NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590225 | 2rue | 11561 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -0.073 21.413 9.401 2 H2 GLY 1 2H GLY 1 0.252 21.920 7.821 3 H3 GLY 1 3H GLY 1 0.804 20.414 8.355 4 HA2 GLY 1 HA3 GLY 1 -2.076 20.985 8.409 5 HA3 GLY 1 HA2 GLY 1 -1.315 20.574 6.879 6 HA PRO 2 HA PRO 2 -2.707 16.754 9.428 7 HB2 PRO 2 HB2 PRO 2 -3.887 16.199 6.749 8 HB3 PRO 2 HB3 PRO 2 -4.553 15.895 8.357 9 HG2 PRO 2 HG2 PRO 2 -5.452 17.916 6.876 10 HG3 PRO 2 HG3 PRO 2 -5.249 18.090 8.629 11 HD2 PRO 2 HD2 PRO 2 -3.548 19.133 6.409 12 HD3 PRO 2 HD3 PRO 2 -3.944 19.874 7.973 13 H LEU 3 H LEU 3 -2.139 16.606 5.907 14 HA LEU 3 HA LEU 3 -0.697 15.379 4.647 15 HB2 LEU 3 HB2 LEU 3 0.817 16.810 6.342 16 HB3 LEU 3 HB3 LEU 3 1.300 15.196 6.828 17 HG LEU 3 HG LEU 3 1.625 14.889 4.212 18 HD11 LEU 3 HD11 LEU 3 0.830 17.452 4.154 19 HD12 LEU 3 HD12 LEU 3 1.932 16.747 2.971 20 HD13 LEU 3 HD13 LEU 3 2.570 17.680 4.325 21 HD21 LEU 3 HD21 LEU 3 3.764 16.468 5.537 22 HD22 LEU 3 HD22 LEU 3 3.869 14.966 4.619 23 HD23 LEU 3 HD23 LEU 3 3.270 14.946 6.278 24 H GLY 4 H GLY 4 -2.580 13.982 6.417 25 HA2 GLY 4 HA2 GLY 4 -2.351 11.420 5.903 26 HA3 GLY 4 HA3 GLY 4 -1.104 11.554 7.133 27 H SER 5 H SER 5 -2.679 13.623 8.581 28 HA SER 5 HA SER 5 -3.948 11.978 10.437 29 HB2 SER 5 HB2 SER 5 -3.220 14.582 10.419 30 HB3 SER 5 HB3 SER 5 -4.964 14.752 10.219 31 HG SER 5 HG SER 5 -4.218 14.685 12.438 32 H GLU 6 H GLU 6 -5.095 13.227 7.434 33 HA GLU 6 HA GLU 6 -7.886 13.018 8.041 34 HB2 GLU 6 HB2 GLU 6 -6.414 14.214 6.040 35 HB3 GLU 6 HB3 GLU 6 -7.166 12.860 5.209 36 HG2 GLU 6 HG2 GLU 6 -9.259 13.705 5.424 37 HG3 GLU 6 HG3 GLU 6 -8.897 14.513 6.948 38 H GLY 7 H GLY 7 -5.433 10.870 6.778 39 HA2 GLY 7 HA2 GLY 7 -6.168 8.474 7.313 40 HA3 GLY 7 HA3 GLY 7 -7.510 8.846 6.246 41 HA PRO 8 HA PRO 8 -5.376 8.336 2.351 42 HB2 PRO 8 HB2 PRO 8 -3.882 10.926 2.536 43 HB3 PRO 8 HB3 PRO 8 -4.718 10.208 1.153 44 HG2 PRO 8 HG2 PRO 8 -5.854 12.168 2.546 45 HG3 PRO 8 HG3 PRO 8 -6.816 10.807 1.941 46 HD2 PRO 8 HD2 PRO 8 -5.932 11.418 4.709 47 HD3 PRO 8 HD3 PRO 8 -7.380 10.559 4.150 48 H VAL 9 H VAL 9 -2.932 10.251 4.128 49 HA VAL 9 HA VAL 9 -0.904 8.291 3.466 50 HB VAL 9 HB VAL 9 -0.607 10.767 5.168 51 HG11 VAL 9 HG11 VAL 9 1.205 8.667 4.279 52 HG12 VAL 9 HG12 VAL 9 1.406 9.876 5.547 53 HG13 VAL 9 HG13 VAL 9 1.770 10.287 3.871 54 HG21 VAL 9 HG21 VAL 9 -1.378 10.794 2.565 55 HG22 VAL 9 HG22 VAL 9 0.378 10.820 2.403 56 HG23 VAL 9 HG23 VAL 9 -0.439 12.068 3.343 57 H THR 10 H THR 10 -0.275 6.672 4.728 58 HA THR 10 HA THR 10 -0.782 6.839 7.617 59 HB THR 10 HB THR 10 -1.159 4.266 6.107 60 HG1 THR 10 HG1 THR 10 -2.659 5.665 5.222 61 HG21 THR 10 HG21 THR 10 -2.426 5.188 8.669 62 HG22 THR 10 HG22 THR 10 -0.942 4.238 8.594 63 HG23 THR 10 HG23 THR 10 -2.449 3.570 7.968 64 H VAL 11 H VAL 11 0.769 5.966 8.919 65 HA VAL 11 HA VAL 11 3.309 5.363 7.659 66 HB VAL 11 HB VAL 11 3.254 6.871 9.594 67 HG11 VAL 11 HG11 VAL 11 2.900 5.804 11.866 68 HG12 VAL 11 HG12 VAL 11 2.150 4.458 11.008 69 HG13 VAL 11 HG13 VAL 11 1.454 6.074 10.892 70 HG21 VAL 11 HG21 VAL 11 5.092 4.961 9.077 71 HG22 VAL 11 HG22 VAL 11 4.687 4.573 10.749 72 HG23 VAL 11 HG23 VAL 11 5.269 6.185 10.335 73 H VAL 12 H VAL 12 4.437 3.451 7.816 74 HA VAL 12 HA VAL 12 3.127 1.182 9.139 75 HB VAL 12 HB VAL 12 4.235 0.979 6.341 76 HG11 VAL 12 HG11 VAL 12 2.838 -1.153 6.429 77 HG12 VAL 12 HG12 VAL 12 2.776 -0.899 8.173 78 HG13 VAL 12 HG13 VAL 12 4.329 -1.126 7.370 79 HG21 VAL 12 HG21 VAL 12 2.375 2.136 5.781 80 HG22 VAL 12 HG22 VAL 12 1.557 1.767 7.299 81 HG23 VAL 12 HG23 VAL 12 1.600 0.568 6.007 82 H VAL 13 H VAL 13 4.683 0.951 10.696 83 HA VAL 13 HA VAL 13 7.463 0.620 9.796 84 HB VAL 13 HB VAL 13 7.128 2.325 11.534 85 HG11 VAL 13 HG11 VAL 13 6.625 1.384 13.882 86 HG12 VAL 13 HG12 VAL 13 5.890 0.038 13.013 87 HG13 VAL 13 HG13 VAL 13 5.282 1.677 12.778 88 HG21 VAL 13 HG21 VAL 13 8.899 1.651 12.983 89 HG22 VAL 13 HG22 VAL 13 9.221 0.961 11.393 90 HG23 VAL 13 HG23 VAL 13 8.574 -0.056 12.680 91 H ALA 14 H ALA 14 8.739 -1.075 10.888 92 HA ALA 14 HA ALA 14 7.826 -3.599 10.485 93 HB1 ALA 14 HB1 ALA 14 10.178 -2.612 11.222 94 HB2 ALA 14 HB2 ALA 14 9.786 -4.327 11.360 95 HB3 ALA 14 HB3 ALA 14 9.674 -3.280 12.775 96 H LYS 15 H LYS 15 7.440 -1.712 13.442 97 HA LYS 15 HA LYS 15 6.258 -3.947 14.856 98 HB2 LYS 15 HB2 LYS 15 5.933 -2.210 16.672 99 HB3 LYS 15 HB3 LYS 15 7.594 -2.554 16.210 100 HG2 LYS 15 HG2 LYS 15 7.792 -0.527 15.025 101 HG3 LYS 15 HG3 LYS 15 6.050 -0.245 15.069 102 HD2 LYS 15 HD2 LYS 15 6.114 0.606 17.157 103 HD3 LYS 15 HD3 LYS 15 7.338 -0.544 17.697 104 HE2 LYS 15 HE2 LYS 15 8.971 0.804 16.260 105 HE3 LYS 15 HE3 LYS 15 7.715 2.041 16.217 106 HZ1 LYS 15 HZ1 LYS 15 7.767 1.727 18.778 107 HZ2 LYS 15 HZ2 LYS 15 8.946 2.679 18.026 108 HZ3 LYS 15 HZ3 LYS 15 9.311 1.096 18.496 109 H ASN 16 H ASN 16 5.093 -1.699 12.662 110 HA ASN 16 HA ASN 16 2.394 -1.796 13.835 111 HB2 ASN 16 HB2 ASN 16 3.788 0.411 13.034 112 HB3 ASN 16 HB3 ASN 16 2.841 0.057 11.594 113 HD21 ASN 16 HD21 ASN 16 0.525 -0.126 11.848 114 HD22 ASN 16 HD22 ASN 16 -0.269 0.802 13.070 115 H TYR 17 H TYR 17 4.149 -2.023 10.758 116 HA TYR 17 HA TYR 17 2.157 -2.593 9.003 117 HB2 TYR 17 HB2 TYR 17 3.832 -3.110 7.597 118 HB3 TYR 17 HB3 TYR 17 4.899 -2.727 8.941 119 HD1 TYR 17 HD1 TYR 17 3.254 -5.474 7.108 120 HD2 TYR 17 HD2 TYR 17 6.163 -4.436 10.031 121 HE1 TYR 17 HE1 TYR 17 4.118 -7.775 7.052 122 HE2 TYR 17 HE2 TYR 17 7.046 -6.732 9.977 123 HH TYR 17 HH TYR 17 6.289 -8.980 9.378 124 H ASN 18 H ASN 18 3.757 -4.983 11.100 125 HA ASN 18 HA ASN 18 2.477 -7.263 10.242 126 HB2 ASN 18 HB2 ASN 18 3.134 -8.281 12.264 127 HB3 ASN 18 HB3 ASN 18 4.331 -7.022 11.986 128 HD21 ASN 18 HD21 ASN 18 3.315 -4.787 12.918 129 HD22 ASN 18 HD22 ASN 18 2.888 -4.912 14.584 130 H GLU 19 H GLU 19 1.238 -4.747 12.354 131 HA GLU 19 HA GLU 19 -1.073 -6.212 13.179 132 HB2 GLU 19 HB2 GLU 19 0.169 -4.037 14.155 133 HB3 GLU 19 HB3 GLU 19 -1.125 -3.252 13.260 134 HG2 GLU 19 HG2 GLU 19 -2.359 -5.322 14.661 135 HG3 GLU 19 HG3 GLU 19 -1.206 -4.613 15.791 136 H ILE 20 H ILE 20 -0.750 -3.342 11.072 137 HA ILE 20 HA ILE 20 -3.383 -3.257 10.202 138 HB ILE 20 HB ILE 20 -2.543 -1.990 8.241 139 HG12 ILE 20 HG12 ILE 20 0.154 -2.765 9.379 140 HG13 ILE 20 HG13 ILE 20 -0.478 -3.160 7.783 141 HG21 ILE 20 HG21 ILE 20 -2.987 -0.809 10.276 142 HG22 ILE 20 HG22 ILE 20 -1.504 -0.163 9.575 143 HG23 ILE 20 HG23 ILE 20 -1.422 -1.272 10.943 144 HD11 ILE 20 HD11 ILE 20 0.800 -1.420 7.170 145 HD12 ILE 20 HD12 ILE 20 0.759 -0.683 8.772 146 HD13 ILE 20 HD13 ILE 20 -0.607 -0.484 7.675 147 H VAL 21 H VAL 21 -0.630 -4.896 8.676 148 HA VAL 21 HA VAL 21 -2.006 -5.858 6.425 149 HB VAL 21 HB VAL 21 -0.145 -7.404 6.131 150 HG11 VAL 21 HG11 VAL 21 0.836 -4.735 7.140 151 HG12 VAL 21 HG12 VAL 21 0.121 -5.013 5.552 152 HG13 VAL 21 HG13 VAL 21 1.644 -5.791 5.981 153 HG21 VAL 21 HG21 VAL 21 1.711 -7.041 8.016 154 HG22 VAL 21 HG22 VAL 21 0.516 -8.336 8.092 155 HG23 VAL 21 HG23 VAL 21 0.268 -6.852 9.011 156 H LEU 22 H LEU 22 -1.512 -7.253 9.639 157 HA LEU 22 HA LEU 22 -2.731 -9.757 8.944 158 HB2 LEU 22 HB2 LEU 22 -1.938 -8.527 11.577 159 HB3 LEU 22 HB3 LEU 22 -2.675 -10.113 11.448 160 HG LEU 22 HG LEU 22 -0.092 -9.374 10.075 161 HD11 LEU 22 HD11 LEU 22 1.116 -9.953 11.888 162 HD12 LEU 22 HD12 LEU 22 -0.060 -11.154 12.424 163 HD13 LEU 22 HD13 LEU 22 -0.335 -9.444 12.752 164 HD21 LEU 22 HD21 LEU 22 -0.006 -11.496 9.326 165 HD22 LEU 22 HD22 LEU 22 -1.757 -11.428 9.530 166 HD23 LEU 22 HD23 LEU 22 -0.750 -12.154 10.783 167 H ASP 23 H ASP 23 -3.981 -6.707 9.566 168 HA ASP 23 HA ASP 23 -6.312 -7.428 11.041 169 HB2 ASP 23 HB2 ASP 23 -5.106 -5.060 10.424 170 HB3 ASP 23 HB3 ASP 23 -6.478 -5.040 9.321 171 H ASP 24 H ASP 24 -7.672 -8.884 10.198 172 HA ASP 24 HA ASP 24 -8.186 -9.047 7.373 173 HB2 ASP 24 HB2 ASP 24 -9.705 -10.881 7.975 174 HB3 ASP 24 HB3 ASP 24 -8.134 -11.074 8.747 175 H THR 25 H THR 25 -9.491 -7.256 9.958 176 HA THR 25 HA THR 25 -12.188 -7.083 9.099 177 HB THR 25 HB THR 25 -11.925 -4.806 10.467 178 HG1 THR 25 HG1 THR 25 -10.240 -4.917 11.902 179 HG21 THR 25 HG21 THR 25 -12.666 -5.874 12.350 180 HG22 THR 25 HG22 THR 25 -11.621 -7.273 12.102 181 HG23 THR 25 HG23 THR 25 -13.060 -7.059 11.105 182 H LYS 26 H LYS 26 -9.262 -5.406 8.206 183 HA LYS 26 HA LYS 26 -10.743 -4.038 6.088 184 HB2 LYS 26 HB2 LYS 26 -10.471 -2.479 8.045 185 HB3 LYS 26 HB3 LYS 26 -8.732 -2.592 7.816 186 HG2 LYS 26 HG2 LYS 26 -9.290 -1.849 5.380 187 HG3 LYS 26 HG3 LYS 26 -10.785 -1.266 6.113 188 HD2 LYS 26 HD2 LYS 26 -9.196 -0.166 7.850 189 HD3 LYS 26 HD3 LYS 26 -7.965 -0.394 6.607 190 HE2 LYS 26 HE2 LYS 26 -8.978 1.075 5.145 191 HE3 LYS 26 HE3 LYS 26 -10.568 0.873 5.881 192 HZ1 LYS 26 HZ1 LYS 26 -9.797 3.006 6.478 193 HZ2 LYS 26 HZ2 LYS 26 -8.274 2.428 6.931 194 HZ3 LYS 26 HZ3 LYS 26 -9.633 2.052 7.865 195 H ASP 27 H ASP 27 -9.493 -3.486 4.264 196 HA ASP 27 HA ASP 27 -7.189 -5.195 3.889 197 HB2 ASP 27 HB2 ASP 27 -9.084 -4.772 2.191 198 HB3 ASP 27 HB3 ASP 27 -8.268 -3.247 1.862 199 H VAL 28 H VAL 28 -5.103 -4.529 3.405 200 HA VAL 28 HA VAL 28 -4.529 -1.659 3.685 201 HB VAL 28 HB VAL 28 -2.834 -3.784 4.992 202 HG11 VAL 28 HG11 VAL 28 -1.475 -2.125 5.662 203 HG12 VAL 28 HG12 VAL 28 -2.811 -1.014 5.964 204 HG13 VAL 28 HG13 VAL 28 -2.198 -1.231 4.325 205 HG21 VAL 28 HG21 VAL 28 -4.962 -3.847 6.100 206 HG22 VAL 28 HG22 VAL 28 -5.013 -2.087 6.200 207 HG23 VAL 28 HG23 VAL 28 -3.821 -2.988 7.134 208 H LEU 29 H LEU 29 -2.845 -0.884 2.474 209 HA LEU 29 HA LEU 29 -1.442 -2.821 0.753 210 HB2 LEU 29 HB2 LEU 29 -2.028 -0.079 -0.256 211 HB3 LEU 29 HB3 LEU 29 -1.802 -1.572 -1.148 212 HG LEU 29 HG LEU 29 -4.253 -0.997 0.512 213 HD11 LEU 29 HD11 LEU 29 -4.712 0.535 -1.060 214 HD12 LEU 29 HD12 LEU 29 -5.087 -0.866 -2.062 215 HD13 LEU 29 HD13 LEU 29 -3.504 -0.098 -2.178 216 HD21 LEU 29 HD21 LEU 29 -3.412 -3.382 -0.276 217 HD22 LEU 29 HD22 LEU 29 -4.183 -2.880 -1.780 218 HD23 LEU 29 HD23 LEU 29 -5.121 -2.944 -0.288 219 H ILE 30 H ILE 30 0.563 -2.833 1.596 220 HA ILE 30 HA ILE 30 1.812 -0.280 2.324 221 HB ILE 30 HB ILE 30 1.887 -2.052 4.019 222 HG12 ILE 30 HG12 ILE 30 4.574 -1.385 2.795 223 HG13 ILE 30 HG13 ILE 30 3.696 -0.417 3.975 224 HG21 ILE 30 HG21 ILE 30 3.870 -3.713 2.681 225 HG22 ILE 30 HG22 ILE 30 2.290 -3.756 1.899 226 HG23 ILE 30 HG23 ILE 30 2.441 -4.174 3.606 227 HD11 ILE 30 HD11 ILE 30 5.001 -1.447 5.462 228 HD12 ILE 30 HD12 ILE 30 5.400 -2.758 4.352 229 HD13 ILE 30 HD13 ILE 30 3.890 -2.802 5.263 230 H GLU 31 H GLU 31 3.041 0.676 0.846 231 HA GLU 31 HA GLU 31 4.349 -0.992 -1.193 232 HB2 GLU 31 HB2 GLU 31 2.723 0.862 -1.861 233 HB3 GLU 31 HB3 GLU 31 3.963 1.993 -1.338 234 HG2 GLU 31 HG2 GLU 31 4.886 1.855 -3.337 235 HG3 GLU 31 HG3 GLU 31 5.244 0.157 -3.028 236 H PHE 32 H PHE 32 6.492 -1.134 -1.283 237 HA PHE 32 HA PHE 32 8.068 0.483 0.587 238 HB2 PHE 32 HB2 PHE 32 8.464 -2.195 -0.701 239 HB3 PHE 32 HB3 PHE 32 9.861 -1.293 -0.124 240 HD1 PHE 32 HD2 PHE 32 9.626 -0.376 2.337 241 HD2 PHE 32 HD1 PHE 32 7.431 -3.653 0.739 242 HE1 PHE 32 HE2 PHE 32 9.231 -1.218 4.616 243 HE2 PHE 32 HE1 PHE 32 7.031 -4.500 3.014 244 HZ PHE 32 HZ PHE 32 7.932 -3.283 4.956 245 H TYR 33 H TYR 33 9.184 2.148 -0.171 246 HA TYR 33 HA TYR 33 10.407 1.981 -2.821 247 HB2 TYR 33 HB2 TYR 33 9.600 4.194 -3.461 248 HB3 TYR 33 HB3 TYR 33 8.242 3.120 -3.144 249 HD1 TYR 33 HD2 TYR 33 7.061 3.309 -0.903 250 HD2 TYR 33 HD1 TYR 33 9.824 6.225 -2.303 251 HE1 TYR 33 HE2 TYR 33 6.144 4.937 0.695 252 HE2 TYR 33 HE1 TYR 33 8.915 7.861 -0.709 253 HH TYR 33 HH TYR 33 7.681 7.917 1.371 254 H ALA 34 H ALA 34 11.747 4.123 -3.158 255 HA ALA 34 HA ALA 34 12.933 5.041 -0.650 256 HB1 ALA 34 HB1 ALA 34 14.378 3.499 -2.775 257 HB2 ALA 34 HB2 ALA 34 14.398 3.273 -1.026 258 HB3 ALA 34 HB3 ALA 34 15.233 4.650 -1.747 259 HA PRO 35 HA PRO 35 13.074 8.876 -2.842 260 HB2 PRO 35 HB2 PRO 35 14.994 10.180 -1.449 261 HB3 PRO 35 HB3 PRO 35 13.383 9.872 -0.791 262 HG2 PRO 35 HG2 PRO 35 15.939 8.387 -0.316 263 HG3 PRO 35 HG3 PRO 35 14.692 8.869 0.850 264 HD2 PRO 35 HD2 PRO 35 14.871 6.354 -0.156 265 HD3 PRO 35 HD3 PRO 35 13.328 7.093 0.314 266 H TRP 36 H TRP 36 16.274 7.507 -2.079 267 HA TRP 36 HA TRP 36 17.531 8.828 -4.300 268 HB2 TRP 36 HB2 TRP 36 19.528 7.537 -3.640 269 HB3 TRP 36 HB3 TRP 36 18.805 8.376 -2.272 270 HD1 TRP 36 HD1 TRP 36 18.419 4.825 -3.824 271 HE1 TRP 36 HE1 TRP 36 18.358 3.129 -1.890 272 HE3 TRP 36 HE3 TRP 36 18.826 8.065 0.110 273 HZ2 TRP 36 HZ2 TRP 36 18.468 3.160 0.931 274 HZ3 TRP 36 HZ3 TRP 36 18.840 7.151 2.394 275 HH2 TRP 36 HH2 TRP 36 18.664 4.749 2.794 276 H CYS 37 H CYS 37 15.499 6.225 -4.154 277 HA CYS 37 HA CYS 37 16.595 4.206 -5.659 278 HB2 CYS 37 HB2 CYS 37 14.410 3.931 -4.719 279 HB3 CYS 37 HB3 CYS 37 13.779 5.298 -5.631 280 H GLY 38 H GLY 38 15.013 7.159 -6.850 281 HA2 GLY 38 HA2 GLY 38 15.695 8.320 -8.804 282 HA3 GLY 38 HA3 GLY 38 16.479 6.851 -9.371 283 H HIS 39 H HIS 39 14.359 5.062 -8.961 284 HA HIS 39 HA HIS 39 12.477 5.958 -11.036 285 HB2 HIS 39 HB2 HIS 39 14.073 3.840 -11.235 286 HB3 HIS 39 HB3 HIS 39 12.773 3.073 -10.327 287 HD1 HIS 39 HD1 HIS 39 13.311 4.963 -13.571 288 HD2 HIS 39 HD2 HIS 39 10.645 2.287 -11.839 289 HE1 HIS 39 HE1 HIS 39 11.723 4.311 -15.409 290 HE2 HIS 39 HE2 HIS 39 10.066 2.760 -14.315 291 H CYS 40 H CYS 40 12.690 5.535 -7.772 292 HA CYS 40 HA CYS 40 9.892 4.681 -7.499 293 HB2 CYS 40 HB2 CYS 40 11.926 4.836 -5.278 294 HB3 CYS 40 HB3 CYS 40 10.381 3.995 -5.276 295 H LYS 41 H LYS 41 12.044 7.336 -7.152 296 HA LYS 41 HA LYS 41 10.947 8.865 -5.152 297 HB2 LYS 41 HB2 LYS 41 12.871 9.284 -6.987 298 HB3 LYS 41 HB3 LYS 41 11.607 10.308 -7.656 299 HG2 LYS 41 HG2 LYS 41 11.463 11.535 -5.567 300 HG3 LYS 41 HG3 LYS 41 12.681 10.480 -4.847 301 HD2 LYS 41 HD2 LYS 41 14.115 12.086 -5.506 302 HD3 LYS 41 HD3 LYS 41 13.973 11.307 -7.083 303 HE2 LYS 41 HE2 LYS 41 13.433 13.382 -7.774 304 HE3 LYS 41 HE3 LYS 41 11.837 12.952 -7.161 305 HZ1 LYS 41 HZ1 LYS 41 13.025 15.152 -6.430 306 HZ2 LYS 41 HZ2 LYS 41 13.764 14.135 -5.299 307 HZ3 LYS 41 HZ3 LYS 41 12.079 14.273 -5.337 308 H ALA 42 H ALA 42 9.623 8.128 -8.279 309 HA ALA 42 HA ALA 42 7.594 10.174 -8.183 310 HB1 ALA 42 HB1 ALA 42 8.423 8.067 -10.074 311 HB2 ALA 42 HB2 ALA 42 7.940 9.737 -10.372 312 HB3 ALA 42 HB3 ALA 42 6.713 8.501 -10.098 313 H LEU 43 H LEU 43 7.936 6.857 -7.208 314 HA LEU 43 HA LEU 43 5.244 6.102 -7.044 315 HB2 LEU 43 HB2 LEU 43 7.674 4.928 -6.493 316 HB3 LEU 43 HB3 LEU 43 6.949 5.060 -4.903 317 HG LEU 43 HG LEU 43 6.471 2.889 -5.866 318 HD11 LEU 43 HD11 LEU 43 3.799 4.022 -6.180 319 HD12 LEU 43 HD12 LEU 43 4.635 4.564 -4.725 320 HD13 LEU 43 HD13 LEU 43 4.405 2.841 -5.019 321 HD21 LEU 43 HD21 LEU 43 6.478 4.067 -8.268 322 HD22 LEU 43 HD22 LEU 43 4.738 3.986 -7.993 323 HD23 LEU 43 HD23 LEU 43 5.706 2.512 -7.961 324 H ALA 44 H ALA 44 7.267 7.986 -4.894 325 HA ALA 44 HA ALA 44 5.654 7.916 -2.599 326 HB1 ALA 44 HB1 ALA 44 7.645 8.812 -2.034 327 HB2 ALA 44 HB2 ALA 44 6.816 10.331 -2.373 328 HB3 ALA 44 HB3 ALA 44 7.857 9.602 -3.596 329 HA PRO 45 HA PRO 45 3.679 12.113 -4.061 330 HB2 PRO 45 HB2 PRO 45 3.978 12.648 -6.748 331 HB3 PRO 45 HB3 PRO 45 4.983 13.343 -5.472 332 HG2 PRO 45 HG2 PRO 45 5.537 11.017 -7.268 333 HG3 PRO 45 HG3 PRO 45 6.630 12.308 -6.733 334 HD2 PRO 45 HD2 PRO 45 6.699 9.863 -5.634 335 HD3 PRO 45 HD3 PRO 45 6.984 11.323 -4.665 336 H LYS 46 H LYS 46 3.897 9.462 -6.387 337 HA LYS 46 HA LYS 46 1.287 9.760 -7.448 338 HB2 LYS 46 HB2 LYS 46 3.407 8.334 -8.222 339 HB3 LYS 46 HB3 LYS 46 2.550 7.067 -7.355 340 HG2 LYS 46 HG2 LYS 46 1.790 6.820 -9.522 341 HG3 LYS 46 HG3 LYS 46 0.517 7.783 -8.770 342 HD2 LYS 46 HD2 LYS 46 2.187 9.727 -9.667 343 HD3 LYS 46 HD3 LYS 46 2.416 8.486 -10.901 344 HE2 LYS 46 HE2 LYS 46 -0.245 8.421 -10.737 345 HE3 LYS 46 HE3 LYS 46 0.014 10.089 -10.230 346 HZ1 LYS 46 HZ1 LYS 46 -0.204 9.350 -12.769 347 HZ2 LYS 46 HZ2 LYS 46 1.474 9.235 -12.592 348 HZ3 LYS 46 HZ3 LYS 46 0.690 10.699 -12.274 349 H TYR 47 H TYR 47 2.559 8.196 -4.609 350 HA TYR 47 HA TYR 47 0.194 6.643 -4.096 351 HB2 TYR 47 HB2 TYR 47 2.833 6.652 -3.144 352 HB3 TYR 47 HB3 TYR 47 1.839 7.075 -1.754 353 HD1 TYR 47 HD2 TYR 47 2.233 4.538 -4.442 354 HD2 TYR 47 HD1 TYR 47 0.656 5.420 -0.590 355 HE1 TYR 47 HE2 TYR 47 1.655 2.167 -4.142 356 HE2 TYR 47 HE1 TYR 47 0.076 3.051 -0.279 357 HH TYR 47 HH TYR 47 -0.081 0.859 -2.727 358 H GLU 48 H GLU 48 1.369 9.814 -3.276 359 HA GLU 48 HA GLU 48 -0.390 10.283 -1.088 360 HB2 GLU 48 HB2 GLU 48 1.453 11.906 -2.752 361 HB3 GLU 48 HB3 GLU 48 0.156 12.777 -1.945 362 HG2 GLU 48 HG2 GLU 48 1.728 10.868 -0.319 363 HG3 GLU 48 HG3 GLU 48 2.520 12.361 -0.820 364 H GLU 49 H GLU 49 -0.588 10.772 -4.561 365 HA GLU 49 HA GLU 49 -2.974 12.322 -4.517 366 HB2 GLU 49 HB2 GLU 49 -1.127 11.758 -6.422 367 HB3 GLU 49 HB3 GLU 49 -2.426 10.679 -6.910 368 HG2 GLU 49 HG2 GLU 49 -3.143 12.462 -8.054 369 HG3 GLU 49 HG3 GLU 49 -3.813 12.953 -6.500 370 H LEU 50 H LEU 50 -2.374 8.913 -5.381 371 HA LEU 50 HA LEU 50 -5.065 8.191 -5.677 372 HB2 LEU 50 HB2 LEU 50 -3.440 6.736 -6.576 373 HB3 LEU 50 HB3 LEU 50 -2.579 6.619 -5.054 374 HG LEU 50 HG LEU 50 -4.526 5.358 -4.118 375 HD11 LEU 50 HD11 LEU 50 -5.566 5.931 -6.820 376 HD12 LEU 50 HD12 LEU 50 -6.420 5.722 -5.291 377 HD13 LEU 50 HD13 LEU 50 -5.860 4.310 -6.189 378 HD21 LEU 50 HD21 LEU 50 -4.078 3.404 -5.957 379 HD22 LEU 50 HD22 LEU 50 -3.003 3.788 -4.613 380 HD23 LEU 50 HD23 LEU 50 -2.685 4.455 -6.213 381 H GLY 51 H GLY 51 -3.069 8.548 -2.845 382 HA2 GLY 51 HA2 GLY 51 -4.651 7.033 -1.049 383 HA3 GLY 51 HA3 GLY 51 -3.503 8.286 -0.605 384 H ALA 52 H ALA 52 -4.654 10.478 -1.890 385 HA ALA 52 HA ALA 52 -6.711 11.137 -0.016 386 HB1 ALA 52 HB1 ALA 52 -6.310 12.926 -2.319 387 HB2 ALA 52 HB2 ALA 52 -4.876 12.602 -1.345 388 HB3 ALA 52 HB3 ALA 52 -6.320 13.279 -0.592 389 H LEU 53 H LEU 53 -6.625 10.112 -3.349 390 HA LEU 53 HA LEU 53 -9.321 10.853 -3.955 391 HB2 LEU 53 HB2 LEU 53 -7.088 9.564 -5.316 392 HB3 LEU 53 HB3 LEU 53 -8.631 8.838 -5.726 393 HG LEU 53 HG LEU 53 -8.476 11.800 -5.832 394 HD11 LEU 53 HD11 LEU 53 -7.679 11.257 -8.329 395 HD12 LEU 53 HD12 LEU 53 -6.803 9.995 -7.463 396 HD13 LEU 53 HD13 LEU 53 -6.565 11.689 -7.032 397 HD21 LEU 53 HD21 LEU 53 -9.571 10.154 -8.021 398 HD22 LEU 53 HD22 LEU 53 -10.231 11.589 -7.236 399 HD23 LEU 53 HD23 LEU 53 -10.381 10.012 -6.461 400 H TYR 54 H TYR 54 -7.745 7.701 -3.406 401 HA TYR 54 HA TYR 54 -10.131 6.207 -3.382 402 HB2 TYR 54 HB2 TYR 54 -7.414 5.640 -3.261 403 HB3 TYR 54 HB3 TYR 54 -8.026 5.082 -1.708 404 HD1 TYR 54 HD2 TYR 54 -9.702 5.069 -5.033 405 HD2 TYR 54 HD1 TYR 54 -8.021 2.755 -1.884 406 HE1 TYR 54 HE2 TYR 54 -10.531 3.018 -6.106 407 HE2 TYR 54 HE1 TYR 54 -8.844 0.697 -2.948 408 HH TYR 54 HH TYR 54 -9.458 0.068 -5.512 409 H ALA 55 H ALA 55 -8.416 7.960 -0.887 410 HA ALA 55 HA ALA 55 -9.786 6.842 1.333 411 HB1 ALA 55 HB1 ALA 55 -7.657 7.961 1.616 412 HB2 ALA 55 HB2 ALA 55 -8.894 8.768 2.580 413 HB3 ALA 55 HB3 ALA 55 -8.354 9.482 1.061 414 H LYS 56 H LYS 56 -10.434 9.531 -0.824 415 HA LYS 56 HA LYS 56 -12.562 10.627 0.740 416 HB2 LYS 56 HB2 LYS 56 -11.082 11.682 -1.187 417 HB3 LYS 56 HB3 LYS 56 -12.388 11.088 -2.204 418 HG2 LYS 56 HG2 LYS 56 -13.109 13.212 -1.764 419 HG3 LYS 56 HG3 LYS 56 -13.904 12.318 -0.467 420 HD2 LYS 56 HD2 LYS 56 -11.549 12.903 0.718 421 HD3 LYS 56 HD3 LYS 56 -11.724 14.299 -0.348 422 HE2 LYS 56 HE2 LYS 56 -14.221 14.135 0.679 423 HE3 LYS 56 HE3 LYS 56 -13.272 13.523 2.033 424 HZ1 LYS 56 HZ1 LYS 56 -12.860 16.122 0.656 425 HZ2 LYS 56 HZ2 LYS 56 -11.921 15.534 1.934 426 HZ3 LYS 56 HZ3 LYS 56 -13.552 15.907 2.185 427 H SER 57 H SER 57 -12.296 8.173 -1.715 428 HA SER 57 HA SER 57 -14.937 8.051 -2.607 429 HB2 SER 57 HB2 SER 57 -12.685 6.689 -3.216 430 HB3 SER 57 HB3 SER 57 -13.526 5.468 -2.262 431 HG SER 57 HG SER 57 -14.990 5.274 -3.783 432 H GLU 58 H GLU 58 -16.065 5.680 -2.143 433 HA GLU 58 HA GLU 58 -16.850 5.889 0.664 434 HB2 GLU 58 HB2 GLU 58 -18.165 4.224 -1.481 435 HB3 GLU 58 HB3 GLU 58 -18.847 4.724 0.061 436 HG2 GLU 58 HG2 GLU 58 -19.658 6.569 -0.841 437 HG3 GLU 58 HG3 GLU 58 -18.060 7.037 -1.420 438 H PHE 59 H PHE 59 -14.360 4.755 0.315 439 HA PHE 59 HA PHE 59 -14.871 2.022 1.239 440 HB2 PHE 59 HB2 PHE 59 -12.697 2.732 -0.740 441 HB3 PHE 59 HB3 PHE 59 -13.016 1.136 -0.070 442 HD1 PHE 59 HD2 PHE 59 -15.188 0.001 -0.633 443 HD2 PHE 59 HD1 PHE 59 -13.831 3.500 -2.639 444 HE1 PHE 59 HE2 PHE 59 -16.727 -0.474 -2.493 445 HE2 PHE 59 HE1 PHE 59 -15.369 3.033 -4.503 446 HZ PHE 59 HZ PHE 59 -16.818 1.043 -4.432 447 H LYS 60 H LYS 60 -14.292 4.453 2.668 448 HA LYS 60 HA LYS 60 -11.586 4.676 3.391 449 HB2 LYS 60 HB2 LYS 60 -13.242 6.410 3.893 450 HB3 LYS 60 HB3 LYS 60 -14.058 5.323 5.009 451 HG2 LYS 60 HG2 LYS 60 -12.803 6.676 6.404 452 HG3 LYS 60 HG3 LYS 60 -11.798 5.235 6.238 453 HD2 LYS 60 HD2 LYS 60 -10.241 6.306 4.934 454 HD3 LYS 60 HD3 LYS 60 -11.406 7.481 4.320 455 HE2 LYS 60 HE2 LYS 60 -10.529 7.450 7.193 456 HE3 LYS 60 HE3 LYS 60 -9.633 8.324 5.952 457 HZ1 LYS 60 HZ1 LYS 60 -12.495 8.816 6.045 458 HZ2 LYS 60 HZ2 LYS 60 -11.218 9.895 5.790 459 HZ3 LYS 60 HZ3 LYS 60 -11.606 9.400 7.360 460 H ASP 61 H ASP 61 -14.235 2.781 4.784 461 HA ASP 61 HA ASP 61 -12.393 1.554 6.687 462 HB2 ASP 61 HB2 ASP 61 -14.778 2.366 7.253 463 HB3 ASP 61 HB3 ASP 61 -15.319 0.903 6.435 464 H ARG 62 H ARG 62 -12.623 1.049 3.636 465 HA ARG 62 HA ARG 62 -12.900 -1.878 3.806 466 HB2 ARG 62 HB2 ARG 62 -13.627 0.093 1.706 467 HB3 ARG 62 HB3 ARG 62 -13.008 -1.459 1.161 468 HG2 ARG 62 HG2 ARG 62 -15.062 -2.258 1.369 469 HG3 ARG 62 HG3 ARG 62 -14.883 -2.094 3.116 470 HD2 ARG 62 1HD ARG 62 -15.884 0.064 3.097 471 HD3 ARG 62 2HD ARG 62 -15.827 0.143 1.337 472 HE ARG 62 HE ARG 62 -17.752 -1.096 1.248 473 HH11 ARG 62 HH11 ARG 62 -16.427 -1.284 4.471 474 HH12 ARG 62 HH12 ARG 62 -17.816 -2.081 5.131 475 HH21 ARG 62 HH21 ARG 62 -19.580 -2.144 2.114 476 HH22 ARG 62 HH22 ARG 62 -19.606 -2.570 3.793 477 H VAL 63 H VAL 63 -11.070 0.704 2.179 478 HA VAL 63 HA VAL 63 -8.699 -1.027 2.275 479 HB VAL 63 HB VAL 63 -9.608 -1.160 -0.006 480 HG11 VAL 63 HG11 VAL 63 -10.051 0.645 -1.358 481 HG12 VAL 63 HG12 VAL 63 -8.970 1.716 -0.467 482 HG13 VAL 63 HG13 VAL 63 -10.534 1.276 0.217 483 HG21 VAL 63 HG21 VAL 63 -7.553 -1.168 -0.923 484 HG22 VAL 63 HG22 VAL 63 -7.024 -0.770 0.712 485 HG23 VAL 63 HG23 VAL 63 -7.237 0.510 -0.482 486 H VAL 64 H VAL 64 -6.802 0.001 2.730 487 HA VAL 64 HA VAL 64 -6.880 2.936 2.964 488 HB VAL 64 HB VAL 64 -7.097 1.936 5.197 489 HG11 VAL 64 HG11 VAL 64 -5.646 -0.109 4.391 490 HG12 VAL 64 HG12 VAL 64 -5.684 0.373 6.087 491 HG13 VAL 64 HG13 VAL 64 -4.329 0.851 5.065 492 HG21 VAL 64 HG21 VAL 64 -4.312 3.016 5.078 493 HG22 VAL 64 HG22 VAL 64 -5.596 3.347 6.242 494 HG23 VAL 64 HG23 VAL 64 -5.675 4.039 4.621 495 H ILE 65 H ILE 65 -5.250 3.963 2.003 496 HA ILE 65 HA ILE 65 -3.148 2.411 0.746 497 HB ILE 65 HB ILE 65 -3.512 5.403 0.647 498 HG12 ILE 65 HG12 ILE 65 -5.582 4.230 -0.059 499 HG13 ILE 65 HG13 ILE 65 -4.808 5.092 -1.384 500 HG21 ILE 65 HG21 ILE 65 -2.412 4.952 -1.643 501 HG22 ILE 65 HG22 ILE 65 -1.938 3.408 -0.935 502 HG23 ILE 65 HG23 ILE 65 -1.404 4.918 -0.196 503 HD11 ILE 65 HD11 ILE 65 -4.704 3.235 -2.573 504 HD12 ILE 65 HD12 ILE 65 -5.587 2.404 -1.293 505 HD13 ILE 65 HD13 ILE 65 -3.823 2.413 -1.286 506 H ALA 66 H ALA 66 -1.506 1.845 2.041 507 HA ALA 66 HA ALA 66 -0.411 3.870 3.877 508 HB1 ALA 66 HB1 ALA 66 -1.249 1.402 4.533 509 HB2 ALA 66 HB2 ALA 66 0.028 2.259 5.397 510 HB3 ALA 66 HB3 ALA 66 0.443 1.062 4.170 511 H LYS 67 H LYS 67 1.641 4.553 3.668 512 HA LYS 67 HA LYS 67 3.274 3.300 1.558 513 HB2 LYS 67 HB2 LYS 67 4.315 5.493 1.220 514 HB3 LYS 67 HB3 LYS 67 2.576 5.572 0.980 515 HG2 LYS 67 HG2 LYS 67 2.481 6.349 3.427 516 HG3 LYS 67 HG3 LYS 67 4.211 6.645 3.244 517 HD2 LYS 67 HD2 LYS 67 2.313 7.718 1.204 518 HD3 LYS 67 HD3 LYS 67 2.482 8.548 2.752 519 HE2 LYS 67 HE2 LYS 67 4.196 9.615 1.791 520 HE3 LYS 67 HE3 LYS 67 5.087 8.114 2.035 521 HZ1 LYS 67 HZ1 LYS 67 5.024 7.620 -0.146 522 HZ2 LYS 67 HZ2 LYS 67 4.815 9.288 -0.330 523 HZ3 LYS 67 HZ3 LYS 67 3.474 8.259 -0.376 524 H VAL 68 H VAL 68 5.555 3.200 1.886 525 HA VAL 68 HA VAL 68 6.763 3.934 4.356 526 HB VAL 68 HB VAL 68 5.468 2.015 5.170 527 HG11 VAL 68 HG11 VAL 68 6.938 0.542 3.000 528 HG12 VAL 68 HG12 VAL 68 5.197 0.671 3.246 529 HG13 VAL 68 HG13 VAL 68 6.178 -0.274 4.366 530 HG21 VAL 68 HG21 VAL 68 7.366 0.714 6.116 531 HG22 VAL 68 HG22 VAL 68 7.557 2.461 6.266 532 HG23 VAL 68 HG23 VAL 68 8.448 1.579 5.025 533 H ASP 69 H ASP 69 9.008 3.571 4.387 534 HA ASP 69 HA ASP 69 10.162 3.181 1.753 535 HB2 ASP 69 HB2 ASP 69 12.299 3.828 2.938 536 HB3 ASP 69 HB3 ASP 69 11.028 5.047 2.971 537 H ALA 70 H ALA 70 11.689 1.612 1.220 538 HA ALA 70 HA ALA 70 11.483 -0.836 2.774 539 HB1 ALA 70 HB1 ALA 70 13.194 -0.957 0.426 540 HB2 ALA 70 HB2 ALA 70 11.591 -0.316 0.070 541 HB3 ALA 70 HB3 ALA 70 11.759 -1.898 0.832 542 H THR 71 H THR 71 12.854 0.962 4.241 543 HA THR 71 HA THR 71 15.558 -0.166 4.233 544 HB THR 71 HB THR 71 16.635 1.898 4.421 545 HG1 THR 71 HG1 THR 71 15.566 3.055 5.874 546 HG21 THR 71 HG21 THR 71 15.998 1.790 2.158 547 HG22 THR 71 HG22 THR 71 15.653 3.437 2.688 548 HG23 THR 71 HG23 THR 71 14.340 2.270 2.523 549 H ALA 72 H ALA 72 12.974 -0.429 5.816 550 HA ALA 72 HA ALA 72 13.709 0.560 8.438 551 HB1 ALA 72 HB1 ALA 72 11.326 0.349 7.401 552 HB2 ALA 72 HB2 ALA 72 11.575 0.020 9.116 553 HB3 ALA 72 HB3 ALA 72 11.433 -1.316 7.973 554 H ASN 73 H ASN 73 13.120 -1.250 10.231 555 HA ASN 73 HA ASN 73 15.000 -3.446 9.695 556 HB2 ASN 73 HB2 ASN 73 14.121 -2.751 12.467 557 HB3 ASN 73 HB3 ASN 73 15.662 -3.395 11.911 558 HD21 ASN 73 HD21 ASN 73 13.656 -0.508 11.990 559 HD22 ASN 73 HD22 ASN 73 14.958 0.624 11.907 560 H ASP 74 H ASP 74 14.543 -5.530 10.724 561 HA ASP 74 HA ASP 74 13.221 -7.368 10.949 562 HB2 ASP 74 HB2 ASP 74 11.713 -5.252 12.444 563 HB3 ASP 74 HB3 ASP 74 11.013 -6.857 12.259 564 H VAL 75 H VAL 75 13.043 -6.156 8.450 565 HA VAL 75 HA VAL 75 10.250 -6.760 7.740 566 HB VAL 75 HB VAL 75 10.578 -4.346 7.574 567 HG11 VAL 75 HG11 VAL 75 12.362 -3.336 6.664 568 HG12 VAL 75 HG12 VAL 75 12.435 -4.462 5.308 569 HG13 VAL 75 HG13 VAL 75 13.140 -4.906 6.863 570 HG21 VAL 75 HG21 VAL 75 9.068 -4.648 5.957 571 HG22 VAL 75 HG22 VAL 75 9.909 -6.060 5.317 572 HG23 VAL 75 HG23 VAL 75 10.405 -4.440 4.826 573 HA PRO 76 HA PRO 76 13.062 -9.539 5.353 574 HB2 PRO 76 HB2 PRO 76 11.486 -11.729 5.533 575 HB3 PRO 76 HB3 PRO 76 12.612 -11.262 6.813 576 HG2 PRO 76 HG2 PRO 76 9.658 -10.803 6.629 577 HG3 PRO 76 HG3 PRO 76 10.623 -11.332 8.020 578 HD2 PRO 76 HD2 PRO 76 9.789 -8.769 7.696 579 HD3 PRO 76 HD3 PRO 76 11.303 -9.191 8.521 580 H ASP 77 H ASP 77 12.361 -8.050 3.604 581 HA ASP 77 HA ASP 77 10.305 -9.327 1.925 582 HB2 ASP 77 HB2 ASP 77 9.501 -7.167 2.821 583 HB3 ASP 77 HB3 ASP 77 10.891 -6.363 2.098 584 H GLU 78 H GLU 78 11.743 -10.505 0.694 585 HA GLU 78 HA GLU 78 13.970 -9.155 -0.600 586 HB2 GLU 78 HB2 GLU 78 13.696 -11.690 0.315 587 HB3 GLU 78 HB3 GLU 78 13.283 -11.926 -1.378 588 HG2 GLU 78 HG2 GLU 78 15.528 -10.405 -1.576 589 HG3 GLU 78 HG3 GLU 78 15.864 -11.351 -0.126 590 H ILE 79 H ILE 79 13.710 -8.112 -2.457 591 HA ILE 79 HA ILE 79 11.826 -9.185 -4.436 592 HB ILE 79 HB ILE 79 11.090 -6.895 -5.002 593 HG12 ILE 79 HG12 ILE 79 13.111 -5.783 -3.965 594 HG13 ILE 79 HG13 ILE 79 11.567 -5.024 -3.598 595 HG21 ILE 79 HG21 ILE 79 9.401 -7.737 -3.795 596 HG22 ILE 79 HG22 ILE 79 9.960 -6.626 -2.544 597 HG23 ILE 79 HG23 ILE 79 10.469 -8.314 -2.516 598 HD11 ILE 79 HD11 ILE 79 13.551 -6.027 -1.818 599 HD12 ILE 79 HD12 ILE 79 12.042 -6.902 -1.561 600 HD13 ILE 79 HD13 ILE 79 12.071 -5.142 -1.452 601 H GLN 80 H GLN 80 12.190 -8.376 -6.622 602 HA GLN 80 HA GLN 80 14.987 -8.328 -7.240 603 HB2 GLN 80 HB2 GLN 80 14.264 -8.311 -9.575 604 HB3 GLN 80 HB3 GLN 80 13.402 -9.537 -8.657 605 HG2 GLN 80 HG2 GLN 80 11.518 -7.887 -8.433 606 HG3 GLN 80 HG3 GLN 80 12.372 -6.878 -9.599 607 HE21 GLN 80 HE21 GLN 80 13.181 -8.339 -11.539 608 HE22 GLN 80 HE22 GLN 80 11.930 -9.285 -12.264 609 H GLY 81 H GLY 81 12.307 -6.006 -7.647 610 HA2 GLY 81 HA2 GLY 81 14.364 -3.901 -7.958 611 HA3 GLY 81 HA3 GLY 81 12.841 -3.879 -8.833 612 H PHE 82 H PHE 82 14.177 -2.043 -6.805 613 HA PHE 82 HA PHE 82 13.024 -1.962 -4.387 614 HB2 PHE 82 HB2 PHE 82 14.153 -0.015 -6.175 615 HB3 PHE 82 HB3 PHE 82 12.923 0.675 -5.112 616 HD1 PHE 82 HD2 PHE 82 13.036 -0.312 -2.661 617 HD2 PHE 82 HD1 PHE 82 16.276 0.022 -5.389 618 HE1 PHE 82 HE2 PHE 82 14.637 -0.355 -0.775 619 HE2 PHE 82 HE1 PHE 82 17.868 -0.046 -3.543 620 HZ PHE 82 HZ PHE 82 17.062 -0.222 -1.212 621 HA PRO 83 HA PRO 83 9.232 0.223 -5.617 622 HB2 PRO 83 HB2 PRO 83 8.569 -0.572 -8.352 623 HB3 PRO 83 HB3 PRO 83 8.598 1.040 -7.641 624 HG2 PRO 83 HG2 PRO 83 10.438 0.144 -9.449 625 HG3 PRO 83 HG3 PRO 83 10.763 1.406 -8.251 626 HD2 PRO 83 HD2 PRO 83 11.575 -1.456 -8.259 627 HD3 PRO 83 HD3 PRO 83 12.412 -0.042 -7.582 628 H THR 84 H THR 84 9.027 -1.604 -4.212 629 HA THR 84 HA THR 84 7.675 -3.939 -5.336 630 HB THR 84 HB THR 84 9.432 -3.402 -3.032 631 HG1 THR 84 HG1 THR 84 8.802 -5.705 -4.566 632 HG21 THR 84 HG21 THR 84 7.570 -3.962 -1.661 633 HG22 THR 84 HG22 THR 84 8.590 -5.396 -1.777 634 HG23 THR 84 HG23 THR 84 7.105 -5.291 -2.722 635 H ILE 85 H ILE 85 5.652 -4.586 -4.680 636 HA ILE 85 HA ILE 85 4.187 -2.752 -2.901 637 HB ILE 85 HB ILE 85 2.946 -4.077 -5.303 638 HG12 ILE 85 HG12 ILE 85 3.002 -1.445 -5.957 639 HG13 ILE 85 HG13 ILE 85 4.529 -1.589 -5.092 640 HG21 ILE 85 HG21 ILE 85 1.469 -1.875 -4.731 641 HG22 ILE 85 HG22 ILE 85 2.013 -2.353 -3.123 642 HG23 ILE 85 HG23 ILE 85 1.124 -3.496 -4.129 643 HD11 ILE 85 HD11 ILE 85 5.100 -3.498 -6.598 644 HD12 ILE 85 HD12 ILE 85 4.965 -1.931 -7.396 645 HD13 ILE 85 HD13 ILE 85 3.657 -3.105 -7.533 646 H LYS 86 H LYS 86 3.441 -3.779 -1.180 647 HA LYS 86 HA LYS 86 2.997 -6.678 -1.334 648 HB2 LYS 86 HB2 LYS 86 4.220 -4.986 0.612 649 HB3 LYS 86 HB3 LYS 86 2.805 -5.727 1.346 650 HG2 LYS 86 HG2 LYS 86 3.624 -7.907 0.955 651 HG3 LYS 86 HG3 LYS 86 4.890 -7.314 -0.122 652 HD2 LYS 86 HD2 LYS 86 5.795 -6.043 1.882 653 HD3 LYS 86 HD3 LYS 86 4.690 -7.007 2.864 654 HE2 LYS 86 HE2 LYS 86 5.880 -8.944 1.401 655 HE3 LYS 86 HE3 LYS 86 7.192 -7.773 1.513 656 HZ1 LYS 86 HZ1 LYS 86 6.372 -7.814 4.034 657 HZ2 LYS 86 HZ2 LYS 86 7.567 -8.852 3.438 658 HZ3 LYS 86 HZ3 LYS 86 5.973 -9.397 3.592 659 H LEU 87 H LEU 87 0.970 -7.297 -1.618 660 HA LEU 87 HA LEU 87 -1.208 -5.540 -0.766 661 HB2 LEU 87 HB2 LEU 87 -0.796 -7.060 -3.053 662 HB3 LEU 87 HB3 LEU 87 -1.988 -7.977 -2.151 663 HG LEU 87 HG LEU 87 -3.094 -6.494 -3.708 664 HD11 LEU 87 HD11 LEU 87 -4.543 -5.275 -2.157 665 HD12 LEU 87 HD12 LEU 87 -3.375 -5.541 -0.863 666 HD13 LEU 87 HD13 LEU 87 -4.211 -6.912 -1.592 667 HD21 LEU 87 HD21 LEU 87 -2.660 -4.276 -3.976 668 HD22 LEU 87 HD22 LEU 87 -1.063 -4.809 -3.451 669 HD23 LEU 87 HD23 LEU 87 -2.164 -4.055 -2.298 670 H TYR 88 H TYR 88 -2.524 -5.998 0.877 671 HA TYR 88 HA TYR 88 -2.513 -8.715 1.996 672 HB2 TYR 88 HB2 TYR 88 -1.764 -6.179 3.321 673 HB3 TYR 88 HB3 TYR 88 -2.821 -7.242 4.244 674 HD1 TYR 88 HD1 TYR 88 -2.063 -9.697 4.503 675 HD2 TYR 88 HD2 TYR 88 0.536 -6.550 3.301 676 HE1 TYR 88 HE1 TYR 88 -0.123 -11.051 5.173 677 HE2 TYR 88 HE2 TYR 88 2.484 -7.897 3.966 678 HH TYR 88 HH TYR 88 2.223 -11.234 4.777 679 HA PRO 89 HA PRO 89 -6.861 -7.452 1.342 680 HB2 PRO 89 HB2 PRO 89 -7.803 -9.953 0.927 681 HB3 PRO 89 HB3 PRO 89 -7.010 -9.014 -0.343 682 HG2 PRO 89 HG2 PRO 89 -5.886 -11.175 1.398 683 HG3 PRO 89 HG3 PRO 89 -5.673 -10.918 -0.344 684 HD2 PRO 89 HD2 PRO 89 -3.810 -10.186 1.490 685 HD3 PRO 89 HD3 PRO 89 -4.052 -9.313 -0.036 686 H ALA 90 H ALA 90 -8.613 -7.536 2.711 687 HA ALA 90 HA ALA 90 -8.099 -8.448 5.388 688 HB1 ALA 90 HB1 ALA 90 -9.613 -6.917 5.961 689 HB2 ALA 90 HB2 ALA 90 -10.829 -7.608 4.887 690 HB3 ALA 90 HB3 ALA 90 -9.653 -6.453 4.260 691 H GLY 91 H GLY 91 -8.409 -10.475 6.019 692 HA2 GLY 91 HA2 GLY 91 -9.980 -12.233 6.531 693 HA3 GLY 91 HA3 GLY 91 -10.764 -11.917 4.990 694 H ALA 92 H ALA 92 -8.365 -11.777 3.433 695 HA ALA 92 HA ALA 92 -7.586 -14.619 3.485 696 HB1 ALA 92 HB1 ALA 92 -7.792 -14.744 1.241 697 HB2 ALA 92 HB2 ALA 92 -7.212 -13.098 0.987 698 HB3 ALA 92 HB3 ALA 92 -8.882 -13.378 1.478 699 H LYS 93 H LYS 93 -6.307 -12.429 4.946 700 HA LYS 93 HA LYS 93 -3.865 -11.797 3.570 701 HB2 LYS 93 HB2 LYS 93 -3.195 -10.992 5.934 702 HB3 LYS 93 HB3 LYS 93 -4.479 -10.140 5.091 703 HG2 LYS 93 HG2 LYS 93 -4.912 -10.567 7.506 704 HG3 LYS 93 HG3 LYS 93 -6.154 -11.188 6.419 705 HD2 LYS 93 HD2 LYS 93 -5.373 -13.418 6.664 706 HD3 LYS 93 HD3 LYS 93 -3.899 -12.882 7.474 707 HE2 LYS 93 HE2 LYS 93 -6.407 -12.045 8.758 708 HE3 LYS 93 HE3 LYS 93 -6.120 -13.784 8.748 709 HZ1 LYS 93 HZ1 LYS 93 -3.880 -12.093 9.528 710 HZ2 LYS 93 HZ2 LYS 93 -4.366 -13.594 10.137 711 HZ3 LYS 93 HZ3 LYS 93 -5.169 -12.186 10.621 712 H GLY 94 H GLY 94 -1.847 -12.138 5.331 713 HA2 GLY 94 HA2 GLY 94 -0.760 -13.813 6.679 714 HA3 GLY 94 HA3 GLY 94 -1.806 -15.018 5.945 715 H GLN 95 H GLN 95 -1.187 -13.440 3.316 716 HA GLN 95 HA GLN 95 1.483 -14.579 2.874 717 HB2 GLN 95 HB2 GLN 95 0.852 -15.522 0.787 718 HB3 GLN 95 HB3 GLN 95 -0.356 -16.034 1.953 719 HG2 GLN 95 HG2 GLN 95 -0.658 -13.842 -0.088 720 HG3 GLN 95 HG3 GLN 95 -1.391 -15.441 -0.144 721 HE21 GLN 95 HE21 GLN 95 -1.744 -12.251 0.862 722 HE22 GLN 95 HE22 GLN 95 -3.171 -12.444 1.816 723 HA PRO 96 HA PRO 96 2.064 -10.292 1.618 724 HB2 PRO 96 HB2 PRO 96 4.768 -11.267 0.937 725 HB3 PRO 96 HB3 PRO 96 4.284 -9.961 2.022 726 HG2 PRO 96 HG2 PRO 96 5.241 -12.279 2.964 727 HG3 PRO 96 HG3 PRO 96 3.965 -11.386 3.812 728 HD2 PRO 96 HD2 PRO 96 3.748 -13.812 2.073 729 HD3 PRO 96 HD3 PRO 96 2.896 -13.425 3.583 730 H VAL 97 H VAL 97 1.025 -9.931 -0.276 731 HA VAL 97 HA VAL 97 1.658 -11.420 -2.662 732 HB VAL 97 HB VAL 97 -0.063 -8.951 -2.445 733 HG11 VAL 97 HG11 VAL 97 -0.597 -11.117 -4.389 734 HG12 VAL 97 HG12 VAL 97 0.815 -10.103 -4.688 735 HG13 VAL 97 HG13 VAL 97 -0.784 -9.371 -4.553 736 HG21 VAL 97 HG21 VAL 97 -0.808 -10.672 -0.855 737 HG22 VAL 97 HG22 VAL 97 -0.899 -11.837 -2.175 738 HG23 VAL 97 HG23 VAL 97 -1.967 -10.434 -2.163 739 H THR 98 H THR 98 3.567 -11.011 -3.594 740 HA THR 98 HA THR 98 4.605 -8.290 -3.683 741 HB THR 98 HB THR 98 6.491 -9.671 -4.971 742 HG1 THR 98 HG1 THR 98 6.511 -11.766 -4.476 743 HG21 THR 98 HG21 THR 98 7.398 -8.810 -3.112 744 HG22 THR 98 HG22 THR 98 7.194 -10.452 -2.500 745 HG23 THR 98 HG23 THR 98 6.002 -9.211 -2.112 746 H TYR 99 H TYR 99 4.438 -7.001 -5.392 747 HA TYR 99 HA TYR 99 3.008 -7.834 -7.720 748 HB2 TYR 99 HB2 TYR 99 4.246 -5.294 -6.763 749 HB3 TYR 99 HB3 TYR 99 3.881 -5.443 -8.479 750 HD1 TYR 99 HD1 TYR 99 1.968 -6.775 -5.578 751 HD2 TYR 99 HD2 TYR 99 2.084 -3.985 -8.789 752 HE1 TYR 99 HE1 TYR 99 -0.369 -6.162 -5.121 753 HE2 TYR 99 HE2 TYR 99 -0.254 -3.364 -8.340 754 HH TYR 99 HH TYR 99 -2.262 -5.167 -6.227 755 H SER 100 H SER 100 4.068 -6.827 -9.895 756 HA SER 100 HA SER 100 6.630 -8.242 -10.195 757 HB2 SER 100 HB2 SER 100 5.861 -8.064 -12.727 758 HB3 SER 100 HB3 SER 100 5.247 -9.341 -11.677 759 HG SER 100 HG SER 100 3.330 -8.537 -11.914 760 H GLY 101 H GLY 101 4.977 -5.215 -10.617 761 HA2 GLY 101 HA2 GLY 101 7.291 -3.675 -10.703 762 HA3 GLY 101 HA3 GLY 101 6.822 -3.973 -12.369 763 H SER 102 H SER 102 6.781 -1.609 -10.328 764 HA SER 102 HA SER 102 3.972 -0.842 -10.589 765 HB2 SER 102 HB2 SER 102 5.752 -0.501 -8.533 766 HB3 SER 102 HB3 SER 102 5.812 1.073 -9.324 767 HG SER 102 HG SER 102 3.413 0.926 -9.228 768 H ARG 103 H ARG 103 3.607 1.546 -11.123 769 HA ARG 103 HA ARG 103 5.437 2.977 -12.705 770 HB2 ARG 103 HB2 ARG 103 4.413 2.667 -14.929 771 HB3 ARG 103 HB3 ARG 103 5.153 1.192 -14.322 772 HG2 ARG 103 HG2 ARG 103 2.739 0.676 -13.472 773 HG3 ARG 103 HG3 ARG 103 2.273 1.852 -14.703 774 HD2 ARG 103 1HD ARG 103 4.209 -0.208 -15.547 775 HD3 ARG 103 2HD ARG 103 2.583 -0.783 -15.181 776 HE ARG 103 HE ARG 103 2.554 1.508 -16.881 777 HH11 ARG 103 HH11 ARG 103 3.012 -1.952 -16.848 778 HH12 ARG 103 HH12 ARG 103 2.535 -2.156 -18.500 779 HH21 ARG 103 HH21 ARG 103 1.924 1.241 -19.053 780 HH22 ARG 103 HH22 ARG 103 1.917 -0.344 -19.752 781 H THR 104 H THR 104 2.007 2.217 -12.235 782 HA THR 104 HA THR 104 1.478 5.034 -11.749 783 HB THR 104 HB THR 104 -0.140 3.507 -13.794 784 HG1 THR 104 HG1 THR 104 0.887 4.903 -15.296 785 HG21 THR 104 HG21 THR 104 -0.136 6.459 -13.635 786 HG22 THR 104 HG22 THR 104 -1.040 5.575 -12.406 787 HG23 THR 104 HG23 THR 104 -1.417 5.345 -14.113 788 H VAL 105 H VAL 105 -0.383 5.420 -10.524 789 HA VAL 105 HA VAL 105 -1.100 3.412 -8.699 790 HB VAL 105 HB VAL 105 -2.996 5.011 -8.095 791 HG11 VAL 105 HG11 VAL 105 -0.158 6.032 -8.101 792 HG12 VAL 105 HG12 VAL 105 -0.880 4.962 -6.899 793 HG13 VAL 105 HG13 VAL 105 -1.458 6.620 -7.065 794 HG21 VAL 105 HG21 VAL 105 -2.656 6.027 -10.557 795 HG22 VAL 105 HG22 VAL 105 -1.631 7.127 -9.636 796 HG23 VAL 105 HG23 VAL 105 -3.333 6.947 -9.213 797 H GLU 106 H GLU 106 -2.473 4.342 -11.763 798 HA GLU 106 HA GLU 106 -5.050 3.302 -11.504 799 HB2 GLU 106 HB2 GLU 106 -5.095 3.202 -13.934 800 HB3 GLU 106 HB3 GLU 106 -4.310 4.684 -13.406 801 HG2 GLU 106 HG2 GLU 106 -2.113 3.487 -13.740 802 HG3 GLU 106 HG3 GLU 106 -3.034 2.218 -14.546 803 H ASP 107 H ASP 107 -1.998 1.713 -12.220 804 HA ASP 107 HA ASP 107 -3.184 -0.813 -12.872 805 HB2 ASP 107 HB2 ASP 107 -0.908 0.008 -13.644 806 HB3 ASP 107 HB3 ASP 107 -0.329 -0.327 -12.015 807 H LEU 108 H LEU 108 -2.070 0.754 -9.969 808 HA LEU 108 HA LEU 108 -1.885 -1.582 -8.357 809 HB2 LEU 108 HB2 LEU 108 -0.712 0.411 -7.703 810 HB3 LEU 108 HB3 LEU 108 -2.202 1.334 -7.662 811 HG LEU 108 HG LEU 108 -2.972 -0.036 -5.748 812 HD11 LEU 108 HD11 LEU 108 -0.282 -1.075 -5.200 813 HD12 LEU 108 HD12 LEU 108 -1.126 -1.853 -6.539 814 HD13 LEU 108 HD13 LEU 108 -1.863 -1.811 -4.937 815 HD21 LEU 108 HD21 LEU 108 -1.888 1.251 -4.211 816 HD22 LEU 108 HD22 LEU 108 -1.433 2.114 -5.680 817 HD23 LEU 108 HD23 LEU 108 -0.303 0.982 -4.937 818 H ILE 109 H ILE 109 -4.370 0.950 -8.640 819 HA ILE 109 HA ILE 109 -6.202 -0.106 -6.828 820 HB ILE 109 HB ILE 109 -6.428 2.144 -7.726 821 HG12 ILE 109 HG12 ILE 109 -8.766 0.318 -8.318 822 HG13 ILE 109 HG13 ILE 109 -8.442 1.181 -6.818 823 HG21 ILE 109 HG21 ILE 109 -5.668 1.568 -10.023 824 HG22 ILE 109 HG22 ILE 109 -7.098 2.600 -9.978 825 HG23 ILE 109 HG23 ILE 109 -7.262 0.879 -10.329 826 HD11 ILE 109 HD11 ILE 109 -9.275 2.338 -9.461 827 HD12 ILE 109 HD12 ILE 109 -8.724 3.313 -8.098 828 HD13 ILE 109 HD13 ILE 109 -10.179 2.327 -7.947 