 27 HA ALA 27 -1.643 -3.832 10.293 905 HB1 ALA 27 3HB ALA 27 -1.507 -5.388 12.182 906 HB2 ALA 27 1HB ALA 27 -2.727 -5.895 11.014 907 HB3 ALA 27 2HB ALA 27 -3.218 -5.122 12.520 908 H GLU 28 H GLU 28 -4.249 -2.408 12.090 909 HA GLU 28 HA GLU 28 -6.286 -3.157 10.208 910 HB2 GLU 28 2HB GLU 28 -6.942 -2.882 12.500 911 HB3 GLU 28 1HB GLU 28 -6.281 -1.252 12.548 912 HG2 GLU 28 2HG GLU 28 -7.997 -0.391 11.225 913 HG3 GLU 28 1HG GLU 28 -8.493 -1.988 10.672 914 H ASP 29 H ASP 29 -4.341 -0.264 10.846 915 HA ASP 29 HA ASP 29 -5.839 1.313 8.968 916 HB2 ASP 29 2HB ASP 29 -4.404 2.076 11.049 917 HB3 ASP 29 1HB ASP 29 -3.108 2.139 9.855 918 H VAL 30 H VAL 30 -2.960 -0.669 8.853 919 HA VAL 30 HA VAL 30 -2.208 0.144 6.214 920 HB VAL 30 HB VAL 30 -1.528 -2.376 7.747 921 HG11 VAL 30 1HG1 VAL 30 -0.345 -1.330 5.176 922 HG12 VAL 30 2HG1 VAL 30 -1.348 -2.771 5.347 923 HG13 VAL 30 3HG1 VAL 30 0.247 -2.712 6.096 924 HG21 VAL 30 3HG2 VAL 30 0.659 -1.297 8.044 925 HG22 VAL 30 1HG2 VAL 30 -0.645 -0.359 8.772 926 HG23 VAL 30 2HG2 VAL 30 0.047 0.144 7.230 927 H ARG 31 H ARG 31 -4.412 -2.200 7.578 928 HA ARG 31 HA ARG 31 -5.041 -3.743 5.345 929 HE ARG 31 HE ARG 31 -9.788 -3.179 7.405 930 HB2 ARG 31 2HB ARG 31 -5.917 -4.184 7.601 931 HB3 ARG 31 1HB ARG 31 -6.905 -2.735 7.508 932 HG2 ARG 31 2HG ARG 31 -8.149 -3.714 5.635 933 HG3 ARG 31 1HG ARG 31 -7.171 -5.178 5.767 934 HD2 ARG 31 2HD ARG 31 -9.220 -5.592 6.900 935 HD3 ARG 31 1HD ARG 31 -7.973 -5.393 8.130 936 HH11 ARG 31 1HH1 ARG 31 -8.323 -5.268 9.798 937 HH12 ARG 31 2HH1 ARG 31 -9.065 -4.467 11.145 938 HH21 ARG 31 2HH2 ARG 31 -10.448 -2.681 10.814 939 HH22 ARG 31 1HH2 ARG 31 -10.814 -2.140 9.199 940 H LYS 32 H LYS 32 -5.856 -0.475 6.157 941 HA LYS 32 HA LYS 32 -8.014 0.098 4.529 942 HB2 LYS 32 2HB LYS 32 -6.708 1.550 6.230 943 HB3 LYS 32 1HB LYS 32 -5.688 1.977 4.867 944 HG2 LYS 32 2HG LYS 32 -7.273 3.701 5.111 945 HG3 LYS 32 1HG LYS 32 -7.763 2.767 3.696 946 HD2 LYS 32 2HD LYS 32 -9.580 1.833 4.782 947 HD3 LYS 32 1HD LYS 32 -8.889 2.101 6.385 948 HE2 LYS 32 2HE LYS 32 -9.832 4.293 4.540 949 HE3 LYS 32 1HE LYS 32 -10.803 3.601 5.840 950 HZ1 LYS 32 3HZ LYS 32 -8.128 4.729 6.383 951 HZ2 LYS 32 1HZ LYS 32 -9.411 4.485 7.459 952 HZ3 LYS 32 2HZ LYS 32 -9.486 5.733 6.310 953 H ILE 33 H ILE 33 -4.553 0.475 3.706 954 HA ILE 33 HA ILE 33 -5.162 1.014 0.947 955 HB ILE 33 HB ILE 33 -2.695 0.923 0.607 956 HG12 ILE 33 2HG1 ILE 33 -2.606 0.521 3.604 957 HG13 ILE 33 1HG1 ILE 33 -2.179 -0.694 2.410 958 HG21 ILE 33 1HG2 ILE 33 -2.219 2.972 1.887 959 HG22 ILE 33 2HG2 ILE 33 -3.682 2.697 2.833 960 HG23 ILE 33 3HG2 ILE 33 -3.799 3.017 1.104 961 HD11 ILE 33 3HD1 ILE 33 -0.195 0.334 3.334 962 HD12 ILE 33 1HD1 ILE 33 -0.773 1.925 2.842 963 HD13 ILE 33 2HD1 ILE 33 -0.349 0.726 1.620 964 H ALA 34 H ALA 34 -4.288 -1.763 2.839 965 HA ALA 34 HA ALA 34 -3.480 -3.495 0.773 966 HB1 ALA 34 3HB ALA 34 -4.810 -4.154 3.399 967 HB2 ALA 34 1HB ALA 34 -3.075 -4.008 3.118 968 HB3 ALA 34 2HB ALA 34 -3.988 -5.307 2.349 969 H THR 35 H THR 35 -6.639 -2.564 1.965 970 HA THR 35 HA THR 35 -8.097 -4.518 0.471 971 HB THR 35 HB THR 35 -9.110 -1.871 1.544 972 HG1 THR 35 1HG THR 35 -8.092 -3.262 3.152 973 HG21 THR 35 3HG2 THR 35 -11.277 -3.037 1.618 974 HG22 THR 35 1HG2 THR 35 -10.531 -4.455 0.881 975 HG23 THR 35 2HG2 THR 35 -10.637 -2.943 -0.023 976 H ALA 36 H ALA 36 -6.953 -1.264 -0.098 977 HA ALA 36 HA ALA 36 -8.526 -0.606 -2.325 978 HB1 ALA 36 3HB ALA 36 -5.739 0.347 -1.673 979 HB2 ALA 36 1HB ALA 36 -7.236 1.049 -1.061 980 HB3 ALA 36 2HB ALA 36 -6.872 1.118 -2.784 981 H LEU 37 H LEU 37 -5.220 -1.928 -2.190 982 HA LEU 37 HA LEU 37 -4.876 -2.078 -4.967 983 HG LEU 37 HG LEU 37 -4.118 -3.529 -1.676 984 HB2 LEU 37 2HB LEU 37 -2.986 -3.590 -4.440 985 HB3 LEU 37 1HB LEU 37 -2.962 -2.083 -3.553 986 HD11 LEU 37 1HD1 LEU 37 -4.371 -5.555 -2.996 987 HD12 LEU 37 2HD1 LEU 37 -3.275 -5.831 -1.641 988 HD13 LEU 37 3HD1 LEU 37 -2.629 -5.615 -3.268 989 HD21 LEU 37 3HD2 LEU 37 -1.976 -2.393 -1.459 990 HD22 LEU 37 1HD2 LEU 37 -1.178 -3.703 -2.330 991 HD23 LEU 37 2HD2 LEU 37 -1.901 -4.006 -0.751 992 H LEU 38 H LEU 38 -6.571 -4.132 -2.794 993 HA LEU 38 HA LEU 38 -6.511 -6.462 -4.478 994 HG LEU 38 HG LEU 38 -7.526 -8.455 -3.420 995 HB2 LEU 38 2HB LEU 38 -6.773 -6.449 -1.964 996 HB3 LEU 38 1HB LEU 38 -8.396 -5.841 -2.203 997 HD11 LEU 38 1HD1 LEU 38 -8.456 -9.577 -1.443 998 HD12 LEU 38 2HD1 LEU 38 -8.644 -8.010 -0.655 999 HD13 LEU 38 3HD1 LEU 38 -7.033 -8.612 -1.050 1000 HD21 LEU 38 3HD2 LEU 38 -9.906 -8.962 -3.315 1001 HD22 LEU 38 1HD2 LEU 38 -9.634 -7.461 -4.202 1002 HD23 LEU 38 2HD2 LEU 38 -10.218 -7.409 -2.539 1003 H LYS 39 H LYS 39 -8.704 -3.763 -3.915 1004 HA LYS 39 HA LYS 39 -10.778 -5.008 -5.521 1005 HB2 LYS 39 2HB LYS 39 -10.744 -2.466 -3.898 1006 HB3 LYS 39 1HB LYS 39 -12.132 -3.065 -4.779 1007 HG2 LYS 39 2HG LYS 39 -10.756 -4.480 -2.509 1008 HG3 LYS 39 1HG LYS 39 -12.274 -3.589 -2.402 1009 HD2 LYS 39 2HD LYS 39 -11.805 -6.013 -4.134 1010 HD3 LYS 39 1HD LYS 39 -12.598 -6.038 -2.559 1011 HE2 LYS 39 2HE LYS 39 -13.546 -4.515 -4.987 1012 HE3 LYS 39 1HE LYS 39 -14.208 -6.046 -4.420 1013 HZ1 LYS 39 3HZ LYS 39 -15.596 -4.270 -3.664 1014 HZ2 LYS 39 1HZ LYS 39 -14.277 -3.442 -2.991 1015 HZ3 LYS 39 2HZ LYS 39 -14.790 -4.906 -2.316 1016 H THR 40 H THR 40 -8.626 -2.210 -5.580 1017 HA THR 40 HA THR 40 -9.147 -1.925 -8.410 1018 HB THR 40 HB THR 40 -10.844 -0.478 -7.667 1019 HG1 THR 40 1HG THR 40 -10.237 1.308 -8.724 1020 HG21 THR 40 3HG2 THR 40 -10.500 1.361 -6.074 1021 HG22 THR 40 1HG2 THR 40 -8.844 0.811 -5.809 1022 HG23 THR 40 2HG2 THR 40 -10.200 -0.213 -5.337 1023 H ALA 41 H ALA 41 -7.083 -2.624 -8.589 1024 HA ALA 41 HA ALA 41 -5.194 -0.461 -8.792 1025 HB1 ALA 41 3HB ALA 41 -4.522 -2.874 -7.106 1026 HB2 ALA 41 1HB ALA 41 -4.667 -1.212 -6.540 1027 HB3 ALA 41 2HB ALA 41 -3.364 -1.658 -7.645 1028 H ILE 42 H ILE 42 -5.244 -4.004 -8.750 1029 HA ILE 42 HA ILE 42 -3.772 -4.231 -11.202 1030 HB ILE 42 HB ILE 42 -5.368 -6.320 -9.699 1031 HG12 ILE 42 2HG1 ILE 42 -3.598 -5.366 -8.309 1032 HG13 ILE 42 1HG1 ILE 42 -3.213 -7.021 -8.759 1033 HG21 ILE 42 1HG2 ILE 42 -3.237 -6.650 -11.802 1034 HG22 ILE 42 2HG2 ILE 42 -4.960 -6.961 -12.008 1035 HG23 ILE 42 3HG2 ILE 42 -4.012 -7.954 -10.900 1036 HD11 ILE 42 3HD1 ILE 42 -2.068 -4.541 -10.025 1037 HD12 ILE 42 1HD1 ILE 42 -1.674 -6.203 -10.465 1038 HD13 ILE 42 2HD1 ILE 42 -1.255 -5.591 -8.865 1039 H GLU 43 H GLU 43 -4.630 -3.929 -13.169 1040 HA GLU 43 HA GLU 43 -7.561 -4.062 -13.398 1041 HB2 GLU 43 2HB GLU 43 -7.323 -2.601 -15.369 1042 HB3 GLU 43 1HB GLU 43 -6.697 -1.866 -13.903 1043 HG2 GLU 43 2HG GLU 43 -4.952 -3.236 -15.926 1044 HG3 GLU 43 1HG GLU 43 -5.346 -1.519 -15.985 1045 H ILE 44 H ILE 44 -8.264 -4.478 -15.732 1046 HA ILE 44 HA ILE 44 -6.742 -6.693 -16.890 1047 HB ILE 44 HB ILE 44 -8.266 -7.774 -15.384 1048 HG12 ILE 44 2HG1 ILE 44 -8.015 -8.580 -17.871 1049 HG13 ILE 44 1HG1 ILE 44 -9.176 -9.352 -16.801 1050 HG21 ILE 44 1HG2 ILE 44 -10.697 -7.487 -15.507 1051 HG22 ILE 44 2HG2 ILE 44 -10.469 -6.185 -16.675 1052 HG23 ILE 44 3HG2 ILE 44 -9.856 -6.010 -15.032 1053 HD11 ILE 44 3HD1 ILE 44 -10.080 -8.950 -19.040 1054 HD12 ILE 44 1HD1 ILE 44 -9.829 -7.218 -18.823 1055 HD13 ILE 44 2HD1 ILE 44 -10.980 -8.076 -17.799 1056 H VAL 45 H VAL 45 -6.606 -6.518 -19.007 1057 HA VAL 45 HA VAL 45 -8.490 -4.753 -20.397 1058 HB VAL 45 HB VAL 45 -6.840 -4.914 -22.313 1059 HG11 VAL 45 1HG1 VAL 45 -6.960 -2.963 -20.855 1060 HG12 VAL 45 2HG1 VAL 45 -5.291 -3.291 -21.319 1061 HG13 VAL 45 3HG1 VAL 45 -5.863 -3.735 -19.710 1062 HG21 VAL 45 3HG2 VAL 45 -5.072 -6.115 -20.174 1063 HG22 VAL 45 1HG2 VAL 45 -4.547 -5.596 -21.776 1064 HG23 VAL 45 2HG2 VAL 45 -5.666 -6.947 -21.610 1065 H SER 46 H SER 46 -10.161 -5.722 -21.272 1066 HA SER 46 HA SER 46 -9.948 -8.560 -21.931 1067 HG SER 46 HG SER 46 -12.595 -6.002 -21.968 1068 HB2 SER 46 2HB SER 46 -12.532 -8.272 -22.078 1069 HB3 SER 46 1HB SER 46 -11.745 -8.297 -20.502 1070 H GLU 47 H GLU 47 -9.749 -9.197 -23.917 1071 HA GLU 47 HA GLU 47 -10.529 -7.497 -26.133 1072 HB2 GLU 47 2HB GLU 47 -8.907 -9.950 -25.806 1073 HB3 GLU 47 1HB GLU 47 -9.795 -9.810 -27.317 1074 HG2 GLU 47 2HG GLU 47 -7.900 -7.731 -26.245 1075 HG3 GLU 47 1HG GLU 47 -7.488 -8.954 -27.447 1076 H GLU 48 H GLU 48 -12.502 -7.487 -26.833 1077 HA GLU 48 HA GLU 48 -14.504 -9.261 -25.971 1078 HB2 GLU 48 2HB GLU 48 -14.884 -6.944 -26.808 1079 HB3 GLU 48 1HB GLU 48 -14.537 -7.510 -28.434 1080 HG2 GLU 48 2HG GLU 48 -16.433 -9.114 -28.196 1081 HG3 GLU 48 1HG GLU 48 -16.832 -8.321 -26.672 1082 H ASP 49 H ASP 49 -12.343 -9.289 -28.680 1083 HA ASP 49 HA ASP 49 -13.725 -11.268 -30.185 1084 HB2 ASP 49 2HB ASP 49 -12.047 -9.722 -31.179 1085 HB3 ASP 49 1HB ASP 49 -10.783 -10.577 -30.295 1086 H GLY 50 H GLY 50 -10.777 -11.463 -28.154 1087 HA2 GLY 50 2HA GLY 50 -11.557 -13.947 -27.047 1088 HA3 GLY 50 1HA GLY 50 -10.446 -14.218 -28.375 1089 H GLY 51 H GLY 51 -10.797 -12.724 -25.192 1090 HA2 GLY 51 2HA GLY 51 -8.969 -13.921 -23.830 1091 HA3 GLY 51 1HA GLY 51 -7.887 -13.024 -24.872 1092 H ALA 52 H ALA 52 -9.146 -13.087 -21.927 1093 HA ALA 52 HA ALA 52 -9.096 -10.162 -21.600 1094 HB1 ALA 52 3HB ALA 52 -10.172 -10.540 -19.444 1095 HB2 ALA 52 1HB ALA 52 -10.099 -12.284 -19.700 1096 HB3 ALA 52 2HB ALA 52 -11.104 -11.279 -20.746 1097 H HIS 53 H HIS 53 -7.354 -9.257 -20.628 1098 HA HIS 53 HA HIS 53 -5.399 -11.144 -19.478 1099 HD1 HIS 53 1HD HIS 53 -3.796 -12.094 -21.463 1100 HD2 HIS 53 2HD HIS 53 -5.347 -8.781 -23.448 1101 HE1 HIS 53 1HE HIS 53 -3.977 -12.771 -23.873 1102 HE2 HIS 53 2HE HIS 53 -4.710 -10.681 -25.087 1103 HB2 HIS 53 2HB HIS 53 -4.838 -8.487 -20.810 1104 HB3 HIS 53 1HB HIS 53 -3.639 -9.626 -20.207 1105 H ASN 54 H ASN 54 -5.559 -11.021 -17.335 1106 HA ASN 54 HA ASN 54 -5.833 -8.431 -16.009 1107 HB2 ASN 54 2HB ASN 54 -7.081 -10.437 -15.176 1108 HB3 ASN 54 1HB ASN 54 -5.540 -11.201 -14.814 1109 HD21 ASN 54 2HD2 ASN 54 -6.175 -7.840 -12.604 1110 HD22 ASN 54 1HD2 ASN 54 -6.271 -7.791 -14.329 1111 H GLN 55 H GLN 55 -4.068 -7.283 -15.499 1112 HA GLN 55 HA GLN 55 -1.485 -8.612 -15.938 1113 HB2 GLN 55 2HB GLN 55 -2.133 -5.663 -16.007 1114 HB3 GLN 55 1HB GLN 55 -0.616 -6.412 -16.486 1115 HG2 GLN 55 2HG GLN 55 -1.768 -7.553 -18.321 1116 HG3 GLN 55 1HG GLN 55 -3.279 -6.783 -17.839 1117 HE21 GLN 55 2HE2 GLN 55 -2.525 -3.663 -19.231 1118 HE22 GLN 55 1HE2 GLN 55 -3.536 -4.565 -18.152 1119 H CYS 56 H CYS 56 -0.329 -9.071 -14.194 1120 HA CYS 56 HA CYS 56 -0.583 -7.404 -11.810 1121 HG CYS 56 HG CYS 56 -2.116 -9.832 -12.175 1122 HB2 CYS 56 2HB CYS 56 1.029 -9.930 -12.238 1123 HB3 CYS 56 1HB CYS 56 0.763 -9.116 -10.698 1124 H LYS 57 H LYS 57 0.350 -5.554 -12.713 1125 HA LYS 57 HA LYS 57 2.771 -5.598 -14.200 1126 HB2 LYS 57 2HB LYS 57 2.584 -3.089 -14.001 1127 HB3 LYS 57 1HB LYS 57 1.198 -3.908 -14.707 1128 HG2 LYS 57 2HG LYS 57 0.062 -3.800 -12.517 1129 HG3 LYS 57 1HG LYS 57 1.431 -2.889 -11.882 1130 HD2 LYS 57 2HD LYS 57 -0.446 -1.436 -12.535 1131 HD3 LYS 57 1HD LYS 57 1.015 -1.102 -13.464 1132 HE2 LYS 57 2HE LYS 57 0.156 -2.221 -15.375 1133 HE3 LYS 57 1HE LYS 57 -1.187 -2.900 -14.456 1134 HZ1 LYS 57 3HZ LYS 57 -0.822 0.017 -14.860 1135 HZ2 LYS 57 1HZ LYS 57 -2.195 -0.788 -14.266 1136 HZ3 LYS 57 2HZ LYS 57 -1.751 -0.951 -15.896 1137 H LEU 58 H LEU 58 2.447 -5.991 -10.950 1138 HA LEU 58 HA LEU 58 4.704 -4.320 -10.195 1139 HG LEU 58 HG LEU 58 3.942 -3.233 -8.119 1140 HB2 LEU 58 2HB LEU 58 2.672 -5.909 -8.721 1141 HB3 LEU 58 1HB LEU 58 4.229 -5.678 -7.950 1142 HD11 LEU 58 1HD1 LEU 58 2.493 -3.165 -10.086 1143 HD12 LEU 58 2HD1 LEU 58 1.798 -2.282 -8.725 1144 HD13 LEU 58 3HD1 LEU 58 1.185 -3.883 -9.144 1145 HD21 LEU 58 3HD2 LEU 58 2.202 -3.033 -6.420 1146 HD22 LEU 58 1HD2 LEU 58 3.271 -4.398 -6.097 1147 HD23 LEU 58 2HD2 LEU 58 1.666 -4.676 -6.772 1148 H CYS 59 H CYS 59 4.102 -7.569 -11.150 1149 HA CYS 59 HA CYS 59 6.799 -8.315 -10.263 1150 HG CYS 59 HG CYS 59 2.937 -9.168 -8.888 1151 HB2 CYS 59 2HB CYS 59 5.761 -10.663 -9.907 1152 HB3 CYS 59 1HB CYS 59 5.526 -9.430 -8.672 1153 H GLY 60 H GLY 60 4.093 -9.348 -12.337 1154 HA2 GLY 60 2HA GLY 60 4.732 -9.533 -14.763 1155 HA3 GLY 60 1HA GLY 60 6.108 -10.463 -14.183 1156 H ALA 61 H ALA 61 2.587 -10.402 -13.793 1157 HA ALA 61 HA ALA 61 2.519 -13.259 -14.441 1158 HB1 ALA 61 3HB ALA 61 1.091 -12.018 -12.089 1159 HB2 ALA 61 1HB ALA 61 2.461 -13.126 -12.004 1160 HB3 ALA 61 2HB ALA 61 0.916 -13.683 -12.644 1161 H SER 62 H SER 62 0.603 -13.935 -15.446 1162 HA SER 62 HA SER 62 -1.257 -11.769 -16.123 1163 HG SER 62 HG SER 62 0.739 -11.518 -17.336 1164 HB2 SER 62 2HB SER 62 -0.277 -13.922 -18.010 1165 HB3 SER 62 1HB SER 62 -1.422 -12.636 -18.403 1166 H VAL 63 H VAL 63 -3.262 -12.169 -15.616 1167 HA VAL 63 HA VAL 63 -4.111 -14.951 -15.171 1168 HB VAL 63 HB VAL 63 -5.319 -12.371 -14.143 1169 HG11 VAL 63 1HG1 VAL 63 -6.044 -15.228 -13.505 1170 HG12 VAL 63 2HG1 VAL 63 -7.012 -14.091 -14.443 1171 HG13 VAL 63 3HG1 VAL 63 -6.719 -13.796 -12.730 1172 HG21 VAL 63 3HG2 VAL 63 -3.708 -14.477 -12.705 1173 HG22 VAL 63 1HG2 VAL 63 -4.514 -13.104 -11.947 1174 HG23 VAL 63 2HG2 VAL 63 -3.190 -12.834 -13.080 1175 HA PRO 64 HA PRO 64 -6.555 -14.508 -18.883 1176 HB2 PRO 64 1HB PRO 64 -7.114 -16.662 -19.343 1177 HB3 PRO 64 2HB PRO 64 -8.068 -16.819 -17.865 1178 HG2 PRO 64 2HG PRO 64 -6.267 -18.153 -17.281 1179 HG3 PRO 64 1HG PRO 64 -5.137 -17.225 -18.284 1180 HD2 PRO 64 2HD PRO 64 -6.237 -16.575 -15.573 1181 HD3 PRO 64 1HD PRO 64 -4.580 -16.392 -16.189 1182 H TRP 65 H TRP 65 -7.641 -14.088 -15.750 1183 HA TRP 65 HA TRP 65 -9.374 -13.013 -14.806 1184 HD1 TRP 65 HD TRP 65 -12.429 -11.920 -17.859 1185 HE1 TRP 65 1HE TRP 65 -14.163 -10.451 -16.629 1186 HE3 TRP 65 3HE TRP 65 -9.513 -10.330 -13.983 1187 HZ2 TRP 65 2HZ TRP 65 -14.257 -8.839 -14.320 1188 HZ3 TRP 65 3HZ TRP 65 -10.498 -8.829 -12.302 1189 HH2 TRP 65 HH TRP 65 -12.821 -8.099 -12.467 1190 HB2 TRP 65 2HB TRP 65 -9.028 -11.323 -16.478 1191 HB3 TRP 65 1HB TRP 65 -9.895 -12.263 -17.686 1192 H LEU 66 H LEU 66 -11.701 -13.103 -14.462 1193 HA LEU 66 HA LEU 66 -13.759 -14.036 -14.388 1194 HG LEU 66 HG LEU 66 -15.088 -16.347 -15.920 1195 HB2 LEU 66 2HB LEU 66 -13.653 -13.868 -16.869 1196 HB3 LEU 66 1HB LEU 66 -13.003 -15.494 -16.918 1197 HD11 LEU 66 1HD1 LEU 66 -17.043 -14.892 -15.774 1198 HD12 LEU 66 2HD1 LEU 66 -16.044 -13.502 -16.201 1199 HD13 LEU 66 3HD1 LEU 66 -15.759 -14.362 -14.688 1200 HD21 LEU 66 3HD2 LEU 66 -16.505 -16.000 -17.898 1201 HD22 LEU 66 1HD2 LEU 66 -14.832 -16.346 -18.331 1202 HD23 LEU 66 2HD2 LEU 66 -15.442 -14.692 -18.417 1203 H GLN 67 H GLN 67 -10.925 -15.909 -14.456 1204 HA GLN 67 HA GLN 67 -12.163 -18.389 -13.650 1205 HB2 GLN 67 2HB GLN 67 -9.258 -17.540 -13.597 1206 HB3 GLN 67 1HB GLN 67 -9.850 -19.174 -13.329 1207 HG2 GLN 67 2HG GLN 67 -10.779 -19.146 -15.635 1208 HG3 GLN 67 1HG GLN 67 -10.001 -17.581 -15.875 1209 HE21 GLN 67 2HE2 GLN 67 -6.749 -19.443 -15.208 1210 HE22 GLN 67 1HE2 GLN 67 -7.692 -18.400 -14.208 1211 H THR 68 H THR 68 -12.851 -16.148 -12.031 1212 HA THR 68 HA THR 68 -13.226 -15.663 -9.844 1213 HB THR 68 HB THR 68 -11.469 -18.023 -9.139 1214 HG1 THR 68 1HG THR 68 -13.479 -18.331 -10.550 1215 HG21 THR 68 3HG2 THR 68 -13.621 -16.573 -7.587 1216 HG22 THR 68 1HG2 THR 68 -11.888 -16.525 -7.261 1217 HG23 THR 68 2HG2 THR 68 -12.782 -18.031 -7.053 1218 H GLY 69 H GLY 69 -9.862 -16.619 -10.457 1219 HA2 GLY 69 2HA GLY 69 -8.720 -14.129 -10.081 1220 HA3 GLY 69 1HA GLY 69 -8.733 -14.899 -8.499 1221 H ASP 70 H ASP 70 -8.509 -17.565 -9.804 1222 HA ASP 70 HA ASP 70 -7.041 -19.040 -10.718 1223 HB2 ASP 70 2HB ASP 70 -6.550 -17.341 -12.467 1224 HB3 ASP 70 1HB ASP 70 -5.297 -16.670 -11.429 1225 H GLU 71 H GLU 71 -6.053 -16.617 -8.494 1226 HA GLU 71 HA GLU 71 -4.745 -16.555 -6.692 1227 HB2 GLU 71 2HB GLU 71 -5.378 -19.496 -6.800 1228 HB3 GLU 71 1HB GLU 71 -4.545 -18.726 -5.470 1229 HG2 GLU 71 2HG GLU 71 -6.804 -18.914 -4.830 1230 HG3 GLU 71 1HG GLU 71 -6.515 -17.218 -5.197 1231 H ILE 72 H ILE 72 -3.400 -16.887 -9.281 1232 HA ILE 72 HA ILE 72 -1.072 -18.433 -9.000 1233 HB ILE 72 HB ILE 72 -1.633 -17.537 -11.158 1234 HG12 ILE 72 2HG1 ILE 72 0.877 -16.195 -10.130 1235 HG13 ILE 72 1HG1 ILE 72 0.763 -17.841 -10.745 1236 HG21 ILE 72 1HG2 ILE 72 -1.328 -14.802 -9.931 1237 HG22 ILE 72 2HG2 ILE 72 -2.816 -15.543 -10.523 1238 HG23 ILE 72 3HG2 ILE 72 -1.530 -15.120 -11.655 1239 HD11 ILE 72 3HD1 ILE 72 0.263 -15.332 -12.337 1240 HD12 ILE 72 1HD1 ILE 72 0.193 -16.984 -12.950 1241 HD13 ILE 72 2HD1 ILE 72 1.726 -16.317 -12.386 1242 H LYS 73 H LYS 73 0.702 -18.179 -7.739 1243 HA LYS 73 HA LYS 73 0.757 -16.120 -5.781 1244 HB2 LYS 73 2HB LYS 73 1.758 -18.369 -5.380 1245 HB3 LYS 73 1HB LYS 73 3.028 -17.977 -6.536 1246 HG2 LYS 73 2HG LYS 73 3.537 -15.965 -5.085 1247 HG3 LYS 73 1HG LYS 73 2.476 -16.684 -3.880 1248 HD2 LYS 73 2HD LYS 73 3.899 -18.595 -3.674 1249 HD3 LYS 73 1HD LYS 73 4.891 -18.063 -5.040 1250 HE2 LYS 73 2HE LYS 73 5.568 -16.080 -3.795 1251 HE3 LYS 73 1HE LYS 73 4.544 -16.559 -2.444 1252 HZ1 LYS 73 3HZ LYS 73 5.926 -18.464 -2.068 1253 HZ2 LYS 73 1HZ LYS 73 6.899 -17.074 -2.112 1254 HZ3 LYS 73 2HZ LYS 73 6.865 -18.126 -3.439 1255 H HIS 74 H HIS 74 2.367 -14.498 -5.493 1256 HA HIS 74 HA HIS 74 3.538 -13.591 -8.032 1257 HD1 HIS 74 1HD HIS 74 1.878 -12.699 -9.526 1258 HD2 HIS 74 2HD HIS 74 -0.309 -11.687 -6.135 1259 HE1 HIS 74 1HE HIS 74 -0.537 -12.738 -10.234 1260 HE2 HIS 74 2HE HIS 74 -1.848 -12.323 -8.122 1261 HB2 HIS 74 2HB HIS 74 2.368 -11.859 -5.840 1262 HB3 HIS 74 1HB HIS 74 3.130 -11.275 -7.318 1263 H ALA 75 H ALA 75 5.326 -11.960 -7.623 1264 HA ALA 75 HA ALA 75 7.435 -13.268 -6.426 1265 HB1 ALA 75 3HB ALA 75 7.702 -11.574 -8.163 1266 HB2 ALA 75 1HB ALA 75 8.706 -11.213 -6.760 1267 HB3 ALA 75 2HB ALA 75 7.208 -10.323 -7.023 1268 H ASP 76 H ASP 76 8.271 -13.377 -4.463 1269 HA ASP 76 HA ASP 76 6.882 -12.368 -2.205 1270 HB2 ASP 76 2HB ASP 76 9.602 -13.667 -2.456 1271 HB3 ASP 76 1HB ASP 76 8.799 -13.328 -0.934 1272 H ASP 77 H ASP 77 9.199 -11.046 -4.265 1273 HA ASP 77 HA ASP 77 10.356 -9.232 -2.323 1274 HB2 ASP 77 2HB ASP 77 10.704 -9.585 -5.298 1275 HB3 ASP 77 1HB ASP 77 11.435 -8.244 -4.424 1276 H CYS 78 H CYS 78 7.469 -9.373 -3.849 1277 HA CYS 78 HA CYS 78 7.232 -6.485 -4.256 1278 HG CYS 78 HG CYS 78 7.855 -7.878 -6.553 1279 HB2 CYS 78 2HB CYS 78 5.302 -8.740 -4.856 1280 HB3 CYS 78 1HB CYS 78 4.996 -7.040 -5.191 1281 HA PRO 79 HA PRO 79 5.416 -5.841 -0.280 1282 HB2 PRO 79 1HB PRO 79 5.521 -3.584 -0.642 1283 HB3 PRO 79 2HB PRO 79 3.776 -3.731 -0.874 1284 HG2 PRO 79 2HG PRO 79 3.955 -3.778 -3.184 1285 HG3 PRO 79 1HG PRO 79 5.322 -2.718 -2.788 1286 HD2 PRO 79 2HD PRO 79 5.646 -4.939 -4.265 1287 HD3 PRO 79 1HD PRO 79 6.885 -4.405 -3.109 1288 H VAL 80 H VAL 80 3.634 -6.771 -3.011 1289 HA VAL 80 HA VAL 80 0.995 -6.760 -2.117 1290 HB VAL 80 HB VAL 80 2.296 -8.875 -3.844 1291 HG11 VAL 80 1HG1 VAL 80 -0.578 -7.982 -3.644 1292 HG12 VAL 80 2HG1 VAL 80 0.077 -9.508 -3.051 1293 HG13 VAL 80 3HG1 VAL 80 0.057 -9.170 -4.781 1294 HG21 VAL 80 3HG2 VAL 80 1.032 -6.255 -4.632 1295 HG22 VAL 80 1HG2 VAL 80 1.574 -7.509 -5.745 1296 HG23 VAL 80 2HG2 VAL 80 2.746 -6.662 -4.735 1297 H VAL 81 H VAL 81 3.572 -9.142 -1.625 1298 HA VAL 81 HA VAL 81 1.955 -11.059 -0.303 1299 HB VAL 81 HB VAL 81 4.195 -11.511 -1.330 1300 HG11 VAL 81 1HG1 VAL 81 6.210 -11.173 0.018 1301 HG12 VAL 81 2HG1 VAL 81 5.258 -10.241 1.173 1302 HG13 VAL 81 3HG1 VAL 81 5.464 -9.651 -0.477 1303 HG21 VAL 81 3HG2 VAL 81 3.115 -13.145 0.100 1304 HG22 VAL 81 1HG2 VAL 81 3.832 -12.389 1.524 1305 HG23 VAL 81 2HG2 VAL 81 4.864 -13.179 0.332 1306 H ILE 82 H ILE 82 3.953 -8.406 0.788 1307 HA ILE 82 HA ILE 82 3.746 -8.767 3.559 1308 HB ILE 82 HB ILE 82 3.918 -6.150 2.045 1309 HG12 ILE 82 2HG1 ILE 82 5.747 -7.752 1.528 1310 HG13 ILE 82 1HG1 ILE 82 6.318 -6.301 2.348 1311 HG21 ILE 82 1HG2 ILE 82 3.218 -5.814 4.350 1312 HG22 ILE 82 2HG2 ILE 82 4.869 -5.239 4.110 1313 HG23 ILE 82 3HG2 ILE 82 4.580 -6.780 4.918 1314 HD11 ILE 82 3HD1 ILE 82 7.420 -8.285 3.197 1315 HD12 ILE 82 1HD1 ILE 82 5.859 -8.988 3.625 1316 HD13 ILE 82 2HD1 ILE 82 6.427 -7.534 4.447 1317 H ALA 83 H ALA 83 1.756 -6.760 1.394 1318 HA ALA 83 HA ALA 83 -0.042 -5.819 3.304 1319 HB1 ALA 83 3HB ALA 83 