829 H LYS 110 H LYS 110 -5.913 -0.660 -10.329 830 HA LYS 110 HA LYS 110 -8.162 -2.283 -10.647 831 HB2 LYS 110 HB2 LYS 110 -6.534 -1.266 -12.406 832 HB3 LYS 110 HB3 LYS 110 -5.640 -2.766 -12.201 833 HG2 LYS 110 HG2 LYS 110 -7.386 -4.062 -13.052 834 HG3 LYS 110 HG3 LYS 110 -8.566 -2.767 -12.844 835 HD2 LYS 110 HD2 LYS 110 -7.048 -1.482 -14.524 836 HD3 LYS 110 HD3 LYS 110 -6.456 -3.093 -14.938 837 HE2 LYS 110 HE2 LYS 110 -8.173 -3.078 -16.393 838 HE3 LYS 110 HE3 LYS 110 -9.122 -3.522 -14.975 839 HZ1 LYS 110 HZ1 LYS 110 -9.798 -1.289 -14.678 840 HZ2 LYS 110 HZ2 LYS 110 -10.024 -1.637 -16.318 841 HZ3 LYS 110 HZ3 LYS 110 -8.695 -0.714 -15.825 842 H PHE 111 H PHE 111 -4.782 -3.226 -10.042 843 HA PHE 111 HA PHE 111 -5.146 -5.981 -9.977 844 HB2 PHE 111 HB2 PHE 111 -3.023 -4.276 -9.607 845 HB3 PHE 111 HB3 PHE 111 -3.212 -4.987 -8.008 846 HD1 PHE 111 HD1 PHE 111 -2.900 -5.899 -11.597 847 HD2 PHE 111 HD2 PHE 111 -2.307 -7.068 -7.548 848 HE1 PHE 111 HE1 PHE 111 -1.703 -7.910 -12.357 849 HE2 PHE 111 HE2 PHE 111 -1.108 -9.081 -8.301 850 HZ PHE 111 HZ PHE 111 -0.804 -9.503 -10.708 851 H ILE 112 H ILE 112 -5.176 -3.695 -7.242 852 HA ILE 112 HA ILE 112 -5.678 -5.452 -5.180 853 HB ILE 112 HB ILE 112 -6.846 -2.679 -5.466 854 HG12 ILE 112 HG12 ILE 112 -4.389 -3.293 -3.879 855 HG13 ILE 112 HG13 ILE 112 -4.246 -3.158 -5.628 856 HG21 ILE 112 HG21 ILE 112 -6.162 -3.454 -2.784 857 HG22 ILE 112 HG22 ILE 112 -7.285 -4.616 -3.490 858 HG23 ILE 112 HG23 ILE 112 -7.708 -2.906 -3.432 859 HD11 ILE 112 HD11 ILE 112 -5.581 -1.013 -4.032 860 HD12 ILE 112 HD12 ILE 112 -4.830 -0.915 -5.625 861 HD13 ILE 112 HD13 ILE 112 -3.825 -1.081 -4.184 862 H ALA 113 H ALA 113 -7.873 -4.264 -7.624 863 HA ALA 113 HA ALA 113 -10.257 -5.169 -6.315 864 HB1 ALA 113 HB1 ALA 113 -9.575 -3.881 -8.870 865 HB2 ALA 113 HB2 ALA 113 -10.919 -3.582 -7.767 866 HB3 ALA 113 HB3 ALA 113 -10.996 -4.926 -8.906 867 H GLU 114 H GLU 114 -7.903 -6.552 -8.468 868 HA GLU 114 HA GLU 114 -9.559 -8.814 -9.173 869 HB2 GLU 114 HB2 GLU 114 -6.590 -8.533 -9.615 870 HB3 GLU 114 HB3 GLU 114 -7.718 -9.560 -10.490 871 HG2 GLU 114 HG2 GLU 114 -8.756 -7.049 -10.873 872 HG3 GLU 114 HG3 GLU 114 -7.016 -6.768 -10.905 873 H ASN 115 H ASN 115 -6.880 -8.121 -6.982 874 HA ASN 115 HA ASN 115 -6.836 -10.886 -6.063 875 HB2 ASN 115 HB2 ASN 115 -4.949 -10.082 -4.612 876 HB3 ASN 115 HB3 ASN 115 -4.671 -9.898 -6.340 877 HD21 ASN 115 HD21 ASN 115 -3.987 -8.004 -7.013 878 HD22 ASN 115 HD22 ASN 115 -4.096 -6.515 -6.144 879 H GLY 116 H GLY 116 -7.511 -7.643 -4.792 880 HA2 GLY 116 HA2 GLY 116 -8.234 -8.619 -2.189 881 HA3 GLY 116 HA3 GLY 116 -8.453 -6.982 -2.788 882 H LYS 117 H LYS 117 -10.182 -9.118 -1.373 883 HA LYS 117 HA LYS 117 -12.362 -9.514 -3.216 884 HB2 LYS 117 HB2 LYS 117 -13.527 -10.408 -1.159 885 HB3 LYS 117 HB3 LYS 117 -12.047 -11.240 -1.615 886 HG2 LYS 117 HG2 LYS 117 -10.968 -10.632 0.262 887 HG3 LYS 117 HG3 LYS 117 -11.714 -9.033 0.301 888 HD2 LYS 117 HD2 LYS 117 -12.756 -9.942 2.107 889 HD3 LYS 117 HD3 LYS 117 -13.871 -10.492 0.855 890 HE2 LYS 117 HE2 LYS 117 -12.092 -12.506 0.805 891 HE3 LYS 117 HE3 LYS 117 -11.945 -12.019 2.493 892 HZ1 LYS 117 HZ1 LYS 117 -13.676 -13.415 2.726 893 HZ2 LYS 117 HZ2 LYS 117 -14.169 -13.277 1.113 894 HZ3 LYS 117 HZ3 LYS 117 -14.587 -12.078 2.230 895 H TYR 118 H TYR 118 -11.537 -7.288 -0.645 896 HA TYR 118 HA TYR 118 -14.086 -6.155 -0.251 897 HB2 TYR 118 HB2 TYR 118 -11.289 -5.398 0.385 898 HB3 TYR 118 HB3 TYR 118 -12.471 -4.093 0.371 899 HD1 TYR 118 HD1 TYR 118 -12.721 -7.645 1.499 900 HD2 TYR 118 HD2 TYR 118 -12.937 -3.533 2.567 901 HE1 TYR 118 HE1 TYR 118 -13.438 -8.278 3.764 902 HE2 TYR 118 HE2 TYR 118 -13.654 -4.154 4.836 903 HH TYR 118 HH TYR 118 -14.730 -7.215 5.651 904 H LYS 119 H LYS 119 -11.603 -5.609 -2.643 905 HA LYS 119 HA LYS 119 -13.156 -3.386 -3.774 906 HB2 LYS 119 HB2 LYS 119 -10.376 -4.217 -4.588 907 HB3 LYS 119 HB3 LYS 119 -11.184 -2.688 -4.905 908 HG2 LYS 119 HG2 LYS 119 -11.114 -3.051 -2.099 909 HG3 LYS 119 HG3 LYS 119 -9.504 -3.402 -2.729 910 HD2 LYS 119 HD2 LYS 119 -9.549 -1.079 -2.257 911 HD3 LYS 119 HD3 LYS 119 -9.666 -1.233 -4.011 912 HE2 LYS 119 HE2 LYS 119 -11.227 0.440 -2.959 913 HE3 LYS 119 HE3 LYS 119 -11.989 -0.772 -3.988 914 HZ1 LYS 119 HZ1 LYS 119 -13.041 -1.719 -2.248 915 HZ2 LYS 119 HZ2 LYS 119 -12.866 -0.182 -1.565 916 HZ3 LYS 119 HZ3 LYS 119 -11.784 -1.416 -1.156 917 H ALA 120 H ALA 120 -13.884 -6.213 -4.027 918 HA ALA 120 HA ALA 120 -13.935 -6.331 -6.958 919 HB1 ALA 120 HB1 ALA 120 -12.195 -7.896 -5.862 920 HB2 ALA 120 HB2 ALA 120 -13.278 -8.554 -7.089 921 HB3 ALA 120 HB3 ALA 120 -13.596 -8.853 -5.380 922 H ALA 121 H ALA 121 -15.743 -7.426 -7.844 923 HA ALA 121 HA ALA 121 -17.947 -7.972 -7.984 924 HB1 ALA 121 HB1 ALA 121 -17.823 -8.929 -5.143 925 HB2 ALA 121 HB2 ALA 121 -17.046 -9.818 -6.453 926 HB3 ALA 121 HB3 ALA 121 -18.789 -9.552 -6.480 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -1.638 17.097 11.732 2 H2 GLY 1 2H GLY 1 -2.154 18.643 12.183 3 H3 GLY 1 3H GLY 1 -2.345 18.122 10.586 4 HA2 GLY 1 HA3 GLY 1 -4.287 18.045 12.412 5 HA3 GLY 1 HA2 GLY 1 -4.213 16.993 11.007 6 HA PRO 2 HA PRO 2 -3.991 14.818 15.391 7 HB2 PRO 2 HB2 PRO 2 -6.746 14.052 14.547 8 HB3 PRO 2 HB3 PRO 2 -6.119 14.397 16.163 9 HG2 PRO 2 HG2 PRO 2 -7.629 16.179 14.888 10 HG3 PRO 2 HG3 PRO 2 -6.240 16.694 15.864 11 HD2 PRO 2 HD2 PRO 2 -6.515 16.518 12.897 12 HD3 PRO 2 HD3 PRO 2 -5.629 17.700 13.882 13 H LEU 3 H LEU 3 -5.682 13.852 12.404 14 HA LEU 3 HA LEU 3 -4.338 11.239 12.571 15 HB2 LEU 3 HB2 LEU 3 -6.084 10.438 11.028 16 HB3 LEU 3 HB3 LEU 3 -6.737 11.042 12.539 17 HG LEU 3 HG LEU 3 -6.806 13.257 10.866 18 HD11 LEU 3 HD11 LEU 3 -8.299 11.987 9.028 19 HD12 LEU 3 HD12 LEU 3 -7.056 10.769 9.307 20 HD13 LEU 3 HD13 LEU 3 -6.599 12.393 8.795 21 HD21 LEU 3 HD21 LEU 3 -8.966 11.260 11.533 22 HD22 LEU 3 HD22 LEU 3 -9.241 12.884 10.903 23 HD23 LEU 3 HD23 LEU 3 -8.501 12.667 12.489 24 H GLY 4 H GLY 4 -2.503 11.272 11.435 25 HA2 GLY 4 HA2 GLY 4 -1.405 11.076 9.345 26 HA3 GLY 4 HA3 GLY 4 -2.651 12.084 8.625 27 H SER 5 H SER 5 0.286 12.064 10.531 28 HA SER 5 HA SER 5 0.460 14.926 10.712 29 HB2 SER 5 HB2 SER 5 1.482 13.308 12.365 30 HB3 SER 5 HB3 SER 5 2.689 12.929 11.136 31 HG SER 5 HG SER 5 3.061 15.298 11.120 32 H GLU 6 H GLU 6 1.862 12.412 8.671 33 HA GLU 6 HA GLU 6 3.225 14.470 7.084 34 HB2 GLU 6 HB2 GLU 6 3.583 11.502 7.360 35 HB3 GLU 6 HB3 GLU 6 4.220 12.352 5.959 36 HG2 GLU 6 HG2 GLU 6 6.041 12.749 7.150 37 HG3 GLU 6 HG3 GLU 6 5.075 13.864 8.116 38 H GLY 7 H GLY 7 0.267 13.701 7.071 39 HA2 GLY 7 HA2 GLY 7 -0.925 14.317 4.977 40 HA3 GLY 7 HA3 GLY 7 0.091 13.128 4.176 41 HA PRO 8 HA PRO 8 -4.180 11.468 5.755 42 HB2 PRO 8 HB2 PRO 8 -4.319 10.900 2.830 43 HB3 PRO 8 HB3 PRO 8 -5.601 11.389 3.943 44 HG2 PRO 8 HG2 PRO 8 -4.557 13.140 2.235 45 HG3 PRO 8 HG3 PRO 8 -4.979 13.625 3.888 46 HD2 PRO 8 HD2 PRO 8 -2.298 13.076 2.697 47 HD3 PRO 8 HD3 PRO 8 -2.768 14.275 3.919 48 H VAL 9 H VAL 9 -1.582 10.436 3.646 49 HA VAL 9 HA VAL 9 -2.143 7.680 3.583 50 HB VAL 9 HB VAL 9 0.651 8.801 3.550 51 HG11 VAL 9 HG11 VAL 9 -0.687 6.431 2.260 52 HG12 VAL 9 HG12 VAL 9 0.568 6.418 3.498 53 HG13 VAL 9 HG13 VAL 9 0.945 6.971 1.867 54 HG21 VAL 9 HG21 VAL 9 0.140 8.870 0.977 55 HG22 VAL 9 HG22 VAL 9 -0.267 10.241 2.009 56 HG23 VAL 9 HG23 VAL 9 -1.520 9.099 1.525 57 H THR 10 H THR 10 -1.332 5.954 4.798 58 HA THR 10 HA THR 10 -0.626 6.668 7.550 59 HB THR 10 HB THR 10 -1.611 4.045 6.410 60 HG1 THR 10 HG1 THR 10 -2.907 6.157 7.766 61 HG21 THR 10 HG21 THR 10 -0.371 4.544 8.886 62 HG22 THR 10 HG22 THR 10 -1.187 3.078 8.345 63 HG23 THR 10 HG23 THR 10 -2.093 4.328 9.197 64 H VAL 11 H VAL 11 1.159 5.819 8.589 65 HA VAL 11 HA VAL 11 3.330 5.035 6.846 66 HB VAL 11 HB VAL 11 3.403 5.349 9.847 67 HG11 VAL 11 HG11 VAL 11 5.746 5.516 9.629 68 HG12 VAL 11 HG12 VAL 11 5.649 5.680 7.876 69 HG13 VAL 11 HG13 VAL 11 5.274 4.135 8.639 70 HG21 VAL 11 HG21 VAL 11 4.517 7.614 9.004 71 HG22 VAL 11 HG22 VAL 11 2.788 7.475 9.322 72 HG23 VAL 11 HG23 VAL 11 3.393 7.361 7.669 73 H VAL 12 H VAL 12 4.446 3.108 6.894 74 HA VAL 12 HA VAL 12 3.171 0.923 8.413 75 HB VAL 12 HB VAL 12 4.721 0.330 5.937 76 HG11 VAL 12 HG11 VAL 12 3.672 -1.663 6.033 77 HG12 VAL 12 HG12 VAL 12 2.143 -0.956 6.552 78 HG13 VAL 12 HG13 VAL 12 3.436 -1.219 7.722 79 HG21 VAL 12 HG21 VAL 12 2.255 0.476 4.886 80 HG22 VAL 12 HG22 VAL 12 3.429 1.787 4.781 81 HG23 VAL 12 HG23 VAL 12 2.174 1.825 6.019 82 H VAL 13 H VAL 13 4.500 0.697 10.142 83 HA VAL 13 HA VAL 13 7.396 0.661 9.741 84 HB VAL 13 HB VAL 13 5.987 0.291 12.378 85 HG11 VAL 13 HG11 VAL 13 8.750 0.844 11.469 86 HG12 VAL 13 HG12 VAL 13 8.173 -0.110 12.836 87 HG13 VAL 13 HG13 VAL 13 8.212 1.650 12.942 88 HG21 VAL 13 HG21 VAL 13 5.047 2.309 11.581 89 HG22 VAL 13 HG22 VAL 13 6.590 2.855 10.924 90 HG23 VAL 13 HG23 VAL 13 6.353 2.778 12.670 91 H ALA 14 H ALA 14 8.653 -1.083 10.848 92 HA ALA 14 HA ALA 14 7.988 -3.597 9.868 93 HB1 ALA 14 HB1 ALA 14 10.219 -2.533 10.916 94 HB2 ALA 14 HB2 ALA 14 9.986 -4.265 10.680 95 HB3 ALA 14 HB3 ALA 14 9.706 -3.545 12.266 96 H LYS 15 H LYS 15 7.436 -2.201 13.064 97 HA LYS 15 HA LYS 15 6.268 -4.658 14.063 98 HB2 LYS 15 HB2 LYS 15 7.257 -2.167 15.197 99 HB3 LYS 15 HB3 LYS 15 5.727 -2.657 15.913 100 HG2 LYS 15 HG2 LYS 15 6.906 -4.983 16.107 101 HG3 LYS 15 HG3 LYS 15 8.376 -4.014 15.983 102 HD2 LYS 15 HD2 LYS 15 6.202 -3.316 17.932 103 HD3 LYS 15 HD3 LYS 15 7.440 -4.510 18.327 104 HE2 LYS 15 HE2 LYS 15 9.184 -2.876 17.992 105 HE3 LYS 15 HE3 LYS 15 8.006 -1.684 17.442 106 HZ1 LYS 15 HZ1 LYS 15 7.361 -1.227 19.534 107 HZ2 LYS 15 HZ2 LYS 15 8.889 -1.827 19.942 108 HZ3 LYS 15 HZ3 LYS 15 7.528 -2.824 20.071 109 H ASN 16 H ASN 16 5.157 -2.099 12.210 110 HA ASN 16 HA ASN 16 2.431 -2.288 13.281 111 HB2 ASN 16 HB2 ASN 16 3.883 -0.083 12.545 112 HB3 ASN 16 HB3 ASN 16 2.912 -0.375 11.105 113 HD21 ASN 16 HD21 ASN 16 0.552 -0.809 11.582 114 HD22 ASN 16 HD22 ASN 16 -0.193 0.212 12.759 115 H TYR 17 H TYR 17 4.248 -2.503 10.246 116 HA TYR 17 HA TYR 17 2.188 -3.034 8.495 117 HB2 TYR 17 HB2 TYR 17 3.843 -3.344 7.009 118 HB3 TYR 17 HB3 TYR 17 4.934 -2.969 8.335 119 HD1 TYR 17 HD2 TYR 17 3.350 -5.740 6.466 120 HD2 TYR 17 HD1 TYR 17 6.414 -4.613 9.194 121 HE1 TYR 17 HE2 TYR 17 4.369 -7.964 6.226 122 HE2 TYR 17 HE1 TYR 17 7.449 -6.835 8.956 123 HH TYR 17 HH TYR 17 7.453 -8.681 7.143 124 H ASN 18 H ASN 18 4.056 -5.405 10.382 125 HA ASN 18 HA ASN 18 2.898 -7.725 9.472 126 HB2 ASN 18 HB2 ASN 18 3.709 -8.785 11.420 127 HB3 ASN 18 HB3 ASN 18 4.812 -7.445 11.132 128 HD21 ASN 18 HD21 ASN 18 3.718 -5.312 12.206 129 HD22 ASN 18 HD22 ASN 18 3.391 -5.526 13.884 130 H GLU 19 H GLU 19 1.588 -5.422 11.779 131 HA GLU 19 HA GLU 19 -0.572 -7.096 12.616 132 HB2 GLU 19 HB2 GLU 19 0.443 -5.174 13.920 133 HB3 GLU 19 HB3 GLU 19 -0.437 -4.095 12.846 134 HG2 GLU 19 HG2 GLU 19 -1.590 -4.479 14.980 135 HG3 GLU 19 HG3 GLU 19 -2.540 -4.991 13.586 136 H ILE 20 H ILE 20 -0.555 -4.090 10.682 137 HA ILE 20 HA ILE 20 -3.228 -4.143 9.942 138 HB ILE 20 HB ILE 20 -2.580 -2.703 8.030 139 HG12 ILE 20 HG12 ILE 20 0.222 -3.349 8.982 140 HG13 ILE 20 HG13 ILE 20 -0.468 -3.697 7.399 141 HG21 ILE 20 HG21 ILE 20 -2.082 -0.862 9.352 142 HG22 ILE 20 HG22 ILE 20 -1.061 -1.796 10.445 143 HG23 ILE 20 HG23 ILE 20 -2.814 -1.985 10.498 144 HD11 ILE 20 HD11 ILE 20 0.286 -1.762 6.661 145 HD12 ILE 20 HD12 ILE 20 0.935 -1.393 8.260 146 HD13 ILE 20 HD13 ILE 20 -0.712 -0.917 7.845 147 H VAL 21 H VAL 21 -0.451 -5.491 8.194 148 HA VAL 21 HA VAL 21 -1.889 -6.415 5.959 149 HB VAL 21 HB VAL 21 0.068 -7.757 5.436 150 HG11 VAL 21 HG11 VAL 21 0.892 -5.102 6.610 151 HG12 VAL 21 HG12 VAL 21 0.121 -5.322 5.039 152 HG13 VAL 21 HG13 VAL 21 1.723 -5.997 5.337 153 HG21 VAL 21 HG21 VAL 21 0.929 -8.788 7.264 154 HG22 VAL 21 HG22 VAL 21 0.610 -7.417 8.325 155 HG23 VAL 21 HG23 VAL 21 2.003 -7.389 7.245 156 H LEU 22 H LEU 22 -1.120 -7.921 9.060 157 HA LEU 22 HA LEU 22 -2.117 -10.497 8.290 158 HB2 LEU 22 HB2 LEU 22 -1.307 -9.280 10.915 159 HB3 LEU 22 HB3 LEU 22 -2.005 -10.885 10.822 160 HG LEU 22 HG LEU 22 0.532 -10.023 9.428 161 HD11 LEU 22 HD11 LEU 22 0.575 -12.043 11.575 162 HD12 LEU 22 HD12 LEU 22 0.296 -10.377 12.080 163 HD13 LEU 22 HD13 LEU 22 1.746 -10.790 11.166 164 HD21 LEU 22 HD21 LEU 22 -0.576 -11.775 8.207 165 HD22 LEU 22 HD22 LEU 22 -0.821 -12.705 9.686 166 HD23 LEU 22 HD23 LEU 22 0.809 -12.457 9.060 167 H ASP 23 H ASP 23 -3.625 -7.603 9.143 168 HA ASP 23 HA ASP 23 -5.866 -8.693 10.554 169 HB2 ASP 23 HB2 ASP 23 -5.011 -6.043 9.592 170 HB3 ASP 23 HB3 ASP 23 -6.755 -6.289 9.610 171 H ASP 24 H ASP 24 -7.202 -10.060 9.574 172 HA ASP 24 HA ASP 24 -7.681 -9.978 6.740 173 HB2 ASP 24 HB2 ASP 24 -9.155 -11.907 7.164 174 HB3 ASP 24 HB3 ASP 24 -7.569 -12.124 7.897 175 H THR 25 H THR 25 -9.027 -8.397 9.412 176 HA THR 25 HA THR 25 -11.676 -8.149 8.229 177 HB THR 25 HB THR 25 -11.550 -8.459 10.636 178 HG1 THR 25 HG1 THR 25 -12.299 -5.788 10.065 179 HG21 THR 25 HG21 THR 25 -9.430 -7.510 11.195 180 HG22 THR 25 HG22 THR 25 -10.687 -6.650 12.085 181 HG23 THR 25 HG23 THR 25 -9.953 -5.913 10.660 182 H LYS 26 H LYS 26 -8.943 -6.829 7.340 183 HA LYS 26 HA LYS 26 -10.178 -4.463 6.315 184 HB2 LYS 26 HB2 LYS 26 -8.651 -4.291 8.771 185 HB3 LYS 26 HB3 LYS 26 -7.919 -3.315 7.505 186 HG2 LYS 26 HG2 LYS 26 -9.600 -1.823 7.496 187 HG3 LYS 26 HG3 LYS 26 -10.836 -3.050 7.780 188 HD2 LYS 26 HD2 LYS 26 -9.085 -2.745 10.068 189 HD3 LYS 26 HD3 LYS 26 -9.847 -1.217 9.624 190 HE2 LYS 26 HE2 LYS 26 -11.894 -1.912 10.247 191 HE3 LYS 26 HE3 LYS 26 -11.644 -3.538 9.611 192 HZ1 LYS 26 HZ1 LYS 26 -10.899 -2.456 12.252 193 HZ2 LYS 26 HZ2 LYS 26 -10.112 -3.816 11.627 194 HZ3 LYS 26 HZ3 LYS 26 -11.782 -3.852 11.886 195 H ASP 27 H ASP 27 -9.249 -3.868 4.442 196 HA ASP 27 HA ASP 27 -7.001 -5.423 3.490 197 HB2 ASP 27 HB2 ASP 27 -9.135 -3.796 2.297 198 HB3 ASP 27 HB3 ASP 27 -7.579 -3.624 1.490 199 H VAL 28 H VAL 28 -4.974 -4.676 3.017 200 HA VAL 28 HA VAL 28 -4.412 -1.840 3.546 201 HB VAL 28 HB VAL 28 -2.644 -4.079 4.527 202 HG11 VAL 28 HG11 VAL 28 -2.434 -1.436 5.749 203 HG12 VAL 28 HG12 VAL 28 -2.037 -1.453 4.032 204 HG13 VAL 28 HG13 VAL 28 -1.173 -2.511 5.147 205 HG21 VAL 28 HG21 VAL 28 -3.510 -3.826 6.690 206 HG22 VAL 28 HG22 VAL 28 -4.931 -3.884 5.649 207 HG23 VAL 28 HG23 VAL 28 -4.357 -2.337 6.273 208 H LEU 29 H LEU 29 -2.858 -0.907 2.292 209 HA LEU 29 HA LEU 29 -1.543 -2.626 0.292 210 HB2 LEU 29 HB2 LEU 29 -2.205 0.193 -0.393 211 HB3 LEU 29 HB3 LEU 29 -2.069 -1.208 -1.437 212 HG LEU 29 HG LEU 29 -4.366 -0.860 0.478 213 HD11 LEU 29 HD11 LEU 29 -4.956 0.906 -0.769 214 HD12 LEU 29 HD12 LEU 29 -5.410 -0.305 -1.967 215 HD13 LEU 29 HD13 LEU 29 -3.840 0.492 -2.070 216 HD21 LEU 29 HD21 LEU 29 -3.838 -2.593 -1.922 217 HD22 LEU 29 HD22 LEU 29 -5.447 -2.365 -1.238 218 HD23 LEU 29 HD23 LEU 29 -4.171 -3.096 -0.265 219 H ILE 30 H ILE 30 0.511 -2.691 1.007 220 HA ILE 30 HA ILE 30 1.783 -0.198 1.894 221 HB ILE 30 HB ILE 30 1.978 -2.092 3.429 222 HG12 ILE 30 HG12 ILE 30 4.566 -1.313 2.068 223 HG13 ILE 30 HG13 ILE 30 3.795 -0.484 3.417 224 HG21 ILE 30 HG21 ILE 30 2.277 -3.604 1.116 225 HG22 ILE 30 HG22 ILE 30 2.401 -4.176 2.779 226 HG23 ILE 30 HG23 ILE 30 3.851 -3.682 1.907 227 HD11 ILE 30 HD11 ILE 30 5.160 -1.670 4.707 228 HD12 ILE 30 HD12 ILE 30 5.563 -2.786 3.402 229 HD13 ILE 30 HD13 ILE 30 4.106 -3.042 4.363 230 H GLU 31 H GLU 31 3.222 0.825 0.646 231 HA GLU 31 HA GLU 31 4.321 -0.638 -1.666 232 HB2 GLU 31 HB2 GLU 31 2.685 1.173 -2.223 233 HB3 GLU 31 HB3 GLU 31 3.796 2.332 -1.507 234 HG2 GLU 31 HG2 GLU 31 4.697 0.510 -3.699 235 HG3 GLU 31 HG3 GLU 31 3.805 1.988 -4.059 236 H PHE 32 H PHE 32 6.442 -0.878 -1.708 237 HA PHE 32 HA PHE 32 8.091 0.645 0.163 238 HB2 PHE 32 HB2 PHE 32 8.450 -1.925 -1.343 239 HB3 PHE 32 HB3 PHE 32 9.856 -1.070 -0.717 240 HD1 PHE 32 HD2 PHE 32 9.840 -0.483 1.788 241 HD2 PHE 32 HD1 PHE 32 7.269 -3.376 0.016 242 HE1 PHE 32 HE2 PHE 32 9.484 -1.514 3.994 243 HE2 PHE 32 HE1 PHE 32 6.908 -4.411 2.218 244 HZ PHE 32 HZ PHE 32 8.016 -3.481 4.211 245 H TYR 33 H TYR 33 9.140 2.380 -0.517 246 HA TYR 33 HA TYR 33 10.274 2.407 -3.217 247 HB2 TYR 33 HB2 TYR 33 9.468 4.656 -3.652 248 HB3 TYR 33 HB3 TYR 33 8.102 3.601 -3.309 249 HD1 TYR 33 HD2 TYR 33 7.270 3.602 -0.827 250 HD2 TYR 33 HD1 TYR 33 9.646 6.684 -2.547 251 HE1 TYR 33 HE2 TYR 33 6.513 5.155 0.923 252 HE2 TYR 33 HE1 TYR 33 8.897 8.244 -0.801 253 HH TYR 33 HH TYR 33 6.642 8.312 0.763 254 H ALA 34 H ALA 34 11.673 4.498 -3.447 255 HA ALA 34 HA ALA 34 12.962 5.229 -0.930 256 HB1 ALA 34 HB1 ALA 34 15.188 4.855 -2.374 257 HB2 ALA 34 HB2 ALA 34 14.182 3.576 -3.054 258 HB3 ALA 34 HB3 ALA 34 14.503 3.617 -1.321 259 HA PRO 35 HA PRO 35 13.091 9.189 -2.894 260 HB2 PRO 35 HB2 PRO 35 15.101 10.358 -1.486 261 HB3 PRO 35 HB3 PRO 35 13.486 10.091 -0.820 262 HG2 PRO 35 HG2 PRO 35 15.981 8.480 -0.443 263 HG3 PRO 35 HG3 PRO 35 14.764 8.957 0.756 264 HD2 PRO 35 HD2 PRO 35 14.828 6.487 -0.349 265 HD3 PRO 35 HD3 PRO 35 13.313 7.274 0.138 266 H TRP 36 H TRP 36 16.297 7.750 -2.286 267 HA TRP 36 HA TRP 36 17.495 9.148 -4.491 268 HB2 TRP 36 HB2 TRP 36 19.466 7.641 -3.964 269 HB3 TRP 36 HB3 TRP 36 18.930 8.688 -2.654 270 HD1 TRP 36 HD1 TRP 36 18.347 5.015 -3.789 271 HE1 TRP 36 HE1 TRP 36 18.165 3.559 -1.675 272 HE3 TRP 36 HE3 TRP 36 18.737 8.679 -0.244 273 HZ2 TRP 36 HZ2 TRP 36 18.184 3.917 1.126 274 HZ3 TRP 36 HZ3 TRP 36 18.645 8.038 2.129 275 HH2 TRP 36 HH2 TRP 36 18.373 5.706 2.799 276 H CYS 37 H CYS 37 15.445 6.558 -4.387 277 HA CYS 37 HA CYS 37 16.475 4.596 -6.013 278 HB2 CYS 37 HB2 CYS 37 14.323 4.298 -5.002 279 HB3 CYS 37 HB3 CYS 37 13.669 5.701 -5.840 280 H GLY 38 H GLY 38 14.846 7.593 -7.022 281 HA2 GLY 38 HA2 GLY 38 15.468 8.842 -8.944 282 HA3 GLY 38 HA3 GLY 38 16.229 7.398 -9.602 283 H HIS 39 H HIS 39 14.106 5.600 -9.188 284 HA HIS 39 HA HIS 39 12.159 6.604 -11.152 285 HB2 HIS 39 HB2 HIS 39 13.772 4.437 -11.415 286 HB3 HIS 39 HB3 HIS 39 12.352 3.688 -10.691 287 HD1 HIS 39 HD1 HIS 39 13.429 3.381 -13.712 288 HD2 HIS 39 HD2 HIS 39 10.180 5.624 -12.418 289 HE1 HIS 39 HE1 HIS 39 11.935 3.620 -15.721 290 HE2 HIS 39 HE2 HIS 39 10.017 5.054 -14.936 291 H CYS 40 H CYS 40 12.472 6.027 -7.930 292 HA CYS 40 HA CYS 40 9.707 5.086 -7.608 293 HB2 CYS 40 HB2 CYS 40 11.829 5.245 -5.467 294 HB3 CYS 40 HB3 CYS 40 10.293 4.393 -5.394 295 H LYS 41 H LYS 41 11.817 7.780 -7.154 296 HA LYS 41 HA LYS 41 10.671 9.203 -5.107 297 HB2 LYS 41 HB2 LYS 41 12.597 9.728 -6.933 298 HB3 LYS 41 HB3 LYS 41 11.325 10.796 -7.509 299 HG2 LYS 41 HG2 LYS 41 11.229 11.446 -4.940 300 HG3 LYS 41 HG3 LYS 41 12.906 10.899 -5.007 301 HD2 LYS 41 HD2 LYS 41 13.262 13.057 -5.601 302 HD3 LYS 41 HD3 LYS 41 12.860 12.433 -7.202 303 HE2 LYS 41 HE2 LYS 41 10.573 13.280 -5.552 304 HE3 LYS 41 HE3 LYS 41 11.662 14.570 -6.060 305 HZ1 LYS 41 HZ1 LYS 41 9.721 13.970 -7.579 306 HZ2 LYS 41 HZ2 LYS 41 10.621 12.600 -7.999 307 HZ3 LYS 41 HZ3 LYS 41 11.246 14.144 -8.292 308 H ALA 42 H ALA 42 9.365 8.571 -8.264 309 HA ALA 42 HA ALA 42 7.338 10.610 -8.123 310 HB1 ALA 42 HB1 ALA 42 6.405 9.211 -10.100 311 HB2 ALA 42 HB2 ALA 42 7.957 8.379 -10.015 312 HB3 ALA 42 HB3 ALA 42 7.904 10.116 -10.312 313 H LEU 43 H LEU 43 7.654 7.263 -7.225 314 HA LEU 43 HA LEU 43 4.936 6.573 -7.041 315 HB2 LEU 43 HB2 LEU 43 7.376 5.327 -6.569 316 HB3 LEU 43 HB3 LEU 43 6.598 5.336 -4.998 317 HG LEU 43 HG LEU 43 6.102 3.264 -6.122 318 HD11 LEU 43 HD11 LEU 43 4.286 3.765 -4.818 319 HD12 LEU 43 HD12 LEU 43 3.522 3.641 -6.404 320 HD13 LEU 43 HD13 LEU 43 3.897 5.226 -5.727 321 HD21 LEU 43 HD21 LEU 43 6.230 3.423 -8.370 322 HD22 LEU 43 HD22 LEU 43 5.579 5.062 -8.401 323 HD23 LEU 43 HD23 LEU 43 4.491 3.684 -8.231 324 H ALA 44 H ALA 44 7.045 8.368 -4.926 325 HA ALA 44 HA ALA 44 5.555 8.200 -2.551 326 HB1 ALA 44 HB1 ALA 44 7.243 9.400 -1.751 327 HB2 ALA 44 HB2 ALA 44 6.859 10.755 -2.812 328 HB3 ALA 44 HB3 ALA 44 7.905 9.455 -3.384 329 HA PRO 45 HA PRO 45 3.514 12.453 -3.756 330 HB2 PRO 45 HB2 PRO 45 3.638 13.044 -6.449 331 HB3 PRO 45 HB3 PRO 45 4.711 13.722 -5.221 332 HG2 PRO 45 HG2 PRO 45 5.178 11.446 -7.099 333 HG3 PRO 45 HG3 PRO 45 6.292 12.728 -6.589 334 HD2 PRO 45 HD2 PRO 45 6.433 10.253 -5.564 335 HD3 PRO 45 HD3 PRO 45 6.765 11.688 -4.572 336 H LYS 46 H LYS 46 3.563 9.910 -6.223 337 HA LYS 46 HA LYS 46 0.887 10.231 -7.068 338 HB2 LYS 46 HB2 LYS 46 2.996 8.753 -7.936 339 HB3 LYS 46 HB3 LYS 46 2.019 7.506 -7.175 340 HG2 LYS 46 HG2 LYS 46 1.473 7.636 -9.508 341 HG3 LYS 46 HG3 LYS 46 0.101 8.208 -8.558 342 HD2 LYS 46 HD2 LYS 46 0.137 9.948 -9.984 343 HD3 LYS 46 HD3 LYS 46 1.456 10.525 -8.963 344 HE2 LYS 46 HE2 LYS 46 2.960 9.120 -10.531 345 HE3 LYS 46 HE3 LYS 46 1.581 9.165 -11.629 346 HZ1 LYS 46 HZ1 LYS 46 3.102 11.478 -10.562 347 HZ2 LYS 46 HZ2 LYS 46 1.648 11.630 -11.413 348 HZ3 LYS 46 HZ3 LYS 46 3.006 10.966 -12.172 349 H TYR 47 H TYR 47 2.345 8.575 -4.373 350 HA TYR 47 HA TYR 47 -0.011 7.044 -3.738 351 HB2 TYR 47 HB2 TYR 47 2.709 6.976 -2.991 352 HB3 TYR 47 HB3 TYR 47 1.804 7.290 -1.515 353 HD1 TYR 47 HD2 TYR 47 2.375 4.896 -4.242 354 HD2 TYR 47 HD1 TYR 47 0.330 5.623 -0.582 355 HE1 TYR 47 HE2 TYR 47 1.807 2.508 -4.091 356 HE2 TYR 47 HE1 TYR 47 -0.243 3.238 -0.421 357 HH TYR 47 HH TYR 47 0.811 1.023 -1.361 358 H GLU 48 H GLU 48 1.287 10.160 -2.941 359 HA GLU 48 HA GLU 48 -0.213 10.586 -0.562 360 HB2 GLU 48 HB2 GLU 48 1.392 12.277 -2.414 361 HB3 GLU 48 HB3 GLU 48 0.247 13.090 -1.356 362 HG2 GLU 48 HG2 GLU 48 2.142 11.105 -0.201 363 HG3 GLU 48 HG3 GLU 48 2.719 12.719 -0.614 364 H GLU 49 H GLU 49 -0.794 11.146 -3.978 365 HA GLU 49 HA GLU 49 -3.172 12.682 -3.616 366 HB2 GLU 49 HB2 GLU 49 -1.527 12.272 -5.719 367 HB3 GLU 49 HB3 GLU 49 -2.822 11.155 -6.128 368 HG2 GLU 49 HG2 GLU 49 -4.364 13.191 -5.646 369 HG3 GLU 49 HG3 GLU 49 -2.889 14.126 -5.888 370 H LEU 50 H LEU 50 -2.603 9.316 -4.654 371 HA LEU 50 HA LEU 50 -5.301 8.560 -4.749 372 HB2 LEU 50 HB2 LEU 50 -3.681 7.183 -5.817 373 HB3 LEU 50 HB3 LEU 50 -2.775 6.975 -4.331 374 HG LEU 50 HG LEU 50 -4.624 5.635 -3.399 375 HD11 LEU 50 HD11 LEU 50 -6.611 6.197 -4.335 376 HD12 LEU 50 HD12 LEU 50 -6.219 4.820 -5.365 377 HD13 LEU 50 HD13 LEU 50 -5.913 6.461 -5.933 378 HD21 LEU 50 HD21 LEU 50 -2.705 4.834 -5.111 379 HD22 LEU 50 HD22 LEU 50 -4.143 4.297 -5.979 380 HD23 LEU 50 HD23 LEU 50 -3.846 3.737 -4.333 381 H GLY 51 H GLY 51 -3.093 8.888 -2.081 382 HA2 GLY 51 HA2 GLY 51 -4.495 7.283 -0.208 383 HA3 GLY 51 HA3 GLY 51 -3.332 8.542 0.178 384 H ALA 52 H ALA 52 -4.514 10.797 -0.781 385 HA ALA 52 HA ALA 52 -6.456 11.337 1.219 386 HB1 ALA 52 HB1 ALA 52 -6.155 13.513 0.693 387 HB2 ALA 52 HB2 ALA 52 -6.219 13.216 -1.045 388 HB3 ALA 52 HB3 ALA 52 -4.739 12.882 -0.147 389 H LEU 53 H LEU 53 -6.640 10.398 -2.127 390 HA LEU 53 HA LEU 53 -9.376 11.172 -2.493 391 HB2 LEU 53 HB2 LEU 53 -7.247 10.128 -4.104 392 HB3 LEU 53 HB3 LEU 53 -8.681 9.149 -4.346 393 HG LEU 53 HG LEU 53 -9.938 11.285 -4.823 394 HD11 LEU 53 HD11 LEU 53 -8.230 13.085 -5.684 395 HD12 LEU 53 HD12 LEU 53 -7.187 12.358 -4.462 396 HD13 LEU 53 HD13 LEU 53 -8.741 13.050 -3.996 397 HD21 LEU 53 HD21 LEU 53 -7.768 11.125 -6.827 398 HD22 LEU 53 HD22 LEU 53 -9.518 11.060 -7.039 399 HD23 LEU 53 HD23 LEU 53 -8.644 9.635 -6.475 400 H TYR 54 H TYR 54 -7.848 7.944 -2.462 401 HA TYR 54 HA TYR 54 -10.205 6.482 -2.214 402 HB2 TYR 54 HB2 TYR 54 -7.484 5.903 -2.367 403 HB3 TYR 54 HB3 TYR 54 -7.982 5.225 -0.821 404 HD1 TYR 54 HD2 TYR 54 -9.753 5.477 -4.100 405 HD2 TYR 54 HD1 TYR 54 -8.174 2.932 -1.078 406 HE1 TYR 54 HE2 TYR 54 -10.685 3.523 -5.266 407 HE2 TYR 54 HE1 TYR 54 -9.101 0.972 -2.236 408 HH TYR 54 HH TYR 54 -10.369 1.145 -5.419 409 H ALA 55 H ALA 55 -8.314 8.146 0.194 410 HA ALA 55 HA ALA 55 -9.435 6.859 2.471 411 HB1 ALA 55 HB1 ALA 55 -8.075 9.539 2.215 412 HB2 ALA 55 HB2 ALA 55 -7.306 8.004 2.619 413 HB3 ALA 55 HB3 ALA 55 -8.459 8.734 3.736 414 H LYS 56 H LYS 56 -10.316 9.670 0.558 415 HA LYS 56 HA LYS 56 -12.312 10.612 2.376 416 HB2 LYS 56 HB2 LYS 56 -11.018 11.728 0.269 417 HB3 LYS 56 HB3 LYS 56 -12.559 11.331 -0.479 418 HG2 LYS 56 HG2 LYS 56 -13.377 12.486 1.839 419 HG3 LYS 56 HG3 LYS 56 -11.894 13.383 1.502 420 HD2 LYS 56 HD2 LYS 56 -13.939 12.937 -0.644 421 HD3 LYS 56 HD3 LYS 56 -14.128 14.246 0.525 422 HE2 LYS 56 HE2 LYS 56 -13.016 15.270 -1.238 423 HE3 LYS 56 HE3 LYS 56 -11.713 14.872 -0.119 424 HZ1 LYS 56 HZ1 LYS 56 -11.660 14.269 -2.704 425 HZ2 LYS 56 HZ2 LYS 56 -12.348 12.847 -2.102 426 HZ3 LYS 56 HZ3 LYS 56 -10.845 13.367 -1.528 427 H SER 57 H SER 57 -12.231 8.344 -0.266 428 HA SER 57 HA SER 57 -14.939 8.224 -0.923 429 HB2 SER 57 HB2 SER 57 -12.654 6.874 -1.698 430 HB3 SER 57 HB3 SER 57 -13.622 5.611 -0.938 431 HG SER 57 HG SER 57 -15.385 6.492 -2.317 432 H GLU 58 H GLU 58 -15.983 5.801 -0.526 433 HA GLU 58 HA GLU 58 -16.493 5.792 2.354 434 HB2 GLU 58 HB2 GLU 58 -18.491 4.462 1.781 435 HB3 GLU 58 HB3 GLU 58 -18.449 6.003 0.934 436 HG2 GLU 58 HG2 GLU 58 -18.370 5.035 -1.075 437 HG3 GLU 58 HG3 GLU 58 -17.216 3.811 -0.548 438 H PHE 59 H PHE 59 -14.070 4.611 1.239 439 HA PHE 59 HA PHE 59 -14.471 1.862 2.201 440 HB2 PHE 59 HB2 PHE 59 -12.686 2.663 -0.107 441 HB3 PHE 59 HB3 PHE 59 -12.881 1.036 0.536 442 HD1 PHE 59 HD1 PHE 59 -15.290 0.077 0.501 443 HD2 PHE 59 HD2 PHE 59 -13.992 3.359 -1.876 444 HE1 PHE 59 HE1 PHE 59 -17.158 -0.315 -1.053 445 HE2 PHE 59 HE2 PHE 59 -15.857 2.974 -3.434 446 HZ PHE 59 HZ PHE 59 -17.443 1.135 -3.023 447 H LYS 60 H LYS 60 -13.537 4.278 3.557 448 HA LYS 60 HA LYS 60 -10.699 4.135 3.832 449 HB2 LYS 60 HB2 LYS 60 -11.010 5.679 5.709 450 HB3 LYS 60 HB3 LYS 60 -11.919 6.202 4.298 451 HG2 LYS 60 HG2 LYS 60 -13.811 4.764 5.540 452 HG3 LYS 60 HG3 LYS 60 -12.866 5.288 6.935 453 HD2 LYS 60 HD2 LYS 60 -13.188 7.572 6.416 454 HD3 LYS 60 HD3 LYS 60 -13.800 7.195 4.805 455 HE2 LYS 60 HE2 LYS 60 -15.175 6.380 7.359 456 HE3 LYS 60 HE3 LYS 60 -15.551 7.856 6.470 457 HZ1 LYS 60 HZ1 LYS 60 -17.098 6.252 5.770 458 HZ2 LYS 60 HZ2 LYS 60 -15.917 5.055 5.581 459 HZ3 LYS 60 HZ3 LYS 60 -15.976 6.361 4.508 460 H ASP 61 H ASP 61 -13.416 2.618 5.405 461 HA ASP 61 HA ASP 61 -11.855 1.613 7.612 462 HB2 ASP 61 HB2 ASP 61 -14.690 1.177 6.690 463 HB3 ASP 61 HB3 ASP 61 -13.993 0.243 8.011 464 H ARG 62 H ARG 62 -12.875 0.509 4.466 465 HA ARG 62 HA ARG 62 -12.117 -2.237 4.972 466 HB2 ARG 62 HB2 ARG 62 -13.412 -0.738 2.782 467 HB3 ARG 62 HB3 ARG 62 -12.423 -2.101 2.276 468 HG2 ARG 62 HG2 ARG 62 -14.718 -2.790 2.548 469 HG3 ARG 62 HG3 ARG 62 -13.706 -3.570 3.765 470 HD2 ARG 62 1HD ARG 62 -14.489 -1.262 5.025 471 HD3 ARG 62 2HD ARG 62 -15.918 -1.687 4.083 472 HE ARG 62 HE ARG 62 -14.866 -3.080 6.367 473 HH11 ARG 62 HH11 ARG 62 -16.817 -3.367 3.488 474 HH12 ARG 62 HH12 ARG 62 -17.715 -4.723 4.080 475 HH21 ARG 62 HH21 ARG 62 -16.047 -4.864 7.149 476 HH22 ARG 62 HH22 ARG 62 -17.279 -5.573 6.159 477 H VAL 63 H VAL 63 -11.139 -0.126 2.283 478 HA VAL 63 HA VAL 63 -8.457 -1.289 2.423 479 HB VAL 63 HB VAL 63 -9.560 0.509 0.265 480 HG11 VAL 63 HG11 VAL 63 -7.060 -1.036 0.661 481 HG12 VAL 63 HG12 VAL 63 -7.321 0.516 -0.134 482 HG13 VAL 63 HG13 VAL 63 -7.736 -0.982 -0.967 483 HG21 VAL 63 HG21 VAL 63 -10.220 -1.381 -0.978 484 HG22 VAL 63 HG22 VAL 63 -10.866 -1.637 0.643 485 HG23 VAL 63 HG23 VAL 63 -9.411 -2.491 0.129 486 H VAL 64 H VAL 64 -6.631 -0.104 2.777 487 HA VAL 64 HA VAL 64 -6.921 2.794 3.154 488 HB VAL 64 HB VAL 64 -7.073 1.745 5.373 489 HG11 VAL 64 HG11 VAL 64 -4.232 0.855 5.179 490 HG12 VAL 64 HG12 VAL 64 -5.514 -0.193 4.573 491 HG13 VAL 64 HG13 VAL 64 -5.512 0.309 6.263 492 HG21 VAL 64 HG21 VAL 64 -4.952 3.607 4.571 493 HG22 VAL 64 HG22 VAL 64 -4.719 2.862 6.152 494 HG23 VAL 64 HG23 VAL 64 -6.195 3.765 5.812 495 H ILE 65 H ILE 65 -5.325 3.952 2.272 496 HA ILE 65 HA ILE 65 -3.201 2.580 0.879 497 HB ILE 65 HB ILE 65 -3.594 5.561 1.116 498 HG12 ILE 65 HG12 ILE 65 -5.658 4.435 0.303 499 HG13 ILE 65 HG13 ILE 65 -4.915 5.467 -0.915 500 HG21 ILE 65 HG21 ILE 65 -1.415 4.715 0.258 501 HG22 ILE 65 HG22 ILE 65 -2.312 5.695 -0.902 502 HG23 ILE 65 HG23 ILE 65 -2.290 3.939 -1.062 503 HD11 ILE 65 HD11 ILE 65 -4.706 3.771 -2.321 504 HD12 ILE 65 HD12 ILE 65 -5.688 2.822 -1.204 505 HD13 ILE 65 HD13 ILE 65 -3.928 2.766 -1.098 506 H ALA 66 H ALA 66 -1.283 2.138 1.737 507 HA ALA 66 HA ALA 66 -0.224 3.930 3.819 508 HB1 ALA 66 HB1 ALA 66 0.214 2.249 5.272 509 HB2 ALA 66 HB2 ALA 66 0.489 1.065 3.993 510 HB3 ALA 66 HB3 ALA 66 -1.157 1.507 4.447 511 H LYS 67 H LYS 67 1.735 4.695 3.400 512 HA LYS 67 HA LYS 67 3.313 3.401 1.284 513 HB2 LYS 67 HB2 LYS 67 4.372 5.535 0.911 514 HB3 LYS 67 HB3 LYS 67 2.629 5.764 0.906 515 HG2 LYS 67 HG2 LYS 67 2.639 6.881 2.933 516 HG3 LYS 67 HG3 LYS 67 4.200 6.213 3.410 517 HD2 LYS 67 HD2 LYS 67 5.351 7.826 2.347 518 HD3 LYS 67 HD3 LYS 67 4.262 7.822 0.958 519 HE2 LYS 67 HE2 LYS 67 3.802 9.892 1.807 520 HE3 LYS 67 HE3 LYS 67 2.611 8.935 2.687 521 HZ1 LYS 67 HZ1 LYS 67 4.485 8.744 4.431 522 HZ2 LYS 67 HZ2 LYS 67 3.588 10.175 4.344 523 HZ3 LYS 67 HZ3 LYS 67 5.133 10.103 3.659 524 H VAL 68 H VAL 68 5.625 3.288 1.537 525 HA VAL 68 HA VAL 68 6.884 3.830 4.030 526 HB VAL 68 HB VAL 68 5.586 1.857 4.718 527 HG11 VAL 68 HG11 VAL 68 7.024 0.554 2.422 528 HG12 VAL 68 HG12 VAL 68 5.288 0.643 2.720 529 HG13 VAL 68 HG13 VAL 68 6.308 -0.368 3.744 530 HG21 VAL 68 HG21 VAL 68 8.538 1.277 4.495 531 HG22 VAL 68 HG22 VAL 68 7.419 0.584 5.669 532 HG23 VAL 68 HG23 VAL 68 7.790 2.308 5.715 533 H ASP 69 H ASP 69 9.137 3.282 4.035 534 HA ASP 69 HA ASP 69 10.204 3.017 1.321 535 HB2 ASP 69 HB2 ASP 69 11.088 4.363 3.795 536 HB3 ASP 69 HB3 ASP 69 12.371 3.594 2.867 537 H ALA 70 H ALA 70 11.781 1.492 0.791 538 HA ALA 70 HA ALA 70 11.688 -0.923 2.394 539 HB1 ALA 70 HB1 ALA 70 12.478 -0.236 -0.373 540 HB2 ALA 70 HB2 ALA 70 11.519 -1.586 0.234 541 HB3 ALA 70 HB3 ALA 70 13.277 -1.624 0.365 542 H THR 71 H THR 71 12.995 1.012 3.809 543 HA THR 71 HA THR 71 15.719 -0.061 3.884 544 HB THR 71 HB THR 71 16.752 2.037 3.995 545 HG1 THR 71 HG1 THR 71 15.802 3.805 4.698 546 HG21 THR 71 HG21 THR 71 16.191 1.789 1.727 547 HG22 THR 71 HG22 THR 71 15.772 3.449 2.149 548 HG23 THR 71 HG23 THR 71 14.507 2.227 2.014 549 H ALA 72 H ALA 72 13.123 -0.292 5.457 550 HA ALA 72 HA ALA 72 13.849 0.830 8.035 551 HB1 ALA 72 HB1 ALA 72 11.437 -0.427 6.871 552 HB2 ALA 72 HB2 ALA 72 11.593 1.001 7.894 553 HB3 ALA 72 HB3 ALA 72 11.676 -0.609 8.609 554 H ASN 73 H ASN 73 13.211 -0.877 9.906 555 HA ASN 73 HA ASN 73 15.166 -3.028 9.587 556 HB2 ASN 73 HB2 ASN 73 13.825 -2.465 12.197 557 HB3 ASN 73 HB3 ASN 73 15.475 -2.985 11.876 558 HD21 ASN 73 HD21 ASN 73 13.278 -0.260 11.829 559 HD22 ASN 73 HD22 ASN 73 14.491 0.966 11.918 560 H ASP 74 H ASP 74 14.692 -5.167 10.446 561 HA ASP 74 HA ASP 74 13.467 -7.087 10.356 562 HB2 ASP 74 HB2 ASP 74 12.505 -5.569 12.381 563 HB3 ASP 74 HB3 ASP 74 11.037 -5.790 11.433 564 H VAL 75 H VAL 75 13.419 -5.653 7.956 565 HA VAL 75 HA VAL 75 10.748 -6.371 6.952 566 HB VAL 75 HB VAL 75 10.909 -3.932 7.042 567 HG11 VAL 75 HG11 VAL 75 12.954 -3.770 4.927 568 HG12 VAL 75 HG12 VAL 75 13.537 -4.210 6.532 569 HG13 VAL 75 HG13 VAL 75 12.648 -2.705 6.298 570 HG21 VAL 75 HG21 VAL 75 9.671 -5.081 5.211 571 HG22 VAL 75 HG22 VAL 75 11.095 -4.887 4.189 572 HG23 VAL 75 HG23 VAL 75 10.240 -3.466 4.788 573 HA PRO 76 HA PRO 76 13.692 -8.808 4.487 574 HB2 PRO 76 HB2 PRO 76 11.407 -10.509 3.887 575 HB3 PRO 76 HB3 PRO 76 12.876 -10.898 4.779 576 HG2 PRO 76 HG2 PRO 76 10.425 -10.702 5.950 577 HG3 PRO 76 HG3 PRO 76 11.944 -10.372 6.802 578 HD2 PRO 76 HD2 PRO 76 9.968 -8.455 5.634 579 HD3 PRO 76 HD3 PRO 76 10.883 -8.348 7.153 580 H ASP 77 H ASP 77 10.391 -9.075 3.202 581 HA ASP 77 HA ASP 77 9.611 -8.819 1.067 582 HB2 ASP 77 HB2 ASP 77 11.008 -6.197 1.593 583 HB3 ASP 77 HB3 ASP 77 9.977 -6.471 0.192 584 H GLU 78 H GLU 78 10.671 -10.359 -0.151 585 HA GLU 78 HA GLU 78 13.262 -9.727 -1.315 586 HB2 GLU 78 HB2 GLU 78 12.153 -12.081 -0.505 587 HB3 GLU 78 HB3 GLU 78 11.839 -12.142 -2.234 588 HG2 GLU 78 HG2 GLU 78 13.874 -13.108 -2.246 589 HG3 GLU 78 HG3 GLU 78 14.403 -11.427 -2.311 590 H ILE 79 H ILE 79 13.073 -8.213 -2.880 591 HA ILE 79 HA ILE 79 11.383 -8.896 -5.179 592 HB ILE 79 HB ILE 79 10.714 -6.570 -5.475 593 HG12 ILE 79 HG12 ILE 79 12.693 -5.589 -4.280 594 HG13 ILE 79 HG13 ILE 79 11.151 -4.869 -3.832 595 HG21 ILE 79 HG21 ILE 79 9.730 -6.779 -2.784 596 HG22 ILE 79 HG22 ILE 79 9.763 -8.366 -3.551 597 HG23 ILE 79 HG23 ILE 79 8.886 -7.038 -4.310 598 HD11 ILE 79 HD11 ILE 79 11.516 -6.928 -2.008 599 HD12 ILE 79 HD12 ILE 79 11.733 -5.201 -1.724 600 HD13 ILE 79 HD13 ILE 79 13.110 -6.197 -2.194 601 H GLN 80 H GLN 80 12.005 -7.797 -7.173 602 HA GLN 80 HA GLN 80 14.892 -7.659 -7.386 603 HB2 GLN 80 HB2 GLN 80 13.154 -8.805 -9.004 604 HB3 GLN 80 HB3 GLN 80 13.075 -7.196 -9.711 605 HG2 GLN 80 HG2 GLN 80 15.803 -7.802 -9.385 606 HG3 GLN 80 HG3 GLN 80 15.039 -9.235 -10.071 607 HE21 GLN 80 HE21 GLN 80 15.432 -5.760 -10.491 608 HE22 GLN 80 HE22 GLN 80 15.235 -5.761 -12.207 609 H GLY 81 H GLY 81 12.108 -5.519 -7.982 610 HA2 GLY 81 HA2 GLY 81 14.035 -3.287 -8.223 611 HA3 GLY 81 HA3 GLY 81 12.476 -3.323 -9.030 612 H PHE 82 H PHE 82 13.810 -1.475 -7.013 613 HA PHE 82 HA PHE 82 12.698 -1.547 -4.550 614 HB2 PHE 82 HB2 PHE 82 13.831 0.485 -6.247 615 HB3 PHE 82 HB3 PHE 82 12.629 1.124 -5.118 616 HD1 PHE 82 HD1 PHE 82 12.780 -0.189 -2.767 617 HD2 PHE 82 HD2 PHE 82 15.958 0.605 -5.474 618 HE1 PHE 82 HE1 PHE 82 14.414 -0.393 -0.920 619 HE2 PHE 82 HE2 PHE 82 17.581 0.399 -3.666 620 HZ PHE 82 HZ PHE 82 16.824 -0.095 -1.365 621 HA PRO 83 HA PRO 83 8.907 0.628 -5.607 622 HB2 PRO 83 HB2 PRO 83 7.871 0.585 -8.134 623 HB3 PRO 83 HB3 PRO 83 8.941 1.859 -7.543 624 HG2 PRO 83 HG2 PRO 83 9.580 -0.504 -9.250 625 HG3 PRO 83 HG3 PRO 83 10.190 1.157 -9.358 626 HD2 PRO 83 HD2 PRO 83 11.579 -0.913 -8.211 627 HD3 PRO 83 HD3 PRO 83 11.807 0.791 -7.774 628 H THR 84 H THR 84 8.826 -1.424 -4.483 629 HA THR 84 HA THR 84 7.420 -3.576 -5.864 630 HB THR 84 HB THR 84 9.271 -3.335 -3.593 631 HG1 THR 84 HG1 THR 84 9.903 -4.486 -5.344 632 HG21 THR 84 HG21 THR 84 7.288 -4.033 -2.318 633 HG22 THR 84 HG22 THR 84 8.517 -5.295 -2.391 634 HG23 THR 84 HG23 THR 84 7.080 -5.404 -3.408 635 H ILE 85 H ILE 85 5.287 -3.745 -5.706 636 HA ILE 85 HA ILE 85 3.913 -2.340 -3.526 637 HB ILE 85 HB ILE 85 2.682 -3.469 -6.038 638 HG12 ILE 85 HG12 ILE 85 2.619 -0.708 -6.238 639 HG13 ILE 85 HG13 ILE 85 4.225 -1.026 -5.589 640 HG21 ILE 85 HG21 ILE 85 1.062 -3.198 -4.307 641 HG22 ILE 85 HG22 ILE 85 0.853 -1.872 -5.451 642 HG23 ILE 85 HG23 ILE 85 1.671 -1.590 -3.914 643 HD11 ILE 85 HD11 ILE 85 3.874 -0.924 -8.144 644 HD12 ILE 85 HD12 ILE 85 3.234 -2.556 -7.951 645 HD13 ILE 85 HD13 ILE 85 4.890 -2.194 -7.462 646 H LYS 86 H LYS 86 3.301 -3.523 -1.855 647 HA LYS 86 HA LYS 86 2.815 -6.394 -2.233 648 HB2 LYS 86 HB2 LYS 86 4.208 -4.916 -0.254 649 HB3 LYS 86 HB3 LYS 86 2.800 -5.619 0.529 650 HG2 LYS 86 HG2 LYS 86 4.660 -7.116 0.745 651 HG3 LYS 86 HG3 LYS 86 3.466 -7.833 -0.338 652 HD2 LYS 86 HD2 LYS 86 4.793 -7.568 -2.196 653 HD3 LYS 86 HD3 LYS 86 5.668 -6.200 -1.506 654 HE2 LYS 86 HE2 LYS 86 7.185 -7.520 -0.482 655 HE3 LYS 86 HE3 LYS 86 5.994 -8.758 -0.088 656 HZ1 LYS 86 HZ1 LYS 86 7.269 -9.831 -1.634 657 HZ2 LYS 86 HZ2 LYS 86 7.596 -8.432 -2.526 658 HZ3 LYS 86 HZ3 LYS 86 6.081 -9.173 -2.643 659 H LEU 87 H LEU 87 0.801 -7.108 -2.253 660 HA LEU 87 HA LEU 87 -1.317 -5.388 -1.162 661 HB2 LEU 87 HB2 LEU 87 -1.060 -6.682 -3.624 662 HB3 LEU 87 HB3 LEU 87 -2.242 -7.633 -2.746 663 HG LEU 87 HG LEU 87 -3.417 -6.009 -4.044 664 HD11 LEU 87 HD11 LEU 87 -4.652 -4.822 -2.337 665 HD12 LEU 87 HD12 LEU 87 -3.344 -5.070 -1.181 666 HD13 LEU 87 HD13 LEU 87 -4.267 -6.449 -1.778 667 HD21 LEU 87 HD21 LEU 87 -1.956 -3.789 -2.650 668 HD22 LEU 87 HD22 LEU 87 -2.969 -3.712 -4.092 669 HD23 LEU 87 HD23 LEU 87 -1.380 -4.472 -4.171 670 H TYR 88 H TYR 88 -2.589 -6.055 0.464 671 HA TYR 88 HA TYR 88 -2.424 -8.872 1.305 672 HB2 TYR 88 HB2 TYR 88 -2.091 -6.397 2.979 673 HB3 TYR 88 HB3 TYR 88 -2.646 -7.908 3.692 674 HD1 TYR 88 HD1 TYR 88 -1.135 -10.012 3.043 675 HD2 TYR 88 HD2 TYR 88 0.174 -5.963 3.026 676 HE1 TYR 88 HE1 TYR 88 1.194 -10.770 3.263 677 HE2 TYR 88 HE2 TYR 88 2.506 -6.710 3.244 678 HH TYR 88 HH TYR 88 3.380 -9.765 4.166 679 HA PRO 89 HA PRO 89 -6.851 -7.849 0.775 680 HB2 PRO 89 HB2 PRO 89 -7.118 -10.741 0.404 681 HB3 PRO 89 HB3 PRO 89 -7.530 -9.430 -0.703 682 HG2 PRO 89 HG2 PRO 89 -5.453 -11.099 -1.147 683 HG3 PRO 89 HG3 PRO 89 -5.440 -9.402 -1.661 684 HD2 PRO 89 HD2 PRO 89 -4.141 -10.672 0.722 685 HD3 PRO 89 HD3 PRO 89 -3.506 -9.431 -0.380 686 H ALA 90 H ALA 90 -8.446 -7.947 2.269 687 HA ALA 90 HA ALA 90 -7.858 -9.156 4.810 688 HB1 ALA 90 HB1 ALA 90 -9.333 -7.693 5.636 689 HB2 ALA 90 HB2 ALA 90 -10.568 -8.129 4.455 690 HB3 ALA 90 HB3 ALA 90 -9.309 -6.970 4.028 691 H GLY 91 H GLY 91 -8.231 -11.222 5.243 692 HA2 GLY 91 HA2 GLY 91 -9.941 -12.915 5.641 693 HA3 GLY 91 HA3 GLY 91 -10.646 -12.475 4.092 694 H ALA 92 H ALA 92 -8.113 -12.323 2.701 695 HA ALA 92 HA ALA 92 -7.412 -15.186 2.641 696 HB1 ALA 92 HB1 ALA 92 -7.465 -13.315 0.278 697 HB2 ALA 92 HB2 ALA 92 -8.756 -14.443 0.693 698 HB3 ALA 92 HB3 ALA 92 -7.160 -15.052 0.254 699 H LYS 93 H LYS 93 -6.200 -12.523 3.794 700 HA LYS 93 HA LYS 93 -3.772 -12.010 2.530 701 HB2 LYS 93 HB2 LYS 93 -3.024 -11.207 4.800 702 HB3 LYS 93 HB3 LYS 93 -4.526 -10.509 4.216 703 HG2 LYS 93 HG2 LYS 93 -5.006 -10.969 6.423 704 HG3 LYS 93 HG3 LYS 93 -5.657 -12.383 5.595 705 HD2 LYS 93 HD2 LYS 93 -2.866 -12.737 6.291 706 HD3 LYS 93 HD3 LYS 93 -3.853 -12.373 7.708 707 HE2 LYS 93 HE2 LYS 93 -4.546 -14.500 5.690 708 HE3 LYS 93 HE3 LYS 93 -3.624 -14.813 7.160 709 HZ1 LYS 93 HZ1 LYS 93 -6.123 -15.203 7.222 710 HZ2 LYS 93 HZ2 LYS 93 -6.279 -13.520 7.257 711 HZ3 LYS 93 HZ3 LYS 93 -5.447 -14.317 8.495 712 H GLY 94 H GLY 94 -1.724 -12.405 4.323 713 HA2 GLY 94 HA2 GLY 94 -0.591 -14.162 5.519 714 HA3 GLY 94 HA3 GLY 94 -1.575 -15.329 4.648 715 H GLN 95 H GLN 95 -1.032 -13.539 2.180 716 HA GLN 95 HA GLN 95 1.717 -14.446 1.675 717 HB2 GLN 95 HB2 GLN 95 1.127 -15.188 -0.537 718 HB3 GLN 95 HB3 GLN 95 0.059 -15.974 0.616 719 HG2 GLN 95 HG2 GLN 95 -0.694 -13.523 -0.954 720 HG3 GLN 95 HG3 GLN 95 -1.038 -15.171 -1.473 721 HE21 GLN 95 HE21 GLN 95 -2.192 -12.536 0.194 722 HE22 GLN 95 HE22 GLN 95 -3.483 -13.301 1.050 723 HA PRO 96 HA PRO 96 2.100 -10.184 0.432 724 HB2 PRO 96 HB2 PRO 96 4.670 -10.231 -0.353 725 HB3 PRO 96 HB3 PRO 96 4.214 -10.342 1.352 726 HG2 PRO 96 HG2 PRO 96 5.001 -12.520 -0.545 727 HG3 PRO 96 HG3 PRO 96 5.482 -12.280 1.145 728 HD2 PRO 96 HD2 PRO 96 3.525 -14.021 0.361 729 HD3 PRO 96 HD3 PRO 96 3.564 -13.241 1.954 730 H VAL 97 H VAL 97 1.021 -9.619 -1.375 731 HA VAL 97 HA VAL 97 1.469 -10.954 -3.891 732 HB VAL 97 HB VAL 97 -0.149 -8.452 -3.409 733 HG11 VAL 97 HG11 VAL 97 -1.435 -9.488 -5.381 734 HG12 VAL 97 HG12 VAL 97 0.014 -10.462 -5.626 735 HG13 VAL 97 HG13 VAL 97 0.110 -8.703 -5.712 736 HG21 VAL 97 HG21 VAL 97 -2.057 -9.797 -2.981 737 HG22 VAL 97 HG22 VAL 97 -0.777 -10.386 -1.920 738 HG23 VAL 97 HG23 VAL 97 -1.188 -11.277 -3.386 739 H THR 98 H THR 98 3.339 -10.539 -4.900 740 HA THR 98 HA THR 98 4.472 -7.858 -4.852 741 HB THR 98 HB THR 98 5.816 -9.883 -6.502 742 HG1 THR 98 HG1 THR 98 5.737 -11.434 -5.118 743 HG21 THR 98 HG21 THR 98 7.082 -7.984 -5.951 744 HG22 THR 98 HG22 THR 98 7.715 -9.291 -4.951 745 HG23 THR 98 HG23 THR 98 6.638 -8.085 -4.247 746 H TYR 99 H TYR 99 3.999 -6.418 -6.355 747 HA TYR 99 HA TYR 99 2.470 -7.013 -8.657 748 HB2 TYR 99 HB2 TYR 99 3.797 -4.609 -7.529 749 HB3 TYR 99 HB3 TYR 99 3.430 -4.574 -9.249 750 HD1 TYR 99 HD2 TYR 99 1.543 -6.011 -6.366 751 HD2 TYR 99 HD1 TYR 99 1.611 -3.174 -9.536 752 HE1 TYR 99 HE2 TYR 99 -0.777 -5.385 -5.846 753 HE2 TYR 99 HE1 TYR 99 -0.710 -2.538 -9.024 754 HH TYR 99 HH TYR 99 -2.631 -4.301 -6.685 755 H SER 100 H SER 100 3.406 -5.808 -10.803 756 HA SER 100 HA SER 100 5.822 -7.338 -11.475 757 HB2 SER 100 HB2 SER 100 3.431 -7.387 -12.734 758 HB3 SER 100 HB3 SER 100 4.222 -6.097 -13.640 759 HG SER 100 HG SER 100 5.987 -7.588 -13.952 760 H GLY 101 H GLY 101 4.493 -4.140 -11.270 761 HA2 GLY 101 HA2 GLY 101 6.963 -2.851 -11.300 762 HA3 GLY 101 HA3 GLY 101 6.332 -2.790 -12.939 763 H SER 102 H SER 102 6.655 -0.954 -10.347 764 HA SER 102 HA SER 102 3.972 0.132 -10.186 765 HB2 SER 102 HB2 SER 102 5.840 -0.043 -8.309 766 HB3 SER 102 HB3 SER 102 6.316 1.523 -8.967 767 HG SER 102 HG SER 102 4.785 1.709 -7.265 768 H ARG 103 H ARG 103 3.326 2.157 -10.892 769 HA ARG 103 HA ARG 103 5.158 3.914 -12.251 770 HB2 ARG 103 HB2 ARG 103 4.066 1.903 -13.787 771 HB3 ARG 103 HB3 ARG 103 2.967 3.245 -14.074 772 HG2 ARG 103 HG2 ARG 103 5.956 3.338 -14.435 773 HG3 ARG 103 HG3 ARG 103 4.772 3.136 -15.728 774 HD2 ARG 103 1HD ARG 103 3.823 5.309 -15.242 775 HD3 ARG 103 2HD ARG 103 4.906 5.504 -13.865 776 HE ARG 103 HE ARG 103 5.530 5.930 -16.634 777 HH11 ARG 103 HH11 ARG 103 6.855 5.138 -13.504 778 HH12 ARG 103 HH12 ARG 103 8.443 5.710 -13.893 779 HH21 ARG 103 HH21 ARG 103 7.617 6.682 -17.148 780 HH22 ARG 103 HH22 ARG 103 8.876 6.587 -15.961 781 H THR 104 H THR 104 1.679 3.127 -12.099 782 HA THR 104 HA THR 104 1.191 5.855 -11.129 783 HB THR 104 HB THR 104 -0.666 4.535 -13.094 784 HG1 THR 104 HG1 THR 104 1.137 4.736 -14.295 785 HG21 THR 104 HG21 THR 104 -0.832 7.170 -13.567 786 HG22 THR 104 HG22 THR 104 -0.454 7.187 -11.844 787 HG23 THR 104 HG23 THR 104 -1.867 6.309 -12.429 788 H VAL 105 H VAL 105 -0.791 6.113 -9.937 789 HA VAL 105 HA VAL 105 -1.333 3.879 -8.240 790 HB VAL 105 HB VAL 105 -3.087 5.427 -7.253 791 HG11 VAL 105 HG11 VAL 105 -0.359 6.680 -7.363 792 HG12 VAL 105 HG12 VAL 105 -0.663 5.162 -6.519 793 HG13 VAL 105 HG13 VAL 105 -1.496 6.632 -6.015 794 HG21 VAL 105 HG21 VAL 105 -1.782 7.562 -8.907 795 HG22 VAL 105 HG22 VAL 105 -3.257 7.652 -7.945 796 HG23 VAL 105 HG23 VAL 105 -3.242 6.738 -9.453 797 H GLU 106 H GLU 106 -2.852 5.257 -11.047 798 HA GLU 106 HA GLU 106 -5.457 4.302 -10.751 799 HB2 GLU 106 HB2 GLU 106 -5.655 4.525 -13.164 800 HB3 GLU 106 HB3 GLU 106 -4.762 5.889 -12.504 801 HG2 GLU 106 HG2 GLU 106 -2.657 4.610 -13.128 802 HG3 GLU 106 HG3 GLU 106 -3.713 3.555 -14.066 803 H ASP 107 H ASP 107 -2.540 2.694 -11.875 804 HA ASP 107 HA ASP 107 -3.903 0.325 -12.746 805 HB2 ASP 107 HB2 ASP 107 -1.571 1.262 -13.472 806 HB3 ASP 107 HB3 ASP 107 -0.984 0.386 -12.062 807 H LEU 108 H LEU 108 -2.415 1.434 -9.789 808 HA LEU 108 HA LEU 108 -2.217 -1.083 -8.505 809 HB2 LEU 108 HB2 LEU 108 -1.271 1.348 -7.927 810 HB3 LEU 108 HB3 LEU 108 -2.686 1.365 -6.891 811 HG LEU 108 HG LEU 108 -0.787 -0.946 -6.765 812 HD11 LEU 108 HD11 LEU 108 -0.374 1.300 -4.886 813 HD12 LEU 108 HD12 LEU 108 0.254 1.500 -6.522 814 HD13 LEU 108 HD13 LEU 108 0.778 0.134 -5.537 815 HD21 LEU 108 HD21 LEU 108 -2.672 -1.366 -5.488 816 HD22 LEU 108 HD22 LEU 108 -2.839 0.319 -4.994 817 HD23 LEU 108 HD23 LEU 108 -1.558 -0.679 -4.306 818 H ILE 109 H ILE 109 -4.638 1.513 -8.261 819 HA ILE 109 HA ILE 109 -6.355 0.241 -6.462 820 HB ILE 109 HB ILE 109 -6.561 2.610 -6.988 821 HG12 ILE 109 HG12 ILE 109 -9.005 0.946 -7.628 822 HG13 ILE 109 HG13 ILE 109 -8.529 1.584 -6.058 823 HG21 ILE 109 HG21 ILE 109 -7.338 3.440 -9.071 824 HG22 ILE 109 HG22 ILE 109 -7.707 1.817 -9.655 825 HG23 ILE 109 HG23 ILE 109 -6.030 2.311 -9.426 826 HD11 ILE 109 HD11 ILE 109 -8.993 3.826 -6.773 827 HD12 ILE 109 HD12 ILE 109 -10.394 2.809 -7.109 828 HD13 ILE 109 HD13 ILE 109 -9.310 3.275 -8.419 829 H LYS 110 H LYS 110 -6.360 0.234 -10.017 830 HA LYS 110 HA LYS 110 -8.688 -1.248 -10.404 831 HB2 LYS 110 HB2 LYS 110 -7.434 -0.052 -12.186 832 HB3 LYS 110 HB3 LYS 110 -6.198 -1.300 -12.118 833 HG2 LYS 110 HG2 LYS 110 -7.718 -2.955 -12.911 834 HG3 LYS 110 HG3 LYS 110 -9.084 -1.848 -12.761 835 HD2 LYS 110 HD2 LYS 110 -6.790 -1.053 -14.485 836 HD3 LYS 110 HD3 LYS 110 -7.912 -2.275 -15.086 837 HE2 LYS 110 HE2 LYS 110 -9.642 -0.414 -14.154 838 HE3 LYS 110 HE3 LYS 110 -8.299 0.612 -14.658 839 HZ1 LYS 110 HZ1 LYS 110 -9.188 -1.467 -16.511 840 HZ2 LYS 110 HZ2 LYS 110 -8.588 0.081 -16.832 841 HZ3 LYS 110 HZ3 LYS 110 -10.188 -0.116 -16.319 842 H PHE 111 H PHE 111 -5.427 -2.284 -9.637 843 HA PHE 111 HA PHE 111 -5.909 -5.061 -10.130 844 HB2 PHE 111 HB2 PHE 111 -3.667 -3.437 -9.559 845 HB3 PHE 111 HB3 PHE 111 -3.750 -4.643 -8.279 846 HD1 PHE 111 HD1 PHE 111 -3.752 -4.269 -11.973 847 HD2 PHE 111 HD2 PHE 111 -2.968 -6.799 -8.642 848 HE1 PHE 111 HE1 PHE 111 -2.732 -5.927 -13.477 849 HE2 PHE 111 HE2 PHE 111 -1.946 -8.462 -10.140 850 HZ PHE 111 HZ PHE 111 -1.826 -8.027 -12.561 851 H ILE 112 H ILE 112 -5.843 -3.011 -7.242 852 HA ILE 112 HA ILE 112 -6.132 -4.981 -5.300 853 HB ILE 112 HB ILE 112 -7.326 -2.207 -5.231 854 HG12 ILE 112 HG12 ILE 112 -4.758 -2.864 -3.885 855 HG13 ILE 112 HG13 ILE 112 -4.722 -2.705 -5.638 856 HG21 ILE 112 HG21 ILE 112 -6.580 -4.091 -2.998 857 HG22 ILE 112 HG22 ILE 112 -8.217 -3.664 -3.496 858 HG23 ILE 112 HG23 ILE 112 -7.159 -2.437 -2.799 859 HD11 ILE 112 HD11 ILE 112 -6.173 -0.530 -4.429 860 HD12 ILE 112 HD12 ILE 112 -4.775 -0.497 -5.504 861 HD13 ILE 112 HD13 ILE 112 -4.545 -0.670 -3.765 862 H ALA 113 H ALA 113 -8.481 -3.628 -7.494 863 HA ALA 113 HA ALA 113 -10.744 -4.729 -6.077 864 HB1 ALA 113 HB1 ALA 113 -10.672 -2.607 -7.568 865 HB2 ALA 113 HB2 ALA 113 -12.092 -3.653 -7.616 866 HB3 ALA 113 HB3 ALA 113 -10.882 -3.748 -8.897 867 H GLU 114 H GLU 114 -8.786 -5.534 -8.887 868 HA GLU 114 HA GLU 114 -10.429 -7.696 -9.760 869 HB2 GLU 114 HB2 GLU 114 -7.554 -6.983 -10.352 870 HB3 GLU 114 HB3 GLU 114 -8.408 -8.312 -11.124 871 HG2 GLU 114 HG2 GLU 114 -9.264 -5.430 -11.246 872 HG3 GLU 114 HG3 GLU 114 -8.324 -6.256 -12.488 873 H ASN 115 H ASN 115 -7.818 -7.349 -7.480 874 HA ASN 115 HA ASN 115 -7.917 -10.249 -6.966 875 HB2 ASN 115 HB2 ASN 115 -5.614 -8.423 -6.275 876 HB3 ASN 115 HB3 ASN 115 -5.637 -10.183 -6.253 877 HD21 ASN 115 HD21 ASN 115 -6.083 -7.441 -8.445 878 HD22 ASN 115 HD22 ASN 115 -5.352 -8.194 -9.817 879 H GLY 116 H GLY 116 -9.556 -7.963 -5.875 880 HA2 GLY 116 HA2 GLY 116 -8.801 -8.171 -3.033 881 HA3 GLY 116 HA3 GLY 116 -9.801 -6.900 -3.720 882 H LYS 117 H LYS 117 -10.227 -8.869 -1.491 883 HA LYS 117 HA LYS 117 -12.347 -10.585 -2.420 884 HB2 LYS 117 HB2 LYS 117 -10.655 -10.732 -0.315 885 HB3 LYS 117 HB3 LYS 117 -12.073 -10.058 0.477 886 HG2 LYS 117 HG2 LYS 117 -13.256 -11.964 0.283 887 HG3 LYS 117 HG3 LYS 117 -12.571 -12.355 -1.296 888 HD2 LYS 117 HD2 LYS 117 -10.489 -13.060 -0.212 889 HD3 LYS 117 HD3 LYS 117 -11.182 -12.675 1.365 890 HE2 LYS 117 HE2 LYS 117 -11.552 -14.946 1.238 891 HE3 LYS 117 HE3 LYS 117 -13.074 -14.303 0.621 892 HZ1 LYS 117 HZ1 LYS 117 -12.620 -14.987 -1.482 893 HZ2 LYS 117 HZ2 LYS 117 -11.757 -16.175 -0.642 894 HZ3 LYS 117 HZ3 LYS 117 -10.942 -14.850 -1.306 895 H TYR 118 H TYR 118 -12.061 -7.435 -0.953 896 HA TYR 118 HA TYR 118 -14.934 -7.281 -0.471 897 HB2 TYR 118 HB2 TYR 118 -12.602 -5.518 0.228 898 HB3 TYR 118 HB3 TYR 118 -14.254 -4.921 0.347 899 HD1 TYR 118 HD1 TYR 118 -15.702 -7.237 1.384 900 HD2 TYR 118 HD2 TYR 118 -11.844 -5.766 2.409 901 HE1 TYR 118 HE1 TYR 118 -15.912 -8.256 3.612 902 HE2 TYR 118 HE2 TYR 118 -12.042 -6.781 4.639 903 HH TYR 118 HH TYR 118 -13.731 -7.558 6.166 904 H LYS 119 H LYS 119 -13.483 -7.256 -3.199 905 HA LYS 119 HA LYS 119 -14.910 -4.900 -4.234 906 HB2 LYS 119 HB2 LYS 119 -12.096 -5.631 -4.523 907 HB3 LYS 119 HB3 LYS 119 -12.889 -5.348 -6.066 908 HG2 LYS 119 HG2 LYS 119 -12.668 -3.170 -5.770 909 HG3 LYS 119 HG3 LYS 119 -13.682 -3.267 -4.329 910 HD2 LYS 119 HD2 LYS 119 -11.815 -3.542 -2.912 911 HD3 LYS 119 HD3 LYS 119 -10.740 -3.888 -4.268 912 HE2 LYS 119 HE2 LYS 119 -11.640 -1.428 -4.949 913 HE3 LYS 119 HE3 LYS 119 -11.668 -1.310 -3.190 914 HZ1 LYS 119 HZ1 LYS 119 -9.328 -2.037 -4.868 915 HZ2 LYS 119 HZ2 LYS 119 -9.337 -2.037 -3.177 916 HZ3 LYS 119 HZ3 LYS 119 -9.549 -0.588 -4.022 917 H ALA 120 H ALA 120 -15.736 -7.702 -3.984 918 HA ALA 120 HA ALA 120 -15.824 -8.565 -6.785 919 HB1 ALA 120 HB1 ALA 120 -16.370 -9.977 -4.193 920 HB2 ALA 120 HB2 ALA 120 -15.163 -10.352 -5.423 921 HB3 ALA 120 HB3 ALA 120 -16.871 -10.650 -5.743 922 H ALA 121 H ALA 121 -17.532 -8.056 -7.970 923 HA ALA 121 HA ALA 121 -20.124 -7.666 -6.619 924 HB1 ALA 121 HB1 ALA 121 -19.681 -6.272 -9.182 925 HB2 ALA 121 HB2 ALA 121 -18.760 -5.676 -7.801 926 HB3 ALA 121 HB3 ALA 121 -20.521 -5.737 -7.726 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -6.134 17.059 14.174 2 H2 GLY 1 2H GLY 1 -5.482 16.990 15.733 3 H3 GLY 1 3H GLY 1 -6.948 16.216 15.396 4 HA2 GLY 1 HA3 GLY 1 -4.681 14.901 15.497 5 HA3 GLY 1 HA2 GLY 1 -5.986 14.441 14.414 6 HA PRO 2 HA PRO 2 -3.314 14.577 10.919 7 HB2 PRO 2 HB2 PRO 2 -5.443 16.190 9.596 8 HB3 PRO 2 HB3 PRO 2 -4.641 14.715 9.043 9 HG2 PRO 2 HG2 PRO 2 -7.122 14.629 10.002 10 HG3 PRO 2 HG3 PRO 2 -5.958 13.343 10.371 11 HD2 PRO 2 HD2 PRO 2 -6.933 15.574 12.098 12 HD3 PRO 2 HD3 PRO 2 -6.508 13.907 12.537 13 H LEU 3 H LEU 3 -2.361 16.159 9.312 14 HA LEU 3 HA LEU 3 -2.011 18.776 10.617 15 HB2 LEU 3 HB2 LEU 3 0.173 18.764 9.246 16 HB3 LEU 3 HB3 LEU 3 0.079 17.779 10.694 17 HG LEU 3 HG LEU 3 -0.614 16.494 8.101 18 HD11 LEU 3 HD11 LEU 3 1.720 16.024 7.619 19 HD12 LEU 3 HD12 LEU 3 2.219 17.035 8.975 20 HD13 LEU 3 HD13 LEU 3 1.416 17.761 7.582 21 HD21 LEU 3 HD21 LEU 3 -0.485 15.587 10.627 22 HD22 LEU 3 HD22 LEU 3 1.166 15.260 10.102 23 HD23 LEU 3 HD23 LEU 3 -0.193 14.574 9.213 24 H GLY 4 H GLY 4 -2.476 17.123 7.544 25 HA2 GLY 4 HA2 GLY 4 -3.826 18.069 5.819 26 HA3 GLY 4 HA3 GLY 4 -3.398 19.669 6.405 27 H SER 5 H SER 5 -0.545 18.992 6.609 28 HA SER 5 HA SER 5 0.286 19.852 4.072 29 HB2 SER 5 HB2 SER 5 1.488 19.870 6.431 30 HB3 SER 5 HB3 SER 5 2.185 18.363 5.837 31 HG SER 5 HG SER 5 2.222 20.756 4.327 32 H GLU 6 H GLU 6 -0.137 16.660 5.424 33 HA GLU 6 HA GLU 6 0.975 15.462 2.983 34 HB2 GLU 6 HB2 GLU 6 0.597 14.465 5.780 35 HB3 GLU 6 HB3 GLU 6 0.657 13.311 4.455 36 HG2 GLU 6 HG2 GLU 6 2.859 13.824 3.937 37 HG3 GLU 6 HG3 GLU 6 2.797 15.372 4.778 38 H GLY 7 H GLY 7 -1.931 15.811 4.882 39 HA2 GLY 7 HA2 GLY 7 -4.125 15.521 4.198 40 HA3 GLY 7 HA3 GLY 7 -3.529 14.913 2.661 41 HA PRO 8 HA PRO 8 -5.238 11.197 4.663 42 HB2 PRO 8 HB2 PRO 8 -5.600 10.176 1.979 43 HB3 PRO 8 HB3 PRO 8 -6.828 10.595 3.173 44 HG2 PRO 8 HG2 PRO 8 -6.431 12.002 0.869 45 HG3 PRO 8 HG3 PRO 8 -7.086 12.715 2.354 46 HD2 PRO 8 HD2 PRO 8 -4.305 12.845 1.253 47 HD3 PRO 8 HD3 PRO 8 -5.267 14.115 2.041 48 H VAL 9 H VAL 9 -3.324 10.400 5.447 49 HA VAL 9 HA VAL 9 -1.970 8.465 3.730 50 HB VAL 9 HB VAL 9 -0.411 10.442 5.398 51 HG11 VAL 9 HG11 VAL 9 1.138 9.152 3.398 52 HG12 VAL 9 HG12 VAL 9 0.255 7.914 4.290 53 HG13 VAL 9 HG13 VAL 9 1.296 9.047 5.151 54 HG21 VAL 9 HG21 VAL 9 -1.121 11.775 3.651 55 HG22 VAL 9 HG22 VAL 9 -1.150 10.437 2.503 56 HG23 VAL 9 HG23 VAL 9 0.390 11.125 3.016 57 H THR 10 H THR 10 -1.231 6.669 4.795 58 HA THR 10 HA THR 10 -1.736 6.581 7.698 59 HB THR 10 HB THR 10 -1.956 4.327 5.693 60 HG1 THR 10 HG1 THR 10 -4.055 4.670 5.717 61 HG21 THR 10 HG21 THR 10 -2.818 4.313 8.569 62 HG22 THR 10 HG22 THR 10 -1.299 3.623 7.997 63 HG23 THR 10 HG23 THR 10 -2.835 2.971 7.424 64 H VAL 11 H VAL 11 0.003 6.302 8.913 65 HA VAL 11 HA VAL 11 2.563 5.755 7.783 66 HB VAL 11 HB VAL 11 2.301 7.217 9.740 67 HG11 VAL 11 HG11 VAL 11 1.652 4.708 11.281 68 HG12 VAL 11 HG12 VAL 11 0.475 5.937 10.816 69 HG13 VAL 11 HG13 VAL 11 1.784 6.345 11.924 70 HG21 VAL 11 HG21 VAL 11 3.992 4.755 10.126 71 HG22 VAL 11 HG22 VAL 11 4.118 6.193 11.140 72 HG23 VAL 11 HG23 VAL 11 4.471 6.297 9.415 73 H VAL 12 H VAL 12 3.845 3.941 7.951 74 HA VAL 12 HA VAL 12 2.586 1.526 9.076 75 HB VAL 12 HB VAL 12 4.331 1.191 6.695 76 HG11 VAL 12 HG11 VAL 12 3.370 -0.837 6.592 77 HG12 VAL 12 HG12 VAL 12 1.762 -0.208 6.939 78 HG13 VAL 12 HG13 VAL 12 2.899 -0.496 8.256 79 HG21 VAL 12 HG21 VAL 12 2.914 3.003 5.939 80 HG22 VAL 12 HG22 VAL 12 1.476 2.150 6.502 81 HG23 VAL 12 HG23 VAL 12 2.419 1.499 5.162 82 H VAL 13 H VAL 13 3.832 1.380 10.889 83 HA VAL 13 HA VAL 13 6.749 1.450 10.594 84 HB VAL 13 HB VAL 13 5.240 1.209 13.192 85 HG11 VAL 13 HG11 VAL 13 8.045 1.782 12.379 86 HG12 VAL 13 HG12 VAL 13 7.431 0.780 13.694 87 HG13 VAL 13 HG13 VAL 13 7.419 2.537 13.845 88 HG21 VAL 13 HG21 VAL 13 5.943 3.805 13.152 89 HG22 VAL 13 HG22 VAL 13 4.356 3.218 12.654 90 HG23 VAL 13 HG23 VAL 13 5.591 3.559 11.442 91 H ALA 14 H ALA 14 8.004 -0.218 11.792 92 HA ALA 14 HA ALA 14 7.458 -2.776 10.921 93 HB1 ALA 14 HB1 ALA 14 8.965 -2.619 13.447 94 HB2 ALA 14 HB2 ALA 14 9.565 -1.613 12.129 95 HB3 ALA 14 HB3 ALA 14 9.402 -3.354 11.905 96 H LYS 15 H LYS 15 6.515 -1.236 13.942 97 HA LYS 15 HA LYS 15 5.387 -3.688 14.997 98 HB2 LYS 15 HB2 LYS 15 6.036 -1.025 16.028 99 HB3 LYS 15 HB3 LYS 15 4.534 -1.679 16.665 100 HG2 LYS 15 HG2 LYS 15 5.579 -3.388 17.765 101 HG3 LYS 15 HG3 LYS 15 6.943 -3.422 16.645 102 HD2 LYS 15 HD2 LYS 15 6.513 -1.027 18.379 103 HD3 LYS 15 HD3 LYS 15 7.250 -2.477 19.062 104 HE2 LYS 15 HE2 LYS 15 9.079 -1.231 18.350 105 HE3 LYS 15 HE3 LYS 15 8.827 -2.373 17.031 106 HZ1 LYS 15 HZ1 LYS 15 9.158 0.166 16.572 107 HZ2 LYS 15 HZ2 LYS 15 7.498 0.236 16.891 108 HZ3 LYS 15 HZ3 LYS 15 8.078 -0.746 15.642 109 H ASN 16 H ASN 16 4.316 -1.298 12.882 110 HA ASN 16 HA ASN 16 1.507 -1.702 13.661 111 HB2 ASN 16 HB2 ASN 16 2.828 0.638 13.125 112 HB3 ASN 16 HB3 ASN 16 2.064 0.293 11.577 113 HD21 ASN 16 HD21 ASN 16 -0.281 -0.305 11.723 114 HD22 ASN 16 HD22 ASN 16 -1.251 0.597 12.831 115 H TYR 17 H TYR 17 3.709 -1.801 10.897 116 HA TYR 17 HA TYR 17 1.861 -2.472 8.924 117 HB2 TYR 17 HB2 TYR 17 3.676 -2.513 7.603 118 HB3 TYR 17 HB3 TYR 17 4.605 -2.103 9.040 119 HD1 TYR 17 HD1 TYR 17 5.931 -3.792 10.187 120 HD2 TYR 17 HD2 TYR 17 3.680 -4.772 6.714 121 HE1 TYR 17 HE1 TYR 17 7.179 -5.902 9.981 122 HE2 TYR 17 HE2 TYR 17 4.917 -6.886 6.499 123 HH TYR 17 HH TYR 17 7.135 -7.801 7.208 124 H ASN 18 H ASN 18 3.616 -4.511 11.192 125 HA ASN 18 HA ASN 18 3.022 -7.001 10.131 126 HB2 ASN 18 HB2 ASN 18 3.674 -7.916 12.205 127 HB3 ASN 18 HB3 ASN 18 4.593 -6.424 12.051 128 HD21 ASN 18 HD21 ASN 18 3.170 -4.469 12.934 129 HD22 ASN 18 HD22 ASN 18 2.570 -4.728 14.531 130 H GLU 19 H GLU 19 1.044 -4.992 12.280 131 HA GLU 19 HA GLU 19 -0.925 -7.048 12.644 132 HB2 GLU 19 HB2 GLU 19 -2.247 -5.202 13.729 133 HB3 GLU 19 HB3 GLU 19 -0.672 -5.525 14.439 134 HG2 GLU 19 HG2 GLU 19 0.266 -3.586 13.428 135 HG3 GLU 19 HG3 GLU 19 -1.180 -3.326 12.455 136 H ILE 20 H ILE 20 -0.787 -4.066 10.704 137 HA ILE 20 HA ILE 20 -3.435 -4.260 9.737 138 HB ILE 20 HB ILE 20 -2.729 -2.666 7.985 139 HG12 ILE 20 HG12 ILE 20 0.006 -3.045 9.223 140 HG13 ILE 20 HG13 ILE 20 -0.466 -3.474 7.582 141 HG21 ILE 20 HG21 ILE 20 -3.368 -1.998 10.321 142 HG22 ILE 20 HG22 ILE 20 -2.375 -0.831 9.448 143 HG23 ILE 20 HG23 ILE 20 -1.645 -1.866 10.675 144 HD11 ILE 20 HD11 ILE 20 0.200 -1.478 6.923 145 HD12 ILE 20 HD12 ILE 20 0.520 -0.995 8.589 146 HD13 ILE 20 HD13 ILE 20 -1.083 -0.757 7.894 147 H VAL 21 H VAL 21 -0.344 -5.294 8.334 148 HA VAL 21 HA VAL 21 -1.473 -6.261 5.916 149 HB VAL 21 HB VAL 21 0.681 -7.273 5.482 150 HG11 VAL 21 HG11 VAL 21 0.457 -4.849 5.190 151 HG12 VAL 21 HG12 VAL 21 2.100 -5.303 5.641 152 HG13 VAL 21 HG13 VAL 21 1.017 -4.601 6.843 153 HG21 VAL 21 HG21 VAL 21 1.554 -8.296 7.306 154 HG22 VAL 21 HG22 VAL 21 0.972 -7.056 8.416 155 HG23 VAL 21 HG23 VAL 21 2.420 -6.766 7.452 156 H LEU 22 H LEU 22 -0.744 -7.753 9.025 157 HA LEU 22 HA LEU 22 -1.293 -10.417 8.111 158 HB2 LEU 22 HB2 LEU 22 -0.939 -9.220 10.852 159 HB3 LEU 22 HB3 LEU 22 -1.296 -10.918 10.599 160 HG LEU 22 HG LEU 22 1.134 -9.510 9.490 161 HD11 LEU 22 HD11 LEU 22 1.410 -11.541 11.605 162 HD12 LEU 22 HD12 LEU 22 0.741 -9.988 12.109 163 HD13 LEU 22 HD13 LEU 22 2.320 -10.056 11.325 164 HD21 LEU 22 HD21 LEU 22 0.967 -11.312 8.119 165 HD22 LEU 22 HD22 LEU 22 0.026 -12.249 9.279 166 HD23 LEU 22 HD23 LEU 22 1.771 -12.095 9.480 167 H ASP 23 H ASP 23 -3.231 -7.777 9.020 168 HA ASP 23 HA ASP 23 -5.389 -9.020 10.288 169 HB2 ASP 23 HB2 ASP 23 -4.818 -6.466 9.640 170 HB3 ASP 23 HB3 ASP 23 -6.009 -6.826 8.393 171 H ASP 24 H ASP 24 -6.439 -10.738 9.542 172 HA ASP 24 HA ASP 24 -6.687 -11.281 6.729 173 HB2 ASP 24 HB2 ASP 24 -6.363 -13.068 8.437 174 HB3 ASP 24 HB3 ASP 24 -7.976 -12.723 9.053 175 H THR 25 H THR 25 -8.471 -9.454 8.946 176 HA THR 25 HA THR 25 -10.937 -9.750 7.376 177 HB THR 25 HB THR 25 -11.862 -8.352 9.381 178 HG1 THR 25 HG1 THR 25 -10.130 -7.855 10.554 179 HG21 THR 25 HG21 THR 25 -12.210 -10.362 10.739 180 HG22 THR 25 HG22 THR 25 -11.042 -11.224 9.737 181 HG23 THR 25 HG23 THR 25 -12.547 -10.635 9.030 182 H LYS 26 H LYS 26 -8.367 -8.034 6.947 183 HA LYS 26 HA LYS 26 -9.809 -5.739 5.940 184 HB2 LYS 26 HB2 LYS 26 -8.076 -5.607 8.325 185 HB3 LYS 26 HB3 LYS 26 -7.767 -4.376 7.109 186 HG2 LYS 26 HG2 LYS 26 -10.567 -4.871 8.000 187 HG3 LYS 26 HG3 LYS 26 -9.474 -3.947 9.032 188 HD2 LYS 26 HD2 LYS 26 -10.335 -2.238 7.793 189 HD3 LYS 26 HD3 LYS 26 -8.987 -2.689 6.748 190 HE2 LYS 26 HE2 LYS 26 -11.165 -2.369 5.562 191 HE3 LYS 26 HE3 LYS 26 -10.419 -3.947 5.317 192 HZ1 LYS 26 HZ1 LYS 26 -12.343 -3.670 7.503 193 HZ2 LYS 26 HZ2 LYS 26 -12.031 -4.997 6.502 194 HZ3 LYS 26 HZ3 LYS 26 -12.949 -3.700 5.924 195 H ASP 27 H ASP 27 -8.810 -4.778 4.211 196 HA ASP 27 HA ASP 27 -6.414 -6.140 3.219 197 HB2 ASP 27 HB2 ASP 27 -8.719 -4.758 1.950 198 HB3 ASP 27 HB3 ASP 27 -7.170 -4.648 1.120 199 H VAL 28 H VAL 28 -4.494 -5.155 3.158 200 HA VAL 28 HA VAL 28 -4.409 -2.219 3.261 201 HB VAL 28 HB VAL 28 -2.616 -4.009 4.904 202 HG11 VAL 28 HG11 VAL 28 -2.309 -1.618 6.006 203 HG12 VAL 28 HG12 VAL 28 -2.733 -1.088 4.378 204 HG13 VAL 28 HG13 VAL 28 -1.340 -2.140 4.628 205 HG21 VAL 28 HG21 VAL 28 -4.115 -2.387 6.605 206 HG22 VAL 28 HG22 VAL 28 -4.291 -4.125 6.367 207 HG23 VAL 28 HG23 VAL 28 -5.274 -3.003 5.427 208 H LEU 29 H LEU 29 -2.637 -1.244 2.279 209 HA LEU 29 HA LEU 29 -0.849 -3.028 0.765 210 HB2 LEU 29 HB2 LEU 29 -1.486 -0.467 -0.529 211 HB3 LEU 29 HB3 LEU 29 -1.314 -2.067 -1.224 212 HG LEU 29 HG LEU 29 -3.770 -1.180 0.284 213 HD11 LEU 29 HD11 LEU 29 -3.369 -1.254 -2.701 214 HD12 LEU 29 HD12 LEU 29 -3.370 0.215 -1.724 215 HD13 LEU 29 HD13 LEU 29 -4.827 -0.773 -1.833 216 HD21 LEU 29 HD21 LEU 29 -4.094 -3.401 0.235 217 HD22 LEU 29 HD22 LEU 29 -2.884 -3.652 -1.023 218 HD23 LEU 29 HD23 LEU 29 -4.512 -3.129 -1.456 219 H ILE 30 H ILE 30 1.164 -2.703 1.439 220 HA ILE 30 HA ILE 30 1.929 -0.027 2.386 221 HB ILE 30 HB ILE 30 2.250 -1.833 4.011 222 HG12 ILE 30 HG12 ILE 30 4.821 -0.679 2.906 223 HG13 ILE 30 HG13 ILE 30 3.765 0.071 4.099 224 HG21 ILE 30 HG21 ILE 30 4.518 -3.100 2.716 225 HG22 ILE 30 HG22 ILE 30 3.013 -3.341 1.827 226 HG23 ILE 30 HG23 ILE 30 3.124 -3.822 3.519 227 HD11 ILE 30 HD11 ILE 30 4.323 -2.302 5.293 228 HD12 ILE 30 HD12 ILE 30 5.198 -0.796 5.575 229 HD13 ILE 30 HD13 ILE 30 5.823 -1.978 4.424 230 H GLU 31 H GLU 31 3.066 1.190 1.043 231 HA GLU 31 HA GLU 31 4.708 -0.124 -1.020 232 HB2 GLU 31 HB2 GLU 31 2.827 1.371 -1.767 233 HB3 GLU 31 HB3 GLU 31 3.683 2.718 -1.031 234 HG2 GLU 31 HG2 GLU 31 5.097 1.018 -3.023 235 HG3 GLU 31 HG3 GLU 31 3.917 2.202 -3.581 236 H PHE 32 H PHE 32 6.859 0.180 -1.040 237 HA PHE 32 HA PHE 32 7.982 1.981 0.987 238 HB2 PHE 32 HB2 PHE 32 8.941 -0.549 -0.290 239 HB3 PHE 32 HB3 PHE 32 10.118 0.582 0.370 240 HD1 PHE 32 HD1 PHE 32 9.837 1.289 2.806 241 HD2 PHE 32 HD2 PHE 32 7.849 -2.062 1.095 242 HE1 PHE 32 HE1 PHE 32 9.467 0.363 5.056 243 HE2 PHE 32 HE2 PHE 32 7.475 -2.993 3.341 244 HZ PHE 32 HZ PHE 32 8.283 -1.780 5.325 245 H TYR 33 H TYR 33 9.003 3.766 0.421 246 HA TYR 33 HA TYR 33 10.446 3.961 -2.081 247 HB2 TYR 33 HB2 TYR 33 9.248 5.828 -2.970 248 HB3 TYR 33 HB3 TYR 33 8.053 4.592 -2.597 249 HD1 TYR 33 HD2 TYR 33 6.590 4.852 -0.603 250 HD2 TYR 33 HD1 TYR 33 9.225 7.942 -1.870 251 HE1 TYR 33 HE2 TYR 33 5.340 6.470 0.763 252 HE2 TYR 33 HE1 TYR 33 7.984 9.568 -0.506 253 HH TYR 33 HH TYR 33 6.504 9.639 1.384 254 H ALA 34 H ALA 34 11.463 6.242 -2.245 255 HA ALA 34 HA ALA 34 11.934 7.443 0.378 256 HB1 ALA 34 HB1 ALA 34 13.757 6.068 0.511 257 HB2 ALA 34 HB2 ALA 34 14.465 7.435 -0.350 258 HB3 ALA 34 HB3 ALA 34 13.968 5.995 -1.239 259 HA PRO 35 HA PRO 35 11.956 11.266 -1.809 260 HB2 PRO 35 HB2 PRO 35 13.929 12.649 -0.492 261 HB3 PRO 35 HB3 PRO 35 12.289 12.429 0.125 262 HG2 PRO 35 HG2 PRO 35 14.789 10.943 0.811 263 HG3 PRO 35 HG3 PRO 35 13.475 11.480 1.873 264 HD2 PRO 35 HD2 PRO 35 13.703 8.921 1.048 265 HD3 PRO 35 HD3 PRO 35 12.126 9.690 1.318 266 H TRP 36 H TRP 36 15.340 10.443 -0.997 267 HA TRP 36 HA TRP 36 16.461 11.651 -3.274 268 HB2 TRP 36 HB2 TRP 36 18.459 10.202 -2.743 269 HB3 TRP 36 HB3 TRP 36 17.881 11.193 -1.406 270 HD1 TRP 36 HD1 TRP 36 17.814 7.530 -2.623 271 HE1 TRP 36 HE1 TRP 36 17.501 6.009 -0.570 272 HE3 TRP 36 HE3 TRP 36 17.115 11.120 0.950 273 HZ2 TRP 36 HZ2 TRP 36 17.022 6.293 2.197 274 HZ3 TRP 36 HZ3 TRP 36 16.735 10.411 3.275 275 HH2 TRP 36 HH2 TRP 36 16.689 8.047 3.884 276 H CYS 37 H CYS 37 14.757 8.722 -2.883 277 HA CYS 37 HA CYS 37 15.739 6.921 -4.646 278 HB2 CYS 37 HB2 CYS 37 13.621 6.767 -3.283 279 HB3 CYS 37 HB3 CYS 37 12.820 7.686 -4.551 280 H GLY 38 H GLY 38 13.940 9.853 -5.470 281 HA2 GLY 38 HA2 GLY 38 13.862 11.039 -7.442 282 HA3 GLY 38 HA3 GLY 38 15.148 10.005 -8.047 283 H HIS 39 H HIS 39 14.329 7.659 -8.480 284 HA HIS 39 HA HIS 39 12.396 7.839 -10.541 285 HB2 HIS 39 HB2 HIS 39 14.018 5.674 -9.309 286 HB3 HIS 39 HB3 HIS 39 12.581 5.184 -10.200 287 HD1 HIS 39 HD1 HIS 39 13.000 4.752 -12.591 288 HD2 HIS 39 HD2 HIS 39 15.690 7.510 -11.035 289 HE1 HIS 39 HE1 HIS 39 14.569 5.298 -14.478 290 HE2 HIS 39 HE2 HIS 39 16.242 6.901 -13.488 291 H CYS 40 H CYS 40 12.272 5.715 -7.680 292 HA CYS 40 HA CYS 40 9.474 5.353 -7.869 293 HB2 CYS 40 HB2 CYS 40 9.648 4.007 -5.961 294 HB3 CYS 40 HB3 CYS 40 11.213 3.836 -6.741 295 H LYS 41 H LYS 41 11.298 7.950 -6.674 296 HA LYS 41 HA LYS 41 9.892 8.864 -4.484 297 HB2 LYS 41 HB2 LYS 41 11.960 9.868 -5.647 298 HB3 LYS 41 HB3 LYS 41 10.809 10.729 -6.660 299 HG2 LYS 41 HG2 LYS 41 9.834 11.310 -4.212 300 HG3 LYS 41 HG3 LYS 41 11.555 11.162 -3.851 301 HD2 LYS 41 HD2 LYS 41 12.097 12.809 -5.524 302 HD3 LYS 41 HD3 LYS 41 10.416 12.877 -6.056 303 HE2 LYS 41 HE2 LYS 41 11.071 13.457 -3.204 304 HE3 LYS 41 HE3 LYS 41 11.382 14.690 -4.425 305 HZ1 LYS 41 HZ1 LYS 41 9.125 14.796 -4.982 306 HZ2 LYS 41 HZ2 LYS 41 9.139 14.742 -3.291 307 HZ3 LYS 41 HZ3 LYS 41 8.753 13.354 -4.178 308 H ALA 42 H ALA 42 8.930 8.770 -7.817 309 HA ALA 42 HA ALA 42 6.811 10.656 -7.665 310 HB1 ALA 42 HB1 ALA 42 6.485 8.506 -9.623 311 HB2 ALA 42 HB2 ALA 42 8.052 9.311 -9.692 312 HB3 ALA 42 HB3 ALA 42 6.569 10.252 -9.856 313 H LEU 43 H LEU 43 7.143 7.342 -6.732 314 HA LEU 43 HA LEU 43 4.466 6.516 -6.812 315 HB2 LEU 43 HB2 LEU 43 6.863 5.387 -6.083 316 HB3 LEU 43 HB3 LEU 43 6.019 5.486 -4.550 317 HG LEU 43 HG LEU 43 5.665 3.316 -5.571 318 HD11 LEU 43 HD11 LEU 43 3.130 4.923 -5.804 319 HD12 LEU 43 HD12 LEU 43 3.842 4.423 -4.270 320 HD13 LEU 43 HD13 LEU 43 3.289 3.209 -5.423 321 HD21 LEU 43 HD21 LEU 43 5.857 3.438 -7.834 322 HD22 LEU 43 HD22 LEU 43 4.992 4.971 -7.939 323 HD23 LEU 43 HD23 LEU 43 4.098 3.469 -7.705 324 H ALA 44 H ALA 44 6.105 8.689 -4.695 325 HA ALA 44 HA ALA 44 4.437 8.457 -2.426 326 HB1 ALA 44 HB1 ALA 44 5.495 11.122 -2.766 327 HB2 ALA 44 HB2 ALA 44 6.718 9.897 -3.101 328 HB3 ALA 44 HB3 ALA 44 5.877 9.903 -1.551 329 HA PRO 45 HA PRO 45 2.113 12.417 -4.091 330 HB2 PRO 45 HB2 PRO 45 2.377 12.717 -6.843 331 HB3 PRO 45 HB3 PRO 45 3.212 13.682 -5.623 332 HG2 PRO 45 HG2 PRO 45 4.191 11.340 -7.186 333 HG3 PRO 45 HG3 PRO 45 5.060 12.801 -6.686 334 HD2 PRO 45 HD2 PRO 45 5.412 10.458 -5.428 335 HD3 PRO 45 HD3 PRO 45 5.434 11.998 -4.544 336 H LYS 46 H LYS 46 2.585 9.655 -6.245 337 HA LYS 46 HA LYS 46 -0.084 9.606 -7.223 338 HB2 LYS 46 HB2 LYS 46 2.333 8.165 -7.670 339 HB3 LYS 46 HB3 LYS 46 1.066 6.997 -7.323 340 HG2 LYS 46 HG2 LYS 46 0.224 7.233 -9.355 341 HG3 LYS 46 HG3 LYS 46 0.075 8.977 -9.138 342 HD2 LYS 46 HD2 LYS 46 2.748 8.728 -9.543 343 HD3 LYS 46 HD3 LYS 46 2.130 7.411 -10.542 344 HE2 LYS 46 HE2 LYS 46 1.201 8.814 -12.038 345 HE3 LYS 46 HE3 LYS 46 0.674 9.950 -10.797 346 HZ1 LYS 46 HZ1 LYS 46 2.669 11.059 -10.838 347 HZ2 LYS 46 HZ2 LYS 46 2.513 10.628 -12.466 348 HZ3 LYS 46 HZ3 LYS 46 3.534 9.740 -11.451 349 H TYR 47 H TYR 47 1.458 8.403 -4.360 350 HA TYR 47 HA TYR 47 -0.586 6.496 -3.716 351 HB2 TYR 47 HB2 TYR 47 2.000 7.029 -2.802 352 HB3 TYR 47 HB3 TYR 47 0.957 7.391 -1.430 353 HD1 TYR 47 HD2 TYR 47 1.759 4.750 -3.917 354 HD2 TYR 47 HD1 TYR 47 0.070 5.659 -0.120 355 HE1 TYR 47 HE2 TYR 47 1.588 2.347 -3.425 356 HE2 TYR 47 HE1 TYR 47 -0.106 3.259 0.384 357 HH TYR 47 HH TYR 47 0.364 0.841 -2.002 358 H GLU 48 H GLU 48 -0.027 9.882 -3.087 359 HA GLU 48 HA GLU 48 -1.959 10.056 -0.968 360 HB2 GLU 48 HB2 GLU 48 -1.612 12.451 -1.078 361 HB3 GLU 48 HB3 GLU 48 -0.061 11.628 -1.136 362 HG2 GLU 48 HG2 GLU 48 0.400 12.353 -3.211 363 HG3 GLU 48 HG3 GLU 48 -1.274 12.236 -3.745 364 H GLU 49 H GLU 49 -1.971 10.414 -4.441 365 HA GLU 49 HA GLU 49 -4.486 11.723 -4.644 366 HB2 GLU 49 HB2 GLU 49 -2.450 10.957 -6.408 367 HB3 GLU 49 HB3 GLU 49 -3.866 10.059 -6.936 368 HG2 GLU 49 HG2 GLU 49 -4.927 12.523 -6.564 369 HG3 GLU 49 HG3 GLU 49 -3.287 12.929 -7.070 370 H LEU 50 H LEU 50 -3.509 8.325 -5.068 371 HA LEU 50 HA LEU 50 -6.168 7.374 -5.412 372 HB2 LEU 50 HB2 LEU 50 -4.362 6.094 -6.317 373 HB3 LEU 50 HB3 LEU 50 -3.576 5.985 -4.754 374 HG LEU 50 HG LEU 50 -5.329 4.518 -3.928 375 HD11 LEU 50 HD11 LEU 50 -6.633 5.285 -6.483 376 HD12 LEU 50 HD12 LEU 50 -7.330 5.049 -4.880 377 HD13 LEU 50 HD13 LEU 50 -6.900 3.654 -5.868 378 HD21 LEU 50 HD21 LEU 50 -4.480 2.662 -4.894 379 HD22 LEU 50 HD22 LEU 50 -3.369 3.818 -5.628 380 HD23 LEU 50 HD23 LEU 50 -4.772 3.247 -6.532 381 H GLY 51 H GLY 51 -4.096 7.912 -2.654 382 HA2 GLY 51 HA2 GLY 51 -5.359 6.320 -0.741 383 HA3 GLY 51 HA3 GLY 51 -4.506 7.817 -0.399 384 H ALA 52 H ALA 52 -6.006 9.725 -1.561 385 HA ALA 52 HA ALA 52 -8.170 10.005 0.240 386 HB1 ALA 52 HB1 ALA 52 -8.151 11.692 -2.184 387 HB2 ALA 52 HB2 ALA 52 -6.706 11.753 -1.175 388 HB3 ALA 52 HB3 ALA 52 -8.281 12.145 -0.485 389 H LEU 53 H LEU 53 -7.964 9.105 -3.165 390 HA LEU 53 HA LEU 53 -10.730 9.150 -3.715 391 HB2 LEU 53 HB2 LEU 53 -8.295 8.223 -5.023 392 HB3 LEU 53 HB3 LEU 53 -9.672 7.193 -5.367 393 HG LEU 53 HG LEU 53 -9.893 10.164 -5.700 394 HD11 LEU 53 HD11 LEU 53 -7.887 9.465 -6.931 395 HD12 LEU 53 HD12 LEU 53 -9.194 9.953 -8.011 396 HD13 LEU 53 HD13 LEU 53 -8.842 8.241 -7.770 397 HD21 LEU 53 HD21 LEU 53 -11.400 7.744 -6.486 398 HD22 LEU 53 HD22 LEU 53 -11.343 9.062 -7.657 399 HD23 LEU 53 HD23 LEU 53 -11.979 9.349 -6.037 400 H TYR 54 H TYR 54 -8.610 6.334 -3.151 401 HA TYR 54 HA TYR 54 -10.621 4.420 -2.976 402 HB2 TYR 54 HB2 TYR 54 -7.827 4.489 -2.662 403 HB3 TYR 54 HB3 TYR 54 -8.454 3.786 -1.176 404 HD1 TYR 54 HD1 TYR 54 -10.706 2.197 -2.005 405 HD2 TYR 54 HD2 TYR 54 -6.990 2.796 -3.988 406 HE1 TYR 54 HE1 TYR 54 -10.971 0.033 -3.142 407 HE2 TYR 54 HE2 TYR 54 -7.245 0.634 -5.131 408 HH TYR 54 HH TYR 54 -10.186 -1.128 -5.098 409 H ALA 55 H ALA 55 -9.529 6.746 -0.636 410 HA ALA 55 HA ALA 55 -10.797 5.451 1.606 411 HB1 ALA 55 HB1 ALA 55 -8.741 6.918 1.737 412 HB2 ALA 55 HB2 ALA 55 -10.010 7.254 2.914 413 HB3 ALA 55 HB3 ALA 55 -9.820 8.293 1.502 414 H LYS 56 H LYS 56 -11.581 7.985 -0.686 415 HA LYS 56 HA LYS 56 -13.903 8.890 0.739 416 HB2 LYS 56 HB2 LYS 56 -12.382 10.047 -1.139 417 HB3 LYS 56 HB3 LYS 56 -13.643 9.396 -2.176 418 HG2 LYS 56 HG2 LYS 56 -14.094 11.209 0.186 419 HG3 LYS 56 HG3 LYS 56 -14.083 11.710 -1.507 420 HD2 LYS 56 HD2 LYS 56 -15.930 9.995 -1.862 421 HD3 LYS 56 HD3 LYS 56 -16.048 9.917 -0.103 422 HE2 LYS 56 HE2 LYS 56 -17.643 11.502 -1.271 423 HE3 LYS 56 HE3 LYS 56 -16.697 12.176 0.056 424 HZ1 LYS 56 HZ1 LYS 56 -16.901 13.418 -2.219 425 HZ2 LYS 56 HZ2 LYS 56 -15.633 12.392 -2.666 426 HZ3 LYS 56 HZ3 LYS 56 -15.448 13.439 -1.351 427 H SER 57 H SER 57 -13.221 6.522 -1.732 428 HA SER 57 HA SER 57 -15.788 6.135 -2.762 429 HB2 SER 57 HB2 SER 57 -13.470 4.226 -2.431 430 HB3 SER 57 HB3 SER 57 -14.952 3.800 -3.286 431 HG SER 57 HG SER 57 -14.456 5.168 -4.871 432 H GLU 58 H GLU 58 -16.896 3.863 -2.442 433 HA GLU 58 HA GLU 58 -17.957 3.881 0.201 434 HB2 GLU 58 HB2 GLU 58 -18.395 2.163 -2.223 435 HB3 GLU 58 HB3 GLU 58 -19.123 1.739 -0.679 436 HG2 GLU 58 HG2 GLU 58 -20.626 3.414 -0.769 437 HG3 GLU 58 HG3 GLU 58 -19.510 4.521 -1.568 438 H PHE 59 H PHE 59 -15.203 2.442 -1.105 439 HA PHE 59 HA PHE 59 -15.235 0.193 0.760 440 HB2 PHE 59 HB2 PHE 59 -13.054 0.860 -1.213 441 HB3 PHE 59 HB3 PHE 59 -13.387 -0.690 -0.448 442 HD1 PHE 59 HD2 PHE 59 -15.560 -1.868 -1.051 443 HD2 PHE 59 HD1 PHE 59 -13.973 1.388 -3.284 444 HE1 PHE 59 HE2 PHE 59 -16.936 -2.527 -2.981 445 HE2 PHE 59 HE1 PHE 59 -15.346 0.736 -5.219 446 HZ PHE 59 HZ PHE 59 -16.830 -1.224 -5.069 447 H LYS 60 H LYS 60 -15.105 2.776 1.899 448 HA LYS 60 HA LYS 60 -12.417 3.482 2.535 449 HB2 LYS 60 HB2 LYS 60 -13.431 4.967 4.214 450 HB3 LYS 60 HB3 LYS 60 -14.201 5.135 2.643 451 HG2 LYS 60 HG2 LYS 60 -15.514 3.153 4.306 452 HG3 LYS 60 HG3 LYS 60 -15.470 4.748 5.058 453 HD2 LYS 60 HD2 LYS 60 -16.543 5.743 3.162 454 HD3 LYS 60 HD3 LYS 60 -16.410 4.245 2.238 455 HE2 LYS 60 HE2 LYS 60 -18.155 4.825 4.615 456 HE3 LYS 60 HE3 LYS 60 -18.645 4.347 2.990 457 HZ1 LYS 60 HZ1 LYS 60 -17.302 2.228 3.520 458 HZ2 LYS 60 HZ2 LYS 60 -18.849 2.401 4.181 459 HZ3 LYS 60 HZ3 LYS 60 -17.484 2.697 5.136 460 H ASP 61 H ASP 61 -14.790 1.335 3.924 461 HA ASP 61 HA ASP 61 -13.002 0.801 6.195 462 HB2 ASP 61 HB2 ASP 61 -15.600 1.349 6.350 463 HB3 ASP 61 HB3 ASP 61 -15.736 -0.381 6.050 464 H ARG 62 H ARG 62 -12.986 -0.237 3.273 465 HA ARG 62 HA ARG 62 -12.893 -3.102 3.957 466 HB2 ARG 62 HB2 ARG 62 -13.795 -1.660 1.512 467 HB3 ARG 62 HB3 ARG 62 -13.006 -3.216 1.298 468 HG2 ARG 62 HG2 ARG 62 -14.742 -4.370 2.160 469 HG3 ARG 62 HG3 ARG 62 -15.143 -3.110 3.328 470 HD2 ARG 62 1HD ARG 62 -15.830 -1.788 1.156 471 HD3 ARG 62 2HD ARG 62 -15.984 -3.412 0.487 472 HE ARG 62 HE ARG 62 -17.710 -2.157 2.412 473 HH11 ARG 62 HH11 ARG 62 -16.570 -5.205 1.152 474 HH12 ARG 62 HH12 ARG 62 -17.971 -6.084 1.665 475 HH21 ARG 62 HH21 ARG 62 -19.554 -3.311 3.087 476 HH22 ARG 62 HH22 ARG 62 -19.665 -5.009 2.763 477 H VAL 63 H VAL 63 -11.330 -0.494 2.153 478 HA VAL 63 HA VAL 63 -8.830 -2.051 2.228 479 HB VAL 63 HB VAL 63 -9.715 -1.955 -0.073 480 HG11 VAL 63 HG11 VAL 63 -9.122 0.832 -0.574 481 HG12 VAL 63 HG12 VAL 63 -10.435 0.641 0.588 482 HG13 VAL 63 HG13 VAL 63 -10.548 -0.114 -1.002 483 HG21 VAL 63 HG21 VAL 63 -7.330 -2.113 0.224 484 HG22 VAL 63 HG22 VAL 63 -7.201 -0.365 0.417 485 HG23 VAL 63 HG23 VAL 63 -7.671 -1.048 -1.139 486 H VAL 64 H VAL 64 -6.902 -0.861 2.509 487 HA VAL 64 HA VAL 64 -7.197 1.978 3.174 488 HB VAL 64 HB VAL 64 -7.388 0.753 5.295 489 HG11 VAL 64 HG11 VAL 64 -4.574 -0.117 5.278 490 HG12 VAL 64 HG12 VAL 64 -5.671 -1.045 4.254 491 HG13 VAL 64 HG13 VAL 64 -5.999 -0.884 5.979 492 HG21 VAL 64 HG21 VAL 64 -5.923 2.955 4.826 493 HG22 VAL 64 HG22 VAL 64 -4.686 1.917 5.534 494 HG23 VAL 64 HG23 VAL 64 -6.160 2.271 6.435 495 H ILE 65 H ILE 65 -5.709 3.129 2.158 496 HA ILE 65 HA ILE 65 -3.398 1.813 0.986 497 HB ILE 65 HB ILE 65 -4.091 4.739 0.782 498 HG12 ILE 65 HG12 ILE 65 -6.035 3.334 0.117 499 HG13 ILE 65 HG13 ILE 65 -5.356 4.248 -1.226 500 HG21 ILE 65 HG21 ILE 65 -1.975 4.499 -0.082 501 HG22 ILE 65 HG22 ILE 65 -2.962 4.246 -1.521 502 HG23 ILE 65 HG23 ILE 65 -2.281 2.863 -0.665 503 HD11 ILE 65 HD11 ILE 65 -4.186 2.241 -1.987 504 HD12 ILE 65 HD12 ILE 65 -5.931 1.998 -1.907 505 HD13 ILE 65 HD13 ILE 65 -4.889 1.332 -0.650 506 H ALA 66 H ALA 66 -1.664 1.554 2.240 507 HA ALA 66 HA ALA 66 -0.936 3.731 4.088 508 HB1 ALA 66 HB1 ALA 66 -0.357 2.234 5.667 509 HB2 ALA 66 HB2 ALA 66 0.297 1.090 4.494 510 HB3 ALA 66 HB3 ALA 66 -1.443 1.172 4.770 511 H LYS 67 H LYS 67 0.909 4.781 3.764 512 HA LYS 67 HA LYS 67 2.829 3.651 1.836 513 HB2 LYS 67 HB2 LYS 67 3.494 5.933 1.315 514 HB3 LYS 67 HB3 LYS 67 1.761 5.742 1.090 515 HG2 LYS 67 HG2 LYS 67 1.344 7.392 2.500 516 HG3 LYS 67 HG3 LYS 67 2.290 6.608 3.766 517 HD2 LYS 67 HD2 LYS 67 3.961 7.816 1.714 518 HD3 LYS 67 HD3 LYS 67 2.901 8.989 2.496 519 HE2 LYS 67 HE2 LYS 67 4.492 9.084 4.070 520 HE3 LYS 67 HE3 LYS 67 3.817 7.554 4.628 521 HZ1 LYS 67 HZ1 LYS 67 5.899 7.573 2.546 522 HZ2 LYS 67 HZ2 LYS 67 5.506 6.355 3.650 523 HZ3 LYS 67 HZ3 LYS 67 6.334 7.734 4.173 524 H VAL 68 H VAL 68 5.012 3.665 2.317 525 HA VAL 68 HA VAL 68 5.921 4.782 4.841 526 HB VAL 68 HB VAL 68 5.076 2.571 5.492 527 HG11 VAL 68 HG11 VAL 68 6.305 0.552 4.650 528 HG12 VAL 68 HG12 VAL 68 7.001 1.581 3.399 529 HG13 VAL 68 HG13 VAL 68 5.256 1.335 3.469 530 HG21 VAL 68 HG21 VAL 68 8.091 2.668 5.516 531 HG22 VAL 68 HG22 VAL 68 7.056 1.779 6.633 532 HG23 VAL 68 HG23 VAL 68 7.039 3.543 6.629 533 H ASP 69 H ASP 69 8.239 4.749 5.071 534 HA ASP 69 HA ASP 69 9.579 4.810 2.476 535 HB2 ASP 69 HB2 ASP 69 10.674 5.733 5.137 536 HB3 ASP 69 HB3 ASP 69 11.271 6.142 3.531 537 H ALA 70 H ALA 70 11.478 3.669 2.042 538 HA ALA 70 HA ALA 70 11.708 1.149 3.402 539 HB1 ALA 70 HB1 ALA 70 13.760 1.045 1.721 540 HB2 ALA 70 HB2 ALA 70 12.881 2.378 0.971 541 HB3 ALA 70 HB3 ALA 70 12.096 0.813 1.186 542 H THR 71 H THR 71 12.230 2.900 5.340 543 HA THR 71 HA THR 71 15.094 2.524 5.812 544 HB THR 71 HB THR 71 15.458 4.727 6.544 545 HG1 THR 71 HG1 THR 71 13.920 6.041 7.233 546 HG21 THR 71 HG21 THR 71 14.489 6.238 4.772 547 HG22 THR 71 HG22 THR 71 13.676 4.808 4.133 548 HG23 THR 71 HG23 THR 71 15.438 4.866 4.201 549 H ALA 72 H ALA 72 12.428 1.346 6.723 550 HA ALA 72 HA ALA 72 12.331 2.009 9.535 551 HB1 ALA 72 HB1 ALA 72 10.379 0.788 9.638 552 HB2 ALA 72 HB2 ALA 72 10.874 -0.312 8.351 553 HB3 ALA 72 HB3 ALA 72 10.369 1.332 7.961 554 H ASN 73 H ASN 73 11.986 -0.166 10.938 555 HA ASN 73 HA ASN 73 14.413 -1.783 10.508 556 HB2 ASN 73 HB2 ASN 73 13.219 -1.314 13.227 557 HB3 ASN 73 HB3 ASN 73 14.861 -1.792 12.809 558 HD21 ASN 73 HD21 ASN 73 12.566 0.876 12.618 559 HD22 ASN 73 HD22 ASN 73 13.747 2.135 12.676 560 H ASP 74 H ASP 74 14.339 -3.984 11.181 561 HA ASP 74 HA ASP 74 13.408 -6.057 11.257 562 HB2 ASP 74 HB2 ASP 74 12.633 -5.232 13.459 563 HB3 ASP 74 HB3 ASP 74 11.161 -4.632 12.700 564 H VAL 75 H VAL 75 13.069 -4.843 8.852 565 HA VAL 75 HA VAL 75 10.424 -5.834 8.039 566 HB VAL 75 HB VAL 75 10.288 -3.400 8.062 567 HG11 VAL 75 HG11 VAL 75 12.217 -3.035 5.865 568 HG12 VAL 75 HG12 VAL 75 12.908 -3.366 7.454 569 HG13 VAL 75 HG13 VAL 75 11.833 -1.985 7.230 570 HG21 VAL 75 HG21 VAL 75 10.440 -3.726 5.169 571 HG22 VAL 75 HG22 VAL 75 9.050 -3.388 6.201 572 HG23 VAL 75 HG23 VAL 75 9.597 -5.049 5.974 573 HA PRO 76 HA PRO 76 13.627 -7.937 5.502 574 HB2 PRO 76 HB2 PRO 76 12.204 -10.226 5.182 575 HB3 PRO 76 HB3 PRO 76 13.194 -9.906 6.611 576 HG2 PRO 76 HG2 PRO 76 10.237 -9.603 6.249 577 HG3 PRO 76 HG3 PRO 76 11.132 -10.289 7.618 578 HD2 PRO 76 HD2 PRO 76 10.137 -7.773 7.647 579 HD3 PRO 76 HD3 PRO 76 11.634 -8.215 8.492 580 H ASP 77 H ASP 77 12.921 -6.203 3.964 581 HA ASP 77 HA ASP 77 10.993 -7.229 1.989 582 HB2 ASP 77 HB2 ASP 77 10.771 -4.873 1.239 583 HB3 ASP 77 HB3 ASP 77 10.289 -5.103 2.917 584 H GLU 78 H GLU 78 12.567 -8.541 0.956 585 HA GLU 78 HA GLU 78 14.872 -7.239 -0.246 586 HB2 GLU 78 HB2 GLU 78 13.938 -10.047 0.082 587 HB3 GLU 78 HB3 GLU 78 14.990 -9.696 -1.283 588 HG2 GLU 78 HG2 GLU 78 16.298 -8.456 0.758 589 HG3 GLU 78 HG3 GLU 78 15.594 -9.853 1.571 590 H ILE 79 H ILE 79 14.509 -6.060 -2.015 591 HA ILE 79 HA ILE 79 12.914 -7.257 -4.167 592 HB ILE 79 HB ILE 79 11.851 -5.139 -4.684 593 HG12 ILE 79 HG12 ILE 79 13.700 -3.709 -3.756 594 HG13 ILE 79 HG13 ILE 79 12.083 -3.174 -3.324 595 HG21 ILE 79 HG21 ILE 79 11.153 -6.836 -2.700 596 HG22 ILE 79 HG22 ILE 79 10.159 -5.488 -3.252 597 HG23 ILE 79 HG23 ILE 79 11.182 -5.304 -1.828 598 HD11 ILE 79 HD11 ILE 79 14.282 -3.863 -1.634 599 HD12 ILE 79 HD12 ILE 79 12.898 -4.894 -1.270 600 HD13 ILE 79 HD13 ILE 79 12.730 -3.140 -1.212 601 H GLN 80 H GLN 80 13.320 -6.308 -6.288 602 HA GLN 80 HA GLN 80 16.138 -5.801 -6.649 603 HB2 GLN 80 HB2 GLN 80 14.440 -7.212 -8.119 604 HB3 GLN 80 HB3 GLN 80 14.204 -5.661 -8.915 605 HG2 GLN 80 HG2 GLN 80 17.009 -6.259 -8.545 606 HG3 GLN 80 HG3 GLN 80 16.179 -7.524 -9.449 607 HE21 GLN 80 HE21 GLN 80 16.488 -3.997 -9.294 608 HE22 GLN 80 HE22 GLN 80 16.423 -3.742 -11.001 609 H GLY 81 H GLY 81 13.099 -4.041 -7.202 610 HA2 GLY 81 HA2 GLY 81 14.723 -1.604 -7.619 611 HA3 GLY 81 HA3 GLY 81 13.166 -1.876 -8.385 612 H PHE 82 H PHE 82 14.287 0.222 -6.493 613 HA PHE 82 HA PHE 82 13.278 0.162 -3.999 614 HB2 PHE 82 HB2 PHE 82 14.038 2.209 -5.860 615 HB3 PHE 82 HB3 PHE 82 12.761 2.746 -4.763 616 HD1 PHE 82 HD2 PHE 82 13.102 1.865 -2.292 617 HD2 PHE 82 HD1 PHE 82 16.166 2.533 -5.162 618 HE1 PHE 82 HE2 PHE 82 14.765 2.077 -0.476 619 HE2 PHE 82 HE1 PHE 82 17.821 2.719 -3.384 620 HZ PHE 82 HZ PHE 82 17.136 2.507 -1.018 621 HA PRO 83 HA PRO 83 9.152 1.728 -5.045 622 HB2 PRO 83 HB2 PRO 83 8.024 1.088 -7.464 623 HB3 PRO 83 HB3 PRO 83 8.834 2.618 -7.120 624 HG2 PRO 83 HG2 PRO 83 9.872 0.204 -8.530 625 HG3 PRO 83 HG3 PRO 83 10.138 1.918 -8.895 626 HD2 PRO 83 HD2 PRO 83 11.963 