0.136 -4.895 1.048 1320 HB2 ALA 83 1HB ALA 83 -1.528 -5.332 1.434 1321 HB3 ALA 83 2HB ALA 83 -0.564 -6.373 0.387 1322 H LYS 84 H LYS 84 -0.213 -8.744 1.291 1323 HA LYS 84 HA LYS 84 -2.783 -9.551 2.132 1324 HB2 LYS 84 2HB LYS 84 -0.535 -10.816 0.690 1325 HB3 LYS 84 1HB LYS 84 -1.637 -11.920 1.495 1326 HG2 LYS 84 2HG LYS 84 -2.273 -11.576 -0.821 1327 HG3 LYS 84 1HG LYS 84 -3.511 -10.957 0.272 1328 HD2 LYS 84 2HD LYS 84 -2.766 -8.700 -0.073 1329 HD3 LYS 84 1HD LYS 84 -1.390 -9.255 -1.029 1330 HE2 LYS 84 2HE LYS 84 -3.099 -8.462 -2.515 1331 HE3 LYS 84 1HE LYS 84 -2.991 -10.217 -2.660 1332 HZ1 LYS 84 3HZ LYS 84 -4.899 -10.390 -1.136 1333 HZ2 LYS 84 1HZ LYS 84 -5.275 -9.548 -2.561 1334 HZ3 LYS 84 2HZ LYS 84 -5.022 -8.700 -1.123 1335 H GLN 85 H GLN 85 0.434 -10.243 3.431 1336 HA GLN 85 HA GLN 85 -0.350 -12.137 5.345 1337 HB2 GLN 85 2HB GLN 85 1.937 -10.178 5.246 1338 HB3 GLN 85 1HB GLN 85 1.758 -11.369 6.517 1339 HG2 GLN 85 2HG GLN 85 1.923 -13.166 4.914 1340 HG3 GLN 85 1HG GLN 85 1.987 -12.003 3.591 1341 HE21 GLN 85 2HE2 GLN 85 5.359 -11.228 3.988 1342 HE22 GLN 85 1HE2 GLN 85 3.844 -10.791 3.279 1343 H ILE 86 H ILE 86 -0.153 -8.622 5.435 1344 HA ILE 86 HA ILE 86 -0.746 -8.311 8.188 1345 HB ILE 86 HB ILE 86 -1.128 -6.345 5.920 1346 HG12 ILE 86 2HG1 ILE 86 1.163 -6.653 7.875 1347 HG13 ILE 86 1HG1 ILE 86 1.189 -7.200 6.201 1348 HG21 ILE 86 1HG2 ILE 86 -1.010 -5.893 8.897 1349 HG22 ILE 86 2HG2 ILE 86 -2.433 -5.713 7.872 1350 HG23 ILE 86 3HG2 ILE 86 -1.059 -4.623 7.674 1351 HD11 ILE 86 3HD1 ILE 86 2.356 -5.084 6.477 1352 HD12 ILE 86 1HD1 ILE 86 0.885 -4.349 7.116 1353 HD13 ILE 86 2HD1 ILE 86 0.939 -4.902 5.442 1354 H LEU 87 H LEU 87 -2.789 -8.153 5.265 1355 HA LEU 87 HA LEU 87 -5.129 -7.497 6.752 1356 HG LEU 87 HG LEU 87 -3.803 -9.034 3.630 1357 HB2 LEU 87 2HB LEU 87 -6.353 -7.848 4.671 1358 HB3 LEU 87 1HB LEU 87 -4.952 -6.827 4.442 1359 HD11 LEU 87 1HD1 LEU 87 -5.586 -10.560 4.252 1360 HD12 LEU 87 2HD1 LEU 87 -5.362 -10.551 2.503 1361 HD13 LEU 87 3HD1 LEU 87 -6.718 -9.682 3.221 1362 HD21 LEU 87 3HD2 LEU 87 -4.230 -7.065 2.251 1363 HD22 LEU 87 1HD2 LEU 87 -5.883 -7.613 1.976 1364 HD23 LEU 87 2HD2 LEU 87 -4.528 -8.555 1.355 1365 H SER 88 H SER 88 -3.533 -10.457 6.055 1366 HA SER 88 HA SER 88 -5.860 -12.090 6.580 1367 HG SER 88 HG SER 88 -4.519 -14.749 5.360 1368 HB2 SER 88 2HB SER 88 -3.958 -12.751 5.023 1369 HB3 SER 88 1HB SER 88 -2.978 -12.998 6.466 1370 H SER 89 H SER 89 -2.645 -12.090 8.109 1371 HA SER 89 HA SER 89 -1.969 -12.565 10.224 1372 HG SER 89 HG SER 89 -1.754 -11.183 12.229 1373 HB2 SER 89 2HB SER 89 -2.635 -10.183 10.370 1374 HB3 SER 89 1HB SER 89 -4.233 -10.682 10.920 1375 H ARG 90 H ARG 90 -2.484 -14.770 10.339 1376 HA ARG 90 HA ARG 90 -4.909 -15.371 11.890 1377 HE ARG 90 HE ARG 90 -6.084 -14.401 10.893 1378 HB2 ARG 90 2HB ARG 90 -3.484 -17.124 9.880 1379 HB3 ARG 90 1HB ARG 90 -4.827 -17.648 10.884 1380 HG2 ARG 90 2HG ARG 90 -5.013 -15.367 8.932 1381 HG3 ARG 90 1HG ARG 90 -5.405 -17.036 8.523 1382 HD2 ARG 90 2HD ARG 90 -7.435 -15.866 9.062 1383 HD3 ARG 90 1HD ARG 90 -7.094 -17.034 10.335 1384 HH11 ARG 90 1HH1 ARG 90 -8.960 -16.408 11.014 1385 HH12 ARG 90 2HH1 ARG 90 -9.638 -15.572 12.381 1386 HH21 ARG 90 2HH2 ARG 90 -8.469 -13.820 13.362 1387 HH22 ARG 90 1HH2 ARG 90 -6.953 -13.310 12.677 1388 HA PRO 91 HA PRO 91 -1.549 -16.760 14.612 1389 HB2 PRO 91 1HB PRO 91 -1.467 -14.708 15.625 1390 HB3 PRO 91 2HB PRO 91 -2.439 -15.530 16.847 1391 HG2 PRO 91 2HG PRO 91 -4.316 -14.394 16.260 1392 HG3 PRO 91 1HG PRO 91 -3.228 -13.295 15.403 1393 HD2 PRO 91 2HD PRO 91 -5.158 -15.126 14.297 1394 HD3 PRO 91 1HD PRO 91 -4.109 -13.981 13.440 1395 H LYS 92 H LYS 92 -1.598 -18.620 15.714 1396 HA LYS 92 HA LYS 92 -4.216 -19.639 16.612 1397 HB2 LYS 92 2HB LYS 92 -1.724 -21.129 15.756 1398 HB3 LYS 92 1HB LYS 92 -3.138 -21.900 16.453 1399 HG2 LYS 92 2HG LYS 92 -3.103 -20.352 13.868 1400 HG3 LYS 92 1HG LYS 92 -3.055 -22.110 14.014 1401 HD2 LYS 92 2HD LYS 92 -5.237 -21.941 15.279 1402 HD3 LYS 92 1HD LYS 92 -5.296 -20.249 14.778 1403 HE2 LYS 92 2HE LYS 92 -6.602 -21.514 13.228 1404 HE3 LYS 92 1HE LYS 92 -5.118 -21.030 12.408 1405 HZ1 LYS 92 3HZ LYS 92 -5.652 -23.702 13.604 1406 HZ2 LYS 92 1HZ LYS 92 -4.212 -23.245 12.830 1407 HZ3 LYS 92 2HZ LYS 92 -5.656 -23.341 11.946 1408 H LEU 93 H LEU 93 -3.983 -21.253 18.470 1409 HA LEU 93 HA LEU 93 -2.210 -20.131 20.502 1410 HG LEU 93 HG LEU 93 -5.345 -19.986 20.324 1411 HB2 LEU 93 2HB LEU 93 -4.392 -22.213 20.710 1412 HB3 LEU 93 1HB LEU 93 -3.463 -21.589 22.061 1413 HD11 LEU 93 1HD1 LEU 93 -5.588 -20.885 23.191 1414 HD12 LEU 93 2HD1 LEU 93 -6.493 -21.535 21.825 1415 HD13 LEU 93 3HD1 LEU 93 -6.729 -19.859 22.321 1416 HD21 LEU 93 3HD2 LEU 93 -3.771 -19.170 22.764 1417 HD22 LEU 93 1HD2 LEU 93 -4.962 -18.180 21.918 1418 HD23 LEU 93 2HD2 LEU 93 -3.464 -18.643 21.109 1419 H HIS 94 H HIS 94 -0.778 -21.476 21.709 1420 HA HIS 94 HA HIS 94 -0.059 -23.990 20.386 1421 HD1 HIS 94 1HD HIS 94 3.756 -21.870 22.007 1422 HD2 HIS 94 2HD HIS 94 0.592 -19.783 20.286 1423 HE1 HIS 94 1HE HIS 94 4.053 -19.467 22.712 1424 HE2 HIS 94 2HE HIS 94 2.035 -18.259 21.794 1425 HB2 HIS 94 2HB HIS 94 2.371 -23.311 20.546 1426 HB3 HIS 94 1HB HIS 94 1.423 -22.468 19.328 1427 H ALA 95 H ALA 95 0.925 -25.511 21.660 1428 HA ALA 95 HA ALA 95 0.170 -25.385 24.402 1429 HB1 ALA 95 3HB ALA 95 0.062 -27.463 23.099 1430 HB2 ALA 95 1HB ALA 95 1.055 -27.655 24.546 1431 HB3 ALA 95 2HB ALA 95 1.821 -27.465 22.969 1432 H VAL 96 H VAL 96 1.263 -24.464 25.974 1433 HA VAL 96 HA VAL 96 4.196 -24.402 25.817 1434 HB VAL 96 HB VAL 96 3.985 -22.436 27.454 1435 HG11 VAL 96 1HG1 VAL 96 3.054 -22.135 24.601 1436 HG12 VAL 96 2HG1 VAL 96 4.727 -22.162 25.163 1437 HG13 VAL 96 3HG1 VAL 96 3.665 -20.829 25.617 1438 HG21 VAL 96 3HG2 VAL 96 1.925 -21.133 27.316 1439 HG22 VAL 96 1HG2 VAL 96 1.613 -22.726 28.002 1440 HG23 VAL 96 2HG2 VAL 96 1.185 -22.389 26.324 Start of MODEL 19 1 HA MET 1 HA MET 1 7.770 20.676 -8.752 2 H1 MET 1 1H MET 1 5.624 19.675 -6.971 3 H2 MET 1 2H MET 1 6.905 18.774 -7.627 4 H3 MET 1 3H MET 1 5.702 19.401 -8.643 5 HB2 MET 1 2HB MET 1 5.622 21.762 -9.232 6 HB3 MET 1 1HB MET 1 5.412 22.127 -7.524 7 HG2 MET 1 2HG MET 1 7.512 23.482 -7.652 8 HG3 MET 1 1HG MET 1 7.480 23.245 -9.399 9 HE1 MET 1 3HE MET 1 5.734 24.869 -6.297 10 HE2 MET 1 1HE MET 1 4.468 23.799 -6.896 11 HE3 MET 1 2HE MET 1 4.267 25.547 -7.006 12 H GLY 2 H GLY 2 9.474 21.569 -7.723 13 HA2 GLY 2 2HA GLY 2 10.542 22.762 -6.010 14 HA3 GLY 2 1HA GLY 2 9.181 22.430 -4.950 15 H SER 3 H SER 3 9.259 20.723 -3.601 16 HA SER 3 HA SER 3 11.853 19.619 -3.106 17 HG SER 3 HG SER 3 11.107 20.794 -0.765 18 HB2 SER 3 2HB SER 3 9.228 18.955 -1.758 19 HB3 SER 3 1HB SER 3 10.847 18.668 -1.121 20 H SER 4 H SER 4 12.564 17.558 -3.351 21 HA SER 4 HA SER 4 10.810 15.716 -4.837 22 HG SER 4 HG SER 4 12.149 14.431 -6.589 23 HB2 SER 4 2HB SER 4 12.907 16.457 -5.994 24 HB3 SER 4 1HB SER 4 13.841 15.722 -4.695 25 H HIS 5 H HIS 5 12.242 13.374 -4.404 26 HA HIS 5 HA HIS 5 11.598 12.932 -1.575 27 HD1 HIS 5 1HD HIS 5 13.580 10.669 -4.395 28 HD2 HIS 5 2HD HIS 5 9.527 10.865 -5.318 29 HE1 HIS 5 1HE HIS 5 13.400 10.000 -6.814 30 HE2 HIS 5 2HE HIS 5 10.951 10.198 -7.376 31 HB2 HIS 5 2HB HIS 5 11.493 10.470 -2.301 32 HB3 HIS 5 1HB HIS 5 10.196 11.536 -2.817 33 H HIS 6 H HIS 6 13.172 12.659 -0.214 34 HA HIS 6 HA HIS 6 15.845 11.977 -1.137 35 HD1 HIS 6 1HD HIS 6 18.022 14.066 0.829 36 HD2 HIS 6 2HD HIS 6 14.133 15.175 -0.155 37 HE1 HIS 6 1HE HIS 6 18.168 16.462 0.079 38 HE2 HIS 6 2HE HIS 6 15.792 17.155 -0.394 39 HB2 HIS 6 2HB HIS 6 14.730 12.797 1.548 40 HB3 HIS 6 1HB HIS 6 16.397 12.272 1.340 41 H HIS 7 H HIS 7 16.902 10.521 0.909 42 HA HIS 7 HA HIS 7 15.282 8.081 1.074 43 HD1 HIS 7 1HD HIS 7 18.280 8.874 -2.255 44 HD2 HIS 7 2HD HIS 7 14.730 6.843 -1.479 45 HE1 HIS 7 1HE HIS 7 17.061 8.777 -4.448 46 HE2 HIS 7 2HE HIS 7 14.978 7.443 -3.990 47 HB2 HIS 7 2HB HIS 7 18.147 8.129 0.084 48 HB3 HIS 7 1HB HIS 7 17.159 6.694 0.324 49 H HIS 8 H HIS 8 17.288 6.444 2.120 50 HA HIS 8 HA HIS 8 18.597 5.953 3.892 51 HD1 HIS 8 1HD HIS 8 20.951 5.913 5.106 52 HD2 HIS 8 2HD HIS 8 19.541 9.415 6.849 53 HE1 HIS 8 1HE HIS 8 22.006 6.011 7.387 54 HE2 HIS 8 2HE HIS 8 21.273 8.221 8.354 55 HB2 HIS 8 2HB HIS 8 19.927 7.937 3.446 56 HB3 HIS 8 1HB HIS 8 18.770 8.943 4.310 57 H HIS 9 H HIS 9 17.083 4.856 4.953 58 HA HIS 9 HA HIS 9 16.181 6.115 7.449 59 HD1 HIS 9 1HD HIS 9 12.731 5.682 8.448 60 HD2 HIS 9 2HD HIS 9 14.091 7.514 4.964 61 HE1 HIS 9 1HE HIS 9 11.433 7.832 8.255 62 HE2 HIS 9 2HE HIS 9 12.195 8.879 6.093 63 HB2 HIS 9 2HB HIS 9 14.522 4.638 5.470 64 HB3 HIS 9 1HB HIS 9 14.275 4.219 7.162 65 H HIS 10 H HIS 10 15.629 4.195 9.058 66 HA HIS 10 HA HIS 10 18.005 2.562 9.072 67 HD1 HIS 10 1HD HIS 10 19.096 2.803 12.327 68 HD2 HIS 10 2HD HIS 10 16.155 5.504 11.158 69 HE1 HIS 10 1HE HIS 10 19.767 5.006 13.319 70 HE2 HIS 10 2HE HIS 10 17.844 6.547 12.821 71 HB2 HIS 10 2HB HIS 10 15.678 2.655 11.006 72 HB3 HIS 10 1HB HIS 10 17.125 1.680 11.232 73 H SER 11 H SER 11 17.867 1.127 7.406 74 HA SER 11 HA SER 11 15.548 -0.516 6.989 75 HG SER 11 HG SER 11 19.078 -1.521 5.822 76 HB2 SER 11 2HB SER 11 17.028 -1.690 5.341 77 HB3 SER 11 1HB SER 11 16.931 0.051 5.083 78 H SER 12 H SER 12 18.481 -0.663 8.786 79 HA SER 12 HA SER 12 18.171 -3.489 9.382 80 HG SER 12 HG SER 12 21.216 -1.906 8.543 81 HB2 SER 12 2HB SER 12 20.219 -1.474 10.342 82 HB3 SER 12 1HB SER 12 20.264 -3.210 10.654 83 H GLY 13 H GLY 13 16.753 -4.055 10.878 84 HA2 GLY 13 2HA GLY 13 16.865 -3.283 13.537 85 HA3 GLY 13 1HA GLY 13 15.674 -2.237 12.778 86 H ARG 14 H ARG 14 13.698 -3.012 12.263 87 HA ARG 14 HA ARG 14 11.847 -4.293 12.489 88 HE ARG 14 HE ARG 14 11.187 -5.396 7.832 89 HB2 ARG 14 2HB ARG 14 13.865 -6.183 11.374 90 HB3 ARG 14 1HB ARG 14 12.311 -6.827 11.893 91 HG2 ARG 14 2HG ARG 14 11.208 -5.137 10.430 92 HG3 ARG 14 1HG ARG 14 12.805 -4.705 9.818 93 HD2 ARG 14 2HD ARG 14 13.121 -6.832 8.854 94 HD3 ARG 14 1HD ARG 14 11.773 -7.525 9.756 95 HH11 ARG 14 1HH1 ARG 14 11.135 -8.818 8.627 96 HH12 ARG 14 2HH1 ARG 14 9.919 -9.204 7.436 97 HH21 ARG 14 2HH2 ARG 14 9.027 -7.546 6.130 98 HH22 ARG 14 1HH2 ARG 14 9.538 -5.893 6.316 99 H GLU 15 H GLU 15 13.336 -3.835 14.863 100 HA GLU 15 HA GLU 15 13.190 -6.174 16.506 101 HB2 GLU 15 2HB GLU 15 14.663 -4.257 17.039 102 HB3 GLU 15 1HB GLU 15 13.248 -3.244 17.277 103 HG2 GLU 15 2HG GLU 15 14.274 -4.044 19.380 104 HG3 GLU 15 1HG GLU 15 12.582 -4.501 19.194 105 H ASN 16 H ASN 16 11.119 -3.493 15.710 106 HA ASN 16 HA ASN 16 8.898 -4.680 17.200 107 HB2 ASN 16 2HB ASN 16 7.731 -2.505 16.392 108 HB3 ASN 16 1HB ASN 16 8.942 -2.381 17.662 109 HD21 ASN 16 2HD2 ASN 16 11.232 -0.534 15.769 110 HD22 ASN 16 1HD2 ASN 16 10.952 -1.491 17.186 111 H LEU 17 H LEU 17 7.299 -5.748 16.158 112 HA LEU 17 HA LEU 17 7.719 -6.065 13.270 113 HG LEU 17 HG LEU 17 8.931 -8.178 13.346 114 HB2 LEU 17 2HB LEU 17 6.697 -7.962 15.358 115 HB3 LEU 17 1HB LEU 17 6.419 -8.246 13.653 116 HD11 LEU 17 1HD1 LEU 17 10.300 -8.624 15.315 117 HD12 LEU 17 2HD1 LEU 17 8.891 -8.395 16.348 118 HD13 LEU 17 3HD1 LEU 17 9.525 -7.042 15.411 119 HD21 LEU 17 3HD2 LEU 17 7.759 -10.329 15.098 120 HD22 LEU 17 1HD2 LEU 17 9.236 -10.471 14.146 121 HD23 LEU 17 2HD2 LEU 17 7.683 -10.259 13.338 122 H TYR 18 H TYR 18 5.278 -5.463 15.692 123 HA TYR 18 HA TYR 18 3.400 -4.894 13.518 124 HD1 TYR 18 1HD TYR 18 2.328 -6.774 12.265 125 HD2 TYR 18 2HD TYR 18 0.023 -5.853 15.712 126 HE1 TYR 18 1HE TYR 18 0.287 -6.805 10.896 127 HE2 TYR 18 2HE TYR 18 -2.026 -5.879 14.356 128 HH TYR 18 HH TYR 18 -2.120 -7.110 11.180 129 HB2 TYR 18 2HB TYR 18 3.109 -7.219 14.748 130 HB3 TYR 18 1HB TYR 18 2.300 -6.224 15.957 131 H PHE 19 H PHE 19 1.323 -3.879 14.544 132 HA PHE 19 HA PHE 19 2.285 -1.401 15.604 133 HD1 PHE 19 1HD PHE 19 0.224 -3.451 12.926 134 HD2 PHE 19 2HD PHE 19 0.990 0.680 13.602 135 HE1 PHE 19 1HE PHE 19 0.710 -3.155 10.532 136 HE2 PHE 19 2HE PHE 19 1.479 0.985 11.213 137 HZ PHE 19 HZ PHE 19 1.338 -0.935 9.673 138 HB2 PHE 19 2HB PHE 19 -0.542 -2.287 14.974 139 HB3 PHE 19 1HB PHE 19 -0.027 -0.632 15.286 140 H GLN 20 H GLN 20 2.971 -2.814 17.566 141 HA GLN 20 HA GLN 20 0.971 -2.327 19.673 142 HB2 GLN 20 2HB GLN 20 2.901 -4.647 19.457 143 HB3 GLN 20 1HB GLN 20 1.977 -4.269 20.904 144 HG2 GLN 20 2HG GLN 20 0.730 -4.870 18.237 145 HG3 GLN 20 1HG GLN 20 1.035 -6.086 19.477 146 HE21 GLN 20 2HE2 GLN 20 -2.074 -3.499 19.816 147 HE22 GLN 20 1HE2 GLN 20 -0.852 -3.286 18.598 148 H GLY 21 H GLY 21 4.339 -2.517 18.718 149 HA2 GLY 21 2HA GLY 21 4.975 -0.379 20.592 150 HA3 GLY 21 1HA GLY 21 5.867 -1.885 20.778 151 H MET 22 H MET 22 4.778 -0.161 17.874 152 HA MET 22 HA MET 22 7.260 -0.662 16.548 153 HB2 MET 22 2HB MET 22 4.743 0.785 15.839 154 HB3 MET 22 1HB MET 22 6.183 1.037 14.860 155 HG2 MET 22 2HG MET 22 6.316 -1.325 14.382 156 HG3 MET 22 1HG MET 22 4.944 -1.643 15.442 157 HE1 MET 22 3HE MET 22 5.408 -2.415 12.243 158 HE2 MET 22 1HE MET 22 3.750 -2.240 11.668 159 HE3 MET 22 2HE MET 22 4.069 -3.033 13.210 160 H THR 23 H THR 23 8.574 1.014 15.542 161 HA THR 23 HA THR 23 8.837 3.378 17.222 162 HB THR 23 HB THR 23 11.071 1.363 16.936 163 HG1 THR 23 1HG THR 23 8.991 1.298 18.565 164 HG21 THR 23 3HG2 THR 23 12.201 2.741 18.602 165 HG22 THR 23 1HG2 THR 23 10.847 3.871 18.591 166 HG23 THR 23 2HG2 THR 23 11.840 3.670 17.146 167 H ASP 24 H ASP 24 10.259 1.517 14.491 168 HA ASP 24 HA ASP 24 10.752 4.017 13.099 169 HB2 ASP 24 2HB ASP 24 12.754 4.028 14.290 170 HB3 ASP 24 1HB ASP 24 12.933 2.279 14.198 171 H THR 25 H THR 25 11.698 0.555 12.917 172 HA THR 25 HA THR 25 12.143 0.613 10.141 173 HB THR 25 HB THR 25 11.427 -1.909 11.613 174 HG1 THR 25 1HG THR 25 13.791 -0.321 11.788 175 HG21 THR 25 3HG2 THR 25 11.888 -2.080 9.211 176 HG22 THR 25 1HG2 THR 25 13.161 -2.858 10.152 177 HG23 THR 25 2HG2 THR 25 13.434 -1.266 9.445 178 H ALA 26 H ALA 26 9.197 0.496 11.826 179 HA ALA 26 HA ALA 26 7.557 -1.044 10.191 180 HB1 ALA 26 3HB ALA 26 6.849 1.500 11.644 181 HB2 ALA 26 1HB ALA 26 6.856 -0.117 12.344 182 HB3 ALA 26 2HB ALA 26 5.711 0.284 11.064 183 H ALA 27 H ALA 27 8.752 2.233 9.752 184 HA ALA 27 HA ALA 27 6.967 3.052 7.738 185 HB1 ALA 27 3HB ALA 27 9.808 3.941 8.210 186 HB2 ALA 27 1HB ALA 27 8.371 4.612 8.980 187 HB3 ALA 27 2HB ALA 27 8.603 4.790 7.241 188 H GLU 28 H GLU 28 9.757 1.012 7.667 189 HA GLU 28 HA GLU 28 10.580 1.395 5.005 190 HB2 GLU 28 2HB GLU 28 11.745 0.251 7.030 191 HB3 GLU 28 1HB GLU 28 10.910 -1.194 6.496 192 HG2 GLU 28 2HG GLU 28 12.733 0.407 4.725 193 HG3 GLU 28 1HG GLU 28 13.280 -0.936 5.722 194 H ASP 29 H ASP 29 8.381 -1.003 6.463 195 HA ASP 29 HA ASP 29 7.871 -2.189 3.871 196 HB2 ASP 29 2HB ASP 29 6.953 -2.828 6.656 197 HB3 ASP 29 1HB ASP 29 6.152 -3.545 5.261 198 H VAL 30 H VAL 30 6.251 0.048 6.043 199 HA VAL 30 HA VAL 30 3.698 -0.060 4.865 200 HB VAL 30 HB VAL 30 5.065 2.251 6.256 201 HG11 VAL 30 1HG1 VAL 30 2.165 1.924 5.476 202 HG12 VAL 30 2HG1 VAL 30 3.295 3.114 4.831 203 HG13 VAL 30 3HG1 VAL 30 2.800 3.195 6.522 204 HG21 VAL 30 3HG2 VAL 30 4.730 0.276 7.655 205 HG22 VAL 30 1HG2 VAL 30 3.020 0.253 7.225 206 HG23 VAL 30 2HG2 VAL 30 3.675 1.596 8.160 207 H ARG 31 H ARG 31 6.455 2.096 4.154 208 HA ARG 31 HA ARG 31 5.165 3.384 1.981 209 HE ARG 31 HE ARG 31 10.311 0.923 2.311 210 HB2 ARG 31 2HB ARG 31 7.382 4.227 1.377 211 HB3 ARG 31 1HB ARG 31 7.085 4.399 3.098 212 HG2 ARG 31 2HG ARG 31 9.246 3.660 3.093 213 HG3 ARG 31 1HG ARG 31 8.376 2.134 3.257 214 HD2 ARG 31 2HD ARG 31 8.539 1.862 0.782 215 HD3 ARG 31 1HD ARG 31 9.558 3.301 0.740 216 HH11 ARG 31 1HH1 ARG 31 10.992 3.287 -0.180 217 HH12 ARG 31 2HH1 ARG 31 12.673 2.855 -0.320 218 HH21 ARG 31 2HH2 ARG 31 13.532 1.155 0.993 219 HH22 ARG 31 1HH2 ARG 31 12.496 0.310 2.113 220 H LYS 32 H LYS 32 6.861 0.410 2.332 221 HA LYS 32 HA LYS 32 7.697 -0.078 -0.292 222 HB2 LYS 32 2HB LYS 32 8.394 -1.333 1.740 223 HB3 LYS 32 1HB LYS 32 6.805 -2.076 1.795 224 HG2 LYS 32 2HG LYS 32 7.225 -3.174 -0.335 225 HG3 LYS 32 1HG LYS 32 8.809 -2.396 -0.433 226 HD2 LYS 32 2HD LYS 32 7.894 -4.336 1.695 227 HD3 LYS 32 1HD LYS 32 9.040 -4.674 0.396 228 HE2 LYS 32 2HE LYS 32 10.639 -3.162 1.300 229 HE3 LYS 32 1HE LYS 32 9.469 -2.514 2.446 230 HZ1 LYS 32 3HZ LYS 32 10.645 -5.244 2.474 231 HZ2 LYS 32 1HZ LYS 32 9.423 -4.706 3.530 232 HZ3 LYS 32 2HZ LYS 32 10.960 -3.984 3.571 233 H ILE 33 H ILE 33 4.711 -1.116 1.374 234 HA ILE 33 HA ILE 33 3.634 -2.302 -0.991 235 HB ILE 33 HB ILE 33 1.515 -2.473 0.281 236 HG12 ILE 33 2HG1 ILE 33 3.078 -1.131 2.501 237 HG13 ILE 33 1HG1 ILE 33 1.762 -0.387 1.600 238 HG21 ILE 33 1HG2 ILE 33 2.369 -4.024 1.978 239 HG22 ILE 33 2HG2 ILE 33 3.992 -3.372 1.742 240 HG23 ILE 33 3HG2 ILE 33 3.181 -4.221 0.426 241 HD11 ILE 33 3HD1 ILE 33 0.221 -2.074 2.466 242 HD12 ILE 33 1HD1 ILE 33 1.005 -1.171 3.762 243 HD13 ILE 33 2HD1 ILE 33 1.542 -2.806 3.376 244 H ALA 34 H ALA 34 3.369 0.839 0.525 245 HA ALA 34 HA ALA 34 1.169 1.800 -0.956 246 HB1 ALA 34 3HB ALA 34 3.441 3.340 0.295 247 HB2 ALA 34 1HB ALA 34 1.932 2.884 1.087 248 HB3 ALA 34 2HB ALA 34 1.912 4.027 -0.255 249 H THR 35 H THR 35 4.641 1.788 -1.580 250 HA THR 35 HA THR 35 4.613 3.503 -3.820 251 HB THR 35 HB THR 35 6.570 1.267 -3.232 252 HG1 THR 35 1HG THR 35 6.366 2.832 -1.522 253 HG21 THR 35 3HG2 THR 35 6.868 3.760 -4.917 254 HG22 THR 35 1HG2 THR 35 6.745 2.109 -5.524 255 HG23 THR 35 2HG2 THR 35 8.146 2.595 -4.569 256 H ALA 36 H ALA 36 4.116 0.029 -3.468 257 HA ALA 36 HA ALA 36 4.313 -0.687 -6.183 258 HB1 ALA 36 3HB ALA 36 3.144 -2.729 -5.548 259 HB2 ALA 36 1HB ALA 36 2.696 -2.001 -4.007 260 HB3 ALA 36 2HB ALA 36 4.393 -2.316 -4.372 261 H LEU 37 H LEU 37 1.469 0.137 -4.203 262 HA LEU 37 HA LEU 37 -0.331 -0.123 -6.397 263 HG LEU 37 HG LEU 37 0.318 1.610 -3.200 264 HB2 LEU 37 2HB LEU 37 -1.997 0.827 -4.897 265 HB3 LEU 37 1HB LEU 37 -1.098 -0.451 -4.117 266 HD11 LEU 37 1HD1 LEU 37 -1.119 3.506 -2.691 267 HD12 LEU 37 2HD1 LEU 37 -2.429 2.779 -3.620 268 HD13 LEU 37 3HD1 LEU 37 -0.952 3.295 -4.435 269 HD21 LEU 37 3HD2 LEU 37 -1.063 1.540 -1.187 270 HD22 LEU 37 1HD2 LEU 37 -0.803 -0.075 -1.846 271 HD23 LEU 37 2HD2 LEU 37 -2.347 0.740 -2.093 272 H LEU 38 H LEU 38 1.608 2.433 -5.088 273 HA LEU 38 HA LEU 38 0.243 4.621 -6.262 274 HG LEU 38 HG LEU 38 1.808 6.822 -6.228 275 HB2 LEU 38 2HB LEU 38 2.177 4.429 -4.424 276 HB3 LEU 38 1HB LEU 38 3.180 4.761 -5.822 277 HD11 LEU 38 1HD1 LEU 38 0.707 6.168 -3.499 278 HD12 LEU 38 2HD1 LEU 38 -0.192 6.129 -5.015 279 HD13 LEU 38 3HD1 LEU 38 0.432 7.660 -4.400 280 HD21 LEU 38 3HD2 LEU 38 3.966 6.978 -5.158 281 HD22 LEU 38 1HD2 LEU 38 3.254 6.582 -3.594 282 HD23 LEU 38 2HD2 LEU 38 2.844 8.101 -4.388 283 H LYS 39 H LYS 39 2.746 2.441 -7.393 284 HA LYS 39 HA LYS 39 3.396 3.924 -9.740 285 HB2 LYS 39 2HB LYS 39 3.881 1.071 -8.906 286 HB3 LYS 39 1HB LYS 39 4.408 1.707 -10.451 287 HG2 LYS 39 2HG LYS 39 5.760 3.394 -9.266 288 HG3 LYS 39 1HG LYS 39 5.281 2.656 -7.735 289 HD2 LYS 39 2HD LYS 39 7.486 1.863 -8.455 290 HD3 LYS 39 1HD LYS 39 6.311 0.545 -8.420 291 HE2 LYS 39 2HE LYS 39 5.993 0.777 -10.840 292 HE3 LYS 39 1HE LYS 39 7.184 2.075 -10.871 293 HZ1 LYS 39 3HZ LYS 39 8.130 -0.037 -11.560 294 HZ2 LYS 39 1HZ LYS 39 7.717 -0.741 -10.074 295 HZ3 LYS 39 2HZ LYS 39 8.866 0.503 -10.131 296 H THR 40 H THR 40 1.031 1.477 -8.940 297 HA THR 40 HA THR 40 0.554 0.919 -11.763 298 HB THR 40 HB THR 40 -0.778 -0.454 -9.433 299 HG1 THR 40 1HG THR 40 1.392 -0.766 -9.063 300 HG21 THR 40 3HG2 THR 40 -0.154 -1.337 -12.259 301 HG22 THR 40 1HG2 THR 40 -1.743 -0.870 -11.649 302 HG23 THR 40 2HG2 THR 40 -0.950 -2.317 -11.028 303 H ALA 41 H ALA 41 -1.138 2.196 -8.923 304 HA ALA 41 HA ALA 41 -3.649 2.395 -10.346 305 HB1 ALA 41 3HB ALA 41 -2.917 3.420 -7.605 306 HB2 ALA 41 1HB ALA 41 -3.619 1.840 -7.958 307 HB3 ALA 41 2HB ALA 41 -4.542 3.307 -8.281 308 H ILE 42 H ILE 42 -0.878 4.263 -10.146 309 HA ILE 42 HA ILE 42 -2.360 6.577 -11.196 310 HB ILE 42 HB ILE 42 0.174 6.774 -9.571 311 HG12 ILE 42 2HG1 ILE 42 -2.663 7.464 -8.772 312 HG13 ILE 42 1HG1 ILE 42 -1.733 6.104 -8.155 313 HG21 ILE 42 1HG2 ILE 42 -0.055 8.528 -11.226 314 HG22 ILE 42 2HG2 ILE 42 -0.293 9.188 -9.607 315 HG23 ILE 42 3HG2 ILE 42 -1.683 8.887 -10.652 316 HD11 ILE 42 3HD1 ILE 42 -0.160 7.615 -7.113 317 HD12 ILE 42 1HD1 ILE 42 -1.804 7.976 -6.589 318 HD13 ILE 42 2HD1 ILE 42 -1.016 9.001 -7.789 319 H GLU 43 H GLU 43 -1.999 5.796 -13.272 320 HA GLU 43 HA GLU 43 0.680 6.320 -14.283 321 HB2 GLU 43 2HB GLU 43 0.748 3.933 -14.065 322 HB3 GLU 43 1HB GLU 43 -0.852 3.765 -14.774 323 HG2 GLU 43 2HG GLU 43 -0.059 4.371 -16.927 324 HG3 GLU 43 1HG GLU 43 1.500 4.872 -16.279 325 H ILE 44 H ILE 44 0.762 7.023 -16.377 326 HA ILE 44 HA ILE 44 -1.667 8.126 -17.447 327 HB ILE 44 HB ILE 44 -0.146 8.997 -19.234 328 HG12 ILE 44 2HG1 ILE 44 2.028 7.793 -17.509 329 HG13 ILE 44 1HG1 ILE 44 1.569 7.222 -19.110 330 HG21 ILE 44 1HG2 ILE 44 -0.691 10.344 -17.297 331 HG22 ILE 44 2HG2 ILE 44 0.977 10.627 -17.793 332 HG23 ILE 44 3HG2 ILE 44 0.634 9.612 -16.392 333 HD11 ILE 44 3HD1 ILE 44 2.716 9.930 -18.479 334 HD12 ILE 44 1HD1 ILE 44 2.298 9.326 -20.081 335 HD13 ILE 44 2HD1 ILE 44 3.600 8.568 -19.164 336 H VAL 45 H VAL 45 -2.960 7.055 -18.796 337 HA VAL 45 HA VAL 45 -1.885 4.892 -20.428 338 HB VAL 45 HB VAL 45 -4.234 4.591 -21.225 339 HG11 VAL 45 1HG1 VAL 45 -5.101 3.692 -19.101 340 HG12 VAL 45 2HG1 VAL 45 -3.838 4.568 -18.237 341 HG13 VAL 45 3HG1 VAL 45 -3.404 3.282 -19.362 342 HG21 VAL 45 3HG2 VAL 45 -4.828 6.774 -19.228 343 HG22 VAL 45 1HG2 VAL 45 -6.045 5.728 -19.963 344 HG23 VAL 45 2HG2 VAL 45 -5.103 6.829 -20.967 345 H SER 46 H SER 46 -0.971 5.366 -22.291 346 HA SER 46 HA SER 46 -1.292 8.047 -23.335 347 HG SER 46 HG SER 46 1.901 6.288 -22.818 348 HB2 SER 46 2HB SER 46 0.528 5.898 -24.397 349 HB3 SER 46 1HB SER 46 0.696 7.644 -24.562 350 H GLU 47 H GLU 47 -2.492 8.561 -25.019 351 HA GLU 47 HA GLU 47 -3.515 6.599 -26.861 352 HB2 GLU 47 2HB GLU 47 -3.447 9.628 -27.046 353 HB3 GLU 47 1HB GLU 47 -4.358 8.562 -28.109 354 HG2 GLU 47 2HG GLU 47 -5.756 7.855 -26.284 355 HG3 GLU 47 1HG GLU 47 -4.789 8.781 -25.138 356 H GLU 48 H GLU 48 -2.750 6.330 -29.041 357 HA GLU 48 HA GLU 48 0.067 6.296 -29.140 358 HB2 GLU 48 2HB GLU 48 -1.452 4.712 -30.352 359 HB3 GLU 48 1HB GLU 48 -1.802 6.005 -31.492 360 HG2 GLU 48 2HG GLU 48 -0.092 4.406 -32.283 361 HG3 GLU 48 1HG GLU 48 0.470 6.075 -32.217 362 H ASP 49 H ASP 49 -2.318 8.406 -30.623 363 HA ASP 49 HA ASP 49 -0.210 10.424 -30.771 364 HB2 ASP 49 2HB ASP 49 -0.617 9.507 -33.066 365 HB3 ASP 49 1HB ASP 49 -2.264 10.122 -32.965 366 H GLY 50 H GLY 50 -0.810 11.708 -29.232 367 HA2 GLY 50 2HA GLY 50 -2.865 13.478 -29.214 368 HA3 GLY 50 1HA GLY 50 -3.568 12.042 -28.481 369 H GLY 51 H GLY 51 -3.364 11.834 -26.334 370 HA2 GLY 51 2HA GLY 51 -1.052 13.033 -25.014 371 HA3 GLY 51 1HA GLY 51 -2.642 13.631 -24.563 372 H ALA 52 H ALA 52 -0.418 11.971 -23.252 373 HA ALA 52 HA ALA 52 -1.689 9.542 -22.486 374 HB1 ALA 52 3HB ALA 52 0.040 9.396 -20.779 375 HB2 ALA 52 1HB ALA 52 0.493 11.074 -21.075 376 HB3 ALA 52 2HB ALA 52 0.740 9.861 -22.330 377 H HIS 53 H HIS 53 -3.203 9.185 -20.990 378 HA HIS 53 HA HIS 53 -4.117 11.496 -19.413 379 HD1 HIS 53 1HD HIS 53 -6.793 12.505 -20.542 380 HD2 HIS 53 2HD HIS 53 -5.449 9.376 -22.931 381 HE1 HIS 53 1HE HIS 53 -7.195 13.232 -22.909 382 HE2 HIS 53 2HE HIS 53 -6.215 11.401 -24.345 383 HB2 HIS 53 2HB HIS 53 -5.595 8.968 -20.184 384 HB3 HIS 53 1HB HIS 53 -6.272 10.302 -19.252 385 H ASN 54 H ASN 54 -3.612 11.483 -17.304 386 HA ASN 54 HA ASN 54 -2.861 8.949 -16.046 387 HB2 ASN 54 2HB ASN 54 -1.304 10.857 -15.848 388 HB3 ASN 54 1HB ASN 54 -2.559 11.790 -15.043 389 HD21 ASN 54 2HD2 ASN 54 -2.135 10.275 -11.928 390 HD22 ASN 54 1HD2 ASN 54 -3.119 11.289 -12.924 391 H GLN 55 H GLN 55 -4.324 7.897 -14.890 392 HA GLN 55 HA GLN 55 -6.564 9.424 -13.754 393 HB2 GLN 55 2HB GLN 55 -6.354 6.476 -14.395 394 HB3 GLN 55 1HB GLN 55 -7.705 7.204 -13.543 395 HG2 GLN 55 2HG GLN 55 -8.456 7.010 -15.721 396 HG3 GLN 55 1HG GLN 55 -7.962 8.696 -15.602 397 HE21 GLN 55 2HE2 GLN 55 -5.156 6.416 -17.442 398 HE22 GLN 55 1HE2 GLN 55 -5.735 6.025 -15.865 399 H CYS 56 H CYS 56 -6.887 9.494 -11.616 400 HA CYS 56 HA CYS 56 -5.264 7.789 -9.877 401 HG CYS 56 HG CYS 56 -4.683 9.388 -7.051 402 HB2 CYS 56 2HB CYS 56 -5.551 10.241 -9.335 403 HB3 CYS 56 1HB CYS 56 -7.265 9.927 -9.084 404 H LYS 57 H LYS 57 -6.104 5.796 -10.041 405 HA LYS 57 HA LYS 57 -8.616 5.202 -10.993 406 HB2 LYS 57 2HB LYS 57 -6.779 3.470 -9.349 407 HB3 LYS 57 1HB LYS 57 -8.169 2.880 -10.254 408 HG2 LYS 57 2HG LYS 57 -7.164 3.705 -12.329 409 HG3 LYS 57 1HG LYS 57 -5.762 4.270 -11.420 410 HD2 LYS 57 2HD LYS 57 -5.264 2.147 -12.457 411 HD3 LYS 57 1HD LYS 57 -5.335 1.947 -10.705 412 HE2 LYS 57 2HE LYS 57 -6.455 0.124 -11.912 413 HE3 LYS 57 1HE LYS 57 -7.557 1.017 -10.866 414 HZ1 LYS 57 3HZ LYS 57 -7.296 1.664 -13.744 415 HZ2 LYS 57 1HZ LYS 57 -8.566 2.042 -12.689 416 HZ3 LYS 57 2HZ LYS 57 -8.342 0.446 -13.206 417 H LEU 58 H LEU 58 -7.649 5.345 -7.574 418 HA LEU 58 HA LEU 58 -10.167 4.266 -6.713 419 HG LEU 58 HG LEU 58 -8.895 2.670 -5.513 420 HB2 LEU 58 2HB LEU 58 -7.856 5.469 -5.218 421 HB3 LEU 58 1HB LEU 58 -9.333 4.979 -4.413 422 HD11 LEU 58 1HD1 LEU 58 -7.110 3.352 -7.002 423 HD12 LEU 58 2HD1 LEU 58 -6.526 2.161 -5.838 424 HD13 LEU 58 3HD1 LEU 58 -6.134 3.868 -5.625 425 HD21 LEU 58 3HD2 LEU 58 -8.824 3.107 -3.124 426 HD22 LEU 58 1HD2 LEU 58 -7.168 3.694 -3.269 427 HD23 LEU 58 2HD2 LEU 58 -7.535 2.001 -3.602 428 H CYS 59 H CYS 59 -9.098 7.380 -7.575 429 HA CYS 59 HA CYS 59 -11.224 8.664 -6.024 430 HG CYS 59 HG CYS 59 -7.378 9.379 -5.848 431 HB2 CYS 59 2HB CYS 59 -9.059 9.885 -7.747 432 HB3 CYS 59 1HB CYS 59 -10.238 10.789 -6.803 433 H GLY 60 H GLY 60 -10.366 7.705 -9.248 434 HA2 GLY 60 2HA GLY 60 -11.734 7.526 -11.109 435 HA3 GLY 60 1HA GLY 60 -13.047 8.223 -10.170 436 H ALA 61 H ALA 61 -9.908 9.716 -10.562 437 HA ALA 61 HA ALA 61 -11.144 11.793 -12.247 438 HB1 ALA 61 3HB ALA 61 -10.766 12.630 -9.977 439 HB2 ALA 61 1HB ALA 61 -9.721 13.446 -11.141 440 HB3 ALA 61 2HB ALA 61 -9.063 12.189 -10.092 441 H SER 62 H SER 62 -9.900 12.609 -13.929 442 HA SER 62 HA SER 62 -7.332 11.268 -14.398 443 HG SER 62 HG SER 62 -10.665 10.976 -15.884 444 HB2 SER 62 2HB SER 62 -8.073 11.235 -16.874 445 HB3 SER 62 1HB SER 62 -8.756 10.023 -15.788 446 H VAL 63 H VAL 63 -5.775 12.454 -15.387 447 HA VAL 63 HA VAL 63 -6.400 15.170 -16.263 448 HB VAL 63 HB VAL 63 -5.935 15.395 -13.870 449 HG11 VAL 63 1HG1 VAL 63 -3.742 14.808 -12.934 450 HG12 VAL 63 2HG1 VAL 63 -3.288 14.083 -14.477 451 HG13 VAL 63 3HG1 VAL 63 -4.609 13.393 -13.535 452 HG21 VAL 63 3HG2 VAL 63 -5.203 17.201 -15.337 453 HG22 VAL 63 1HG2 VAL 63 -3.639 16.411 -15.547 454 HG23 VAL 63 2HG2 VAL 63 -4.113 17.024 -13.963 455 HA PRO 64 HA PRO 64 -3.395 14.254 -19.456 456 HB2 PRO 64 1HB PRO 64 -3.624 16.208 -20.563 457 HB3 PRO 64 2HB PRO 64 -2.385 16.893 -19.512 458 HG2 PRO 64 2HG PRO 64 -3.916 17.884 -18.133 459 HG3 PRO 64 1HG PRO 64 -4.948 17.792 -19.571 460 HD2 PRO 64 2HD PRO 64 -5.688 16.697 -17.236 461 HD3 PRO 64 1HD PRO 64 -6.083 15.925 -18.788 462 H TRP 65 H TRP 65 -1.286 13.754 -19.547 463 HA TRP 65 HA TRP 65 0.128 13.300 -17.203 464 HD1 TRP 65 HD TRP 65 3.754 13.388 -19.934 465 HE1 TRP 65 1HE TRP 65 4.016 14.755 -22.097 466 HE3 TRP 65 3HE TRP 65 -1.193 14.165 -21.006 467 HZ2 TRP 65 2HZ TRP 65 2.348 15.998 -23.999 468 HZ3 TRP 65 3HZ TRP 65 -1.770 15.460 -23.019 469 HH2 TRP 65 HH TRP 65 -0.035 16.357 -24.483 470 HB2 TRP 65 2HB TRP 65 1.840 12.431 -18.577 471 HB3 TRP 65 1HB TRP 65 0.356 12.173 -19.485 472 H LEU 66 H LEU 66 -0.025 16.166 -19.077 473 HA LEU 66 HA LEU 66 2.591 17.145 -18.681 474 HG LEU 66 HG LEU 66 1.663 19.896 -20.913 475 HB2 LEU 66 2HB LEU 66 0.566 17.857 -20.276 476 HB3 LEU 66 1HB LEU 66 0.329 19.045 -19.011 477 HD11 LEU 66 1HD1 LEU 66 1.946 20.903 -18.717 478 HD12 LEU 66 2HD1 LEU 66 3.462 20.898 -19.617 479 HD13 LEU 66 3HD1 LEU 66 3.197 19.722 -18.329 480 HD21 LEU 66 3HD2 LEU 66 3.965 19.106 -21.208 481 HD22 LEU 66 1HD2 LEU 66 2.780 17.845 -21.547 482 HD23 LEU 66 2HD2 LEU 66 3.669 17.833 -20.023 483 H GLN 67 H GLN 67 -0.408 17.520 -16.841 484 HA GLN 67 HA GLN 67 0.843 19.373 -15.005 485 HB2 GLN 67 2HB GLN 67 -1.910 18.188 -15.199 486 HB3 GLN 67 1HB GLN 67 -1.395 19.007 -13.734 487 HG2 GLN 67 2HG GLN 67 -2.622 20.540 -15.093 488 HG3 GLN 67 1HG GLN 67 -0.932 21.032 -15.070 489 HE21 GLN 67 2HE2 GLN 67 -2.756 19.930 -18.525 490 HE22 GLN 67 1HE2 GLN 67 -3.508 19.704 -16.982 491 H THR 68 H THR 68 -1.232 17.055 -13.568 492 HA THR 68 HA THR 68 0.460 14.989 -12.872 493 HB THR 68 HB THR 68 1.890 16.591 -11.719 494 HG1 THR 68 1HG THR 68 2.126 15.207 -10.129 495 HG21 THR 68 3HG2 THR 68 0.244 18.354 -11.284 496 HG22 THR 68 1HG2 THR 68 1.085 17.891 -9.803 497 HG23 THR 68 2HG2 THR 68 -0.557 17.321 -10.101 498 H GLY 69 H GLY 69 -0.544 13.505 -11.513 499 HA2 GLY 69 2HA GLY 69 -3.314 14.166 -10.776 500 HA3 GLY 69 1HA GLY 69 -2.666 12.541 -10.979 501 H ASP 70 H ASP 70 -0.448 14.423 -9.393 502 HA ASP 70 HA ASP 70 -1.018 13.064 -6.885 503 HB2 ASP 70 2HB ASP 70 1.277 13.101 -7.898 504 HB3 ASP 70 1HB ASP 70 1.329 14.835 -7.597 505 H GLU 71 H GLU 71 -0.531 16.357 -8.082 506 HA GLU 71 HA GLU 71 -1.205 17.472 -5.484 507 HB2 GLU 71 2HB GLU 71 0.708 18.292 -6.937 508 HB3 GLU 71 1HB GLU 71 -0.507 18.958 -8.017 509 HG2 GLU 71 2HG GLU 71 -1.324 20.399 -6.240 510 HG3 GLU 71 1HG GLU 71 -0.148 19.707 -5.123 511 H ILE 72 H ILE 72 -2.917 16.430 -8.101 512 HA ILE 72 HA ILE 72 -4.768 18.590 -8.432 513 HB ILE 72 HB ILE 72 -4.250 16.814 -10.171 514 HG12 ILE 72 2HG1 ILE 72 -7.167 17.262 -9.486 515 HG13 ILE 72 1HG1 ILE 72 -6.147 18.377 -10.386 516 HG21 ILE 72 1HG2 ILE 72 -6.077 15.171 -8.423 517 HG22 ILE 72 2HG2 ILE 72 -4.386 14.836 -8.796 518 HG23 ILE 72 3HG2 ILE 72 -5.607 14.745 -10.068 519 HD11 ILE 72 3HD1 ILE 72 -7.587 17.119 -11.872 520 HD12 ILE 72 1HD1 ILE 72 -6.931 15.605 -11.251 521 HD13 ILE 72 2HD1 ILE 72 -5.894 16.709 -12.155 522 H LYS 73 H LYS 73 -7.127 18.344 -7.984 523 HA LYS 73 HA LYS 73 -7.609 17.663 -5.269 524 HB2 LYS 73 2HB LYS 73 -8.854 19.409 -6.676 525 HB3 LYS 73 1HB LYS 73 -9.749 18.058 -7.362 526 HG2 LYS 73 2HG LYS 73 -10.455 17.438 -5.061 527 HG3 LYS 73 1HG LYS 73 -9.675 18.905 -4.475 528 HD2 LYS 73 2HD LYS 73 -11.963 19.441 -4.718 529 HD3 LYS 73 1HD LYS 73 -11.146 20.180 -6.096 530 HE2 LYS 73 2HE LYS 73 -11.836 18.335 -7.519 531 HE3 LYS 73 1HE LYS 73 -12.590 17.532 -6.144 532 HZ1 LYS 73 3HZ LYS 73 -13.425 20.070 -7.427 533 HZ2 LYS 73 1HZ LYS 73 -14.036 19.538 -5.935 534 HZ3 LYS 73 2HZ LYS 73 -14.292 18.620 -7.337 535 H HIS 74 H HIS 74 -8.665 15.894 -4.392 536 HA HIS 74 HA HIS 74 -9.286 13.669 -6.190 537 HD1 HIS 74 1HD HIS 74 -5.113 14.372 -4.449 538 HD2 HIS 74 2HD HIS 74 -8.291 13.275 -2.007 539 HE1 HIS 74 1HE HIS 74 -4.445 15.051 -2.114 540 HE2 HIS 74 2HE HIS 74 -6.500 14.597 -0.705 541 HB2 HIS 74 2HB HIS 74 -7.858 12.150 -4.793 542 HB3 HIS 74 1HB HIS 74 -6.944 13.323 -5.737 543 H ALA 75 H ALA 75 -9.781 11.676 -4.569 544 HA ALA 75 HA ALA 75 -11.799 12.645 -2.698 545 HB1 ALA 75 3HB ALA 75 -11.168 9.850 -3.652 546 HB2 ALA 75 1HB ALA 75 -12.469 10.882 -4.242 547 HB3 ALA 75 2HB ALA 75 -12.498 10.289 -2.580 548 H ASP 76 H ASP 76 -10.989 13.168 -0.763 549 HA ASP 76 HA ASP 76 -8.524 12.107 0.205 550 HB2 ASP 76 2HB ASP 76 -10.594 13.883 1.500 551 HB3 ASP 76 1HB ASP 76 -9.035 13.498 2.206 552 H ASP 77 H ASP 77 -11.609 10.945 0.228 553 HA ASP 77 HA ASP 77 -11.719 9.651 2.757 554 HB2 ASP 77 2HB ASP 77 -13.709 10.119 1.343 555 HB3 ASP 77 1HB ASP 77 -13.128 8.944 0.170 556 H CYS 78 H CYS 78 -10.237 8.895 -0.305 557 HA CYS 78 HA CYS 78 -10.171 6.064 0.093 558 HG CYS 78 HG CYS 78 -8.541 9.360 -1.945 559 HB2 CYS 78 2HB CYS 78 -8.857 5.958 -1.918 560 HB3 CYS 78 1HB CYS 78 -10.143 7.136 -2.158 561 HA PRO 79 HA PRO 79 -6.684 5.619 2.711 562 HB2 PRO 79 1HB PRO 79 -7.133 3.384 2.846 563 HB3 PRO 79 2HB PRO 79 -5.706 3.227 1.816 564 HG2 PRO 79 2HG PRO 79 -6.969 3.023 -0.121 565 HG3 PRO 79 1HG PRO 79 -8.060 2.248 1.043 566 HD2 PRO 79 2HD PRO 79 -8.861 4.302 -0.490 567 HD3 PRO 79 1HD PRO 79 -9.440 4.099 1.175 568 H VAL 80 H VAL 80 -6.326 5.914 -0.670 569 HA VAL 80 HA VAL 80 -3.530 5.628 -0.937 570 HB VAL 80 HB VAL 80 -5.379 7.412 -2.540 571 HG11 VAL 80 1HG1 VAL 80 -3.025 7.978 -2.844 572 HG12 VAL 80 2HG1 VAL 80 -3.690 7.241 -4.302 573 HG13 VAL 80 3HG1 VAL 80 -2.661 6.296 -3.225 574 HG21 VAL 80 3HG2 VAL 80 -6.142 5.100 -2.551 575 HG22 VAL 80 1HG2 VAL 80 -4.534 4.558 -3.027 576 HG23 VAL 80 2HG2 VAL 80 -5.493 5.548 -4.128 577 H VAL 81 H VAL 81 -5.611 8.341 -0.085 578 HA VAL 81 HA VAL 81 -3.524 10.276 0.028 579 HB VAL 81 HB VAL 81 -6.188 10.344 1.457 580 HG11 VAL 81 1HG1 VAL 81 -4.615 12.019 2.273 581 HG12 VAL 81 2HG1 VAL 81 -5.915 12.783 1.358 582 HG13 VAL 81 3HG1 VAL 81 -4.327 12.572 0.622 583 HG21 VAL 81 3HG2 VAL 81 -6.605 9.963 -0.870 584 HG22 VAL 81 1HG2 VAL 81 -5.443 11.209 -1.331 585 HG23 VAL 81 2HG2 VAL 81 -6.940 11.657 -0.522 586 H ILE 82 H ILE 82 -5.006 8.085 2.322 587 HA ILE 82 HA ILE 82 -3.791 8.954 4.687 588 HB ILE 82 HB ILE 82 -4.489 6.118 3.889 589 HG12 ILE 82 2HG1 ILE 82 -6.408 7.657 3.741 590 HG13 ILE 82 1HG1 ILE 82 -6.610 6.498 5.051 591 HG21 ILE 82 1HG2 ILE 82 -2.975 6.198 5.794 592 HG22 ILE 82 2HG2 ILE 82 -4.582 5.653 6.280 593 HG23 ILE 82 3HG2 ILE 82 -4.067 7.305 6.625 594 HD11 ILE 82 3HD1 ILE 82 -7.329 8.742 5.683 595 HD12 ILE 82 1HD1 ILE 82 -5.705 9.353 5.365 596 HD13 ILE 82 2HD1 ILE 82 -5.973 8.190 6.665 597 H ALA 83 H ALA 83 -2.778 6.401 2.423 598 HA ALA 83 HA ALA 83 -0.355 5.758 3.650 599 HB1 ALA 83 3HB ALA 83 -1.390 4.357 1.948 600 HB2 ALA 83 1HB ALA 83 0.270 4.755 1.510 601 HB3 ALA 83 2HB ALA 83 -1.072 5.590 0.727 602 H LYS 84 H LYS 84 -1.077 8.149 1.128 603 HA LYS 84 HA LYS 84 1.528 8.964 0.571 604 HB2 LYS 84 2HB LYS 84 -0.135 9.653 -0.919 605 HB3 LYS 84 1HB LYS 84 -1.173 10.248 0.366 606 HG2 LYS 84 2HG LYS 84 0.404 12.100 0.744 607 HG3 LYS 84 1HG LYS 84 1.374 11.516 -0.612 608 HD2 LYS 84 2HD LYS 84 -1.539 12.044 -0.982 609 HD3 LYS 84 1HD LYS 84 -0.400 13.382 -0.979 610 HE2 LYS 84 2HE LYS 84 -0.162 10.961 -2.750 611 HE3 LYS 84 1HE LYS 84 -0.922 12.475 -3.244 612 HZ1 LYS 84 3HZ LYS 84 1.909 12.163 -2.386 613 HZ2 LYS 84 1HZ LYS 84 1.174 13.613 -2.862 614 HZ3 LYS 84 2HZ LYS 84 1.373 12.364 -3.986 615 H GLN 85 H GLN 85 -0.793 10.188 2.963 616 HA GLN 85 HA GLN 85 0.825 12.272 3.951 617 HB2 GLN 85 2HB GLN 85 -1.579 12.144 4.397 618 HB3 GLN 85 1HB GLN 85 -1.341 10.680 5.339 619 HG2 GLN 85 2HG GLN 85 -0.015 11.950 6.961 620 HG3 GLN 85 1HG GLN 85 -0.285 13.415 6.020 621 HE21 GLN 85 2HE2 GLN 85 -3.956 12.920 6.797 622 HE22 GLN 85 1HE2 GLN 85 -3.034 12.647 5.362 623 H ILE 86 H ILE 86 0.467 8.894 4.891 624 HA ILE 86 HA ILE 86 2.045 8.998 7.219 625 HB ILE 86 HB ILE 86 1.409 6.660 5.416 626 HG12 ILE 86 2HG1 ILE 86 0.197 7.568 8.037 627 HG13 ILE 86 1HG1 ILE 86 -0.551 7.733 6.454 628 HG21 ILE 86 1HG2 ILE 86 2.042 5.238 7.310 629 HG22 ILE 86 2HG2 ILE 86 2.571 6.667 8.198 630 HG23 ILE 86 3HG2 ILE 86 3.406 6.189 6.720 631 HD11 ILE 86 3HD1 ILE 86 -1.495 5.866 7.669 632 HD12 ILE 86 1HD1 ILE 86 0.104 5.143 7.836 633 HD13 ILE 86 2HD1 ILE 86 -0.630 5.301 6.241 634 H LEU 87 H LEU 87 2.901 7.912 3.908 635 HA LEU 87 HA LEU 87 5.576 7.313 4.631 636 HG LEU 87 HG LEU 87 3.256 8.265 1.889 637 HB2 LEU 87 2HB LEU 87 6.007 7.113 2.218 638 HB3 LEU 87 1HB LEU 87 4.609 6.205 2.743 639 HD11 LEU 87 1HD1 LEU 87 4.301 9.396 -0.015 640 HD12 LEU 87 2HD1 LEU 87 5.827 8.585 0.344 641 HD13 LEU 87 3HD1 LEU 87 5.150 9.739 1.492 642 HD21 LEU 87 3HD2 LEU 87 3.127 7.250 -0.324 643 HD22 LEU 87 1HD2 LEU 87 3.166 6.019 0.936 644 HD23 LEU 87 2HD2 LEU 87 4.615 6.357 -0.012 645 H SER 88 H SER 88 4.025 10.268 3.824 646 HA SER 88 HA SER 88 6.426 11.656 3.075 647 HG SER 88 HG SER 88 3.622 11.533 1.915 648 HB2 SER 88 2HB SER 88 3.691 12.683 3.850 649 HB3 SER 88 1HB SER 88 4.992 13.667 3.194 650 H SER 89 H SER 89 4.540 11.144 5.996 651 HA SER 89 HA SER 89 4.905 11.608 8.190 652 HG SER 89 HG SER 89 6.264 9.767 7.164 653 HB2 SER 89 2HB SER 89 7.788 11.838 7.295 654 HB3 SER 89 1HB SER 89 7.238 11.630 8.958 655 H ARG 90 H ARG 90 4.125 13.780 6.564 656 HA ARG 90 HA ARG 90 5.247 16.006 8.095 657 HE ARG 90 HE ARG 90 4.322 18.380 4.223 658 HB2 ARG 90 2HB ARG 90 5.358 17.407 6.067 659 HB3 ARG 90 1HB ARG 90 6.461 16.039 5.985 660 HG2 ARG 90 2HG ARG 90 5.012 14.872 4.486 661 HG3 ARG 90 1HG ARG 90 3.744 16.083 4.689 662 HD2 ARG 90 2HD ARG 90 6.471 16.678 3.555 663 HD3 ARG 90 1HD ARG 90 5.066 16.276 2.570 664 HH11 ARG 90 1HH1 ARG 90 6.647 17.777 1.690 665 HH12 ARG 90 2HH1 ARG 90 6.627 19.406 1.084 666 HH21 ARG 90 2HH2 ARG 90 5.237 20.972 2.051 667 HH22 ARG 90 1HH2 ARG 90 4.280 20.538 3.435 668 HA PRO 91 HA PRO 91 0.973 17.303 8.163 669 HB2 PRO 91 1HB PRO 91 1.612 18.747 9.851 670 HB3 PRO 91 2HB PRO 91 1.247 19.947 8.605 671 HG2 PRO 91 2HG PRO 91 3.480 20.227 8.037 672 HG3 PRO 91 1HG PRO 91 3.643 19.876 9.769 673 HD2 PRO 91 2HD PRO 91 4.894 18.429 7.822 674 HD3 PRO 91 1HD PRO 91 4.426 17.753 9.393 675 H LYS 92 H LYS 92 -0.481 19.015 7.158 676 HA LYS 92 HA LYS 92 0.031 19.035 4.305 677 HB2 LYS 92 2HB LYS 92 -2.218 18.552 5.519 678 HB3 LYS 92 1HB LYS 92 -2.340 20.296 5.675 679 HG2 LYS 92 2HG LYS 92 -1.975 18.930 3.025 680 HG3 LYS 92 1HG LYS 92 -3.556 19.246 3.731 681 HD2 LYS 92 2HD LYS 92 -3.115 21.624 3.739 682 HD3 LYS 92 1HD LYS 92 -1.481 21.347 3.134 683 HE2 LYS 92 2HE LYS 92 -2.919 22.033 1.318 684 HE3 LYS 92 1HE LYS 92 -2.427 20.356 1.093 685 HZ1 LYS 92 3HZ LYS 92 -4.755 20.612 0.607 686 HZ2 LYS 92 1HZ LYS 92 -5.054 21.289 2.130 687 HZ3 LYS 92 2HZ LYS 92 -4.589 19.665 1.996 688 H LEU 93 H LEU 93 1.457 20.541 3.682 689 HA LEU 93 HA LEU 93 1.013 23.316 4.560 690 HG LEU 93 HG LEU 93 2.931 24.725 5.180 691 HB2 LEU 93 2HB LEU 93 3.047 22.161 5.551 692 HB3 LEU 93 1HB LEU 93 3.704 22.099 3.930 693 HD11 LEU 93 1HD1 LEU 93 4.434 23.676 6.759 694 HD12 LEU 93 2HD1 LEU 93 5.283 24.955 5.889 695 HD13 LEU 93 3HD1 LEU 93 5.556 23.266 5.461 696 HD21 LEU 93 3HD2 LEU 93 4.948 23.966 3.065 697 HD22 LEU 93 1HD2 LEU 93 4.623 25.600 3.645 698 HD23 LEU 93 2HD2 LEU 93 3.375 24.707 2.775 699 H HIS 94 H HIS 94 0.767 24.751 2.968 700 HA HIS 94 HA HIS 94 1.807 24.150 0.296 701 HD1 HIS 94 1HD HIS 94 -1.180 26.785 -0.954 702 HD2 HIS 94 2HD HIS 94 0.184 23.131 -2.390 703 HE1 HIS 94 1HE HIS 94 -1.215 26.988 -3.461 704 HE2 HIS 94 2HE HIS 94 -0.323 24.789 -4.311 705 HB2 HIS 94 2HB HIS 94 -0.530 23.339 0.321 706 HB3 HIS 94 1HB HIS 94 -1.072 24.931 0.839 707 H ALA 95 H ALA 95 2.629 25.923 -0.682 708 HA ALA 95 HA ALA 95 2.537 28.427 0.800 709 HB1 ALA 95 3HB ALA 95 4.122 27.681 -1.658 710 HB2 ALA 95 1HB ALA 95 4.698 27.585 0.008 711 HB3 ALA 95 2HB ALA 95 4.312 29.152 -0.704 712 H VAL 96 H VAL 96 1.456 30.202 0.188 713 HA VAL 96 HA VAL 96 0.100 30.133 -2.418 714 HB VAL 96 HB VAL 96 -1.640 31.649 -1.266 715 HG11 VAL 96 1HG1 VAL 96 -1.438 28.732 -0.516 716 HG12 VAL 96 2HG1 VAL 96 -2.101 29.375 -2.018 717 HG13 VAL 96 3HG1 VAL 96 -2.909 29.705 -0.486 718 HG21 VAL 96 3HG2 VAL 96 -0.412 32.070 0.797 719 HG22 VAL 96 1HG2 VAL 96 -0.406 30.345 1.165 720 HG23 VAL 96 2HG2 VAL 96 -1.928 31.236 1.141 721 HA MET 1 HA MET 1 -6.223 30.223 -23.087 722 H1 MET 1 1H MET 1 -5.206 28.063 -22.952 723 H2 MET 1 2H MET 1 -6.192 27.640 -21.639 724 H3 MET 1 3H MET 1 -5.045 28.880 -21.477 725 HB2 MET 1 2HB MET 1 -8.272 27.997 -22.982 726 HB3 MET 1 1HB MET 1 -8.498 29.546 -23.772 727 HG2 MET 1 2HG MET 1 -8.015 27.995 -25.467 728 HG3 MET 1 1HG MET 1 -6.555 28.956 -25.247 729 HE1 MET 1 3HE MET 1 -5.425 26.989 -26.757 730 HE2 MET 1 1HE MET 1 -6.912 26.034 -26.726 731 HE3 MET 1 2HE MET 1 -5.381 25.303 -26.245 732 H GLY 2 H GLY 2 -6.080 31.450 -21.148 733 HA2 GLY 2 2HA GLY 2 -7.307 32.843 -19.747 734 HA3 GLY 2 1HA GLY 2 -8.701 31.804 -19.981 735 H SER 3 H SER 3 -7.254 29.397 -19.172 736 HA SER 3 HA SER 3 -6.740 28.164 -17.342 737 HG SER 3 HG SER 3 -4.991 30.388 -17.783 738 HB2 SER 3 2HB SER 3 -6.339 30.766 -15.849 739 HB3 SER 3 1HB SER 3 -5.785 29.166 -15.353 740 H SER 4 H SER 4 -8.372 31.003 -15.914 741 HA SER 4 HA SER 4 -10.323 31.243 -14.791 742 HG SER 4 HG SER 4 -11.172 30.144 -17.961 743 HB2 SER 4 2HB SER 4 -11.119 28.784 -16.367 744 HB3 SER 4 1HB SER 4 -12.231 29.835 -15.491 745 H HIS 5 H HIS 5 -12.105 29.608 -13.589 746 HA HIS 5 HA HIS 5 -12.536 28.180 -11.876 747 HD1 HIS 5 1HD HIS 5 -10.272 25.466 -14.519 748 HD2 HIS 5 2HD HIS 5 -13.550 25.763 -11.969 749 HE1 HIS 5 1HE HIS 5 -11.999 23.881 -15.436 750 HE2 HIS 5 2HE HIS 5 -13.846 23.888 -13.726 751 HB2 HIS 5 2HB HIS 5 -9.871 27.056 -12.682 752 HB3 HIS 5 1HB HIS 5 -10.659 26.517 -11.205 753 H HIS 6 H HIS 6 -12.697 28.874 -9.895 754 HA HIS 6 HA HIS 6 -10.525 30.417 -8.703 755 HD1 HIS 6 1HD HIS 6 -14.814 31.455 -9.192 756 HD2 HIS 6 2HD HIS 6 -11.035 33.053 -8.510 757 HE1 HIS 6 1HE HIS 6 -14.831 33.723 -10.274 758 HE2 HIS 6 2HE HIS 6 -12.479 34.595 -9.993 759 HB2 HIS 6 2HB HIS 6 -13.389 29.931 -7.860 760 HB3 HIS 6 1HB HIS 6 -12.230 30.795 -6.856 761 H HIS 7 H HIS 7 -9.899 29.966 -6.434 762 HA HIS 7 HA HIS 7 -9.716 27.047 -6.079 763 HD1 HIS 7 1HD HIS 7 -6.352 28.314 -3.331 764 HD2 HIS 7 2HD HIS 7 -7.663 25.256 -5.833 765 HE1 HIS 7 1HE HIS 7 -5.356 26.198 -2.401 766 HE2 HIS 7 2HE HIS 7 -5.989 24.398 -4.050 767 HB2 HIS 7 2HB HIS 7 -7.588 28.212 -6.622 768 HB3 HIS 7 1HB HIS 7 -7.765 29.167 -5.155 769 H HIS 8 H HIS 8 -11.098 26.424 -4.571 770 HA HIS 8 HA HIS 8 -11.147 27.887 -2.006 771 HD1 HIS 8 1HD HIS 8 -14.776 25.348 -1.304 772 HD2 HIS 8 2HD HIS 8 -13.146 29.093 -0.522 773 HE1 HIS 8 1HE HIS 8 -15.744 26.063 0.909 774 HE2 HIS 8 2HE HIS 8 -14.900 28.421 1.256 775 HB2 HIS 8 2HB HIS 8 -13.320 27.868 -3.300 776 HB3 HIS 8 1HB HIS 8 -13.332 26.116 -3.139 777 H HIS 9 H HIS 9 -10.344 26.736 -0.292 778 HA HIS 9 HA HIS 9 -9.888 23.865 -0.793 779 HD1 HIS 9 1HD HIS 9 -7.972 27.752 -0.117 780 HD2 HIS 9 2HD HIS 9 -6.975 24.747 2.587 781 HE1 HIS 9 1HE HIS 9 -7.006 28.928 1.887 782 HE2 HIS 9 2HE HIS 9 -6.271 27.087 3.447 783 HB2 HIS 9 2HB HIS 9 -7.660 23.986 0.023 784 HB3 HIS 9 1HB HIS 9 -7.835 25.296 -1.135 785 H HIS 10 H HIS 10 -10.192 22.488 0.815 786 HA HIS 10 HA HIS 10 -10.597 23.528 3.540 787 HD1 HIS 10 1HD HIS 10 -14.350 21.614 4.345 788 HD2 HIS 10 2HD HIS 10 -12.653 24.850 2.361 789 HE1 HIS 10 1HE HIS 10 -15.981 23.507 4.618 790 HE2 HIS 10 2HE HIS 10 -14.808 25.509 3.636 791 HB2 HIS 10 2HB HIS 10 -12.166 21.526 1.976 792 HB3 HIS 10 1HB HIS 10 -11.939 21.222 3.693 793 H SER 11 H SER 11 -9.298 22.657 5.062 794 HA SER 11 HA SER 11 -8.062 20.067 4.554 795 HG SER 11 HG SER 11 -7.288 21.522 2.816 796 HB2 SER 11 2HB SER 11 -6.424 22.559 5.074 797 HB3 SER 11 1HB SER 11 -5.792 20.915 5.003 798 H SER 12 H SER 12 -8.858 19.059 6.280 799 HA SER 12 HA SER 12 -7.989 20.073 8.901 800 HG SER 12 HG SER 12 -9.897 21.324 8.313 801 HB2 SER 12 2HB SER 12 -10.628 18.683 8.355 802 HB3 SER 12 1HB SER 12 -10.062 19.282 9.915 803 H GLY 13 H GLY 13 -6.520 18.709 9.643 804 HA2 GLY 13 2HA GLY 13 -6.253 16.056 8.596 805 HA3 GLY 13 1HA GLY 13 -5.272 16.785 9.860 806 H ARG 14 H ARG 14 -5.956 14.178 10.057 807 HA ARG 14 HA ARG 14 -8.176 14.113 11.994 808 HE ARG 14 HE ARG 14 -5.045 9.552 9.733 809 HB2 ARG 14 2HB ARG 14 -8.360 11.748 11.563 810 HB3 ARG 14 1HB ARG 14 -8.341 12.584 10.015 811 HG2 ARG 14 2HG ARG 14 -6.031 11.988 9.671 812 HG3 ARG 14 1HG ARG 14 -5.946 11.259 11.275 813 HD2 ARG 14 2HD ARG 14 -7.780 9.694 10.525 814 HD3 ARG 14 1HD ARG 14 -7.535 10.321 8.895 815 HH11 ARG 14 1HH1 ARG 14 -8.136 7.956 9.279 816 HH12 ARG 14 2HH1 ARG 14 -7.414 6.382 9.066 817 HH21 ARG 14 2HH2 ARG 14 -5.171 6.122 9.145 818 HH22 ARG 14 1HH2 ARG 14 -4.122 7.492 9.406 819 H GLU 15 H GLU 15 -5.065 14.667 12.069 820 HA GLU 15 HA GLU 15 -3.264 14.245 13.371 821 HB2 GLU 15 2HB GLU 15 -5.375 13.349 15.344 822 HB3 GLU 15 1HB GLU 15 -3.689 13.655 15.737 823 HG2 GLU 15 2HG GLU 15 -3.949 15.985 15.079 824 HG3 GLU 15 1HG GLU 15 -5.637 15.683 14.676 825 H ASN 16 H ASN 16 -2.484 12.664 11.984 826 HA ASN 16 HA ASN 16 -3.420 9.957 12.131 827 HB2 ASN 16 2HB ASN 16 -2.668 11.060 10.013 828 HB3 ASN 16 1HB ASN 16 -1.023 11.036 10.636 829 HD21 ASN 16 2HD2 ASN 16 -0.468 7.667 9.938 830 HD22 ASN 16 1HD2 ASN 16 0.096 9.100 10.716 831 H LEU 17 H LEU 17 -2.281 8.158 12.788 832 HA LEU 17 HA LEU 17 -0.678 8.510 15.100 833 HG LEU 17 HG LEU 17 -3.394 7.072 14.300 834 HB2 LEU 17 2HB LEU 17 -1.297 5.982 13.570 835 HB3 LEU 17 1HB LEU 17 -0.691 6.081 15.213 836 HD11 LEU 17 1HD1 LEU 17 -4.283 5.173 15.534 837 HD12 LEU 17 2HD1 LEU 17 -2.644 4.631 15.898 838 HD13 LEU 17 3HD1 LEU 17 -3.219 4.638 14.231 839 HD21 LEU 17 3HD2 LEU 17 -2.193 6.849 17.059 840 HD22 LEU 17 1HD2 LEU 17 -3.848 7.333 16.686 841 HD23 LEU 17 2HD2 LEU 17 -2.498 8.347 16.179 842 H TYR 18 H TYR 18 1.394 8.789 15.148 843 HA TYR 18 HA TYR 18 3.060 8.373 12.831 844 HD1 TYR 18 1HD TYR 18 4.521 8.671 12.027 845 HD2 TYR 18 2HD TYR 18 5.692 11.226 15.221 846 HE1 TYR 18 1HE TYR 18 6.364 9.536 10.651 847 HE2 TYR 18 2HE TYR 18 7.538 12.095 13.853 848 HH TYR 18 HH TYR 18 8.862 11.525 11.970 849 HB2 TYR 18 2HB TYR 18 3.173 10.195 14.780 850 HB3 TYR 18 1HB TYR 18 4.244 8.998 15.496 851 H PHE 19 H PHE 19 5.277 7.249 13.254 852 HA PHE 19 HA PHE 19 4.551 4.511 13.605 853 HD1 PHE 19 2HD PHE 19 5.382 2.917 11.516 854 HD2 PHE 19 1HD PHE 19 6.455 6.994 10.944 855 HE1 PHE 19 2HE PHE 19 4.589 2.792 9.193 856 HE2 PHE 19 1HE PHE 19 5.658 6.880 8.619 857 HZ PHE 19 HZ PHE 19 4.726 4.778 7.741 858 HB2 PHE 19 2HB PHE 19 7.150 5.850 12.878 859 HB3 PHE 19 1HB PHE 19 6.982 4.103 13.017 860 H GLN 20 H GLN 20 5.290 6.660 15.932 861 HA GLN 20 HA GLN 20 6.894 4.774 17.484 862 HB2 GLN 20 2HB GLN 20 6.205 7.673 17.944 863 HB3 GLN 20 1HB GLN 20 6.989 6.678 19.163 864 HG2 GLN 20 2HG GLN 20 8.699 7.884 18.084 865 HG3 GLN 20 1HG GLN 20 8.802 6.233 17.478 866 HE21 GLN 20 2HE2 GLN 20 9.039 7.624 14.310 867 HE22 GLN 20 1HE2 GLN 20 9.801 6.736 15.580 868 H GLY 21 H GLY 21 5.646 3.248 18.321 869 HA2 GLY 21 2HA GLY 21 4.280 2.598 20.174 870 HA3 GLY 21 1HA GLY 21 3.389 4.105 20.007 871 H MET 22 H MET 22 2.163 4.355 17.945 872 HA MET 22 HA MET 22 0.446 3.726 16.624 873 HB2 MET 22 2HB MET 22 1.970 1.129 16.580 874 HB3 MET 22 1HB MET 22 0.473 1.365 15.695 875 HG2 MET 22 2HG MET 22 2.997 2.962 15.339 876 HG3 MET 22 1HG MET 22 2.416 1.682 14.272 877 HE1 MET 22 3HE MET 22 2.348 3.030 12.081 878 HE2 MET 22 1HE MET 22 3.147 4.348 12.934 879 HE3 MET 22 2HE MET 22 1.723 4.674 11.943 880 H THR 23 H THR 23 -1.455 3.749 17.569 881 HA THR 23 HA THR 23 -1.925 2.194 19.950 882 HB THR 23 HB THR 23 -4.168 3.450 19.827 883 HG1 THR 23 1HG THR 23 -3.931 5.431 18.571 884 HG21 THR 23 3HG2 THR 23 -3.137 5.463 20.803 885 HG22 THR 23 1HG2 THR 23 -1.567 4.939 20.191 886 HG23 THR 23 2HG2 THR 23 -2.398 3.985 21.418 887 H ASP 24 H ASP 24 -1.748 0.522 17.789 888 HA ASP 24 HA ASP 24 -2.682 -1.445 17.149 889 HB2 ASP 24 2HB ASP 24 -3.701 -1.581 19.349 890 HB3 ASP 24 1HB ASP 24 -5.038 -0.566 18.820 891 H THR 25 H THR 25 -5.222 1.080 17.014 892 HA THR 25 HA THR 25 -6.667 0.021 14.860 893 HB THR 25 HB THR 25 -6.324 2.966 15.460 894 HG1 THR 25 1HG THR 25 -7.657 0.899 16.833 895 HG21 THR 25 3HG2 THR 25 -8.625 1.386 14.297 896 HG22 THR 25 1HG2 THR 25 -7.554 2.464 13.404 897 HG23 THR 25 2HG2 THR 25 -8.634 3.118 14.636 898 H ALA 26 H ALA 26 -3.604 1.602 14.890 899 HA ALA 26 HA ALA 26 -3.469 2.633 12.295 900 HB1 ALA 26 3HB ALA 26 -1.783 3.066 14.022 901 HB2 ALA 26 1HB ALA 26 -1.059 2.457 12.531 902 HB3 ALA 26 2HB ALA 26 -1.259 1.384 13.914 903 H ALA 27 H ALA 27 -3.116 -0.653 13.498 904 HA ALA 27 HA ALA 27 -2.095 -1.816 11.133 905 HB1 ALA 27 3HB ALA 27 -3.812 -3.070 13.274 906 HB2 ALA 27 1HB ALA 27 -2.051 -2.957 13.298 907 HB3 ALA 27 2HB ALA 27 -2.855 -3.934 12.070 908 H GLU 28 H GLU 28 -5.311 -1.079 12.278 909 HA GLU 28 HA GLU 28 -6.756 -2.423 10.252 910 HB2 GLU 28 2HB GLU 28 -7.378 -0.318 12.281 911 HB3 GLU 28 1HB GLU 28 -8.549 -0.662 11.022 912 HG2 GLU 28 2HG GLU 28 -7.410 -2.679 12.938 913 HG3 GLU 28 1HG GLU 28 -8.991 -1.908 13.084 914 H ASP 29 H ASP 29 -5.246 0.721 10.443 915 HA ASP 29 HA ASP 29 -6.508 1.725 8.057 916 HB2 ASP 29 2HB ASP 29 -4.327 2.708 9.861 917 HB3 ASP 29 1HB ASP 29 -4.530 3.434 8.269 918 H VAL 30 H VAL 30 -3.317 0.394 8.867 919 HA VAL 30 HA VAL 30 -2.259 0.620 6.254 920 HB VAL 30 HB VAL 30 -1.474 -1.259 8.491 921 HG11 VAL 30 1HG1 VAL 30 0.655 -1.504 7.324 922 HG12 VAL 30 2HG1 VAL 30 0.054 -0.503 6.002 923 HG13 VAL 30 3HG1 VAL 30 -0.678 -2.074 6.321 924 HG21 VAL 30 3HG2 VAL 30 0.328 0.373 8.871 925 HG22 VAL 30 1HG2 VAL 30 -1.271 1.078 9.106 926 HG23 VAL 30 2HG2 VAL 30 -0.370 1.411 7.628 927 H ARG 31 H ARG 31 -4.203 -1.831 7.842 928 HA ARG 31 HA ARG 31 -3.989 -3.819 5.856 929 HE ARG 31 HE ARG 31 -7.117 -5.145 9.193 930 HB2 ARG 31 2HB ARG 31 -4.919 -4.338 8.025 931 HB3 ARG 31 1HB ARG 31 -6.220 -3.182 7.793 932 HG2 ARG 31 2HG ARG 31 -7.469 -4.639 6.661 933 HG3 ARG 31 1HG ARG 31 -6.101 -5.219 5.710 934 HD2 ARG 31 2HD ARG 31 -7.126 -6.959 7.153 935 HD3 ARG 31 1HD ARG 31 -5.416 -6.686 7.479 936 HH11 ARG 31 1HH1 ARG 31 -5.709 -8.311 8.705 937 HH12 ARG 31 2HH1 ARG 31 -5.791 -8.749 10.384 938 HH21 ARG 31 2HH2 ARG 31 -6.645 -7.248 11.924 939 HH22 ARG 31 1HH2 ARG 31 -7.209 -5.685 11.398 940 H LYS 32 H LYS 32 -5.889 -0.888 6.077 941 HA LYS 32 HA LYS 32 -7.679 -1.538 3.942 942 HB2 LYS 32 2HB LYS 32 -7.000 1.105 5.235 943 HB3 LYS 32 1HB LYS 32 -8.256 0.894 4.023 944 HG2 LYS 32 2HG LYS 32 -9.370 -0.722 5.530 945 HG3 LYS 32 1HG LYS 32 -8.158 -0.351 6.757 946 HD2 LYS 32 2HD LYS 32 -8.851 2.017 6.681 947 HD3 LYS 32 1HD LYS 32 -10.106 1.591 5.515 948 HE2 LYS 32 2HE LYS 32 -11.119 1.716 7.672 949 HE3 LYS 32 1HE LYS 32 -11.037 0.016 7.209 950 HZ1 LYS 32 3HZ LYS 32 -8.886 -0.013 8.543 951 HZ2 LYS 32 1HZ LYS 32 -10.342 0.070 9.414 952 HZ3 LYS 32 2HZ LYS 32 -9.399 1.466 9.199 953 H ILE 33 H ILE 33 -4.687 0.393 4.185 954 HA ILE 33 HA ILE 33 -4.776 1.329 1.513 955 HB ILE 33 HB ILE 33 -2.433 1.934 1.748 956 HG12 ILE 33 2HG1 ILE 33 -2.512 0.468 4.390 957 HG13 ILE 33 1HG1 ILE 33 -1.661 -0.073 2.948 958 HG21 ILE 33 1HG2 ILE 33 -4.029 2.494 4.238 959 HG22 ILE 33 2HG2 ILE 33 -4.113 3.387 2.718 960 HG23 ILE 33 3HG2 ILE 33 -2.635 3.418 3.680 961 HD11 ILE 33 3HD1 ILE 33 -0.195 1.840 3.051 962 HD12 ILE 33 1HD1 ILE 33 -0.166 0.961 4.579 963 HD13 ILE 33 2HD1 ILE 33 -1.075 2.467 4.445 964 H ALA 34 H ALA 34 -3.489 -1.571 2.985 965 HA ALA 34 HA ALA 34 -2.195 -2.583 0.671 966 HB1 ALA 34 3HB ALA 34 -2.227 -4.737 1.833 967 HB2 ALA 34 1HB ALA 34 -3.337 -4.079 3.033 968 HB3 ALA 34 2HB ALA 34 -1.698 -3.440 2.904 969 H THR 35 H THR 35 -5.463 -2.859 1.961 970 HA THR 35 HA THR 35 -6.426 -4.754 0.087 971 HB THR 35 HB THR 35 -7.998 -2.675 1.629 972 HG1 THR 35 1HG THR 35 -6.733 -4.096 2.970 973 HG21 THR 35 3HG2 THR 35 -9.281 -3.697 -0.208 974 HG22 THR 35 1HG2 THR 35 -9.884 -4.220 1.364 975 HG23 THR 35 2HG2 THR 35 -8.874 -5.301 0.404 976 H ALA 36 H ALA 36 -5.981 -1.314 0.004 977 HA ALA 36 HA ALA 36 -7.808 -0.511 -1.913 978 HB1 ALA 36 3HB ALA 36 -6.363 1.395 -2.297 979 HB2 ALA 36 1HB ALA 36 -5.020 0.557 -1.521 980 HB3 ALA 36 2HB ALA 36 -6.436 1.016 -0.576 981 H LEU 37 H LEU 37 -4.633 -2.028 -2.407 982 HA LEU 37 HA LEU 37 -4.635 -1.515 -5.215 983 HG LEU 37 HG LEU 37 -3.482 -3.965 -2.695 984 HB2 LEU 37 2HB LEU 37 -2.645 -2.849 -5.309 985 HB3 LEU 37 1HB LEU 37 -2.558 -1.771 -3.939 986 HD11 LEU 37 1HD1 LEU 37 -2.327 -5.936 -3.578 987 HD12 LEU 37 2HD1 LEU 37 -1.817 -5.004 -4.986 988 HD13 LEU 37 3HD1 LEU 37 -3.529 -5.326 -4.716 989 HD21 LEU 37 3HD2 LEU 37 -1.175 -4.392 -2.037 990 HD22 LEU 37 1HD2 LEU 37 -1.508 -2.661 -2.093 991 HD23 LEU 37 2HD2 LEU 37 -0.600 -3.426 -3.396 992 H LEU 38 H LEU 38 -5.924 -4.020 -3.189 993 HA LEU 38 HA LEU 38 -6.374 -5.877 -5.339 994 HG LEU 38 HG LEU 38 -6.442 -8.026 -2.368 995 HB2 LEU 38 2HB LEU 38 -7.457 -5.703 -2.535 996 HB3 LEU 38 1HB LEU 38 -8.014 -6.909 -3.674 997 HD11 LEU 38 1HD1 LEU 38 -4.586 -8.542 -3.848 998 HD12 LEU 38 2HD1 LEU 38 -4.919 -7.089 -4.791 999 HD13 LEU 38 3HD1 LEU 38 -6.093 -8.404 -4.753 1000 HD21 LEU 38 3HD2 LEU 38 -5.492 -6.107 -1.224 1001 HD22 LEU 38 1HD2 LEU 38 -4.587 -5.673 -2.676 1002 HD23 LEU 38 2HD2 LEU 38 -4.223 -7.173 -1.824 1003 H LYS 39 H LYS 39 -8.005 -3.155 -3.961 1004 HA LYS 39 HA LYS 39 -10.600 -3.657 -4.964 1005 HB2 LYS 39 2HB LYS 39 -9.180 -1.178 -4.015 1006 HB3 LYS 39 1HB LYS 39 -10.818 -1.117 -4.642 1007 HG2 LYS 39 2HG LYS 39 -9.945 -2.821 -2.321 1008 HG3 LYS 39 1HG LYS 39 -10.713 -1.237 -2.175 1009 HD2 LYS 39 2HD LYS 39 -11.925 -3.641 -3.549 1010 HD3 LYS 39 1HD LYS 39 -12.315 -3.102 -1.913 1011 HE2 LYS 39 2HE LYS 39 -13.231 -1.053 -2.723 1012 HE3 LYS 39 1HE LYS 39 -12.620 -1.357 -4.349 1013 HZ1 LYS 39 3HZ LYS 39 -14.978 -1.806 -4.201 1014 HZ2 LYS 39 1HZ LYS 39 -14.725 -2.937 -2.961 1015 HZ3 LYS 39 2HZ LYS 39 -14.129 -3.237 -4.523 1016 H THR 40 H THR 40 -8.036 -1.460 -6.123 1017 HA THR 40 HA THR 40 -8.347 -2.154 -8.801 1018 HB THR 40 HB THR 40 -10.489 -1.101 -8.755 1019 HG1 THR 40 1HG THR 40 -9.423 -0.770 -10.667 1020 HG21 THR 40 3HG2 THR 40 -10.257 0.400 -6.864 1021 HG22 THR 40 1HG2 THR 40 -10.788 1.303 -8.282 1022 HG23 THR 40 2HG2 THR 40 -9.105 1.389 -7.762 1023 H ALA 41 H ALA 41 -6.153 -2.203 -8.391 1024 HA ALA 41 HA ALA 41 -4.847 0.431 -8.541 1025 HB1 ALA 41 3HB ALA 41 -4.115 -0.835 -6.599 1026 HB2 ALA 41 1HB ALA 41 -2.796 -0.679 -7.758 1027 HB3 ALA 41 2HB ALA 41 -3.681 -2.199 -7.628 1028 H ILE 42 H ILE 42 -5.039 -2.794 -9.918 1029 HA ILE 42 HA ILE 42 -3.011 -2.390 -11.881 1030 HB ILE 42 HB ILE 42 -5.282 -4.384 -12.016 1031 HG12 ILE 42 2HG1 ILE 42 -2.575 -4.720 -10.705 1032 HG13 ILE 42 1HG1 ILE 42 -4.090 -4.498 -9.835 1033 HG21 ILE 42 1HG2 ILE 42 -2.501 -4.389 -13.193 1034 HG22 ILE 42 2HG2 ILE 42 -4.005 -4.131 -14.074 1035 HG23 ILE 42 3HG2 ILE 42 -3.678 -5.697 -13.333 1036 HD11 ILE 42 3HD1 ILE 42 -3.368 -6.814 -11.615 1037 HD12 ILE 42 1HD1 ILE 42 -4.927 -6.584 -10.825 1038 HD13 ILE 42 2HD1 ILE 42 -3.476 -6.826 -9.854 1039 H GLU 43 H GLU 43 -3.193 -1.662 -13.973 1040 HA GLU 43 HA GLU 43 -5.842 -0.620 -14.731 1041 HB2 GLU 43 2HB GLU 43 -4.114 1.117 -14.137 1042 HB3 GLU 43 1HB GLU 43 -3.177 0.567 -15.516 1043 HG2 GLU 43 2HG GLU 43 -4.469 2.568 -16.041 1044 HG3 GLU 43 1HG GLU 43 -4.978 1.192 -17.024 1045 H ILE 44 H ILE 44 -6.436 -0.733 -16.893 1046 HA ILE 44 HA ILE 44 -4.937 -2.720 -18.445 1047 HB ILE 44 HB ILE 44 -7.131 -2.895 -19.730 1048 HG12 ILE 44 2HG1 ILE 44 -8.199 -1.557 -17.243 1049 HG13 ILE 44 1HG1 ILE 44 -8.158 -0.833 -18.843 1050 HG21 ILE 44 1HG2 ILE 44 -8.071 -4.484 -18.143 1051 HG22 ILE 44 2HG2 ILE 44 -7.071 -3.798 -16.862 1052 HG23 ILE 44 3HG2 ILE 44 -6.316 -4.624 -18.227 1053 HD11 ILE 44 3HD1 ILE 44 -9.719 -3.283 -18.068 1054 HD12 ILE 44 1HD1 ILE 44 -9.687 -2.536 -19.666 1055 HD13 ILE 44 2HD1 ILE 44 -10.373 -1.661 -18.296 1056 H VAL 45 H VAL 45 -3.821 -1.966 -20.137 1057 HA VAL 45 HA VAL 45 -4.572 0.571 -21.342 1058 HB VAL 45 HB VAL 45 -2.588 0.178 -22.846 1059 HG11 VAL 45 1HG1 VAL 45 -0.943 0.690 -21.100 1060 HG12 VAL 45 2HG1 VAL 45 -2.097 0.173 -19.871 1061 HG13 VAL 45 3HG1 VAL 45 -2.446 1.583 -20.871 1062 HG21 VAL 45 3HG2 VAL 45 -2.435 -2.241 -22.710 1063 HG22 VAL 45 1HG2 VAL 45 -2.110 -2.150 -20.979 1064 HG23 VAL 45 2HG2 VAL 45 -0.940 -1.508 -22.132 1065 H SER 46 H SER 46 -6.013 0.661 -22.879 1066 HA SER 46 HA SER 46 -6.906 -1.820 -24.092 1067 HG SER 46 HG SER 46 -8.399 1.775 -24.467 1068 HB2 SER 46 2HB SER 46 -8.795 -0.248 -24.871 1069 HB3 SER 46 1HB SER 46 -8.674 -0.602 -23.148 1070 H GLU 47 H GLU 47 -7.420 -1.968 -26.344 1071 HA GLU 47 HA GLU 47 -5.525 -0.763 -28.106 1072 HB2 GLU 47 2HB GLU 47 -7.930 -2.482 -28.565 1073 HB3 GLU 47 1HB GLU 47 -7.075 -1.752 -29.911 1074 HG2 GLU 47 2HG GLU 47 -4.994 -2.857 -29.059 1075 HG3 GLU 47 1HG GLU 47 -6.017 -3.734 -27.922 1076 H GLU 48 H GLU 48 -6.345 0.302 -30.187 1077 HA GLU 48 HA GLU 48 -7.549 2.761 -29.481 1078 HB2 GLU 48 2HB GLU 48 -6.966 1.538 -32.179 1079 HB3 GLU 48 1HB GLU 48 -7.475 3.205 -31.934 1080 HG2 GLU 48 2HG GLU 48 -5.480 3.777 -30.854 1081 HG3 GLU 48 1HG GLU 48 -5.047 2.089 -30.580 1082 H ASP 49 H ASP 49 -8.758 -0.112 -31.120 1083 HA ASP 49 HA ASP 49 -11.412 1.051 -31.379 1084 HB2 ASP 49 2HB ASP 49 -10.544 -0.446 -33.148 1085 HB3 ASP 49 1HB ASP 49 -10.451 -1.756 -31.978 1086 H GLY 50 H GLY 50 -9.895 -1.681 -29.700 1087 HA2 GLY 50 2HA GLY 50 -11.737 -1.288 -27.475 1088 HA3 GLY 50 1HA GLY 50 -11.796 -2.850 -28.282 1089 H GLY 51 H GLY 51 -9.817 -4.119 -28.328 1090 HA2 GLY 51 2HA GLY 51 -8.194 -5.237 -27.248 1091 HA3 GLY 51 1HA GLY 51 -7.499 -3.648 -26.999 1092 H ALA 52 H ALA 52 -6.792 -5.163 -25.250 1093 HA ALA 52 HA ALA 52 -7.383 -3.876 -22.910 1094 HB1 ALA 52 3HB ALA 52 -9.556 -5.041 -22.932 1095 HB2 ALA 52 1HB ALA 52 -8.573 -5.509 -21.544 1096 HB3 ALA 52 2HB ALA 52 -8.714 -6.591 -22.928 1097 H HIS 53 H HIS 53 -5.211 -3.924 -22.515 1098 HA HIS 53 HA HIS 53 -4.020 -6.581 -22.014 1099 HD1 HIS 53 1HD HIS 53 -0.892 -7.043 -23.504 1100 HD2 HIS 53 2HD HIS 53 -4.038 -5.076 -25.387 1101 HE1 HIS 53 1HE HIS 53 -1.080 -8.073 -25.779 1102 HE2 HIS 53 2HE HIS 53 -2.784 -6.665 -26.996 1103 HB2 HIS 53 2HB HIS 53 -2.799 -4.005 -22.940 1104 HB3 HIS 53 1HB HIS 53 -1.816 -5.206 -22.112 1105 H ASN 54 H ASN 54 -4.054 -7.057 -19.936 1106 HA ASN 54 HA ASN 54 -4.070 -4.903 -17.942 1107 HB2 ASN 54 2HB ASN 54 -5.908 -6.552 -17.854 1108 HB3 ASN 54 1HB ASN 54 -4.734 -7.851 -17.677 1109 HD21 ASN 54 2HD2 ASN 54 -4.198 -7.329 -14.261 1110 HD22 ASN 54 1HD2 ASN 54 -3.614 -8.067 -15.712 1111 H GLN 55 H GLN 55 -2.056 -4.397 -17.270 1112 HA GLN 55 HA GLN 55 -0.170 -6.623 -16.796 1113 HB2 GLN 55 2HB GLN 55 0.476 -3.918 -18.005 1114 HB3 GLN 55 1HB GLN 55 1.658 -5.148 -17.579 1115 HG2 GLN 55 2HG GLN 55 0.678 -6.664 -19.215 1116 HG3 GLN 55 1HG GLN 55 -0.517 -5.439 -19.638 1117 HE21 GLN 55 2HE2 GLN 55 1.643 -3.561 -21.651 1118 HE22 GLN 55 1HE2 GLN 55 0.136 -3.617 -20.795 1119 H CYS 56 H CYS 56 1.235 -6.326 -15.010 1120 HA CYS 56 HA CYS 56 0.328 -4.217 -13.161 1121 HG CYS 56 HG CYS 56 -1.195 -6.625 -13.313 1122 HB2 CYS 56 2HB CYS 56 1.853 -6.761 -12.571 1123 HB3 CYS 56 1HB CYS 56 1.285 -5.602 -11.371 1124 H LYS 57 H LYS 57 1.685 -2.741 -12.292 1125 HA LYS 57 HA LYS 57 4.094 -2.221 -13.784 1126 HB2 LYS 57 2HB LYS 57 2.714 -0.715 -11.562 1127 HB3 LYS 57 1HB LYS 57 4.164 -0.146 -12.372 1128 HG2 LYS 57 2HG LYS 57 1.515 -0.670 -13.703 1129 HG3 LYS 57 1HG LYS 57 2.141 0.914 -13.242 1130 HD2 LYS 57 2HD LYS 57 3.016 1.001 -15.294 1131 HD3 LYS 57 1HD LYS 57 4.197 -0.173 -14.714 1132 HE2 LYS 57 2HE LYS 57 3.259 -0.974 -16.770 1133 HE3 LYS 57 1HE LYS 57 2.678 -1.988 -15.450 1134 HZ1 LYS 57 3HZ LYS 57 0.572 -0.973 -15.526 1135 HZ2 LYS 57 1HZ LYS 57 0.984 -1.270 -17.142 1136 HZ3 LYS 57 2HZ LYS 57 1.112 0.300 -16.505 1137 H LEU 58 H LEU 58 4.044 -4.490 -11.743 1138 HA LEU 58 HA LEU 58 6.147 -3.491 -9.961 1139 HG LEU 58 HG LEU 58 4.585 -3.413 -8.098 1140 HB2 LEU 58 2HB LEU 58 4.394 -5.930 -9.729 1141 HB3 LEU 58 1HB LEU 58 5.765 -5.629 -8.682 1142 HD11 LEU 58 1HD1 LEU 58 2.268 -4.952 -9.258 1143 HD12 LEU 58 2HD1 LEU 58 2.921 -3.428 -9.860 1144 HD13 LEU 58 3HD1 LEU 58 2.139 -3.489 -8.281 1145 HD21 LEU 58 3HD2 LEU 58 4.853 -5.269 -6.556 1146 HD22 LEU 58 1HD2 LEU 58 3.432 -6.058 -7.235 1147 HD23 LEU 58 2HD2 LEU 58 3.262 -4.531 -6.371 1148 H CYS 59 H CYS 59 5.700 -6.864 -10.755 1149 HA CYS 59 HA CYS 59 8.510 -7.016 -11.484 1150 HG CYS 59 HG CYS 59 5.574 -10.246 -11.774 1151 HB2 CYS 59 2HB CYS 59 8.060 -9.501 -11.353 1152 HB3 CYS 59 1HB CYS 59 7.812 -8.610 -9.854 1153 H GLY 60 H GLY 60 5.880 -6.310 -13.179 1154 HA2 GLY 60 2HA GLY 60 5.631 -6.295 -15.499 1155 HA3 GLY 60 1HA GLY 60 6.920 -7.485 -15.619 1156 H ALA 61 H ALA 61 3.994 -7.663 -13.651 1157 HA ALA 61 HA ALA 61 3.371 -10.291 -14.473 1158 HB1 ALA 61 3HB ALA 61 1.571 -8.247 -13.172 1159 HB2 ALA 61 1HB ALA 61 2.606 -9.402 -12.331 1160 HB3 ALA 61 2HB ALA 61 1.249 -9.977 -13.298 1161 H SER 62 H SER 62 1.640 -11.022 -15.799 1162 HA SER 62 HA SER 62 1.500 -9.262 -18.118 1163 HG SER 62 HG SER 62 1.872 -11.986 -20.274 1164 HB2 SER 62 2HB SER 62 2.704 -11.469 -18.276 1165 HB3 SER 62 1HB SER 62 1.158 -12.273 -18.021 1166 H VAL 63 H VAL 63 -0.376 -10.498 -19.590 1167 HA VAL 63 HA VAL 63 -2.784 -9.387 -18.400 1168 HB VAL 63 HB VAL 63 -2.186 -10.242 -21.238 1169 HG11 VAL 63 1HG1 VAL 63 -4.117 -8.712 -21.767 1170 HG12 VAL 63 2HG1 VAL 63 -4.503 -8.755 -20.046 1171 HG13 VAL 63 3HG1 VAL 63 -4.520 -10.242 -20.990 1172 HG21 VAL 63 3HG2 VAL 63 -0.714 -8.449 -20.554 1173 HG22 VAL 63 1HG2 VAL 63 -2.094 -7.501 -20.001 1174 HG23 VAL 63 2HG2 VAL 63 -1.905 -7.864 -21.717 1175 HA PRO 64 HA PRO 64 -4.499 -13.561 -18.231 