0.362 -7.601 627 HD3 PRO 83 HD3 PRO 83 11.825 2.112 -7.345 628 H THR 84 H THR 84 9.240 -0.008 -3.566 629 HA THR 84 HA THR 84 8.437 -2.645 -4.426 630 HB THR 84 HB THR 84 9.679 -1.418 -2.095 631 HG1 THR 84 HG1 THR 84 10.631 -3.418 -2.003 632 HG21 THR 84 HG21 THR 84 7.712 -3.631 -1.525 633 HG22 THR 84 HG22 THR 84 7.555 -1.960 -0.981 634 HG23 THR 84 HG23 THR 84 8.894 -2.954 -0.405 635 H ILE 85 H ILE 85 6.480 -3.574 -4.166 636 HA ILE 85 HA ILE 85 4.378 -2.024 -2.811 637 HB ILE 85 HB ILE 85 3.942 -3.534 -5.387 638 HG12 ILE 85 HG12 ILE 85 4.050 -0.534 -5.067 639 HG13 ILE 85 HG13 ILE 85 5.439 -1.485 -5.583 640 HG21 ILE 85 HG21 ILE 85 1.908 -1.789 -5.197 641 HG22 ILE 85 HG22 ILE 85 2.224 -2.075 -3.486 642 HG23 ILE 85 HG23 ILE 85 1.848 -3.429 -4.552 643 HD11 ILE 85 HD11 ILE 85 2.917 -1.882 -7.070 644 HD12 ILE 85 HD12 ILE 85 4.586 -1.861 -7.641 645 HD13 ILE 85 HD13 ILE 85 3.755 -0.346 -7.289 646 H LYS 86 H LYS 86 3.838 -3.222 -1.103 647 HA LYS 86 HA LYS 86 3.740 -6.143 -1.390 648 HB2 LYS 86 HB2 LYS 86 4.469 -4.328 0.774 649 HB3 LYS 86 HB3 LYS 86 3.337 -5.569 1.292 650 HG2 LYS 86 HG2 LYS 86 5.488 -6.430 1.695 651 HG3 LYS 86 HG3 LYS 86 4.897 -7.255 0.251 652 HD2 LYS 86 HD2 LYS 86 6.261 -5.955 -1.171 653 HD3 LYS 86 HD3 LYS 86 6.617 -4.792 0.108 654 HE2 LYS 86 HE2 LYS 86 7.718 -6.731 1.338 655 HE3 LYS 86 HE3 LYS 86 7.615 -7.613 -0.185 656 HZ1 LYS 86 HZ1 LYS 86 9.013 -6.047 -1.236 657 HZ2 LYS 86 HZ2 LYS 86 9.761 -6.424 0.233 658 HZ3 LYS 86 HZ3 LYS 86 8.924 -4.965 0.062 659 H LEU 87 H LEU 87 1.833 -7.056 -1.685 660 HA LEU 87 HA LEU 87 -0.581 -5.603 -0.854 661 HB2 LEU 87 HB2 LEU 87 0.089 -6.800 -3.265 662 HB3 LEU 87 HB3 LEU 87 -1.003 -7.953 -2.521 663 HG LEU 87 HG LEU 87 -2.250 -6.465 -3.953 664 HD11 LEU 87 HD11 LEU 87 -3.428 -7.202 -2.007 665 HD12 LEU 87 HD12 LEU 87 -3.832 -5.508 -2.287 666 HD13 LEU 87 HD13 LEU 87 -2.685 -5.943 -1.020 667 HD21 LEU 87 HD21 LEU 87 -2.380 -4.027 -3.346 668 HD22 LEU 87 HD22 LEU 87 -0.857 -4.548 -4.065 669 HD23 LEU 87 HD23 LEU 87 -0.965 -4.284 -2.325 670 H TYR 88 H TYR 88 -1.811 -6.355 0.741 671 HA TYR 88 HA TYR 88 -1.577 -9.182 1.507 672 HB2 TYR 88 HB2 TYR 88 -1.106 -6.770 3.181 673 HB3 TYR 88 HB3 TYR 88 -1.958 -8.117 3.929 674 HD1 TYR 88 HD1 TYR 88 -0.841 -10.353 4.057 675 HD2 TYR 88 HD2 TYR 88 1.232 -6.860 2.790 676 HE1 TYR 88 HE1 TYR 88 1.304 -11.483 4.470 677 HE2 TYR 88 HE2 TYR 88 3.382 -7.981 3.198 678 HH TYR 88 HH TYR 88 3.697 -10.760 4.990 679 HA PRO 89 HA PRO 89 -6.014 -8.194 1.112 680 HB2 PRO 89 HB2 PRO 89 -6.770 -10.518 0.018 681 HB3 PRO 89 HB3 PRO 89 -5.957 -9.271 -0.937 682 HG2 PRO 89 HG2 PRO 89 -4.833 -11.766 0.272 683 HG3 PRO 89 HG3 PRO 89 -4.528 -11.060 -1.326 684 HD2 PRO 89 HD2 PRO 89 -2.855 -10.769 0.838 685 HD3 PRO 89 HD3 PRO 89 -2.937 -9.630 -0.519 686 H ALA 90 H ALA 90 -7.830 -8.922 2.253 687 HA ALA 90 HA ALA 90 -7.240 -10.321 4.694 688 HB1 ALA 90 HB1 ALA 90 -8.979 -9.175 5.470 689 HB2 ALA 90 HB2 ALA 90 -10.056 -9.879 4.264 690 HB3 ALA 90 HB3 ALA 90 -9.126 -8.431 3.878 691 H GLY 91 H GLY 91 -7.252 -12.456 4.890 692 HA2 GLY 91 HA2 GLY 91 -8.656 -14.463 4.878 693 HA3 GLY 91 HA3 GLY 91 -9.181 -13.997 3.267 694 H ALA 92 H ALA 92 -6.614 -13.279 2.255 695 HA ALA 92 HA ALA 92 -5.346 -15.938 2.145 696 HB1 ALA 92 HB1 ALA 92 -6.567 -14.998 0.072 697 HB2 ALA 92 HB2 ALA 92 -4.964 -15.705 -0.131 698 HB3 ALA 92 HB3 ALA 92 -5.156 -13.953 -0.087 699 H LYS 93 H LYS 93 -4.849 -13.200 3.644 700 HA LYS 93 HA LYS 93 -2.367 -12.215 2.808 701 HB2 LYS 93 HB2 LYS 93 -2.165 -11.362 5.156 702 HB3 LYS 93 HB3 LYS 93 -3.670 -10.937 4.356 703 HG2 LYS 93 HG2 LYS 93 -4.277 -11.552 6.530 704 HG3 LYS 93 HG3 LYS 93 -4.686 -12.949 5.533 705 HD2 LYS 93 HD2 LYS 93 -2.862 -14.187 6.314 706 HD3 LYS 93 HD3 LYS 93 -2.034 -12.752 6.923 707 HE2 LYS 93 HE2 LYS 93 -2.854 -13.314 8.922 708 HE3 LYS 93 HE3 LYS 93 -4.407 -12.741 8.316 709 HZ1 LYS 93 HZ1 LYS 93 -3.446 -15.539 8.072 710 HZ2 LYS 93 HZ2 LYS 93 -4.979 -14.956 7.659 711 HZ3 LYS 93 HZ3 LYS 93 -4.497 -14.992 9.280 712 H GLY 94 H GLY 94 -0.546 -12.315 4.768 713 HA2 GLY 94 HA2 GLY 94 0.694 -13.841 6.157 714 HA3 GLY 94 HA3 GLY 94 -0.014 -15.171 5.253 715 H GLN 95 H GLN 95 0.523 -13.416 2.765 716 HA GLN 95 HA GLN 95 3.411 -13.929 2.572 717 HB2 GLN 95 HB2 GLN 95 2.787 -14.448 0.067 718 HB3 GLN 95 HB3 GLN 95 2.682 -15.698 1.297 719 HG2 GLN 95 HG2 GLN 95 0.716 -15.913 0.069 720 HG3 GLN 95 HG3 GLN 95 0.231 -15.040 1.521 721 HE21 GLN 95 HE21 GLN 95 -0.788 -13.158 1.297 722 HE22 GLN 95 HE22 GLN 95 -0.976 -12.295 -0.187 723 HA PRO 96 HA PRO 96 3.230 -9.638 1.293 724 HB2 PRO 96 HB2 PRO 96 5.881 -9.323 0.813 725 HB3 PRO 96 HB3 PRO 96 5.199 -9.341 2.444 726 HG2 PRO 96 HG2 PRO 96 6.559 -11.540 0.934 727 HG3 PRO 96 HG3 PRO 96 6.752 -11.063 2.631 728 HD2 PRO 96 HD2 PRO 96 5.229 -13.170 1.875 729 HD3 PRO 96 HD3 PRO 96 4.843 -12.172 3.292 730 H VAL 97 H VAL 97 2.242 -9.479 -0.664 731 HA VAL 97 HA VAL 97 3.337 -10.729 -3.019 732 HB VAL 97 HB VAL 97 1.093 -8.714 -2.863 733 HG11 VAL 97 HG11 VAL 97 1.124 -10.814 -4.926 734 HG12 VAL 97 HG12 VAL 97 2.378 -9.582 -5.073 735 HG13 VAL 97 HG13 VAL 97 0.679 -9.111 -5.042 736 HG21 VAL 97 HG21 VAL 97 0.426 -11.556 -3.170 737 HG22 VAL 97 HG22 VAL 97 -0.358 -10.301 -2.209 738 HG23 VAL 97 HG23 VAL 97 1.080 -11.115 -1.592 739 H THR 98 H THR 98 5.168 -9.885 -3.812 740 HA THR 98 HA THR 98 5.556 -6.994 -3.821 741 HB THR 98 HB THR 98 7.839 -7.668 -4.765 742 HG1 THR 98 HG1 THR 98 7.108 -10.221 -3.799 743 HG21 THR 98 HG21 THR 98 7.869 -9.063 -2.246 744 HG22 THR 98 HG22 THR 98 6.946 -7.563 -2.145 745 HG23 THR 98 HG23 THR 98 8.619 -7.533 -2.701 746 H TYR 99 H TYR 99 5.303 -5.753 -5.559 747 HA TYR 99 HA TYR 99 4.203 -6.815 -7.954 748 HB2 TYR 99 HB2 TYR 99 4.995 -4.111 -6.980 749 HB3 TYR 99 HB3 TYR 99 4.782 -4.331 -8.714 750 HD1 TYR 99 HD1 TYR 99 2.920 -5.675 -5.766 751 HD2 TYR 99 HD2 TYR 99 2.774 -3.382 -9.347 752 HE1 TYR 99 HE1 TYR 99 0.489 -5.417 -5.493 753 HE2 TYR 99 HE2 TYR 99 0.343 -3.116 -9.084 754 HH TYR 99 HH TYR 99 -1.460 -4.899 -6.732 755 H SER 100 H SER 100 5.185 -5.902 -10.123 756 HA SER 100 HA SER 100 7.967 -6.847 -10.207 757 HB2 SER 100 HB2 SER 100 5.870 -7.803 -11.618 758 HB3 SER 100 HB3 SER 100 6.447 -6.566 -12.734 759 HG SER 100 HG SER 100 7.848 -8.030 -13.284 760 H GLY 101 H GLY 101 5.897 -4.145 -10.850 761 HA2 GLY 101 HA2 GLY 101 8.088 -2.367 -11.127 762 HA3 GLY 101 HA3 GLY 101 7.382 -2.701 -12.701 763 H SER 102 H SER 102 7.327 -0.625 -10.150 764 HA SER 102 HA SER 102 4.520 -0.045 -10.051 765 HB2 SER 102 HB2 SER 102 5.076 1.663 -8.519 766 HB3 SER 102 HB3 SER 102 6.264 0.394 -8.216 767 HG SER 102 HG SER 102 7.718 1.578 -9.556 768 H ARG 103 H ARG 103 3.428 1.700 -10.945 769 HA ARG 103 HA ARG 103 4.842 3.467 -12.773 770 HB2 ARG 103 HB2 ARG 103 3.013 1.295 -13.620 771 HB3 ARG 103 HB3 ARG 103 2.784 2.853 -14.402 772 HG2 ARG 103 HG2 ARG 103 4.811 2.780 -15.458 773 HG3 ARG 103 HG3 ARG 103 5.535 1.735 -14.233 774 HD2 ARG 103 1HD ARG 103 3.925 -0.062 -15.068 775 HD3 ARG 103 2HD ARG 103 3.651 0.993 -16.454 776 HE ARG 103 HE ARG 103 6.428 0.491 -15.966 777 HH11 ARG 103 HH11 ARG 103 3.541 -0.778 -17.461 778 HH12 ARG 103 HH12 ARG 103 4.409 -1.735 -18.614 779 HH21 ARG 103 HH21 ARG 103 7.571 -0.767 -17.482 780 HH22 ARG 103 HH22 ARG 103 6.696 -1.729 -18.626 781 H THR 104 H THR 104 1.423 2.554 -12.376 782 HA THR 104 HA THR 104 0.898 5.240 -11.303 783 HB THR 104 HB THR 104 -0.956 3.905 -13.264 784 HG1 THR 104 HG1 THR 104 1.229 5.620 -13.771 785 HG21 THR 104 HG21 THR 104 -2.058 5.645 -12.118 786 HG22 THR 104 HG22 THR 104 -1.604 6.293 -13.694 787 HG23 THR 104 HG23 THR 104 -0.666 6.718 -12.262 788 H VAL 105 H VAL 105 -1.287 5.392 -10.279 789 HA VAL 105 HA VAL 105 -1.608 3.254 -8.418 790 HB VAL 105 HB VAL 105 -3.616 4.607 -7.654 791 HG11 VAL 105 HG11 VAL 105 -2.255 5.788 -6.299 792 HG12 VAL 105 HG12 VAL 105 -1.346 6.484 -7.640 793 HG13 VAL 105 HG13 VAL 105 -0.990 4.847 -7.089 794 HG21 VAL 105 HG21 VAL 105 -3.265 5.832 -10.149 795 HG22 VAL 105 HG22 VAL 105 -2.781 7.036 -8.954 796 HG23 VAL 105 HG23 VAL 105 -4.384 6.305 -8.869 797 H GLU 106 H GLU 106 -3.201 4.192 -11.377 798 HA GLU 106 HA GLU 106 -5.634 2.865 -11.099 799 HB2 GLU 106 HB2 GLU 106 -5.774 2.896 -13.515 800 HB3 GLU 106 HB3 GLU 106 -5.079 4.409 -12.952 801 HG2 GLU 106 HG2 GLU 106 -2.811 3.247 -13.398 802 HG3 GLU 106 HG3 GLU 106 -3.766 2.146 -14.389 803 H ASP 107 H ASP 107 -2.449 1.633 -11.829 804 HA ASP 107 HA ASP 107 -3.346 -0.956 -12.671 805 HB2 ASP 107 HB2 ASP 107 -0.675 0.243 -12.003 806 HB3 ASP 107 HB3 ASP 107 -0.838 -1.498 -12.215 807 H LEU 108 H LEU 108 -2.458 0.537 -9.647 808 HA LEU 108 HA LEU 108 -2.133 -1.878 -8.172 809 HB2 LEU 108 HB2 LEU 108 -1.241 0.428 -7.577 810 HB3 LEU 108 HB3 LEU 108 -2.868 0.817 -7.049 811 HG LEU 108 HG LEU 108 -2.492 -1.432 -5.635 812 HD11 LEU 108 HD11 LEU 108 0.237 -0.207 -5.532 813 HD12 LEU 108 HD12 LEU 108 -0.132 -1.505 -6.667 814 HD13 LEU 108 HD13 LEU 108 -0.306 -1.775 -4.933 815 HD21 LEU 108 HD21 LEU 108 -1.825 1.421 -5.036 816 HD22 LEU 108 HD22 LEU 108 -1.591 0.173 -3.812 817 HD23 LEU 108 HD23 LEU 108 -3.195 0.453 -4.490 818 H ILE 109 H ILE 109 -4.778 0.492 -8.410 819 HA ILE 109 HA ILE 109 -6.571 -0.755 -6.681 820 HB ILE 109 HB ILE 109 -6.947 1.501 -7.509 821 HG12 ILE 109 HG12 ILE 109 -9.124 -0.474 -8.230 822 HG13 ILE 109 HG13 ILE 109 -8.903 0.350 -6.690 823 HG21 ILE 109 HG21 ILE 109 -6.090 1.060 -9.805 824 HG22 ILE 109 HG22 ILE 109 -7.589 1.988 -9.761 825 HG23 ILE 109 HG23 ILE 109 -7.625 0.274 -10.175 826 HD11 ILE 109 HD11 ILE 109 -9.148 2.476 -8.289 827 HD12 ILE 109 HD12 ILE 109 -10.520 1.671 -7.528 828 HD13 ILE 109 HD13 ILE 109 -10.103 1.308 -9.203 829 H LYS 110 H LYS 110 -6.167 -1.160 -10.191 830 HA LYS 110 HA LYS 110 -8.270 -2.993 -10.547 831 HB2 LYS 110 HB2 LYS 110 -6.728 -1.671 -12.259 832 HB3 LYS 110 HB3 LYS 110 -5.829 -3.182 -12.251 833 HG2 LYS 110 HG2 LYS 110 -8.093 -4.297 -12.723 834 HG3 LYS 110 HG3 LYS 110 -8.638 -2.673 -13.148 835 HD2 LYS 110 HD2 LYS 110 -7.938 -3.643 -15.176 836 HD3 LYS 110 HD3 LYS 110 -6.622 -2.570 -14.696 837 HE2 LYS 110 HE2 LYS 110 -5.528 -4.587 -13.644 838 HE3 LYS 110 HE3 LYS 110 -6.751 -5.568 -14.451 839 HZ1 LYS 110 HZ1 LYS 110 -4.403 -4.974 -15.535 840 HZ2 LYS 110 HZ2 LYS 110 -5.317 -3.682 -16.132 841 HZ3 LYS 110 HZ3 LYS 110 -5.794 -5.272 -16.452 842 H PHE 111 H PHE 111 -4.885 -3.414 -9.683 843 HA PHE 111 HA PHE 111 -4.747 -6.207 -9.961 844 HB2 PHE 111 HB2 PHE 111 -2.988 -4.200 -9.250 845 HB3 PHE 111 HB3 PHE 111 -3.141 -5.132 -7.764 846 HD1 PHE 111 HD2 PHE 111 -2.632 -5.662 -11.421 847 HD2 PHE 111 HD1 PHE 111 -1.735 -6.919 -7.456 848 HE1 PHE 111 HE2 PHE 111 -1.052 -7.325 -12.310 849 HE2 PHE 111 HE1 PHE 111 -0.152 -8.583 -8.337 850 HZ PHE 111 HZ PHE 111 0.191 -8.788 -10.767 851 H ILE 112 H ILE 112 -5.309 -4.232 -7.045 852 HA ILE 112 HA ILE 112 -5.699 -6.303 -5.237 853 HB ILE 112 HB ILE 112 -7.171 -3.667 -5.194 854 HG12 ILE 112 HG12 ILE 112 -4.738 -3.906 -3.577 855 HG13 ILE 112 HG13 ILE 112 -4.432 -3.981 -5.309 856 HG21 ILE 112 HG21 ILE 112 -6.246 -4.865 -2.689 857 HG22 ILE 112 HG22 ILE 112 -7.465 -5.813 -3.540 858 HG23 ILE 112 HG23 ILE 112 -7.800 -4.140 -3.097 859 HD11 ILE 112 HD11 ILE 112 -5.158 -1.725 -3.639 860 HD12 ILE 112 HD12 ILE 112 -6.168 -1.867 -5.077 861 HD13 ILE 112 HD13 ILE 112 -4.415 -1.763 -5.238 862 H ALA 113 H ALA 113 -7.854 -5.003 -7.653 863 HA ALA 113 HA ALA 113 -10.240 -6.180 -6.617 864 HB1 ALA 113 HB1 ALA 113 -9.806 -4.244 -8.409 865 HB2 ALA 113 HB2 ALA 113 -11.305 -5.171 -8.343 866 HB3 ALA 113 HB3 ALA 113 -10.055 -5.599 -9.511 867 H GLU 114 H GLU 114 -7.688 -7.233 -8.753 868 HA GLU 114 HA GLU 114 -9.168 -9.630 -9.509 869 HB2 GLU 114 HB2 GLU 114 -6.672 -8.300 -10.454 870 HB3 GLU 114 HB3 GLU 114 -6.843 -10.030 -10.717 871 HG2 GLU 114 HG2 GLU 114 -9.241 -9.150 -11.598 872 HG3 GLU 114 HG3 GLU 114 -8.214 -7.775 -11.999 873 H ASN 115 H ASN 115 -6.633 -8.613 -7.365 874 HA ASN 115 HA ASN 115 -6.174 -11.424 -6.608 875 HB2 ASN 115 HB2 ASN 115 -4.283 -9.124 -6.103 876 HB3 ASN 115 HB3 ASN 115 -3.957 -10.844 -5.911 877 HD21 ASN 115 HD21 ASN 115 -4.930 -8.476 -8.356 878 HD22 ASN 115 HD22 ASN 115 -4.050 -9.197 -9.655 879 H GLY 116 H GLY 116 -8.237 -9.427 -5.674 880 HA2 GLY 116 HA2 GLY 116 -7.644 -9.721 -2.801 881 HA3 GLY 116 HA3 GLY 116 -8.244 -8.193 -3.426 882 H LYS 117 H LYS 117 -9.300 -10.358 -1.532 883 HA LYS 117 HA LYS 117 -11.688 -11.297 -2.841 884 HB2 LYS 117 HB2 LYS 117 -10.400 -12.472 -0.960 885 HB3 LYS 117 HB3 LYS 117 -11.177 -11.327 0.125 886 HG2 LYS 117 HG2 LYS 117 -12.706 -12.968 0.285 887 HG3 LYS 117 HG3 LYS 117 -13.334 -12.220 -1.184 888 HD2 LYS 117 HD2 LYS 117 -13.039 -14.138 -2.267 889 HD3 LYS 117 HD3 LYS 117 -11.303 -14.024 -1.970 890 HE2 LYS 117 HE2 LYS 117 -11.589 -15.953 -0.858 891 HE3 LYS 117 HE3 LYS 117 -12.196 -14.919 0.435 892 HZ1 LYS 117 HZ1 LYS 117 -14.447 -15.220 -0.633 893 HZ2 LYS 117 HZ2 LYS 117 -13.801 -16.580 0.136 894 HZ3 LYS 117 HZ3 LYS 117 -13.756 -16.462 -1.551 895 H TYR 118 H TYR 118 -10.800 -8.349 -1.568 896 HA TYR 118 HA TYR 118 -13.445 -7.685 -0.536 897 HB2 TYR 118 HB2 TYR 118 -10.763 -6.359 -0.480 898 HB3 TYR 118 HB3 TYR 118 -12.208 -5.379 -0.252 899 HD1 TYR 118 HD2 TYR 118 -11.696 -8.862 0.917 900 HD2 TYR 118 HD1 TYR 118 -11.972 -4.760 2.011 901 HE1 TYR 118 HE2 TYR 118 -11.753 -9.505 3.290 902 HE2 TYR 118 HE1 TYR 118 -12.028 -5.391 4.387 903 HH TYR 118 HH TYR 118 -12.745 -8.304 5.500 904 H LYS 119 H LYS 119 -12.794 -8.201 -3.452 905 HA LYS 119 HA LYS 119 -13.281 -5.606 -4.665 906 HB2 LYS 119 HB2 LYS 119 -13.039 -6.758 -6.790 907 HB3 LYS 119 HB3 LYS 119 -11.707 -7.182 -5.723 908 HG2 LYS 119 HG2 LYS 119 -12.279 -9.348 -5.657 909 HG3 LYS 119 HG3 LYS 119 -14.007 -8.996 -5.590 910 HD2 LYS 119 HD2 LYS 119 -14.250 -9.145 -7.825 911 HD3 LYS 119 HD3 LYS 119 -12.707 -8.350 -8.146 912 HE2 LYS 119 HE2 LYS 119 -11.673 -10.565 -7.285 913 HE3 LYS 119 HE3 LYS 119 -13.272 -11.239 -7.600 914 HZ1 LYS 119 HZ1 LYS 119 -13.006 -10.227 -9.901 915 HZ2 LYS 119 HZ2 LYS 119 -12.077 -11.596 -9.552 916 HZ3 LYS 119 HZ3 LYS 119 -11.364 -10.062 -9.527 917 H ALA 120 H ALA 120 -15.049 -8.397 -3.667 918 HA ALA 120 HA ALA 120 -17.263 -8.917 -3.699 919 HB1 ALA 120 HB1 ALA 120 -18.038 -6.995 -2.791 920 HB2 ALA 120 HB2 ALA 120 -18.742 -6.795 -4.395 921 HB3 ALA 120 HB3 ALA 120 -17.235 -5.976 -3.985 922 H ALA 121 H ALA 121 -17.125 -10.363 -5.421 923 HA ALA 121 HA ALA 121 -17.640 -11.238 -7.457 924 HB1 ALA 121 HB1 ALA 121 -19.848 -10.409 -7.087 925 HB2 ALA 121 HB2 ALA 121 -19.423 -10.070 -8.764 926 HB3 ALA 121 HB3 ALA 121 -19.376 -8.778 -7.565 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -8.175 22.917 16.168 2 H2 GLY 1 2H GLY 1 -9.028 22.535 14.758 3 H3 GLY 1 3H GLY 1 -7.550 23.351 14.657 4 HA2 GLY 1 HA3 GLY 1 -6.810 21.168 16.011 5 HA3 GLY 1 HA2 GLY 1 -8.093 20.526 14.997 6 HA PRO 2 HA PRO 2 -4.018 20.761 12.627 7 HB2 PRO 2 HB2 PRO 2 -3.777 18.108 12.109 8 HB3 PRO 2 HB3 PRO 2 -3.112 18.866 13.560 9 HG2 PRO 2 HG2 PRO 2 -5.658 17.328 13.224 10 HG3 PRO 2 HG3 PRO 2 -4.463 17.241 14.532 11 HD2 PRO 2 HD2 PRO 2 -6.782 18.619 14.767 12 HD3 PRO 2 HD3 PRO 2 -5.286 19.124 15.577 13 H LEU 3 H LEU 3 -3.775 20.476 10.375 14 HA LEU 3 HA LEU 3 -6.120 20.722 8.857 15 HB2 LEU 3 HB2 LEU 3 -4.579 20.404 6.889 16 HB3 LEU 3 HB3 LEU 3 -4.154 21.699 7.992 17 HG LEU 3 HG LEU 3 -2.861 19.119 8.577 18 HD11 LEU 3 HD11 LEU 3 -2.656 20.398 5.921 19 HD12 LEU 3 HD12 LEU 3 -2.412 18.717 6.397 20 HD13 LEU 3 HD13 LEU 3 -1.145 19.908 6.687 21 HD21 LEU 3 HD21 LEU 3 -1.313 21.575 8.105 22 HD22 LEU 3 HD22 LEU 3 -1.266 20.442 9.455 23 HD23 LEU 3 HD23 LEU 3 -2.524 21.676 9.383 24 H GLY 4 H GLY 4 -4.175 17.946 9.705 25 HA2 GLY 4 HA2 GLY 4 -5.596 16.223 7.832 26 HA3 GLY 4 HA3 GLY 4 -4.278 15.746 8.892 27 H SER 5 H SER 5 -7.720 16.269 8.635 28 HA SER 5 HA SER 5 -8.240 15.463 11.360 29 HB2 SER 5 HB2 SER 5 -9.859 16.411 9.058 30 HB3 SER 5 HB3 SER 5 -10.678 15.376 10.227 31 HG SER 5 HG SER 5 -9.768 16.883 11.847 32 H GLU 6 H GLU 6 -9.168 14.135 8.178 33 HA GLU 6 HA GLU 6 -9.850 11.590 9.312 34 HB2 GLU 6 HB2 GLU 6 -10.069 10.917 6.882 35 HB3 GLU 6 HB3 GLU 6 -11.098 12.244 7.404 36 HG2 GLU 6 HG2 GLU 6 -8.561 13.192 6.392 37 HG3 GLU 6 HG3 GLU 6 -9.416 12.205 5.207 38 H GLY 7 H GLY 7 -7.042 12.995 7.792 39 HA2 GLY 7 HA2 GLY 7 -4.878 12.222 7.663 40 HA3 GLY 7 HA3 GLY 7 -5.358 10.889 8.702 41 HA PRO 8 HA PRO 8 -6.536 9.554 4.103 42 HB2 PRO 8 HB2 PRO 8 -4.683 11.436 2.724 43 HB3 PRO 8 HB3 PRO 8 -6.268 10.842 2.216 44 HG2 PRO 8 HG2 PRO 8 -5.983 13.320 3.147 45 HG3 PRO 8 HG3 PRO 8 -7.411 12.351 3.557 46 HD2 PRO 8 HD2 PRO 8 -5.022 13.009 5.223 47 HD3 PRO 8 HD3 PRO 8 -6.722 12.842 5.703 48 H VAL 9 H VAL 9 -3.396 10.681 5.180 49 HA VAL 9 HA VAL 9 -2.018 8.514 3.803 50 HB VAL 9 HB VAL 9 -0.837 10.586 5.655 51 HG11 VAL 9 HG11 VAL 9 1.103 9.907 3.889 52 HG12 VAL 9 HG12 VAL 9 0.242 8.376 4.046 53 HG13 VAL 9 HG13 VAL 9 0.900 9.168 5.478 54 HG21 VAL 9 HG21 VAL 9 -0.082 11.556 3.361 55 HG22 VAL 9 HG22 VAL 9 -1.696 11.918 3.973 56 HG23 VAL 9 HG23 VAL 9 -1.479 10.679 2.737 57 H THR 10 H THR 10 -1.410 6.662 4.735 58 HA THR 10 HA THR 10 -1.796 6.398 7.642 59 HB THR 10 HB THR 10 -1.888 4.252 5.513 60 HG1 THR 10 HG1 THR 10 -4.000 5.334 7.059 61 HG21 THR 10 HG21 THR 10 -1.276 3.098 7.425 62 HG22 THR 10 HG22 THR 10 -3.036 2.988 7.424 63 HG23 THR 10 HG23 THR 10 -2.226 4.145 8.480 64 H VAL 11 H VAL 11 -0.087 5.972 8.873 65 HA VAL 11 HA VAL 11 2.518 5.740 7.686 66 HB VAL 11 HB VAL 11 2.196 7.049 9.729 67 HG11 VAL 11 HG11 VAL 11 2.086 5.294 11.819 68 HG12 VAL 11 HG12 VAL 11 0.977 4.561 10.661 69 HG13 VAL 11 HG13 VAL 11 0.722 6.221 11.196 70 HG21 VAL 11 HG21 VAL 11 4.407 6.236 9.355 71 HG22 VAL 11 HG22 VAL 11 3.993 4.645 9.993 72 HG23 VAL 11 HG23 VAL 11 4.055 6.039 11.072 73 H VAL 12 H VAL 12 3.913 4.009 7.730 74 HA VAL 12 HA VAL 12 2.867 1.453 8.743 75 HB VAL 12 HB VAL 12 4.480 1.142 6.325 76 HG11 VAL 12 HG11 VAL 12 3.006 -0.515 7.672 77 HG12 VAL 12 HG12 VAL 12 3.042 -0.620 5.913 78 HG13 VAL 12 HG13 VAL 12 1.685 0.163 6.721 79 HG21 VAL 12 HG21 VAL 12 2.842 1.862 4.718 80 HG22 VAL 12 HG22 VAL 12 3.263 3.232 5.745 81 HG23 VAL 12 HG23 VAL 12 1.745 2.373 6.000 82 H VAL 13 H VAL 13 4.240 1.294 10.456 83 HA VAL 13 HA VAL 13 7.127 1.505 9.936 84 HB VAL 13 HB VAL 13 5.949 1.249 12.685 85 HG11 VAL 13 HG11 VAL 13 8.187 1.190 12.994 86 HG12 VAL 13 HG12 VAL 13 8.021 2.943 12.896 87 HG13 VAL 13 HG13 VAL 13 8.529 2.026 11.479 88 HG21 VAL 13 HG21 VAL 13 4.743 3.078 11.520 89 HG22 VAL 13 HG22 VAL 13 6.294 3.861 11.215 90 HG23 VAL 13 HG23 VAL 13 5.728 3.641 12.871 91 H ALA 14 H ALA 14 8.491 -0.064 11.242 92 HA ALA 14 HA ALA 14 8.069 -2.662 10.432 93 HB1 ALA 14 HB1 ALA 14 10.124 -1.407 11.572 94 HB2 ALA 14 HB2 ALA 14 10.002 -3.165 11.503 95 HB3 ALA 14 HB3 ALA 14 9.542 -2.306 12.973 96 H LYS 15 H LYS 15 7.162 -1.160 13.506 97 HA LYS 15 HA LYS 15 6.041 -3.638 14.505 98 HB2 LYS 15 HB2 LYS 15 6.776 -1.038 15.613 99 HB3 LYS 15 HB3 LYS 15 5.252 -1.645 16.247 100 HG2 LYS 15 HG2 LYS 15 6.760 -3.863 16.453 101 HG3 LYS 15 HG3 LYS 15 7.998 -2.621 16.651 102 HD2 LYS 15 HD2 LYS 15 6.053 -1.650 18.261 103 HD3 LYS 15 HD3 LYS 15 5.773 -3.384 18.425 104 HE2 LYS 15 HE2 LYS 15 8.320 -1.873 18.978 105 HE3 LYS 15 HE3 LYS 15 7.295 -2.711 20.143 106 HZ1 LYS 15 HZ1 LYS 15 7.867 -4.698 18.475 107 HZ2 LYS 15 HZ2 LYS 15 8.802 -4.334 19.837 108 HZ3 LYS 15 HZ3 LYS 15 9.279 -3.780 18.312 109 H ASN 16 H ASN 16 4.941 -1.209 12.473 110 HA ASN 16 HA ASN 16 2.156 -1.532 13.347 111 HB2 ASN 16 HB2 ASN 16 3.542 0.741 12.621 112 HB3 ASN 16 HB3 ASN 16 2.630 0.357 11.164 113 HD21 ASN 16 HD21 ASN 16 0.284 -0.327 11.707 114 HD22 ASN 16 HD22 ASN 16 -0.550 0.730 12.789 115 H TYR 17 H TYR 17 4.080 -1.480 10.345 116 HA TYR 17 HA TYR 17 2.162 -2.287 8.563 117 HB2 TYR 17 HB2 TYR 17 3.864 -2.405 7.097 118 HB3 TYR 17 HB3 TYR 17 4.858 -1.844 8.432 119 HD1 TYR 17 HD1 TYR 17 3.668 -4.944 6.750 120 HD2 TYR 17 HD2 TYR 17 6.654 -3.142 9.184 121 HE1 TYR 17 HE1 TYR 17 5.033 -6.982 6.571 122 HE2 TYR 17 HE2 TYR 17 8.033 -5.171 9.006 123 HH TYR 17 HH TYR 17 8.298 -7.094 7.520 124 H ASN 18 H ASN 18 4.364 -4.488 10.314 125 HA ASN 18 HA ASN 18 3.467 -6.895 9.409 126 HB2 ASN 18 HB2 ASN 18 4.372 -7.887 11.359 127 HB3 ASN 18 HB3 ASN 18 5.326 -6.436 11.077 128 HD21 ASN 18 HD21 ASN 18 3.968 -4.441 12.153 129 HD22 ASN 18 HD22 ASN 18 3.682 -4.695 13.833 130 H GLU 19 H GLU 19 1.866 -4.822 11.757 131 HA GLU 19 HA GLU 19 -0.068 -6.762 12.554 132 HB2 GLU 19 HB2 GLU 19 0.696 -4.657 13.815 133 HB3 GLU 19 HB3 GLU 19 -0.427 -3.786 12.781 134 HG2 GLU 19 HG2 GLU 19 -2.264 -4.671 13.787 135 HG3 GLU 19 HG3 GLU 19 -1.441 -6.168 14.224 136 H ILE 20 H ILE 20 -0.431 -3.778 10.620 137 HA ILE 20 HA ILE 20 -3.062 -4.199 9.841 138 HB ILE 20 HB ILE 20 -2.566 -2.695 7.911 139 HG12 ILE 20 HG12 ILE 20 0.249 -2.905 9.006 140 HG13 ILE 20 HG13 ILE 20 -0.299 -3.322 7.385 141 HG21 ILE 20 HG21 ILE 20 -2.876 -2.103 10.498 142 HG22 ILE 20 HG22 ILE 20 -2.661 -0.874 9.251 143 HG23 ILE 20 HG23 ILE 20 -1.287 -1.386 10.231 144 HD11 ILE 20 HD11 ILE 20 0.629 -0.817 8.403 145 HD12 ILE 20 HD12 ILE 20 -1.004 -0.644 7.761 146 HD13 ILE 20 HD13 ILE 20 0.279 -1.294 6.741 147 H VAL 21 H VAL 21 -0.105 -5.093 8.089 148 HA VAL 21 HA VAL 21 -1.265 -6.208 5.821 149 HB VAL 21 HB VAL 21 0.824 -7.440 5.527 150 HG11 VAL 21 HG11 VAL 21 2.315 -5.568 5.423 151 HG12 VAL 21 HG12 VAL 21 1.394 -4.701 6.652 152 HG13 VAL 21 HG13 VAL 21 0.688 -4.992 5.063 153 HG21 VAL 21 HG21 VAL 21 2.592 -6.979 7.390 154 HG22 VAL 21 HG22 VAL 21 1.455 -8.316 7.564 155 HG23 VAL 21 HG23 VAL 21 1.174 -6.802 8.423 156 H LEU 22 H LEU 22 -0.483 -7.711 8.939 157 HA LEU 22 HA LEU 22 -1.321 -10.317 8.137 158 HB2 LEU 22 HB2 LEU 22 -0.757 -9.085 10.825 159 HB3 LEU 22 HB3 LEU 22 -1.251 -10.757 10.635 160 HG LEU 22 HG LEU 22 1.223 -9.569 9.373 161 HD11 LEU 22 HD11 LEU 22 1.948 -9.577 11.510 162 HD12 LEU 22 HD12 LEU 22 2.157 -11.300 11.199 163 HD13 LEU 22 HD13 LEU 22 0.719 -10.724 12.041 164 HD21 LEU 22 HD21 LEU 22 1.032 -12.457 9.795 165 HD22 LEU 22 HD22 LEU 22 1.564 -11.547 8.381 166 HD23 LEU 22 HD23 LEU 22 -0.156 -11.821 8.657 167 H ASP 23 H ASP 23 -3.031 -7.522 8.980 168 HA ASP 23 HA ASP 23 -5.211 -8.522 10.411 169 HB2 ASP 23 HB2 ASP 23 -4.533 -6.068 9.665 170 HB3 ASP 23 HB3 ASP 23 -5.660 -6.405 8.354 171 H ASP 24 H ASP 24 -6.002 -10.454 9.693 172 HA ASP 24 HA ASP 24 -6.533 -11.056 6.977 173 HB2 ASP 24 HB2 ASP 24 -7.847 -12.376 9.351 174 HB3 ASP 24 HB3 ASP 24 -7.517 -13.075 7.769 175 H THR 25 H THR 25 -8.273 -9.254 9.324 176 HA THR 25 HA THR 25 -10.798 -9.555 7.882 177 HB THR 25 HB THR 25 -10.482 -7.783 10.270 178 HG1 THR 25 HG1 THR 25 -9.440 -9.678 10.892 179 HG21 THR 25 HG21 THR 25 -12.680 -7.718 9.814 180 HG22 THR 25 HG22 THR 25 -12.687 -9.236 10.712 181 HG23 THR 25 HG23 THR 25 -12.660 -9.254 8.948 182 H LYS 26 H LYS 26 -8.456 -8.105 6.769 183 HA LYS 26 HA LYS 26 -9.819 -5.944 5.613 184 HB2 LYS 26 HB2 LYS 26 -8.346 -5.358 8.094 185 HB3 LYS 26 HB3 LYS 26 -7.964 -4.294 6.748 186 HG2 LYS 26 HG2 LYS 26 -10.659 -4.304 6.611 187 HG3 LYS 26 HG3 LYS 26 -10.418 -4.517 8.346 188 HD2 LYS 26 HD2 LYS 26 -8.829 -2.551 8.233 189 HD3 LYS 26 HD3 LYS 26 -9.428 -2.277 6.596 190 HE2 LYS 26 HE2 LYS 26 -10.693 -0.862 8.005 191 HE3 LYS 26 HE3 LYS 26 -11.748 -2.212 7.589 192 HZ1 LYS 26 HZ1 LYS 26 -10.819 -3.194 9.788 193 HZ2 LYS 26 HZ2 LYS 26 -12.060 -2.047 9.840 194 HZ3 LYS 26 HZ3 LYS 26 -10.465 -1.581 10.156 195 H ASP 27 H ASP 27 -8.699 -5.052 3.897 196 HA ASP 27 HA ASP 27 -6.282 -6.481 3.137 197 HB2 ASP 27 HB2 ASP 27 -8.495 -5.311 1.744 198 HB3 ASP 27 HB3 ASP 27 -7.007 -4.577 1.155 199 H VAL 28 H VAL 28 -4.306 -5.520 2.700 200 HA VAL 28 HA VAL 28 -4.044 -2.667 3.363 201 HB VAL 28 HB VAL 28 -2.031 -4.705 4.290 202 HG11 VAL 28 HG11 VAL 28 -1.455 -2.245 4.010 203 HG12 VAL 28 HG12 VAL 28 -1.128 -2.963 5.587 204 HG13 VAL 28 HG13 VAL 28 -2.551 -1.945 5.359 205 HG21 VAL 28 HG21 VAL 28 -3.277 -3.889 6.569 206 HG22 VAL 28 HG22 VAL 28 -3.598 -5.409 5.737 207 HG23 VAL 28 HG23 VAL 28 -4.633 -4.011 5.450 208 H LEU 29 H LEU 29 -2.401 -1.557 2.321 209 HA LEU 29 HA LEU 29 -0.803 -3.039 0.356 210 HB2 LEU 29 HB2 LEU 29 -1.992 -0.416 -0.434 211 HB3 LEU 29 HB3 LEU 29 -1.429 -1.731 -1.447 212 HG LEU 29 HG LEU 29 -3.882 -2.052 0.254 213 HD11 LEU 29 HD11 LEU 29 -4.978 -1.516 -2.104 214 HD12 LEU 29 HD12 LEU 29 -3.560 -0.475 -2.233 215 HD13 LEU 29 HD13 LEU 29 -4.688 -0.267 -0.893 216 HD21 LEU 29 HD21 LEU 29 -2.935 -4.061 -0.717 217 HD22 LEU 29 HD22 LEU 29 -2.936 -3.316 -2.315 218 HD23 LEU 29 HD23 LEU 29 -4.463 -3.668 -1.506 219 H ILE 30 H ILE 30 1.163 -2.704 1.264 220 HA ILE 30 HA ILE 30 1.888 0.032 2.047 221 HB ILE 30 HB ILE 30 2.264 -1.684 3.751 222 HG12 ILE 30 HG12 ILE 30 4.798 -0.541 2.556 223 HG13 ILE 30 HG13 ILE 30 3.750 0.242 3.733 224 HG21 ILE 30 HG21 ILE 30 4.533 -2.975 2.470 225 HG22 ILE 30 HG22 ILE 30 3.008 -3.294 1.644 226 HG23 ILE 30 HG23 ILE 30 3.180 -3.678 3.356 227 HD11 ILE 30 HD11 ILE 30 4.382 -2.086 5.001 228 HD12 ILE 30 HD12 ILE 30 5.200 -0.541 5.234 229 HD13 ILE 30 HD13 ILE 30 5.863 -1.730 4.114 230 H GLU 31 H GLU 31 3.007 1.215 0.657 231 HA GLU 31 HA GLU 31 4.623 -0.156 -1.386 232 HB2 GLU 31 HB2 GLU 31 2.711 1.379 -2.083 233 HB3 GLU 31 HB3 GLU 31 3.694 2.710 -1.489 234 HG2 GLU 31 HG2 GLU 31 4.841 2.773 -3.375 235 HG3 GLU 31 HG3 GLU 31 5.262 1.067 -3.226 236 H PHE 32 H PHE 32 6.765 0.125 -1.452 237 HA PHE 32 HA PHE 32 7.962 1.956 0.502 238 HB2 PHE 32 HB2 PHE 32 8.876 -0.578 -0.808 239 HB3 PHE 32 HB3 PHE 32 10.077 0.561 -0.207 240 HD1 PHE 32 HD1 PHE 32 9.658 1.391 2.260 241 HD2 PHE 32 HD2 PHE 32 8.109 -2.212 0.610 242 HE1 PHE 32 HE1 PHE 32 9.400 0.469 4.526 243 HE2 PHE 32 HE2 PHE 32 7.847 -3.141 2.873 244 HZ PHE 32 HZ PHE 32 8.493 -1.800 4.835 245 H TYR 33 H TYR 33 8.879 3.784 -0.160 246 HA TYR 33 HA TYR 33 10.141 3.918 -2.784 247 HB2 TYR 33 HB2 TYR 33 8.947 5.929 -3.445 248 HB3 TYR 33 HB3 TYR 33 7.798 4.629 -3.149 249 HD1 TYR 33 HD2 TYR 33 6.520 4.619 -0.968 250 HD2 TYR 33 HD1 TYR 33 8.814 7.960 -2.261 251 HE1 TYR 33 HE2 TYR 33 5.289 6.062 0.597 252 HE2 TYR 33 HE1 TYR 33 7.591 9.413 -0.699 253 HH TYR 33 HH TYR 33 6.288 9.257 1.325 254 H ALA 34 H ALA 34 11.112 6.228 -3.063 255 HA ALA 34 HA ALA 34 11.984 7.362 -0.516 256 HB1 ALA 34 HB1 ALA 34 13.823 6.031 -0.675 257 HB2 ALA 34 HB2 ALA 34 14.370 7.370 -1.683 258 HB3 ALA 34 HB3 ALA 34 13.723 5.910 -2.432 259 HA PRO 35 HA PRO 35 11.550 11.151 -2.745 260 HB2 PRO 35 HB2 PRO 35 13.218 12.758 -1.325 261 HB3 PRO 35 HB3 PRO 35 11.644 12.229 -0.719 262 HG2 PRO 35 HG2 PRO 35 14.368 11.142 -0.118 263 HG3 PRO 35 HG3 PRO 35 13.019 11.455 0.989 264 HD2 PRO 35 HD2 PRO 35 13.595 8.978 0.065 265 HD3 PRO 35 HD3 PRO 35 11.937 9.499 0.425 266 H TRP 36 H TRP 36 14.891 10.234 -1.939 267 HA TRP 36 HA TRP 36 16.002 11.772 -4.097 268 HB2 TRP 36 HB2 TRP 36 18.137 10.651 -3.443 269 HB3 TRP 36 HB3 TRP 36 17.333 11.477 -2.112 270 HD1 TRP 36 HD1 TRP 36 17.664 7.871 -3.506 271 HE1 TRP 36 HE1 TRP 36 17.578 6.243 -1.514 272 HE3 TRP 36 HE3 TRP 36 16.809 11.230 0.252 273 HZ2 TRP 36 HZ2 TRP 36 17.199 6.367 1.281 274 HZ3 TRP 36 HZ3 TRP 36 16.597 10.394 2.556 275 HH2 TRP 36 HH2 TRP 36 16.787 8.012 3.058 276 H CYS 37 H CYS 37 14.323 8.924 -4.065 277 HA CYS 37 HA CYS 37 15.711 7.122 -5.614 278 HB2 CYS 37 HB2 CYS 37 13.570 6.537 -4.685 279 HB3 CYS 37 HB3 CYS 37 12.764 7.794 -5.618 280 H GLY 38 H GLY 38 13.641 9.784 -6.759 281 HA2 GLY 38 HA2 GLY 38 14.149 11.113 -8.666 282 HA3 GLY 38 HA3 GLY 38 15.184 9.818 -9.257 283 H HIS 39 H HIS 39 13.392 7.682 -8.908 284 HA HIS 39 HA HIS 39 11.416 8.287 -11.002 285 HB2 HIS 39 HB2 HIS 39 12.773 5.684 -10.264 286 HB3 HIS 39 HB3 HIS 39 11.471 5.818 -11.442 287 HD1 HIS 39 HD1 HIS 39 12.881 5.105 -13.441 288 HD2 HIS 39 HD2 HIS 39 14.430 8.388 -11.418 289 HE1 HIS 39 HE1 HIS 39 14.700 6.010 -14.922 290 HE2 HIS 39 HE2 HIS 39 15.562 8.049 -13.719 291 H CYS 40 H CYS 40 11.653 7.841 -7.743 292 HA CYS 40 HA CYS 40 9.049 6.500 -7.524 293 HB2 CYS 40 HB2 CYS 40 10.999 7.018 -5.281 294 HB3 CYS 40 HB3 CYS 40 9.619 5.927 -5.280 295 H LYS 41 H LYS 41 10.677 9.500 -7.110 296 HA LYS 41 HA LYS 41 9.267 10.785 -5.136 297 HB2 LYS 41 HB2 LYS 41 11.122 11.552 -6.958 298 HB3 LYS 41 HB3 LYS 41 9.703 12.383 -7.582 299 HG2 LYS 41 HG2 LYS 41 10.402 12.598 -4.687 300 HG3 LYS 41 HG3 LYS 41 11.257 13.574 -5.884 301 HD2 LYS 41 HD2 LYS 41 9.115 14.475 -6.668 302 HD3 LYS 41 HD3 LYS 41 8.269 13.505 -5.460 303 HE2 LYS 41 HE2 LYS 41 9.359 14.706 -3.673 304 HE3 LYS 41 HE3 LYS 41 10.344 15.600 -4.830 305 HZ1 LYS 41 HZ1 LYS 41 7.398 15.736 -4.930 306 HZ2 LYS 41 HZ2 LYS 41 8.531 16.833 -5.540 307 HZ3 LYS 41 HZ3 LYS 41 8.273 16.725 -3.872 308 H ALA 42 H ALA 42 8.177 9.847 -8.299 309 HA ALA 42 HA ALA 42 5.824 11.506 -8.269 310 HB1 ALA 42 HB1 ALA 42 5.826 9.189 -10.066 311 HB2 ALA 42 HB2 ALA 42 7.214 10.260 -10.251 312 HB3 ALA 42 HB3 ALA 42 5.579 10.899 -10.417 313 H LEU 43 H LEU 43 6.699 8.292 -7.265 314 HA LEU 43 HA LEU 43 4.137 7.140 -7.116 315 HB2 LEU 43 HB2 LEU 43 6.749 6.353 -6.566 316 HB3 LEU 43 HB3 LEU 43 5.943 6.258 -5.012 317 HG LEU 43 HG LEU 43 5.884 4.111 -6.157 318 HD11 LEU 43 HD11 LEU 43 3.353 5.599 -5.662 319 HD12 LEU 43 HD12 LEU 43 4.057 4.242 -4.782 320 HD13 LEU 43 HD13 LEU 43 3.275 3.973 -6.340 321 HD21 LEU 43 HD21 LEU 43 5.926 4.374 -8.413 322 HD22 LEU 43 HD22 LEU 43 4.860 5.779 -8.383 323 HD23 LEU 43 HD23 LEU 43 4.189 4.158 -8.202 324 H ALA 44 H ALA 44 5.889 9.281 -4.982 325 HA ALA 44 HA ALA 44 4.408 8.930 -2.634 326 HB1 ALA 44 HB1 ALA 44 6.240 10.172 -2.171 327 HB2 ALA 44 HB2 ALA 44 5.110 11.504 -2.413 328 HB3 ALA 44 HB3 ALA 44 6.193 11.019 -3.717 329 HA PRO 45 HA PRO 45 1.626 12.689 -3.969 330 HB2 PRO 45 HB2 PRO 45 1.693 13.266 -6.664 331 HB3 PRO 45 HB3 PRO 45 2.604 14.140 -5.430 332 HG2 PRO 45 HG2 PRO 45 3.506 11.965 -7.270 333 HG3 PRO 45 HG3 PRO 45 4.361 13.435 -6.766 334 HD2 PRO 45 HD2 PRO 45 4.931 11.037 -5.701 335 HD3 PRO 45 HD3 PRO 45 4.988 12.523 -4.731 336 H LYS 46 H LYS 46 2.208 10.184 -6.410 337 HA LYS 46 HA LYS 46 -0.452 9.975 -7.317 338 HB2 LYS 46 HB2 LYS 46 1.899 8.100 -7.368 339 HB3 LYS 46 HB3 LYS 46 0.330 7.609 -7.990 340 HG2 LYS 46 HG2 LYS 46 1.350 10.189 -8.980 341 HG3 LYS 46 HG3 LYS 46 2.245 8.754 -9.484 342 HD2 LYS 46 HD2 LYS 46 0.358 7.813 -10.526 343 HD3 LYS 46 HD3 LYS 46 -0.746 8.924 -9.713 344 HE2 LYS 46 HE2 LYS 46 -0.427 9.503 -12.078 345 HE3 LYS 46 HE3 LYS 46 0.133 10.782 -11.001 346 HZ1 LYS 46 HZ1 LYS 46 1.763 8.858 -12.550 347 HZ2 LYS 46 HZ2 LYS 46 2.409 9.757 -11.271 348 HZ3 LYS 46 HZ3 LYS 46 1.783 10.548 -12.628 349 H TYR 47 H TYR 47 1.204 8.676 -4.544 350 HA TYR 47 HA TYR 47 -0.864 6.761 -3.928 351 HB2 TYR 47 HB2 TYR 47 1.813 7.165 -3.136 352 HB3 TYR 47 HB3 TYR 47 0.840 7.347 -1.680 353 HD1 TYR 47 HD1 TYR 47 1.505 5.048 -4.523 354 HD2 TYR 47 HD2 TYR 47 0.000 5.462 -0.565 355 HE1 TYR 47 HE1 TYR 47 1.339 2.602 -4.337 356 HE2 TYR 47 HE2 TYR 47 -0.168 3.017 -0.367 357 HH TYR 47 HH TYR 47 -0.419 1.017 -2.422 358 H GLU 48 H GLU 48 -0.179 10.074 -3.219 359 HA GLU 48 HA GLU 48 -1.743 10.282 -0.849 360 HB2 GLU 48 HB2 GLU 48 0.074 11.894 -1.896 361 HB3 GLU 48 HB3 GLU 48 -1.333 12.621 -2.661 362 HG2 GLU 48 HG2 GLU 48 -2.176 12.444 -0.094 363 HG3 GLU 48 HG3 GLU 48 -0.446 12.699 0.131 364 H GLU 49 H GLU 49 -2.392 10.628 -4.282 365 HA GLU 49 HA GLU 49 -5.032 11.682 -3.941 366 HB2 GLU 49 HB2 GLU 49 -3.323 11.644 -6.025 367 HB3 GLU 49 HB3 GLU 49 -4.337 10.274 -6.455 368 HG2 GLU 49 HG2 GLU 49 -5.682 11.763 -7.403 369 HG3 GLU 49 HG3 GLU 49 -6.175 12.186 -5.764 370 H LEU 50 H LEU 50 -3.773 8.506 -4.965 371 HA LEU 50 HA LEU 50 -6.254 7.213 -5.120 372 HB2 LEU 50 HB2 LEU 50 -4.373 6.188 -6.142 373 HB3 LEU 50 HB3 LEU 50 -3.463 6.191 -4.645 374 HG LEU 50 HG LEU 50 -5.037 4.511 -3.719 375 HD11 LEU 50 HD11 LEU 50 -7.050 4.671 -4.783 376 HD12 LEU 50 HD12 LEU 50 -6.347 3.313 -5.663 377 HD13 LEU 50 HD13 LEU 50 -6.320 4.930 -6.367 378 HD21 LEU 50 HD21 LEU 50 -3.721 2.880 -4.494 379 HD22 LEU 50 HD22 LEU 50 -2.938 4.138 -5.450 380 HD23 LEU 50 HD23 LEU 50 -4.215 3.153 -6.165 381 H GLY 51 H GLY 51 -4.203 7.955 -2.402 382 HA2 GLY 51 HA2 GLY 51 -5.361 6.115 -0.565 383 HA3 GLY 51 HA3 GLY 51 -4.402 7.527 -0.150 384 H ALA 52 H ALA 52 -5.951 9.555 -1.221 385 HA ALA 52 HA ALA 52 -7.938 9.835 0.796 386 HB1 ALA 52 HB1 ALA 52 -8.133 12.017 0.110 387 HB2 ALA 52 HB2 ALA 52 -7.880 11.621 -1.590 388 HB3 ALA 52 HB3 ALA 52 -6.514 11.633 -0.475 389 H LEU 53 H LEU 53 -7.980 8.809 -2.534 390 HA LEU 53 HA LEU 53 -10.826 9.069 -2.848 391 HB2 LEU 53 HB2 LEU 53 -8.547 8.191 -4.488 392 HB3 LEU 53 HB3 LEU 53 -10.048 7.348 -4.819 393 HG LEU 53 HG LEU 53 -11.157 9.528 -5.214 394 HD11 LEU 53 HD11 LEU 53 -9.290 11.367 -5.698 395 HD12 LEU 53 HD12 LEU 53 -8.497 10.512 -4.374 396 HD13 LEU 53 HD13 LEU 53 -10.097 11.215 -4.137 397 HD21 LEU 53 HD21 LEU 53 -9.664 8.083 -6.917 398 HD22 LEU 53 HD22 LEU 53 -8.826 9.632 -7.018 399 HD23 LEU 53 HD23 LEU 53 -10.548 9.535 -7.388 400 H TYR 54 H TYR 54 -8.631 6.257 -2.711 401 HA TYR 54 HA TYR 54 -10.598 4.291 -2.567 402 HB2 TYR 54 HB2 TYR 54 -7.904 4.249 -2.711 403 HB3 TYR 54 HB3 TYR 54 -8.117 3.813 -1.020 404 HD1 TYR 54 HD1 TYR 54 -10.484 2.147 -1.020 405 HD2 TYR 54 HD2 TYR 54 -7.327 2.329 -3.865 406 HE1 TYR 54 HE1 TYR 54 -10.949 -0.177 -1.676 407 HE2 TYR 54 HE2 TYR 54 -7.783 0.006 -4.530 408 HH TYR 54 HH TYR 54 -8.924 -2.089 -3.239 409 H ALA 55 H ALA 55 -8.927 6.006 0.054 410 HA ALA 55 HA ALA 55 -10.185 4.629 2.173 411 HB1 ALA 55 HB1 ALA 55 -9.234 7.458 2.417 412 HB2 ALA 55 HB2 ALA 55 -8.089 6.133 2.201 413 HB3 ALA 55 HB3 ALA 55 -9.163 6.152 3.599 414 H LYS 56 H LYS 56 -11.138 7.360 0.220 415 HA LYS 56 HA LYS 56 -13.449 7.876 1.939 416 HB2 LYS 56 HB2 LYS 56 -11.975 9.739 1.014 417 HB3 LYS 56 HB3 LYS 56 -12.680 9.382 -0.557 418 HG2 LYS 56 HG2 LYS 56 -13.943 11.160 0.251 419 HG3 LYS 56 HG3 LYS 56 -14.942 9.742 0.578 420 HD2 LYS 56 HD2 LYS 56 -13.497 9.886 2.865 421 HD3 LYS 56 HD3 LYS 56 -13.608 11.595 2.438 422 HE2 LYS 56 HE2 LYS 56 -15.827 11.683 2.836 423 HE3 LYS 56 HE3 LYS 56 -16.111 10.065 2.196 424 HZ1 LYS 56 HZ1 LYS 56 -16.288 10.651 4.768 425 HZ2 LYS 56 HZ2 LYS 56 -14.652 10.227 4.709 426 HZ3 LYS 56 HZ3 LYS 56 -15.830 9.121 4.210 427 H SER 57 H SER 57 -13.403 5.415 0.553 428 HA SER 57 HA SER 57 -15.680 5.812 -1.268 429 HB2 SER 57 HB2 SER 57 -13.422 3.826 -1.622 430 HB3 SER 57 HB3 SER 57 -14.864 3.917 -2.633 431 HG SER 57 HG SER 57 -12.639 5.216 -2.984 432 H GLU 58 H GLU 58 -16.711 3.501 -1.675 433 HA GLU 58 HA GLU 58 -17.859 2.703 0.757 434 HB2 GLU 58 HB2 GLU 58 -18.566 2.385 -1.804 435 HB3 GLU 58 HB3 GLU 58 -17.878 0.792 -1.518 436 HG2 GLU 58 HG2 GLU 58 -19.405 0.425 0.320 437 HG3 GLU 58 HG3 GLU 58 -20.053 2.055 0.136 438 H PHE 59 H PHE 59 -14.943 1.729 -0.788 439 HA PHE 59 HA PHE 59 -14.756 -0.723 0.788 440 HB2 PHE 59 HB2 PHE 59 -12.845 0.405 -1.267 441 HB3 PHE 59 HB3 PHE 59 -12.739 -1.185 -0.519 442 HD1 PHE 59 HD2 PHE 59 -14.969 0.923 -2.616 443 HD2 PHE 59 HD1 PHE 59 -13.770 -3.008 -1.510 444 HE1 PHE 59 HE2 PHE 59 -16.377 -0.006 -4.408 445 HE2 PHE 59 HE1 PHE 59 -15.175 -3.944 -3.300 446 HZ PHE 59 HZ PHE 59 -16.481 -2.443 -4.751 447 H LYS 60 H LYS 60 -14.760 1.704 2.240 448 HA LYS 60 HA LYS 60 -12.083 2.467 2.899 449 HB2 LYS 60 HB2 LYS 60 -13.948 4.028 3.167 450 HB3 LYS 60 HB3 LYS 60 -14.685 2.964 4.357 451 HG2 LYS 60 HG2 LYS 60 -13.063 3.436 5.963 452 HG3 LYS 60 HG3 LYS 60 -11.936 4.080 4.767 453 HD2 LYS 60 HD2 LYS 60 -12.681 6.082 5.469 454 HD3 LYS 60 HD3 LYS 60 -14.071 5.734 4.438 455 HE2 LYS 60 HE2 LYS 60 -14.807 6.452 6.637 456 HE3 LYS 60 HE3 LYS 60 -15.242 4.765 6.363 457 HZ1 LYS 60 HZ1 LYS 60 -12.680 5.229 7.654 458 HZ2 LYS 60 HZ2 LYS 60 -13.856 4.055 7.971 459 HZ3 LYS 60 HZ3 LYS 60 -14.048 5.625 8.570 460 H ASP 61 H ASP 61 -14.506 0.325 4.313 461 HA ASP 61 HA ASP 61 -12.671 -0.411 6.460 462 HB2 ASP 61 HB2 ASP 61 -15.130 0.025 6.871 463 HB3 ASP 61 HB3 ASP 61 -15.462 -1.463 5.990 464 H ARG 62 H ARG 62 -12.531 -1.189 3.462 465 HA ARG 62 HA ARG 62 -12.263 -4.089 3.911 466 HB2 ARG 62 HB2 ARG 62 -13.834 -2.835 2.021 467 HB3 ARG 62 HB3 ARG 62 -12.380 -3.231 1.115 468 HG2 ARG 62 HG2 ARG 62 -13.379 -5.203 0.792 469 HG3 ARG 62 HG3 ARG 62 -12.834 -5.563 2.432 470 HD2 ARG 62 1HD ARG 62 -15.498 -4.315 1.779 471 HD3 ARG 62 2HD ARG 62 -15.252 -6.048 1.993 472 HE ARG 62 HE ARG 62 -14.238 -4.737 4.242 473 HH11 ARG 62 HH11 ARG 62 -17.309 -5.327 2.693 474 HH12 ARG 62 HH12 ARG 62 -18.208 -5.264 4.171 475 HH21 ARG 62 HH21 ARG 62 -15.420 -4.653 6.188 476 HH22 ARG 62 HH22 ARG 62 -17.137 -4.880 6.155 477 H VAL 63 H VAL 63 -10.958 -1.380 2.004 478 HA VAL 63 HA VAL 63 -8.321 -2.694 2.118 479 HB VAL 63 HB VAL 63 -9.242 -0.780 -0.026 480 HG11 VAL 63 HG11 VAL 63 -6.997 -0.655 -0.240 481 HG12 VAL 63 HG12 VAL 63 -7.215 -2.177 -1.103 482 HG13 VAL 63 HG13 VAL 63 -6.724 -2.187 0.591 483 HG21 VAL 63 HG21 VAL 63 -10.478 -3.002 0.065 484 HG22 VAL 63 HG22 VAL 63 -8.937 -3.752 -0.350 485 HG23 VAL 63 HG23 VAL 63 -9.682 -2.597 -1.456 486 H VAL 64 H VAL 64 -6.495 -1.377 2.444 487 HA VAL 64 HA VAL 64 -7.031 1.394 3.265 488 HB VAL 64 HB VAL 64 -5.247 -0.471 4.830 489 HG11 VAL 64 HG11 VAL 64 -4.879 1.264 6.295 490 HG12 VAL 64 HG12 VAL 64 -6.362 2.105 5.841 491 HG13 VAL 64 HG13 VAL 64 -4.968 2.129 4.760 492 HG21 VAL 64 HG21 VAL 64 -7.726 -1.027 4.894 493 HG22 VAL 64 HG22 VAL 64 -7.946 0.523 5.707 494 HG23 VAL 64 HG23 VAL 64 -6.944 -0.727 6.446 495 H ILE 65 H ILE 65 -5.756 2.747 2.205 496 HA ILE 65 HA ILE 65 -3.427 1.775 0.790 497 HB ILE 65 HB ILE 65 -4.391 4.628 0.956 498 HG12 ILE 65 HG12 ILE 65 -6.220 3.122 0.220 499 HG13 ILE 65 HG13 ILE 65 -5.692 4.212 -1.058 500 HG21 ILE 65 HG21 ILE 65 -2.370 3.166 -0.615 501 HG22 ILE 65 HG22 ILE 65 -2.414 4.855 -0.107 502 HG23 ILE 65 HG23 ILE 65 -3.352 4.329 -1.505 503 HD11 ILE 65 HD11 ILE 65 -5.886 1.401 -1.114 504 HD12 ILE 65 HD12 ILE 65 -4.177 1.818 -1.239 505 HD13 ILE 65 HD13 ILE 65 -5.335 2.489 -2.388 506 H ALA 66 H ALA 66 -1.652 1.461 1.988 507 HA ALA 66 HA ALA 66 -0.911 3.522 3.955 508 HB1 ALA 66 HB1 ALA 66 -0.684 0.591 3.931 509 HB2 ALA 66 HB2 ALA 66 -0.861 1.708 5.284 510 HB3 ALA 66 HB3 ALA 66 0.723 1.452 4.552 511 H LYS 67 H LYS 67 0.826 4.733 3.598 512 HA LYS 67 HA LYS 67 2.672 3.916 1.452 513 HB2 LYS 67 HB2 LYS 67 3.160 6.304 1.146 514 HB3 LYS 67 HB3 LYS 67 1.450 5.961 0.923 515 HG2 LYS 67 HG2 LYS 67 0.978 7.546 2.389 516 HG3 LYS 67 HG3 LYS 67 1.778 6.594 3.641 517 HD2 LYS 67 HD2 LYS 67 3.117 8.395 3.821 518 HD3 LYS 67 HD3 LYS 67 3.913 7.716 2.401 519 HE2 LYS 67 HE2 LYS 67 1.559 9.449 1.927 520 HE3 LYS 67 HE3 LYS 67 3.026 10.236 2.508 521 HZ1 LYS 67 HZ1 LYS 67 2.639 9.941 -0.020 522 HZ2 LYS 67 HZ2 LYS 67 3.182 8.361 0.246 523 HZ3 LYS 67 HZ3 LYS 67 4.183 9.672 0.621 524 H VAL 68 H VAL 68 4.854 3.930 1.815 525 HA VAL 68 HA VAL 68 5.959 5.045 4.240 526 HB VAL 68 HB VAL 68 5.095 2.886 5.043 527 HG11 VAL 68 HG11 VAL 68 5.111 1.549 3.082 528 HG12 VAL 68 HG12 VAL 68 6.235 0.803 4.218 529 HG13 VAL 68 HG13 VAL 68 6.849 1.762 2.872 530 HG21 VAL 68 HG21 VAL 68 7.109 3.821 6.058 531 HG22 VAL 68 HG22 VAL 68 8.106 2.980 4.870 532 HG23 VAL 68 HG23 VAL 68 7.166 2.058 6.043 533 H ASP 69 H ASP 69 8.262 5.041 4.271 534 HA ASP 69 HA ASP 69 9.414 4.845 1.592 535 HB2 ASP 69 HB2 ASP 69 10.537 6.097 4.109 536 HB3 ASP 69 HB3 ASP 69 11.266 6.179 2.508 537 H ALA 70 H ALA 70 11.278 3.653 1.144 538 HA ALA 70 HA ALA 70 11.597 1.276 2.714 539 HB1 ALA 70 HB1 ALA 70 11.915 0.685 0.559 540 HB2 ALA 70 HB2 ALA 70 13.592 1.088 0.924 541 HB3 ALA 70 HB3 ALA 70 12.560 2.262 0.107 542 H THR 71 H THR 71 12.207 3.065 4.516 543 HA THR 71 HA THR 71 15.111 2.823 4.812 544 HB THR 71 HB THR 71 15.410 5.067 5.480 545 HG1 THR 71 HG1 THR 71 13.724 6.445 5.927 546 HG21 THR 71 HG21 THR 71 14.297 6.462 3.686 547 HG22 THR 71 HG22 THR 71 13.563 4.960 3.122 548 HG23 THR 71 HG23 THR 71 15.318 5.131 3.141 549 H ALA 72 H ALA 72 12.578 1.554 5.932 550 HA ALA 72 HA ALA 72 12.708 2.294 8.739 551 HB1 ALA 72 HB1 ALA 72 10.986 0.311 8.821 552 HB2 ALA 72 HB2 ALA 72 10.911 0.594 7.082 553 HB3 ALA 72 HB3 ALA 72 10.516 1.895 8.205 554 H ASN 73 H ASN 73 12.436 0.137 10.187 555 HA ASN 73 HA ASN 73 14.789 -1.527 9.564 556 HB2 ASN 73 HB2 ASN 73 13.791 -1.077 12.363 557 HB3 ASN 73 HB3 ASN 73 15.397 -1.560 11.826 558 HD21 ASN 73 HD21 ASN 73 13.112 1.125 11.814 559 HD22 ASN 73 HD22 ASN 73 14.304 2.376 11.811 560 H ASP 74 H ASP 74 14.736 -3.733 10.272 561 HA ASP 74 HA ASP 74 13.783 -5.793 10.405 562 HB2 ASP 74 HB2 ASP 74 12.078 -4.111 12.182 563 HB3 ASP 74 HB3 ASP 74 11.515 -5.733 11.793 564 H VAL 75 H VAL 75 13.441 -5.109 7.994 565 HA VAL 75 HA VAL 75 10.777 -5.996 7.296 566 HB VAL 75 HB VAL 75 11.782 -3.364 6.210 567 HG11 VAL 75 HG11 VAL 75 9.133 -3.525 5.604 568 HG12 VAL 75 HG12 VAL 75 9.638 -5.207 5.439 569 HG13 VAL 75 HG13 VAL 75 10.445 -3.947 4.504 570 HG21 VAL 75 HG21 VAL 75 11.102 -2.999 8.467 571 HG22 VAL 75 HG22 VAL 75 9.648 -3.971 8.246 572 HG23 VAL 75 HG23 VAL 75 9.804 -2.420 7.423 573 HA PRO 76 HA PRO 76 13.816 -7.900 4.496 574 HB2 PRO 76 HB2 PRO 76 12.122 -9.851 3.618 575 HB3 PRO 76 HB3 PRO 76 13.044 -9.966 5.122 576 HG2 PRO 76 HG2 PRO 76 10.186 -9.176 4.707 577 HG3 PRO 76 HG3 PRO 76 10.888 -10.230 5.950 578 HD2 PRO 76 HD2 PRO 76 10.227 -7.667 6.453 579 HD3 PRO 76 HD3 PRO 76 11.622 -8.447 7.224 580 H ASP 77 H ASP 77 13.518 -5.842 3.270 581 HA ASP 77 HA ASP 77 11.616 -6.105 1.049 582 HB2 ASP 77 HB2 ASP 77 12.215 -3.666 0.648 583 HB3 ASP 77 HB3 ASP 77 11.329 -4.015 2.129 584 H GLU 78 H GLU 78 13.090 -7.764 0.147 585 HA GLU 78 HA GLU 78 15.555 -6.717 -1.020 586 HB2 GLU 78 HB2 GLU 78 15.837 -9.102 -1.801 587 HB3 GLU 78 HB3 GLU 78 15.816 -8.879 -0.058 588 HG2 GLU 78 HG2 GLU 78 13.202 -9.432 -1.270 589 HG3 GLU 78 HG3 GLU 78 14.378 -10.739 -1.386 590 H ILE 79 H ILE 79 15.000 -5.417 -2.707 591 HA ILE 79 HA ILE 79 13.618 -6.719 -4.947 592 HB ILE 79 HB ILE 79 12.435 -4.620 -5.463 593 HG12 ILE 79 HG12 ILE 79 14.070 -3.178 -4.165 594 HG13 ILE 79 HG13 ILE 79 12.371 -2.782 -3.948 595 HG21 ILE 79 HG21 ILE 79 11.191 -4.841 -2.970 596 HG22 ILE 79 HG22 ILE 79 11.898 -6.425 -3.288 597 HG23 ILE 79 HG23 ILE 79 10.785 -5.707 -4.452 598 HD11 ILE 79 HD11 ILE 79 14.322 -3.424 -1.990 599 HD12 ILE 79 HD12 ILE 79 13.056 -4.652 -1.948 600 HD13 ILE 79 HD13 ILE 79 12.639 -2.948 -1.763 601 H GLN 80 H GLN 80 13.999 -5.683 -7.027 602 HA GLN 80 HA GLN 80 16.757 -4.938 -7.313 603 HB2 GLN 80 HB2 GLN 80 14.852 -6.155 -8.936 604 HB3 GLN 80 HB3 GLN 80 15.135 -4.598 -9.704 605 HG2 GLN 80 HG2 GLN 80 17.640 -5.745 -8.957 606 HG3 GLN 80 HG3 GLN 80 16.699 -6.931 -9.858 607 HE21 GLN 80 HE21 GLN 80 15.315 -5.340 -11.592 608 HE22 GLN 80 HE22 GLN 80 16.413 -4.559 -12.674 609 H GLY 81 H GLY 81 13.637 -3.324 -7.951 610 HA2 GLY 81 HA2 GLY 81 15.123 -0.768 -8.038 611 HA3 GLY 81 HA3 GLY 81 13.645 -1.069 -8.939 612 H PHE 82 H PHE 82 14.490 0.928 -6.802 613 HA PHE 82 HA PHE 82 13.297 0.577 -4.410 614 HB2 PHE 82 HB2 PHE 82 14.066 2.836 -6.012 615 HB3 PHE 82 HB3 PHE 82 12.691 3.188 -4.961 616 HD1 PHE 82 HD2 PHE 82 12.901 2.177 -2.566 617 HD2 PHE 82 HD1 PHE 82 16.139 3.129 -5.145 618 HE1 PHE 82 HE2 PHE 82 14.419 2.320 -0.616 619 HE2 PHE 82 HE1 PHE 82 17.654 3.248 -3.240 620 HZ PHE 82 HZ PHE 82 16.806 2.858 -0.950 621 HA PRO 83 HA PRO 83 9.190 2.030 -5.707 622 HB2 PRO 83 HB2 PRO 83 8.737 1.168 -8.457 623 HB3 PRO 83 HB3 PRO 83 8.472 2.752 -7.735 624 HG2 PRO 83 HG2 PRO 83 10.477 2.187 -9.517 625 HG3 PRO 83 HG3 PRO 83 10.533 3.505 -8.337 626 HD2 PRO 83 HD2 PRO 83 11.884 0.860 -8.291 627 HD3 PRO 83 HD3 PRO 83 12.405 2.412 -7.599 628 H THR 84 H THR 84 9.230 0.207 -4.315 629 HA THR 84 HA THR 84 8.418 -2.338 -5.506 630 HB THR 84 HB THR 84 9.989 -1.520 -3.169 631 HG1 THR 84 HG1 THR 84 10.659 -2.826 -4.993 632 HG21 THR 84 HG21 THR 84 9.454 -3.442 -1.780 633 HG22 THR 84 HG22 THR 84 8.114 -3.861 -2.847 634 HG23 THR 84 HG23 THR 84 8.067 -2.362 -1.918 635 H ILE 85 H ILE 85 6.546 -3.372 -4.941 636 HA ILE 85 HA ILE 85 4.672 -1.887 -3.222 637 HB ILE 85 HB ILE 85 3.880 -3.417 -5.700 638 HG12 ILE 85 HG12 ILE 85 3.302 -0.893 -6.355 639 HG13 ILE 85 HG13 ILE 85 4.667 -0.573 -5.290 640 HG21 ILE 85 HG21 ILE 85 2.353 -1.578 -3.864 641 HG22 ILE 85 HG22 ILE 85 2.133 -3.319 -4.042 642 HG23 ILE 85 HG23 ILE 85 1.731 -2.238 -5.376 643 HD11 ILE 85 HD11 ILE 85 5.971 -2.222 -6.684 644 HD12 ILE 85 HD12 ILE 85 5.541 -0.701 -7.465 645 HD13 ILE 85 HD13 ILE 85 4.631 -2.167 -7.830 646 H LYS 86 H LYS 86 4.145 -3.051 -1.505 647 HA LYS 86 HA LYS 86 4.295 -5.978 -1.664 648 HB2 LYS 86 HB2 LYS 86 4.547 -4.014 0.584 649 HB3 LYS 86 HB3 LYS 86 4.100 -5.679 0.926 650 HG2 LYS 86 HG2 LYS 86 6.426 -5.379 -0.831 651 HG3 LYS 86 HG3 LYS 86 6.643 -4.744 0.801 652 HD2 LYS 86 HD2 LYS 86 6.034 -6.872 1.759 653 HD3 LYS 86 HD3 LYS 86 5.637 -7.517 0.164 654 HE2 LYS 86 HE2 LYS 86 7.782 -7.956 -0.318 655 HE3 LYS 86 HE3 LYS 86 8.344 -6.428 0.359 656 HZ1 LYS 86 HZ1 LYS 86 8.781 -7.368 2.336 657 HZ2 LYS 86 HZ2 LYS 86 8.843 -8.806 1.449 658 HZ3 LYS 86 HZ3 LYS 86 7.436 -8.393 2.289 659 H LEU 87 H LEU 87 2.424 -6.930 -2.080 660 HA LEU 87 HA LEU 87 -0.067 -5.681 -1.199 661 HB2 LEU 87 HB2 LEU 87 0.699 -7.052 -3.520 662 HB3 LEU 87 HB3 LEU 87 -0.403 -8.134 -2.690 663 HG LEU 87 HG LEU 87 -1.546 -6.702 -4.332 664 HD11 LEU 87 HD11 LEU 87 -2.838 -7.517 -2.485 665 HD12 LEU 87 HD12 LEU 87 -3.307 -5.847 -2.804 666 HD13 LEU 87 HD13 LEU 87 -2.250 -6.221 -1.443 667 HD21 LEU 87 HD21 LEU 87 -0.005 -4.753 -4.035 668 HD22 LEU 87 HD22 LEU 87 -0.841 -4.399 -2.523 669 HD23 LEU 87 HD23 LEU 87 -1.719 -4.341 -4.052 670 H TYR 88 H TYR 88 -1.303 -6.458 0.375 671 HA TYR 88 HA TYR 88 -0.806 -9.168 1.401 672 HB2 TYR 88 HB2 TYR 88 -0.855 -6.589 2.941 673 HB3 TYR 88 HB3 TYR 88 -1.265 -8.116 3.718 674 HD1 TYR 88 HD2 TYR 88 0.531 -10.063 3.105 675 HD2 TYR 88 HD1 TYR 88 1.319 -5.883 3.206 676 HE1 TYR 88 HE2 TYR 88 2.918 -10.528 3.467 677 HE2 TYR 88 HE1 TYR 88 3.709 -6.337 3.566 678 HH TYR 88 HH TYR 88 5.012 -8.575 4.665 679 HA PRO 89 HA PRO 89 -5.301 -8.684 0.764 680 HB2 PRO 89 HB2 PRO 89 -5.771 -11.162 -0.137 681 HB3 PRO 89 HB3 PRO 89 -5.052 -9.924 -1.174 682 HG2 PRO 89 HG2 PRO 89 -3.728 -12.173 0.288 683 HG3 PRO 89 HG3 PRO 89 -3.432 -11.578 -1.355 684 HD2 PRO 89 HD2 PRO 89 -1.888 -10.929 0.826 685 HD3 PRO 89 HD3 PRO 89 -2.031 -9.924 -0.629 686 H ALA 90 H ALA 90 -6.980 -9.256 2.080 687 HA ALA 90 HA ALA 90 -6.339 -10.564 4.552 688 HB1 ALA 90 HB1 ALA 90 -8.527 -8.946 3.495 689 HB2 ALA 90 HB2 ALA 90 -7.871 -9.040 5.129 690 HB3 ALA 90 HB3 ALA 90 -9.057 -10.226 4.586 691 H GLY 91 H GLY 91 -6.517 -12.661 4.992 692 HA2 GLY 91 HA2 GLY 91 -7.670 -14.727 5.061 693 HA3 GLY 91 HA3 GLY 91 -8.553 -14.255 3.617 694 H ALA 92 H ALA 92 -5.929 -13.385 2.382 695 HA ALA 92 HA ALA 92 -4.833 -16.060 1.816 696 HB1 ALA 92 HB1 ALA 92 -5.604 -13.914 -0.144 697 HB2 ALA 92 HB2 ALA 92 -6.185 -15.577 -0.060 698 HB3 ALA 92 HB3 ALA 92 -4.526 -15.247 -0.559 699 H LYS 93 H LYS 93 -3.886 -13.934 3.601 700 HA LYS 93 HA LYS 93 -1.587 -12.776 2.282 701 HB2 LYS 93 HB2 LYS 93 -1.098 -11.805 4.495 702 HB3 LYS 93 HB3 LYS 93 -2.744 -11.474 3.978 703 HG2 LYS 93 HG2 LYS 93 -2.739 -13.901 5.464 704 HG3 LYS 93 HG3 LYS 93 -1.858 -12.676 6.379 705 HD2 LYS 93 HD2 LYS 93 -4.586 -12.235 5.177 706 HD3 LYS 93 HD3 LYS 93 -4.319 -12.768 6.838 707 HE2 LYS 93 HE2 LYS 93 -4.365 -10.563 7.283 708 HE3 LYS 93 HE3 LYS 93 -2.688 -10.625 6.749 709 HZ1 LYS 93 HZ1 LYS 93 -4.353 -10.318 4.505 710 HZ2 LYS 93 HZ2 LYS 93 -3.183 -9.253 5.102 711 HZ3 LYS 93 HZ3 LYS 93 -4.779 -9.149 5.652 712 H GLY 94 H GLY 94 0.343 -12.928 4.277 713 HA2 GLY 94 HA2 GLY 94 1.609 -14.550 5.526 714 HA3 GLY 94 HA3 GLY 94 0.883 -15.811 4.539 715 H GLN 95 H GLN 95 1.362 -13.882 2.176 716 HA GLN 95 HA GLN 95 4.248 -14.336 1.899 717 HB2 GLN 95 HB2 GLN 95 4.017 -15.187 -0.300 718 HB3 GLN 95 HB3 GLN 95 2.848 -16.058 0.680 719 HG2 GLN 95 HG2 GLN 95 2.235 -13.744 -1.147 720 HG3 GLN 95 HG3 GLN 95 1.940 -15.445 -1.495 721 HE21 GLN 95 HE21 GLN 95 0.725 -12.617 -0.098 722 HE22 GLN 95 HE22 GLN 95 -0.706 -13.285 0.602 723 HA PRO 96 HA PRO 96 3.948 -9.965 0.955 724 HB2 PRO 96 HB2 PRO 96 6.591 -9.571 0.442 725 HB3 PRO 96 HB3 PRO 96 5.932 -9.684 2.078 726 HG2 PRO 96 HG2 PRO 96 7.308 -11.778 0.440 727 HG3 PRO 96 HG3 PRO 96 7.512 -11.388 2.158 728 HD2 PRO 96 HD2 PRO 96 6.023 -13.480 1.320 729 HD3 PRO 96 HD3 PRO 96 5.617 -12.551 2.777 730 H VAL 97 H VAL 97 2.974 -9.578 -0.965 731 HA VAL 97 HA VAL 97 3.979 -10.712 -3.419 732 HB VAL 97 HB VAL 97 1.833 -8.614 -3.095 733 HG11 VAL 97 HG11 VAL 97 2.556 -8.743 -5.360 734 HG12 VAL 97 HG12 VAL 97 1.027 -9.615 -5.251 735 HG13 VAL 97 HG13 VAL 97 2.547 -10.506 -5.326 736 HG21 VAL 97 HG21 VAL 97 0.470 -10.898 -3.523 737 HG22 VAL 97 HG22 VAL 97 0.794 -10.237 -1.920 738 HG23 VAL 97 HG23 VAL 97 1.821 -11.514 -2.571 739 H THR 98 H THR 98 5.830 -9.899 -4.187 740 HA THR 98 HA THR 98 6.311 -7.019 -4.051 741 HB THR 98 HB THR 98 8.600 -7.734 -4.970 742 HG1 THR 98 HG1 THR 98 7.760 -10.278 -4.064 743 HG21 THR 98 HG21 THR 98 8.084 -9.047 -2.344 744 HG22 THR 98 HG22 THR 98 7.960 -7.294 -2.503 745 HG23 THR 98 HG23 THR 98 9.479 -8.109 -2.880 746 H TYR 99 H TYR 99 5.939 -5.749 -5.727 747 HA TYR 99 HA TYR 99 5.076 -6.806 -8.240 748 HB2 TYR 99 HB2 TYR 99 5.415 -4.089 -7.060 749 HB3 TYR 99 HB3 TYR 99 5.314 -4.223 -8.812 750 HD1 TYR 99 HD2 TYR 99 3.534 -6.135 -6.151 751 HD2 TYR 99 HD1 TYR 99 3.224 -3.396 -9.392 752 HE1 TYR 99 HE2 TYR 99 1.081 -6.237 -5.995 753 HE2 TYR 99 HE1 TYR 99 0.771 -3.490 -9.245 754 HH TYR 99 HH TYR 99 -0.857 -5.038 -6.609 755 H SER 100 H SER 100 6.037 -5.550 -10.268 756 HA SER 100 HA SER 100 8.960 -5.917 -10.181 757 HB2 SER 100 HB2 SER 100 6.917 -6.784 -12.182 758 HB3 SER 100 HB3 SER 100 8.527 -6.351 -12.759 759 HG SER 100 HG SER 100 8.075 -8.191 -10.653 760 H GLY 101 H GLY 101 7.019 -3.500 -9.981 761 HA2 GLY 101 HA2 GLY 101 8.331 -1.369 -10.556 762 HA3 GLY 101 HA3 GLY 101 8.123 -1.925 -12.210 763 H SER 102 H SER 102 6.983 0.220 -10.072 764 HA SER 102 HA SER 102 4.179 -0.014 -10.901 765 HB2 SER 102 HB2 SER 102 4.237 0.285 -8.579 766 HB3 SER 102 HB3 SER 102 5.560 1.448 -8.665 767 HG SER 102 HG SER 102 2.869 1.853 -9.471 768 H ARG 103 H ARG 103 3.047 1.852 -11.687 769 HA ARG 103 HA ARG 103 4.718 4.001 -12.764 770 HB2 ARG 103 HB2 ARG 103 2.888 2.221 -14.369 771 HB3 ARG 103 HB3 ARG 103 3.401 3.804 -14.935 772 HG2 ARG 103 HG2 ARG 103 5.540 1.973 -14.053 773 HG3 ARG 103 HG3 ARG 103 4.685 1.539 -15.534 774 HD2 ARG 103 1HD ARG 103 5.146 3.802 -16.416 775 HD3 ARG 103 2HD ARG 103 6.077 4.152 -14.961 776 HE ARG 103 HE ARG 103 6.945 2.668 -17.231 777 HH11 ARG 103 HH11 ARG 103 7.282 2.914 -13.766 778 HH12 ARG 103 HH12 ARG 103 8.866 2.213 -13.745 779 HH21 ARG 103 HH21 ARG 103 9.028 1.746 -17.205 780 HH22 ARG 103 HH22 ARG 103 9.857 1.551 -15.697 781 H THR 104 H THR 104 1.411 2.759 -12.374 782 HA THR 104 HA THR 104 0.574 5.411 -11.484 783 HB THR 104 HB THR 104 -1.086 3.915 -13.503 784 HG1 THR 104 HG1 THR 104 0.810 4.436 -14.561 785 HG21 THR 104 HG21 THR 104 -1.185 6.611 -12.265 786 HG22 THR 104 HG22 THR 104 -2.490 5.484 -12.637 787 HG23 THR 104 HG23 THR 104 -1.735 6.417 -13.930 788 H VAL 105 H VAL 105 -1.334 5.413 -10.210 789 HA VAL 105 HA VAL 105 -1.607 3.201 -8.502 790 HB VAL 105 HB VAL 105 -3.624 4.377 -7.623 791 HG11 VAL 105 HG11 VAL 105 -1.227 6.165 -8.011 792 HG12 VAL 105 HG12 VAL 105 -1.340 4.868 -6.821 793 HG13 VAL 105 HG13 VAL 105 -2.417 6.260 -6.713 794 HG21 VAL 105 HG21 VAL 105 -4.724 5.592 -9.161 795 HG22 VAL 105 HG22 VAL 105 -3.277 5.855 -10.135 796 HG23 VAL 105 HG23 VAL 105 -3.581 6.861 -8.718 797 H GLU 106 H GLU 106 -3.227 4.047 -11.461 798 HA GLU 106 HA GLU 106 -5.588 2.592 -11.216 799 HB2 GLU 106 HB2 GLU 106 -5.682 2.601 -13.639 800 HB3 GLU 106 HB3 GLU 106 -5.098 4.156 -13.063 801 HG2 GLU 106 HG2 GLU 106 -2.762 2.850 -13.431 802 HG3 GLU 106 HG3 GLU 106 -3.757 2.115 -14.687 803 H ASP 107 H ASP 107 -2.337 1.528 -11.995 804 HA ASP 107 HA ASP 107 -3.115 -1.111 -12.786 805 HB2 ASP 107 HB2 ASP 107 -0.847 0.371 -13.110 806 HB3 ASP 107 HB3 ASP 107 -0.355 -0.731 -11.828 807 H LEU 108 H LEU 108 -2.220 0.441 -9.792 808 HA LEU 108 HA LEU 108 -1.719 -1.937 -8.314 809 HB2 LEU 108 HB2 LEU 108 -0.840 0.209 -7.590 810 HB3 LEU 108 HB3 LEU 108 -2.465 0.841 -7.401 811 HG LEU 108 HG LEU 108 -2.665 -1.214 -5.718 812 HD11 LEU 108 HD11 LEU 108 0.260 -0.696 -6.011 813 HD12 LEU 108 HD12 LEU 108 -0.597 -2.226 -5.825 814 HD13 LEU 108 HD13 LEU 108 -0.402 -1.151 -4.441 815 HD21 LEU 108 HD21 LEU 108 -1.501 1.513 -5.247 816 HD22 LEU 108 HD22 LEU 108 -1.854 0.403 -3.923 817 HD23 LEU 108 HD23 LEU 108 -3.153 0.958 -4.979 818 H ILE 109 H ILE 109 -4.507 0.283 -8.380 819 HA ILE 109 HA ILE 109 -6.167 -1.127 -6.656 820 HB ILE 109 HB ILE 109 -6.686 1.134 -7.415 821 HG12 ILE 109 HG12 ILE 109 -8.789 -0.944 -8.058 822 HG13 ILE 109 HG13 ILE 109 -8.530 -0.136 -6.516 823 HG21 ILE 109 HG21 ILE 109 -5.947 0.593 -9.811 824 HG22 ILE 109 HG22 ILE 109 -7.302 1.700 -9.591 825 HG23 ILE 109 HG23 ILE 109 -7.599 0.022 -10.045 826 HD11 ILE 109 HD11 ILE 109 -8.972 2.000 -8.067 827 HD12 ILE 109 HD12 ILE 109 -10.253 1.117 -7.235 828 HD13 ILE 109 HD13 ILE 109 -9.921 0.795 -8.937 829 H LYS 110 H LYS 110 -5.845 -1.416 -10.183 830 HA LYS 110 HA LYS 110 -7.874 -3.280 -10.611 831 HB2 LYS 110 HB2 LYS 110 -5.440 -2.423 -12.069 832 HB3 LYS 110 HB3 LYS 110 -6.117 -3.979 -12.531 833 HG2 LYS 110 HG2 LYS 110 -8.352 -2.475 -12.512 834 HG3 LYS 110 HG3 LYS 110 -7.152 -1.260 -12.957 835 HD2 LYS 110 HD2 LYS 110 -7.017 -3.868 -14.358 836 HD3 LYS 110 HD3 LYS 110 -8.375 -2.812 -14.755 837 HE2 LYS 110 HE2 LYS 110 -6.939 -1.072 -15.460 838 HE3 LYS 110 HE3 LYS 110 -5.526 -1.851 -14.750 839 HZ1 LYS 110 HZ1 LYS 110 -5.391 -2.246 -17.042 840 HZ2 LYS 110 HZ2 LYS 110 -7.027 -2.655 -17.171 841 HZ3 LYS 110 HZ3 LYS 110 -5.953 -3.703 -16.391 842 H PHE 111 H PHE 111 -4.498 -3.742 -9.687 843 HA PHE 111 HA PHE 111 -4.480 -6.560 -9.905 844 HB2 PHE 111 HB2 PHE 111 -2.641 -4.530 -9.201 845 HB3 PHE 111 HB3 PHE 111 -2.677 -5.663 -7.854 846 HD1 PHE 111 HD2 PHE 111 -2.545 -5.714 -11.584 847 HD2 PHE 111 HD1 PHE 111 -1.225 -7.433 -7.922 848 HE1 PHE 111 HE2 PHE 111 -1.072 -7.237 -12.835 849 HE2 PHE 111 HE1 PHE 111 0.252 -8.958 -9.166 850 HZ PHE 111 HZ PHE 111 0.329 -8.862 -11.626 851 H ILE 112 H ILE 112 -4.955 -4.404 -7.116 852 HA ILE 112 HA ILE 112 -5.266 -6.371 -5.163 853 HB ILE 112 HB ILE 112 -6.664 -3.695 -5.233 854 HG12 ILE 112 HG12 ILE 112 -4.158 -4.073 -3.696 855 HG13 ILE 112 HG13 ILE 112 -3.990 -4.011 -5.447 856 HG21 ILE 112 HG21 ILE 112 -6.692 -3.871 -2.815 857 HG22 ILE 112 HG22 ILE 112 -5.867 -5.428 -2.897 858 HG23 ILE 112 HG23 ILE 112 -7.503 -5.263 -3.534 859 HD11 ILE 112 HD11 ILE 112 -5.593 -1.912 -4.082 860 HD12 ILE 112 HD12 ILE 112 -4.646 -1.825 -5.568 861 HD13 ILE 112 HD13 ILE 112 -3.832 -1.843 -4.003 862 H ALA 113 H ALA 113 -7.414 -5.361 -7.673 863 HA ALA 113 HA ALA 113 -9.796 -6.403 -6.429 864 HB1 ALA 113 HB1 ALA 113 -9.785 -4.496 -8.052 865 HB2 ALA 113 HB2 ALA 113 -10.930 -5.783 -8.431 866 HB3 ALA 113 HB3 ALA 113 -9.413 -5.662 -9.322 867 H GLU 114 H GLU 114 -7.406 -7.503 -8.751 868 HA GLU 114 HA GLU 114 -8.895 -9.939 -9.304 869 HB2 GLU 114 HB2 GLU 114 -6.140 -9.150 -10.259 870 HB3 GLU 114 HB3 GLU 114 -7.147 -10.441 -10.900 871 HG2 GLU 114 HG2 GLU 114 -8.192 -7.655 -10.915 872 HG3 GLU 114 HG3 GLU 114 -6.983 -8.127 -12.108 873 H ASN 115 H ASN 115 -6.200 -8.849 -7.385 874 HA ASN 115 HA ASN 115 -5.451 -11.586 -6.698 875 HB2 ASN 115 HB2 ASN 115 -4.223 -8.928 -5.939 876 HB3 ASN 115 HB3 ASN 115 -3.604 -10.495 -5.427 877 HD21 ASN 115 HD21 ASN 115 -4.458 -8.665 -8.332 878 HD22 ASN 115 HD22 ASN 115 -3.200 -9.313 -9.322 879 H GLY 116 H GLY 116 -7.030 -8.776 -5.351 880 HA2 GLY 116 HA2 GLY 116 -7.007 -9.697 -2.640 881 HA3 GLY 116 HA3 GLY 116 -7.983 -8.387 -3.286 882 H LYS 117 H LYS 117 -8.439 -10.900 -1.539 883 HA LYS 117 HA LYS 117 -10.381 -12.408 -3.029 884 HB2 LYS 117 HB2 LYS 117 -8.874 -13.000 -0.877 885 HB3 LYS 117 HB3 LYS 117 -10.369 -12.546 -0.069 886 HG2 LYS 117 HG2 LYS 117 -11.580 -14.195 -1.440 887 HG3 LYS 117 HG3 LYS 117 -10.048 -14.680 -2.169 888 HD2 LYS 117 HD2 LYS 117 -9.360 -14.953 0.381 889 HD3 LYS 117 HD3 LYS 117 -11.101 -15.177 0.564 890 HE2 LYS 117 HE2 LYS 117 -11.122 -17.094 -0.730 891 HE3 LYS 117 HE3 LYS 117 -9.624 -16.674 -1.558 892 HZ1 LYS 117 HZ1 LYS 117 -9.687 -18.503 0.298 893 HZ2 LYS 117 HZ2 LYS 117 -9.515 -17.171 1.325 894 HZ3 LYS 117 HZ3 LYS 117 -8.353 -17.475 0.134 895 H TYR 118 H TYR 118 -10.462 -9.399 -1.571 896 HA TYR 118 HA TYR 118 -13.256 -9.576 -0.755 897 HB2 TYR 118 HB2 TYR 118 -11.031 -7.670 -0.300 898 HB3 TYR 118 HB3 TYR 118 -12.650 -6.980 -0.370 899 HD1 TYR 118 HD1 TYR 118 -14.412 -8.614 1.003 900 HD2 TYR 118 HD2 TYR 118 -10.278 -8.053 1.836 901 HE1 TYR 118 HE1 TYR 118 -14.799 -9.276 3.340 902 HE2 TYR 118 HE2 TYR 118 -10.652 -8.714 4.174 903 HH TYR 118 HH TYR 118 -12.718 -8.680 5.788 904 H LYS 119 H LYS 119 -12.271 -9.697 -3.620 905 HA LYS 119 HA LYS 119 -13.340 -7.264 -4.777 906 HB2 LYS 119 HB2 LYS 119 -12.740 -8.297 -6.933 907 HB3 LYS 119 HB3 LYS 119 -11.386 -8.261 -5.812 908 HG2 LYS 119 HG2 LYS 119 -11.107 -10.412 -6.286 909 HG3 LYS 119 HG3 LYS 119 -12.552 -10.708 -5.317 910 HD2 LYS 119 HD2 LYS 119 -13.434 -11.607 -7.163 911 HD3 LYS 119 HD3 LYS 119 -13.571 -9.956 -7.770 912 HE2 LYS 119 HE2 LYS 119 -12.470 -11.237 -9.446 913 HE3 LYS 119 HE3 LYS 119 -11.257 -10.201 -8.696 914 HZ1 LYS 119 HZ1 LYS 119 -10.297 -11.980 -7.599 915 HZ2 LYS 119 HZ2 LYS 119 -10.699 -12.656 -9.097 916 HZ3 LYS 119 HZ3 LYS 119 -11.668 -12.962 -7.744 917 H ALA 120 H ALA 120 -14.854 -9.718 -3.386 918 HA ALA 120 HA ALA 120 -16.941 -10.610 -3.513 919 HB1 ALA 120 HB1 ALA 120 -17.152 -8.141 -5.136 920 HB2 ALA 120 HB2 ALA 120 -18.057 -8.643 -3.707 921 HB3 ALA 120 HB3 ALA 120 -18.454 -9.320 -5.286 922 H ALA 121 H ALA 121 -17.153 -12.578 -4.330 923 HA ALA 121 HA ALA 121 -17.029 -12.912 -7.252 924 HB1 ALA 121 HB1 ALA 121 -15.044 -13.922 -6.796 925 HB2 ALA 121 HB2 ALA 121 -16.112 -15.297 -6.513 926 HB3 ALA 121 HB3 ALA 121 -15.512 -14.351 -5.151 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 2.047 11.168 15.572 2 H2 GLY 1 2H GLY 1 3.397 12.140 15.266 3 H3 GLY 1 3H GLY 1 2.787 11.136 14.050 4 HA2 GLY 1 HA3 GLY 1 1.205 13.328 15.259 5 HA3 GLY 1 HA2 GLY 1 2.219 13.564 13.844 6 HA PRO 2 HA PRO 2 -1.534 10.641 12.726 7 HB2 PRO 2 HB2 PRO 2 -3.801 11.305 14.086 8 HB3 PRO 2 HB3 PRO 2 -2.704 10.018 14.596 9 HG2 PRO 2 HG2 PRO 2 -2.913 12.834 15.587 10 HG3 PRO 2 HG3 PRO 2 -2.685 11.336 16.508 11 HD2 PRO 2 HD2 PRO 2 -0.642 13.014 15.944 12 HD3 PRO 2 HD3 PRO 2 -0.424 11.256 16.059 13 H LEU 3 H LEU 3 -2.451 13.864 13.959 14 HA LEU 3 HA LEU 3 -3.405 15.668 12.956 15 HB2 LEU 3 HB2 LEU 3 -1.825 14.451 10.720 16 HB3 LEU 3 HB3 LEU 3 -2.840 15.849 10.419 17 HG LEU 3 HG LEU 3 -0.595 16.603 10.798 18 HD11 LEU 3 HD11 LEU 3 -2.745 17.613 12.059 19 HD12 LEU 3 HD12 LEU 3 -1.134 18.327 12.144 20 HD13 LEU 3 HD13 LEU 3 -1.704 17.278 13.443 21 HD21 LEU 3 HD21 LEU 3 0.819 15.830 12.378 22 HD22 LEU 3 HD22 LEU 3 -0.254 14.431 12.345 23 HD23 LEU 3 HD23 LEU 3 -0.451 15.664 13.590 24 H GLY 4 H GLY 4 -4.895 16.346 11.052 25 HA2 GLY 4 HA2 GLY 4 -6.899 14.207 10.761 26 HA3 GLY 4 HA3 GLY 4 -7.247 15.929 10.742 27 H SER 5 H SER 5 -4.987 16.524 8.966 28 HA SER 5 HA SER 5 -6.346 16.169 6.484 29 HB2 SER 5 HB2 SER 5 -3.835 17.502 7.380 30 HB3 SER 5 HB3 SER 5 -3.995 17.123 5.666 31 HG SER 5 HG SER 5 -6.062 18.240 5.786 32 H GLU 6 H GLU 6 -4.194 14.212 8.219 33 HA GLU 6 HA GLU 6 -3.133 12.896 5.842 34 HB2 GLU 6 HB2 GLU 6 -2.459 12.924 8.729 35 HB3 GLU 6 HB3 GLU 6 -2.152 11.422 7.868 36 HG2 GLU 6 HG2 GLU 6 -0.150 12.474 7.601 37 HG3 GLU 6 HG3 GLU 6 -0.986 13.006 6.142 38 H GLY 7 H GLY 7 -6.026 12.785 6.822 39 HA2 GLY 7 HA2 GLY 7 -6.738 10.351 7.883 40 HA3 GLY 7 HA3 GLY 7 -7.701 11.218 6.698 41 HA PRO 8 HA PRO 8 -6.935 8.278 3.507 42 HB2 PRO 8 HB2 PRO 8 -5.530 9.572 1.528 43 HB3 PRO 8 HB3 PRO 8 -7.271 9.732 1.779 44 HG2 PRO 8 HG2 PRO 8 -5.054 11.541 2.649 45 HG3 PRO 8 HG3 PRO 8 -6.645 11.957 1.984 46 HD2 PRO 8 HD2 PRO 8 -6.128 12.127 4.613 47 HD3 PRO 8 HD3 PRO 8 -7.719 11.621 4.009 48 H VAL 9 H VAL 9 -4.100 10.055 4.546 49 HA VAL 9 HA VAL 9 -2.267 8.047 3.538 50 HB VAL 9 HB VAL 9 -1.636 10.367 5.364 51 HG11 VAL 9 HG11 VAL 9 0.625 10.124 4.356 52 HG12 VAL 9 HG12 VAL 9 0.062 8.659 3.551 53 HG13 VAL 9 HG13 VAL 9 0.120 8.731 5.312 54 HG21 VAL 9 HG21 VAL 9 -2.751 11.142 3.309 55 HG22 VAL 9 HG22 VAL 9 -1.539 10.293 2.349 56 HG23 VAL 9 HG23 VAL 9 -1.062 11.641 3.382 57 H THR 10 H THR 10 -1.100 6.596 4.763 58 HA THR 10 HA THR 10 -1.688 6.454 7.633 59 HB THR 10 HB THR 10 -1.793 4.057 5.795 60 HG1 THR 10 HG1 THR 10 -4.046 4.146 6.213 61 HG21 THR 10 HG21 THR 10 -1.195 3.774 8.277 62 HG22 THR 10 HG22 THR 10 -2.478 2.776 7.592 63 HG23 THR 10 HG23 THR 10 -2.884 4.185 8.572 64 H VAL 11 H VAL 11 -0.053 5.647 8.902 65 HA VAL 11 HA VAL 11 2.555 5.474 7.614 66 HB VAL 11 HB VAL 11 2.333 6.930 9.571 67 HG11 VAL 11 HG11 VAL 11 0.902 6.234 11.145 68 HG12 VAL 11 HG12 VAL 11 2.275 5.328 11.781 69 HG13 VAL 11 HG13 VAL 11 1.110 4.535 10.720 70 HG21 VAL 11 HG21 VAL 11 4.427 5.467 8.998 71 HG22 VAL 11 HG22 VAL 11 4.035 4.674 10.524 72 HG23 VAL 11 HG23 VAL 11 4.374 6.405 10.490 73 H VAL 12 H VAL 12 3.918 3.716 7.732 74 HA VAL 12 HA VAL 12 2.871 1.267 8.976 75 HB VAL 12 HB VAL 12 4.128 1.279 6.236 76 HG11 VAL 12 HG11 VAL 12 2.895 -0.792 8.005 77 HG12 VAL 12 HG12 VAL 12 4.421 -0.839 7.124 78 HG13 VAL 12 HG13 VAL 12 2.896 -1.001 6.254 79 HG21 VAL 12 HG21 VAL 12 1.329 1.720 7.066 80 HG22 VAL 12 HG22 VAL 12 1.581 0.573 5.750 81 HG23 VAL 12 HG23 VAL 12 2.174 2.228 5.603 82 H VAL 13 H VAL 13 4.369 1.189 10.601 83 HA VAL 13 HA VAL 13 7.208 1.242 9.838 84 HB VAL 13 HB VAL 13 6.571 2.824 11.609 85 HG11 VAL 13 HG11 VAL 13 5.564 0.343 12.943 86 HG12 VAL 13 HG12 VAL 13 4.767 1.902 12.734 87 HG13 VAL 13 HG13 VAL 13 6.082 1.733 13.896 88 HG21 VAL 13 HG21 VAL 13 8.338 2.322 13.134 89 HG22 VAL 13 HG22 VAL 13 8.828 1.752 11.538 90 HG23 VAL 13 HG23 VAL 13 8.257 0.603 12.748 91 H ALA 14 H ALA 14 8.636 -0.322 10.950 92 HA ALA 14 HA ALA 14 8.055 -2.924 10.420 93 HB1 ALA 14 HB1 ALA 14 10.242 -2.838 10.866 94 HB2 ALA 14 HB2 ALA 14 9.765 -3.221 12.519 95 HB3 ALA 14 HB3 ALA 14 10.050 -1.545 12.050 96 H LYS 15 H LYS 15 7.295 -1.188 13.391 97 HA LYS 15 HA LYS 15 6.353 -3.591 14.706 98 HB2 LYS 15 HB2 LYS 15 6.614 -0.715 15.501 99 HB3 LYS 15 HB3 LYS 15 5.627 -1.809 16.461 100 HG2 LYS 15 HG2 LYS 15 7.455 -3.114 17.078 101 HG3 LYS 15 HG3 LYS 15 8.461 -2.487 15.770 102 HD2 LYS 15 HD2 LYS 15 9.051 -0.640 16.933 103 HD3 LYS 15 HD3 LYS 15 7.466 -0.487 17.695 104 HE2 LYS 15 HE2 LYS 15 9.465 -2.609 18.447 105 HE3 LYS 15 HE3 LYS 15 9.385 -1.037 19.240 106 HZ1 LYS 15 HZ1 LYS 15 8.137 -2.911 20.337 107 HZ2 LYS 15 HZ2 LYS 15 7.041 -2.836 19.051 108 HZ3 LYS 15 HZ3 LYS 15 7.249 -1.497 20.063 109 H ASN 16 H ASN 16 5.015 -1.467 12.490 110 HA ASN 16 HA ASN 16 2.296 -1.945 13.511 111 HB2 ASN 16 HB2 ASN 16 3.432 0.445 12.829 112 HB3 ASN 16 HB3 ASN 16 2.602 0.013 11.340 113 HD21 ASN 16 HD21 ASN 16 0.325 -0.451 11.467 114 HD22 ASN 16 HD22 ASN 16 -0.638 0.324 12.674 115 H TYR 17 H TYR 17 4.199 -1.819 10.514 116 HA TYR 17 HA TYR 17 2.393 -2.606 8.652 117 HB2 TYR 17 HB2 TYR 17 4.187 -2.833 7.321 118 HB3 TYR 17 HB3 TYR 17 5.135 -2.375 8.730 119 HD1 TYR 17 HD1 TYR 17 3.924 -5.235 6.734 120 HD2 TYR 17 HD2 TYR 17 6.575 -3.944 9.796 121 HE1 TYR 17 HE1 TYR 17 5.081 -7.401 6.630 122 HE2 TYR 17 HE2 TYR 17 7.754 -6.103 9.696 123 HH TYR 17 HH TYR 17 7.328 -8.315 7.185 124 H ASN 18 H ASN 18 4.215 -4.825 10.752 125 HA ASN 18 HA ASN 18 3.311 -7.230 9.778 126 HB2 ASN 18 HB2 ASN 18 4.007 -8.209 11.807 127 HB3 ASN 18 HB3 ASN 18 5.030 -6.792 11.612 128 HD21 ASN 18 HD21 ASN 18 3.661 -4.744 12.540 129 HD22 ASN 18 HD22 ASN 18 3.191 -4.972 14.183 130 H GLU 19 H GLU 19 1.592 -4.964 11.826 131 HA GLU 19 HA GLU 19 -0.511 -6.812 12.478 132 HB2 GLU 19 HB2 GLU 19 0.071 -3.949 13.024 133 HB3 GLU 19 HB3 GLU 19 -1.605 -4.469 13.132 134 HG2 GLU 19 HG2 GLU 19 -1.008 -6.146 14.775 135 HG3 GLU 19 HG3 GLU 19 0.693 -5.705 14.632 136 H ILE 20 H ILE 20 -0.495 -3.783 10.582 137 HA ILE 20 HA ILE 20 -3.063 -3.976 9.564 138 HB ILE 20 HB ILE 20 -2.270 -2.523 7.702 139 HG12 ILE 20 HG12 ILE 20 0.418 -2.910 9.040 140 HG13 ILE 20 HG13 ILE 20 -0.027 -3.459 7.427 141 HG21 ILE 20 HG21 ILE 20 -3.009 -1.524 9.761 142 HG22 ILE 20 HG22 ILE 20 -1.604 -0.638 9.167 143 HG23 ILE 20 HG23 ILE 20 -1.427 -1.781 10.498 144 HD11 ILE 20 HD11 ILE 20 0.970 -1.562 6.787 145 HD12 ILE 20 HD12 ILE 20 0.772 -0.801 8.367 146 HD13 ILE 20 HD13 ILE 20 -0.571 -0.824 7.224 147 H VAL 21 H VAL 21 -0.088 -5.390 8.318 148 HA VAL 21 HA VAL 21 -1.244 -6.333 5.883 149 HB VAL 21 HB VAL 21 0.835 -7.565 5.575 150 HG11 VAL 21 HG11 VAL 21 2.378 -5.687 5.577 151 HG12 VAL 21 HG12 VAL 21 1.338 -4.810 6.700 152 HG13 VAL 21 HG13 VAL 21 0.774 -5.163 5.067 153 HG21 VAL 21 HG21 VAL 21 1.602 -8.471 7.506 154 HG22 VAL 21 HG22 VAL 21 1.099 -7.093 8.483 155 HG23 VAL 21 HG23 VAL 21 2.576 -7.001 7.524 156 H LEU 22 H LEU 22 -0.629 -7.760 9.057 157 HA LEU 22 HA LEU 22 -1.403 -10.397 8.241 158 HB2 LEU 22 HB2 LEU 22 -0.885 -9.132 10.920 159 HB3 LEU 22 HB3 LEU 22 -1.421 -10.794 10.759 160 HG LEU 22 HG LEU 22 1.115 -9.695 9.540 161 HD11 LEU 22 HD11 LEU 22 0.814 -11.462 11.961 162 HD12 LEU 22 HD12 LEU 22 1.117 -9.726 12.029 163 HD13 LEU 22 HD13 LEU 22 2.307 -10.800 11.295 164 HD21 LEU 22 HD21 LEU 22 -0.090 -12.446 9.696 165 HD22 LEU 22 HD22 LEU 22 1.621 -12.170 9.369 166 HD23 LEU 22 HD23 LEU 22 0.400 -11.544 8.262 167 H ASP 23 H ASP 23 -3.176 -7.631 8.804 168 HA ASP 23 HA ASP 23 -5.382 -8.605 10.262 169 HB2 ASP 23 HB2 ASP 23 -4.833 -6.258 8.530 170 HB3 ASP 23 HB3 ASP 23 -6.526 -6.683 8.767 171 H ASP 24 H ASP 24 -6.424 -10.394 9.651 172 HA ASP 24 HA ASP 24 -6.808 -11.080 6.886 173 HB2 ASP 24 HB2 ASP 24 -8.038 -13.036 7.803 174 HB3 ASP 24 HB3 ASP 24 -6.423 -12.857 8.482 175 H THR 25 H THR 25 -8.475 -9.123 9.087 176 HA THR 25 HA THR 25 -10.998 -9.450 7.612 177 HB THR 25 HB THR 25 -10.953 -7.820 10.082 178 HG1 THR 25 HG1 THR 25 -9.903 -9.343 11.095 179 HG21 THR 25 HG21 THR 25 -12.775 -9.957 9.014 180 HG22 THR 25 HG22 THR 25 -13.071 -8.219 9.071 181 HG23 THR 25 HG23 THR 25 -12.991 -9.151 10.567 182 H LYS 26 H LYS 26 -8.638 -7.908 6.717 183 HA LYS 26 HA LYS 26 -9.990 -5.620 5.768 184 HB2 LYS 26 HB2 LYS 26 -8.479 -5.330 8.264 185 HB3 LYS 26 HB3 LYS 26 -8.011 -4.179 7.019 186 HG2 LYS 26 HG2 LYS 26 -10.839 -4.271 7.075 187 HG3 LYS 26 HG3 LYS 26 -10.271 -4.128 8.740 188 HD2 LYS 26 HD2 LYS 26 -8.666 -2.333 7.501 189 HD3 LYS 26 HD3 LYS 26 -10.123 -2.208 6.513 190 HE2 LYS 26 HE2 LYS 26 -10.080 -2.001 9.520 191 HE3 LYS 26 HE3 LYS 26 -10.049 -0.617 8.429 192 HZ1 LYS 26 HZ1 LYS 26 -12.200 -2.655 8.388 193 HZ2 LYS 26 HZ2 LYS 26 -12.192 -1.145 7.628 194 HZ3 LYS 26 HZ3 LYS 26 -12.287 -1.241 9.314 195 H ASP 27 H ASP 27 -9.068 -4.997 3.914 196 HA ASP 27 HA ASP 27 -6.587 -6.250 3.111 197 HB2 ASP 27 HB2 ASP 27 -8.865 -4.974 1.778 198 HB3 ASP 27 HB3 ASP 27 -7.315 -4.579 1.041 199 H VAL 28 H VAL 28 -4.648 -5.266 2.791 200 HA VAL 28 HA VAL 28 -4.499 -2.358 3.188 201 HB VAL 28 HB VAL 28 -2.554 -4.298 4.437 202 HG11 VAL 28 HG11 VAL 28 -2.933 -1.328 4.807 203 HG12 VAL 28 HG12 VAL 28 -1.632 -2.097 3.898 204 HG13 VAL 28 HG13 VAL 28 -1.750 -2.336 5.641 205 HG21 VAL 28 HG21 VAL 28 -4.998 -2.965 5.549 206 HG22 VAL 28 HG22 VAL 28 -3.646 -3.408 6.591 207 HG23 VAL 28 HG23 VAL 28 -4.498 -4.651 5.675 208 H LEU 29 H LEU 29 -2.815 -1.303 2.138 209 HA LEU 29 HA LEU 29 -1.155 -2.925 0.335 210 HB2 LEU 29 HB2 LEU 29 -2.155 -0.318 -0.675 211 HB3 LEU 29 HB3 LEU 29 -1.742 -1.775 -1.555 212 HG LEU 29 HG LEU 29 -4.215 -1.622 0.147 213 HD11 LEU 29 HD11 LEU 29 -3.687 -0.386 -2.472 214 HD12 LEU 29 HD12 LEU 29 -4.889 0.014 -1.244 215 HD13 LEU 29 HD13 LEU 29 -5.172 -1.330 -2.351 216 HD21 LEU 29 HD21 LEU 29 -4.951 -3.467 -1.159 217 HD22 LEU 29 HD22 LEU 29 -3.304 -3.825 -0.641 218 HD23 LEU 29 HD23 LEU 29 -3.611 -3.282 -2.291 219 H ILE 30 H ILE 30 0.821 -2.588 1.169 220 HA ILE 30 HA ILE 30 1.578 0.129 1.978 221 HB ILE 30 HB ILE 30 1.987 -1.626 3.631 222 HG12 ILE 30 HG12 ILE 30 4.518 -0.508 2.404 223 HG13 ILE 30 HG13 ILE 30 3.498 0.293 3.596 224 HG21 ILE 30 HG21 ILE 30 2.282 -3.509 2.116 225 HG22 ILE 30 HG22 ILE 30 3.645 -3.377 3.227 226 HG23 ILE 30 HG23 ILE 30 3.813 -2.833 1.558 227 HD11 ILE 30 HD11 ILE 30 4.915 -0.538 5.096 228 HD12 ILE 30 HD12 ILE 30 5.587 -1.698 3.951 229 HD13 ILE 30 HD13 ILE 30 4.103 -2.080 4.823 230 H GLU 31 H GLU 31 2.946 1.326 0.804 231 HA GLU 31 HA GLU 31 4.418 -0.010 -1.374 232 HB2 GLU 31 HB2 GLU 31 2.521 1.519 -2.059 233 HB3 GLU 31 HB3 GLU 31 3.463 2.851 -1.405 234 HG2 GLU 31 HG2 GLU 31 4.571 3.021 -3.305 235 HG3 GLU 31 HG3 GLU 31 5.139 1.361 -3.140 236 H PHE 32 H PHE 32 6.555 0.151 -1.324 237 HA PHE 32 HA PHE 32 7.779 1.987 0.597 238 HB2 PHE 32 HB2 PHE 32 8.694 -0.528 -0.763 239 HB3 PHE 32 HB3 PHE 32 9.873 0.579 -0.067 240 HD1 PHE 32 HD1 PHE 32 9.716 1.126 2.385 241 HD2 PHE 32 HD2 PHE 32 7.498 -2.026 0.579 242 HE1 PHE 32 HE1 PHE 32 9.361 0.112 4.599 243 HE2 PHE 32 HE2 PHE 32 7.138 -3.045 2.789 244 HZ PHE 32 HZ PHE 32 8.069 -1.975 4.803 245 H TYR 33 H TYR 33 8.534 3.860 -0.103 246 HA TYR 33 HA TYR 33 9.776 3.990 -2.760 247 HB2 TYR 33 HB2 TYR 33 8.689 6.101 -3.245 248 HB3 TYR 33 HB3 TYR 33 7.463 4.887 -2.895 249 HD1 TYR 33 HD1 TYR 33 6.637 4.818 -0.402 250 HD2 TYR 33 HD2 TYR 33 8.563 8.160 -2.197 251 HE1 TYR 33 HE1 TYR 33 5.669 6.290 1.313 252 HE2 TYR 33 HE2 TYR 33 7.601 9.641 -0.486 253 HH TYR 33 HH TYR 33 6.495 8.749 2.309 254 H ALA 34 H ALA 34 10.901 6.235 -2.991 255 HA ALA 34 HA ALA 34 12.032 7.156 -0.461 256 HB1 ALA 34 HB1 ALA 34 13.778 5.759 -0.797 257 HB2 ALA 34 HB2 ALA 34 14.314 7.054 -1.867 258 HB3 ALA 34 HB3 ALA 34 13.493 5.643 -2.533 259 HA PRO 35 HA PRO 35 11.708 11.073 -2.490 260 HB2 PRO 35 HB2 PRO 35 13.502 12.513 -1.049 261 HB3 PRO 35 HB3 PRO 35 11.922 12.037 -0.416 262 HG2 PRO 35 HG2 PRO 35 14.603 10.785 0.040 263 HG3 PRO 35 HG3 PRO 35 13.303 11.103 1.204 264 HD2 PRO 35 HD2 PRO 35 13.734 8.654 0.126 265 HD3 PRO 35 HD3 PRO 35 12.118 9.228 0.583 266 H TRP 36 H TRP 36 15.054 10.072 -1.768 267 HA TRP 36 HA TRP 36 16.118 11.574 -3.979 268 HB2 TRP 36 HB2 TRP 36 18.262 10.381 -3.350 269 HB3 TRP 36 HB3 TRP 36 17.540 11.368 -2.083 270 HD1 TRP 36 HD1 TRP 36 17.533 7.627 -3.139 271 HE1 TRP 36 HE1 TRP 36 17.493 6.205 -0.994 272 HE3 TRP 36 HE3 TRP 36 17.263 11.383 0.319 273 HZ2 TRP 36 HZ2 TRP 36 17.363 6.621 1.795 274 HZ3 TRP 36 HZ3 TRP 36 17.185 10.786 2.705 275 HH2 TRP 36 HH2 TRP 36 17.233 8.454 3.426 276 H CYS 37 H CYS 37 14.444 8.730 -3.843 277 HA CYS 37 HA CYS 37 15.761 6.863 -5.352 278 HB2 CYS 37 HB2 CYS 37 13.595 6.378 -4.427 279 HB3 CYS 37 HB3 CYS 37 12.842 7.644 -5.390 280 H GLY 38 H GLY 38 13.872 9.624 -6.558 281 HA2 GLY 38 HA2 GLY 38 14.463 10.867 -8.494 282 HA3 GLY 38 HA3 GLY 38 15.399 9.489 -9.060 283 H HIS 39 H HIS 39 13.386 7.524 -8.605 284 HA HIS 39 HA HIS 39 11.450 8.259 -10.699 285 HB2 HIS 39 HB2 HIS 39 12.533 5.508 -10.050 286 HB3 HIS 39 HB3 HIS 39 11.411 5.903 -11.347 287 HD1 HIS 39 HD1 HIS 39 12.508 7.796 -13.097 288 HD2 HIS 39 HD2 HIS 39 15.090 5.391 -10.902 289 HE1 HIS 39 HE1 HIS 39 14.707 7.885 -14.314 290 HE2 HIS 39 HE2 HIS 39 16.276 6.492 -12.920 291 H CYS 40 H CYS 40 11.724 7.728 -7.458 292 HA CYS 40 HA CYS 40 9.084 6.468 -7.213 293 HB2 CYS 40 HB2 CYS 40 11.092 6.949 -5.010 294 HB3 CYS 40 HB3 CYS 40 9.665 5.924 -4.951 295 H LYS 41 H LYS 41 10.795 9.431 -6.781 296 HA LYS 41 HA LYS 41 9.397 10.743 -4.816 297 HB2 LYS 41 HB2 LYS 41 11.293 11.471 -6.613 298 HB3 LYS 41 HB3 LYS 41 9.905 12.347 -7.243 299 HG2 LYS 41 HG2 LYS 41 9.578 13.288 -4.939 300 HG3 LYS 41 HG3 LYS 41 11.133 12.571 -4.508 301 HD2 LYS 41 HD2 LYS 41 12.323 14.029 -5.818 302 HD3 LYS 41 HD3 LYS 41 10.986 14.276 -6.944 303 HE2 LYS 41 HE2 LYS 41 9.859 15.380 -4.836 304 HE3 LYS 41 HE3 LYS 41 11.533 15.577 -4.320 305 HZ1 LYS 41 HZ1 LYS 41 11.979 17.032 -6.001 306 HZ2 LYS 41 HZ2 LYS 41 10.347 17.397 -5.743 307 HZ3 LYS 41 HZ3 LYS 41 10.797 16.402 -7.035 308 H ALA 42 H ALA 42 8.319 9.862 -8.001 309 HA ALA 42 HA ALA 42 6.005 11.582 -7.965 310 HB1 ALA 42 HB1 ALA 42 6.835 11.138 -10.115 311 HB2 ALA 42 HB2 ALA 42 5.367 10.169 -9.990 312 HB3 ALA 42 HB3 ALA 42 6.946 9.405 -9.808 313 H LEU 43 H LEU 43 6.799 8.334 -7.015 314 HA LEU 43 HA LEU 43 4.238 7.198 -6.957 315 HB2 LEU 43 HB2 LEU 43 6.820 6.412 -6.280 316 HB3 LEU 43 HB3 LEU 43 5.938 6.318 -4.768 317 HG LEU 43 HG LEU 43 5.897 4.168 -5.855 318 HD11 LEU 43 HD11 LEU 43 3.932 4.307 -4.716 319 HD12 LEU 43 HD12 LEU 43 3.298 4.125 -6.352 320 HD13 LEU 43 HD13 LEU 43 3.383 5.723 -5.611 321 HD21 LEU 43 HD21 LEU 43 5.243 5.798 -8.220 322 HD22 LEU 43 HD22 LEU 43 4.385 4.264 -8.080 323 HD23 LEU 43 HD23 LEU 43 6.149 4.290 -8.092 324 H ALA 44 H ALA 44 5.884 9.347 -4.749 325 HA ALA 44 HA ALA 44 4.249 8.997 -2.491 326 HB1 ALA 44 HB1 ALA 44 5.683 10.439 -1.603 327 HB2 ALA 44 HB2 ALA 44 5.163 11.713 -2.706 328 HB3 ALA 44 HB3 ALA 44 6.438 10.595 -3.189 329 HA PRO 45 HA PRO 45 1.689 12.859 -3.974 330 HB2 PRO 45 HB2 PRO 45 1.962 13.440 -6.658 331 HB3 PRO 45 HB3 PRO 45 2.804 14.287 -5.357 332 HG2 PRO 45 HG2 PRO 45 3.781 12.094 -7.136 333 HG3 PRO 45 HG3 PRO 45 4.635 13.538 -6.563 334 HD2 PRO 45 HD2 PRO 45 5.064 11.125 -5.472 335 HD3 PRO 45 HD3 PRO 45 5.083 12.604 -4.490 336 H LYS 46 H LYS 46 2.365 10.331 -6.362 337 HA LYS 46 HA LYS 46 -0.230 10.209 -7.463 338 HB2 LYS 46 HB2 LYS 46 2.237 8.657 -7.611 339 HB3 LYS 46 HB3 LYS 46 0.802 7.646 -7.708 340 HG2 LYS 46 HG2 LYS 46 1.625 8.347 -9.912 341 HG3 LYS 46 HG3 LYS 46 -0.016 8.909 -9.590 342 HD2 LYS 46 HD2 LYS 46 2.055 10.793 -8.749 343 HD3 LYS 46 HD3 LYS 46 2.058 10.466 -10.483 344 HE2 LYS 46 HE2 LYS 46 0.086 11.507 -10.813 345 HE3 LYS 46 HE3 LYS 46 -0.595 10.917 -9.297 346 HZ1 LYS 46 HZ1 LYS 46 0.011 13.444 -9.676 347 HZ2 LYS 46 HZ2 LYS 46 1.522 12.921 -9.124 348 HZ3 LYS 46 HZ3 LYS 46 0.150 12.710 -8.157 349 H TYR 47 H TYR 47 1.189 8.859 -4.584 350 HA TYR 47 HA TYR 47 -0.970 7.006 -4.115 351 HB2 TYR 47 HB2 TYR 47 1.654 7.398 -3.096 352 HB3 TYR 47 HB3 TYR 47 0.540 7.506 -1.737 353 HD1 TYR 47 HD2 TYR 47 1.447 5.343 -4.627 354 HD2 TYR 47 HD1 TYR 47 -0.312 5.563 -0.760 355 HE1 TYR 47 HE2 TYR 47 1.301 2.889 -4.560 356 HE2 TYR 47 HE1 TYR 47 -0.460 3.110 -0.680 357 HH TYR 47 HH TYR 47 0.557 1.170 -1.694 358 H GLU 48 H GLU 48 -0.250 10.303 -3.366 359 HA GLU 48 HA GLU 48 -1.996 10.550 -1.123 360 HB2 GLU 48 HB2 GLU 48 -0.416 12.381 -2.834 361 HB3 GLU 48 HB3 GLU 48 -1.816 13.084 -2.037 362 HG2 GLU 48 HG2 GLU 48 -0.696 11.755 0.025 363 HG3 GLU 48 HG3 GLU 48 0.737 12.162 -0.917 364 H GLU 49 H GLU 49 -2.336 10.872 -4.591 365 HA GLU 49 HA GLU 49 -4.936 12.073 -4.495 366 HB2 GLU 49 HB2 GLU 49 -3.293 12.270 -6.407 367 HB3 GLU 49 HB3 GLU 49 -3.685 10.606 -6.818 368 HG2 GLU 49 HG2 GLU 49 -5.252 11.478 -8.131 369 HG3 GLU 49 HG3 GLU 49 -6.158 11.758 -6.645 370 H LEU 50 H LEU 50 -3.767 8.826 -5.400 371 HA LEU 50 HA LEU 50 -6.298 7.661 -5.715 372 HB2 LEU 50 HB2 LEU 50 -4.445 6.512 -6.620 373 HB3 LEU 50 HB3 LEU 50 -3.585 6.524 -5.094 374 HG LEU 50 HG LEU 50 -5.311 4.948 -4.188 375 HD11 LEU 50 HD11 LEU 50 -6.408 3.703 -6.291 376 HD12 LEU 50 HD12 LEU 50 -6.384 5.356 -6.907 377 HD13 LEU 50 HD13 LEU 50 -7.218 4.990 -5.396 378 HD21 LEU 50 HD21 LEU 50 -4.485 3.153 -6.111 379 HD22 LEU 50 HD22 LEU 50 -3.602 3.592 -4.649 380 HD23 LEU 50 HD23 LEU 50 -3.252 4.412 -6.170 381 H GLY 51 H GLY 51 -4.343 8.244 -2.877 382 HA2 GLY 51 HA2 GLY 51 -5.734 6.506 -1.114 383 HA3 GLY 51 HA3 GLY 51 -4.716 7.858 -0.642 384 H ALA 52 H ALA 52 -6.104 9.949 -1.873 385 HA ALA 52 HA ALA 52 -8.170 10.381 0.044 386 HB1 ALA 52 HB1 ALA 52 -8.521 12.430 -1.644 387 HB2 ALA 52 HB2 ALA 52 -6.889 11.948 -2.109 388 HB3 ALA 52 HB3 ALA 52 -7.236 12.385 -0.436 389 H LEU 53 H LEU 53 -8.085 9.323 -3.276 390 HA LEU 53 HA LEU 53 -10.887 9.742 -3.754 391 HB2 LEU 53 HB2 LEU 53 -8.569 8.800 -5.258 392 HB3 LEU 53 HB3 LEU 53 -10.028 7.901 -5.629 393 HG LEU 53 HG LEU 53 -11.031 10.365 -5.835 394 HD11 LEU 53 HD11 LEU 53 -9.442 11.888 -6.827 395 HD12 LEU 53 HD12 LEU 53 -8.147 10.706 -6.638 396 HD13 LEU 53 HD13 LEU 53 -8.897 11.428 -5.214 397 HD21 LEU 53 HD21 LEU 53 -11.289 8.911 -7.632 398 HD22 LEU 53 HD22 LEU 53 -9.550 8.700 -7.837 399 HD23 LEU 53 HD23 LEU 53 -10.316 10.219 -8.305 400 H TYR 54 H TYR 54 -8.896 6.787 -3.522 401 HA TYR 54 HA TYR 54 -11.014 4.978 -3.422 402 HB2 TYR 54 HB2 TYR 54 -8.226 4.837 -3.318 403 HB3 TYR 54 HB3 TYR 54 -8.764 4.098 -1.813 404 HD1 TYR 54 HD1 TYR 54 -10.138 4.062 -5.290 405 HD2 TYR 54 HD2 TYR 54 -8.663 1.800 -2.003 406 HE1 TYR 54 HE1 TYR 54 -10.642 1.983 -6.503 407 HE2 TYR 54 HE2 TYR 54 -9.162 -0.286 -3.207 408 HH TYR 54 HH TYR 54 -9.427 -0.994 -5.631 409 H ALA 55 H ALA 55 -9.378 6.730 -0.830 410 HA ALA 55 HA ALA 55 -10.523 5.419 1.358 411 HB1 ALA 55 HB1 ALA 55 -8.651 6.934 1.612 412 HB2 ALA 55 HB2 ALA 55 -9.992 7.461 2.628 413 HB3 ALA 55 HB3 ALA 55 -9.653 8.296 1.112 414 H LYS 56 H LYS 56 -11.811 7.841 -0.793 415 HA LYS 56 HA LYS 56 -14.175 8.197 0.895 416 HB2 LYS 56 HB2 LYS 56 -12.777 10.021 -0.528 417 HB3 LYS 56 HB3 LYS 56 -13.998 9.583 -1.715 418 HG2 LYS 