1176 HB2 PRO 64 1HB PRO 64 -4.780 -13.071 -15.980 1177 HB3 PRO 64 2HB PRO 64 -6.465 -13.030 -16.509 1178 HG2 PRO 64 2HG PRO 64 -6.545 -10.730 -16.506 1179 HG3 PRO 64 1HG PRO 64 -5.293 -10.940 -15.268 1180 HD2 PRO 64 2HD PRO 64 -5.002 -9.586 -17.713 1181 HD3 PRO 64 1HD PRO 64 -3.689 -10.102 -16.638 1182 H TRP 65 H TRP 65 -5.511 -10.910 -19.857 1183 HA TRP 65 HA TRP 65 -8.294 -11.515 -20.231 1184 HD1 TRP 65 HD TRP 65 -8.692 -9.364 -23.769 1185 HE1 TRP 65 1HE TRP 65 -11.088 -8.442 -23.571 1186 HE3 TRP 65 3HE TRP 65 -9.068 -9.188 -18.669 1187 HZ2 TRP 65 2HZ TRP 65 -12.889 -7.730 -21.520 1188 HZ3 TRP 65 3HZ TRP 65 -11.162 -8.372 -17.672 1189 HH2 TRP 65 HH TRP 65 -13.034 -7.657 -19.070 1190 HB2 TRP 65 2HB TRP 65 -6.995 -9.233 -20.446 1191 HB3 TRP 65 1HB TRP 65 -6.744 -9.759 -22.105 1192 H LEU 66 H LEU 66 -8.729 -11.270 -22.919 1193 HA LEU 66 HA LEU 66 -8.267 -13.975 -23.724 1194 HG LEU 66 HG LEU 66 -10.774 -12.101 -23.138 1195 HB2 LEU 66 2HB LEU 66 -9.568 -11.728 -25.254 1196 HB3 LEU 66 1HB LEU 66 -9.690 -13.437 -25.620 1197 HD11 LEU 66 1HD1 LEU 66 -12.966 -12.555 -24.123 1198 HD12 LEU 66 2HD1 LEU 66 -12.183 -13.170 -25.579 1199 HD13 LEU 66 3HD1 LEU 66 -12.011 -11.472 -25.136 1200 HD21 LEU 66 3HD2 LEU 66 -11.849 -14.250 -22.706 1201 HD22 LEU 66 1HD2 LEU 66 -10.094 -14.413 -22.737 1202 HD23 LEU 66 2HD2 LEU 66 -11.052 -14.939 -24.121 1203 H GLN 67 H GLN 67 -6.476 -11.168 -24.151 1204 HA GLN 67 HA GLN 67 -5.447 -11.712 -26.770 1205 HB2 GLN 67 2HB GLN 67 -4.426 -9.929 -24.548 1206 HB3 GLN 67 1HB GLN 67 -3.747 -9.985 -26.169 1207 HG2 GLN 67 2HG GLN 67 -6.553 -9.158 -25.455 1208 HG3 GLN 67 1HG GLN 67 -5.230 -8.078 -25.886 1209 HE21 GLN 67 2HE2 GLN 67 -5.343 -9.738 -29.289 1210 HE22 GLN 67 1HE2 GLN 67 -4.228 -9.887 -27.974 1211 H THR 68 H THR 68 -2.723 -11.515 -26.553 1212 HA THR 68 HA THR 68 -1.973 -14.134 -25.726 1213 HB THR 68 HB THR 68 -0.180 -11.822 -26.454 1214 HG1 THR 68 1HG THR 68 -0.663 -13.864 -28.282 1215 HG21 THR 68 3HG2 THR 68 1.461 -13.550 -27.002 1216 HG22 THR 68 1HG2 THR 68 0.327 -14.797 -26.483 1217 HG23 THR 68 2HG2 THR 68 0.982 -13.656 -25.308 1218 H GLY 69 H GLY 69 -2.350 -14.356 -23.584 1219 HA2 GLY 69 2HA GLY 69 -0.339 -13.178 -21.833 1220 HA3 GLY 69 1HA GLY 69 -2.025 -12.931 -21.396 1221 H ASP 70 H ASP 70 0.619 -14.922 -21.036 1222 HA ASP 70 HA ASP 70 -1.015 -17.010 -19.823 1223 HB2 ASP 70 2HB ASP 70 -0.730 -17.787 -22.128 1224 HB3 ASP 70 1HB ASP 70 1.013 -17.594 -21.994 1225 H GLU 71 H GLU 71 2.166 -15.703 -20.516 1226 HA GLU 71 HA GLU 71 3.387 -17.176 -18.358 1227 HB2 GLU 71 2HB GLU 71 5.290 -15.385 -19.125 1228 HB3 GLU 71 1HB GLU 71 5.064 -16.972 -19.842 1229 HG2 GLU 71 2HG GLU 71 5.286 -15.427 -21.613 1230 HG3 GLU 71 1HG GLU 71 3.593 -15.900 -21.554 1231 H ILE 72 H ILE 72 2.008 -16.349 -16.707 1232 HA ILE 72 HA ILE 72 2.033 -13.575 -16.021 1233 HB ILE 72 HB ILE 72 1.244 -15.923 -14.288 1234 HG12 ILE 72 2HG1 ILE 72 -0.046 -15.891 -16.376 1235 HG13 ILE 72 1HG1 ILE 72 -1.059 -15.452 -15.007 1236 HG21 ILE 72 1HG2 ILE 72 0.540 -12.999 -14.086 1237 HG22 ILE 72 2HG2 ILE 72 1.653 -13.873 -13.035 1238 HG23 ILE 72 3HG2 ILE 72 -0.062 -14.284 -13.038 1239 HD11 ILE 72 3HD1 ILE 72 0.127 -13.561 -17.027 1240 HD12 ILE 72 1HD1 ILE 72 -0.826 -13.084 -15.622 1241 HD13 ILE 72 2HD1 ILE 72 -1.563 -14.051 -16.900 1242 H LYS 73 H LYS 73 4.048 -12.818 -15.662 1243 HA LYS 73 HA LYS 73 5.913 -14.211 -13.961 1244 HB2 LYS 73 2HB LYS 73 6.065 -11.426 -15.137 1245 HB3 LYS 73 1HB LYS 73 7.390 -12.308 -14.392 1246 HG2 LYS 73 2HG LYS 73 5.938 -13.160 -16.887 1247 HG3 LYS 73 1HG LYS 73 7.487 -12.317 -16.843 1248 HD2 LYS 73 2HD LYS 73 8.512 -14.162 -15.682 1249 HD3 LYS 73 1HD LYS 73 6.961 -14.995 -15.561 1250 HE2 LYS 73 2HE LYS 73 8.392 -15.885 -17.369 1251 HE3 LYS 73 1HE LYS 73 6.861 -15.242 -17.962 1252 HZ1 LYS 73 3HZ LYS 73 9.458 -13.790 -18.009 1253 HZ2 LYS 73 1HZ LYS 73 7.982 -13.235 -18.643 1254 HZ3 LYS 73 2HZ LYS 73 8.749 -14.574 -19.341 1255 H HIS 74 H HIS 74 5.414 -14.249 -11.848 1256 HA HIS 74 HA HIS 74 4.933 -11.655 -10.572 1257 HD1 HIS 74 1HD HIS 74 3.663 -14.665 -7.540 1258 HD2 HIS 74 2HD HIS 74 3.054 -15.624 -11.546 1259 HE1 HIS 74 1HE HIS 74 3.299 -17.152 -7.598 1260 HE2 HIS 74 2HE HIS 74 3.119 -17.733 -10.039 1261 HB2 HIS 74 2HB HIS 74 3.367 -12.641 -8.998 1262 HB3 HIS 74 1HB HIS 74 2.799 -12.889 -10.640 1263 H ALA 75 H ALA 75 6.488 -11.184 -9.248 1264 HA ALA 75 HA ALA 75 8.287 -13.227 -8.284 1265 HB1 ALA 75 3HB ALA 75 8.312 -10.244 -7.820 1266 HB2 ALA 75 1HB ALA 75 9.186 -11.094 -9.094 1267 HB3 ALA 75 2HB ALA 75 9.600 -11.373 -7.403 1268 H ASP 76 H ASP 76 8.686 -13.665 -6.127 1269 HA ASP 76 HA ASP 76 6.318 -13.435 -4.454 1270 HB2 ASP 76 2HB ASP 76 7.935 -15.510 -4.854 1271 HB3 ASP 76 1HB ASP 76 8.821 -14.774 -3.524 1272 H ASP 77 H ASP 77 9.026 -11.640 -5.034 1273 HA ASP 77 HA ASP 77 9.348 -10.660 -2.298 1274 HB2 ASP 77 2HB ASP 77 10.764 -9.808 -4.839 1275 HB3 ASP 77 1HB ASP 77 11.161 -9.272 -3.212 1276 H CYS 78 H CYS 78 7.335 -10.091 -4.860 1277 HA CYS 78 HA CYS 78 7.290 -7.274 -4.997 1278 HG CYS 78 HG CYS 78 7.885 -8.346 -7.251 1279 HB2 CYS 78 2HB CYS 78 5.193 -9.332 -5.687 1280 HB3 CYS 78 1HB CYS 78 5.023 -7.610 -6.021 1281 HA PRO 79 HA PRO 79 5.394 -6.010 -1.251 1282 HB2 PRO 79 1HB PRO 79 4.987 -3.771 -1.518 1283 HB3 PRO 79 2HB PRO 79 3.981 -4.023 -2.948 1284 HG2 PRO 79 2HG PRO 79 5.924 -3.201 -3.936 1285 HG3 PRO 79 1HG PRO 79 6.968 -3.959 -2.716 1286 HD2 PRO 79 2HD PRO 79 5.599 -5.192 -5.077 1287 HD3 PRO 79 1HD PRO 79 7.224 -5.499 -4.429 1288 H VAL 80 H VAL 80 3.494 -6.925 -4.012 1289 HA VAL 80 HA VAL 80 0.927 -6.815 -2.835 1290 HB VAL 80 HB VAL 80 1.966 -8.724 -4.943 1291 HG11 VAL 80 1HG1 VAL 80 -0.066 -9.581 -3.907 1292 HG12 VAL 80 2HG1 VAL 80 -0.392 -9.037 -5.552 1293 HG13 VAL 80 3HG1 VAL 80 -0.874 -8.037 -4.182 1294 HG21 VAL 80 3HG2 VAL 80 0.463 -6.127 -5.222 1295 HG22 VAL 80 1HG2 VAL 80 0.913 -7.208 -6.540 1296 HG23 VAL 80 2HG2 VAL 80 2.164 -6.389 -5.607 1297 H VAL 81 H VAL 81 3.414 -9.331 -2.946 1298 HA VAL 81 HA VAL 81 1.948 -11.259 -1.453 1299 HB VAL 81 HB VAL 81 4.952 -11.026 -1.731 1300 HG11 VAL 81 1HG1 VAL 81 3.199 -13.399 -1.077 1301 HG12 VAL 81 2HG1 VAL 81 4.262 -12.550 0.045 1302 HG13 VAL 81 3HG1 VAL 81 4.947 -13.445 -1.310 1303 HG21 VAL 81 3HG2 VAL 81 3.903 -11.058 -3.924 1304 HG22 VAL 81 1HG2 VAL 81 2.973 -12.488 -3.478 1305 HG23 VAL 81 2HG2 VAL 81 4.729 -12.585 -3.613 1306 H ILE 82 H ILE 82 4.302 -8.768 -0.672 1307 HA ILE 82 HA ILE 82 4.575 -9.282 2.078 1308 HB ILE 82 HB ILE 82 4.742 -6.616 0.651 1309 HG12 ILE 82 2HG1 ILE 82 6.261 -8.278 -0.320 1310 HG13 ILE 82 1HG1 ILE 82 7.159 -7.041 0.549 1311 HG21 ILE 82 1HG2 ILE 82 5.853 -7.480 3.318 1312 HG22 ILE 82 2HG2 ILE 82 4.537 -6.338 3.052 1313 HG23 ILE 82 3HG2 ILE 82 6.173 -5.934 2.529 1314 HD11 ILE 82 3HD1 ILE 82 7.420 -8.562 2.441 1315 HD12 ILE 82 1HD1 ILE 82 8.091 -9.238 0.955 1316 HD13 ILE 82 2HD1 ILE 82 6.532 -9.803 1.558 1317 H ALA 83 H ALA 83 2.371 -7.110 0.312 1318 HA ALA 83 HA ALA 83 1.030 -5.969 2.446 1319 HB1 ALA 83 3HB ALA 83 -0.135 -6.726 -0.230 1320 HB2 ALA 83 1HB ALA 83 0.761 -5.248 0.122 1321 HB3 ALA 83 2HB ALA 83 -0.798 -5.539 0.895 1322 H LYS 84 H LYS 84 0.283 -8.995 0.730 1323 HA LYS 84 HA LYS 84 -2.014 -9.703 2.124 1324 HB2 LYS 84 2HB LYS 84 0.149 -11.511 1.040 1325 HB3 LYS 84 1HB LYS 84 -1.433 -12.053 1.570 1326 HG2 LYS 84 2HG LYS 84 -2.395 -10.495 -0.184 1327 HG3 LYS 84 1HG LYS 84 -0.746 -10.356 -0.804 1328 HD2 LYS 84 2HD LYS 84 -0.658 -12.808 -1.030 1329 HD3 LYS 84 1HD LYS 84 -2.332 -12.898 -0.486 1330 HE2 LYS 84 2HE LYS 84 -2.910 -11.389 -2.430 1331 HE3 LYS 84 1HE LYS 84 -1.264 -11.652 -3.010 1332 HZ1 LYS 84 3HZ LYS 84 -3.478 -13.590 -2.780 1333 HZ2 LYS 84 1HZ LYS 84 -1.870 -14.133 -2.788 1334 HZ3 LYS 84 2HZ LYS 84 -2.479 -13.268 -4.114 1335 H GLN 85 H GLN 85 1.367 -10.500 2.849 1336 HA GLN 85 HA GLN 85 0.865 -12.004 5.154 1337 HB2 GLN 85 2HB GLN 85 3.303 -10.458 4.279 1338 HB3 GLN 85 1HB GLN 85 3.279 -11.574 5.627 1339 HG2 GLN 85 2HG GLN 85 2.678 -13.399 4.126 1340 HG3 GLN 85 1HG GLN 85 2.694 -12.279 2.765 1341 HE21 GLN 85 2HE2 GLN 85 6.169 -12.212 2.430 1342 HE22 GLN 85 1HE2 GLN 85 4.650 -11.481 2.023 1343 H ILE 86 H ILE 86 1.127 -8.563 4.655 1344 HA ILE 86 HA ILE 86 1.361 -7.885 7.430 1345 HB ILE 86 HB ILE 86 0.523 -6.196 5.066 1346 HG12 ILE 86 2HG1 ILE 86 3.153 -6.352 6.562 1347 HG13 ILE 86 1HG1 ILE 86 2.842 -7.064 4.977 1348 HG21 ILE 86 1HG2 ILE 86 0.941 -4.266 6.519 1349 HG22 ILE 86 2HG2 ILE 86 1.243 -5.354 7.873 1350 HG23 ILE 86 3HG2 ILE 86 -0.361 -5.278 7.145 1351 HD11 ILE 86 3HD1 ILE 86 4.056 -4.979 4.772 1352 HD12 ILE 86 1HD1 ILE 86 2.786 -4.130 5.656 1353 HD13 ILE 86 2HD1 ILE 86 2.443 -4.824 4.074 1354 H LEU 87 H LEU 87 -1.331 -7.973 5.101 1355 HA LEU 87 HA LEU 87 -3.191 -7.028 7.081 1356 HG LEU 87 HG LEU 87 -2.691 -8.598 3.758 1357 HB2 LEU 87 2HB LEU 87 -4.906 -7.349 5.346 1358 HB3 LEU 87 1HB LEU 87 -3.557 -6.376 4.804 1359 HD11 LEU 87 1HD1 LEU 87 -4.461 -10.111 3.052 1360 HD12 LEU 87 2HD1 LEU 87 -5.633 -9.199 4.002 1361 HD13 LEU 87 3HD1 LEU 87 -4.330 -10.070 4.810 1362 HD21 LEU 87 3HD2 LEU 87 -3.888 -8.105 1.708 1363 HD22 LEU 87 1HD2 LEU 87 -3.418 -6.608 2.515 1364 HD23 LEU 87 2HD2 LEU 87 -5.086 -7.175 2.607 1365 H SER 88 H SER 88 -1.937 -10.085 6.300 1366 HA SER 88 HA SER 88 -4.267 -11.549 7.169 1367 HG SER 88 HG SER 88 -2.539 -11.746 4.686 1368 HB2 SER 88 2HB SER 88 -1.467 -12.470 6.508 1369 HB3 SER 88 1HB SER 88 -2.825 -13.531 6.868 1370 H SER 89 H SER 89 -4.576 -10.791 9.282 1371 HA SER 89 HA SER 89 -2.580 -11.283 11.299 1372 HG SER 89 HG SER 89 -6.447 -10.208 11.875 1373 HB2 SER 89 2HB SER 89 -4.638 -10.849 12.822 1374 HB3 SER 89 1HB SER 89 -4.036 -9.517 11.833 1375 H ARG 90 H ARG 90 -4.901 -13.073 9.629 1376 HA ARG 90 HA ARG 90 -4.741 -15.307 11.522 1377 HE ARG 90 HE ARG 90 -8.441 -13.477 6.984 1378 HB2 ARG 90 2HB ARG 90 -6.498 -16.334 10.017 1379 HB3 ARG 90 1HB ARG 90 -7.007 -14.891 10.885 1380 HG2 ARG 90 2HG ARG 90 -6.782 -13.547 8.921 1381 HG3 ARG 90 1HG ARG 90 -6.040 -14.879 8.034 1382 HD2 ARG 90 2HD ARG 90 -8.139 -16.145 8.222 1383 HD3 ARG 90 1HD ARG 90 -8.872 -14.784 9.073 1384 HH11 ARG 90 1HH1 ARG 90 -8.783 -16.970 6.870 1385 HH12 ARG 90 2HH1 ARG 90 -9.316 -16.976 5.215 1386 HH21 ARG 90 2HH2 ARG 90 -9.467 -15.004 4.032 1387 HH22 ARG 90 1HH2 ARG 90 -9.113 -13.493 4.824 1388 HA PRO 91 HA PRO 91 -1.667 -16.534 8.449 1389 HB2 PRO 91 1HB PRO 91 -0.087 -16.029 10.048 1390 HB3 PRO 91 2HB PRO 91 -0.003 -17.790 10.138 1391 HG2 PRO 91 2HG PRO 91 -1.168 -17.877 12.101 1392 HG3 PRO 91 1HG PRO 91 -0.572 -16.220 12.283 1393 HD2 PRO 91 2HD PRO 91 -3.266 -17.040 12.111 1394 HD3 PRO 91 1HD PRO 91 -2.658 -15.378 12.024 1395 H LYS 92 H LYS 92 -2.251 -18.155 7.138 1396 HA LYS 92 HA LYS 92 -3.175 -20.674 8.215 1397 HB2 LYS 92 2HB LYS 92 -3.366 -21.382 5.842 1398 HB3 LYS 92 1HB LYS 92 -4.249 -19.904 6.192 1399 HG2 LYS 92 2HG LYS 92 -2.640 -18.574 5.067 1400 HG3 LYS 92 1HG LYS 92 -1.504 -19.919 4.961 1401 HD2 LYS 92 2HD LYS 92 -2.566 -19.552 2.811 1402 HD3 LYS 92 1HD LYS 92 -3.069 -21.103 3.478 1403 HE2 LYS 92 2HE LYS 92 -5.156 -20.051 4.268 1404 HE3 LYS 92 1HE LYS 92 -4.653 -18.540 3.512 1405 HZ1 LYS 92 3HZ LYS 92 -6.183 -19.803 2.109 1406 HZ2 LYS 92 1HZ LYS 92 -5.102 -21.109 2.084 1407 HZ3 LYS 92 2HZ LYS 92 -4.671 -19.632 1.365 1408 H LEU 93 H LEU 93 -1.764 -22.032 9.044 1409 HA LEU 93 HA LEU 93 0.973 -22.157 8.193 1410 HG LEU 93 HG LEU 93 1.410 -25.129 9.180 1411 HB2 LEU 93 2HB LEU 93 0.328 -22.643 10.509 1412 HB3 LEU 93 1HB LEU 93 -0.637 -24.002 9.966 1413 HD11 LEU 93 1HD1 LEU 93 3.599 -24.257 9.795 1414 HD12 LEU 93 2HD1 LEU 93 2.849 -22.807 10.459 1415 HD13 LEU 93 3HD1 LEU 93 2.756 -23.130 8.729 1416 HD21 LEU 93 3HD2 LEU 93 0.542 -25.578 11.417 1417 HD22 LEU 93 1HD2 LEU 93 1.502 -24.247 12.062 1418 HD23 LEU 93 2HD2 LEU 93 2.304 -25.666 11.388 1419 H HIS 94 H HIS 94 1.783 -23.305 6.588 1420 HA HIS 94 HA HIS 94 2.057 -24.818 4.921 1421 HD1 HIS 94 1HD HIS 94 2.590 -27.532 4.107 1422 HD2 HIS 94 2HD HIS 94 -1.570 -27.559 4.228 1423 HE1 HIS 94 1HE HIS 94 1.866 -29.112 2.286 1424 HE2 HIS 94 2HE HIS 94 -0.631 -29.298 2.561 1425 HB2 HIS 94 2HB HIS 94 1.415 -26.630 6.382 1426 HB3 HIS 94 1HB HIS 94 -0.289 -26.226 6.219 1427 H ALA 95 H ALA 95 1.555 -24.635 2.832 1428 HA ALA 95 HA ALA 95 -0.367 -22.794 1.986 1429 HB1 ALA 95 3HB ALA 95 1.003 -24.927 0.355 1430 HB2 ALA 95 1HB ALA 95 1.644 -23.323 0.711 1431 HB3 ALA 95 2HB ALA 95 0.192 -23.492 -0.274 1432 H VAL 96 H VAL 96 -2.459 -23.083 2.336 1433 HA VAL 96 HA VAL 96 -3.768 -25.187 0.845 1434 HB VAL 96 HB VAL 96 -3.633 -26.284 2.972 1435 HG11 VAL 96 1HG1 VAL 96 -4.527 -25.333 5.042 1436 HG12 VAL 96 2HG1 VAL 96 -4.816 -23.804 4.209 1437 HG13 VAL 96 3HG1 VAL 96 -3.168 -24.400 4.417 1438 HG21 VAL 96 3HG2 VAL 96 -5.730 -26.549 1.791 1439 HG22 VAL 96 1HG2 VAL 96 -6.387 -25.121 2.591 1440 HG23 VAL 96 2HG2 VAL 96 -6.006 -26.562 3.534 Start of MODEL 20 1 HA MET 1 HA MET 1 6.480 25.382 -0.139 2 H1 MET 1 1H MET 1 4.085 25.517 -0.286 3 H2 MET 1 2H MET 1 4.099 24.601 -1.709 4 H3 MET 1 3H MET 1 4.814 26.133 -1.683 5 HB2 MET 1 2HB MET 1 5.035 22.738 -0.431 6 HB3 MET 1 1HB MET 1 6.628 22.911 0.294 7 HG2 MET 1 2HG MET 1 5.003 22.774 2.039 8 HG3 MET 1 1HG MET 1 5.640 24.418 1.994 9 HE1 MET 1 3HE MET 1 1.976 25.143 3.089 10 HE2 MET 1 1HE MET 1 3.681 25.510 3.358 11 HE3 MET 1 2HE MET 1 3.077 23.877 3.634 12 H GLY 2 H GLY 2 8.397 25.126 -1.178 13 HA2 GLY 2 2HA GLY 2 8.299 23.865 -3.843 14 HA3 GLY 2 1HA GLY 2 8.911 25.500 -3.665 15 H SER 3 H SER 3 9.593 23.179 -1.167 16 HA SER 3 HA SER 3 12.396 23.262 -1.853 17 HG SER 3 HG SER 3 10.422 22.348 1.446 18 HB2 SER 3 2HB SER 3 12.598 21.776 0.218 19 HB3 SER 3 1HB SER 3 11.971 23.403 0.480 20 H SER 4 H SER 4 12.550 22.170 -3.788 21 HA SER 4 HA SER 4 11.360 19.548 -4.058 22 HG SER 4 HG SER 4 12.508 22.382 -6.370 23 HB2 SER 4 2HB SER 4 12.498 19.710 -6.372 24 HB3 SER 4 1HB SER 4 11.171 20.820 -6.025 25 H HIS 5 H HIS 5 12.384 18.029 -2.923 26 HA HIS 5 HA HIS 5 15.286 17.765 -3.175 27 HD1 HIS 5 1HD HIS 5 13.489 18.463 0.436 28 HD2 HIS 5 2HD HIS 5 17.150 17.028 -0.935 29 HE1 HIS 5 1HE HIS 5 15.231 19.493 1.930 30 HE2 HIS 5 2HE HIS 5 17.403 18.421 1.230 31 HB2 HIS 5 2HB HIS 5 13.237 16.678 -1.306 32 HB3 HIS 5 1HB HIS 5 14.650 15.680 -1.621 33 H HIS 6 H HIS 6 15.383 17.139 -5.352 34 HA HIS 6 HA HIS 6 13.951 14.944 -6.423 35 HD1 HIS 6 1HD HIS 6 17.579 14.131 -8.687 36 HD2 HIS 6 2HD HIS 6 13.522 14.766 -9.357 37 HE1 HIS 6 1HE HIS 6 16.966 12.641 -10.624 38 HE2 HIS 6 2HE HIS 6 14.545 13.155 -11.110 39 HB2 HIS 6 2HB HIS 6 15.132 16.666 -7.797 40 HB3 HIS 6 1HB HIS 6 16.666 15.974 -7.281 41 H HIS 7 H HIS 7 14.139 12.883 -5.938 42 HA HIS 7 HA HIS 7 16.631 11.998 -4.659 43 HD1 HIS 7 1HD HIS 7 12.811 13.424 -3.745 44 HD2 HIS 7 2HD HIS 7 12.893 9.269 -3.805 45 HE1 HIS 7 1HE HIS 7 10.419 12.704 -4.020 46 HE2 HIS 7 2HE HIS 7 10.548 10.205 -4.339 47 HB2 HIS 7 2HB HIS 7 15.218 10.574 -3.147 48 HB3 HIS 7 1HB HIS 7 15.062 12.306 -2.872 49 H HIS 8 H HIS 8 17.535 10.365 -5.622 50 HA HIS 8 HA HIS 8 15.819 8.372 -6.960 51 HD1 HIS 8 1HD HIS 8 19.533 6.757 -8.196 52 HD2 HIS 8 2HD HIS 8 15.897 7.597 -10.040 53 HE1 HIS 8 1HE HIS 8 19.143 4.876 -9.816 54 HE2 HIS 8 2HE HIS 8 17.048 5.516 -11.063 55 HB2 HIS 8 2HB HIS 8 17.235 9.641 -8.572 56 HB3 HIS 8 1HB HIS 8 18.669 9.103 -7.705 57 H HIS 9 H HIS 9 15.640 7.185 -5.048 58 HA HIS 9 HA HIS 9 17.986 5.553 -4.481 59 HD1 HIS 9 1HD HIS 9 19.767 8.055 -2.254 60 HD2 HIS 9 2HD HIS 9 18.613 4.097 -1.677 61 HE1 HIS 9 1HE HIS 9 21.777 6.892 -1.277 62 HE2 HIS 9 2HE HIS 9 21.024 4.522 -0.835 63 HB2 HIS 9 2HB HIS 9 17.398 7.694 -2.827 64 HB3 HIS 9 1HB HIS 9 16.637 6.333 -2.009 65 H HIS 10 H HIS 10 17.426 3.493 -4.297 66 HA HIS 10 HA HIS 10 14.605 2.801 -4.215 67 HD1 HIS 10 1HD HIS 10 14.109 0.824 -6.686 68 HD2 HIS 10 2HD HIS 10 15.316 -1.129 -3.214 69 HE1 HIS 10 1HE HIS 10 12.637 -1.206 -6.501 70 HE2 HIS 10 2HE HIS 10 13.533 -2.483 -4.520 71 HB2 HIS 10 2HB HIS 10 16.310 1.693 -5.745 72 HB3 HIS 10 1HB HIS 10 16.963 0.911 -4.310 73 H SER 11 H SER 11 13.670 2.772 -2.274 74 HA SER 11 HA SER 11 14.936 2.679 0.186 75 HG SER 11 HG SER 11 11.637 4.009 0.036 76 HB2 SER 11 2HB SER 11 12.115 1.764 -0.408 77 HB3 SER 11 1HB SER 11 12.731 2.358 1.135 78 H SER 12 H SER 12 15.764 1.124 1.413 79 HA SER 12 HA SER 12 15.713 -1.622 0.533 80 HG SER 12 HG SER 12 17.829 0.630 1.399 81 HB2 SER 12 2HB SER 12 16.892 -0.478 3.078 82 HB3 SER 12 1HB SER 12 17.309 -2.006 2.301 83 H GLY 13 H GLY 13 15.648 -3.064 2.881 84 HA2 GLY 13 2HA GLY 13 14.153 -2.831 4.963 85 HA3 GLY 13 1HA GLY 13 12.879 -2.622 3.774 86 H ARG 14 H ARG 14 13.121 -4.644 5.790 87 HA ARG 14 HA ARG 14 12.324 -6.922 4.445 88 HE ARG 14 HE ARG 14 17.926 -7.598 6.784 89 HB2 ARG 14 2HB ARG 14 14.211 -8.453 4.748 90 HB3 ARG 14 1HB ARG 14 14.640 -7.138 3.667 91 HG2 ARG 14 2HG ARG 14 15.809 -6.027 5.547 92 HG3 ARG 14 1HG ARG 14 15.452 -7.438 6.552 93 HD2 ARG 14 2HD ARG 14 16.628 -8.857 4.923 94 HD3 ARG 14 1HD ARG 14 17.039 -7.420 3.990 95 HH11 ARG 14 1HH1 ARG 14 18.652 -7.448 3.365 96 HH12 ARG 14 2HH1 ARG 14 20.378 -7.399 3.596 97 HH21 ARG 14 2HH2 ARG 14 21.257 -7.492 5.730 98 HH22 ARG 14 1HH2 ARG 14 20.195 -7.542 7.102 99 H GLU 15 H GLU 15 12.974 -8.947 6.156 100 HA GLU 15 HA GLU 15 12.429 -9.850 8.159 101 HB2 GLU 15 2HB GLU 15 12.945 -7.065 9.236 102 HB3 GLU 15 1HB GLU 15 12.711 -8.504 10.215 103 HG2 GLU 15 2HG GLU 15 14.731 -9.484 9.341 104 HG3 GLU 15 1HG GLU 15 14.940 -8.127 8.233 105 H ASN 16 H ASN 16 10.858 -8.980 10.255 106 HA ASN 16 HA ASN 16 8.642 -7.451 9.375 107 HB2 ASN 16 2HB ASN 16 6.959 -9.362 9.512 108 HB3 ASN 16 1HB ASN 16 7.932 -9.261 8.052 109 HD21 ASN 16 2HD2 ASN 16 8.181 -12.475 10.511 110 HD22 ASN 16 1HD2 ASN 16 7.280 -11.068 10.948 111 H LEU 17 H LEU 17 8.534 -6.366 11.213 112 HA LEU 17 HA LEU 17 7.857 -7.901 13.627 113 HG LEU 17 HG LEU 17 10.730 -6.902 13.419 114 HB2 LEU 17 2HB LEU 17 9.045 -5.147 13.324 115 HB3 LEU 17 1HB LEU 17 8.340 -5.710 14.828 116 HD11 LEU 17 1HD1 LEU 17 11.184 -4.793 14.569 117 HD12 LEU 17 2HD1 LEU 17 11.960 -6.155 15.379 118 HD13 LEU 17 3HD1 LEU 17 10.488 -5.450 16.050 119 HD21 LEU 17 3HD2 LEU 17 10.904 -8.390 15.343 120 HD22 LEU 17 1HD2 LEU 17 9.383 -8.641 14.486 121 HD23 LEU 17 2HD2 LEU 17 9.404 -7.735 15.999 122 H TYR 18 H TYR 18 5.816 -7.861 14.185 123 HA TYR 18 HA TYR 18 3.943 -6.511 12.527 124 HD1 TYR 18 1HD TYR 18 2.800 -7.863 11.360 125 HD2 TYR 18 2HD TYR 18 0.774 -8.068 15.097 126 HE1 TYR 18 1HE TYR 18 0.651 -7.999 10.178 127 HE2 TYR 18 2HE TYR 18 -1.384 -8.203 13.921 128 HH TYR 18 HH TYR 18 -1.559 -8.579 10.439 129 HB2 TYR 18 2HB TYR 18 3.800 -8.809 13.852 130 HB3 TYR 18 1HB TYR 18 3.079 -7.782 15.087 131 H PHE 19 H PHE 19 2.026 -5.361 13.579 132 HA PHE 19 HA PHE 19 2.936 -2.861 14.344 133 HD1 PHE 19 2HD PHE 19 1.774 -1.472 12.566 134 HD2 PHE 19 1HD PHE 19 -0.558 -5.020 12.837 135 HE1 PHE 19 2HE PHE 19 1.438 -1.430 10.129 136 HE2 PHE 19 1HE PHE 19 -0.893 -4.990 10.399 137 HZ PHE 19 HZ PHE 19 0.103 -3.190 9.043 138 HB2 PHE 19 2HB PHE 19 0.175 -4.013 14.771 139 HB3 PHE 19 1HB PHE 19 0.591 -2.301 14.743 140 H GLN 20 H GLN 20 2.766 -1.658 16.221 141 HA GLN 20 HA GLN 20 2.748 -1.161 18.434 142 HB2 GLN 20 2HB GLN 20 0.784 -2.598 18.708 143 HB3 GLN 20 1HB GLN 20 1.824 -4.004 18.873 144 HG2 GLN 20 2HG GLN 20 2.697 -3.197 20.944 145 HG3 GLN 20 1HG GLN 20 1.868 -1.652 20.747 146 HE21 GLN 20 2HE2 GLN 20 -0.084 -4.928 22.132 147 HE22 GLN 20 1HE2 GLN 20 1.517 -5.030 21.474 148 H GLY 21 H GLY 21 4.215 -4.198 17.447 149 HA2 GLY 21 2HA GLY 21 6.500 -3.573 19.212 150 HA3 GLY 21 1HA GLY 21 6.109 -5.185 18.618 151 H MET 22 H MET 22 6.388 -2.019 17.057 152 HA MET 22 HA MET 22 7.772 -3.307 14.832 153 HB2 MET 22 2HB MET 22 6.656 -0.504 15.029 154 HB3 MET 22 1HB MET 22 7.225 -1.304 13.570 155 HG2 MET 22 2HG MET 22 5.422 -2.917 13.720 156 HG3 MET 22 1HG MET 22 4.869 -2.185 15.223 157 HE1 MET 22 3HE MET 22 4.608 -0.248 11.050 158 HE2 MET 22 1HE MET 22 5.149 -1.897 11.366 159 HE3 MET 22 2HE MET 22 6.150 -0.529 11.859 160 H THR 23 H THR 23 9.291 -1.509 13.702 161 HA THR 23 HA THR 23 10.942 -0.079 15.566 162 HB THR 23 HB THR 23 11.759 -2.424 15.830 163 HG1 THR 23 1HG THR 23 13.354 -0.987 16.248 164 HG21 THR 23 3HG2 THR 23 13.024 -3.454 13.983 165 HG22 THR 23 1HG2 THR 23 12.521 -2.141 12.919 166 HG23 THR 23 2HG2 THR 23 11.319 -3.252 13.579 167 H ASP 24 H ASP 24 13.220 0.108 13.975 168 HA ASP 24 HA ASP 24 12.565 2.229 12.321 169 HB2 ASP 24 2HB ASP 24 14.803 1.878 13.236 170 HB3 ASP 24 1HB ASP 24 15.007 0.454 12.220 171 H THR 25 H THR 25 13.579 -1.025 11.252 172 HA THR 25 HA THR 25 13.319 -0.488 8.513 173 HB THR 25 HB THR 25 13.066 -3.216 9.786 174 HG1 THR 25 1HG THR 25 15.494 -3.091 9.343 175 HG21 THR 25 3HG2 THR 25 12.655 -3.126 7.374 176 HG22 THR 25 1HG2 THR 25 14.169 -3.962 7.725 177 HG23 THR 25 2HG2 THR 25 14.194 -2.298 7.138 178 H ALA 26 H ALA 26 11.021 -1.735 10.868 179 HA ALA 26 HA ALA 26 9.048 -2.740 9.196 180 HB1 ALA 26 3HB ALA 26 8.624 -1.307 11.817 181 HB2 ALA 26 1HB ALA 26 9.067 -3.007 11.646 182 HB3 ALA 26 2HB ALA 26 7.511 -2.436 11.045 183 H ALA 27 H ALA 27 9.733 0.578 10.098 184 HA ALA 27 HA ALA 27 7.295 1.686 9.137 185 HB1 ALA 27 3HB ALA 27 8.703 2.831 10.786 186 HB2 ALA 27 1HB ALA 27 8.415 3.837 9.368 187 HB3 ALA 27 2HB ALA 27 9.967 3.025 9.571 188 H GLU 28 H GLU 28 10.385 0.956 7.685 189 HA GLU 28 HA GLU 28 10.022 2.650 5.406 190 HB2 GLU 28 2HB GLU 28 12.234 1.870 6.454 191 HB3 GLU 28 1HB GLU 28 11.963 0.355 5.604 192 HG2 GLU 28 2HG GLU 28 13.425 1.688 4.291 193 HG3 GLU 28 1HG GLU 28 11.862 1.650 3.477 194 H ASP 29 H ASP 29 9.556 -0.780 6.113 195 HA ASP 29 HA ASP 29 9.095 -1.532 3.402 196 HB2 ASP 29 2HB ASP 29 8.695 -2.912 6.031 197 HB3 ASP 29 1HB ASP 29 8.081 -3.623 4.539 198 H VAL 30 H VAL 30 6.938 -0.615 6.063 199 HA VAL 30 HA VAL 30 4.538 -1.127 4.620 200 HB VAL 30 HB VAL 30 4.990 0.864 6.860 201 HG11 VAL 30 1HG1 VAL 30 2.936 1.292 5.588 202 HG12 VAL 30 2HG1 VAL 30 2.590 0.729 7.223 203 HG13 VAL 30 3HG1 VAL 30 2.427 -0.376 5.858 204 HG21 VAL 30 3HG2 VAL 30 4.084 -2.013 6.924 205 HG22 VAL 30 1HG2 VAL 30 4.058 -0.913 8.302 206 HG23 VAL 30 2HG2 VAL 30 5.594 -1.365 7.565 207 H ARG 31 H ARG 31 6.622 1.676 5.001 208 HA ARG 31 HA ARG 31 5.214 3.537 3.442 209 HE ARG 31 HE ARG 31 8.381 7.488 2.580 210 HB2 ARG 31 2HB ARG 31 7.086 4.119 4.893 211 HB3 ARG 31 1HB ARG 31 8.179 3.167 3.906 212 HG2 ARG 31 2HG ARG 31 7.774 4.726 2.029 213 HG3 ARG 31 1HG ARG 31 6.785 5.712 3.114 214 HD2 ARG 31 2HD ARG 31 8.736 5.887 4.636 215 HD3 ARG 31 1HD ARG 31 9.703 5.035 3.437 216 HH11 ARG 31 1HH1 ARG 31 11.306 5.815 3.520 217 HH12 ARG 31 2HH1 ARG 31 12.359 7.132 3.084 218 HH21 ARG 31 2HH2 ARG 31 11.481 9.065 2.175 219 HH22 ARG 31 1HH2 ARG 31 9.759 9.223 1.948 220 H LYS 32 H LYS 32 7.506 1.025 2.623 221 HA LYS 32 HA LYS 32 7.971 1.554 -0.069 222 HB2 LYS 32 2HB LYS 32 9.206 -0.054 1.331 223 HB3 LYS 32 1HB LYS 32 7.797 -1.098 1.369 224 HG2 LYS 32 2HG LYS 32 7.987 -1.413 -1.059 225 HG3 LYS 32 1HG LYS 32 9.436 -0.404 -1.058 226 HD2 LYS 32 2HD LYS 32 9.068 -3.008 0.427 227 HD3 LYS 32 1HD LYS 32 10.055 -2.758 -1.015 228 HE2 LYS 32 2HE LYS 32 11.567 -1.357 0.163 229 HE3 LYS 32 1HE LYS 32 10.496 -1.264 1.558 230 HZ1 LYS 32 3HZ LYS 32 12.414 -2.773 1.840 231 HZ2 LYS 32 1HZ LYS 32 11.780 -3.771 0.635 232 HZ3 LYS 32 2HZ LYS 32 10.922 -3.533 2.082 233 H ILE 33 H ILE 33 5.431 -0.377 1.481 234 HA ILE 33 HA ILE 33 4.177 -1.326 -0.846 235 HB ILE 33 HB ILE 33 2.832 -0.676 1.784 236 HG12 ILE 33 2HG1 ILE 33 4.095 -3.279 0.907 237 HG13 ILE 33 1HG1 ILE 33 4.827 -2.147 2.041 238 HG21 ILE 33 1HG2 ILE 33 1.246 -2.444 1.116 239 HG22 ILE 33 2HG2 ILE 33 2.079 -2.576 -0.433 240 HG23 ILE 33 3HG2 ILE 33 1.249 -1.082 -0.005 241 HD11 ILE 33 3HD1 ILE 33 3.758 -4.003 3.189 242 HD12 ILE 33 1HD1 ILE 33 2.219 -3.594 2.432 243 HD13 ILE 33 2HD1 ILE 33 2.967 -2.475 3.572 244 H ALA 34 H ALA 34 3.577 1.556 1.119 245 HA ALA 34 HA ALA 34 1.362 2.530 -0.298 246 HB1 ALA 34 3HB ALA 34 2.010 3.283 1.952 247 HB2 ALA 34 1HB ALA 34 1.765 4.629 0.839 248 HB3 ALA 34 2HB ALA 34 3.399 4.117 1.257 249 H THR 35 H THR 35 4.787 2.805 -0.901 250 HA THR 35 HA THR 35 4.598 4.972 -2.738 251 HB THR 35 HB THR 35 6.820 2.938 -2.452 252 HG1 THR 35 1HG THR 35 6.268 4.130 -0.489 253 HG21 THR 35 3HG2 THR 35 8.240 4.729 -3.372 254 HG22 THR 35 1HG2 THR 35 6.810 5.737 -3.593 255 HG23 THR 35 2HG2 THR 35 6.985 4.242 -4.513 256 H ALA 36 H ALA 36 4.525 1.470 -3.031 257 HA ALA 36 HA ALA 36 4.828 1.272 -5.833 258 HB1 ALA 36 3HB ALA 36 3.320 -0.565 -3.969 259 HB2 ALA 36 1HB ALA 36 5.049 -0.639 -4.310 260 HB3 ALA 36 2HB ALA 36 3.882 -0.956 -5.594 261 H LEU 37 H LEU 37 2.164 2.214 -3.845 262 HA LEU 37 HA LEU 37 0.017 1.540 -5.515 263 HG LEU 37 HG LEU 37 0.843 1.933 -2.344 264 HB2 LEU 37 2HB LEU 37 0.140 3.878 -3.616 265 HB3 LEU 37 1HB LEU 37 -1.293 3.035 -4.168 266 HD11 LEU 37 1HD1 LEU 37 -0.970 1.879 -0.695 267 HD12 LEU 37 2HD1 LEU 37 -2.052 2.638 -1.863 268 HD13 LEU 37 3HD1 LEU 37 -0.647 3.517 -1.259 269 HD21 LEU 37 3HD2 LEU 37 -0.558 -0.057 -2.181 270 HD22 LEU 37 1HD2 LEU 37 -0.027 0.199 -3.842 271 HD23 LEU 37 2HD2 LEU 37 -1.675 0.614 -3.367 272 H LEU 38 H LEU 38 2.223 4.238 -5.571 273 HA LEU 38 HA LEU 38 0.623 5.925 -7.205 274 HG LEU 38 HG LEU 38 3.128 8.130 -5.622 275 HB2 LEU 38 2HB LEU 38 3.573 5.876 -6.606 276 HB3 LEU 38 1HB LEU 38 2.868 7.041 -7.708 277 HD11 LEU 38 1HD1 LEU 38 0.838 8.706 -5.010 278 HD12 LEU 38 2HD1 LEU 38 0.246 7.305 -5.905 279 HD13 LEU 38 3HD1 LEU 38 1.044 8.626 -6.759 280 HD21 LEU 38 3HD2 LEU 38 3.389 6.184 -4.190 281 HD22 LEU 38 1HD2 LEU 38 1.669 5.824 -4.344 282 HD23 LEU 38 2HD2 LEU 38 2.192 7.296 -3.526 283 H LYS 39 H LYS 39 2.848 3.323 -7.842 284 HA LYS 39 HA LYS 39 2.912 3.911 -10.684 285 HB2 LYS 39 2HB LYS 39 4.300 1.850 -8.982 286 HB3 LYS 39 1HB LYS 39 4.433 1.901 -10.728 287 HG2 LYS 39 2HG LYS 39 5.287 4.252 -10.485 288 HG3 LYS 39 1HG LYS 39 5.373 3.948 -8.751 289 HD2 LYS 39 2HD LYS 39 7.537 3.567 -9.798 290 HD3 LYS 39 1HD LYS 39 6.879 2.059 -9.162 291 HE2 LYS 39 2HE LYS 39 7.868 1.736 -11.377 292 HE3 LYS 39 1HE LYS 39 6.134 1.424 -11.396 293 HZ1 LYS 39 3HZ LYS 39 6.899 2.734 -13.312 294 HZ2 LYS 39 1HZ LYS 39 7.402 3.972 -12.270 295 HZ3 LYS 39 2HZ LYS 39 5.758 3.575 -12.385 296 H THR 40 H THR 40 2.037 1.160 -8.589 297 HA THR 40 HA THR 40 0.635 0.003 -10.913 298 HB THR 40 HB THR 40 1.768 -1.649 -8.665 299 HG1 THR 40 1HG THR 40 3.119 -0.704 -10.999 300 HG21 THR 40 3HG2 THR 40 0.254 -2.770 -10.214 301 HG22 THR 40 1HG2 THR 40 1.901 -3.353 -10.455 302 HG23 THR 40 2HG2 THR 40 1.200 -2.196 -11.588 303 H ALA 41 H ALA 41 -0.652 1.758 -9.071 304 HA ALA 41 HA ALA 41 -2.794 -0.092 -8.336 305 HB1 ALA 41 3HB ALA 41 -1.626 0.353 -6.244 306 HB2 ALA 41 1HB ALA 41 -3.233 1.079 -6.237 307 HB3 ALA 41 2HB ALA 41 -1.810 2.087 -6.502 308 H ILE 42 H ILE 42 -2.108 1.941 -10.435 309 HA ILE 42 HA ILE 42 -4.631 3.454 -10.275 310 HB ILE 42 HB ILE 42 -2.067 4.368 -11.608 311 HG12 ILE 42 2HG1 ILE 42 -1.958 4.548 -9.156 312 HG13 ILE 42 1HG1 ILE 42 -2.007 6.134 -9.921 313 HG21 ILE 42 1HG2 ILE 42 -3.253 6.448 -12.057 314 HG22 ILE 42 2HG2 ILE 42 -4.717 5.777 -11.339 315 HG23 ILE 42 3HG2 ILE 42 -4.060 5.078 -12.819 316 HD11 ILE 42 3HD1 ILE 42 -4.393 6.300 -9.383 317 HD12 ILE 42 1HD1 ILE 42 -3.401 6.083 -7.942 318 HD13 ILE 42 2HD1 ILE 42 -4.317 4.724 -8.595 319 H GLU 43 H GLU 43 -5.987 2.519 -11.683 320 HA GLU 43 HA GLU 43 -4.806 1.176 -14.014 321 HB2 GLU 43 2HB GLU 43 -6.858 -0.235 -14.014 322 HB3 GLU 43 1HB GLU 43 -5.860 -0.418 -12.580 323 HG2 GLU 43 2HG GLU 43 -8.247 1.396 -12.639 324 HG3 GLU 43 1HG GLU 43 -8.377 -0.320 -12.258 325 H ILE 44 H ILE 44 -6.101 1.021 -15.931 326 HA ILE 44 HA ILE 44 -7.834 3.355 -16.355 327 HB ILE 44 HB ILE 44 -5.771 3.714 -17.538 328 HG12 ILE 44 2HG1 ILE 44 -8.105 4.045 -18.711 329 HG13 ILE 44 1HG1 ILE 44 -6.608 4.312 -19.596 330 HG21 ILE 44 1HG2 ILE 44 -4.896 1.485 -17.620 331 HG22 ILE 44 2HG2 ILE 44 -4.934 2.151 -19.252 332 HG23 ILE 44 3HG2 ILE 44 -6.159 0.987 -18.748 333 HD11 ILE 44 3HD1 ILE 44 -8.206 3.095 -20.947 334 HD12 ILE 44 1HD1 ILE 44 -8.336 1.844 -19.709 335 HD13 ILE 44 2HD1 ILE 44 -6.818 2.070 -20.579 336 H VAL 45 H VAL 45 -9.842 2.907 -16.973 337 HA VAL 45 HA VAL 45 -10.478 0.138 -17.649 338 HB VAL 45 HB VAL 45 -12.855 0.821 -17.326 339 HG11 VAL 45 1HG1 VAL 45 -11.555 -0.182 -15.511 340 HG12 VAL 45 2HG1 VAL 45 -12.736 0.972 -14.895 341 HG13 VAL 45 3HG1 VAL 45 -11.033 1.422 -14.996 342 HG21 VAL 45 3HG2 VAL 45 -11.642 3.443 -16.452 343 HG22 VAL 45 1HG2 VAL 45 -13.325 2.975 -16.214 344 HG23 VAL 45 2HG2 VAL 45 -12.690 3.185 -17.847 345 H SER 46 H SER 46 -11.030 -0.486 -19.616 346 HA SER 46 HA SER 46 -11.016 1.480 -21.750 347 HG SER 46 HG SER 46 -9.209 -0.097 -21.114 348 HB2 SER 46 2HB SER 46 -11.294 -1.524 -21.950 349 HB3 SER 46 1HB SER 46 -10.836 -0.408 -23.237 350 H GLU 47 H GLU 47 -12.754 2.061 -22.954 351 HA GLU 47 HA GLU 47 -15.363 1.244 -22.001 352 HB2 GLU 47 2HB GLU 47 -14.480 3.219 -24.102 353 HB3 GLU 47 1HB GLU 47 -16.168 2.881 -23.754 354 HG2 GLU 47 2HG GLU 47 -15.779 3.559 -21.409 355 HG3 GLU 47 1HG GLU 47 -14.127 3.995 -21.845 356 H GLU 48 H GLU 48 -16.907 0.156 -23.133 357 HA GLU 48 HA GLU 48 -16.022 -1.967 -24.749 358 HB2 GLU 48 2HB GLU 48 -17.947 -2.076 -23.237 359 HB3 GLU 48 1HB GLU 48 -18.812 -0.928 -24.244 360 HG2 GLU 48 2HG GLU 48 -18.776 -2.554 -26.085 361 HG3 GLU 48 1HG GLU 48 -17.969 -3.707 -25.018 362 H ASP 49 H ASP 49 -17.774 0.999 -25.503 363 HA ASP 49 HA ASP 49 -17.966 0.483 -28.307 364 HB2 ASP 49 2HB ASP 49 -19.536 2.038 -27.471 365 HB3 ASP 49 1HB ASP 49 -18.300 2.959 -26.622 366 H GLY 50 H GLY 50 -15.846 2.519 -26.332 367 HA2 GLY 50 2HA GLY 50 -13.452 2.064 -27.455 368 HA3 GLY 50 1HA GLY 50 -14.187 3.173 -28.606 369 H GLY 51 H GLY 51 -12.655 2.842 -25.559 370 HA2 GLY 51 2HA GLY 51 -12.011 5.569 -25.431 371 HA3 GLY 51 1HA GLY 51 -13.340 5.236 -24.327 372 H ALA 52 H ALA 52 -10.871 6.131 -23.496 373 HA ALA 52 HA ALA 52 -9.974 3.862 -21.875 374 HB1 ALA 52 3HB ALA 52 -8.362 4.151 -23.700 375 HB2 ALA 52 1HB ALA 52 -7.646 4.538 -22.134 376 HB3 ALA 52 2HB ALA 52 -8.133 5.834 -23.228 377 H HIS 53 H HIS 53 -10.674 4.467 -19.915 378 HA HIS 53 HA HIS 53 -10.196 7.258 -19.082 379 HD1 HIS 53 1HD HIS 53 -12.908 8.934 -18.134 380 HD2 HIS 53 2HD HIS 53 -13.374 5.877 -20.912 381 HE1 HIS 53 1HE HIS 53 -14.317 9.898 -19.971 382 HE2 HIS 53 2HE HIS 53 -14.648 8.013 -21.614 383 HB2 HIS 53 2HB HIS 53 -12.352 5.305 -18.294 384 HB3 HIS 53 1HB HIS 53 -11.989 6.738 -17.336 385 H ASN 54 H ASN 54 -8.541 7.454 -17.716 386 HA ASN 54 HA ASN 54 -7.630 5.214 -16.124 387 HB2 ASN 54 2HB ASN 54 -6.057 6.892 -17.124 388 HB3 ASN 54 1HB ASN 54 -6.749 8.120 -16.069 389 HD21 ASN 54 2HD2 ASN 54 -5.015 7.105 -13.218 390 HD22 ASN 54 1HD2 ASN 54 -6.318 8.042 -13.855 391 H GLN 55 H GLN 55 -8.776 4.696 -14.316 392 HA GLN 55 HA GLN 55 -10.250 6.904 -13.037 393 HB2 GLN 55 2HB GLN 55 -11.748 5.632 -14.488 394 HB3 GLN 55 1HB GLN 55 -11.302 4.144 -13.665 395 HG2 GLN 55 2HG GLN 55 -12.261 5.019 -11.585 396 HG3 GLN 55 1HG GLN 55 -12.735 6.488 -12.436 397 HE21 GLN 55 2HE2 GLN 55 -14.874 3.068 -12.793 398 HE22 GLN 55 1HE2 GLN 55 -13.341 3.105 -11.999 399 H CYS 56 H CYS 56 -10.203 7.008 -10.911 400 HA CYS 56 HA CYS 56 -8.696 5.052 -9.430 401 HG CYS 56 HG CYS 56 -10.765 8.362 -9.993 402 HB2 CYS 56 2HB CYS 56 -9.284 6.599 -7.485 403 HB3 CYS 56 1HB CYS 56 -8.285 7.277 -8.764 404 H LYS 57 H LYS 57 -9.587 3.259 -8.774 405 HA LYS 57 HA LYS 57 -12.326 2.701 -8.870 406 HB2 LYS 57 2HB LYS 57 -11.381 0.731 -7.224 407 HB3 LYS 57 1HB LYS 57 -11.364 0.689 -8.976 408 HG2 LYS 57 2HG LYS 57 -9.224 0.029 -8.153 409 HG3 LYS 57 1HG LYS 57 -9.062 1.592 -8.939 410 HD2 LYS 57 2HD LYS 57 -9.474 2.446 -6.457 411 HD3 LYS 57 1HD LYS 57 -8.822 0.853 -6.074 412 HE2 LYS 57 2HE LYS 57 -7.514 3.091 -7.593 413 HE3 LYS 57 1HE LYS 57 -6.979 2.329 -6.098 414 HZ1 LYS 57 3HZ LYS 57 -6.992 1.112 -8.812 415 HZ2 LYS 57 1HZ LYS 57 -6.614 0.269 -7.389 416 HZ3 LYS 57 2HZ LYS 57 -5.638 1.558 -7.897 417 H LEU 58 H LEU 58 -10.617 4.311 -6.415 418 HA LEU 58 HA LEU 58 -13.055 4.292 -4.846 419 HG LEU 58 HG LEU 58 -10.188 2.325 -4.726 420 HB2 LEU 58 2HB LEU 58 -11.267 4.385 -2.805 421 HB3 LEU 58 1HB LEU 58 -12.174 2.968 -3.285 422 HD11 LEU 58 1HD1 LEU 58 -8.026 3.268 -4.118 423 HD12 LEU 58 2HD1 LEU 58 -8.825 4.446 -3.075 424 HD13 LEU 58 3HD1 LEU 58 -9.080 4.496 -4.820 425 HD21 LEU 58 3HD2 LEU 58 -8.967 1.395 -2.844 426 HD22 LEU 58 1HD2 LEU 58 -10.708 1.275 -2.582 427 HD23 LEU 58 2HD2 LEU 58 -9.773 2.521 -1.751 428 H CYS 59 H CYS 59 -13.489 6.239 -5.549 429 HA CYS 59 HA CYS 59 -12.886 8.465 -4.113 430 HG CYS 59 HG CYS 59 -12.080 11.038 -6.423 431 HB2 CYS 59 2HB CYS 59 -10.580 8.283 -5.084 432 HB3 CYS 59 1HB CYS 59 -11.280 8.445 -6.689 433 H GLY 60 H GLY 60 -13.434 7.142 -7.320 434 HA2 GLY 60 2HA GLY 60 -15.457 7.227 -8.498 435 HA3 GLY 60 1HA GLY 60 -16.029 8.466 -7.391 436 H ALA 61 H ALA 61 -12.930 8.792 -8.897 437 HA ALA 61 HA ALA 61 -14.063 10.881 -10.648 438 HB1 ALA 61 3HB ALA 61 -11.369 10.960 -9.301 439 HB2 ALA 61 1HB ALA 61 -12.810 11.800 -8.727 440 HB3 ALA 61 2HB ALA 61 -12.102 12.227 -10.285 441 H SER 62 H SER 62 -13.173 11.152 -12.696 442 HA SER 62 HA SER 62 -11.480 8.920 -13.605 443 HG SER 62 HG SER 62 -11.316 9.177 -16.025 444 HB2 SER 62 2HB SER 62 -13.707 9.097 -14.688 445 HB3 SER 62 1HB SER 62 -13.287 10.712 -15.253 446 H VAL 63 H VAL 63 -9.504 9.310 -14.246 447 HA VAL 63 HA VAL 63 -8.601 12.082 -14.586 448 HB VAL 63 HB VAL 63 -7.008 9.534 -14.172 449 HG11 VAL 63 1HG1 VAL 63 -5.712 11.168 -15.403 450 HG12 VAL 63 2HG1 VAL 63 -5.094 11.018 -13.758 451 HG13 VAL 63 3HG1 VAL 63 -6.090 12.405 -14.205 452 HG21 VAL 63 3HG2 VAL 63 -7.638 11.759 -12.238 453 HG22 VAL 63 1HG2 VAL 63 -6.575 10.389 -11.919 454 HG23 VAL 63 2HG2 VAL 63 -8.297 10.124 -12.195 455 HA PRO 64 HA PRO 64 -8.257 11.582 -19.025 456 HB2 PRO 64 1HB PRO 64 -7.530 13.702 -19.368 457 HB3 PRO 64 2HB PRO 64 -5.891 13.053 -19.289 458 HG2 PRO 64 2HG PRO 64 -5.616 13.665 -17.080 459 HG3 PRO 64 1HG PRO 64 -6.783 14.915 -17.555 460 HD2 PRO 64 2HD PRO 64 -7.269 13.286 -15.491 461 HD3 PRO 64 1HD PRO 64 -8.571 13.792 -16.591 462 H TRP 65 H TRP 65 -7.369 10.037 -20.228 463 HA TRP 65 HA TRP 65 -5.527 8.192 -19.179 464 HD1 TRP 65 HD TRP 65 -5.500 7.392 -23.900 465 HE1 TRP 65 1HE TRP 65 -3.825 5.453 -24.156 466 HE3 TRP 65 3HE TRP 65 -4.924 6.157 -18.962 467 HZ2 TRP 65 2HZ TRP 65 -2.454 3.642 -22.493 468 HZ3 TRP 65 3HZ TRP 65 -3.408 4.305 -18.387 469 HH2 TRP 65 HH TRP 65 -2.200 3.074 -20.114 470 HB2 TRP 65 2HB TRP 65 -7.119 7.464 -20.810 471 HB3 TRP 65 1HB TRP 65 -6.568 8.651 -21.980 472 H LEU 66 H LEU 66 -3.396 7.789 -19.623 473 HA LEU 66 HA LEU 66 -1.227 8.169 -20.124 474 HG LEU 66 HG LEU 66 -2.810 8.043 -22.753 475 HB2 LEU 66 2HB LEU 66 -2.305 10.317 -21.948 476 HB3 LEU 66 1HB LEU 66 -0.607 9.892 -21.824 477 HD11 LEU 66 1HD1 LEU 66 -1.746 8.255 -24.947 478 HD12 LEU 66 2HD1 LEU 66 -0.626 9.446 -24.287 479 HD13 LEU 66 3HD1 LEU 66 -2.351 9.806 -24.365 480 HD21 LEU 66 3HD2 LEU 66 -1.002 6.854 -21.618 481 HD22 LEU 66 1HD2 LEU 66 0.180 7.652 -22.656 482 HD23 LEU 66 2HD2 LEU 66 -0.989 6.528 -23.351 483 H GLN 67 H GLN 67 -2.724 9.439 -17.976 484 HA GLN 67 HA GLN 67 -0.883 11.661 -17.413 485 HB2 GLN 67 2HB GLN 67 -3.712 11.283 -16.898 486 HB3 GLN 67 1HB GLN 67 -2.838 11.598 -15.405 487 HG2 GLN 67 2HG GLN 67 -2.613 13.323 -17.859 488 HG3 GLN 67 1HG GLN 67 -3.759 13.618 -16.552 489 HE21 GLN 67 2HE2 GLN 67 -1.412 14.938 -14.339 490 HE22 GLN 67 1HE2 GLN 67 -3.014 14.334 -14.571 491 H THR 68 H THR 68 -0.242 11.783 -15.068 492 HA THR 68 HA THR 68 1.175 9.472 -14.375 493 HB THR 68 HB THR 68 0.519 11.829 -12.595 494 HG1 THR 68 1HG THR 68 1.767 12.902 -13.925 495 HG21 THR 68 3HG2 THR 68 2.619 11.263 -11.462 496 HG22 THR 68 1HG2 THR 68 2.825 9.873 -12.529 497 HG23 THR 68 2HG2 THR 68 1.483 9.915 -11.386 498 H GLY 69 H GLY 69 -1.892 10.747 -13.179 499 HA2 GLY 69 2HA GLY 69 -3.482 8.927 -12.522 500 HA3 GLY 69 1HA GLY 69 -2.169 8.320 -11.523 501 H ASP 70 H ASP 70 -1.466 9.608 -9.717 502 HA ASP 70 HA ASP 70 -3.635 10.931 -8.383 503 HB2 ASP 70 2HB ASP 70 -2.078 9.598 -7.090 504 HB3 ASP 70 1HB ASP 70 -0.734 10.602 -7.617 505 H GLU 71 H GLU 71 -4.201 12.751 -9.323 506 HA GLU 71 HA GLU 71 -2.575 15.103 -9.037 507 HB2 GLU 71 2HB GLU 71 -2.382 13.671 -11.464 508 HB3 GLU 71 1HB GLU 71 -3.429 15.039 -11.805 509 HG2 GLU 71 2HG GLU 71 -0.709 15.271 -10.541 510 HG3 GLU 71 1HG GLU 71 -1.021 15.434 -12.267 511 H ILE 72 H ILE 72 -5.143 14.011 -8.172 512 HA ILE 72 HA ILE 72 -6.952 16.079 -9.142 513 HB ILE 72 HB ILE 72 -7.233 14.071 -10.623 514 HG12 ILE 72 2HG1 ILE 72 -9.650 14.650 -8.901 515 HG13 ILE 72 1HG1 ILE 72 -9.084 15.685 -10.209 516 HG21 ILE 72 1HG2 ILE 72 -6.747 12.344 -8.989 517 HG22 ILE 72 2HG2 ILE 72 -8.329 12.081 -9.720 518 HG23 ILE 72 3HG2 ILE 72 -8.210 12.754 -8.094 519 HD11 ILE 72 3HD1 ILE 72 -10.049 12.846 -10.487 520 HD12 ILE 72 1HD1 ILE 72 -9.488 13.880 -11.801 521 HD13 ILE 72 2HD1 ILE 72 -10.950 14.301 -10.910 522 H LYS 73 H LYS 73 -8.998 16.122 -7.782 523 HA LYS 73 HA LYS 73 -8.425 16.024 -5.021 524 HB2 LYS 73 2HB LYS 73 -10.529 16.937 -6.693 525 HB3 LYS 73 1HB LYS 73 -11.253 15.896 -5.476 526 HG2 LYS 73 2HG LYS 73 -11.281 18.190 -4.745 527 HG3 LYS 73 1HG LYS 73 -10.200 17.244 -3.720 528 HD2 LYS 73 2HD LYS 73 -8.270 18.108 -4.894 529 HD3 LYS 73 1HD LYS 73 -9.310 18.964 -6.036 530 HE2 LYS 73 2HE LYS 73 -10.183 20.340 -4.224 531 HE3 LYS 73 1HE LYS 73 -9.182 19.468 -3.065 532 HZ1 LYS 73 3HZ LYS 73 -7.217 20.311 -4.121 533 HZ2 LYS 73 1HZ LYS 73 -8.234 21.611 -3.737 534 HZ3 LYS 73 2HZ LYS 73 -8.127 21.065 -5.341 535 H HIS 74 H HIS 74 -9.441 14.683 -3.368 536 HA HIS 74 HA HIS 74 -10.053 11.992 -4.373 537 HD1 HIS 74 1HD HIS 74 -8.319 10.186 -5.002 538 HD2 HIS 74 2HD HIS 74 -5.806 13.115 -3.469 539 HE1 HIS 74 1HE HIS 74 -6.230 10.075 -6.393 540 HE2 HIS 74 2HE HIS 74 -4.644 11.718 -5.316 541 HB2 HIS 74 2HB HIS 74 -8.134 12.725 -2.171 542 HB3 HIS 74 1HB HIS 74 -8.768 11.096 -2.390 543 H ALA 75 H ALA 75 -10.693 10.569 -2.339 544 HA ALA 75 HA ALA 75 -13.162 11.770 -1.425 545 HB1 ALA 75 3HB ALA 75 -13.786 9.500 -0.796 546 HB2 ALA 75 1HB ALA 75 -12.165 8.943 -1.212 547 HB3 ALA 75 2HB ALA 75 -13.229 9.579 -2.467 548 H ASP 76 H ASP 76 -13.930 10.950 0.771 549 HA ASP 76 HA ASP 76 -12.393 12.334 2.711 550 HB2 ASP 76 2HB ASP 76 -14.805 12.396 2.790 551 HB3 ASP 76 1HB ASP 76 -14.888 10.644 2.918 552 H ASP 77 H ASP 77 -12.851 8.963 1.943 553 HA ASP 77 HA ASP 77 -11.032 8.251 4.170 554 HB2 ASP 77 2HB ASP 77 -13.527 7.431 4.182 555 HB3 ASP 77 1HB ASP 77 -12.954 6.266 2.995 556 H CYS 78 H CYS 78 -10.776 8.970 1.248 557 HA CYS 78 HA CYS 78 -10.131 6.798 -0.359 558 HG CYS 78 HG CYS 78 -7.203 8.737 -2.137 559 HB2 CYS 78 2HB CYS 78 -10.365 9.111 -1.176 560 HB3 CYS 78 1HB CYS 78 -8.882 9.553 -0.341 561 HA PRO 79 HA PRO 79 -6.684 5.100 1.965 562 HB2 PRO 79 1HB PRO 79 -6.411 3.018 1.017 563 HB3 PRO 79 2HB PRO 79 -6.366 3.662 -0.628 564 HG2 PRO 79 2HG PRO 79 -8.513 2.755 -0.571 565 HG3 PRO 79 1HG PRO 79 -8.730 3.151 1.143 566 HD2 PRO 79 2HD PRO 79 -8.931 4.930 -1.253 567 HD3 PRO 79 1HD PRO 79 -9.911 4.912 0.226 568 H VAL 80 H VAL 80 -6.519 6.396 -1.292 569 HA VAL 80 HA VAL 80 -3.743 6.547 -1.598 570 HB VAL 80 HB VAL 80 -5.802 8.513 -2.628 571 HG11 VAL 80 1HG1 VAL 80 -4.194 9.006 -4.378 572 HG12 VAL 80 2HG1 VAL 80 -3.032 7.903 -3.642 573 HG13 VAL 80 3HG1 VAL 80 -3.525 9.365 -2.787 574 HG21 VAL 80 3HG2 VAL 80 -6.313 6.192 -3.244 575 HG22 VAL 80 1HG2 VAL 80 -4.702 6.030 -3.945 576 HG23 VAL 80 2HG2 VAL 80 -5.862 7.161 -4.646 577 H VAL 81 H VAL 81 -5.983 8.628 0.162 578 HA VAL 81 HA VAL 81 -4.067 10.697 0.668 579 HB VAL 81 HB VAL 81 -6.622 10.086 2.170 580 HG11 VAL 81 1HG1 VAL 81 -5.138 11.531 3.437 581 HG12 VAL 81 2HG1 VAL 81 -6.531 12.441 2.850 582 HG13 VAL 81 3HG1 VAL 81 -4.967 12.605 2.049 583 HG21 VAL 81 3HG2 VAL 81 -6.135 11.928 -0.161 584 HG22 VAL 81 1HG2 VAL 81 -7.630 11.830 0.771 585 HG23 VAL 81 2HG2 VAL 81 -7.085 10.443 -0.171 586 H ILE 82 H ILE 82 -5.234 7.852 2.384 587 HA ILE 82 HA ILE 82 -3.754 8.230 4.768 588 HB ILE 82 HB ILE 82 -4.661 5.622 3.529 589 HG12 ILE 82 2HG1 ILE 82 -6.545 7.147 3.850 590 HG13 ILE 82 1HG1 ILE 82 -6.623 5.827 5.010 591 HG21 ILE 82 1HG2 ILE 82 -2.975 5.304 5.264 592 HG22 ILE 82 2HG2 ILE 82 -4.553 4.732 5.805 593 HG23 ILE 82 3HG2 ILE 82 -3.932 6.278 6.381 594 HD11 ILE 82 3HD1 ILE 82 -5.625 8.604 5.589 595 HD12 ILE 82 1HD1 ILE 82 -5.750 7.283 6.749 596 HD13 ILE 82 2HD1 ILE 82 -7.208 7.961 6.023 597 H ALA 83 H ALA 83 -3.078 6.559 1.736 598 HA ALA 83 HA ALA 83 -0.650 5.372 2.387 599 HB1 ALA 83 3HB ALA 83 -1.495 6.493 -0.281 600 HB2 ALA 83 1HB ALA 83 -1.904 4.895 0.342 601 HB3 ALA 83 2HB ALA 83 -0.224 5.299 -0.009 602 H LYS 84 H LYS 84 -1.320 8.624 1.157 603 HA LYS 84 HA LYS 84 1.308 9.487 0.781 604 HB2 LYS 84 2HB LYS 84 -1.159 11.035 1.581 605 HB3 LYS 84 1HB LYS 84 0.361 11.787 1.124 606 HG2 LYS 84 2HG LYS 84 0.205 10.864 -1.094 607 HG3 LYS 84 1HG LYS 84 -1.251 9.968 -0.652 608 HD2 LYS 84 2HD LYS 84 -2.453 12.038 -0.286 609 HD3 LYS 84 1HD LYS 84 -0.990 12.973 -0.595 610 HE2 LYS 84 2HE LYS 84 -2.351 11.164 -2.587 611 HE3 LYS 84 1HE LYS 84 -2.541 12.915 -2.523 612 HZ1 LYS 84 3HZ LYS 84 -0.153 13.135 -2.929 613 HZ2 LYS 84 1HZ LYS 84 -0.925 12.296 -4.187 614 HZ3 LYS 84 2HZ LYS 84 -0.011 11.452 -3.037 615 H GLN 85 H GLN 85 -0.698 9.420 3.656 616 HA GLN 85 HA GLN 85 1.103 10.774 5.373 617 HB2 GLN 85 2HB GLN 85 -1.240 8.939 5.844 618 HB3 GLN 85 1HB GLN 85 -0.344 9.682 7.151 619 HG2 GLN 85 2HG GLN 85 -1.011 11.855 6.510 620 HG3 GLN 85 1HG GLN 85 -1.626 11.279 4.960 621 HE21 GLN 85 2HE2 GLN 85 -4.730 10.305 6.178 622 HE22 GLN 85 1HE2 GLN 85 -3.603 10.277 4.866 623 H ILE 86 H ILE 86 0.541 7.391 4.560 624 HA ILE 86 HA ILE 86 2.255 6.325 6.568 625 HB ILE 86 HB ILE 86 1.224 5.064 4.026 626 HG12 ILE 86 2HG1 ILE 86 0.284 4.826 6.896 627 HG13 ILE 86 1HG1 ILE 86 -0.522 5.753 5.630 628 HG21 ILE 86 1HG2 ILE 86 1.793 2.916 5.072 629 HG22 ILE 86 2HG2 ILE 86 2.551 3.775 6.411 630 HG23 ILE 86 3HG2 ILE 86 3.223 3.909 4.786 631 HD11 ILE 86 3HD1 ILE 86 -1.601 3.597 6.048 632 HD12 ILE 86 1HD1 ILE 86 -0.107 2.768 5.610 633 HD13 ILE 86 2HD1 ILE 86 -0.979 3.713 4.402 634 H LEU 87 H LEU 87 2.718 7.131 3.142 635 HA LEU 87 HA LEU 87 5.398 6.066 3.152 636 HG LEU 87 HG LEU 87 2.858 8.145 1.388 637 HB2 LEU 87 2HB LEU 87 5.536 6.897 0.850 638 HB3 LEU 87 1HB LEU 87 4.127 5.898 1.124 639 HD11 LEU 87 1HD1 LEU 87 4.827 9.593 1.465 640 HD12 LEU 87 2HD1 LEU 87 3.782 9.993 0.100 641 HD13 LEU 87 3HD1 LEU 87 5.268 9.079 -0.163 642 HD21 LEU 87 3HD2 LEU 87 2.499 6.584 -0.429 643 HD22 LEU 87 1HD2 LEU 87 3.916 7.210 -1.275 644 HD23 LEU 87 2HD2 LEU 87 2.503 8.238 -1.039 645 H SER 88 H SER 88 4.140 8.722 4.488 646 HA SER 88 HA SER 88 6.294 10.539 3.758 647 HG SER 88 HG SER 88 5.154 13.036 5.481 648 HB2 SER 88 2HB SER 88 3.754 11.138 4.112 649 HB3 SER 88 1HB SER 88 4.213 11.191 5.814 650 H SER 89 H SER 89 7.035 11.872 5.821 651 HA SER 89 HA SER 89 7.441 10.704 8.289 652 HG SER 89 HG SER 89 8.976 9.638 5.289 653 HB2 SER 89 2HB SER 89 9.885 9.960 7.956 654 HB3 SER 89 1HB SER 89 8.630 8.862 7.379 655 H ARG 90 H ARG 90 8.895 12.480 5.647 656 HA ARG 90 HA ARG 90 10.029 14.442 7.486 657 HE ARG 90 HE ARG 90 14.130 12.463 5.276 658 HB2 ARG 90 2HB ARG 90 10.150 14.184 4.477 659 HB3 ARG 90 1HB ARG 90 10.858 15.520 5.371 660 HG2 ARG 90 2HG ARG 90 12.290 13.907 6.571 661 HG3 ARG 90 1HG ARG 90 11.626 12.617 5.565 662 HD2 ARG 90 2HD ARG 90 12.479 13.688 3.574 663 HD3 ARG 90 1HD ARG 90 13.059 15.054 4.524 664 HH11 ARG 90 1HH1 ARG 90 14.549 15.358 3.347 665 HH12 ARG 90 2HH1 ARG 90 16.265 15.157 3.172 666 HH21 ARG 90 2HH2 ARG 90 17.312 13.376 4.159 667 HH22 ARG 90 1HH2 ARG 90 16.396 12.205 5.056 668 HA PRO 91 HA PRO 91 6.274 16.756 7.639 669 HB2 PRO 91 1HB PRO 91 6.816 18.699 8.767 670 HB3 PRO 91 2HB PRO 91 8.226 19.018 7.748 671 HG2 PRO 91 2HG PRO 91 9.271 18.170 9.647 672 HG3 PRO 91 1HG PRO 91 7.919 17.082 10.012 673 HD2 PRO 91 2HD PRO 91 10.168 16.734 8.097 674 HD3 PRO 91 1HD PRO 91 9.266 15.515 9.019 675 H LYS 92 H LYS 92 5.321 16.673 5.677 676 HA LYS 92 HA LYS 92 6.309 18.392 3.526 677 HB2 LYS 92 2HB LYS 92 5.576 15.981 3.136 678 HB3 LYS 92 1HB LYS 92 3.932 16.518 3.443 679 HG2 LYS 92 2HG LYS 92 4.025 18.008 1.540 680 HG3 LYS 92 1HG LYS 92 5.715 17.588 1.262 681 HD2 LYS 92 2HD LYS 92 5.066 15.265 0.826 682 HD3 LYS 92 1HD LYS 92 3.376 15.683 1.110 683 HE2 LYS 92 2HE LYS 92 3.426 17.222 -0.779 684 HE3 LYS 92 1HE LYS 92 5.127 16.850 -1.052 685 HZ1 LYS 92 3HZ LYS 92 2.901 14.891 -1.244 686 HZ2 LYS 92 1HZ LYS 92 4.534 14.577 -1.567 687 HZ3 LYS 92 2HZ LYS 92 3.659 15.631 -2.561 688 H LEU 93 H LEU 93 4.961 19.174 6.116 689 HA LEU 93 HA LEU 93 3.716 20.882 6.863 690 HG LEU 93 HG LEU 93 4.997 23.617 4.784 691 HB2 LEU 93 2HB LEU 93 3.792 21.583 3.945 692 HB3 LEU 93 1HB LEU 93 2.914 22.555 5.100 693 HD11 LEU 93 1HD1 LEU 93 6.018 23.518 7.000 694 HD12 LEU 93 2HD1 LEU 93 5.123 22.038 7.347 695 HD13 LEU 93 3HD1 LEU 93 4.257 23.554 7.092 696 HD21 LEU 93 3HD2 LEU 93 7.154 22.484 5.105 697 HD22 LEU 93 1HD2 LEU 93 6.235 21.799 3.765 698 HD23 LEU 93 2HD2 LEU 93 6.307 20.950 5.309 699 H HIS 94 H HIS 94 1.492 22.153 6.080 700 HA HIS 94 HA HIS 94 -0.753 22.059 6.017 701 HD1 HIS 94 1HD HIS 94 0.417 19.570 2.389 702 HD2 HIS 94 2HD HIS 94 -1.499 23.028 3.688 703 HE1 HIS 94 1HE HIS 94 0.536 21.181 0.458 704 HE2 HIS 94 2HE HIS 94 -0.751 23.214 1.213 705 HB2 HIS 94 2HB HIS 94 -0.368 19.358 4.711 706 HB3 HIS 94 1HB HIS 94 -1.918 20.170 4.895 707 H ALA 95 H ALA 95 -0.610 18.576 6.400 708 HA ALA 95 HA ALA 95 -1.268 17.195 8.077 709 HB1 ALA 95 3HB ALA 95 -0.077 19.320 9.857 710 HB2 ALA 95 1HB ALA 95 0.817 18.013 9.080 711 HB3 ALA 95 2HB ALA 95 -0.401 17.644 10.301 712 H VAL 96 H VAL 96 -3.207 19.068 7.101 713 HA VAL 96 HA VAL 96 -5.182 18.787 9.131 714 HB VAL 96 HB VAL 96 -4.021 20.794 9.976 715 HG11 VAL 96 1HG1 VAL 96 -4.831 22.081 7.379 716 HG12 VAL 96 2HG1 VAL 96 -3.188 21.724 7.912 717 HG13 VAL 96 3HG1 VAL 96 -4.153 22.923 8.774 718 HG21 VAL 96 3HG2 VAL 96 -6.799 21.358 8.956 719 HG22 VAL 96 1HG2 VAL 96 -5.980 22.225 10.256 720 HG23 VAL 96 2HG2 VAL 96 -6.382 20.519 10.451 721 HA MET 1 HA MET 1 -18.704 9.147 -15.915 722 H1 MET 1 1H MET 1 -16.104 8.944 -14.520 723 H2 MET 1 2H MET 1 -16.990 10.371 -14.732 724 H3 MET 1 3H MET 1 -16.357 9.561 -16.079 725 HB2 MET 1 2HB MET 1 -17.191 7.348 -16.728 726 HB3 MET 1 1HB MET 1 -17.077 6.727 -15.090 727 HG2 MET 1 2HG MET 1 -19.719 6.973 -16.476 728 HG3 MET 1 1HG MET 1 -18.671 5.583 -16.739 729 HE1 MET 1 3HE MET 1 -18.426 4.121 -13.089 730 HE2 MET 1 1HE MET 1 -17.363 5.353 -13.760 731 HE3 MET 1 2HE MET 1 -17.856 3.985 -14.757 732 H GLY 2 H GLY 2 -20.458 9.071 -14.652 733 HA2 GLY 2 2HA GLY 2 -21.752 8.543 -12.789 734 HA3 GLY 2 1HA GLY 2 -20.309 7.968 -11.968 735 H SER 3 H SER 3 -22.243 9.561 -10.723 736 HA SER 3 HA SER 3 -20.969 12.191 -10.527 737 HG SER 3 HG SER 3 -23.806 10.619 -8.609 738 HB2 SER 3 2HB SER 3 -22.994 12.610 -8.976 739 HB3 SER 3 1HB SER 3 -23.306 12.442 -10.704 740 H SER 4 H SER 4 -19.974 12.892 -8.681 741 HA SER 4 HA SER 4 -19.460 10.775 -6.693 742 HG SER 4 HG SER 4 -16.859 10.505 -6.418 743 HB2 SER 4 2HB SER 4 -17.549 11.488 -8.222 744 HB3 SER 4 1HB SER 4 -17.585 13.043 -7.391 745 H HIS 5 H HIS 5 -18.259 12.111 -4.724 746 HA HIS 5 HA HIS 5 -19.816 14.458 -4.034 747 HD1 HIS 5 1HD HIS 5 -20.069 11.797 -0.087 748 HD2 HIS 5 2HD HIS 5 -19.484 10.279 -3.909 749 HE1 HIS 5 1HE HIS 5 -19.343 9.417 0.237 750 HE2 HIS 5 2HE HIS 5 -19.191 8.463 -2.091 751 HB2 HIS 5 2HB HIS 5 -20.479 13.509 -1.815 752 HB3 HIS 5 1HB HIS 5 -21.288 12.751 -3.177 753 H HIS 6 H HIS 6 -18.317 15.862 -3.502 754 HA HIS 6 HA HIS 6 -15.722 14.965 -2.614 755 HD1 HIS 6 1HD HIS 6 -16.784 17.562 -5.859 756 HD2 HIS 6 2HD HIS 6 -13.498 15.685 -4.130 757 HE1 HIS 6 1HE HIS 6 -15.314 16.857 -7.777 758 HE2 HIS 6 2HE HIS 6 -13.433 15.550 -6.711 759 HB2 HIS 6 2HB HIS 6 -16.853 17.641 -3.376 760 HB3 HIS 6 1HB HIS 6 -15.278 17.516 -2.596 761 H HIS 7 H HIS 7 -16.234 14.083 -0.623 762 HA HIS 7 HA HIS 7 -16.577 16.067 1.529 763 HD1 HIS 7 1HD HIS 7 -19.671 14.645 3.331 764 HD2 HIS 7 2HD HIS 7 -15.700 13.953 4.346 765 HE1 HIS 7 1HE HIS 7 -19.571 14.826 5.837 766 HE2 HIS 7 2HE HIS 7 -17.213 14.172 6.431 767 HB2 HIS 7 2HB HIS 7 -18.303 14.202 1.352 768 HB3 HIS 7 1HB HIS 7 -17.004 13.069 1.695 769 H HIS 8 H HIS 8 -14.907 16.196 3.044 770 HA HIS 8 HA HIS 8 -13.049 14.039 3.340 771 HD1 HIS 8 1HD HIS 8 -13.331 17.846 1.337 772 HD2 HIS 8 2HD HIS 8 -9.660 17.184 3.192 773 HE1 HIS 8 1HE HIS 8 -12.264 20.111 1.575 774 HE2 HIS 8 2HE HIS 8 -9.972 19.668 2.525 775 HB2 HIS 8 2HB HIS 8 -11.073 14.984 2.494 776 HB3 HIS 8 1HB HIS 8 -12.267 15.271 1.240 777 H HIS 9 H HIS 9 -12.229 14.013 5.307 778 HA HIS 9 HA HIS 9 -12.614 16.235 7.106 779 HD1 HIS 9 1HD HIS 9 -13.379 12.052 7.469 780 HD2 HIS 9 2HD HIS 9 -13.884 15.559 9.644 781 HE1 HIS 9 1HE HIS 9 -15.578 11.801 8.660 782 HE2 HIS 9 2HE HIS 9 -15.806 13.886 10.059 783 HB2 HIS 9 2HB HIS 9 -11.374 13.504 7.392 784 HB3 HIS 9 1HB HIS 9 -11.240 14.708 8.669 785 H HIS 10 H HIS 10 -10.529 16.616 8.599 786 HA HIS 10 HA HIS 10 -8.479 17.609 6.785 787 HD1 HIS 10 1HD HIS 10 -7.933 20.721 7.445 788 HD2 HIS 10 2HD HIS 10 -11.394 19.201 9.202 789 HE1 HIS 10 1HE HIS 10 -9.704 22.488 7.119 790 HE2 HIS 10 2HE HIS 10 -11.714 21.636 8.371 791 HB2 HIS 10 2HB HIS 10 -8.892 17.972 9.758 792 HB3 HIS 10 1HB HIS 10 -7.525 18.643 8.876 793 H SER 11 H SER 11 -6.317 16.985 6.835 794 HA SER 11 HA SER 11 -5.990 14.212 7.689 795 HG SER 11 HG SER 11 -6.570 15.063 5.409 796 HB2 SER 11 2HB SER 11 -4.131 15.901 6.003 797 HB3 SER 11 1HB SER 11 -4.141 14.143 6.150 798 H SER 12 H SER 12 -5.924 15.131 9.970 799 HA SER 12 HA SER 12 -3.555 16.528 10.767 800 HG SER 12 HG SER 12 -4.275 17.415 13.292 801 HB2 SER 12 2HB SER 12 -5.769 16.670 11.966 802 HB3 SER 12 1HB SER 12 -5.493 15.028 12.545 803 H GLY 13 H GLY 13 -1.683 15.505 10.475 804 HA2 GLY 13 2HA GLY 13 -1.344 12.910 11.824 805 HA3 GLY 13 1HA GLY 13 -0.728 13.145 10.192 806 H ARG 14 H ARG 14 0.984 12.413 12.236 807 HA ARG 14 HA ARG 14 2.474 14.913 12.674 808 HE ARG 14 HE ARG 14 2.458 9.742 15.922 809 HB2 ARG 14 2HB ARG 14 3.511 13.787 14.649 810 HB3 ARG 14 1HB ARG 14 1.794 14.113 14.814 811 HG2 ARG 14 2HG ARG 14 1.304 11.773 14.285 812 HG3 ARG 14 1HG ARG 14 3.034 11.451 14.151 813 HD2 ARG 14 2HD ARG 14 3.343 12.114 16.478 814 HD3 ARG 14 1HD ARG 14 1.624 12.463 16.614 815 HH11 ARG 14 1HH1 ARG 14 1.086 11.995 18.211 816 HH12 ARG 14 2HH1 ARG 14 0.478 10.760 19.269 817 HH21 ARG 14 2HH2 ARG 14 0.789 8.535 18.754 818 HH22 ARG 14 1HH2 ARG 14 1.666 8.085 17.315 819 H GLU 15 H GLU 15 4.372 15.073 11.739 820 HA GLU 15 HA GLU 15 5.292 12.836 10.146 821 HB2 GLU 15 2HB GLU 15 6.167 15.718 10.282 822 HB3 GLU 15 1HB GLU 15 6.872 14.528 9.197 823 HG2 GLU 15 2HG GLU 15 3.987 15.380 9.229 824 HG3 GLU 15 1HG GLU 15 5.210 15.909 8.072 825 H ASN 16 H ASN 16 6.223 11.421 11.524 826 HA ASN 16 HA ASN 16 8.973 11.847 12.076 827 HB2 ASN 16 2HB ASN 16 8.964 11.524 14.493 828 HB3 ASN 16 1HB ASN 16 8.038 12.965 14.090 829 HD21 ASN 16 2HD2 ASN 16 5.062 11.812 15.438 830 HD22 ASN 16 1HD2 ASN 16 5.876 13.030 14.517 831 H LEU 17 H LEU 17 9.678 9.787 13.567 832 HA LEU 17 HA LEU 17 8.745 7.512 12.048 833 HG LEU 17 HG LEU 17 11.525 8.947 12.419 834 HB2 LEU 17 2HB LEU 17 10.704 7.637 14.344 835 HB3 LEU 17 1HB LEU 17 10.449 6.263 13.285 836 HD11 LEU 17 1HD1 LEU 17 12.922 6.304 12.799 837 HD12 LEU 17 2HD1 LEU 17 13.102 7.729 13.823 838 HD13 LEU 17 3HD1 LEU 17 13.646 7.772 12.145 839 HD21 LEU 17 3HD2 LEU 17 11.242 6.357 10.897 840 HD22 LEU 17 1HD2 LEU 17 11.994 7.835 10.300 841 HD23 LEU 17 2HD2 LEU 17 10.266 7.808 10.658 842 H TYR 18 H TYR 18 6.510 8.002 12.973 843 HA TYR 18 HA TYR 18 6.046 7.393 15.719 844 HD1 TYR 18 1HD TYR 18 2.774 6.091 13.476 845 HD2 TYR 18 2HD TYR 18 4.823 9.634 12.310 846 HE1 TYR 18 1HE TYR 18 1.803 5.904 11.226 847 HE2 TYR 18 2HE TYR 18 3.865 9.452 10.053 848 HH TYR 18 HH TYR 18 2.902 7.782 8.581 849 HB2 TYR 18 2HB TYR 18 3.677 7.724 15.148 850 HB3 TYR 18 1HB TYR 18 4.692 9.046 14.609 851 H PHE 19 H PHE 19 6.569 5.439 13.100 852 HA PHE 19 HA PHE 19 4.739 3.337 13.718 853 HD1 PHE 19 1HD PHE 19 3.927 1.910 11.481 854 HD2 PHE 19 2HD PHE 19 6.602 5.071 10.501 855 HE1 PHE 19 1HE PHE 19 2.459 2.568 9.621 856 HE2 PHE 19 2HE PHE 19 5.137 5.739 8.642 857 HZ PHE 19 HZ PHE 19 3.063 4.487 8.199 858 HB2 PHE 19 2HB PHE 19 7.249 3.423 12.048 859 HB3 PHE 19 1HB PHE 19 6.303 1.954 12.265 860 H GLN 20 H GLN 20 7.788 4.349 14.973 861 HA GLN 20 HA GLN 20 8.427 1.846 16.225 862 HB2 GLN 20 2HB GLN 20 9.452 4.643 16.733 863 HB3 GLN 20 1HB GLN 20 10.090 3.198 17.502 864 HG2 GLN 20 2HG GLN 20 10.745 2.328 15.306 865 HG3 GLN 20 1HG GLN 20 10.125 3.797 14.551 866 HE21 GLN 20 2HE2 GLN 20 13.422 4.937 14.736 867 HE22 GLN 20 1HE2 GLN 20 12.162 4.323 13.719 868 H GLY 21 H GLY 21 7.113 4.956 17.333 869 HA2 GLY 21 2HA GLY 21 6.301 3.755 19.861 870 HA3 GLY 21 1HA GLY 21 6.126 5.447 19.409 871 H MET 22 H MET 22 5.035 2.346 18.069 872 HA MET 22 HA MET 22 2.380 3.556 17.687 873 HB2 MET 22 2HB MET 22 3.482 2.918 15.604 874 HB3 MET 22 1HB MET 22 3.737 1.289 16.214 875 HG2 MET 22 2HG MET 22 1.905 1.353 14.633 876 HG3 MET 22 1HG MET 22 1.330 0.914 16.240 877 HE1 MET 22 3HE MET 22 0.724 5.057 14.295 878 HE2 MET 22 1HE MET 22 1.495 3.692 13.486 879 HE3 MET 22 2HE MET 22 2.299 4.481 14.843 880 H THR 23 H THR 23 0.565 2.490 18.400 881 HA THR 23 HA THR 23 0.784 -0.225 19.375 882 HB THR 23 HB THR 23 1.288 0.854 21.416 883 HG1 THR 23 1HG THR 23 -0.346 -0.784 21.554 884 HG21 THR 23 3HG2 THR 23 0.617 3.135 20.850 885 HG22 THR 23 1HG2 THR 23 -0.062 2.649 22.406 886 HG23 THR 23 2HG2 THR 23 -1.080 2.673 20.965 887 H ASP 24 H ASP 24 -0.703 -1.171 18.249 888 HA ASP 24 HA ASP 24 -2.628 -1.658 17.129 889 HB2 ASP 24 2HB ASP 24 -3.420 -1.052 19.610 890 HB3 ASP 24 1HB ASP 24 -4.208 0.277 18.767 891 H THR 25 H THR 25 -4.790 -0.207 16.275 892 HA THR 25 HA THR 25 -5.605 1.530 15.048 893 HB THR 25 HB THR 25 -3.116 3.025 15.906 894 HG1 THR 25 1HG THR 25 -5.415 2.316 17.214 895 HG21 THR 25 3HG2 THR 25 -5.741 4.036 14.800 896 HG22 THR 25 1HG2 THR 25 -4.185 4.064 13.970 897 HG23 THR 25 2HG2 THR 25 -4.433 5.045 15.414 898 H ALA 26 H ALA 26 -2.146 0.941 14.515 899 HA ALA 26 HA ALA 26 -1.930 2.092 11.990 900 HB1 ALA 26 3HB ALA 26 -0.454 -0.319 13.041 901 HB2 ALA 26 1HB ALA 26 -0.011 1.365 13.331 902 HB3 ALA 26 2HB ALA 26 0.042 0.709 11.696 903 H ALA 27 H ALA 27 -2.837 -1.235 12.862 904 HA ALA 27 HA ALA 27 -2.881 -2.226 10.217 905 HB1 ALA 27 3HB ALA 27 -2.770 -3.694 12.168 906 HB2 ALA 27 1HB ALA 27 -4.128 -4.114 11.124 907 HB3 ALA 27 2HB ALA 27 -4.409 -3.225 12.621 908 H GLU 28 H GLU 28 -5.162 -0.441 12.100 909 HA GLU 28 HA GLU 28 -7.552 -1.058 10.816 910 HB2 GLU 28 2HB GLU 28 -6.668 1.521 12.128 911 HB3 GLU 28 1HB GLU 28 -8.325 1.157 11.685 912 HG2 GLU 28 2HG GLU 28 -8.212 -0.834 13.191 913 HG3 GLU 28 1HG GLU 28 -6.633 -0.258 13.724 914 H ASP 29 H ASP 29 -5.243 1.576 10.106 915 HA ASP 29 HA ASP 29 -6.730 2.225 7.689 916 HB2 ASP 29 2HB ASP 29 -4.505 3.557 9.169 917 HB3 ASP 29 1HB ASP 29 -4.760 3.946 7.470 918 H VAL 30 H VAL 30 -3.820 0.506 8.563 919 HA VAL 30 HA VAL 30 -2.596 0.468 6.032 920 HB VAL 30 HB VAL 30 -2.568 -1.588 8.249 921 HG11 VAL 30 1HG1 VAL 30 -2.221 -2.778 6.146 922 HG12 VAL 30 2HG1 VAL 30 -0.715 -2.685 7.058 923 HG13 VAL 30 3HG1 VAL 30 -0.975 -1.617 5.680 924 HG21 VAL 30 3HG2 VAL 30 -0.274 -0.793 8.558 925 HG22 VAL 30 1HG2 VAL 30 -1.435 0.528 8.703 926 HG23 VAL 30 2HG2 VAL 30 -0.488 0.344 7.226 927 H ARG 31 H ARG 31 -5.201 -1.481 7.398 928 HA ARG 31 HA ARG 31 -5.459 -3.275 5.259 929 HE ARG 31 HE ARG 31 -6.551 -6.883 7.958 930 HB2 ARG 31 2HB ARG 31 -7.205 -2.435 7.502 931 HB3 ARG 31 1HB ARG 31 -7.990 -3.213 6.132 932 HG2 ARG 31 2HG ARG 31 -6.315 -5.070 6.355 933 HG3 ARG 31 1HG ARG 31 -5.800 -4.322 7.867 934 HD2 ARG 31 2HD ARG 31 -7.874 -4.715 8.893 935 HD3 ARG 31 1HD ARG 31 -8.668 -5.038 7.351 936 HH11 ARG 31 1HH1 ARG 31 -9.926 -6.181 8.547 937 HH12 ARG 31 2HH1 ARG 31 -10.378 -7.849 8.738 938 HH21 ARG 31 2HH2 ARG 31 -8.793 -9.497 8.491 939 HH22 ARG 31 1HH2 ARG 31 -7.138 -9.076 8.174 940 H LYS 32 H LYS 32 -6.546 0.037 5.594 941 HA LYS 32 HA LYS 32 -8.461 0.120 3.561 942 HB2 LYS 32 2HB LYS 32 -6.652 2.108 4.809 943 HB3 LYS 32 1HB LYS 32 -7.262 2.526 3.220 944 HG2 LYS 32 2HG LYS 32 -8.808 3.504 4.601 945 HG3 LYS 32 1HG LYS 32 -9.579 1.958 4.249 946 HD2 LYS 32 2HD LYS 32 -8.977 1.073 6.357 947 HD3 LYS 32 1HD LYS 32 -7.858 2.400 6.676 948 HE2 LYS 32 2HE LYS 32 -10.858 2.620 6.460 949 HE3 LYS 32 1HE LYS 32 -9.927 2.650 7.956 950 HZ1 LYS 32 3HZ LYS 32 -8.771 4.656 7.024 951 HZ2 LYS 32 1HZ LYS 32 -10.414 4.876 7.392 952 HZ3 LYS 32 2HZ LYS 32 -9.939 4.670 5.785 953 H ILE 33 H ILE 33 -4.956 0.775 3.292 954 HA ILE 33 HA ILE 33 -5.104 0.940 0.438 955 HB ILE 33 HB ILE 33 -2.647 1.034 0.473 956 HG12 ILE 33 2HG1 ILE 33 -2.906 0.741 3.475 957 HG13 ILE 33 1HG1 ILE 33 -2.300 -0.507 2.395 958 HG21 ILE 33 1HG2 ILE 33 -3.978 2.818 2.505 959 HG22 ILE 33 2HG2 ILE 33 -3.934 3.070 0.759 960 HG23 ILE 33 3HG2 ILE 33 -2.442 3.142 1.698 961 HD11 ILE 33 3HD1 ILE 33 -0.467 1.013 1.737 962 HD12 ILE 33 1HD1 ILE 33 -0.457 0.596 3.452 963 HD13 ILE 33 2HD1 ILE 33 -1.048 2.174 2.931 964 H ALA 34 H ALA 34 -4.283 -1.548 2.760 965 HA ALA 34 HA ALA 34 -3.079 -3.380 0.998 966 HB1 ALA 34 3HB ALA 34 -4.611 -3.946 3.537 967 HB2 ALA 34 1HB ALA 34 -2.895 -3.554 3.429 968 HB3 ALA 34 2HB ALA 34 -3.503 -5.052 2.724 969 H THR 35 H THR 35 -6.471 -2.896 1.922 970 HA THR 35 HA THR 35 -7.385 -5.160 0.429 971 HB THR 35 HB THR 35 -8.997 -2.778 1.370 972 HG1 THR 35 1HG THR 35 -8.137 -3.622 3.194 973 HG21 THR 35 3HG2 THR 35 -10.877 -4.341 1.345 974 HG22 THR 35 1HG2 THR 35 -9.821 -5.616 0.740 975 HG23 THR 35 2HG2 THR 35 -10.157 -4.201 -0.259 976 H ALA 36 H ALA 36 -6.993 -1.730 -0.197 977 HA ALA 36 HA ALA 36 -8.449 -1.515 -2.573 978 HB1 ALA 36 3HB ALA 36 -5.947 -0.025 -1.791 979 HB2 ALA 36 1HB ALA 36 -7.591 0.408 -1.324 980 HB3 ALA 36 2HB ALA 36 -7.112 0.465 -3.021 981 H LEU 37 H LEU 37 -4.979 -2.224 -2.109 982 HA LEU 37 HA LEU 37 -4.476 -2.467 -4.894 983 HG LEU 37 HG LEU 37 -3.457 -3.188 -1.421 984 HB2 LEU 37 2HB LEU 37 -2.282 -3.383 -4.170 985 HB3 LEU 37 1HB LEU 37 -2.674 -1.817 -3.497 986 HD11 LEU 37 1HD1 LEU 37 -3.298 -5.394 -2.461 987 HD12 LEU 37 2HD1 LEU 37 -2.207 -5.255 -1.082 988 HD13 LEU 37 3HD1 LEU 37 -1.570 -5.149 -2.722 989 HD21 LEU 37 3HD2 LEU 37 -1.576 -1.639 -1.457 990 HD22 LEU 37 1HD2 LEU 37 -0.544 -2.896 -2.140 991 HD23 LEU 37 2HD2 LEU 37 -1.193 -3.076 -0.510 992 H LEU 38 H LEU 38 -5.646 -4.632 -2.495 993 HA LEU 38 HA LEU 38 -4.930 -7.045 -3.874 994 HG LEU 38 HG LEU 38 -5.467 -9.099 -2.618 995 HB2 LEU 38 2HB LEU 38 -5.295 -6.812 -1.381 996 HB3 LEU 38 1HB LEU 38 -7.007 -6.682 -1.712 997 HD11 LEU 38 1HD1 LEU 38 -4.988 -8.816 -0.238 998 HD12 LEU 38 2HD1 LEU 38 -6.061 -10.187 -0.514 999 HD13 LEU 38 3HD1 LEU 38 -6.714 -8.668 0.096 1000 HD21 LEU 38 3HD2 LEU 38 -7.732 -8.803 -3.480 1001 HD22 LEU 38 1HD2 LEU 38 -8.346 -8.645 -1.834 1002 HD23 LEU 38 2HD2 LEU 38 -7.654 -10.175 -2.372 1003 H LYS 39 H LYS 39 -7.712 -4.914 -3.742 1004 HA LYS 39 HA LYS 39 -9.410 -6.787 -5.129 1005 HB2 LYS 39 2HB LYS 39 -9.868 -3.943 -4.228 1006 HB3 LYS 39 1HB LYS 39 -11.084 -4.960 -4.974 1007 HG2 LYS 39 2HG LYS 39 -10.769 -6.572 -3.092 1008 HG3 LYS 39 1HG LYS 39 -9.741 -5.367 -2.323 1009 HD2 LYS 39 2HD LYS 39 -12.009 -5.258 -1.443 1010 HD3 LYS 39 1HD LYS 39 -11.605 -3.782 -2.320 1011 HE2 LYS 39 2HE LYS 39 -12.888 -4.463 -4.212 1012 HE3 LYS 39 1HE LYS 39 -13.114 -6.081 -3.549 1013 HZ1 LYS 39 3HZ LYS 39 -14.172 -3.602 -2.299 1014 HZ2 LYS 39 1HZ LYS 39 -14.486 -5.199 -1.820 1015 HZ3 LYS 39 2HZ LYS 39 -15.075 -4.626 -3.308 1016 H THR 40 H THR 40 -7.814 -3.697 -5.793 1017 HA THR 40 HA THR 40 -7.875 -4.199 -8.612 1018 HB THR 40 HB THR 40 -9.313 -1.699 -7.729 1019 HG1 THR 40 1HG THR 40 -10.288 -4.310 -8.001 1020 HG21 THR 40 3HG2 THR 40 -10.152 -1.740 -10.036 1021 HG22 THR 40 1HG2 THR 40 -9.250 -3.226 -10.333 1022 HG23 THR 40 2HG2 THR 40 -8.388 -1.725 -9.993 1023 H ALA 41 H ALA 41 -5.643 -4.010 -8.272 1024 HA ALA 41 HA ALA 41 -4.758 -1.198 -8.196 1025 HB1 ALA 41 3HB ALA 41 -3.880 -2.481 -6.290 1026 HB2 ALA 41 1HB ALA 41 -2.592 -1.961 -7.380 1027 HB3 ALA 41 2HB ALA 41 -3.153 -3.632 -7.411 1028 H ILE 42 H ILE 42 -4.725 -4.261 -9.774 1029 HA ILE 42 HA ILE 42 -2.938 -3.283 -11.874 1030 HB ILE 42 HB ILE 42 -3.229 -5.850 -12.525 1031 HG12 ILE 42 2HG1 ILE 42 -3.130 -7.221 -10.429 1032 HG13 ILE 42 1HG1 ILE 42 -3.603 -5.786 -9.524 1033 HG21 ILE 42 1HG2 ILE 42 -1.354 -4.793 -10.422 1034 HG22 ILE 42 2HG2 ILE 42 -1.124 -4.707 -12.168 1035 HG23 ILE 42 3HG2 ILE 42 -1.114 -6.272 -11.356 1036 HD11 ILE 42 3HD1 ILE 42 -5.245 -7.148 -11.650 1037 HD12 ILE 42 1HD1 ILE 42 -5.721 -5.723 -10.725 1038 HD13 ILE 42 2HD1 ILE 42 -5.490 -7.268 -9.907 1039 H GLU 43 H GLU 43 -3.579 -4.445 -14.113 1040 HA GLU 43 HA GLU 43 -6.367 -3.588 -14.487 1041 HB2 GLU 43 2HB GLU 43 -5.818 -2.880 -16.703 1042 HB3 GLU 43 1HB GLU 43 -4.625 -2.199 -15.612 1043 HG2 GLU 43 2HG GLU 43 -4.120 -4.725 -17.146 1044 HG3 GLU 43 1HG GLU 43 -3.811 -3.133 -17.831 1045 H ILE 44 H ILE 44 -7.765 -4.754 -15.720 1046 HA ILE 44 HA ILE 44 -6.827 -7.378 -16.652 1047 HB ILE 44 HB ILE 44 -8.520 -7.638 -14.937 1048 HG12 ILE 44 2HG1 ILE 44 -8.546 -9.048 -17.117 1049 HG13 ILE 44 1HG1 ILE 44 -9.891 -9.179 -15.994 1050 HG21 ILE 44 1HG2 ILE 44 -10.303 -5.913 -16.639 1051 HG22 ILE 44 2HG2 ILE 44 -9.606 -5.484 -15.077 1052 HG23 ILE 44 3HG2 ILE 44 -10.796 -6.782 -15.186 1053 HD11 ILE 44 3HD1 ILE 44 -10.660 -9.100 -18.293 1054 HD12 ILE 44 1HD1 ILE 44 -9.859 -7.545 -18.521 1055 HD13 ILE 44 2HD1 ILE 44 -11.212 -7.683 -17.397 1056 H VAL 45 H VAL 45 -6.646 -7.567 -18.767 1057 HA VAL 45 HA VAL 45 -8.031 -5.619 -20.456 1058 HB VAL 45 HB VAL 45 -6.450 -6.372 -22.250 1059 HG11 VAL 45 1HG1 VAL 45 -6.043 -4.350 -20.942 1060 HG12 VAL 45 2HG1 VAL 45 -4.530 -5.152 -21.361 1061 HG13 VAL 45 3HG1 VAL 45 -5.184 -5.303 -19.731 1062 HG21 VAL 45 3HG2 VAL 45 -4.440 -7.605 -21.600 1063 HG22 VAL 45 1HG2 VAL 45 -5.892 -8.577 -21.358 1064 HG23 VAL 45 2HG2 VAL 45 -5.097 -7.823 -19.977 1065 H SER 46 H SER 46 -9.744 -6.222 -21.545 1066 HA SER 46 HA SER 46 -10.536 -8.992 -21.625 1067 HG SER 46 HG SER 46 -11.615 -6.078 -23.622 1068 HB2 SER 46 2HB SER 46 -12.519 -7.988 -22.899 1069 HB3 SER 46 1HB SER 46 -12.298 -7.448 -21.233 1070 H GLU 47 H GLU 47 -10.952 -10.191 -23.542 1071 HA GLU 47 HA GLU 47 -9.091 -9.748 -25.669 1072 HB2 GLU 47 2HB GLU 47 -11.455 -11.634 -25.575 1073 HB3 GLU 47 1HB GLU 47 -10.096 -11.722 -26.688 1074 HG2 GLU 47 2HG GLU 47 -8.590 -12.133 -24.795 1075 HG3 GLU 47 1HG GLU 47 -9.968 -12.079 -23.699 1076 H GLU 48 H GLU 48 -10.099 -9.955 -28.036 1077 HA GLU 48 HA GLU 48 -11.314 -7.578 -28.719 1078 HB2 GLU 48 2HB GLU 48 -10.242 -9.270 -30.271 1079 HB3 GLU 48 1HB GLU 48 -11.757 -10.163 -30.213 1080 HG2 GLU 48 2HG GLU 48 -11.650 -8.820 -32.211 1081 HG3 GLU 48 1HG GLU 48 -12.924 -8.221 -31.150 1082 H ASP 49 H ASP 49 -12.889 -10.722 -28.402 1083 HA ASP 49 HA ASP 49 -14.887 -9.722 -26.701 1084 HB2 ASP 49 2HB ASP 49 -15.873 -8.808 -28.746 1085 HB3 ASP 49 1HB ASP 49 -15.854 -10.409 -29.482 1086 H GLY 50 H GLY 50 -14.842 -11.330 -25.359 1087 HA2 GLY 50 2HA GLY 50 -15.910 -13.824 -25.720 1088 HA3 GLY 50 1HA GLY 50 -14.222 -14.013 -26.170 1089 H GLY 51 H GLY 51 -12.590 -13.454 -24.554 1090 HA2 GLY 51 2HA GLY 51 -13.651 -13.881 -21.838 1091 HA3 GLY 51 1HA GLY 51 -12.129 -14.542 -22.413 1092 H ALA 52 H ALA 52 -11.209 -13.566 -20.561 1093 HA ALA 52 HA ALA 52 -10.434 -10.781 -20.960 1094 HB1 ALA 52 3HB ALA 52 -11.644 -11.800 -18.388 1095 HB2 ALA 52 1HB ALA 52 -12.405 -10.681 -19.517 1096 HB3 ALA 52 2HB ALA 52 -10.952 -10.199 -18.644 1097 H HIS 53 H HIS 53 -8.491 -10.220 -19.815 1098 HA HIS 53 HA HIS 53 -7.049 -12.494 -18.626 1099 HD1 HIS 53 1HD HIS 53 -5.413 -14.299 -20.297 1100 HD2 HIS 53 2HD HIS 53 -7.303 -11.653 -22.885 1101 HE1 HIS 53 1HE HIS 53 -6.159 -15.684 -22.252 1102 HE2 HIS 53 2HE HIS 53 -7.468 -14.101 -23.716 1103 HB2 HIS 53 2HB HIS 53 -5.963 -10.600 -20.724 1104 HB3 HIS 53 1HB HIS 53 -4.983 -11.742 -19.812 1105 H ASN 54 H ASN 54 -6.659 -11.917 -16.591 1106 HA ASN 54 HA ASN 54 -6.142 -9.079 -16.001 1107 HB2 ASN 54 2HB ASN 54 -8.012 -10.424 -14.837 1108 HB3 ASN 54 1HB ASN 54 -6.713 -11.229 -13.968 1109 HD21 ASN 54 2HD2 ASN 54 -5.844 -7.754 -12.679 1110 HD22 ASN 54 1HD2 ASN 54 -5.083 -8.733 -13.879 1111 H GLN 55 H GLN 55 -4.072 -8.535 -15.772 1112 HA GLN 55 HA GLN 55 -2.166 -10.643 -14.987 1113 HB2 GLN 55 2HB GLN 55 -1.925 -8.317 -16.858 1114 HB3 GLN 55 1HB GLN 55 -0.490 -8.931 -16.057 1115 HG2 GLN 55 2HG GLN 55 -0.636 -9.921 -18.213 1116 HG3 GLN 55 1HG GLN 55 -0.968 -11.164 -17.011 1117 HE21 GLN 55 2HE2 GLN 55 -3.764 -10.072 -19.737 1118 HE22 GLN 55 1HE2 GLN 55 -2.301 -9.180 -19.532 1119 H CYS 56 H CYS 56 -0.345 -10.010 -13.672 1120 HA CYS 56 HA CYS 56 -0.839 -7.587 -12.074 1121 HG CYS 56 HG CYS 56 -2.801 -9.237 -11.291 1122 HB2 CYS 56 2HB CYS 56 0.317 -10.218 -11.127 1123 HB3 CYS 56 1HB CYS 56 0.130 -8.770 -10.142 1124 H LYS 57 H LYS 57 0.611 -6.148 -12.767 1125 HA LYS 57 HA LYS 57 3.141 -6.975 -13.877 1126 HB2 LYS 57 2HB LYS 57 1.822 -4.288 -13.525 1127 HB3 LYS 57 1HB LYS 57 3.426 -4.485 -14.215 1128 HG2 LYS 57 2HG LYS 57 2.537 -5.764 -16.044 1129 HG3 LYS 57 1HG LYS 57 0.926 -5.735 -15.322 1130 HD2 LYS 57 2HD LYS 57 1.232 -4.081 -17.156 1131 HD3 LYS 57 1HD LYS 57 0.771 -3.360 -15.615 1132 HE2 LYS 57 2HE LYS 57 2.524 -2.068 -16.735 1133 HE3 LYS 57 1HE LYS 57 3.074 -2.718 -15.192 1134 HZ1 LYS 57 3HZ LYS 57 4.318 -4.390 -16.306 1135 HZ2 LYS 57 1HZ LYS 57 4.694 -2.919 -17.058 1136 HZ3 LYS 57 2HZ LYS 57 3.635 -4.005 -17.807 1137 H LEU 58 H LEU 58 3.556 -7.852 -11.530 1138 HA LEU 58 HA LEU 58 5.579 -6.137 -10.436 1139 HG LEU 58 HG LEU 58 5.774 -5.803 -7.861 1140 HB2 LEU 58 2HB LEU 58 3.214 -5.528 -9.407 1141 HB3 LEU 58 1HB LEU 58 3.528 -6.943 -8.420 1142 HD11 LEU 58 1HD1 LEU 58 4.210 -3.464 -8.939 1143 HD12 LEU 58 2HD1 LEU 58 5.748 -4.085 -9.542 1144 HD13 LEU 58 3HD1 LEU 58 5.665 -3.331 -7.947 1145 HD21 LEU 58 3HD2 LEU 58 3.170 -4.660 -6.865 1146 HD22 LEU 58 1HD2 LEU 58 4.731 -4.524 -6.054 1147 HD23 LEU 58 2HD2 LEU 58 3.977 -6.105 -6.257 1148 H CYS 59 H CYS 59 3.507 -8.828 -9.342 1149 HA CYS 59 HA CYS 59 5.854 -10.135 -8.227 1150 HG CYS 59 HG CYS 59 1.494 -11.482 -7.804 1151 HB2 CYS 59 2HB CYS 59 4.003 -11.713 -7.337 1152 HB3 CYS 59 1HB CYS 59 4.113 -10.080 -6.680 1153 H GLY 60 H GLY 60 4.856 -10.102 -11.203 1154 HA2 GLY 60 2HA GLY 60 5.021 -11.534 -12.989 1155 HA3 GLY 60 1HA GLY 60 6.032 -12.526 -11.947 1156 H ALA 61 H ALA 61 2.579 -11.666 -12.108 1157 HA ALA 61 HA ALA 61 1.909 -14.501 -12.262 1158 HB1 ALA 61 3HB ALA 61 0.748 -12.695 -10.139 1159 HB2 ALA 61 1HB ALA 61 1.947 -13.957 -9.857 1160 HB3 ALA 61 2HB ALA 61 0.334 -14.385 -10.425 1161 H SER 62 H SER 62 -0.134 -14.908 -13.137 1162 HA SER 62 HA SER 62 -1.791 -12.622 -13.892 1163 HG SER 62 HG SER 62 0.400 -12.570 -15.064 1164 HB2 SER 62 2HB SER 62 -0.855 -14.716 -15.874 1165 HB3 SER 62 1HB SER 62 -1.942 -13.369 -16.218 1166 H VAL 63 H VAL 63 -3.978 -13.222 -14.388 1167 HA VAL 63 HA VAL 63 -4.680 -15.997 -13.721 1168 HB VAL 63 HB VAL 63 -5.014 -14.587 -11.703 1169 HG11 VAL 63 1HG1 VAL 63 -7.009 -13.107 -13.402 1170 HG12 VAL 63 2HG1 VAL 63 -5.514 -12.464 -12.719 1171 HG13 VAL 63 3HG1 VAL 63 -6.836 -12.944 -11.654 1172 HG21 VAL 63 3HG2 VAL 63 -7.565 -15.614 -12.933 1173 HG22 VAL 63 1HG2 VAL 63 -7.321 -15.248 -11.225 1174 HG23 VAL 63 2HG2 VAL 63 -6.399 -16.543 -11.986 1175 HA PRO 64 HA PRO 64 -7.024 -15.684 -17.463 1176 HB2 PRO 64 1HB PRO 64 -7.081 -17.968 -17.508 1177 HB3 PRO 64 2HB PRO 64 -8.773 -17.732 -17.055 1178 HG2 PRO 64 2HG PRO 64 -8.353 -18.121 -14.803 1179 HG3 PRO 64 1HG PRO 64 -7.160 -19.204 -15.543 1180 HD2 PRO 64 2HD PRO 64 -6.444 -17.324 -13.757 1181 HD3 PRO 64 1HD PRO 64 -5.400 -17.761 -15.126 1182 H TRP 65 H TRP 65 -8.210 -14.833 -14.494 1183 HA TRP 65 HA TRP 65 -9.938 -13.565 -13.785 1184 HD1 TRP 65 HD TRP 65 -12.903 -13.512 -17.196 1185 HE1 TRP 65 1HE TRP 65 -14.942 -12.121 -16.469 1186 HE3 TRP 65 3HE TRP 65 -10.692 -10.722 -13.538 1187 HZ2 TRP 65 2HZ TRP 65 -15.527 -10.105 -14.583 1188 HZ3 TRP 65 3HZ TRP 65 -12.062 -9.080 -12.317 1189 HH2 TRP 65 HH TRP 65 -14.429 -8.779 -12.831 1190 HB2 TRP 65 2HB TRP 65 -9.792 -12.130 -15.639 1191 HB3 TRP 65 1HB TRP 65 -10.355 -13.361 -16.760 1192 H LEU 66 H LEU 66 -12.066 -13.816 -13.099 1193 HA LEU 66 HA LEU 66 -14.110 -14.765 -12.778 1194 HG LEU 66 HG LEU 66 -15.213 -17.498 -13.743 1195 HB2 LEU 66 2HB LEU 66 -14.392 -14.977 -15.183 1196 HB3 LEU 66 1HB LEU 66 -13.447 -16.453 -15.187 1197 HD11 LEU 66 1HD1 LEU 66 -16.184 -15.452 -12.841 1198 HD12 LEU 66 2HD1 LEU 66 -17.404 -16.429 -13.657 1199 HD13 LEU 66 3HD1 LEU 66 -16.743 -14.999 -14.451 1200 HD21 LEU 66 3HD2 LEU 66 -15.118 -17.929 -16.125 1201 HD22 LEU 66 1HD2 LEU 66 -16.046 -16.464 -16.450 1202 HD23 LEU 66 2HD2 LEU 66 -16.796 -17.812 -15.596 1203 H GLN 67 H GLN 67 -11.595 -17.151 -13.594 1204 HA GLN 67 HA GLN 67 -12.572 -19.245 -12.007 1205 HB2 GLN 67 2HB GLN 67 -10.599 -19.131 -13.760 1206 HB3 GLN 67 1HB GLN 67 -9.621 -18.838 -12.331 1207 HG2 GLN 67 2HG GLN 67 -11.474 -21.186 -12.531 1208 HG3 GLN 67 1HG GLN 67 -9.832 -21.234 -13.162 1209 HE21 GLN 67 2HE2 GLN 67 -8.610 -20.638 -9.672 1210 HE22 GLN 67 1HE2 GLN 67 -8.605 -19.687 -11.124 1211 H THR 68 H THR 68 -10.286 -16.647 -11.245 1212 HA THR 68 HA THR 68 -11.226 -16.538 -8.553 1213 HB THR 68 HB THR 68 -9.652 -18.386 -8.241 1214 HG1 THR 68 1HG THR 68 -9.388 -17.344 -6.407 1215 HG21 THR 68 3HG2 THR 68 -7.571 -16.502 -9.359 1216 HG22 THR 68 1HG2 THR 68 -8.162 -17.975 -10.131 1217 HG23 THR 68 2HG2 THR 68 -7.245 -18.073 -8.628 1218 H GLY 69 H GLY 69 -10.267 -14.719 -7.382 1219 HA2 GLY 69 2HA GLY 69 -9.012 -12.772 -9.216 1220 HA3 GLY 69 1HA GLY 69 -10.180 -12.316 -7.982 1221 H ASP 70 H ASP 70 -8.156 -14.789 -6.957 1222 HA ASP 70 HA ASP 70 -6.159 -12.960 -5.864 1223 HB2 ASP 70 2HB ASP 70 -8.026 -13.281 -4.182 1224 HB3 ASP 70 1HB ASP 70 -7.575 -14.982 -4.112 1225 H GLU 71 H GLU 71 -5.457 -15.437 -4.105 1226 HA GLU 71 HA GLU 71 -3.704 -16.801 -4.093 1227 HB2 GLU 71 2HB GLU 71 -3.851 -18.733 -5.332 1228 HB3 GLU 71 1HB GLU 71 -5.505 -18.179 -5.270 1229 HG2 GLU 71 2HG GLU 71 -5.483 -17.513 -7.517 1230 HG3 GLU 71 1HG GLU 71 -3.724 -17.604 -7.611 1231 H ILE 72 H ILE 72 -3.623 -14.232 -5.766 1232 HA ILE 72 HA ILE 72 -1.316 -14.666 -7.426 1233 HB ILE 72 HB ILE 72 -2.407 -12.057 -6.338 1234 HG12 ILE 72 2HG1 ILE 72 -4.096 -13.214 -7.675 1235 HG13 ILE 72 1HG1 ILE 72 -3.492 -11.805 -8.538 1236 HG21 ILE 72 1HG2 ILE 72 -0.539 -12.586 -8.645 1237 HG22 ILE 72 2HG2 ILE 72 -0.092 -11.898 -7.084 1238 HG23 ILE 72 3HG2 ILE 72 -1.171 -11.011 -8.162 1239 HD11 ILE 72 3HD1 ILE 72 -2.089 -13.238 -9.916 1240 HD12 ILE 72 1HD1 ILE 72 -3.783 -13.715 -10.020 1241 HD13 ILE 72 2HD1 ILE 72 -2.660 -14.654 -9.036 1242 H LYS 73 H LYS 73 0.043 -15.738 -6.017 1243 HA LYS 73 HA LYS 73 1.331 -14.100 -3.946 1244 HB2 LYS 73 2HB LYS 73 -0.496 -16.116 -3.398 1245 HB3 LYS 73 1HB LYS 73 1.047 -16.940 -3.266 1246 HG2 LYS 73 2HG LYS 73 0.526 -14.369 -1.823 1247 HG3 LYS 73 1HG LYS 73 0.019 -15.922 -1.159 1248 HD2 LYS 73 2HD LYS 73 2.435 -16.664 -1.479 1249 HD3 LYS 73 1HD LYS 73 2.805 -14.959 -1.746 1250 HE2 LYS 73 2HE LYS 73 1.959 -14.383 0.432 1251 HE3 LYS 73 1HE LYS 73 1.408 -16.035 0.697 1252 HZ1 LYS 73 3HZ LYS 73 4.148 -14.958 0.749 1253 HZ2 LYS 73 1HZ LYS 73 3.900 -16.591 0.341 1254 HZ3 LYS 73 2HZ LYS 73 3.370 -15.997 1.836 1255 H HIS 74 H HIS 74 2.075 -14.779 -6.644 1256 HA HIS 74 HA HIS 74 3.810 -17.051 -6.648 1257 HD1 HIS 74 1HD HIS 74 4.798 -15.803 -10.936 1258 HD2 HIS 74 2HD HIS 74 4.187 -18.743 -8.058 1259 HE1 HIS 74 1HE HIS 74 5.803 -17.906 -11.888 1260 HE2 HIS 74 2HE HIS 74 5.251 -19.705 -10.204 1261 HB2 HIS 74 2HB HIS 74 2.525 -15.895 -8.621 1262 HB3 HIS 74 1HB HIS 74 3.963 -14.885 -8.713 1263 H ALA 75 H ALA 75 4.130 -14.090 -5.300 1264 HA ALA 75 HA ALA 75 6.965 -14.503 -4.892 1265 HB1 ALA 75 3HB ALA 75 5.928 -11.849 -5.900 1266 HB2 ALA 75 1HB ALA 75 6.906 -12.985 -6.830 1267 HB3 ALA 75 2HB ALA 75 7.583 -12.204 -5.401 1268 H ASP 76 H ASP 76 7.682 -13.538 -2.921 1269 HA ASP 76 HA ASP 76 5.404 -12.885 -1.168 1270 HB2 ASP 76 2HB ASP 76 6.684 -14.968 -0.672 1271 HB3 ASP 76 1HB ASP 76 8.115 -13.985 -0.397 1272 H ASP 77 H ASP 77 8.315 -11.669 -2.478 1273 HA ASP 77 HA ASP 77 8.750 -9.751 -0.332 1274 HB2 ASP 77 2HB ASP 77 10.812 -9.225 -1.411 1275 HB3 ASP 77 1HB ASP 77 10.645 -10.975 -1.420 1276 H CYS 78 H CYS 78 6.896 -9.858 -3.081 1277 HA CYS 78 HA CYS 78 7.300 -7.169 -3.999 1278 HG CYS 78 HG CYS 78 8.089 -9.402 -5.472 1279 HB2 CYS 78 2HB CYS 78 5.072 -9.129 -4.579 1280 HB3 CYS 78 1HB CYS 78 5.324 -7.600 -5.419 1281 HA PRO 79 HA PRO 79 5.218 -4.878 -0.903 1282 HB2 PRO 79 1HB PRO 79 4.966 -2.749 -1.757 1283 HB3 PRO 79 2HB PRO 79 4.217 -3.324 -3.252 1284 HG2 PRO 79 2HG PRO 79 6.379 -2.862 -3.999 1285 HG3 PRO 79 1HG PRO 79 7.105 -3.329 -2.450 1286 HD2 PRO 79 2HD PRO 79 6.181 -5.044 -4.704 1287 HD3 PRO 79 1HD PRO 79 7.528 -5.288 -3.575 1288 H VAL 80 H VAL 80 3.261 -5.462 -3.835 1289 HA VAL 80 HA VAL 80 0.753 -5.085 -2.670 1290 HB VAL 80 HB VAL 80 1.546 -6.850 -4.993 1291 HG11 VAL 80 1HG1 VAL 80 -1.214 -6.045 -4.080 1292 HG12 VAL 80 2HG1 VAL 80 -0.547 -7.680 -4.109 1293 HG13 VAL 80 3HG1 VAL 80 -0.840 -6.819 -5.620 1294 HG21 VAL 80 3HG2 VAL 80 0.267 -4.119 -4.906 1295 HG22 VAL 80 1HG2 VAL 80 0.670 -5.033 -6.360 1296 HG23 VAL 80 2HG2 VAL 80 1.954 -4.453 -5.298 1297 H VAL 81 H VAL 81 2.727 -8.013 -2.925 1298 HA VAL 81 HA VAL 81 0.755 -9.683 -1.696 1299 HB VAL 81 HB VAL 81 3.689 -10.336 -1.897 1300 HG11 VAL 81 1HG1 VAL 81 2.911 -12.617 -2.000 1301 HG12 VAL 81 2HG1 VAL 81 1.232 -12.077 -2.058 1302 HG13 VAL 81 3HG1 VAL 81 2.186 -11.826 -0.599 1303 HG21 VAL 81 3HG2 VAL 81 1.603 -10.642 -4.061 1304 HG22 VAL 81 1HG2 VAL 81 3.251 -11.267 -4.121 1305 HG23 VAL 81 2HG2 VAL 81 2.969 -9.525 -4.092 1306 H ILE 82 H ILE 82 3.597 -7.898 -0.616 1307 HA ILE 82 HA ILE 82 3.895 -8.824 1.982 1308 HB ILE 82 HB ILE 82 4.142 -5.982 0.964 1309 HG12 ILE 82 2HG1 ILE 82 5.642 -7.768 -0.045 1310 HG13 ILE 82 1HG1 ILE 82 6.470 -6.404 0.705 1311 HG21 ILE 82 1HG2 ILE 82 5.485 -5.528 2.952 1312 HG22 ILE 82 2HG2 ILE 82 5.170 -7.159 3.544 1313 HG23 ILE 82 3HG2 ILE 82 3.844 -6.007 3.389 1314 HD11 ILE 82 3HD1 ILE 82 6.914 -7.750 2.678 1315 HD12 ILE 82 1HD1 ILE 82 7.545 -8.527 1.226 1316 HD13 ILE 82 2HD1 ILE 82 6.049 -9.110 1.961 1317 H ALA 83 H ALA 83 1.701 -6.341 0.734 1318 HA ALA 83 HA ALA 83 0.505 -5.589 3.141 1319 HB1 ALA 83 3HB ALA 83 -0.662 -5.618 0.360 1320 HB2 ALA 83 1HB ALA 83 0.237 -4.299 1.109 1321 HB3 ALA 83 2HB ALA 83 -1.346 -4.757 1.740 1322 H LYS 84 H LYS 84 -0.178 -8.264 0.959 1323 HA LYS 84 HA LYS 84 -2.618 -9.061 2.130 1324 HB2 LYS 84 2HB LYS 84 -0.573 -10.693 0.624 1325 HB3 LYS 84 1HB LYS 84 -2.176 -11.265 1.057 1326 HG2 LYS 84 2HG LYS 84 -3.111 -9.359 -0.272 1327 HG3 LYS 84 1HG LYS 84 -1.466 -9.045 -0.838 1328 HD2 LYS 84 2HD LYS 84 -1.337 -11.280 -1.776 1329 HD3 LYS 84 1HD LYS 84 -2.940 -11.658 -1.145 1330 HE2 LYS 84 2HE LYS 84 -3.828 -9.773 -2.542 1331 HE3 LYS 84 1HE LYS 84 -2.232 -9.655 -3.283 1332 HZ1 LYS 84 3HZ LYS 84 -4.124 -11.937 -3.393 1333 HZ2 LYS 84 1HZ LYS 84 -2.499 -12.064 -3.871 1334 HZ3 LYS 84 2HZ LYS 84 -3.536 -11.005 -4.683 1335 H GLN 85 H GLN 85 0.732 -10.086 2.704 1336 HA GLN 85 HA GLN 85 0.226 -11.980 4.691 1337 HB2 GLN 85 2HB GLN 85 2.566 -10.274 3.975 1338 HB3 GLN 85 1HB GLN 85 2.594 -11.126 5.505 1339 HG2 GLN 85 2HG GLN 85 3.697 -12.545 4.026 1340 HG3 GLN 85 1HG GLN 85 2.077 -13.228 4.154 1341 HE21 GLN 85 2HE2 GLN 85 3.473 -11.762 0.647 1342 HE22 GLN 85 1HE2 GLN 85 4.340 -11.566 2.123 1343 H ILE 86 H ILE 86 0.524 -8.494 4.855 1344 HA ILE 86 HA ILE 86 0.589 -8.317 7.690 1345 HB ILE 86 HB ILE 86 -0.116 -6.255 5.599 1346 HG12 ILE 86 2HG1 ILE 86 2.414 -6.705 7.205 1347 HG13 ILE 86 1HG1 ILE 86 2.201 -7.101 5.503 1348 HG21 ILE 86 1HG2 ILE 86 0.190 -4.582 7.345 1349 HG22 ILE 86 2HG2 ILE 86 0.438 -5.856 8.538 1350 HG23 ILE 86 3HG2 ILE 86 -1.128 -5.680 7.747 1351 HD11 ILE 86 3HD1 ILE 86 1.874 -4.723 5.007 1352 HD12 ILE 86 1HD1 ILE 86 3.439 -5.044 5.757 1353 HD13 ILE 86 2HD1 ILE 86 2.130 -4.345 6.712 1354 H LEU 87 H LEU 87 -2.031 -7.963 5.298 1355 HA LEU 87 HA LEU 87 -3.941 -7.180 7.266 1356 HG LEU 87 HG LEU 87 -3.399 -8.639 3.892 1357 HB2 LEU 87 2HB LEU 87 -5.598 -7.344 5.471 1358 HB3 LEU 87 1HB LEU 87 -4.191 -6.419 4.994 1359 HD11 LEU 87 1HD1 LEU 87 -6.365 -9.141 4.079 1360 HD12 LEU 87 2HD1 LEU 87 -5.096 -10.101 4.838 1361 HD13 LEU 87 3HD1 LEU 87 -5.227 -10.047 3.081 1362 HD21 LEU 87 3HD2 LEU 87 -4.572 -8.048 1.837 1363 HD22 LEU 87 1HD2 LEU 87 -3.988 -6.612 2.678 1364 HD23 LEU 87 2HD2 LEU 87 -5.695 -7.050 2.761 1365 H SER 88 H SER 88 -2.688 -10.196 6.417 1366 HA SER 88 HA SER 88 -5.052 -11.743 6.922 1367 HG SER 88 HG SER 88 -2.882 -11.887 4.660 1368 HB2 SER 88 2HB SER 88 -2.147 -12.532 6.616 1369 HB3 SER 88 1HB SER 88 -3.481 -13.671 6.761 1370 H SER 89 H SER 89 -4.956 -10.212 9.039 1371 HA SER 89 HA SER 89 -3.555 -11.358 11.252 1372 HG SER 89 HG SER 89 -3.451 -8.503 11.199 1373 HB2 SER 89 2HB SER 89 -6.019 -9.634 11.446 1374 HB3 SER 89 1HB SER 89 -4.646 -9.715 12.551 1375 H ARG 90 H ARG 90 -4.070 -13.342 12.011 1376 HA ARG 90 HA ARG 90 -6.738 -14.380 11.602 1377 HE ARG 90 HE ARG 90 -1.555 -16.883 14.017 1378 HB2 ARG 90 2HB ARG 90 -5.896 -16.483 12.492 1379 HB3 ARG 90 1HB ARG 90 -4.828 -15.871 11.241 1380 HG2 ARG 90 2HG ARG 90 -3.229 -15.153 12.885 1381 HG3 ARG 90 1HG ARG 90 -4.332 -15.580 14.197 1382 HD2 ARG 90 2HD ARG 90 -4.256 -17.933 13.453 1383 HD3 ARG 90 1HD ARG 90 -3.096 -17.482 12.206 1384 HH11 ARG 90 1HH1 ARG 90 -4.280 -18.947 14.780 1385 HH12 ARG 90 2HH1 ARG 90 -3.497 -19.707 16.137 1386 HH21 ARG 90 2HH2 ARG 90 -1.375 -19.065 16.747 1387 HH22 ARG 90 1HH2 ARG 90 -0.527 -17.865 15.818 1388 HA PRO 91 HA PRO 91 -8.481 -13.122 15.400 1389 HB2 PRO 91 1HB PRO 91 -10.548 -14.089 15.425 1390 HB3 PRO 91 2HB PRO 91 -9.884 -15.726 15.466 1391 HG2 PRO 91 2HG PRO 91 -10.647 -15.670 13.276 1392 HG3 PRO 91 1HG PRO 91 -10.355 -13.927 13.121 1393 HD2 PRO 91 2HD PRO 91 -8.410 -16.196 12.969 1394 HD3 PRO 91 1HD PRO 91 -8.500 -14.722 11.984 1395 H LYS 92 H LYS 92 -8.242 -13.331 17.558 1396 HA LYS 92 HA LYS 92 -6.323 -15.209 18.574 1397 HB2 LYS 92 2HB LYS 92 -8.074 -13.227 20.057 1398 HB3 LYS 92 1HB LYS 92 -6.676 -14.067 20.715 1399 HG2 LYS 92 2HG LYS 92 -5.196 -12.883 19.252 1400 HG3 LYS 92 1HG LYS 92 -6.556 -12.155 18.395 1401 HD2 LYS 92 2HD LYS 92 -5.605 -10.550 19.936 1402 HD3 LYS 92 1HD LYS 92 -7.219 -11.013 20.478 1403 HE2 LYS 92 2HE LYS 92 -6.199 -12.599 22.065 1404 HE3 LYS 92 1HE LYS 92 -4.601 -12.056 21.554 1405 HZ1 LYS 92 3HZ LYS 92 -5.236 -9.797 22.290 1406 HZ2 LYS 92 1HZ LYS 92 -5.210 -10.928 23.557 1407 HZ3 LYS 92 2HZ LYS 92 -6.688 -10.423 22.896 1408 H LEU 93 H LEU 93 -6.713 -17.028 19.751 1409 HA LEU 93 HA LEU 93 -9.487 -17.896 19.817 1410 HG LEU 93 HG LEU 93 -6.313 -20.763 19.779 1411 HB2 LEU 93 2HB LEU 93 -8.608 -20.155 20.290 1412 HB3 LEU 93 1HB LEU 93 -8.074 -19.486 18.770 1413 HD11 LEU 93 1HD1 LEU 93 -4.499 -19.137 19.857 1414 HD12 LEU 93 2HD1 LEU 93 -5.683 -17.832 19.929 1415 HD13 LEU 93 3HD1 LEU 93 -5.591 -18.860 18.500 1416 HD21 LEU 93 3HD2 LEU 93 -6.945 -20.664 22.103 1417 HD22 LEU 93 1HD2 LEU 93 -6.523 -18.953 22.168 1418 HD23 LEU 93 2HD2 LEU 93 -5.266 -20.160 21.904 1419 H HIS 94 H HIS 94 -10.386 -18.955 21.678 1420 HA HIS 94 HA HIS 94 -9.465 -17.644 24.139 1421 HD1 HIS 94 1HD HIS 94 -12.086 -15.830 25.397 1422 HD2 HIS 94 2HD HIS 94 -11.887 -19.855 26.415 1423 HE1 HIS 94 1HE HIS 94 -12.603 -15.931 27.855 1424 HE2 HIS 94 2HE HIS 94 -12.357 -18.364 28.480 1425 HB2 HIS 94 2HB HIS 94 -11.840 -17.305 23.398 1426 HB3 HIS 94 1HB HIS 94 -12.111 -19.028 23.628 1427 H ALA 95 H ALA 95 -8.067 -18.868 25.205 1428 HA ALA 95 HA ALA 95 -8.269 -21.765 25.120 1429 HB1 ALA 95 3HB ALA 95 -6.247 -20.026 26.526 1430 HB2 ALA 95 1HB ALA 95 -6.080 -20.663 24.890 1431 HB3 ALA 95 2HB ALA 95 -6.137 -21.768 26.264 1432 H VAL 96 H VAL 96 -9.461 -22.829 26.527 1433 HA VAL 96 HA VAL 96 -10.056 -21.600 29.113 1434 HB VAL 96 HB VAL 96 -12.043 -22.231 27.915 1435 HG11 VAL 96 1HG1 VAL 96 -11.125 -23.903 26.416 1436 HG12 VAL 96 2HG1 VAL 96 -12.526 -24.546 27.273 1437 HG13 VAL 96 3HG1 VAL 96 -10.900 -25.015 27.765 1438 HG21 VAL 96 3HG2 VAL 96 -11.473 -24.158 30.158 1439 HG22 VAL 96 1HG2 VAL 96 -13.075 -23.791 29.515 1440 HG23 VAL 96 2HG2 VAL 96 -12.131 -22.529 30.307
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