56 HG2 LYS 56 -15.761 10.254 -0.273 419 HG3 LYS 56 HG3 LYS 56 -14.656 10.437 1.091 420 HD2 LYS 56 HD2 LYS 56 -13.913 12.457 0.387 421 HD3 LYS 56 HD3 LYS 56 -14.016 12.017 -1.319 422 HE2 LYS 56 HE2 LYS 56 -15.781 13.404 -1.343 423 HE3 LYS 56 HE3 LYS 56 -16.640 12.045 -0.619 424 HZ1 LYS 56 HZ1 LYS 56 -15.788 14.551 0.577 425 HZ2 LYS 56 HZ2 LYS 56 -15.605 13.178 1.548 426 HZ3 LYS 56 HZ3 LYS 56 -17.128 13.581 0.932 427 H SER 57 H SER 57 -13.762 5.658 -0.324 428 HA SER 57 HA SER 57 -15.915 5.612 -2.334 429 HB2 SER 57 HB2 SER 57 -13.760 4.786 -3.188 430 HB3 SER 57 HB3 SER 57 -13.699 3.596 -1.887 431 HG SER 57 HG SER 57 -14.563 2.933 -4.044 432 H GLU 58 H GLU 58 -16.710 3.068 -2.319 433 HA GLU 58 HA GLU 58 -18.205 2.886 0.121 434 HB2 GLU 58 HB2 GLU 58 -19.309 0.987 -0.921 435 HB3 GLU 58 HB3 GLU 58 -19.196 2.321 -2.061 436 HG2 GLU 58 HG2 GLU 58 -17.503 1.265 -3.296 437 HG3 GLU 58 HG3 GLU 58 -17.196 0.088 -2.020 438 H PHE 59 H PHE 59 -15.228 1.607 -0.981 439 HA PHE 59 HA PHE 59 -15.293 -0.598 0.939 440 HB2 PHE 59 HB2 PHE 59 -13.034 0.075 -0.942 441 HB3 PHE 59 HB3 PHE 59 -13.371 -1.464 -0.157 442 HD1 PHE 59 HD1 PHE 59 -15.923 -2.283 -0.720 443 HD2 PHE 59 HD2 PHE 59 -13.416 0.108 -3.192 444 HE1 PHE 59 HE1 PHE 59 -17.183 -3.017 -2.702 445 HE2 PHE 59 HE2 PHE 59 -14.672 -0.621 -5.178 446 HZ PHE 59 HZ PHE 59 -16.559 -2.185 -4.934 447 H LYS 60 H LYS 60 -15.261 2.079 1.943 448 HA LYS 60 HA LYS 60 -12.683 2.945 2.657 449 HB2 LYS 60 HB2 LYS 60 -13.731 4.474 4.105 450 HB3 LYS 60 HB3 LYS 60 -14.870 4.249 2.788 451 HG2 LYS 60 HG2 LYS 60 -15.064 2.775 5.404 452 HG3 LYS 60 HG3 LYS 60 -15.863 4.315 5.089 453 HD2 LYS 60 HD2 LYS 60 -16.278 1.748 3.558 454 HD3 LYS 60 HD3 LYS 60 -17.393 2.455 4.728 455 HE2 LYS 60 HE2 LYS 60 -16.831 4.482 2.870 456 HE3 LYS 60 HE3 LYS 60 -17.091 3.017 1.926 457 HZ1 LYS 60 HZ1 LYS 60 -19.207 3.852 2.149 458 HZ2 LYS 60 HZ2 LYS 60 -18.953 4.417 3.722 459 HZ3 LYS 60 HZ3 LYS 60 -19.149 2.761 3.441 460 H ASP 61 H ASP 61 -14.785 0.523 4.014 461 HA ASP 61 HA ASP 61 -12.977 0.185 6.301 462 HB2 ASP 61 HB2 ASP 61 -15.673 0.283 6.307 463 HB3 ASP 61 HB3 ASP 61 -15.438 -1.452 6.117 464 H ARG 62 H ARG 62 -12.719 -0.767 3.361 465 HA ARG 62 HA ARG 62 -12.205 -3.598 3.998 466 HB2 ARG 62 HB2 ARG 62 -13.394 -2.286 1.640 467 HB3 ARG 62 HB3 ARG 62 -12.216 -3.540 1.277 468 HG2 ARG 62 HG2 ARG 62 -13.478 -5.167 2.499 469 HG3 ARG 62 HG3 ARG 62 -14.589 -3.928 3.088 470 HD2 ARG 62 1HD ARG 62 -14.863 -3.513 0.469 471 HD3 ARG 62 2HD ARG 62 -14.406 -5.215 0.422 472 HE ARG 62 HE ARG 62 -16.499 -4.634 2.304 473 HH11 ARG 62 HH11 ARG 62 -15.778 -5.393 -1.025 474 HH12 ARG 62 HH12 ARG 62 -17.348 -6.047 -1.347 475 HH21 ARG 62 HH21 ARG 62 -18.566 -5.493 1.882 476 HH22 ARG 62 HH22 ARG 62 -18.932 -6.103 0.303 477 H VAL 63 H VAL 63 -11.136 -1.449 1.374 478 HA VAL 63 HA VAL 63 -8.390 -2.351 1.838 479 HB VAL 63 HB VAL 63 -9.419 -0.708 -0.476 480 HG11 VAL 63 HG11 VAL 63 -6.846 -2.087 0.158 481 HG12 VAL 63 HG12 VAL 63 -7.123 -0.472 -0.494 482 HG13 VAL 63 HG13 VAL 63 -7.348 -1.888 -1.521 483 HG21 VAL 63 HG21 VAL 63 -10.616 -2.834 -0.380 484 HG22 VAL 63 HG22 VAL 63 -9.082 -3.701 -0.291 485 HG23 VAL 63 HG23 VAL 63 -9.500 -2.797 -1.746 486 H VAL 64 H VAL 64 -6.711 -0.980 2.293 487 HA VAL 64 HA VAL 64 -7.342 1.869 2.649 488 HB VAL 64 HB VAL 64 -7.478 0.788 4.851 489 HG11 VAL 64 HG11 VAL 64 -4.552 0.204 4.774 490 HG12 VAL 64 HG12 VAL 64 -5.695 -0.969 4.119 491 HG13 VAL 64 HG13 VAL 64 -5.808 -0.476 5.809 492 HG21 VAL 64 HG21 VAL 64 -4.935 2.277 5.072 493 HG22 VAL 64 HG22 VAL 64 -6.465 2.509 5.918 494 HG23 VAL 64 HG23 VAL 64 -6.268 3.108 4.271 495 H ILE 65 H ILE 65 -5.881 3.184 1.770 496 HA ILE 65 HA ILE 65 -3.503 2.062 0.566 497 HB ILE 65 HB ILE 65 -4.349 4.957 0.589 498 HG12 ILE 65 HG12 ILE 65 -6.161 3.505 -0.277 499 HG13 ILE 65 HG13 ILE 65 -5.477 4.541 -1.526 500 HG21 ILE 65 HG21 ILE 65 -3.037 5.030 -1.512 501 HG22 ILE 65 HG22 ILE 65 -2.537 3.364 -1.217 502 HG23 ILE 65 HG23 ILE 65 -2.065 4.639 -0.093 503 HD11 ILE 65 HD11 ILE 65 -4.934 2.793 -2.769 504 HD12 ILE 65 HD12 ILE 65 -5.852 1.797 -1.641 505 HD13 ILE 65 HD13 ILE 65 -4.115 2.005 -1.421 506 H ALA 66 H ALA 66 -1.751 1.771 1.779 507 HA ALA 66 HA ALA 66 -1.085 3.809 3.801 508 HB1 ALA 66 HB1 ALA 66 -1.519 1.223 4.318 509 HB2 ALA 66 HB2 ALA 66 -0.373 2.203 5.232 510 HB3 ALA 66 HB3 ALA 66 0.202 1.150 3.940 511 H LYS 67 H LYS 67 0.735 4.935 3.561 512 HA LYS 67 HA LYS 67 2.603 4.101 1.449 513 HB2 LYS 67 HB2 LYS 67 1.454 6.653 2.202 514 HB3 LYS 67 HB3 LYS 67 3.210 6.734 2.185 515 HG2 LYS 67 HG2 LYS 67 2.746 5.438 -0.142 516 HG3 LYS 67 HG3 LYS 67 1.307 6.452 -0.030 517 HD2 LYS 67 HD2 LYS 67 3.997 7.647 0.478 518 HD3 LYS 67 HD3 LYS 67 3.472 7.358 -1.182 519 HE2 LYS 67 HE2 LYS 67 2.598 9.428 -0.968 520 HE3 LYS 67 HE3 LYS 67 1.272 8.551 -0.206 521 HZ1 LYS 67 HZ1 LYS 67 2.507 10.595 0.938 522 HZ2 LYS 67 HZ2 LYS 67 3.465 9.335 1.535 523 HZ3 LYS 67 HZ3 LYS 67 1.798 9.339 1.824 524 H VAL 68 H VAL 68 4.862 4.282 1.802 525 HA VAL 68 HA VAL 68 5.957 4.976 4.335 526 HB VAL 68 HB VAL 68 4.950 2.828 4.973 527 HG11 VAL 68 HG11 VAL 68 6.032 0.745 3.990 528 HG12 VAL 68 HG12 VAL 68 6.596 1.788 2.685 529 HG13 VAL 68 HG13 VAL 68 4.867 1.595 2.974 530 HG21 VAL 68 HG21 VAL 68 6.924 1.823 5.959 531 HG22 VAL 68 HG22 VAL 68 7.048 3.581 6.022 532 HG23 VAL 68 HG23 VAL 68 7.959 2.675 4.814 533 H ASP 69 H ASP 69 8.267 4.747 4.410 534 HA ASP 69 HA ASP 69 9.449 4.595 1.726 535 HB2 ASP 69 HB2 ASP 69 10.216 6.062 4.234 536 HB3 ASP 69 HB3 ASP 69 11.415 5.749 2.984 537 H ALA 70 H ALA 70 11.297 3.360 1.340 538 HA ALA 70 HA ALA 70 11.586 1.066 3.082 539 HB1 ALA 70 HB1 ALA 70 13.383 0.574 1.174 540 HB2 ALA 70 HB2 ALA 70 12.393 1.757 0.319 541 HB3 ALA 70 HB3 ALA 70 11.658 0.285 0.954 542 H THR 71 H THR 71 12.417 3.123 4.552 543 HA THR 71 HA THR 71 15.313 2.705 4.695 544 HB THR 71 HB THR 71 15.821 4.987 4.935 545 HG1 THR 71 HG1 THR 71 14.477 6.369 5.756 546 HG21 THR 71 HG21 THR 71 15.480 4.698 2.635 547 HG22 THR 71 HG22 THR 71 14.625 6.182 3.054 548 HG23 THR 71 HG23 THR 71 13.725 4.684 2.812 549 H ALA 72 H ALA 72 12.799 1.827 6.174 550 HA ALA 72 HA ALA 72 13.250 2.974 8.816 551 HB1 ALA 72 HB1 ALA 72 10.953 2.724 8.162 552 HB2 ALA 72 HB2 ALA 72 11.293 1.593 9.472 553 HB3 ALA 72 HB3 ALA 72 11.194 1.013 7.810 554 H ASN 73 H ASN 73 12.881 1.096 10.593 555 HA ASN 73 HA ASN 73 15.060 -0.821 10.107 556 HB2 ASN 73 HB2 ASN 73 14.067 -0.259 12.866 557 HB3 ASN 73 HB3 ASN 73 15.695 -0.643 12.317 558 HD21 ASN 73 HD21 ASN 73 13.249 1.882 12.392 559 HD22 ASN 73 HD22 ASN 73 14.352 3.210 12.323 560 H ASP 74 H ASP 74 14.863 -2.915 11.287 561 HA ASP 74 HA ASP 74 13.794 -4.907 11.551 562 HB2 ASP 74 HB2 ASP 74 11.947 -2.931 12.821 563 HB3 ASP 74 HB3 ASP 74 11.394 -4.591 12.622 564 H VAL 75 H VAL 75 13.529 -3.548 8.997 565 HA VAL 75 HA VAL 75 11.080 -4.881 8.062 566 HB VAL 75 HB VAL 75 10.641 -2.477 8.097 567 HG11 VAL 75 HG11 VAL 75 12.567 -1.852 5.961 568 HG12 VAL 75 HG12 VAL 75 13.260 -2.124 7.560 569 HG13 VAL 75 HG13 VAL 75 12.031 -0.879 7.331 570 HG21 VAL 75 HG21 VAL 75 10.620 -2.378 5.343 571 HG22 VAL 75 HG22 VAL 75 9.367 -3.080 6.366 572 HG23 VAL 75 HG23 VAL 75 10.630 -4.107 5.687 573 HA PRO 76 HA PRO 76 14.491 -6.737 5.684 574 HB2 PRO 76 HB2 PRO 76 12.323 -8.548 4.822 575 HB3 PRO 76 HB3 PRO 76 13.876 -8.929 5.569 576 HG2 PRO 76 HG2 PRO 76 11.572 -9.149 6.927 577 HG3 PRO 76 HG3 PRO 76 13.073 -8.625 7.712 578 HD2 PRO 76 HD2 PRO 76 10.735 -6.994 6.805 579 HD3 PRO 76 HD3 PRO 76 11.722 -6.833 8.273 580 H ASP 77 H ASP 77 11.300 -7.087 4.144 581 HA ASP 77 HA ASP 77 10.667 -6.754 1.968 582 HB2 ASP 77 HB2 ASP 77 10.784 -4.381 1.293 583 HB3 ASP 77 HB3 ASP 77 10.240 -4.575 2.956 584 H GLU 78 H GLU 78 12.110 -8.260 0.982 585 HA GLU 78 HA GLU 78 14.599 -7.233 -0.121 586 HB2 GLU 78 HB2 GLU 78 13.306 -9.939 0.006 587 HB3 GLU 78 HB3 GLU 78 14.620 -9.640 -1.124 588 HG2 GLU 78 HG2 GLU 78 16.175 -9.638 0.485 589 HG3 GLU 78 HG3 GLU 78 15.150 -8.757 1.618 590 H ILE 79 H ILE 79 14.262 -5.889 -1.802 591 HA ILE 79 HA ILE 79 12.787 -6.970 -4.097 592 HB ILE 79 HB ILE 79 11.830 -4.757 -4.576 593 HG12 ILE 79 HG12 ILE 79 13.570 -3.487 -3.260 594 HG13 ILE 79 HG13 ILE 79 11.912 -2.956 -3.003 595 HG21 ILE 79 HG21 ILE 79 10.606 -4.947 -2.029 596 HG22 ILE 79 HG22 ILE 79 11.051 -6.577 -2.534 597 HG23 ILE 79 HG23 ILE 79 10.035 -5.578 -3.574 598 HD11 ILE 79 HD11 ILE 79 12.410 -4.906 -1.055 599 HD12 ILE 79 HD12 ILE 79 12.249 -3.164 -0.831 600 HD13 ILE 79 HD13 ILE 79 13.839 -3.875 -1.104 601 H GLN 80 H GLN 80 13.317 -5.919 -6.142 602 HA GLN 80 HA GLN 80 16.155 -5.393 -6.300 603 HB2 GLN 80 HB2 GLN 80 15.854 -5.538 -8.707 604 HB3 GLN 80 HB3 GLN 80 15.062 -6.893 -7.915 605 HG2 GLN 80 HG2 GLN 80 12.936 -5.455 -8.051 606 HG3 GLN 80 HG3 GLN 80 13.835 -4.506 -9.234 607 HE21 GLN 80 HE21 GLN 80 11.915 -7.216 -8.720 608 HE22 GLN 80 HE22 GLN 80 12.111 -7.964 -10.265 609 H GLY 81 H GLY 81 13.149 -3.655 -7.121 610 HA2 GLY 81 HA2 GLY 81 14.783 -1.199 -7.343 611 HA3 GLY 81 HA3 GLY 81 13.296 -1.468 -8.237 612 H PHE 82 H PHE 82 14.250 0.610 -6.230 613 HA PHE 82 HA PHE 82 13.005 0.482 -3.834 614 HB2 PHE 82 HB2 PHE 82 13.976 2.580 -5.550 615 HB3 PHE 82 HB3 PHE 82 12.631 3.099 -4.527 616 HD1 PHE 82 HD1 PHE 82 12.790 1.915 -2.111 617 HD2 PHE 82 HD2 PHE 82 16.015 2.998 -4.658 618 HE1 PHE 82 HE1 PHE 82 14.312 1.999 -0.161 619 HE2 PHE 82 HE2 PHE 82 17.528 3.076 -2.748 620 HZ PHE 82 HZ PHE 82 16.690 2.585 -0.475 621 HA PRO 83 HA PRO 83 9.037 2.090 -5.197 622 HB2 PRO 83 HB2 PRO 83 8.171 1.843 -7.773 623 HB3 PRO 83 HB3 PRO 83 9.041 3.257 -7.173 624 HG2 PRO 83 HG2 PRO 83 10.060 0.941 -8.753 625 HG3 PRO 83 HG3 PRO 83 10.473 2.660 -8.887 626 HD2 PRO 83 HD2 PRO 83 12.022 0.798 -7.586 627 HD3 PRO 83 HD3 PRO 83 12.035 2.533 -7.215 628 H THR 84 H THR 84 9.226 0.043 -4.024 629 HA THR 84 HA THR 84 8.236 -2.324 -5.379 630 HB THR 84 HB THR 84 9.756 -1.693 -2.951 631 HG1 THR 84 HG1 THR 84 10.598 -2.867 -4.685 632 HG21 THR 84 HG21 THR 84 7.754 -2.561 -1.826 633 HG22 THR 84 HG22 THR 84 9.127 -3.658 -1.681 634 HG23 THR 84 HG23 THR 84 7.831 -4.015 -2.822 635 H ILE 85 H ILE 85 6.308 -3.327 -4.945 636 HA ILE 85 HA ILE 85 4.413 -1.848 -3.240 637 HB ILE 85 HB ILE 85 3.561 -3.393 -5.673 638 HG12 ILE 85 HG12 ILE 85 4.235 -0.446 -5.527 639 HG13 ILE 85 HG13 ILE 85 5.132 -1.664 -6.428 640 HG21 ILE 85 HG21 ILE 85 1.656 -1.679 -5.458 641 HG22 ILE 85 HG22 ILE 85 2.295 -1.393 -3.839 642 HG23 ILE 85 HG23 ILE 85 1.730 -3.001 -4.293 643 HD11 ILE 85 HD11 ILE 85 3.845 -1.289 -8.179 644 HD12 ILE 85 HD12 ILE 85 2.908 -0.113 -7.256 645 HD13 ILE 85 HD13 ILE 85 2.436 -1.813 -7.256 646 H LYS 86 H LYS 86 3.846 -3.016 -1.542 647 HA LYS 86 HA LYS 86 3.883 -5.946 -1.740 648 HB2 LYS 86 HB2 LYS 86 4.742 -4.100 0.269 649 HB3 LYS 86 HB3 LYS 86 3.464 -5.102 0.943 650 HG2 LYS 86 HG2 LYS 86 5.306 -6.354 1.446 651 HG3 LYS 86 HG3 LYS 86 4.850 -7.054 -0.109 652 HD2 LYS 86 HD2 LYS 86 6.622 -6.102 -1.212 653 HD3 LYS 86 HD3 LYS 86 6.731 -4.746 -0.087 654 HE2 LYS 86 HE2 LYS 86 8.625 -6.018 0.391 655 HE3 LYS 86 HE3 LYS 86 7.473 -6.495 1.637 656 HZ1 LYS 86 HZ1 LYS 86 6.924 -8.292 -0.234 657 HZ2 LYS 86 HZ2 LYS 86 8.085 -8.543 0.970 658 HZ3 LYS 86 HZ3 LYS 86 8.563 -8.038 -0.572 659 H LEU 87 H LEU 87 1.999 -6.905 -2.049 660 HA LEU 87 HA LEU 87 -0.459 -5.534 -1.230 661 HB2 LEU 87 HB2 LEU 87 0.229 -6.798 -3.581 662 HB3 LEU 87 HB3 LEU 87 -0.751 -8.003 -2.768 663 HG LEU 87 HG LEU 87 -2.173 -6.719 -4.202 664 HD11 LEU 87 HD11 LEU 87 -3.810 -5.898 -2.634 665 HD12 LEU 87 HD12 LEU 87 -2.587 -5.779 -1.369 666 HD13 LEU 87 HD13 LEU 87 -3.062 -7.360 -1.991 667 HD21 LEU 87 HD21 LEU 87 -0.523 -4.710 -4.083 668 HD22 LEU 87 HD22 LEU 87 -1.548 -4.187 -2.746 669 HD23 LEU 87 HD23 LEU 87 -2.242 -4.418 -4.351 670 H TYR 88 H TYR 88 -1.719 -6.276 0.356 671 HA TYR 88 HA TYR 88 -1.314 -9.021 1.323 672 HB2 TYR 88 HB2 TYR 88 -0.950 -6.494 2.801 673 HB3 TYR 88 HB3 TYR 88 -1.894 -7.722 3.638 674 HD1 TYR 88 HD2 TYR 88 -0.852 -10.059 3.857 675 HD2 TYR 88 HD1 TYR 88 1.384 -6.598 2.797 676 HE1 TYR 88 HE2 TYR 88 1.219 -11.197 4.535 677 HE2 TYR 88 HE1 TYR 88 3.462 -7.728 3.469 678 HH TYR 88 HH TYR 88 3.467 -10.675 5.220 679 HA PRO 89 HA PRO 89 -5.797 -8.377 0.721 680 HB2 PRO 89 HB2 PRO 89 -6.358 -10.860 -0.130 681 HB3 PRO 89 HB3 PRO 89 -5.627 -9.656 -1.198 682 HG2 PRO 89 HG2 PRO 89 -4.331 -11.913 0.280 683 HG3 PRO 89 HG3 PRO 89 -4.058 -11.361 -1.382 684 HD2 PRO 89 HD2 PRO 89 -2.435 -10.709 0.728 685 HD3 PRO 89 HD3 PRO 89 -2.619 -9.705 -0.724 686 H ALA 90 H ALA 90 -7.449 -8.818 2.107 687 HA ALA 90 HA ALA 90 -6.836 -10.096 4.586 688 HB1 ALA 90 HB1 ALA 90 -8.868 -9.292 5.354 689 HB2 ALA 90 HB2 ALA 90 -9.617 -9.365 3.759 690 HB3 ALA 90 HB3 ALA 90 -8.430 -8.111 4.120 691 H GLY 91 H GLY 91 -7.235 -12.123 5.241 692 HA2 GLY 91 HA2 GLY 91 -8.466 -14.146 5.326 693 HA3 GLY 91 HA3 GLY 91 -9.151 -13.765 3.753 694 H ALA 92 H ALA 92 -6.662 -13.140 2.473 695 HA ALA 92 HA ALA 92 -5.514 -15.848 2.312 696 HB1 ALA 92 HB1 ALA 92 -4.798 -14.821 -0.040 697 HB2 ALA 92 HB2 ALA 92 -6.246 -13.855 0.248 698 HB3 ALA 92 HB3 ALA 92 -6.352 -15.615 0.216 699 H LYS 93 H LYS 93 -4.819 -12.944 3.594 700 HA LYS 93 HA LYS 93 -2.301 -12.222 2.668 701 HB2 LYS 93 HB2 LYS 93 -1.970 -11.265 4.978 702 HB3 LYS 93 HB3 LYS 93 -3.435 -10.752 4.156 703 HG2 LYS 93 HG2 LYS 93 -4.061 -11.182 6.376 704 HG3 LYS 93 HG3 LYS 93 -4.637 -12.567 5.447 705 HD2 LYS 93 HD2 LYS 93 -1.918 -12.865 6.502 706 HD3 LYS 93 HD3 LYS 93 -3.166 -12.718 7.740 707 HE2 LYS 93 HE2 LYS 93 -3.738 -14.543 5.485 708 HE3 LYS 93 HE3 LYS 93 -2.481 -15.051 6.612 709 HZ1 LYS 93 HZ1 LYS 93 -4.390 -15.918 7.539 710 HZ2 LYS 93 HZ2 LYS 93 -5.345 -14.586 7.122 711 HZ3 LYS 93 HZ3 LYS 93 -4.231 -14.463 8.389 712 H GLY 94 H GLY 94 -0.460 -12.318 4.659 713 HA2 GLY 94 HA2 GLY 94 0.696 -13.865 6.100 714 HA3 GLY 94 HA3 GLY 94 -0.072 -15.182 5.227 715 H GLN 95 H GLN 95 0.574 -13.519 2.693 716 HA GLN 95 HA GLN 95 3.433 -14.175 2.556 717 HB2 GLN 95 HB2 GLN 95 3.208 -15.207 0.434 718 HB3 GLN 95 HB3 GLN 95 1.967 -15.914 1.456 719 HG2 GLN 95 HG2 GLN 95 1.532 -13.747 -0.589 720 HG3 GLN 95 HG3 GLN 95 1.151 -15.454 -0.794 721 HE21 GLN 95 HE21 GLN 95 0.083 -12.448 0.359 722 HE22 GLN 95 HE22 GLN 95 -1.407 -12.975 1.057 723 HA PRO 96 HA PRO 96 3.511 -9.873 1.290 724 HB2 PRO 96 HB2 PRO 96 6.315 -10.490 0.596 725 HB3 PRO 96 HB3 PRO 96 5.672 -9.272 1.702 726 HG2 PRO 96 HG2 PRO 96 6.913 -11.470 2.604 727 HG3 PRO 96 HG3 PRO 96 5.542 -10.751 3.468 728 HD2 PRO 96 HD2 PRO 96 5.619 -13.166 1.706 729 HD3 PRO 96 HD3 PRO 96 4.720 -12.896 3.214 730 H VAL 97 H VAL 97 2.481 -9.535 -0.608 731 HA VAL 97 HA VAL 97 3.256 -10.921 -3.017 732 HB VAL 97 HB VAL 97 1.321 -8.617 -2.748 733 HG11 VAL 97 HG11 VAL 97 0.660 -9.016 -4.883 734 HG12 VAL 97 HG12 VAL 97 1.025 -10.739 -4.792 735 HG13 VAL 97 HG13 VAL 97 2.327 -9.573 -5.024 736 HG21 VAL 97 HG21 VAL 97 0.812 -10.580 -1.261 737 HG22 VAL 97 HG22 VAL 97 0.645 -11.551 -2.723 738 HG23 VAL 97 HG23 VAL 97 -0.438 -10.187 -2.442 739 H THR 98 H THR 98 5.138 -10.332 -3.912 740 HA THR 98 HA THR 98 5.960 -7.542 -3.909 741 HB THR 98 HB THR 98 7.890 -8.860 -5.323 742 HG1 THR 98 HG1 THR 98 7.006 -10.693 -3.357 743 HG21 THR 98 HG21 THR 98 8.140 -9.195 -2.415 744 HG22 THR 98 HG22 THR 98 7.835 -7.553 -2.980 745 HG23 THR 98 HG23 THR 98 9.234 -8.444 -3.577 746 H TYR 99 H TYR 99 5.607 -6.201 -5.536 747 HA TYR 99 HA TYR 99 4.395 -7.153 -7.974 748 HB2 TYR 99 HB2 TYR 99 4.906 -4.505 -6.719 749 HB3 TYR 99 HB3 TYR 99 4.724 -4.545 -8.469 750 HD1 TYR 99 HD2 TYR 99 2.969 -6.684 -5.995 751 HD2 TYR 99 HD1 TYR 99 2.665 -3.454 -8.747 752 HE1 TYR 99 HE2 TYR 99 0.525 -6.700 -5.731 753 HE2 TYR 99 HE1 TYR 99 0.217 -3.459 -8.489 754 HH TYR 99 HH TYR 99 -1.375 -5.387 -6.065 755 H SER 100 H SER 100 5.249 -5.719 -9.994 756 HA SER 100 HA SER 100 8.045 -6.548 -10.327 757 HB2 SER 100 HB2 SER 100 5.916 -5.924 -12.389 758 HB3 SER 100 HB3 SER 100 7.575 -6.388 -12.764 759 HG SER 100 HG SER 100 6.595 -8.292 -12.784 760 H GLY 101 H GLY 101 5.944 -3.792 -10.275 761 HA2 GLY 101 HA2 GLY 101 7.895 -1.899 -9.885 762 HA3 GLY 101 HA3 GLY 101 7.702 -1.990 -11.629 763 H SER 102 H SER 102 7.040 0.080 -9.490 764 HA SER 102 HA SER 102 4.155 0.332 -9.877 765 HB2 SER 102 HB2 SER 102 5.332 0.699 -7.624 766 HB3 SER 102 HB3 SER 102 5.897 2.224 -8.306 767 HG SER 102 HG SER 102 3.908 2.394 -7.119 768 H ARG 103 H ARG 103 3.187 2.069 -10.906 769 HA ARG 103 HA ARG 103 4.889 4.060 -12.188 770 HB2 ARG 103 HB2 ARG 103 4.398 1.923 -13.661 771 HB3 ARG 103 HB3 ARG 103 2.851 2.721 -13.913 772 HG2 ARG 103 HG2 ARG 103 3.912 3.677 -15.640 773 HG3 ARG 103 HG3 ARG 103 4.539 4.768 -14.402 774 HD2 ARG 103 1HD ARG 103 6.346 2.802 -14.206 775 HD3 ARG 103 2HD ARG 103 5.894 2.605 -15.899 776 HE ARG 103 HE ARG 103 6.374 5.308 -15.496 777 HH11 ARG 103 HH11 ARG 103 8.165 2.315 -15.352 778 HH12 ARG 103 HH12 ARG 103 9.673 3.052 -15.776 779 HH21 ARG 103 HH21 ARG 103 8.358 6.279 -16.054 780 HH22 ARG 103 HH22 ARG 103 9.783 5.302 -16.174 781 H THR 104 H THR 104 1.509 2.943 -12.457 782 HA THR 104 HA THR 104 0.661 5.658 -11.685 783 HB THR 104 HB THR 104 -1.004 3.885 -13.443 784 HG1 THR 104 HG1 THR 104 -0.019 4.835 -15.234 785 HG21 THR 104 HG21 THR 104 -2.272 5.716 -12.883 786 HG22 THR 104 HG22 THR 104 -1.523 6.240 -14.392 787 HG23 THR 104 HG23 THR 104 -0.883 6.802 -12.848 788 H VAL 105 H VAL 105 -1.478 5.782 -10.677 789 HA VAL 105 HA VAL 105 -1.757 3.776 -8.645 790 HB VAL 105 HB VAL 105 -3.735 5.179 -7.932 791 HG11 VAL 105 HG11 VAL 105 -1.518 7.097 -8.100 792 HG12 VAL 105 HG12 VAL 105 -1.078 5.502 -7.491 793 HG13 VAL 105 HG13 VAL 105 -2.343 6.433 -6.690 794 HG21 VAL 105 HG21 VAL 105 -4.197 7.238 -8.964 795 HG22 VAL 105 HG22 VAL 105 -4.058 6.087 -10.294 796 HG23 VAL 105 HG23 VAL 105 -2.722 7.181 -9.931 797 H GLU 106 H GLU 106 -3.348 4.537 -11.651 798 HA GLU 106 HA GLU 106 -5.751 3.111 -11.205 799 HB2 GLU 106 HB2 GLU 106 -6.038 3.217 -13.635 800 HB3 GLU 106 HB3 GLU 106 -5.529 4.771 -12.989 801 HG2 GLU 106 HG2 GLU 106 -3.138 3.885 -13.603 802 HG3 GLU 106 HG3 GLU 106 -4.045 2.849 -14.705 803 H ASP 107 H ASP 107 -2.570 2.164 -12.331 804 HA ASP 107 HA ASP 107 -3.341 -0.420 -13.261 805 HB2 ASP 107 HB2 ASP 107 -0.683 0.826 -12.579 806 HB3 ASP 107 HB3 ASP 107 -0.822 -0.853 -13.090 807 H LEU 108 H LEU 108 -2.196 0.876 -10.205 808 HA LEU 108 HA LEU 108 -1.759 -1.658 -8.969 809 HB2 LEU 108 HB2 LEU 108 -0.643 0.377 -8.196 810 HB3 LEU 108 HB3 LEU 108 -2.191 1.068 -7.748 811 HG LEU 108 HG LEU 108 -2.484 -0.663 -6.038 812 HD11 LEU 108 HD11 LEU 108 -0.434 -2.049 -5.482 813 HD12 LEU 108 HD12 LEU 108 0.155 -1.636 -7.092 814 HD13 LEU 108 HD13 LEU 108 -1.353 -2.533 -6.907 815 HD21 LEU 108 HD21 LEU 108 -0.651 0.060 -4.533 816 HD22 LEU 108 HD22 LEU 108 -1.449 1.398 -5.358 817 HD23 LEU 108 HD23 LEU 108 0.128 0.836 -5.912 818 H ILE 109 H ILE 109 -4.390 0.723 -8.831 819 HA ILE 109 HA ILE 109 -6.012 -0.564 -6.969 820 HB ILE 109 HB ILE 109 -6.456 1.704 -7.675 821 HG12 ILE 109 HG12 ILE 109 -8.333 0.041 -6.946 822 HG13 ILE 109 HG13 ILE 109 -8.776 1.626 -7.568 823 HG21 ILE 109 HG21 ILE 109 -7.127 0.509 -10.356 824 HG22 ILE 109 HG22 ILE 109 -5.792 1.593 -9.975 825 HG23 ILE 109 HG23 ILE 109 -7.453 2.178 -9.889 826 HD11 ILE 109 HD11 ILE 109 -8.596 -0.366 -9.669 827 HD12 ILE 109 HD12 ILE 109 -9.906 0.739 -9.259 828 HD13 ILE 109 HD13 ILE 109 -9.755 -0.802 -8.414 829 H LYS 110 H LYS 110 -5.743 -1.029 -10.459 830 HA LYS 110 HA LYS 110 -7.961 -2.735 -10.771 831 HB2 LYS 110 HB2 LYS 110 -6.773 -1.615 -12.640 832 HB3 LYS 110 HB3 LYS 110 -5.406 -2.691 -12.387 833 HG2 LYS 110 HG2 LYS 110 -6.428 -4.448 -13.370 834 HG3 LYS 110 HG3 LYS 110 -8.029 -3.982 -12.792 835 HD2 LYS 110 HD2 LYS 110 -7.802 -2.020 -14.460 836 HD3 LYS 110 HD3 LYS 110 -6.520 -2.992 -15.185 837 HE2 LYS 110 HE2 LYS 110 -8.402 -4.868 -15.017 838 HE3 LYS 110 HE3 LYS 110 -9.449 -3.452 -15.104 839 HZ1 LYS 110 HZ1 LYS 110 -7.684 -4.586 -17.129 840 HZ2 LYS 110 HZ2 LYS 110 -7.795 -2.899 -17.081 841 HZ3 LYS 110 HZ3 LYS 110 -9.189 -3.831 -17.303 842 H PHE 111 H PHE 111 -4.509 -3.469 -10.307 843 HA PHE 111 HA PHE 111 -4.717 -6.253 -10.341 844 HB2 PHE 111 HB2 PHE 111 -2.655 -4.514 -10.135 845 HB3 PHE 111 HB3 PHE 111 -2.737 -5.091 -8.474 846 HD1 PHE 111 HD1 PHE 111 -2.610 -6.334 -11.979 847 HD2 PHE 111 HD2 PHE 111 -1.664 -7.053 -7.892 848 HE1 PHE 111 HE1 PHE 111 -1.364 -8.355 -12.626 849 HE2 PHE 111 HE2 PHE 111 -0.415 -9.074 -8.532 850 HZ PHE 111 HZ PHE 111 -0.264 -9.727 -10.902 851 H ILE 112 H ILE 112 -4.871 -3.998 -7.598 852 HA ILE 112 HA ILE 112 -5.052 -5.789 -5.510 853 HB ILE 112 HB ILE 112 -6.553 -3.179 -5.766 854 HG12 ILE 112 HG12 ILE 112 -4.007 -3.499 -4.236 855 HG13 ILE 112 HG13 ILE 112 -3.919 -3.366 -5.989 856 HG21 ILE 112 HG21 ILE 112 -6.503 -3.176 -3.299 857 HG22 ILE 112 HG22 ILE 112 -5.822 -4.803 -3.333 858 HG23 ILE 112 HG23 ILE 112 -7.445 -4.513 -3.959 859 HD11 ILE 112 HD11 ILE 112 -3.888 -1.274 -4.286 860 HD12 ILE 112 HD12 ILE 112 -5.604 -1.355 -4.683 861 HD13 ILE 112 HD13 ILE 112 -4.409 -1.182 -5.968 862 H ALA 113 H ALA 113 -7.628 -4.656 -7.658 863 HA ALA 113 HA ALA 113 -9.740 -5.957 -6.288 864 HB1 ALA 113 HB1 ALA 113 -10.006 -5.523 -9.200 865 HB2 ALA 113 HB2 ALA 113 -9.686 -4.098 -8.211 866 HB3 ALA 113 HB3 ALA 113 -11.100 -5.100 -7.882 867 H GLU 114 H GLU 114 -7.439 -6.974 -8.702 868 HA GLU 114 HA GLU 114 -8.826 -9.367 -9.440 869 HB2 GLU 114 HB2 GLU 114 -6.159 -8.172 -9.998 870 HB3 GLU 114 HB3 GLU 114 -6.331 -9.907 -10.222 871 HG2 GLU 114 HG2 GLU 114 -8.488 -8.352 -11.421 872 HG3 GLU 114 HG3 GLU 114 -6.895 -7.996 -12.086 873 H ASN 115 H ASN 115 -5.954 -8.704 -7.441 874 HA ASN 115 HA ASN 115 -5.733 -11.409 -6.548 875 HB2 ASN 115 HB2 ASN 115 -4.116 -10.384 -4.866 876 HB3 ASN 115 HB3 ASN 115 -3.715 -10.169 -6.567 877 HD21 ASN 115 HD21 ASN 115 -3.125 -8.220 -7.126 878 HD22 ASN 115 HD22 ASN 115 -3.545 -6.750 -6.321 879 H GLY 116 H GLY 116 -6.981 -8.412 -5.122 880 HA2 GLY 116 HA2 GLY 116 -7.565 -9.397 -2.569 881 HA3 GLY 116 HA3 GLY 116 -8.389 -8.053 -3.345 882 H LYS 117 H LYS 117 -9.232 -10.485 -1.673 883 HA LYS 117 HA LYS 117 -10.966 -11.952 -3.447 884 HB2 LYS 117 HB2 LYS 117 -9.964 -13.038 -1.487 885 HB3 LYS 117 HB3 LYS 117 -10.815 -11.923 -0.427 886 HG2 LYS 117 HG2 LYS 117 -12.891 -12.884 -0.884 887 HG3 LYS 117 HG3 LYS 117 -12.296 -13.697 -2.333 888 HD2 LYS 117 HD2 LYS 117 -11.094 -15.286 -1.071 889 HD3 LYS 117 HD3 LYS 117 -11.247 -14.339 0.411 890 HE2 LYS 117 HE2 LYS 117 -13.616 -14.783 0.501 891 HE3 LYS 117 HE3 LYS 117 -13.556 -15.606 -1.057 892 HZ1 LYS 117 HZ1 LYS 117 -13.444 -16.882 1.258 893 HZ2 LYS 117 HZ2 LYS 117 -11.789 -16.630 1.017 894 HZ3 LYS 117 HZ3 LYS 117 -12.695 -17.463 -0.144 895 H TYR 118 H TYR 118 -11.297 -9.377 -1.062 896 HA TYR 118 HA TYR 118 -14.077 -9.267 -0.896 897 HB2 TYR 118 HB2 TYR 118 -11.853 -7.359 -0.404 898 HB3 TYR 118 HB3 TYR 118 -13.467 -6.675 -0.568 899 HD1 TYR 118 HD1 TYR 118 -15.323 -7.945 0.859 900 HD2 TYR 118 HD2 TYR 118 -11.153 -7.978 1.705 901 HE1 TYR 118 HE1 TYR 118 -15.808 -8.520 3.199 902 HE2 TYR 118 HE2 TYR 118 -11.627 -8.554 4.048 903 HH TYR 118 HH TYR 118 -14.190 -8.092 5.574 904 H LYS 119 H LYS 119 -11.907 -8.139 -3.377 905 HA LYS 119 HA LYS 119 -14.012 -6.648 -4.728 906 HB2 LYS 119 HB2 LYS 119 -11.191 -7.142 -5.675 907 HB3 LYS 119 HB3 LYS 119 -12.309 -5.911 -6.246 908 HG2 LYS 119 HG2 LYS 119 -11.660 -5.856 -3.368 909 HG3 LYS 119 HG3 LYS 119 -10.359 -5.428 -4.481 910 HD2 LYS 119 HD2 LYS 119 -12.919 -4.183 -5.140 911 HD3 LYS 119 HD3 LYS 119 -12.298 -3.721 -3.554 912 HE2 LYS 119 HE2 LYS 119 -10.747 -3.570 -6.137 913 HE3 LYS 119 HE3 LYS 119 -11.555 -2.208 -5.361 914 HZ1 LYS 119 HZ1 LYS 119 -9.720 -3.704 -3.683 915 HZ2 LYS 119 HZ2 LYS 119 -9.957 -2.034 -3.809 916 HZ3 LYS 119 HZ3 LYS 119 -9.004 -2.841 -4.950 917 H ALA 120 H ALA 120 -12.507 -9.753 -4.825 918 HA ALA 120 HA ALA 120 -13.797 -10.331 -7.408 919 HB1 ALA 120 HB1 ALA 120 -11.288 -10.663 -7.145 920 HB2 ALA 120 HB2 ALA 120 -12.209 -12.020 -7.793 921 HB3 ALA 120 HB3 ALA 120 -11.689 -12.032 -6.108 922 H ALA 121 H ALA 121 -13.960 -13.036 -7.334 923 HA ALA 121 HA ALA 121 -15.332 -13.836 -4.897 924 HB1 ALA 121 HB1 ALA 121 -16.785 -13.930 -7.534 925 HB2 ALA 121 HB2 ALA 121 -17.034 -12.681 -6.314 926 HB3 ALA 121 HB3 ALA 121 -17.414 -14.363 -5.944 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -11.160 21.851 5.564 2 H2 GLY 1 2H GLY 1 -11.729 23.075 6.584 3 H3 GLY 1 3H GLY 1 -12.209 21.473 6.837 4 HA2 GLY 1 HA3 GLY 1 -9.704 22.803 7.526 5 HA3 GLY 1 HA2 GLY 1 -10.611 21.596 8.424 6 HA PRO 2 HA PRO 2 -6.915 19.465 6.628 7 HB2 PRO 2 HB2 PRO 2 -6.412 17.941 8.817 8 HB3 PRO 2 HB3 PRO 2 -5.799 19.589 8.632 9 HG2 PRO 2 HG2 PRO 2 -8.178 18.613 10.166 10 HG3 PRO 2 HG3 PRO 2 -6.955 19.807 10.638 11 HD2 PRO 2 HD2 PRO 2 -9.401 20.513 9.714 12 HD3 PRO 2 HD3 PRO 2 -7.950 21.493 9.422 13 H LEU 3 H LEU 3 -6.879 17.475 5.678 14 HA LEU 3 HA LEU 3 -9.289 16.040 5.416 15 HB2 LEU 3 HB2 LEU 3 -6.475 15.651 4.527 16 HB3 LEU 3 HB3 LEU 3 -7.552 14.269 4.457 17 HG LEU 3 HG LEU 3 -7.385 15.519 2.317 18 HD11 LEU 3 HD11 LEU 3 -9.303 14.249 2.406 19 HD12 LEU 3 HD12 LEU 3 -9.960 15.863 2.139 20 HD13 LEU 3 HD13 LEU 3 -9.975 15.162 3.757 21 HD21 LEU 3 HD21 LEU 3 -7.930 17.710 2.078 22 HD22 LEU 3 HD22 LEU 3 -7.381 17.762 3.753 23 HD23 LEU 3 HD23 LEU 3 -9.106 17.677 3.392 24 H GLY 4 H GLY 4 -6.247 15.186 7.067 25 HA2 GLY 4 HA2 GLY 4 -6.805 14.231 9.389 26 HA3 GLY 4 HA3 GLY 4 -7.700 13.037 8.462 27 H SER 5 H SER 5 -4.983 13.390 10.133 28 HA SER 5 HA SER 5 -2.980 12.369 8.406 29 HB2 SER 5 HB2 SER 5 -1.638 12.111 10.363 30 HB3 SER 5 HB3 SER 5 -2.610 13.560 10.616 31 HG SER 5 HG SER 5 -2.856 11.021 11.798 32 H GLU 6 H GLU 6 -5.466 10.890 10.355 33 HA GLU 6 HA GLU 6 -4.374 8.223 9.851 34 HB2 GLU 6 HB2 GLU 6 -5.312 9.080 12.131 35 HB3 GLU 6 HB3 GLU 6 -6.881 8.747 11.409 36 HG2 GLU 6 HG2 GLU 6 -5.543 6.442 10.882 37 HG3 GLU 6 HG3 GLU 6 -4.845 6.912 12.431 38 H GLY 7 H GLY 7 -5.773 10.063 7.852 39 HA2 GLY 7 HA2 GLY 7 -8.067 8.357 7.171 40 HA3 GLY 7 HA3 GLY 7 -7.760 9.961 6.527 41 HA PRO 8 HA PRO 8 -6.611 7.732 2.808 42 HB2 PRO 8 HB2 PRO 8 -5.245 10.328 2.269 43 HB3 PRO 8 HB3 PRO 8 -6.329 9.391 1.234 44 HG2 PRO 8 HG2 PRO 8 -7.197 11.586 2.456 45 HG3 PRO 8 HG3 PRO 8 -8.236 10.155 2.316 46 HD2 PRO 8 HD2 PRO 8 -6.735 11.187 4.682 47 HD3 PRO 8 HD3 PRO 8 -8.324 10.399 4.608 48 H VAL 9 H VAL 9 -4.159 10.010 4.059 49 HA VAL 9 HA VAL 9 -2.004 8.269 3.293 50 HB VAL 9 HB VAL 9 -1.842 10.706 5.065 51 HG11 VAL 9 HG11 VAL 9 0.334 9.985 3.215 52 HG12 VAL 9 HG12 VAL 9 0.079 8.882 4.567 53 HG13 VAL 9 HG13 VAL 9 0.401 10.589 4.871 54 HG21 VAL 9 HG21 VAL 9 -1.799 10.499 2.059 55 HG22 VAL 9 HG22 VAL 9 -1.258 11.917 2.957 56 HG23 VAL 9 HG23 VAL 9 -2.940 11.398 3.058 57 H THR 10 H THR 10 -1.110 6.703 4.463 58 HA THR 10 HA THR 10 -1.494 6.722 7.380 59 HB THR 10 HB THR 10 -1.651 4.278 5.605 60 HG1 THR 10 HG1 THR 10 -3.648 5.833 6.861 61 HG21 THR 10 HG21 THR 10 -0.861 4.105 8.081 62 HG22 THR 10 HG22 THR 10 -2.063 2.982 7.444 63 HG23 THR 10 HG23 THR 10 -2.571 4.352 8.433 64 H VAL 11 H VAL 11 0.261 6.243 8.579 65 HA VAL 11 HA VAL 11 2.789 5.925 7.177 66 HB VAL 11 HB VAL 11 2.333 6.241 10.146 67 HG11 VAL 11 HG11 VAL 11 4.566 6.357 10.401 68 HG12 VAL 11 HG12 VAL 11 4.801 7.214 8.877 69 HG13 VAL 11 HG13 VAL 11 4.595 5.463 8.882 70 HG21 VAL 11 HG21 VAL 11 1.630 8.098 8.287 71 HG22 VAL 11 HG22 VAL 11 3.302 8.551 8.616 72 HG23 VAL 11 HG23 VAL 11 2.134 8.470 9.935 73 H VAL 12 H VAL 12 4.117 4.174 7.304 74 HA VAL 12 HA VAL 12 3.140 1.859 8.849 75 HB VAL 12 HB VAL 12 4.602 1.617 6.228 76 HG11 VAL 12 HG11 VAL 12 3.197 -0.246 8.090 77 HG12 VAL 12 HG12 VAL 12 4.773 -0.408 7.317 78 HG13 VAL 12 HG13 VAL 12 3.301 -0.633 6.373 79 HG21 VAL 12 HG21 VAL 12 2.528 2.816 5.794 80 HG22 VAL 12 HG22 VAL 12 1.618 1.592 6.681 81 HG23 VAL 12 HG23 VAL 12 2.430 1.168 5.174 82 H VAL 13 H VAL 13 4.528 1.987 10.560 83 HA VAL 13 HA VAL 13 7.400 2.224 10.043 84 HB VAL 13 HB VAL 13 6.180 2.003 12.780 85 HG11 VAL 13 HG11 VAL 13 8.410 2.028 13.145 86 HG12 VAL 13 HG12 VAL 13 8.190 3.770 12.984 87 HG13 VAL 13 HG13 VAL 13 8.763 2.823 11.611 88 HG21 VAL 13 HG21 VAL 13 4.954 3.754 11.501 89 HG22 VAL 13 HG22 VAL 13 6.490 4.584 11.252 90 HG23 VAL 13 HG23 VAL 13 5.854 4.378 12.884 91 H ALA 14 H ALA 14 8.843 0.767 11.378 92 HA ALA 14 HA ALA 14 8.505 -1.886 10.676 93 HB1 ALA 14 HB1 ALA 14 10.061 -1.193 13.130 94 HB2 ALA 14 HB2 ALA 14 10.588 -0.596 11.556 95 HB3 ALA 14 HB3 ALA 14 10.446 -2.331 11.839 96 H LYS 15 H LYS 15 7.588 -0.246 13.665 97 HA LYS 15 HA LYS 15 6.631 -2.706 14.863 98 HB2 LYS 15 HB2 LYS 15 7.146 0.049 15.758 99 HB3 LYS 15 HB3 LYS 15 5.755 -0.717 16.514 100 HG2 LYS 15 HG2 LYS 15 7.047 -2.388 17.486 101 HG3 LYS 15 HG3 LYS 15 8.397 -2.117 16.383 102 HD2 LYS 15 HD2 LYS 15 7.623 0.181 18.064 103 HD3 LYS 15 HD3 LYS 15 8.320 -1.197 18.917 104 HE2 LYS 15 HE2 LYS 15 10.261 -0.160 18.401 105 HE3 LYS 15 HE3 LYS 15 10.049 -1.019 16.877 106 HZ1 LYS 15 HZ1 LYS 15 10.312 1.034 16.032 107 HZ2 LYS 15 HZ2 LYS 15 9.830 1.818 17.451 108 HZ3 LYS 15 HZ3 LYS 15 8.667 1.200 16.390 109 H ASN 16 H ASN 16 5.368 -0.427 12.725 110 HA ASN 16 HA ASN 16 2.617 -0.847 13.646 111 HB2 ASN 16 HB2 ASN 16 3.865 1.428 12.755 112 HB3 ASN 16 HB3 ASN 16 3.020 0.884 11.310 113 HD21 ASN 16 HD21 ASN 16 0.703 0.332 11.621 114 HD22 ASN 16 HD22 ASN 16 -0.220 1.335 12.682 115 H TYR 17 H TYR 17 4.599 -1.084 10.710 116 HA TYR 17 HA TYR 17 2.777 -2.013 8.905 117 HB2 TYR 17 HB2 TYR 17 4.572 -2.365 7.599 118 HB3 TYR 17 HB3 TYR 17 5.509 -1.744 8.950 119 HD1 TYR 17 HD2 TYR 17 4.285 -4.851 7.353 120 HD2 TYR 17 HD1 TYR 17 7.053 -3.131 10.087 121 HE1 TYR 17 HE2 TYR 17 5.484 -6.993 7.471 122 HE2 TYR 17 HE1 TYR 17 8.268 -5.268 10.209 123 HH TYR 17 HH TYR 17 7.097 -8.098 9.394 124 H ASN 18 H ASN 18 4.636 -4.036 11.174 125 HA ASN 18 HA ASN 18 3.687 -6.511 10.428 126 HB2 ASN 18 HB2 ASN 18 4.429 -7.323 12.518 127 HB3 ASN 18 HB3 ASN 18 5.468 -5.947 12.165 128 HD21 ASN 18 HD21 ASN 18 4.133 -3.801 12.943 129 HD22 ASN 18 HD22 ASN 18 3.726 -3.874 14.615 130 H GLU 19 H GLU 19 2.078 -4.057 12.344 131 HA GLU 19 HA GLU 19 -0.025 -5.767 13.256 132 HB2 GLU 19 HB2 GLU 19 0.873 -3.425 14.140 133 HB3 GLU 19 HB3 GLU 19 -0.415 -2.821 13.106 134 HG2 GLU 19 HG2 GLU 19 -2.076 -3.837 14.364 135 HG3 GLU 19 HG3 GLU 19 -0.954 -4.978 15.103 136 H ILE 20 H ILE 20 -0.051 -3.039 10.948 137 HA ILE 20 HA ILE 20 -2.650 -3.389 10.034 138 HB ILE 20 HB ILE 20 -1.933 -2.165 7.989 139 HG12 ILE 20 HG12 ILE 20 0.800 -2.438 9.265 140 HG13 ILE 20 HG13 ILE 20 0.300 -3.027 7.683 141 HG21 ILE 20 HG21 ILE 20 -1.680 -0.124 9.086 142 HG22 ILE 20 HG22 ILE 20 -0.761 -0.841 10.409 143 HG23 ILE 20 HG23 ILE 20 -2.493 -1.143 10.274 144 HD11 ILE 20 HD11 ILE 20 1.101 -0.327 8.534 145 HD12 ILE 20 HD12 ILE 20 -0.219 -0.421 7.369 146 HD13 ILE 20 HD13 ILE 20 1.339 -1.157 6.997 147 H VAL 21 H VAL 21 0.348 -4.705 8.669 148 HA VAL 21 HA VAL 21 -0.805 -6.018 6.475 149 HB VAL 21 HB VAL 21 1.269 -7.290 6.335 150 HG11 VAL 21 HG11 VAL 21 1.221 -4.943 5.579 151 HG12 VAL 21 HG12 VAL 21 2.820 -5.442 6.131 152 HG13 VAL 21 HG13 VAL 21 1.803 -4.438 7.166 153 HG21 VAL 21 HG21 VAL 21 1.504 -6.488 9.176 154 HG22 VAL 21 HG22 VAL 21 2.991 -6.536 8.229 155 HG23 VAL 21 HG23 VAL 21 1.990 -7.981 8.374 156 H LEU 22 H LEU 22 -0.233 -7.081 9.798 157 HA LEU 22 HA LEU 22 -1.034 -9.786 9.276 158 HB2 LEU 22 HB2 LEU 22 -0.511 -8.233 11.799 159 HB3 LEU 22 HB3 LEU 22 -1.074 -9.894 11.825 160 HG LEU 22 HG LEU 22 1.492 -8.969 10.526 161 HD11 LEU 22 HD11 LEU 22 2.276 -10.550 12.542 162 HD12 LEU 22 HD12 LEU 22 0.830 -9.846 13.266 163 HD13 LEU 22 HD13 LEU 22 2.126 -8.799 12.687 164 HD21 LEU 22 HD21 LEU 22 0.592 -10.943 9.459 165 HD22 LEU 22 HD22 LEU 22 0.364 -11.721 11.025 166 HD23 LEU 22 HD23 LEU 22 1.992 -11.381 10.437 167 H ASP 23 H ASP 23 -2.748 -6.910 9.653 168 HA ASP 23 HA ASP 23 -4.972 -7.671 11.161 169 HB2 ASP 23 HB2 ASP 23 -4.219 -5.381 9.933 170 HB3 ASP 23 HB3 ASP 23 -5.483 -5.918 8.831 171 H ASP 24 H ASP 24 -5.998 -9.544 10.794 172 HA ASP 24 HA ASP 24 -6.436 -10.557 8.138 173 HB2 ASP 24 HB2 ASP 24 -7.486 -11.543 10.798 174 HB3 ASP 24 HB3 ASP 24 -7.580 -12.416 9.271 175 H THR 25 H THR 25 -8.158 -8.525 10.308 176 HA THR 25 HA THR 25 -10.705 -9.016 8.966 177 HB THR 25 HB THR 25 -10.757 -8.858 11.395 178 HG1 THR 25 HG1 THR 25 -12.629 -8.065 10.858 179 HG21 THR 25 HG21 THR 25 -10.485 -6.335 12.199 180 HG22 THR 25 HG22 THR 25 -9.256 -6.361 10.935 181 HG23 THR 25 HG23 THR 25 -9.174 -7.512 12.269 182 H LYS 26 H LYS 26 -8.313 -7.613 7.742 183 HA LYS 26 HA LYS 26 -9.723 -5.703 6.253 184 HB2 LYS 26 HB2 LYS 26 -8.550 -4.728 8.736 185 HB3 LYS 26 HB3 LYS 26 -7.939 -3.867 7.330 186 HG2 LYS 26 HG2 LYS 26 -10.861 -4.274 7.464 187 HG3 LYS 26 HG3 LYS 26 -10.155 -3.156 8.633 188 HD2 LYS 26 HD2 LYS 26 -8.911 -2.377 6.350 189 HD3 LYS 26 HD3 LYS 26 -10.475 -2.901 5.720 190 HE2 LYS 26 HE2 LYS 26 -11.644 -1.374 7.104 191 HE3 LYS 26 HE3 LYS 26 -10.203 -1.029 8.059 192 HZ1 LYS 26 HZ1 LYS 26 -10.269 -0.435 5.171 193 HZ2 LYS 26 HZ2 LYS 26 -9.294 0.246 6.373 194 HZ3 LYS 26 HZ3 LYS 26 -10.934 0.650 6.286 195 H ASP 27 H ASP 27 -8.632 -5.195 4.420 196 HA ASP 27 HA ASP 27 -6.068 -6.476 4.017 197 HB2 ASP 27 HB2 ASP 27 -8.198 -6.163 2.387 198 HB3 ASP 27 HB3 ASP 27 -7.228 -4.784 1.876 199 H VAL 28 H VAL 28 -4.128 -5.475 3.649 200 HA VAL 28 HA VAL 28 -4.079 -2.537 3.742 201 HB VAL 28 HB VAL 28 -2.128 -4.251 5.276 202 HG11 VAL 28 HG11 VAL 28 -2.595 -1.448 6.019 203 HG12 VAL 28 HG12 VAL 28 -1.862 -1.685 4.433 204 HG13 VAL 28 HG13 VAL 28 -1.087 -2.349 5.870 205 HG21 VAL 28 HG21 VAL 28 -4.140 -4.623 6.412 206 HG22 VAL 28 HG22 VAL 28 -4.700 -2.972 6.149 207 HG23 VAL 28 HG23 VAL 28 -3.391 -3.289 7.287 208 H LEU 29 H LEU 29 -2.508 -1.547 2.546 209 HA LEU 29 HA LEU 29 -0.652 -3.288 1.063 210 HB2 LEU 29 HB2 LEU 29 -1.564 -0.870 -0.344 211 HB3 LEU 29 HB3 LEU 29 -1.270 -2.485 -0.957 212 HG LEU 29 HG LEU 29 -3.725 -1.826 0.653 213 HD11 LEU 29 HD11 LEU 29 -3.078 -1.102 -2.110 214 HD12 LEU 29 HD12 LEU 29 -4.321 -0.473 -1.028 215 HD13 LEU 29 HD13 LEU 29 -4.601 -1.971 -1.915 216 HD21 LEU 29 HD21 LEU 29 -4.549 -3.857 -0.072 217 HD22 LEU 29 HD22 LEU 29 -2.839 -4.218 0.159 218 HD23 LEU 29 HD23 LEU 29 -3.466 -3.920 -1.462 219 H ILE 30 H ILE 30 1.385 -2.744 1.469 220 HA ILE 30 HA ILE 30 1.969 0.048 2.211 221 HB ILE 30 HB ILE 30 2.466 -1.527 4.007 222 HG12 ILE 30 HG12 ILE 30 4.915 -0.377 2.651 223 HG13 ILE 30 HG13 ILE 30 3.894 0.425 3.840 224 HG21 ILE 30 HG21 ILE 30 2.849 -3.493 2.544 225 HG22 ILE 30 HG22 ILE 30 4.084 -3.287 3.786 226 HG23 ILE 30 HG23 ILE 30 4.423 -2.823 2.119 227 HD11 ILE 30 HD11 ILE 30 5.405 -0.248 5.327 228 HD12 ILE 30 HD12 ILE 30 6.110 -1.418 4.212 229 HD13 ILE 30 HD13 ILE 30 4.683 -1.848 5.154 230 H GLU 31 H GLU 31 3.121 1.212 0.826 231 HA GLU 31 HA GLU 31 4.709 -0.207 -1.211 232 HB2 GLU 31 HB2 GLU 31 2.746 1.193 -1.981 233 HB3 GLU 31 HB3 GLU 31 3.632 2.605 -1.421 234 HG2 GLU 31 HG2 GLU 31 4.657 2.707 -3.372 235 HG3 GLU 31 HG3 GLU 31 5.398 1.141 -3.048 236 H PHE 32 H PHE 32 6.833 0.170 -1.364 237 HA PHE 32 HA PHE 32 8.004 2.120 0.489 238 HB2 PHE 32 HB2 PHE 32 9.001 -0.422 -0.751 239 HB3 PHE 32 HB3 PHE 32 10.151 0.778 -0.172 240 HD1 PHE 32 HD1 PHE 32 9.689 1.645 2.274 241 HD2 PHE 32 HD2 PHE 32 8.294 -2.053 0.698 242 HE1 PHE 32 HE1 PHE 32 9.457 0.762 4.560 243 HE2 PHE 32 HE2 PHE 32 8.059 -2.942 2.980 244 HZ PHE 32 HZ PHE 32 8.640 -1.534 4.914 245 H TYR 33 H TYR 33 9.026 3.884 -0.231 246 HA TYR 33 HA TYR 33 10.168 3.960 -2.895 247 HB2 TYR 33 HB2 TYR 33 8.915 5.907 -3.628 248 HB3 TYR 33 HB3 TYR 33 7.800 4.598 -3.249 249 HD1 TYR 33 HD2 TYR 33 6.500 4.681 -1.111 250 HD2 TYR 33 HD1 TYR 33 8.819 7.976 -2.476 251 HE1 TYR 33 HE2 TYR 33 5.264 6.171 0.405 252 HE2 TYR 33 HE1 TYR 33 7.591 9.475 -0.964 253 HH TYR 33 HH TYR 33 6.277 9.354 1.084 254 H ALA 34 H ALA 34 11.107 6.256 -3.290 255 HA ALA 34 HA ALA 34 11.969 7.534 -0.809 256 HB1 ALA 34 HB1 ALA 34 14.351 7.516 -1.998 257 HB2 ALA 34 HB2 ALA 34 13.719 6.002 -2.646 258 HB3 ALA 34 HB3 ALA 34 13.832 6.235 -0.901 259 HA PRO 35 HA PRO 35 11.438 11.186 -3.241 260 HB2 PRO 35 HB2 PRO 35 13.055 12.906 -1.890 261 HB3 PRO 35 HB3 PRO 35 11.479 12.385 -1.285 262 HG2 PRO 35 HG2 PRO 35 14.208 11.388 -0.568 263 HG3 PRO 35 HG3 PRO 35 12.828 11.730 0.491 264 HD2 PRO 35 HD2 PRO 35 13.478 9.220 -0.281 265 HD3 PRO 35 HD3 PRO 35 11.800 9.722 0.010 266 H TRP 36 H TRP 36 14.788 10.398 -2.345 267 HA TRP 36 HA TRP 36 15.881 11.831 -4.589 268 HB2 TRP 36 HB2 TRP 36 18.043 10.844 -3.825 269 HB3 TRP 36 HB3 TRP 36 17.186 11.728 -2.565 270 HD1 TRP 36 HD1 TRP 36 17.912 8.095 -3.658 271 HE1 TRP 36 HE1 TRP 36 17.763 6.588 -1.577 272 HE3 TRP 36 HE3 TRP 36 16.306 11.560 -0.258 273 HZ2 TRP 36 HZ2 TRP 36 17.057 6.835 1.145 274 HZ3 TRP 36 HZ3 TRP 36 15.917 10.842 2.063 275 HH2 TRP 36 HH2 TRP 36 16.285 8.528 2.748 276 H CYS 37 H CYS 37 14.304 8.932 -4.371 277 HA CYS 37 HA CYS 37 15.813 7.102 -5.794 278 HB2 CYS 37 HB2 CYS 37 13.748 6.399 -4.811 279 HB3 CYS 37 HB3 CYS 37 12.829 7.572 -5.750 280 H GLY 38 H GLY 38 13.582 9.564 -7.069 281 HA2 GLY 38 HA2 GLY 38 13.956 10.780 -9.071 282 HA3 GLY 38 HA3 GLY 38 15.085 9.533 -9.586 283 H HIS 39 H HIS 39 13.519 7.277 -9.143 284 HA HIS 39 HA HIS 39 11.497 7.586 -11.251 285 HB2 HIS 39 HB2 HIS 39 13.553 5.658 -10.793 286 HB3 HIS 39 HB3 HIS 39 12.000 4.838 -10.667 287 HD1 HIS 39 HD1 HIS 39 10.386 5.163 -12.819 288 HD2 HIS 39 HD2 HIS 39 14.398 6.108 -13.341 289 HE1 HIS 39 HE1 HIS 39 10.750 5.196 -15.307 290 HE2 HIS 39 HE2 HIS 39 13.168 5.839 -15.600 291 H CYS 40 H CYS 40 11.696 7.471 -7.971 292 HA CYS 40 HA CYS 40 9.170 5.996 -7.667 293 HB2 CYS 40 HB2 CYS 40 11.062 6.756 -5.445 294 HB3 CYS 40 HB3 CYS 40 9.748 5.587 -5.395 295 H LYS 41 H LYS 41 10.684 9.083 -7.392 296 HA LYS 41 HA LYS 41 9.185 10.424 -5.530 297 HB2 LYS 41 HB2 LYS 41 11.052 11.161 -7.337 298 HB3 LYS 41 HB3 LYS 41 9.623 11.882 -8.067 299 HG2 LYS 41 HG2 LYS 41 9.319 12.675 -5.503 300 HG3 LYS 41 HG3 LYS 41 11.079 12.619 -5.625 301 HD2 LYS 41 HD2 LYS 41 10.726 13.931 -7.830 302 HD3 LYS 41 HD3 LYS 41 9.127 14.285 -7.172 303 HE2 LYS 41 HE2 LYS 41 10.788 14.818 -5.051 304 HE3 LYS 41 HE3 LYS 41 11.742 15.353 -6.433 305 HZ1 LYS 41 HZ1 LYS 41 9.269 16.436 -5.354 306 HZ2 LYS 41 HZ2 LYS 41 9.392 16.415 -7.041 307 HZ3 LYS 41 HZ3 LYS 41 10.555 17.226 -6.119 308 H ALA 42 H ALA 42 8.174 9.263 -8.646 309 HA ALA 42 HA ALA 42 5.793 10.862 -8.787 310 HB1 ALA 42 HB1 ALA 42 5.288 8.888 -10.528 311 HB2 ALA 42 HB2 ALA 42 7.041 8.732 -10.410 312 HB3 ALA 42 HB3 ALA 42 6.324 10.265 -10.905 313 H LEU 43 H LEU 43 6.674 7.753 -7.484 314 HA LEU 43 HA LEU 43 4.100 6.628 -7.264 315 HB2 LEU 43 HB2 LEU 43 6.721 5.887 -6.616 316 HB3 LEU 43 HB3 LEU 43 5.853 5.855 -5.094 317 HG LEU 43 HG LEU 43 5.857 3.661 -6.171 318 HD11 LEU 43 HD11 LEU 43 4.007 3.965 -4.786 319 HD12 LEU 43 HD12 LEU 43 3.315 3.390 -6.303 320 HD13 LEU 43 HD13 LEU 43 3.245 5.105 -5.896 321 HD21 LEU 43 HD21 LEU 43 5.070 5.252 -8.488 322 HD22 LEU 43 HD22 LEU 43 4.081 3.811 -8.253 323 HD23 LEU 43 HD23 LEU 43 5.832 3.664 -8.407 324 H ALA 44 H ALA 44 5.850 8.924 -5.302 325 HA ALA 44 HA ALA 44 4.391 8.746 -2.926 326 HB1 ALA 44 HB1 ALA 44 6.434 10.368 -3.946 327 HB2 ALA 44 HB2 ALA 44 5.821 10.319 -2.293 328 HB3 ALA 44 HB3 ALA 44 5.146 11.466 -3.450 329 HA PRO 45 HA PRO 45 1.520 12.319 -4.529 330 HB2 PRO 45 HB2 PRO 45 1.576 12.747 -7.242 331 HB3 PRO 45 HB3 PRO 45 2.501 13.690 -6.069 332 HG2 PRO 45 HG2 PRO 45 3.384 11.405 -7.784 333 HG3 PRO 45 HG3 PRO 45 4.237 12.911 -7.396 334 HD2 PRO 45 HD2 PRO 45 4.836 10.593 -6.178 335 HD3 PRO 45 HD3 PRO 45 4.904 12.143 -5.315 336 H LYS 46 H LYS 46 2.164 9.671 -6.794 337 HA LYS 46 HA LYS 46 -0.481 9.359 -7.713 338 HB2 LYS 46 HB2 LYS 46 2.025 7.814 -7.821 339 HB3 LYS 46 HB3 LYS 46 0.561 6.846 -7.926 340 HG2 LYS 46 HG2 LYS 46 0.036 7.616 -9.976 341 HG3 LYS 46 HG3 LYS 46 0.636 9.241 -9.638 342 HD2 LYS 46 HD2 LYS 46 2.959 7.905 -9.625 343 HD3 LYS 46 HD3 LYS 46 2.045 6.878 -10.732 344 HE2 LYS 46 HE2 LYS 46 3.062 8.436 -12.135 345 HE3 LYS 46 HE3 LYS 46 1.427 9.063 -11.929 346 HZ1 LYS 46 HZ1 LYS 46 2.154 10.766 -10.587 347 HZ2 LYS 46 HZ2 LYS 46 3.438 10.642 -11.681 348 HZ3 LYS 46 HZ3 LYS 46 3.578 9.969 -10.136 349 H TYR 47 H TYR 47 1.154 8.271 -4.835 350 HA TYR 47 HA TYR 47 -0.906 6.377 -4.124 351 HB2 TYR 47 HB2 TYR 47 1.761 6.861 -3.324 352 HB3 TYR 47 HB3 TYR 47 0.762 7.098 -1.895 353 HD1 TYR 47 HD2 TYR 47 1.472 4.673 -4.624 354 HD2 TYR 47 HD1 TYR 47 -0.026 5.257 -0.685 355 HE1 TYR 47 HE2 TYR 47 1.347 2.236 -4.317 356 HE2 TYR 47 HE1 TYR 47 -0.155 2.822 -0.367 357 HH TYR 47 HH TYR 47 0.089 0.619 -2.909 358 H GLU 48 H GLU 48 -0.221 9.729 -3.586 359 HA GLU 48 HA GLU 48 -1.865 10.044 -1.271 360 HB2 GLU 48 HB2 GLU 48 0.007 11.588 -1.987 361 HB3 GLU 48 HB3 GLU 48 -1.071 12.192 -3.238 362 HG2 GLU 48 HG2 GLU 48 -2.700 12.713 -1.354 363 HG3 GLU 48 HG3 GLU 48 -1.342 12.440 -0.263 364 H GLU 49 H GLU 49 -2.353 10.329 -4.740 365 HA GLU 49 HA GLU 49 -4.968 11.465 -4.552 366 HB2 GLU 49 HB2 GLU 49 -3.427 11.650 -6.540 367 HB3 GLU 49 HB3 GLU 49 -3.788 9.966 -6.893 368 HG2 GLU 49 HG2 GLU 49 -6.268 10.800 -6.808 369 HG3 GLU 49 HG3 GLU 49 -5.527 12.369 -7.122 370 H LEU 50 H LEU 50 -3.828 8.223 -5.519 371 HA LEU 50 HA LEU 50 -6.364 7.036 -5.638 372 HB2 LEU 50 HB2 LEU 50 -4.546 5.929 -6.684 373 HB3 LEU 50 HB3 LEU 50 -3.610 5.902 -5.202 374 HG LEU 50 HG LEU 50 -5.211 4.281 -4.240 375 HD11 LEU 50 HD11 LEU 50 -6.603 4.829 -6.792 376 HD12 LEU 50 HD12 LEU 50 -7.256 4.449 -5.198 377 HD13 LEU 50 HD13 LEU 50 -6.609 3.162 -6.216 378 HD21 LEU 50 HD21 LEU 50 -3.164 3.802 -5.930 379 HD22 LEU 50 HD22 LEU 50 -4.478 2.992 -6.784 380 HD23 LEU 50 HD23 LEU 50 -4.092 2.537 -5.124 381 H GLY 51 H GLY 51 -4.249 7.703 -2.951 382 HA2 GLY 51 HA2 GLY 51 -5.376 5.911 -1.077 383 HA3 GLY 51 HA3 GLY 51 -4.471 7.367 -0.690 384 H ALA 52 H ALA 52 -6.004 9.375 -1.633 385 HA ALA 52 HA ALA 52 -8.079 9.519 0.306 386 HB1 ALA 52 HB1 ALA 52 -7.021 11.551 -0.171 387 HB2 ALA 52 HB2 ALA 52 -8.607 11.698 -0.927 388 HB3 ALA 52 HB3 ALA 52 -7.191 11.334 -1.913 389 H LEU 53 H LEU 53 -7.971 8.732 -3.090 390 HA LEU 53 HA LEU 53 -10.752 9.041 -3.604 391 HB2 LEU 53 HB2 LEU 53 -8.419 7.875 -5.011 392 HB3 LEU 53 HB3 LEU 53 -9.997 7.274 -5.487 393 HG LEU 53 HG LEU 53 -9.648 10.223 -5.358 394 HD11 LEU 53 HD11 LEU 53 -8.738 8.761 -7.802 395 HD12 LEU 53 HD12 LEU 53 -7.604 9.119 -6.499 396 HD13 LEU 53 HD13 LEU 53 -8.445 10.433 -7.323 397 HD21 LEU 53 HD21 LEU 53 -11.425 10.246 -6.749 398 HD22 LEU 53 HD22 LEU 53 -11.680 8.626 -6.100 399 HD23 LEU 53 HD23 LEU 53 -10.873 8.836 -7.653 400 H TYR 54 H TYR 54 -8.813 6.050 -3.439 401 HA TYR 54 HA TYR 54 -10.973 4.297 -3.260 402 HB2 TYR 54 HB2 TYR 54 -8.224 4.050 -3.377 403 HB3 TYR 54 HB3 TYR 54 -8.609 3.398 -1.788 404 HD1 TYR 54 HD2 TYR 54 -10.596 3.218 -4.932 405 HD2 TYR 54 HD1 TYR 54 -8.321 1.095 -2.031 406 HE1 TYR 54 HE2 TYR 54 -11.263 1.093 -5.973 407 HE2 TYR 54 HE1 TYR 54 -8.981 -1.036 -3.065 408 HH TYR 54 HH TYR 54 -11.472 -1.272 -5.363 409 H ALA 55 H ALA 55 -9.352 6.169 -0.799 410 HA ALA 55 HA ALA 55 -10.404 4.775 1.445 411 HB1 ALA 55 HB1 ALA 55 -9.700 6.779 2.722 412 HB2 ALA 55 HB2 ALA 55 -9.306 7.572 1.197 413 HB3 ALA 55 HB3 ALA 55 -8.426 6.126 1.692 414 H LYS 56 H LYS 56 -11.529 7.445 -0.529 415 HA LYS 56 HA LYS 56 -13.856 7.812 1.210 416 HB2 LYS 56 HB2 LYS 56 -12.305 9.654 -0.049 417 HB3 LYS 56 HB3 LYS 56 -13.600 9.463 -1.223 418 HG2 LYS 56 HG2 LYS 56 -14.627 11.035 -0.011 419 HG3 LYS 56 HG3 LYS 56 -15.016 9.701 1.077 420 HD2 LYS 56 HD2 LYS 56 -12.538 10.380 1.950 421 HD3 LYS 56 HD3 LYS 56 -13.152 11.949 1.426 422 HE2 LYS 56 HE2 LYS 56 -13.870 11.887 3.612 423 HE3 LYS 56 HE3 LYS 56 -15.277 11.248 2.763 424 HZ1 LYS 56 HZ1 LYS 56 -14.565 9.016 3.306 425 HZ2 LYS 56 HZ2 LYS 56 -14.709 9.932 4.721 426 HZ3 LYS 56 HZ3 LYS 56 -13.179 9.606 4.077 427 H SER 57 H SER 57 -13.631 5.398 -0.293 428 HA SER 57 HA SER 57 -15.847 5.739 -2.207 429 HB2 SER 57 HB2 SER 57 -13.791 5.027 -3.333 430 HB3 SER 57 HB3 SER 57 -13.650 3.655 -2.234 431 HG SER 57 HG SER 57 -15.690 4.127 -4.146 432 H GLU 58 H GLU 58 -16.780 3.301 -2.564 433 HA GLU 58 HA GLU 58 -18.219 2.753 -0.192 434 HB2 GLU 58 HB2 GLU 58 -17.955 1.253 -2.796 435 HB3 GLU 58 HB3 GLU 58 -19.008 0.719 -1.493 436 HG2 GLU 58 HG2 GLU 58 -19.372 3.519 -2.249 437 HG3 GLU 58 HG3 GLU 58 -19.733 2.366 -3.533 438 H PHE 59 H PHE 59 -15.291 1.455 -1.553 439 HA PHE 59 HA PHE 59 -15.256 -0.733 0.387 440 HB2 PHE 59 HB2 PHE 59 -13.178 -0.153 -1.723 441 HB3 PHE 59 HB3 PHE 59 -13.464 -1.669 -0.874 442 HD1 PHE 59 HD1 PHE 59 -16.307 -2.078 -1.103 443 HD2 PHE 59 HD2 PHE 59 -13.571 -0.509 -3.960 444 HE1 PHE 59 HE1 PHE 59 -17.789 -2.818 -2.922 445 HE2 PHE 59 HE2 PHE 59 -15.048 -1.245 -5.785 446 HZ PHE 59 HZ PHE 59 -17.161 -2.401 -5.267 447 H LYS 60 H LYS 60 -15.051 1.888 1.420 448 HA LYS 60 HA LYS 60 -12.338 2.606 1.895 449 HB2 LYS 60 HB2 LYS 60 -13.275 4.123 3.608 450 HB3 LYS 60 HB3 LYS 60 -14.090 4.273 2.057 451 HG2 LYS 60 HG2 LYS 60 -15.942 2.932 2.874 452 HG3 LYS 60 HG3 LYS 60 -15.117 2.711 4.418 453 HD2 LYS 60 HD2 LYS 60 -15.407 4.941 5.030 454 HD3 LYS 60 HD3 LYS 60 -15.695 5.457 3.367 455 HE2 LYS 60 HE2 LYS 60 -17.750 3.770 3.656 456 HE3 LYS 60 HE3 LYS 60 -17.549 4.258 5.339 457 HZ1 LYS 60 HZ1 LYS 60 -19.016 5.611 3.593 458 HZ2 LYS 60 HZ2 LYS 60 -17.537 6.402 3.377 459 HZ3 LYS 60 HZ3 LYS 60 -18.246 6.341 4.911 460 H ASP 61 H ASP 61 -14.715 0.672 3.629 461 HA ASP 61 HA ASP 61 -12.815 0.189 5.795 462 HB2 ASP 61 HB2 ASP 61 -15.747 -0.156 5.442 463 HB3 ASP 61 HB3 ASP 61 -14.932 -1.274 6.532 464 H ARG 62 H ARG 62 -12.785 -0.947 2.910 465 HA ARG 62 HA ARG 62 -12.648 -3.792 3.652 466 HB2 ARG 62 HB2 ARG 62 -12.987 -2.514 0.933 467 HB3 ARG 62 HB3 ARG 62 -12.815 -4.241 1.212 468 HG2 ARG 62 HG2 ARG 62 -14.870 -3.885 2.792 469 HG3 ARG 62 HG3 ARG 62 -15.113 -2.445 1.801 470 HD2 ARG 62 1HD ARG 62 -15.813 -3.639 0.041 471 HD3 ARG 62 2HD ARG 62 -14.544 -4.846 0.243 472 HE ARG 62 HE ARG 62 -16.331 -5.322 2.272 473 HH11 ARG 62 HH11 ARG 62 -16.471 -5.212 -1.214 474 HH12 ARG 62 HH12 ARG 62 -17.747 -6.377 -1.324 475 HH21 ARG 62 HH21 ARG 62 -18.010 -6.855 2.128 476 HH22 ARG 62 HH22 ARG 62 -18.622 -7.309 0.573 477 H VAL 63 H VAL 63 -10.909 -1.100 2.260 478 HA VAL 63 HA VAL 63 -8.418 -2.596 2.558 479 HB VAL 63 HB VAL 63 -9.029 -2.886 0.200 480 HG11 VAL 63 HG11 VAL 63 -8.646 -0.025 -0.429 481 HG12 VAL 63 HG12 VAL 63 -10.183 -0.475 0.310 482 HG13 VAL 63 HG13 VAL 63 -9.676 -1.231 -1.200 483 HG21 VAL 63 HG21 VAL 63 -6.956 -2.123 -0.780 484 HG22 VAL 63 HG22 VAL 63 -6.658 -2.679 0.867 485 HG23 VAL 63 HG23 VAL 63 -6.736 -0.952 0.520 486 H VAL 64 H VAL 64 -6.529 -1.237 2.671 487 HA VAL 64 HA VAL 64 -7.083 1.617 3.084 488 HB VAL 64 HB VAL 64 -7.094 0.543 5.294 489 HG11 VAL 64 HG11 VAL 64 -4.187 -0.086 5.016 490 HG12 VAL 64 HG12 VAL 64 -5.395 -1.246 4.463 491 HG13 VAL 64 HG13 VAL 64 -5.373 -0.733 6.150 492 HG21 VAL 64 HG21 VAL 64 -6.084 2.865 4.778 493 HG22 VAL 64 HG22 VAL 64 -4.536 2.090 5.112 494 HG23 VAL 64 HG23 VAL 64 -5.784 2.140 6.358 495 H ILE 65 H ILE 65 -5.736 2.840 1.962 496 HA ILE 65 HA ILE 65 -3.380 1.680 0.741 497 HB ILE 65 HB ILE 65 -4.305 4.543 0.540 498 HG12 ILE 65 HG12 ILE 65 -6.137 2.985 -0.068 499 HG13 ILE 65 HG13 ILE 65 -5.557 3.915 -1.447 500 HG21 ILE 65 HG21 ILE 65 -2.948 4.715 -1.341 501 HG22 ILE 65 HG22 ILE 65 -2.838 2.966 -1.541 502 HG23 ILE 65 HG23 ILE 65 -1.977 3.758 -0.221 503 HD11 ILE 65 HD11 ILE 65 -4.026 1.605 -1.479 504 HD12 ILE 65 HD12 ILE 65 -5.391 1.991 -2.528 505 HD13 ILE 65 HD13 ILE 65 -5.649 1.062 -1.051 506 H ALA 66 H ALA 66 -1.650 1.493 2.030 507 HA ALA 66 HA ALA 66 -0.949 3.763 3.768 508 HB1 ALA 66 HB1 ALA 66 -1.357 1.480 4.795 509 HB2 ALA 66 HB2 ALA 66 0.163 2.271 5.213 510 HB3 ALA 66 HB3 ALA 66 0.143 0.974 4.018 511 H LYS 67 H LYS 67 0.786 4.930 3.300 512 HA LYS 67 HA LYS 67 2.676 3.883 1.302 513 HB2 LYS 67 HB2 LYS 67 3.241 6.248 0.857 514 HB3 LYS 67 HB3 LYS 67 1.543 5.897 0.564 515 HG2 LYS 67 HG2 LYS 67 0.850 7.318 2.145 516 HG3 LYS 67 HG3 LYS 67 2.116 6.834 3.275 517 HD2 LYS 67 HD2 LYS 67 3.565 8.146 1.386 518 HD3 LYS 67 HD3 LYS 67 2.048 9.048 1.343 519 HE2 LYS 67 HE2 LYS 67 3.264 10.172 2.965 520 HE3 LYS 67 HE3 LYS 67 2.265 9.075 3.919 521 HZ1 LYS 67 HZ1 LYS 67 4.995 8.319 3.082 522 HZ2 LYS 67 HZ2 LYS 67 4.065 7.691 4.348 523 HZ3 LYS 67 HZ3 LYS 67 4.733 9.239 4.478 524 H VAL 68 H VAL 68 4.916 4.195 1.608 525 HA VAL 68 HA VAL 68 5.953 5.348 4.012 526 HB VAL 68 HB VAL 68 5.116 3.226 4.925 527 HG11 VAL 68 HG11 VAL 68 5.150 1.765 3.071 528 HG12 VAL 68 HG12 VAL 68 6.328 1.121 4.214 529 HG13 VAL 68 HG13 VAL 68 6.873 2.024 2.801 530 HG21 VAL 68 HG21 VAL 68 7.189 2.485 5.985 531 HG22 VAL 68 HG22 VAL 68 7.114 4.245 5.895 532 HG23 VAL 68 HG23 VAL 68 8.127 3.346 4.765 533 H ASP 69 H ASP 69 8.260 5.369 4.077 534 HA ASP 69 HA ASP 69 9.444 5.071 1.423 535 HB2 ASP 69 HB2 ASP 69 10.232 6.596 3.895 536 HB3 ASP 69 HB3 ASP 69 11.380 6.327 2.587 537 H ALA 70 H ALA 70 11.324 3.887 1.042 538 HA ALA 70 HA ALA 70 11.664 1.588 2.729 539 HB1 ALA 70 HB1 ALA 70 12.593 2.441 0.064 540 HB2 ALA 70 HB2 ALA 70 11.978 0.881 0.610 541 HB3 ALA 70 HB3 ALA 70 13.652 1.332 0.935 542 H THR 71 H THR 71 12.266 3.448 4.441 543 HA THR 71 HA THR 71 15.178 3.279 4.712 544 HB THR 71 HB THR 71 15.441 5.551 5.274 545 HG1 THR 71 HG1 THR 71 13.625 6.933 5.543 546 HG21 THR 71 HG21 THR 71 14.259 6.854 3.455 547 HG22 THR 71 HG22 THR 71 13.541 5.318 2.968 548 HG23 THR 71 HG23 THR 71 15.293 5.522 2.938 549 H ALA 72 H ALA 72 12.687 2.002 5.907 550 HA ALA 72 HA ALA 72 12.768 2.866 8.671 551 HB1 ALA 72 HB1 ALA 72 10.762 1.889 7.206 552 HB2 ALA 72 HB2 ALA 72 10.836 1.715 8.959 553 HB3 ALA 72 HB3 ALA 72 11.342 0.384 7.919 554 H ASN 73 H ASN 73 12.649 0.772 10.231 555 HA ASN 73 HA ASN 73 15.126 -0.737 9.707 556 HB2 ASN 73 HB2 ASN 73 14.055 -0.161 12.462 557 HB3 ASN 73 HB3 ASN 73 15.685 -0.638 11.996 558 HD21 ASN 73 HD21 ASN 73 13.329 1.972 11.677 559 HD22 ASN 73 HD22 ASN 73 14.488 3.252 11.623 560 H ASP 74 H ASP 74 15.242 -2.891 10.619 561 HA ASP 74 HA ASP 74 14.446 -5.012 10.829 562 HB2 ASP 74 HB2 ASP 74 13.492 -3.672 12.922 563 HB3 ASP 74 HB3 ASP 74 11.954 -4.048 12.151 564 H VAL 75 H VAL 75 13.950 -4.034 8.368 565 HA VAL 75 HA VAL 75 11.312 -5.177 7.746 566 HB VAL 75 HB VAL 75 11.108 -2.760 7.538 567 HG11 VAL 75 HG11 VAL 75 12.956 -2.525 5.264 568 HG12 VAL 75 HG12 VAL 75 13.719 -2.738 6.840 569 HG13 VAL 75 HG13 VAL 75 12.610 -1.394 6.572 570 HG21 VAL 75 HG21 VAL 75 9.854 -2.915 5.686 571 HG22 VAL 75 HG22 VAL 75 10.377 -4.599 5.657 572 HG23 VAL 75 HG23 VAL 75 11.222 -3.397 4.683 573 HA PRO 76 HA PRO 76 14.445 -7.482 5.318 574 HB2 PRO 76 HB2 PRO 76 12.967 -9.754 5.131 575 HB3 PRO 76 HB3 PRO 76 13.967 -9.370 6.537 576 HG2 PRO 76 HG2 PRO 76 11.017 -9.025 6.160 577 HG3 PRO 76 HG3 PRO 76 11.901 -9.639 7.569 578 HD2 PRO 76 HD2 PRO 76 10.958 -7.107 7.436 579 HD3 PRO 76 HD3 PRO 76 12.448 -7.524 8.306 580 H ASP 77 H ASP 77 13.819 -5.856 3.653 581 HA ASP 77 HA ASP 77 11.893 -6.970 1.722 582 HB2 ASP 77 HB2 ASP 77 11.692 -4.666 0.830 583 HB3 ASP 77 HB3 ASP 77 11.198 -4.783 2.516 584 H GLU 78 H GLU 78 12.794 -7.900 0.023 585 HA GLU 78 HA GLU 78 15.367 -6.856 -0.967 586 HB2 GLU 78 HB2 GLU 78 15.021 -9.332 0.062 587 HB3 GLU 78 HB3 GLU 78 14.626 -9.647 -1.622 588 HG2 GLU 78 HG2 GLU 78 16.756 -9.034 -2.359 589 HG3 GLU 78 HG3 GLU 78 17.139 -8.215 -0.845 590 H ILE 79 H ILE 79 14.914 -5.682 -2.726 591 HA ILE 79 HA ILE 79 13.305 -6.941 -4.833 592 HB ILE 79 HB ILE 79 12.208 -4.830 -5.360 593 HG12 ILE 79 HG12 ILE 79 14.034 -3.382 -4.408 594 HG13 ILE 79 HG13 ILE 79 12.404 -2.873 -3.988 595 HG21 ILE 79 HG21 ILE 79 11.464 -4.944 -2.549 596 HG22 ILE 79 HG22 ILE 79 11.602 -6.537 -3.292 597 HG23 ILE 79 HG23 ILE 79 10.523 -5.328 -3.989 598 HD11 ILE 79 HD11 ILE 79 13.056 -2.827 -1.876 599 HD12 ILE 79 HD12 ILE 79 14.600 -3.576 -2.283 600 HD13 ILE 79 HD13 ILE 79 13.195 -4.584 -1.933 601 H GLN 80 H GLN 80 13.652 -6.011 -6.972 602 HA GLN 80 HA GLN 80 16.441 -5.508 -7.430 603 HB2 GLN 80 HB2 GLN 80 15.683 -5.357 -9.851 604 HB3 GLN 80 HB3 GLN 80 15.393 -6.888 -9.037 605 HG2 GLN 80 HG2 GLN 80 13.228 -6.759 -9.457 606 HG3 GLN 80 HG3 GLN 80 13.128 -5.177 -8.688 607 HE21 GLN 80 HE21 GLN 80 11.744 -4.257 -10.125 608 HE22 GLN 80 HE22 GLN 80 12.149 -3.932 -11.773 609 H GLY 81 H GLY 81 13.467 -3.616 -7.533 610 HA2 GLY 81 HA2 GLY 81 15.138 -1.202 -7.850 611 HA3 GLY 81 HA3 GLY 81 13.646 -1.391 -8.758 612 H PHE 82 H PHE 82 14.622 0.546 -6.622 613 HA PHE 82 HA PHE 82 13.471 0.340 -4.223 614 HB2 PHE 82 HB2 PHE 82 14.212 2.517 -5.934 615 HB3 PHE 82 HB3 PHE 82 12.845 2.931 -4.895 616 HD1 PHE 82 HD2 PHE 82 13.052 2.175 -2.438 617 HD2 PHE 82 HD1 PHE 82 16.314 2.729 -5.104 618 HE1 PHE 82 HE2 PHE 82 14.590 2.423 -0.515 619 HE2 PHE 82 HE1 PHE 82 17.846 2.950 -3.221 620 HZ PHE 82 HZ PHE 82 16.996 2.812 -0.904 621 HA PRO 83 HA PRO 83 9.311 1.784 -5.484 622 HB2 PRO 83 HB2 PRO 83 8.844 0.625 -8.141 623 HB3 PRO 83 HB3 PRO 83 8.479 2.247 -7.557 624 HG2 PRO 83 HG2 PRO 83 10.486 1.721 -9.308 625 HG3 PRO 83 HG3 PRO 83 10.532 3.065 -8.153 626 HD2 PRO 83 HD2 PRO 83 11.918 0.429 -8.056 627 HD3 PRO 83 HD3 PRO 83 12.461 2.017 -7.470 628 H THR 84 H THR 84 9.385 0.113 -3.914 629 HA THR 84 HA THR 84 8.728 -2.588 -4.744 630 HB THR 84 HB THR 84 9.809 -1.260 -2.342 631 HG1 THR 84 HG1 THR 84 11.136 -2.974 -2.413 632 HG21 THR 84 HG21 THR 84 8.168 -3.769 -2.012 633 HG22 THR 84 HG22 THR 84 7.789 -2.189 -1.325 634 HG23 THR 84 HG23 THR 84 9.236 -3.052 -0.805 635 H ILE 85 H ILE 85 6.838 -3.643 -4.304 636 HA ILE 85 HA ILE 85 4.675 -2.107 -3.036 637 HB ILE 85 HB ILE 85 4.130 -3.851 -5.421 638 HG12 ILE 85 HG12 ILE 85 4.684 -0.875 -5.472 639 HG13 ILE 85 HG13 ILE 85 5.742 -2.119 -6.130 640 HG21 ILE 85 HG21 ILE 85 2.266 -1.912 -5.431 641 HG22 ILE 85 HG22 ILE 85 2.627 -1.986 -3.707 642 HG23 ILE 85 HG23 ILE 85 2.090 -3.434 -4.558 643 HD11 ILE 85 HD11 ILE 85 3.896 -0.739 -7.550 644 HD12 ILE 85 HD12 ILE 85 2.998 -2.201 -7.144 645 HD13 ILE 85 HD13 ILE 85 4.536 -2.319 -8.000 646 H LYS 86 H LYS 86 4.279 -3.235 -1.233 647 HA LYS 86 HA LYS 86 4.283 -6.168 -1.372 648 HB2 LYS 86 HB2 LYS 86 4.161 -4.542 1.156 649 HB3 LYS 86 HB3 LYS 86 4.665 -6.214 0.957 650 HG2 LYS 86 HG2 LYS 86 6.514 -5.062 -0.567 651 HG3 LYS 86 HG3 LYS 86 6.174 -3.708 0.512 652 HD2 LYS 86 HD2 LYS 86 7.713 -4.699 1.828 653 HD3 LYS 86 HD3 LYS 86 6.362 -5.734 2.295 654 HE2 LYS 86 HE2 LYS 86 7.069 -7.209 0.319 655 HE3 LYS 86 HE3 LYS 86 8.576 -6.294 0.347 656 HZ1 LYS 86 HZ1 LYS 86 7.652 -7.396 2.884 657 HZ2 LYS 86 HZ2 LYS 86 9.224 -7.244 2.278 658 HZ3 LYS 86 HZ3 LYS 86 8.229 -8.502 1.740 659 H LEU 87 H LEU 87 2.458 -7.299 -1.187 660 HA LEU 87 HA LEU 87 0.008 -5.841 -0.447 661 HB2 LEU 87 HB2 LEU 87 0.617 -7.282 -2.770 662 HB3 LEU 87 HB3 LEU 87 -0.465 -8.319 -1.862 663 HG LEU 87 HG LEU 87 -1.612 -6.851 -3.509 664 HD11 LEU 87 HD11 LEU 87 -2.770 -7.754 -1.537 665 HD12 LEU 87 HD12 LEU 87 -3.406 -6.185 -2.031 666 HD13 LEU 87 HD13 LEU 87 -2.334 -6.302 -0.635 667 HD21 LEU 87 HD21 LEU 87 -1.723 -4.523 -3.254 668 HD22 LEU 87 HD22 LEU 87 -0.015 -4.915 -3.062 669 HD23 LEU 87 HD23 LEU 87 -1.007 -4.577 -1.644 670 H TYR 88 H TYR 88 -1.186 -6.560 1.203 671 HA TYR 88 HA TYR 88 -0.645 -9.248 2.277 672 HB2 TYR 88 HB2 TYR 88 -0.710 -6.623 3.740 673 HB3 TYR 88 HB3 TYR 88 -1.089 -8.128 4.572 674 HD1 TYR 88 HD1 TYR 88 0.709 -10.057 4.165 675 HD2 TYR 88 HD2 TYR 88 1.475 -5.888 3.791 676 HE1 TYR 88 HE1 TYR 88 3.107 -10.472 4.512 677 HE2 TYR 88 HE2 TYR 88 3.876 -6.293 4.137 678 HH TYR 88 HH TYR 88 5.128 -8.920 5.445 679 HA PRO 89 HA PRO 89 -5.156 -8.895 1.607 680 HB2 PRO 89 HB2 PRO 89 -5.563 -11.530 1.154 681 HB3 PRO 89 HB3 PRO 89 -4.974 -10.430 -0.099 682 HG2 PRO 89 HG2 PRO 89 -3.438 -12.341 1.619 683 HG3 PRO 89 HG3 PRO 89 -3.274 -12.017 -0.116 684 HD2 PRO 89 HD2 PRO 89 -1.612 -10.949 1.749 685 HD3 PRO 89 HD3 PRO 89 -2.013 -10.123 0.230 686 H ALA 90 H ALA 90 -6.780 -9.192 3.049 687 HA ALA 90 HA ALA 90 -6.101 -10.146 5.669 688 HB1 ALA 90 HB1 ALA 90 -7.544 -8.462 6.010 689 HB2 ALA 90 HB2 ALA 90 -8.774 -9.707 5.789 690 HB3 ALA 90 HB3 ALA 90 -8.316 -8.670 4.438 691 H GLY 91 H GLY 91 -6.129 -12.213 6.225 692 HA2 GLY 91 HA2 GLY 91 -7.489 -14.161 6.695 693 HA3 GLY 91 HA3 GLY 91 -8.279 -13.918 5.145 694 H ALA 92 H ALA 92 -5.509 -13.322 3.988 695 HA ALA 92 HA ALA 92 -4.371 -16.016 4.053 696 HB1 ALA 92 HB1 ALA 92 -6.076 -15.458 2.079 697 HB2 ALA 92 HB2 ALA 92 -4.666 -16.493 1.856 698 HB3 ALA 92 HB3 ALA 92 -4.603 -14.800 1.365 699 H LYS 93 H LYS 93 -3.237 -13.912 5.315 700 HA LYS 93 HA LYS 93 -1.227 -12.733 3.571 701 HB2 LYS 93 HB2 LYS 93 -0.516 -11.514 5.598 702 HB3 LYS 93 HB3 LYS 93 -2.230 -11.307 5.271 703 HG2 LYS 93 HG2 LYS 93 -2.284 -13.452 6.925 704 HG3 LYS 93 HG3 LYS 93 -0.872 -12.593 7.536 705 HD2 LYS 93 HD2 LYS 93 -2.996 -11.967 8.662 706 HD3 LYS 93 HD3 LYS 93 -2.166 -10.608 7.906 707 HE2 LYS 93 HE2 LYS 93 -3.977 -11.815 6.036 708 HE3 LYS 93 HE3 LYS 93 -4.825 -11.437 7.533 709 HZ1 LYS 93 HZ1 LYS 93 -3.138 -9.287 6.797 710 HZ2 LYS 93 HZ2 LYS 93 -4.816 -9.298 7.007 711 HZ3 LYS 93 HZ3 LYS 93 -4.150 -9.687 5.502 712 H GLY 94 H GLY 94 0.942 -12.615 5.345 713 HA2 GLY 94 HA2 GLY 94 2.408 -14.073 6.576 714 HA3 GLY 94 HA3 GLY 94 1.631 -15.442 5.794 715 H GLN 95 H GLN 95 1.783 -13.721 3.225 716 HA GLN 95 HA GLN 95 4.639 -14.131 2.688 717 HB2 GLN 95 HB2 GLN 95 4.211 -15.168 0.594 718 HB3 GLN 95 HB3 GLN 95 3.216 -15.998 1.778 719 HG2 GLN 95 HG2 GLN 95 2.285 -13.923 -0.196 720 HG3 GLN 95 HG3 GLN 95 2.000 -15.658 -0.280 721 HE21 GLN 95 HE21 GLN 95 0.884 -12.688 0.882 722 HE22 GLN 95 HE22 GLN 95 -0.426 -13.277 1.842 723 HA PRO 96 HA PRO 96 4.033 -9.826 1.508 724 HB2 PRO 96 HB2 PRO 96 6.890 -10.014 0.791 725 HB3 PRO 96 HB3 PRO 96 6.084 -8.919 1.919 726 HG2 PRO 96 HG2 PRO 96 7.652 -10.913 2.783 727 HG3 PRO 96 HG3 PRO 96 6.196 -10.422 3.668 728 HD2 PRO 96 HD2 PRO 96 6.612 -12.767 1.853 729 HD3 PRO 96 HD3 PRO 96 5.722 -12.672 3.388 730 H VAL 97 H VAL 97 2.949 -9.657 -0.380 731 HA VAL 97 HA VAL 97 3.894 -10.938 -2.785 732 HB VAL 97 HB VAL 97 1.645 -8.942 -2.495 733 HG11 VAL 97 HG11 VAL 97 1.905 -11.079 -4.584 734 HG12 VAL 97 HG12 VAL 97 2.636 -9.488 -4.796 735 HG13 VAL 97 HG13 VAL 97 0.890 -9.636 -4.595 736 HG21 VAL 97 HG21 VAL 97 0.255 -10.546 -1.751 737 HG22 VAL 97 HG22 VAL 97 1.742 -11.328 -1.212 738 HG23 VAL 97 HG23 VAL 97 1.003 -11.798 -2.743 739 H THR 98 H THR 98 5.662 -10.094 -3.706 740 HA THR 98 HA THR 98 6.018 -7.199 -3.792 741 HB THR 98 HB THR 98 8.211 -8.156 -5.042 742 HG1 THR 98 HG1 THR 98 7.570 -10.171 -3.162 743 HG21 THR 98 HG21 THR 98 8.085 -6.784 -2.932 744 HG22 THR 98 HG22 THR 98 9.420 -7.932 -3.040 745 HG23 THR 98 HG23 THR 98 8.008 -8.311 -2.054 746 H TYR 99 H TYR 99 5.727 -5.996 -5.559 747 HA TYR 99 HA TYR 99 4.541 -7.171 -7.887 748 HB2 TYR 99 HB2 TYR 99 5.172 -4.404 -6.969 749 HB3 TYR 99 HB3 TYR 99 4.897 -4.664 -8.688 750 HD1 TYR 99 HD2 TYR 99 3.262 -6.141 -5.673 751 HD2 TYR 99 HD1 TYR 99 2.813 -3.819 -9.209 752 HE1 TYR 99 HE2 TYR 99 0.834 -6.050 -5.295 753 HE2 TYR 99 HE1 TYR 99 0.382 -3.720 -8.842 754 HH TYR 99 HH TYR 99 -1.186 -5.622 -6.382 755 H SER 100 H SER 100 5.400 -6.032 -10.064 756 HA SER 100 HA SER 100 8.207 -6.877 -10.291 757 HB2 SER 100 HB2 SER 100 5.849 -7.085 -12.083 758 HB3 SER 100 HB3 SER 100 7.400 -6.766 -12.859 759 HG SER 100 HG SER 100 7.043 -8.996 -12.665 760 H GLY 101 H GLY 101 5.997 -4.238 -10.744 761 HA2 GLY 101 HA2 GLY 101 8.044 -2.309 -10.849 762 HA3 GLY 101 HA3 GLY 101 7.480 -2.621 -12.483 763 H SER 102 H SER 102 7.192 -0.477 -10.135 764 HA SER 102 HA SER 102 4.301 -0.152 -10.185 765 HB2 SER 102 HB2 SER 102 5.832 0.258 -8.142 766 HB3 SER 102 HB3 SER 102 6.243 1.780 -8.934 767 HG SER 102 HG SER 102 3.564 0.999 -8.483 768 H ARG 103 H ARG 103 3.211 1.525 -11.163 769 HA ARG 103 HA ARG 103 4.714 3.524 -12.654 770 HB2 ARG 103 HB2 ARG 103 3.169 1.304 -13.884 771 HB3 ARG 103 HB3 ARG 103 2.993 2.896 -14.610 772 HG2 ARG 103 HG2 ARG 103 5.490 2.997 -14.776 773 HG3 ARG 103 HG3 ARG 103 5.523 1.307 -14.269 774 HD2 ARG 103 1HD ARG 103 5.530 1.045 -16.541 775 HD3 ARG 103 2HD ARG 103 3.794 1.032 -16.234 776 HE ARG 103 HE ARG 103 4.537 3.671 -16.700 777 HH11 ARG 103 HH11 ARG 103 4.445 0.648 -18.441 778 HH12 ARG 103 HH12 ARG 103 4.212 1.400 -19.984 779 HH21 ARG 103 HH21 ARG 103 4.231 4.662 -18.728 780 HH22 ARG 103 HH22 ARG 103 4.091 3.678 -20.147 781 H THR 104 H THR 104 1.360 2.392 -12.948 782 HA THR 104 HA THR 104 0.486 5.030 -11.965 783 HB THR 104 HB THR 104 -1.099 3.244 -13.805 784 HG1 THR 104 HG1 THR 104 0.509 3.716 -15.122 785 HG21 THR 104 HG21 THR 104 -1.715 5.824 -14.410 786 HG22 THR 104 HG22 THR 104 -1.490 5.898 -12.662 787 HG23 THR 104 HG23 THR 104 -2.656 4.770 -13.355 788 H VAL 105 H VAL 105 -1.513 5.107 -10.778 789 HA VAL 105 HA VAL 105 -1.706 3.060 -8.822 790 HB VAL 105 HB VAL 105 -3.763 4.340 -8.081 791 HG11 VAL 105 HG11 VAL 105 -1.645 6.370 -8.255 792 HG12 VAL 105 HG12 VAL 105 -1.130 4.797 -7.647 793 HG13 VAL 105 HG13 VAL 105 -2.436 5.668 -6.844 794 HG21 VAL 105 HG21 VAL 105 -4.161 5.246 -10.428 795 HG22 VAL 105 HG22 VAL 105 -2.874 6.400 -10.079 796 HG23 VAL 105 HG23 VAL 105 -4.335 6.385 -9.092 797 H GLU 106 H GLU 106 -3.361 3.678 -11.817 798 HA GLU 106 HA GLU 106 -5.734 2.274 -11.411 799 HB2 GLU 106 HB2 GLU 106 -5.857 2.072 -13.834 800 HB3 GLU 106 HB3 GLU 106 -5.293 3.676 -13.385 801 HG2 GLU 106 HG2 GLU 106 -2.935 2.427 -13.680 802 HG3 GLU 106 HG3 GLU 106 -3.913 1.514 -14.829 803 H ASP 107 H ASP 107 -2.510 1.127 -12.197 804 HA ASP 107 HA ASP 107 -3.314 -1.562 -12.748 805 HB2 ASP 107 HB2 ASP 107 -1.099 -0.204 -13.357 806 HB3 ASP 107 HB3 ASP 107 -0.532 -0.959 -11.870 807 H LEU 108 H LEU 108 -2.412 0.227 -9.899 808 HA LEU 108 HA LEU 108 -1.885 -2.036 -8.246 809 HB2 LEU 108 HB2 LEU 108 -1.005 0.218 -7.773 810 HB3 LEU 108 HB3 LEU 108 -2.637 0.783 -7.471 811 HG LEU 108 HG LEU 108 -2.721 -1.010 -5.630 812 HD11 LEU 108 HD11 LEU 108 0.095 -1.162 -6.501 813 HD12 LEU 108 HD12 LEU 108 -0.937 -2.388 -5.764 814 HD13 LEU 108 HD13 LEU 108 -0.191 -1.144 -4.761 815 HD21 LEU 108 HD21 LEU 108 -0.706 1.024 -4.889 816 HD22 LEU 108 HD22 LEU 108 -2.236 0.604 -4.117 817 HD23 LEU 108 HD23 LEU 108 -2.225 1.614 -5.563 818 H ILE 109 H ILE 109 -4.666 0.172 -8.526 819 HA ILE 109 HA ILE 109 -6.314 -1.019 -6.632 820 HB ILE 109 HB ILE 109 -6.852 1.131 -7.625 821 HG12 ILE 109 HG12 ILE 109 -8.938 -1.010 -8.090 822 HG13 ILE 109 HG13 ILE 109 -8.712 -0.041 -6.637 823 HG21 ILE 109 HG21 ILE 109 -6.057 0.589 -9.903 824 HG22 ILE 109 HG22 ILE 109 -7.637 1.372 -9.887 825 HG23 ILE 109 HG23 ILE 109 -7.517 -0.367 -10.153 826 HD11 ILE 109 HD11 ILE 109 -10.610 0.780 -7.824 827 HD12 ILE 109 HD12 ILE 109 -9.685 0.904 -9.320 828 HD13 ILE 109 HD13 ILE 109 -9.315 1.969 -7.963 829 H LYS 110 H LYS 110 -6.016 -1.725 -10.103 830 HA LYS 110 HA LYS 110 -8.048 -3.616 -10.307 831 HB2 LYS 110 HB2 LYS 110 -6.553 -2.539 -12.135 832 HB3 LYS 110 HB3 LYS 110 -5.476 -3.896 -11.831 833 HG2 LYS 110 HG2 LYS 110 -7.578 -5.348 -12.209 834 HG3 LYS 110 HG3 LYS 110 -8.240 -3.899 -12.968 835 HD2 LYS 110 HD2 LYS 110 -6.817 -4.012 -14.741 836 HD3 LYS 110 HD3 LYS 110 -5.517 -4.731 -13.788 837 HE2 LYS 110 HE2 LYS 110 -6.211 -6.841 -14.193 838 HE3 LYS 110 HE3 LYS 110 -7.917 -6.402 -14.131 839 HZ1 LYS 110 HZ1 LYS 110 -7.987 -6.010 -16.335 840 HZ2 LYS 110 HZ2 LYS 110 -6.665 -7.064 -16.371 841 HZ3 LYS 110 HZ3 LYS 110 -6.414 -5.392 -16.406 842 H PHE 111 H PHE 111 -4.599 -4.112 -9.588 843 HA PHE 111 HA PHE 111 -4.680 -6.897 -9.355 844 HB2 PHE 111 HB2 PHE 111 -2.803 -4.774 -8.774 845 HB3 PHE 111 HB3 PHE 111 -2.752 -6.008 -7.520 846 HD1 PHE 111 HD1 PHE 111 -3.031 -5.927 -11.244 847 HD2 PHE 111 HD2 PHE 111 -1.146 -7.605 -7.817 848 HE1 PHE 111 HE1 PHE 111 -1.649 -7.345 -12.704 849 HE2 PHE 111 HE2 PHE 111 0.240 -9.026 -9.271 850 HZ PHE 111 HZ PHE 111 -0.010 -8.897 -11.718 851 H ILE 112 H ILE 112 -4.895 -4.423 -6.798 852 HA ILE 112 HA ILE 112 -5.163 -6.021 -4.586 853 HB ILE 112 HB ILE 112 -6.690 -3.465 -5.104 854 HG12 ILE 112 HG12 ILE 112 -4.185 -3.585 -3.489 855 HG13 ILE 112 HG13 ILE 112 -4.038 -3.644 -5.242 856 HG21 ILE 112 HG21 ILE 112 -6.749 -3.244 -2.669 857 HG22 ILE 112 HG22 ILE 112 -5.955 -4.811 -2.507 858 HG23 ILE 112 HG23 ILE 112 -7.573 -4.710 -3.202 859 HD11 ILE 112 HD11 ILE 112 -3.970 -1.374 -3.934 860 HD12 ILE 112 HD12 ILE 112 -5.724 -1.518 -4.038 861 HD13 ILE 112 HD13 ILE 112 -4.752 -1.497 -5.509 862 H ALA 113 H ALA 113 -7.587 -5.278 -7.017 863 HA ALA 113 HA ALA 113 -9.773 -6.422 -5.574 864 HB1 ALA 113 HB1 ALA 113 -11.086 -5.860 -7.370 865 HB2 ALA 113 HB2 ALA 113 -9.811 -6.186 -8.545 866 HB3 ALA 113 HB3 ALA 113 -9.756 -4.718 -7.569 867 H GLU 114 H GLU 114 -7.357 -7.607 -7.793 868 HA GLU 114 HA GLU 114 -8.686 -10.120 -8.264 869 HB2 GLU 114 HB2 GLU 114 -5.851 -9.259 -8.865 870 HB3 GLU 114 HB3 GLU 114 -6.612 -10.734 -9.443 871 HG2 GLU 114 HG2 GLU 114 -8.332 -9.259 -10.556 872 HG3 GLU 114 HG3 GLU 114 -7.276 -7.900 -10.175 873 H ASN 115 H ASN 115 -5.875 -9.022 -6.386 874 HA ASN 115 HA ASN 115 -5.458 -11.640 -5.251 875 HB2 ASN 115 HB2 ASN 115 -3.719 -10.469 -3.880 876 HB3 ASN 115 HB3 ASN 115 -3.508 -10.282 -5.618 877 HD21 ASN 115 HD21 ASN 115 -3.153 -8.320 -6.325 878 HD22 ASN 115 HD22 ASN 115 -3.530 -6.851 -5.498 879 H GLY 116 H GLY 116 -6.966 -8.621 -4.301 880 HA2 GLY 116 HA2 GLY 116 -7.322 -9.392 -1.552 881 HA3 GLY 116 HA3 GLY 116 -8.032 -7.994 -2.345 882 H LYS 117 H LYS 117 -9.074 -10.229 -0.550 883 HA LYS 117 HA LYS 117 -11.009 -11.590 -2.196 884 HB2 LYS 117 HB2 LYS 117 -9.868 -12.237 0.149 885 HB3 LYS 117 HB3 LYS 117 -11.350 -11.505 0.750 886 HG2 LYS 117 HG2 LYS 117 -11.923 -13.730 0.576 887 HG3 LYS 117 HG3 LYS 117 -12.526 -13.065 -0.944 888 HD2 LYS 117 HD2 LYS 117 -11.424 -14.904 -1.738 889 HD3 LYS 117 HD3 LYS 117 -10.107 -13.730 -1.781 890 HE2 LYS 117 HE2 LYS 117 -10.431 -15.146 0.774 891 HE3 LYS 117 HE3 LYS 117 -9.966 -16.165 -0.588 892 HZ1 LYS 117 HZ1 LYS 117 -8.029 -15.311 0.560 893 HZ2 LYS 117 HZ2 LYS 117 -8.544 -13.718 0.314 894 HZ3 LYS 117 HZ3 LYS 117 -8.102 -14.676 -1.008 895 H TYR 118 H TYR 118 -10.873 -8.688 -0.298 896 HA TYR 118 HA TYR 118 -13.547 -8.240 0.274 897 HB2 TYR 118 HB2 TYR 118 -11.195 -6.466 -0.210 898 HB3 TYR 118 HB3 TYR 118 -12.793 -5.731 -0.126 899 HD1 TYR 118 HD1 TYR 118 -14.193 -6.168 1.966 900 HD2 TYR 118 HD2 TYR 118 -10.030 -7.014 1.746 901 HE1 TYR 118 HE1 TYR 118 -14.072 -6.178 4.422 902 HE2 TYR 118 HE2 TYR 118 -9.897 -7.027 4.201 903 HH TYR 118 HH TYR 118 -12.674 -7.060 6.193 904 H LYS 119 H LYS 119 -11.853 -7.996 -2.759 905 HA LYS 119 HA LYS 119 -14.109 -6.678 -4.052 906 HB2 LYS 119 HB2 LYS 119 -11.344 -7.435 -4.965 907 HB3 LYS 119 HB3 LYS 119 -12.576 -6.897 -6.099 908 HG2 LYS 119 HG2 LYS 119 -11.360 -4.973 -5.611 909 HG3 LYS 119 HG3 LYS 119 -12.802 -4.839 -4.603 910 HD2 LYS 119 HD2 LYS 119 -11.535 -5.710 -2.691 911 HD3 LYS 119 HD3 LYS 119 -10.094 -5.823 -3.703 912 HE2 LYS 119 HE2 LYS 119 -9.820 -3.808 -2.560 913 HE3 LYS 119 HE3 LYS 119 -10.441 -3.320 -4.137 914 HZ1 LYS 119 HZ1 LYS 119 -11.773 -2.113 -2.753 915 HZ2 LYS 119 HZ2 LYS 119 -11.767 -3.273 -1.523 916 HZ3 LYS 119 HZ3 LYS 119 -12.718 -3.509 -2.901 917 H ALA 120 H ALA 120 -12.775 -9.832 -3.623 918 HA ALA 120 HA ALA 120 -14.758 -10.900 -5.523 919 HB1 ALA 120 HB1 ALA 120 -11.882 -11.527 -5.223 920 HB2 ALA 120 HB2 ALA 120 -12.904 -11.540 -6.660 921 HB3 ALA 120 HB3 ALA 120 -12.968 -12.884 -5.520 922 H ALA 121 H ALA 121 -16.346 -11.500 -4.144 923 HA ALA 121 HA ALA 121 -15.803 -13.738 -2.390 924 HB1 ALA 121 HB1 ALA 121 -15.609 -11.339 -1.201 925 HB2 ALA 121 HB2 ALA 121 -16.194 -12.786 -0.378 926 HB3 ALA 121 HB3 ALA 121 -17.342 -11.617 -1.031 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -0.488 17.842 6.150 2 H2 GLY 1 2H GLY 1 -1.030 16.313 5.673 3 H3 GLY 1 3H GLY 1 0.242 17.056 4.842 4 HA2 GLY 1 HA3 GLY 1 1.561 15.807 6.123 5 HA3 GLY 1 HA2 GLY 1 1.232 17.049 7.321 6 HA PRO 2 HA PRO 2 0.006 12.587 8.677 7 HB2 PRO 2 HB2 PRO 2 1.776 13.473 10.906 8 HB3 PRO 2 HB3 PRO 2 1.611 11.876 10.167 9 HG2 PRO 2 HG2 PRO 2 3.717 13.408 9.623 10 HG3 PRO 2 HG3 PRO 2 2.953 12.429 8.357 11 HD2 PRO 2 HD2 PRO 2 2.783 15.368 8.845 12 HD3 PRO 2 HD3 PRO 2 2.804 14.476 7.310 13 H LEU 3 H LEU 3 -1.823 12.428 9.815 14 HA LEU 3 HA LEU 3 -2.391 14.449 11.876 15 HB2 LEU 3 HB2 LEU 3 -3.935 13.777 9.460 16 HB3 LEU 3 HB3 LEU 3 -4.879 13.863 10.935 17 HG LEU 3 HG LEU 3 -3.612 16.166 11.219 18 HD11 LEU 3 HD11 LEU 3 -3.190 15.414 8.388 19 HD12 LEU 3 HD12 LEU 3 -2.208 16.416 9.457 20 HD13 LEU 3 HD13 LEU 3 -3.666 17.080 8.719 21 HD21 LEU 3 HD21 LEU 3 -5.718 16.336 9.164 22 HD22 LEU 3 HD22 LEU 3 -5.601 17.117 10.741 23 HD23 LEU 3 HD23 LEU 3 -6.133 15.439 10.625 24 H GLY 4 H GLY 4 -3.731 11.424 10.524 25 HA2 GLY 4 HA2 GLY 4 -3.278 9.802 12.718 26 HA3 GLY 4 HA3 GLY 4 -4.822 10.586 13.017 27 H SER 5 H SER 5 -6.274 9.002 12.725 28 HA SER 5 HA SER 5 -6.031 6.914 10.841 29 HB2 SER 5 HB2 SER 5 -8.466 7.973 12.294 30 HB3 SER 5 HB3 SER 5 -8.432 6.475 11.364 31 HG SER 5 HG SER 5 -7.952 5.777 13.338 32 H GLU 6 H GLU 6 -7.919 9.922 10.810 33 HA GLU 6 HA GLU 6 -9.129 9.492 8.297 34 HB2 GLU 6 HB2 GLU 6 -8.767 11.804 10.126 35 HB3 GLU 6 HB3 GLU 6 -9.155 12.168 8.450 36 HG2 GLU 6 HG2 GLU 6 -11.170 10.853 8.587 37 HG3 GLU 6 HG3 GLU 6 -10.763 10.347 10.225 38 H GLY 7 H GLY 7 -6.019 10.755 9.246 39 HA2 GLY 7 HA2 GLY 7 -5.300 12.154 6.945 40 HA3 GLY 7 HA3 GLY 7 -4.173 11.342 8.018 41 HA PRO 8 HA PRO 8 -5.410 8.897 3.847 42 HB2 PRO 8 HB2 PRO 8 -3.609 10.846 2.485 43 HB3 PRO 8 HB3 PRO 8 -5.041 10.014 1.867 44 HG2 PRO 8 HG2 PRO 8 -5.161 12.582 2.553 45 HG3 PRO 8 HG3 PRO 8 -6.507 11.482 2.907 46 HD2 PRO 8 HD2 PRO 8 -4.437 12.602 4.742 47 HD3 PRO 8 HD3 PRO 8 -6.149 12.245 5.052 48 H VAL 9 H VAL 9 -2.345 10.662 4.348 49 HA VAL 9 HA VAL 9 -0.691 8.500 3.581 50 HB VAL 9 HB VAL 9 1.116 9.804 4.801 51 HG11 VAL 9 HG11 VAL 9 -0.363 11.554 2.873 52 HG12 VAL 9 HG12 VAL 9 0.347 10.027 2.347 53 HG13 VAL 9 HG13 VAL 9 1.373 11.288 3.031 54 HG21 VAL 9 HG21 VAL 9 -0.641 12.162 4.917 55 HG22 VAL 9 HG22 VAL 9 0.671 11.667 5.987 56 HG23 VAL 9 HG23 VAL 9 -0.927 10.941 6.157 57 H THR 10 H THR 10 -0.256 6.688 4.639 58 HA THR 10 HA THR 10 -0.499 6.680 7.577 59 HB THR 10 HB THR 10 -1.029 4.367 5.703 60 HG1 THR 10 HG1 THR 10 -3.192 4.734 6.177 61 HG21 THR 10 HG21 THR 10 -0.307 3.669 7.941 62 HG22 THR 10 HG22 THR 10 -1.986 3.246 7.608 63 HG23 THR 10 HG23 THR 10 -1.612 4.625 8.642 64 H VAL 11 H VAL 11 1.240 6.073 8.698 65 HA VAL 11 HA VAL 11 3.691 5.500 7.338 66 HB VAL 11 HB VAL 11 3.654 6.838 9.398 67 HG11 VAL 11 HG11 VAL 11 1.845 5.177 10.384 68 HG12 VAL 11 HG12 VAL 11 2.915 6.111 11.429 69 HG13 VAL 11 HG13 VAL 11 3.277 4.420 11.082 70 HG21 VAL 11 HG21 VAL 11 5.698 5.649 8.745 71 HG22 VAL 11 HG22 VAL 11 5.196 4.264 9.713 72 HG23 VAL 11 HG23 VAL 11 5.561 5.801 10.496 73 H VAL 12 H VAL 12 4.873 3.614 7.295 74 HA VAL 12 HA VAL 12 3.623 1.204 8.422 75 HB VAL 12 HB VAL 12 4.945 0.676 5.874 76 HG11 VAL 12 HG11 VAL 12 2.113 0.093 6.692 77 HG12 VAL 12 HG12 VAL 12 3.488 -0.846 7.273 78 HG13 VAL 12 HG13 VAL 12 3.124 -0.789 5.548 79 HG21 VAL 12 HG21 VAL 12 3.242 1.587 4.414 80 HG22 VAL 12 HG22 VAL 12 4.002 2.891 5.327 81 HG23 VAL 12 HG23 VAL 12 2.405 2.304 5.791 82 H VAL 13 H VAL 13 5.131 0.881 9.999 83 HA VAL 13 HA VAL 13 7.930 0.589 9.123 84 HB VAL 13 HB VAL 13 7.634 2.365 10.791 85 HG11 VAL 13 HG11 VAL 13 7.091 1.577 13.165 86 HG12 VAL 13 HG12 VAL 13 6.384 0.160 12.390 87 HG13 VAL 13 HG13 VAL 13 5.752 1.767 12.033 88 HG21 VAL 13 HG21 VAL 13 9.700 0.958 10.712 89 HG22 VAL 13 HG22 VAL 13 9.029 0.002 12.033 90 HG23 VAL 13 HG23 VAL 13 9.386 1.712 12.275 91 H ALA 14 H ALA 14 9.187 -1.081 10.255 92 HA ALA 14 HA ALA 14 8.199 -3.605 9.985 93 HB1 ALA 14 HB1 ALA 14 10.595 -2.528 10.747 94 HB2 ALA 14 HB2 ALA 14 10.238 -4.250 10.618 95 HB3 ALA 14 HB3 ALA 14 10.111 -3.438 12.178 96 H LYS 15 H LYS 15 7.930 -1.539 12.816 97 HA LYS 15 HA LYS 15 6.799 -3.663 14.429 98 HB2 LYS 15 HB2 LYS 15 7.637 -0.849 14.890 99 HB3 LYS 15 HB3 LYS 15 6.423 -1.522 15.968 100 HG2 LYS 15 HG2 LYS 15 7.898 -3.261 16.664 101 HG3 LYS 15 HG3 LYS 15 9.082 -2.821 15.432 102 HD2 LYS 15 HD2 LYS 15 8.212 -0.942 17.617 103 HD3 LYS 15 HD3 LYS 15 9.584 -2.039 17.784 104 HE2 LYS 15 HE2 LYS 15 10.893 -0.818 16.411 105 HE3 LYS 15 HE3 LYS 15 9.559 -0.413 15.332 106 HZ1 LYS 15 HZ1 LYS 15 10.571 1.475 16.637 107 HZ2 LYS 15 HZ2 LYS 15 9.845 0.810 18.012 108 HZ3 LYS 15 HZ3 LYS 15 8.886 1.334 16.721 109 H ASN 16 H ASN 16 5.560 -1.579 12.111 110 HA ASN 16 HA ASN 16 2.895 -1.646 13.367 111 HB2 ASN 16 HB2 ASN 16 4.253 0.565 12.486 112 HB3 ASN 16 HB3 ASN 16 3.235 0.188 11.100 113 HD21 ASN 16 HD21 ASN 16 0.923 -0.110 11.545 114 HD22 ASN 16 HD22 ASN 16 0.191 0.864 12.770 115 H TYR 17 H TYR 17 4.487 -1.750 10.177 116 HA TYR 17 HA TYR 17 2.403 -2.448 8.577 117 HB2 TYR 17 HB2 TYR 17 3.997 -2.759 7.031 118 HB3 TYR 17 HB3 TYR 17 5.152 -2.389 8.303 119 HD1 TYR 17 HD1 TYR 17 3.489 -5.139 6.478 120 HD2 TYR 17 HD2 TYR 17 6.606 -4.062 9.159 121 HE1 TYR 17 HE1 TYR 17 4.471 -7.379 6.223 122 HE2 TYR 17 HE2 TYR 17 7.606 -6.296 8.907 123 HH TYR 17 HH TYR 17 6.875 -8.576 8.273 124 H ASN 18 H ASN 18 4.398 -4.766 10.407 125 HA ASN 18 HA ASN 18 3.247 -7.121 9.634 126 HB2 ASN 18 HB2 ASN 18 4.124 -8.101 11.593 127 HB3 ASN 18 HB3 ASN 18 5.190 -6.745 11.244 128 HD21 ASN 18 HD21 ASN 18 4.069 -4.609 12.276 129 HD22 ASN 18 HD22 ASN 18 3.776 -4.779 13.967 130 H GLU 19 H GLU 19 1.932 -4.768 11.887 131 HA GLU 19 HA GLU 19 -0.171 -6.465 12.822 132 HB2 GLU 19 HB2 GLU 19 0.938 -4.220 13.792 133 HB3 GLU 19 HB3 GLU 19 -0.476 -3.525 13.012 134 HG2 GLU 19 HG2 GLU 19 -1.881 -5.141 14.288 135 HG3 GLU 19 HG3 GLU 19 -0.429 -5.626 15.162 136 H ILE 20 H ILE 20 -0.256 -3.515 10.807 137 HA ILE 20 HA ILE 20 -2.935 -3.618 10.124 138 HB ILE 20 HB ILE 20 -2.325 -2.277 8.116 139 HG12 ILE 20 HG12 ILE 20 0.481 -2.852 9.092 140 HG13 ILE 20 HG13 ILE 20 -0.204 -3.254 7.521 141 HG21 ILE 20 HG21 ILE 20 -0.843 -1.252 10.512 142 HG22 ILE 20 HG22 ILE 20 -2.599 -1.414 10.512 143 HG23 ILE 20 HG23 ILE 20 -1.810 -0.357 9.340 144 HD11 ILE 20 HD11 ILE 20 -0.508 -0.502 7.741 145 HD12 ILE 20 HD12 ILE 20 0.677 -1.373 6.767 146 HD13 ILE 20 HD13 ILE 20 1.093 -0.843 8.398 147 H VAL 21 H VAL 21 -0.197 -5.016 8.337 148 HA VAL 21 HA VAL 21 -1.675 -6.032 6.184 149 HB VAL 21 HB VAL 21 0.242 -7.439 5.701 150 HG11 VAL 21 HG11 VAL 21 0.317 -4.975 5.270 151 HG12 VAL 21 HG12 VAL 21 1.897 -5.740 5.434 152 HG13 VAL 21 HG13 VAL 21 1.229 -4.801 6.769 153 HG21 VAL 21 HG21 VAL 21 0.968 -6.844 8.543 154 HG22 VAL 21 HG22 VAL 21 2.220 -7.229 7.363 155 HG23 VAL 21 HG23 VAL 21 0.936 -8.391 7.698 156 H LEU 22 H LEU 22 -0.701 -7.555 9.243 157 HA LEU 22 HA LEU 22 -1.828 -10.086 8.633 158 HB2 LEU 22 HB2 LEU 22 -1.047 -8.797 11.242 159 HB3 LEU 22 HB3 LEU 22 -1.633 -10.446 11.124 160 HG LEU 22 HG LEU 22 0.816 -9.449 9.670 161 HD11 LEU 22 HD11 LEU 22 2.172 -10.209 11.390 162 HD12 LEU 22 HD12 LEU 22 0.881 -11.160 12.125 163 HD13 LEU 22 HD13 LEU 22 0.861 -9.401 12.250 164 HD21 LEU 22 HD21 LEU 22 -0.180 -12.233 10.268 165 HD22 LEU 22 HD22 LEU 22 1.301 -11.818 9.405 166 HD23 LEU 22 HD23 LEU 22 -0.268 -11.423 8.704 167 H ASP 23 H ASP 23 -3.271 -7.133 9.428 168 HA ASP 23 HA ASP 23 -5.497 -8.100 10.923 169 HB2 ASP 23 HB2 ASP 23 -4.477 -5.605 10.312 170 HB3 ASP 23 HB3 ASP 23 -5.975 -5.656 9.387 171 H ASP 24 H ASP 24 -6.716 -9.645 10.010 172 HA ASP 24 HA ASP 24 -7.337 -9.654 7.202 173 HB2 ASP 24 HB2 ASP 24 -8.653 -11.668 7.729 174 HB3 ASP 24 HB3 ASP 24 -7.024 -11.762 8.393 175 H THR 25 H THR 25 -8.659 -8.112 9.907 176 HA THR 25 HA THR 25 -11.412 -8.198 9.239 177 HB THR 25 HB THR 25 -10.773 -7.615 11.477 178 HG1 THR 25 HG1 THR 25 -11.749 -5.259 10.245 179 HG21 THR 25 HG21 THR 25 -8.742 -6.103 10.309 180 HG22 THR 25 HG22 THR 25 -9.102 -6.282 12.027 181 HG23 THR 25 HG23 THR 25 -9.801 -4.945 11.114 182 H LYS 26 H LYS 26 -8.742 -6.232 8.164 183 HA LYS 26 HA LYS 26 -10.509 -4.980 6.203 184 HB2 LYS 26 HB2 LYS 26 -9.321 -2.774 6.614 185 HB3 LYS 26 HB3 LYS 26 -10.481 -3.272 7.837 186 HG2 LYS 26 HG2 LYS 26 -8.933 -3.220 9.419 187 HG3 LYS 26 HG3 LYS 26 -7.866 -4.269 8.485 188 HD2 LYS 26 HD2 LYS 26 -6.534 -2.438 8.509 189 HD3 LYS 26 HD3 LYS 26 -7.535 -1.974 7.132 190 HE2 LYS 26 HE2 LYS 26 -7.516 -0.076 8.497 191 HE3 LYS 26 HE3 LYS 26 -9.059 -0.852 8.851 192 HZ1 LYS 26 HZ1 LYS 26 -7.359 -0.053 10.725 193 HZ2 LYS 26 HZ2 LYS 26 -6.821 -1.644 10.526 194 HZ3 LYS 26 HZ3 LYS 26 -8.433 -1.343 10.942 195 H ASP 27 H ASP 27 -9.339 -3.997 4.405 196 HA ASP 27 HA ASP 27 -7.034 -5.594 3.696 197 HB2 ASP 27 HB2 ASP 27 -9.141 -4.406 2.276 198 HB3 ASP 27 HB3 ASP 27 -7.697 -3.535 1.769 199 H VAL 28 H VAL 28 -4.968 -4.882 3.370 200 HA VAL 28 HA VAL 28 -4.404 -2.045 3.900 201 HB VAL 28 HB VAL 28 -2.719 -4.272 5.038 202 HG11 VAL 28 HG11 VAL 28 -2.069 -1.680 4.589 203 HG12 VAL 28 HG12 VAL 28 -1.369 -2.676 5.864 204 HG13 VAL 28 HG13 VAL 28 -2.707 -1.588 6.230 205 HG21 VAL 28 HG21 VAL 28 -4.583 -4.574 6.333 206 HG22 VAL 28 HG22 VAL 28 -5.118 -2.904 6.147 207 HG23 VAL 28 HG23 VAL 28 -3.787 -3.286 7.238 208 H LEU 29 H LEU 29 -2.716 -1.166 2.768 209 HA LEU 29 HA LEU 29 -1.263 -2.952 0.931 210 HB2 LEU 29 HB2 LEU 29 -1.886 -0.172 0.073 211 HB3 LEU 29 HB3 LEU 29 -1.649 -1.613 -0.895 212 HG LEU 29 HG LEU 29 -4.118 -0.994 0.730 213 HD11 LEU 29 HD11 LEU 29 -4.300 0.461 -1.035 214 HD12 LEU 29 HD12 LEU 29 -5.052 -0.983 -1.711 215 HD13 LEU 29 HD13 LEU 29 -3.387 -0.577 -2.129 216 HD21 LEU 29 HD21 LEU 29 -3.230 -3.457 0.093 217 HD22 LEU 29 HD22 LEU 29 -4.139 -3.063 -1.366 218 HD23 LEU 29 HD23 LEU 29 -4.937 -3.028 0.207 219 H ILE 30 H ILE 30 0.886 -2.482 0.579 220 HA ILE 30 HA ILE 30 1.999 -0.094 1.860 221 HB ILE 30 HB ILE 30 2.205 -1.893 3.513 222 HG12 ILE 30 HG12 ILE 30 4.839 -1.135 2.227 223 HG13 ILE 30 HG13 ILE 30 3.949 -0.169 3.400 224 HG21 ILE 30 HG21 ILE 30 4.191 -3.419 1.987 225 HG22 ILE 30 HG22 ILE 30 2.533 -3.567 1.404 226 HG23 ILE 30 HG23 ILE 30 2.920 -3.974 3.076 227 HD11 ILE 30 HD11 ILE 30 4.207 -2.461 4.779 228 HD12 ILE 30 HD12 ILE 30 5.370 -1.136 4.844 229 HD13 ILE 30 HD13 ILE 30 5.667 -2.520 3.793 230 H GLU 31 H GLU 31 3.279 0.932 0.483 231 HA GLU 31 HA GLU 31 4.537 -0.613 -1.687 232 HB2 GLU 31 HB2 GLU 31 2.926 1.050 -2.475 233 HB3 GLU 31 HB3 GLU 31 3.779 2.313 -1.601 234 HG2 GLU 31 HG2 GLU 31 5.062 2.671 -3.359 235 HG3 GLU 31 HG3 GLU 31 5.662 1.017 -3.263 236 H PHE 32 H PHE 32 6.695 -0.325 -2.160 237 HA PHE 32 HA PHE 32 8.244 1.166 -0.147 238 HB2 PHE 32 HB2 PHE 32 8.749 -1.434 -1.550 239 HB3 PHE 32 HB3 PHE 32 10.109 -0.474 -0.978 240 HD1 PHE 32 HD1 PHE 32 10.139 0.181 1.488 241 HD2 PHE 32 HD2 PHE 32 7.604 -2.845 -0.104 242 HE1 PHE 32 HE1 PHE 32 9.859 -0.767 3.742 243 HE2 PHE 32 HE2 PHE 32 7.319 -3.797 2.147 244 HZ PHE 32 HZ PHE 32 8.447 -2.758 4.073 245 H TYR 33 H TYR 33 9.035 2.995 -0.930 246 HA TYR 33 HA TYR 33 10.222 2.982 -3.613 247 HB2 TYR 33 HB2 TYR 33 9.238 5.123 -4.155 248 HB3 TYR 33 HB3 TYR 33 7.952 4.001 -3.724 249 HD1 TYR 33 HD1 TYR 33 6.803 4.226 -1.535 250 HD2 TYR 33 HD2 TYR 33 9.654 7.088 -2.870 251 HE1 TYR 33 HE1 TYR 33 5.971 5.827 0.136 252 HE2 TYR 33 HE2 TYR 33 8.831 8.696 -1.202 253 HH TYR 33 HH TYR 33 6.683 7.793 1.318 254 H ALA 34 H ALA 34 11.522 5.075 -3.949 255 HA ALA 34 HA ALA 34 12.708 6.079 -1.476 256 HB1 ALA 34 HB1 ALA 34 14.969 5.594 -2.172 257 HB2 ALA 34 HB2 ALA 34 14.386 4.871 -3.671 258 HB3 ALA 34 HB3 ALA 34 14.035 4.099 -2.125 259 HA PRO 35 HA PRO 35 12.720 9.873 -3.734 260 HB2 PRO 35 HB2 PRO 35 14.709 11.212 -2.455 261 HB3 PRO 35 HB3 PRO 35 13.116 10.941 -1.740 262 HG2 PRO 35 HG2 PRO 35 15.671 9.446 -1.295 263 HG3 PRO 35 HG3 PRO 35 14.462 9.974 -0.109 264 HD2 PRO 35 HD2 PRO 35 14.585 7.430 -1.023 265 HD3 PRO 35 HD3 PRO 35 13.054 8.207 -0.570 266 H TRP 36 H TRP 36 15.951 8.511 -3.109 267 HA TRP 36 HA TRP 36 17.103 9.815 -5.397 268 HB2 TRP 36 HB2 TRP 36 19.101 8.375 -4.824 269 HB3 TRP 36 HB3 TRP 36 18.559 9.461 -3.549 270 HD1 TRP 36 HD1 TRP 36 17.522 5.827 -4.485 271 HE1 TRP 36 HE1 TRP 36 17.593 4.415 -2.334 272 HE3 TRP 36 HE3 TRP 36 19.104 9.418 -1.208 273 HZ2 TRP 36 HZ2 TRP 36 18.234 4.776 0.391 274 HZ3 TRP 36 HZ3 TRP 36 19.420 8.803 1.153 275 HH2 TRP 36 HH2 TRP 36 18.993 6.529 1.935 276 H CYS 37 H CYS 37 15.085 7.210 -5.137 277 HA CYS 37 HA CYS 37 16.120 5.178 -6.669 278 HB2 CYS 37 HB2 CYS 37 13.956 4.973 -5.607 279 HB3 CYS 37 HB3 CYS 37 13.296 6.257 -6.616 280 H GLY 38 H GLY 38 14.417 8.077 -7.839 281 HA2 GLY 38 HA2 GLY 38 15.024 9.236 -9.826 282 HA3 GLY 38 HA3 GLY 38 15.804 7.770 -10.408 283 H HIS 39 H HIS 39 13.646 6.009 -9.785 284 HA HIS 39 HA HIS 39 11.677 6.859 -11.804 285 HB2 HIS 39 HB2 HIS 39 13.102 4.300 -11.352 286 HB3 HIS 39 HB3 HIS 39 11.399 4.169 -11.778 287 HD1 HIS 39 HD1 HIS 39 13.495 3.129 -13.724 288 HD2 HIS 39 HD2 HIS 39 11.986 6.999 -13.832 289 HE1 HIS 39 HE1 HIS 39 13.867 3.931 -16.079 290 HE2 HIS 39 HE2 HIS 39 12.867 6.242 -16.143 291 H CYS 40 H CYS 40 12.099 6.344 -8.562 292 HA CYS 40 HA CYS 40 9.361 5.382 -8.132 293 HB2 CYS 40 HB2 CYS 40 11.533 5.699 -6.059 294 HB3 CYS 40 HB3 CYS 40 10.021 4.816 -5.901 295 H LYS 41 H LYS 41 11.349 8.175 -7.947 296 HA LYS 41 HA LYS 41 10.270 9.672 -5.916 297 HB2 LYS 41 HB2 LYS 41 12.024 10.159 -7.939 298 HB3 LYS 41 HB3 LYS 41 10.663 11.160 -8.431 299 HG2 LYS 41 HG2 LYS 41 11.557 11.341 -5.609 300 HG3 LYS 41 HG3 LYS 41 12.583 12.062 -6.851 301 HD2 LYS 41 HD2 LYS 41 10.903 13.549 -7.534 302 HD3 LYS 41 HD3 LYS 41 9.635 12.622 -6.730 303 HE2 LYS 41 HE2 LYS 41 10.278 13.367 -4.606 304 HE3 LYS 41 HE3 LYS 41 11.858 13.903 -5.176 305 HZ1 LYS 41 HZ1 LYS 41 10.544 15.553 -6.576 306 HZ2 LYS 41 HZ2 LYS 41 10.636 15.849 -4.914 307 HZ3 LYS 41 HZ3 LYS 41 9.228 15.187 -5.577 308 H ALA 42 H ALA 42 8.811 8.788 -8.946 309 HA ALA 42 HA ALA 42 6.681 10.716 -8.789 310 HB1 ALA 42 HB1 ALA 42 5.763 8.908 -10.562 311 HB2 ALA 42 HB2 ALA 42 7.491 8.566 -10.637 312 HB3 ALA 42 HB3 ALA 42 6.899 10.193 -10.974 313 H LEU 43 H LEU 43 7.250 7.460 -7.707 314 HA LEU 43 HA LEU 43 4.604 6.614 -7.313 315 HB2 LEU 43 HB2 LEU 43 7.150 5.580 -6.872 316 HB3 LEU 43 HB3 LEU 43 6.438 5.654 -5.272 317 HG LEU 43 HG LEU 43 6.062 3.471 -6.244 318 HD11 LEU 43 HD11 LEU 43 3.756 5.287 -5.776 319 HD12 LEU 43 HD12 LEU 43 4.294 3.878 -4.860 320 HD13 LEU 43 HD13 LEU 43 3.437 3.663 -6.387 321 HD21 LEU 43 HD21 LEU 43 4.290 3.636 -8.256 322 HD22 LEU 43 HD22 LEU 43 6.031 3.501 -8.501 323 HD23 LEU 43 HD23 LEU 43 5.249 5.080 -8.579 324 H ALA 44 H ALA 44 6.692 8.692 -5.442 325 HA ALA 44 HA ALA 44 5.331 8.624 -2.990 326 HB1 ALA 44 HB1 ALA 44 6.414 11.236 -3.490 327 HB2 ALA 44 HB2 ALA 44 7.527 9.994 -4.064 328 HB3 ALA 44 HB3 ALA 44 6.980 9.981 -2.388 329 HA PRO 45 HA PRO 45 2.901 12.593 -4.402 330 HB2 PRO 45 HB2 PRO 45 2.889 13.023 -7.124 331 HB3 PRO 45 HB3 PRO 45 3.954 13.852 -5.985 332 HG2 PRO 45 HG2 PRO 45 4.518 11.498 -7.738 333 HG3 PRO 45 HG3 PRO 45 5.550 12.890 -7.362 334 HD2 PRO 45 HD2 PRO 45 5.920 10.505 -6.187 335 HD3 PRO 45 HD3 PRO 45 6.182 12.025 -5.307 336 H LYS 46 H LYS 46 3.099 9.882 -6.663 337 HA LYS 46 HA LYS 46 0.388 9.917 -7.462 338 HB2 LYS 46 HB2 LYS 46 2.560 7.846 -7.523 339 HB3 LYS 46 HB3 LYS 46 0.915 7.419 -7.974 340 HG2 LYS 46 HG2 LYS 46 2.284 9.758 -9.239 341 HG3 LYS 46 HG3 LYS 46 2.575 8.115 -9.813 342 HD2 LYS 46 HD2 LYS 46 0.111 7.849 -10.088 343 HD3 LYS 46 HD3 LYS 46 -0.071 9.557 -9.681 344 HE2 LYS 46 HE2 LYS 46 1.880 8.952 -11.803 345 HE3 LYS 46 HE3 LYS 46 0.197 8.613 -12.201 346 HZ1 LYS 46 HZ1 LYS 46 -0.333 10.787 -12.204 347 HZ2 LYS 46 HZ2 LYS 46 1.317 10.997 -12.506 348 HZ3 LYS 46 HZ3 LYS 46 0.717 11.176 -10.935 349 H TYR 47 H TYR 47 2.036 8.616 -4.684 350 HA TYR 47 HA TYR 47 -0.149 6.935 -3.861 351 HB2 TYR 47 HB2 TYR 47 2.569 7.208 -3.169 352 HB3 TYR 47 HB3 TYR 47 1.658 7.580 -1.709 353 HD1 TYR 47 HD2 TYR 47 2.239 5.000 -4.294 354 HD2 TYR 47 HD1 TYR 47 0.559 5.870 -0.483 355 HE1 TYR 47 HE2 TYR 47 1.915 2.596 -3.896 356 HE2 TYR 47 HE1 TYR 47 0.231 3.468 -0.073 357 HH TYR 47 HH TYR 47 1.375 1.275 -0.961 358 H GLU 48 H GLU 48 0.861 10.219 -3.340 359 HA GLU 48 HA GLU 48 -0.709 10.690 -1.006 360 HB2 GLU 48 HB2 GLU 48 1.291 12.048 -1.825 361 HB3 GLU 48 HB3 GLU 48 0.188 12.782 -2.982 362 HG2 GLU 48 HG2 GLU 48 -0.104 14.310 -1.378 363 HG3 GLU 48 HG3 GLU 48 -1.200 13.114 -0.687 364 H GLU 49 H GLU 49 -1.286 10.850 -4.448 365 HA GLU 49 HA GLU 49 -3.748 12.301 -4.250 366 HB2 GLU 49 HB2 GLU 49 -2.152 12.065 -6.284 367 HB3 GLU 49 HB3 GLU 49 -3.001 10.554 -6.576 368 HG2 GLU 49 HG2 GLU 49 -4.774 12.827 -6.126 369 HG3 GLU 49 HG3 GLU 49 -3.730 13.001 -7.536 370 H LEU 50 H LEU 50 -3.049 8.928 -5.192 371 HA LEU 50 HA LEU 50 -5.696 8.037 -5.127 372 HB2 LEU 50 HB2 LEU 50 -4.086 6.696 -6.229 373 HB3 LEU 50 HB3 LEU 50 -3.070 6.605 -4.804 374 HG LEU 50 HG LEU 50 -4.827 5.228 -3.696 375 HD11 LEU 50 HD11 LEU 50 -6.416 4.152 -5.474 376 HD12 LEU 50 HD12 LEU 50 -6.167 5.680 -6.318 377 HD13 LEU 50 HD13 LEU 50 -6.845 5.672 -4.690 378 HD21 LEU 50 HD21 LEU 50 -3.371 3.687 -4.394 379 HD22 LEU 50 HD22 LEU 50 -3.159 4.470 -5.960 380 HD23 LEU 50 HD23 LEU 50 -4.513 3.370 -5.701 381 H GLY 51 H GLY 51 -3.360 8.470 -2.569 382 HA2 GLY 51 HA2 GLY 51 -4.680 6.895 -0.606 383 HA3 GLY 51 HA3 GLY 51 -3.483 8.143 -0.296 384 H ALA 52 H ALA 52 -4.816 10.342 -1.415 385 HA ALA 52 HA ALA 52 -6.548 11.026 0.739 386 HB1 ALA 52 HB1 ALA 52 -6.952 13.051 -0.949 387 HB2 ALA 52 HB2 ALA 52 -5.476 12.394 -1.657 388 HB3 ALA 52 HB3 ALA 52 -5.493 12.905 0.031 389 H LEU 53 H LEU 53 -7.033 9.960 -2.561 390 HA LEU 53 HA LEU 53 -9.828 10.587 -2.632 391 HB2 LEU 53 HB2 LEU 53 -7.843 9.398 -4.421 392 HB3 LEU 53 HB3 LEU 53 -9.428 8.662 -4.563 393 HG LEU 53 HG LEU 53 -9.294 11.631 -4.609 394 HD11 LEU 53 HD11 LEU 53 -8.821 10.180 -7.164 395 HD12 LEU 53 HD12 LEU 53 -7.449 10.523 -6.111 396 HD13 LEU 53 HD13 LEU 53 -8.443 11.845 -6.723 397 HD21 LEU 53 HD21 LEU 53 -10.950 10.926 -6.570 398 HD22 LEU 53 HD22 LEU 53 -11.457 10.997 -4.882 399 HD23 LEU 53 HD23 LEU 53 -11.029 9.449 -5.610 400 H TYR 54 H TYR 54 -8.049 7.494 -2.527 401 HA TYR 54 HA TYR 54 -10.276 5.858 -2.109 402 HB2 TYR 54 HB2 TYR 54 -7.597 5.434 -2.474 403 HB3 TYR 54 HB3 TYR 54 -7.802 4.965 -0.790 404 HD1 TYR 54 HD1 TYR 54 -9.734 4.504 -3.964 405 HD2 TYR 54 HD2 TYR 54 -8.076 2.703 -0.485 406 HE1 TYR 54 HE1 TYR 54 -10.606 2.320 -4.686 407 HE2 TYR 54 HE2 TYR 54 -8.942 0.515 -1.197 408 HH TYR 54 HH TYR 54 -9.994 -0.135 -4.270 409 H ALA 55 H ALA 55 -8.405 7.792 0.108 410 HA ALA 55 HA ALA 55 -9.415 6.555 2.488 411 HB1 ALA 55 HB1 ALA 55 -7.249 7.698 2.453 412 HB2 ALA 55 HB2 ALA 55 -8.328 8.389 3.664 413 HB3 ALA 55 HB3 ALA 55 -8.064 9.229 2.137 414 H LYS 56 H LYS 56 -10.395 9.191 0.421 415 HA LYS 56 HA LYS 56 -12.242 10.350 2.272 416 HB2 LYS 56 HB2 LYS 56 -11.116 11.176 -0.078 417 HB3 LYS 56 HB3 LYS 56 -12.749 10.781 -0.594 418 HG2 LYS 56 HG2 LYS 56 -13.707 12.377 0.815 419 HG3 LYS 56 HG3 LYS 56 -12.244 12.524 1.791 420 HD2 LYS 56 HD2 LYS 56 -11.179 13.848 0.237 421 HD3 LYS 56 HD3 LYS 56 -12.127 13.213 -1.109 422 HE2 LYS 56 HE2 LYS 56 -14.064 14.385 0.381 423 HE3 LYS 56 HE3 LYS 56 -12.694 15.439 0.727 424 HZ1 LYS 56 HZ1 LYS 56 -13.613 16.387 -1.145 425 HZ2 LYS 56 HZ2 LYS 56 -14.011 14.902 -1.852 426 HZ3 LYS 56 HZ3 LYS 56 -12.400 15.418 -1.819 427 H SER 57 H SER 57 -12.390 7.850 -0.162 428 HA SER 57 HA SER 57 -15.161 7.695 -0.514 429 HB2 SER 57 HB2 SER 57 -13.094 6.411 -1.635 430 HB3 SER 57 HB3 SER 57 -13.608 5.158 -0.505 431 HG SER 57 HG SER 57 -15.348 4.837 -1.653 432 H GLU 58 H GLU 58 -16.126 5.295 0.134 433 HA GLU 58 HA GLU 58 -16.309 5.448 3.048 434 HB2 GLU 58 HB2 GLU 58 -18.290 5.356 1.271 435 HB3 GLU 58 HB3 GLU 58 -18.045 3.625 1.454 436 HG2 GLU 58 HG2 GLU 58 -18.101 4.450 4.047 437 HG3 GLU 58 HG3 GLU 58 -19.235 5.566 3.287 438 H PHE 59 H PHE 59 -13.940 4.348 2.117 439 HA PHE 59 HA PHE 59 -14.279 1.496 2.780 440 HB2 PHE 59 HB2 PHE 59 -12.047 2.689 1.126 441 HB3 PHE 59 HB3 PHE 59 -12.362 0.980 1.409 442 HD1 PHE 59 HD1 PHE 59 -14.976 0.394 0.799 443 HD2 PHE 59 HD2 PHE 59 -12.553 3.405 -0.981 444 HE1 PHE 59 HE1 PHE 59 -16.372 0.315 -1.226 445 HE2 PHE 59 HE2 PHE 59 -13.944 3.332 -3.009 446 HZ PHE 59 HZ PHE 59 -15.857 1.786 -3.133 447 H LYS 60 H LYS 60 -14.006 3.558 4.713 448 HA LYS 60 HA LYS 60 -11.370 3.933 5.605 449 HB2 LYS 60 HB2 LYS 60 -12.378 4.556 7.753 450 HB3 LYS 60 HB3 LYS 60 -13.231 5.298 6.407 451 HG2 LYS 60 HG2 LYS 60 -14.886 3.394 6.576 452 HG3 LYS 60 HG3 LYS 60 -14.107 2.981 8.105 453 HD2 LYS 60 HD2 LYS 60 -14.527 5.396 8.790 454 HD3 LYS 60 HD3 LYS 60 -15.590 5.497 7.385 455 HE2 LYS 60 HE2 LYS 60 -15.855 3.527 9.654 456 HE3 LYS 60 HE3 LYS 60 -16.828 4.982 9.440 457 HZ1 LYS 60 HZ1 LYS 60 -16.714 2.993 7.278 458 HZ2 LYS 60 HZ2 LYS 60 -17.949 4.080 7.671 459 HZ3 LYS 60 HZ3 LYS 60 -17.705 2.700 8.618 460 H ASP 61 H ASP 61 -13.806 1.509 6.508 461 HA ASP 61 HA ASP 61 -11.750 0.044 8.000 462 HB2 ASP 61 HB2 ASP 61 -14.714 0.187 8.125 463 HB3 ASP 61 HB3 ASP 61 -13.974 -1.362 8.517 464 H ARG 62 H ARG 62 -12.312 0.162 4.953 465 HA ARG 62 HA ARG 62 -12.558 -2.741 4.530 466 HB2 ARG 62 HB2 ARG 62 -13.561 -0.408 3.065 467 HB3 ARG 62 HB3 ARG 62 -12.780 -1.600 2.035 468 HG2 ARG 62 HG2 ARG 62 -14.430 -3.099 2.293 469 HG3 ARG 62 HG3 ARG 62 -14.671 -2.698 3.995 470 HD2 ARG 62 1HD ARG 62 -15.564 -0.433 2.845 471 HD3 ARG 62 2HD ARG 62 -15.959 -1.595 1.579 472 HE ARG 62 HE ARG 62 -16.898 -2.741 3.869 473 HH11 ARG 62 HH11 ARG 62 -17.403 0.321 2.273 474 HH12 ARG 62 HH12 ARG 62 -19.023 0.500 2.858 475 HH21 ARG 62 HH21 ARG 62 -19.029 -2.507 4.638 476 HH22 ARG 62 HH22 ARG 62 -19.946 -1.105 4.201 477 H VAL 63 H VAL 63 -10.869 0.121 3.238 478 HA VAL 63 HA VAL 63 -8.442 -1.494 2.988 479 HB VAL 63 HB VAL 63 -9.405 0.262 0.731 480 HG11 VAL 63 HG11 VAL 63 -6.957 -1.297 1.286 481 HG12 VAL 63 HG12 VAL 63 -7.174 0.184 0.353 482 HG13 VAL 63 HG13 VAL 63 -7.587 -1.376 -0.359 483 HG21 VAL 63 HG21 VAL 63 -9.435 -2.750 0.877 484 HG22 VAL 63 HG22 VAL 63 -9.935 -1.757 -0.491 485 HG23 VAL 63 HG23 VAL 63 -10.856 -1.714 1.012 486 H VAL 64 H VAL 64 -6.499 -0.273 2.942 487 HA VAL 64 HA VAL 64 -6.723 2.602 3.416 488 HB VAL 64 HB VAL 64 -6.792 1.584 5.650 489 HG11 VAL 64 HG11 VAL 64 -5.495 -0.464 4.979 490 HG12 VAL 64 HG12 VAL 64 -5.036 0.249 6.526 491 HG13 VAL 64 HG13 VAL 64 -4.033 0.515 5.100 492 HG21 VAL 64 HG21 VAL 64 -5.814 3.727 5.593 493 HG22 VAL 64 HG22 VAL 64 -4.315 3.111 4.896 494 HG23 VAL 64 HG23 VAL 64 -4.727 2.740 6.570 495 H ILE 65 H ILE 65 -5.211 3.679 2.332 496 HA ILE 65 HA ILE 65 -3.118 2.225 0.966 497 HB ILE 65 HB ILE 65 -3.492 5.213 0.947 498 HG12 ILE 65 HG12 ILE 65 -5.652 4.111 0.435 499 HG13 ILE 65 HG13 ILE 65 -4.988 4.961 -0.957 500 HG21 ILE 65 HG21 ILE 65 -1.958 3.235 -0.613 501 HG22 ILE 65 HG22 ILE 65 -1.591 4.918 -0.234 502 HG23 ILE 65 HG23 ILE 65 -2.720 4.533 -1.533 503 HD11 ILE 65 HD11 ILE 65 -3.984 2.568 -1.467 504 HD12 ILE 65 HD12 ILE 65 -5.613 3.031 -1.961 505 HD13 ILE 65 HD13 ILE 65 -5.374 2.063 -0.506 506 H ALA 66 H ALA 66 -1.266 1.779 1.958 507 HA ALA 66 HA ALA 66 -0.196 3.732 3.889 508 HB1 ALA 66 HB1 ALA 66 -0.822 1.183 4.444 509 HB2 ALA 66 HB2 ALA 66 0.473 2.062 5.257 510 HB3 ALA 66 HB3 ALA 66 0.849 0.971 3.923 511 H LYS 67 H LYS 67 1.649 4.716 3.402 512 HA LYS 67 HA LYS 67 3.259 3.639 1.185 513 HB2 LYS 67 HB2 LYS 67 4.152 6.035 1.092 514 HB3 LYS 67 HB3 LYS 67 2.502 5.771 0.544 515 HG2 LYS 67 HG2 LYS 67 1.606 6.665 2.561 516 HG3 LYS 67 HG3 LYS 67 3.202 6.717 3.312 517 HD2 LYS 67 HD2 LYS 67 2.977 8.173 0.768 518 HD3 LYS 67 HD3 LYS 67 2.006 8.826 2.088 519 HE2 LYS 67 HE2 LYS 67 3.972 8.977 3.498 520 HE3 LYS 67 HE3 LYS 67 4.959 8.232 2.241 521 HZ1 LYS 67 HZ1 LYS 67 5.226 10.628 2.264 522 HZ2 LYS 67 HZ2 LYS 67 3.566 10.847 2.025 523 HZ3 LYS 67 HZ3 LYS 67 4.507 10.132 0.815 524 H VAL 68 H VAL 68 5.359 3.153 1.488 525 HA VAL 68 HA VAL 68 6.721 4.074 3.903 526 HB VAL 68 HB VAL 68 5.713 1.934 4.546 527 HG11 VAL 68 HG11 VAL 68 7.237 0.859 2.181 528 HG12 VAL 68 HG12 VAL 68 5.492 0.840 2.435 529 HG13 VAL 68 HG13 VAL 68 6.542 -0.152 3.448 530 HG21 VAL 68 HG21 VAL 68 7.920 2.606 5.443 531 HG22 VAL 68 HG22 VAL 68 8.694 1.667 4.166 532 HG23 VAL 68 HG23 VAL 68 7.705 0.857 5.380 533 H ASP 69 H ASP 69 9.031 3.724 3.850 534 HA ASP 69 HA ASP 69 10.061 3.741 1.103 535 HB2 ASP 69 HB2 ASP 69 12.138 4.694 2.246 536 HB3 ASP 69 HB3 ASP 69 10.706 5.718 2.235 537 H ALA 70 H ALA 70 11.804 2.447 0.485 538 HA ALA 70 HA ALA 70 12.029 -0.038 1.948 539 HB1 ALA 70 HB1 ALA 70 12.800 0.922 -0.749 540 HB2 ALA 70 HB2 ALA 70 11.963 -0.553 -0.265 541 HB3 ALA 70 HB3 ALA 70 13.711 -0.428 -0.072 542 H THR 71 H THR 71 13.051 1.907 3.538 543 HA THR 71 HA THR 71 15.896 1.219 3.582 544 HB THR 71 HB THR 71 16.629 3.420 3.888 545 HG1 THR 71 HG1 THR 71 13.936 4.224 4.257 546 HG21 THR 71 HG21 THR 71 16.107 3.288 1.595 547 HG22 THR 71 HG22 THR 71 15.489 4.842 2.154 548 HG23 THR 71 HG23 THR 71 14.382 3.492 1.899 549 H ALA 72 H ALA 72 13.340 0.498 5.068 550 HA ALA 72 HA ALA 72 13.881 1.476 7.750 551 HB1 ALA 72 HB1 ALA 72 11.801 0.695 8.341 552 HB2 ALA 72 HB2 ALA 72 11.839 -0.618 7.165 553 HB3 ALA 72 HB3 ALA 72 11.559 1.039 6.628 554 H ASN 73 H ASN 73 13.454 -0.462 9.451 555 HA ASN 73 HA ASN 73 15.535 -2.456 8.850 556 HB2 ASN 73 HB2 ASN 73 14.654 -1.808 11.643 557 HB3 ASN 73 HB3 ASN 73 16.206 -2.422 11.081 558 HD21 ASN 73 HD21 ASN 73 14.126 0.418 11.111 559 HD22 ASN 73 HD22 ASN 73 15.401 1.579 11.009 560 H ASP 74 H ASP 74 15.276 -4.595 9.755 561 HA ASP 74 HA ASP 74 14.117 -6.539 9.984 562 HB2 ASP 74 HB2 ASP 74 13.358 -4.939 12.041 563 HB3 ASP 74 HB3 ASP 74 11.796 -5.275 11.303 564 H VAL 75 H VAL 75 13.724 -5.206 7.555 565 HA VAL 75 HA VAL 75 10.945 -5.968 6.937 566 HB VAL 75 HB VAL 75 11.182 -3.543 6.776 567 HG11 VAL 75 HG11 VAL 75 13.735 -4.016 5.960 568 HG12 VAL 75 HG12 VAL 75 12.901 -2.469 5.819 569 HG13 VAL 75 HG13 VAL 75 12.953 -3.571 4.443 570 HG21 VAL 75 HG21 VAL 75 10.905 -3.611 4.043 571 HG22 VAL 75 HG22 VAL 75 9.622 -3.905 5.217 572 HG23 VAL 75 HG23 VAL 75 10.506 -5.261 4.519 573 HA PRO 76 HA PRO 76 13.843 -8.602 4.445 574 HB2 PRO 76 HB2 PRO 76 12.409 -10.888 4.734 575 HB3 PRO 76 HB3 PRO 76 13.609 -10.353 5.916 576 HG2 PRO 76 HG2 PRO 76 10.629 -10.067 5.981 577 HG3 PRO 76 HG3 PRO 76 11.737 -10.530 7.286 578 HD2 PRO 76 HD2 PRO 76 10.730 -8.029 7.050 579 HD3 PRO 76 HD3 PRO 76 12.345 -8.348 7.714 580 H ASP 77 H ASP 77 12.907 -7.149 2.759 581 HA ASP 77 HA ASP 77 10.887 -8.603 1.185 582 HB2 ASP 77 HB2 ASP 77 10.133 -6.354 0.335 583 HB3 ASP 77 HB3 ASP 77 9.769 -6.664 2.029 584 H GLU 78 H GLU 78 12.489 -9.608 -0.056 585 HA GLU 78 HA GLU 78 14.413 -7.979 -1.492 586 HB2 GLU 78 HB2 GLU 78 13.941 -10.889 -1.103 587 HB3 GLU 78 HB3 GLU 78 14.755 -10.399 -2.582 588 HG2 GLU 78 HG2 GLU 78 16.259 -9.023 -0.951 589 HG3 GLU 78 HG3 GLU 78 15.660 -10.172 0.245 590 H ILE 79 H ILE 79 13.936 -7.011 -3.347 591 HA ILE 79 HA ILE 79 12.094 -8.338 -5.207 592 HB ILE 79 HB ILE 79 11.027 -6.192 -5.748 593 HG12 ILE 79 HG12 ILE 79 12.954 -4.785 -4.924 594 HG13 ILE 79 HG13 ILE 79 11.362 -4.222 -4.431 595 HG21 ILE 79 HG21 ILE 79 9.523 -7.106 -4.379 596 HG22 ILE 79 HG22 ILE 79 10.126 -5.988 -3.156 597 HG23 ILE 79 HG23 ILE 79 10.757 -7.632 -3.235 598 HD11 ILE 79 HD11 ILE 79 13.617 -4.919 -2.823 599 HD12 ILE 79 HD12 ILE 79 12.243 -5.941 -2.400 600 HD13 ILE 79 HD13 ILE 79 12.086 -4.185 -2.345 601 H GLN 80 H GLN 80 12.240 -7.529 -7.420 602 HA GLN 80 HA GLN 80 14.961 -7.220 -8.211 603 HB2 GLN 80 HB2 GLN 80 13.933 -7.012 -10.530 604 HB3 GLN 80 HB3 GLN 80 13.634 -8.510 -9.662 605 HG2 GLN 80 HG2 GLN 80 11.459 -8.232 -9.907 606 HG3 GLN 80 HG3 GLN 80 11.540 -6.705 -9.033 607 HE21 GLN 80 HE21 GLN 80 10.865 -8.179 -11.958 608 HE22 GLN 80 HE22 GLN 80 10.799 -6.768 -12.954 609 H GLY 81 H GLY 81 12.134 -5.048 -8.276 610 HA2 GLY 81 HA2 GLY 81 14.032 -2.835 -8.775 611 HA3 GLY 81 HA3 GLY 81 12.434 -2.885 -9.501 612 H PHE 82 H PHE 82 13.866 -1.002 -7.594 613 HA PHE 82 HA PHE 82 12.900 -1.013 -5.073 614 HB2 PHE 82 HB2 PHE 82 13.910 0.978 -6.888 615 HB3 PHE 82 HB3 PHE 82 12.762 1.641 -5.718 616 HD1 PHE 82 HD2 PHE 82 13.049 0.473 -3.327 617 HD2 PHE 82 HD1 PHE 82 16.079 1.080 -6.244 618 HE1 PHE 82 HE2 PHE 82 14.780 0.355 -1.563 619 HE2 PHE 82 HE1 PHE 82 17.798 0.939 -4.521 620 HZ PHE 82 HZ PHE 82 17.165 0.589 -2.157 621 HA PRO 83 HA PRO 83 9.022 1.097 -5.964 622 HB2 PRO 83 HB2 PRO 83 7.827 0.954 -8.413 623 HB3 PRO 83 HB3 PRO 83 8.932 2.250 -7.946 624 HG2 PRO 83 HG2 PRO 83 9.466 -0.189 -9.583 625 HG3 PRO 83 HG3 PRO 83 10.051 1.468 -9.817 626 HD2 PRO 83 HD2 PRO 83 11.541 -0.525 -8.673 627 HD3 PRO 83 HD3 PRO 83 11.771 1.200 -8.323 628 H THR 84 H THR 84 9.078 -0.952 -4.781 629 HA THR 84 HA THR 84 7.724 -3.215 -5.957 630 HB THR 84 HB THR 84 9.543 -2.734 -3.798 631 HG1 THR 84 HG1 THR 84 8.448 -5.027 -5.039 632 HG21 THR 84 HG21 THR 84 8.687 -4.120 -2.052 633 HG22 THR 84 HG22 THR 84 7.201 -4.430 -2.949 634 HG23 THR 84 HG23 THR 84 7.536 -2.813 -2.331 635 H ILE 85 H ILE 85 5.716 -3.982 -5.405 636 HA ILE 85 HA ILE 85 4.072 -2.260 -3.669 637 HB ILE 85 HB ILE 85 2.951 -3.669 -6.075 638 HG12 ILE 85 HG12 ILE 85 3.845 -0.782 -5.984 639 HG13 ILE 85 HG13 ILE 85 4.759 -2.070 -6.764 640 HG21 ILE 85 HG21 ILE 85 1.471 -2.892 -4.208 641 HG22 ILE 85 HG22 ILE 85 1.088 -2.221 -5.793 642 HG23 ILE 85 HG23 ILE 85 1.950 -1.242 -4.606 643 HD11 ILE 85 HD11 ILE 85 3.316 -2.218 -8.513 644 HD12 ILE 85 HD12 ILE 85 3.116 -0.514 -8.108 645 HD13 ILE 85 HD13 ILE 85 1.928 -1.696 -7.560 646 H LYS 86 H LYS 86 3.581 -3.409 -1.919 647 HA LYS 86 HA LYS 86 3.127 -6.297 -2.190 648 HB2 LYS 86 HB2 LYS 86 3.784 -4.579 0.203 649 HB3 LYS 86 HB3 LYS 86 3.330 -6.272 0.332 650 HG2 LYS 86 HG2 LYS 86 5.271 -6.684 -1.317 651 HG3 LYS 86 HG3 LYS 86 5.800 -5.068 -0.843 652 HD2 LYS 86 HD2 LYS 86 6.201 -5.703 1.349 653 HD3 LYS 86 HD3 LYS 86 5.119 -7.094 1.249 654 HE2 LYS 86 HE2 LYS 86 7.603 -7.596 1.303 655 HE3 LYS 86 HE3 LYS 86 6.676 -8.347 0.005 656 HZ1 LYS 86 HZ1 LYS 86 8.790 -7.391 -0.756 657 HZ2 LYS 86 HZ2 LYS 86 8.267 -5.855 -0.279 658 HZ3 LYS 86 HZ3 LYS 86 7.458 -6.676 -1.516 659 H LEU 87 H LEU 87 1.145 -7.113 -2.006 660 HA LEU 87 HA LEU 87 -0.989 -5.345 -1.018 661 HB2 LEU 87 HB2 LEU 87 -0.763 -6.772 -3.408 662 HB3 LEU 87 HB3 LEU 87 -1.913 -7.687 -2.452 663 HG LEU 87 HG LEU 87 -2.967 -6.017 -3.956 664 HD11 LEU 87 HD11 LEU 87 -4.506 -5.120 -2.300 665 HD12 LEU 87 HD12 LEU 87 -3.362 -5.499 -1.013 666 HD13 LEU 87 HD13 LEU 87 -4.108 -6.800 -1.941 667 HD21 LEU 87 HD21 LEU 87 -1.089 -4.340 -3.629 668 HD22 LEU 87 HD22 LEU 87 -1.868 -3.922 -2.103 669 HD23 LEU 87 HD23 LEU 87 -2.732 -3.700 -3.625 670 H TYR 88 H TYR 88 -2.295 -5.972 0.608 671 HA TYR 88 HA TYR 88 -2.033 -8.713 1.637 672 HB2 TYR 88 HB2 TYR 88 -1.650 -6.133 3.111 673 HB3 TYR 88 HB3 TYR 88 -2.279 -7.539 3.963 674 HD1 TYR 88 HD1 TYR 88 -0.864 -9.769 3.497 675 HD2 TYR 88 HD2 TYR 88 0.627 -5.799 3.166 676 HE1 TYR 88 HE1 TYR 88 1.426 -10.610 3.808 677 HE2 TYR 88 HE2 TYR 88 2.922 -6.628 3.475 678 HH TYR 88 HH TYR 88 3.691 -9.985 3.397 679 HA PRO 89 HA PRO 89 -6.490 -7.786 1.181 680 HB2 PRO 89 HB2 PRO 89 -7.245 -10.332 0.686 681 HB3 PRO 89 HB3 PRO 89 -6.566 -9.286 -0.566 682 HG2 PRO 89 HG2 PRO 89 -5.227 -11.420 1.051 683 HG3 PRO 89 HG3 PRO 89 -5.087 -11.078 -0.683 684 HD2 PRO 89 HD2 PRO 89 -3.234 -10.276 1.136 685 HD3 PRO 89 HD3 PRO 89 -3.578 -9.374 -0.353 686 H ALA 90 H ALA 90 -8.127 -7.989 2.650 687 HA ALA 90 HA ALA 90 -7.450 -9.037 5.238 688 HB1 ALA 90 HB1 ALA 90 -9.043 -7.664 6.001 689 HB2 ALA 90 HB2 ALA 90 -10.235 -8.252 4.842 690 HB3 ALA 90 HB3 ALA 90 -9.075 -7.014 4.362 691 H GLY 91 H GLY 91 -7.719 -11.077 5.841 692 HA2 GLY 91 HA2 GLY 91 -9.351 -12.848 6.287 693 HA3 GLY 91 HA3 GLY 91 -9.956 -12.600 4.656 694 H ALA 92 H ALA 92 -7.374 -12.397 3.409 695 HA ALA 92 HA ALA 92 -6.392 -15.154 3.754 696 HB1 ALA 92 HB1 ALA 92 -7.651 -15.161 1.745 697 HB2 ALA 92 HB2 ALA 92 -5.951 -15.126 1.276 698 HB3 ALA 92 HB3 ALA 92 -6.917 -13.653 1.200 699 H LYS 93 H LYS 93 -5.479 -12.313 4.588 700 HA LYS 93 HA LYS 93 -3.137 -11.651 3.221 701 HB2 LYS 93 HB2 LYS 93 -2.470 -10.532 5.383 702 HB3 LYS 93 HB3 LYS 93 -4.037 -10.063 4.744 703 HG2 LYS 93 HG2 LYS 93 -4.284 -10.322 7.081 704 HG3 LYS 93 HG3 LYS 93 -5.070 -11.710 6.330 705 HD2 LYS 93 HD2 LYS 93 -2.235 -12.118 6.957 706 HD3 LYS 93 HD3 LYS 93 -3.260 -11.846 8.367 707 HE2 LYS 93 HE2 LYS 93 -4.478 -13.758 8.023 708 HE3 LYS 93 HE3 LYS 93 -4.185 -13.761 6.285 709 HZ1 LYS 93 HZ1 LYS 93 -2.607 -14.907 8.430 710 HZ2 LYS 93 HZ2 LYS 93 -1.717 -14.135 7.217 711 HZ3 LYS 93 HZ3 LYS 93 -2.767 -15.400 6.819 712 H GLY 94 H GLY 94 -0.998 -11.622 4.843 713 HA2 GLY 94 HA2 GLY 94 0.386 -13.044 6.209 714 HA3 GLY 94 HA3 GLY 94 -0.536 -14.423 5.630 715 H GLN 95 H GLN 95 -0.300 -12.953 2.874 716 HA GLN 95 HA GLN 95 2.456 -13.796 2.293 717 HB2 GLN 95 HB2 GLN 95 1.447 -14.499 -0.001 718 HB3 GLN 95 HB3 GLN 95 1.303 -15.582 1.374 719 HG2 GLN 95 HG2 GLN 95 -0.816 -15.665 0.532 720 HG3 GLN 95 HG3 GLN 95 -0.988 -14.371 1.715 721 HE21 GLN 95 HE21 GLN 95 -1.875 -12.556 1.036 722 HE22 GLN 95 HE22 GLN 95 -2.021 -12.049 -0.609 723 HA PRO 96 HA PRO 96 2.382 -9.567 0.734 724 HB2 PRO 96 HB2 PRO 96 5.018 -9.487 0.048 725 HB3 PRO 96 HB3 PRO 96 4.437 -9.250 1.700 726 HG2 PRO 96 HG2 PRO 96 5.571 -11.708 0.425 727 HG3 PRO 96 HG3 PRO 96 5.886 -11.035 2.035 728 HD2 PRO 96 HD2 PRO 96 4.212 -13.116 1.649 729 HD3 PRO 96 HD3 PRO 96 3.937 -11.906 2.918 730 H VAL 97 H VAL 97 1.492 -9.219 -1.196 731 HA VAL 97 HA VAL 97 2.083 -10.894 -3.465 732 HB VAL 97 HB VAL 97 0.407 -8.383 -3.387 733 HG11 VAL 97 HG11 VAL 97 -0.226 -10.560 -5.257 734 HG12 VAL 97 HG12 VAL 97 1.291 -9.717 -5.571 735 HG13 VAL 97 HG13 VAL 97 -0.223 -8.814 -5.503 736 HG21 VAL 97 HG21 VAL 97 -0.745 -11.135 -3.290 737 HG22 VAL 97 HG22 VAL 97 -1.442 -9.606 -2.756 738 HG23 VAL 97 HG23 VAL 97 -0.174 -10.377 -1.803 739 H THR 98 H THR 98 4.000 -10.601 -4.428 740 HA THR 98 HA THR 98 5.189 -7.972 -4.641 741 HB THR 98 HB THR 98 6.761 -9.638 -6.163 742 HG1 THR 98 HG1 THR 98 5.835 -11.195 -3.991 743 HG21 THR 98 HG21 THR 98 7.835 -8.364 -4.551 744 HG22 THR 98 HG22 THR 98 8.047 -10.021 -3.985 745 HG23 THR 98 HG23 THR 98 6.825 -8.986 -3.246 746 H TYR 99 H TYR 99 4.432 -6.633 -6.138 747 HA TYR 99 HA TYR 99 3.045 -7.420 -8.463 748 HB2 TYR 99 HB2 TYR 99 4.130 -4.875 -7.380 749 HB3 TYR 99 HB3 TYR 99 3.786 -4.922 -9.105 750 HD1 TYR 99 HD2 TYR 99 1.978 -6.497 -6.251 751 HD2 TYR 99 HD1 TYR 99 1.871 -3.649 -9.409 752 HE1 TYR 99 HE2 TYR 99 -0.398 -6.072 -5.777 753 HE2 TYR 99 HE1 TYR 99 -0.505 -3.214 -8.944 754 HH TYR 99 HH TYR 99 -2.364 -5.202 -6.859 755 H SER 100 H SER 100 3.916 -6.204 -10.624 756 HA SER 100 HA SER 100 6.587 -7.344 -11.124 757 HB2 SER 100 HB2 SER 100 5.768 -7.525 -13.535 758 HB3 SER 100 HB3 SER 100 5.034 -8.634 -12.377 759 HG SER 100 HG SER 100 3.215 -7.346 -12.326 760 H GLY 101 H GLY 101 5.495 -4.531 -10.387 761 HA2 GLY 101 HA2 GLY 101 7.218 -2.763 -11.013 762 HA3 GLY 101 HA3 GLY 101 6.686 -3.076 -12.658 763 H SER 102 H SER 102 6.508 -0.796 -10.497 764 HA SER 102 HA SER 102 3.638 -0.312 -10.538 765 HB2 SER 102 HB2 SER 102 5.253 0.165 -8.556 766 HB3 SER 102 HB3 SER 102 5.677 1.617 -9.461 767 HG SER 102 HG SER 102 3.694 1.393 -7.846 768 H ARG 103 H ARG 103 2.835 1.852 -11.200 769 HA ARG 103 HA ARG 103 4.409 3.377 -13.060 770 HB2 ARG 103 HB2 ARG 103 3.331 1.214 -14.206 771 HB3 ARG 103 HB3 ARG 103 1.944 2.290 -14.316 772 HG2 ARG 103 HG2 ARG 103 2.918 3.615 -15.864 773 HG3 ARG 103 HG3 ARG 103 4.535 3.399 -15.192 774 HD2 ARG 103 1HD ARG 103 4.752 1.252 -16.210 775 HD3 ARG 103 2HD ARG 103 3.056 1.247 -16.691 776 HE ARG 103 HE ARG 103 5.238 2.514 -18.055 777 HH11 ARG 103 HH11 ARG 103 1.793 2.602 -17.507 778 HH12 ARG 103 HH12 ARG 103 1.451 3.418 -18.996 779 HH21 ARG 103 HH21 ARG 103 4.790 3.588 -20.013 780 HH22 ARG 103 HH22 ARG 103 3.152 3.978 -20.418 781 H THR 104 H THR 104 0.927 2.700 -12.655 782 HA THR 104 HA THR 104 0.576 5.484 -11.772 783 HB THR 104 HB THR 104 -1.395 4.100 -13.581 784 HG1 THR 104 HG1 THR 104 -0.423 5.311 -15.272 785 HG21 THR 104 HG21 THR 104 -2.192 6.295 -14.079 786 HG22 THR 104 HG22 THR 104 -0.903 7.030 -13.126 787 HG23 THR 104 HG23 THR 104 -2.164 6.090 -12.328 788 H VAL 105 H VAL 105 -1.346 5.873 -10.516 789 HA VAL 105 HA VAL 105 -1.825 3.845 -8.595 790 HB VAL 105 HB VAL 105 -3.521 5.402 -7.673 791 HG11 VAL 105 HG11 VAL 105 -1.643 6.047 -6.641 792 HG12 VAL 105 HG12 VAL 105 -1.675 7.426 -7.740 793 HG13 VAL 105 HG13 VAL 105 -0.702 6.008 -8.132 794 HG21 VAL 105 HG21 VAL 105 -3.169 6.635 -10.319 795 HG22 VAL 105 HG22 VAL 105 -3.219 7.764 -8.965 796 HG23 VAL 105 HG23 VAL 105 -4.559 6.649 -9.234 797 H GLU 106 H GLU 106 -3.511 4.886 -11.473 798 HA GLU 106 HA GLU 106 -6.027 3.766 -10.979 799 HB2 GLU 106 HB2 GLU 106 -6.360 3.842 -13.388 800 HB3 GLU 106 HB3 GLU 106 -5.560 5.308 -12.839 801 HG2 GLU 106 HG2 GLU 106 -3.385 4.024 -13.476 802 HG3 GLU 106 HG3 GLU 106 -4.480 3.052 -14.459 803 H ASP 107 H ASP 107 -3.039 2.327 -12.119 804 HA ASP 107 HA ASP 107 -4.237 -0.173 -12.853 805 HB2 ASP 107 HB2 ASP 107 -2.127 0.686 -13.866 806 HB3 ASP 107 HB3 ASP 107 -1.324 0.443 -12.318 807 H LEU 108 H LEU 108 -2.839 1.188 -9.967 808 HA LEU 108 HA LEU 108 -2.452 -1.282 -8.596 809 HB2 LEU 108 HB2 LEU 108 -1.588 1.229 -8.169 810 HB3 LEU 108 HB3 LEU 108 -2.926 1.190 -7.037 811 HG LEU 108 HG LEU 108 -1.010 -1.080 -6.951 812 HD11 LEU 108 HD11 LEU 108 0.716 0.387 -6.913 813 HD12 LEU 108 HD12 LEU 108 0.218 0.540 -5.228 814 HD13 LEU 108 HD13 LEU 108 -0.298 1.741 -6.413 815 HD21 LEU 108 HD21 LEU 108 -1.437 -0.333 -4.420 816 HD22 LEU 108 HD22 LEU 108 -2.539 -1.385 -5.309 817 HD23 LEU 108 HD23 LEU 108 -2.890 0.337 -5.162 818 H ILE 109 H ILE 109 -4.949 1.246 -8.394 819 HA ILE 109 HA ILE 109 -6.545 0.030 -6.452 820 HB ILE 109 HB ILE 109 -6.860 2.353 -7.117 821 HG12 ILE 109 HG12 ILE 109 -9.271 0.578 -7.552 822 HG13 ILE 109 HG13 ILE 109 -8.742 1.299 -6.036 823 HG21 ILE 109 HG21 ILE 109 -7.663 3.047 -9.203 824 HG22 ILE 109 HG22 ILE 109 -8.167 1.417 -9.651 825 HG23 ILE 109 HG23 ILE 109 -6.451 1.822 -9.579 826 HD11 ILE 109 HD11 ILE 109 -10.486 2.663 -6.647 827 HD12 ILE 109 HD12 ILE 109 -10.097 2.569 -8.365 828 HD13 ILE 109 HD13 ILE 109 -9.099 3.544 -7.286 829 H LYS 110 H LYS 110 -6.692 -0.206 -9.996 830 HA LYS 110 HA LYS 110 -8.975 -1.797 -10.185 831 HB2 LYS 110 HB2 LYS 110 -7.899 -0.681 -12.104 832 HB3 LYS 110 HB3 LYS 110 -6.555 -1.810 -11.997 833 HG2 LYS 110 HG2 LYS 110 -8.594 -3.546 -12.189 834 HG3 LYS 110 HG3 LYS 110 -9.264 -2.183 -13.088 835 HD2 LYS 110 HD2 LYS 110 -8.146 -3.503 -14.688 836 HD3 LYS 110 HD3 LYS 110 -7.069 -2.142 -14.368 837 HE2 LYS 110 HE2 LYS 110 -5.488 -3.447 -13.429 838 HE3 LYS 110 HE3 LYS 110 -6.671 -4.495 -12.647 839 HZ1 LYS 110 HZ1 LYS 110 -6.464 -4.665 -15.552 840 HZ2 LYS 110 HZ2 LYS 110 -6.744 -5.884 -14.414 841 HZ3 LYS 110 HZ3 LYS 110 -5.176 -5.300 -14.657 842 H PHE 111 H PHE 111 -5.585 -2.706 -9.758 843 HA PHE 111 HA PHE 111 -5.964 -5.495 -9.994 844 HB2 PHE 111 HB2 PHE 111 -3.786 -3.899 -9.851 845 HB3 PHE 111 HB3 PHE 111 -3.802 -4.544 -8.213 846 HD1 PHE 111 HD1 PHE 111 -3.607 -5.437 -11.782 847 HD2 PHE 111 HD2 PHE 111 -3.194 -6.787 -7.768 848 HE1 PHE 111 HE1 PHE 111 -2.539 -7.501 -12.591 849 HE2 PHE 111 HE2 PHE 111 -2.123 -8.853 -8.569 850 HZ PHE 111 HZ PHE 111 -1.794 -9.212 -10.983 851 H ILE 112 H ILE 112 -5.803 -3.357 -7.160 852 HA ILE 112 HA ILE 112 -5.997 -5.259 -5.155 853 HB ILE 112 HB ILE 112 -7.246 -2.507 -5.145 854 HG12 ILE 112 HG12 ILE 112 -4.626 -3.120 -3.858 855 HG13 ILE 112 HG13 ILE 112 -4.660 -2.938 -5.608 856 HG21 ILE 112 HG21 ILE 112 -6.507 -2.954 -2.598 857 HG22 ILE 112 HG22 ILE 112 -6.913 -4.598 -3.091 858 HG23 ILE 112 HG23 ILE 112 -8.116 -3.315 -3.223 859 HD11 ILE 112 HD11 ILE 112 -4.294 -0.914 -3.872 860 HD12 ILE 112 HD12 ILE 112 -6.040 -0.828 -4.108 861 HD13 ILE 112 HD13 ILE 112 -4.956 -0.720 -5.495 862 H ALA 113 H ALA 113 -8.468 -4.013 -7.283 863 HA ALA 113 HA ALA 113 -10.657 -5.100 -5.760 864 HB1 ALA 113 HB1 ALA 113 -10.944 -4.338 -8.626 865 HB2 ALA 113 HB2 ALA 113 -10.621 -3.080 -7.433 866 HB3 ALA 113 HB3 ALA 113 -12.055 -4.097 -7.277 867 H GLU 114 H GLU 114 -8.626 -6.119 -8.409 868 HA GLU 114 HA GLU 114 -10.294 -8.352 -9.136 869 HB2 GLU 114 HB2 GLU 114 -7.444 -7.689 -9.897 870 HB3 GLU 114 HB3 GLU 114 -8.410 -8.974 -10.610 871 HG2 GLU 114 HG2 GLU 114 -9.482 -6.204 -10.659 872 HG3 GLU 114 HG3 GLU 114 -8.173 -6.625 -11.762 873 H ASN 115 H ASN 115 -7.618 -7.759 -6.992 874 HA ASN 115 HA ASN 115 -7.535 -10.629 -6.330 875 HB2 ASN 115 HB2 ASN 115 -5.364 -8.609 -5.756 876 HB3 ASN 115 HB3 ASN 115 -5.260 -10.363 -5.627 877 HD21 ASN 115 HD21 ASN 115 -5.909 -7.795 -7.974 878 HD22 ASN 115 HD22 ASN 115 -5.136 -8.578 -9.306 879 H GLY 116 H GLY 116 -9.309 -8.392 -5.320 880 HA2 GLY 116 HA2 GLY 116 -8.539 -8.474 -2.474 881 HA3 GLY 116 HA3 GLY 116 -9.582 -7.260 -3.198 882 H LYS 117 H LYS 117 -10.013 -9.063 -0.893 883 HA LYS 117 HA LYS 117 -12.008 -10.959 -1.746 884 HB2 LYS 117 HB2 LYS 117 -10.535 -11.332 0.231 885 HB3 LYS 117 HB3 LYS 117 -11.359 -10.012 1.050 886 HG2 LYS 117 HG2 LYS 117 -13.201 -11.244 1.480 887 HG3 LYS 117 HG3 LYS 117 -13.075 -12.159 -0.024 888 HD2 LYS 117 HD2 LYS 117 -11.022 -13.263 1.049 889 HD3 LYS 117 HD3 LYS 117 -11.621 -12.592 2.567 890 HE2 LYS 117 HE2 LYS 117 -12.423 -14.846 2.346 891 HE3 LYS 117 HE3 LYS 117 -13.782 -13.738 2.165 892 HZ1 LYS 117 HZ1 LYS 117 -12.396 -14.562 -0.269 893 HZ2 LYS 117 HZ2 LYS 117 -14.041 -14.263 -0.009 894 HZ3 LYS 117 HZ3 LYS 117 -13.358 -15.724 0.500 895 H TYR 118 H TYR 118 -11.934 -7.705 -0.472 896 HA TYR 118 HA TYR 118 -14.740 -7.588 0.109 897 HB2 TYR 118 HB2 TYR 118 -12.506 -5.589 0.026 898 HB3 TYR 118 HB3 TYR 118 -14.175 -5.035 0.118 899 HD1 TYR 118 HD2 TYR 118 -15.603 -5.863 2.059 900 HD2 TYR 118 HD1 TYR 118 -11.372 -6.299 1.952 901 HE1 TYR 118 HE2 TYR 118 -15.581 -6.190 4.496 902 HE2 TYR 118 HE1 TYR 118 -11.339 -6.629 4.389 903 HH TYR 118 HH TYR 118 -12.710 -6.123 6.335 904 H LYS 119 H LYS 119 -12.695 -6.829 -2.624 905 HA LYS 119 HA LYS 119 -14.913 -5.602 -4.068 906 HB2 LYS 119 HB2 LYS 119 -11.971 -5.725 -4.405 907 HB3 LYS 119 HB3 LYS 119 -12.925 -5.632 -5.879 908 HG2 LYS 119 HG2 LYS 119 -12.623 -3.417 -5.488 909 HG3 LYS 119 HG3 LYS 119 -14.107 -3.668 -4.566 910 HD2 LYS 119 HD2 LYS 119 -12.929 -3.748 -2.515 911 HD3 LYS 119 HD3 LYS 119 -11.372 -3.894 -3.332 912 HE2 LYS 119 HE2 LYS 119 -11.700 -1.643 -2.444 913 HE3 LYS 119 HE3 LYS 119 -11.606 -1.630 -4.205 914 HZ1 LYS 119 HZ1 LYS 119 -13.972 -1.244 -2.483 915 HZ2 LYS 119 HZ2 LYS 119 -14.145 -1.725 -4.095 916 HZ3 LYS 119 HZ3 LYS 119 -13.393 -0.255 -3.728 917 H ALA 120 H ALA 120 -13.255 -8.619 -3.818 918 HA ALA 120 HA ALA 120 -15.028 -9.742 -5.846 919 HB1 ALA 120 HB1 ALA 120 -12.045 -10.185 -5.885 920 HB2 ALA 120 HB2 ALA 120 -12.958 -9.220 -7.044 921 HB3 ALA 120 HB3 ALA 120 -13.225 -10.960 -6.941 922 H ALA 121 H ALA 121 -15.101 -12.119 -5.766 923 HA ALA 121 HA ALA 121 -15.399 -14.070 -4.634 924 HB1 ALA 121 HB1 ALA 121 -13.204 -13.459 -2.727 925 HB2 ALA 121 HB2 ALA 121 -12.803 -13.602 -4.439 926 HB3 ALA 121 HB3 ALA 121 -13.568 -14.950 -3.597 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -0.295 13.958 15.120 2 H2 GLY 1 2H GLY 1 -0.795 15.390 15.869 3 H3 GLY 1 3H GLY 1 0.573 14.572 16.437 4 HA2 GLY 1 HA3 GLY 1 1.267 16.482 15.175 5 HA3 GLY 1 HA2 GLY 1 1.723 15.001 14.346 6 HA PRO 2 HA PRO 2 -0.059 16.414 10.577 7 HB2 PRO 2 HB2 PRO 2 -1.354 13.733 10.418 8 HB3 PRO 2 HB3 PRO 2 -0.354 14.572 9.227 9 HG2 PRO 2 HG2 PRO 2 0.643 12.561 10.656 10 HG3 PRO 2 HG3 PRO 2 1.628 13.989 10.284 11 HD2 PRO 2 HD2 PRO 2 0.296 13.216 12.840 12 HD3 PRO 2 HD3 PRO 2 1.846 14.040 12.577 13 H LEU 3 H LEU 3 -2.309 16.202 9.368 14 HA LEU 3 HA LEU 3 -4.311 17.049 11.316 15 HB2 LEU 3 HB2 LEU 3 -3.569 18.183 8.999 16 HB3 LEU 3 HB3 LEU 3 -4.868 17.165 8.407 17 HG LEU 3 HG LEU 3 -6.424 18.229 9.989 18 HD11 LEU 3 HD11 LEU 3 -5.353 20.515 10.869 19 HD12 LEU 3 HD12 LEU 3 -3.921 19.487 10.927 20 HD13 LEU 3 HD13 LEU 3 -5.371 19.031 11.822 21 HD21 LEU 3 HD21 LEU 3 -4.964 19.715 7.892 22 HD22 LEU 3 HD22 LEU 3 -6.010 20.661 8.952 23 HD23 LEU 3 HD23 LEU 3 -6.678 19.319 8.022 24 H GLY 4 H GLY 4 -4.067 14.882 8.498 25 HA2 GLY 4 HA2 GLY 4 -4.925 12.635 8.606 26 HA3 GLY 4 HA3 GLY 4 -6.136 13.198 9.749 27 H SER 5 H SER 5 -7.070 15.454 8.410 28 HA SER 5 HA SER 5 -8.802 14.216 6.488 29 HB2 SER 5 HB2 SER 5 -8.540 17.065 7.464 30 HB3 SER 5 HB3 SER 5 -9.747 16.553 6.285 31 HG SER 5 HG SER 5 -10.637 16.489 8.348 32 H GLU 6 H GLU 6 -5.983 16.275 6.382 33 HA GLU 6 HA GLU 6 -6.261 16.651 3.498 34 HB2 GLU 6 HB2 GLU 6 -5.619 18.567 4.964 35 HB3 GLU 6 HB3 GLU 6 -4.129 17.719 5.355 36 HG2 GLU 6 HG2 GLU 6 -3.280 17.965 3.201 37 HG3 GLU 6 HG3 GLU 6 -4.865 18.326 2.518 38 H GLY 7 H GLY 7 -4.376 14.893 5.848 39 HA2 GLY 7 HA2 GLY 7 -2.620 13.882 3.712 40 HA3 GLY 7 HA3 GLY 7 -2.289 13.779 5.435 41 HA PRO 8 HA PRO 8 -5.492 10.326 4.182 42 HB2 PRO 8 HB2 PRO 8 -5.151 9.400 1.655 43 HB3 PRO 8 HB3 PRO 8 -6.291 10.690 2.058 44 HG2 PRO 8 HG2 PRO 8 -3.529 10.890 0.918 45 HG3 PRO 8 HG3 PRO 8 -4.997 11.773 0.456 46 HD2 PRO 8 HD2 PRO 8 -3.083 12.855 2.036 47 HD3 PRO 8 HD3 PRO 8 -4.802 13.262 2.206 48 H VAL 9 H VAL 9 -2.190 10.563 3.055 49 HA VAL 9 HA VAL 9 -1.512 7.867 2.871 50 HB VAL 9 HB VAL 9 0.816 8.579 3.343 51 HG11 VAL 9 HG11 VAL 9 0.489 8.815 1.114 52 HG12 VAL 9 HG12 VAL 9 0.692 10.522 1.507 53 HG13 VAL 9 HG13 VAL 9 -0.926 9.847 1.319 54 HG21 VAL 9 HG21 VAL 9 1.321 10.914 3.760 55 HG22 VAL 9 HG22 VAL 9 0.279 10.285 5.036 56 HG23 VAL 9 HG23 VAL 9 -0.398 11.308 3.769 57 H THR 10 H THR 10 -0.696 6.367 4.311 58 HA THR 10 HA THR 10 -1.023 7.030 7.164 59 HB THR 10 HB THR 10 -1.479 4.360 5.820 60 HG1 THR 10 HG1 THR 10 -3.632 4.769 6.143 61 HG21 THR 10 HG21 THR 10 -0.719 4.260 8.207 62 HG22 THR 10 HG22 THR 10 -2.296 3.542 7.877 63 HG23 THR 10 HG23 THR 10 -2.192 5.133 8.631 64 H VAL 11 H VAL 11 0.499 6.289 8.613 65 HA VAL 11 HA VAL 11 3.110 5.764 7.511 66 HB VAL 11 HB VAL 11 2.315 5.809 10.423 67 HG11 VAL 11 HG11 VAL 11 4.846 6.756 10.287 68 HG12 VAL 11 HG12 VAL 11 4.853 5.602 8.953 69 HG13 VAL 11 HG13 VAL 11 4.434 5.066 10.580 70 HG21 VAL 11 HG21 VAL 11 2.665 7.989 8.467 71 HG22 VAL 11 HG22 VAL 11 3.465 8.209 10.023 72 HG23 VAL 11 HG23 VAL 11 1.723 7.939 9.957 73 H VAL 12 H VAL 12 4.335 3.919 7.732 74 HA VAL 12 HA VAL 12 3.157 1.595 9.057 75 HB VAL 12 HB VAL 12 4.137 1.438 6.208 76 HG11 VAL 12 HG11 VAL 12 3.003 -0.527 8.159 77 HG12 VAL 12 HG12 VAL 12 4.440 -0.662 7.148 78 HG13 VAL 12 HG13 VAL 12 2.837 -0.784 6.423 79 HG21 VAL 12 HG21 VAL 12 1.287 1.362 7.192 80 HG22 VAL 12 HG22 VAL 12 1.834 1.221 5.522 81 HG23 VAL 12 HG23 VAL 12 2.040 2.741 6.392 82 H VAL 13 H VAL 13 4.780 1.459 10.547 83 HA VAL 13 HA VAL 13 7.542 1.281 9.560 84 HB VAL 13 HB VAL 13 7.169 2.918 11.350 85 HG11 VAL 13 HG11 VAL 13 6.730 1.941 13.675 86 HG12 VAL 13 HG12 VAL 13 6.100 0.534 12.819 87 HG13 VAL 13 HG13 VAL 13 5.358 2.116 12.582 88 HG21 VAL 13 HG21 VAL 13 9.009 2.319 12.721 89 HG22 VAL 13 HG22 VAL 13 9.314 1.610 11.135 90 HG23 VAL 13 HG23 VAL 13 8.734 0.597 12.457 91 H ALA 14 H ALA 14 8.938 -0.376 10.557 92 HA ALA 14 HA ALA 14 8.096 -2.936 10.137 93 HB1 ALA 14 HB1 ALA 14 10.338 -1.736 11.641 94 HB2 ALA 14 HB2 ALA 14 10.350 -2.884 10.302 95 HB3 ALA 14 HB3 ALA 14 9.999 -3.441 11.938 96 H LYS 15 H LYS 15 7.762 -1.069 13.094 97 HA LYS 15 HA LYS 15 6.824 -3.357 14.604 98 HB2 LYS 15 HB2 LYS 15 6.850 -0.453 15.424 99 HB3 LYS 15 HB3 LYS 15 6.687 -1.850 16.480 100 HG2 LYS 15 HG2 LYS 15 9.100 -1.938 14.857 101 HG3 LYS 15 HG3 LYS 15 9.018 -0.518 15.900 102 HD2 LYS 15 HD2 LYS 15 8.318 -3.156 17.078 103 HD3 LYS 15 HD3 LYS 15 10.019 -2.825 16.744 104 HE2 LYS 15 HE2 LYS 15 9.983 -1.901 18.796 105 HE3 LYS 15 HE3 LYS 15 9.295 -0.518 17.946 106 HZ1 LYS 15 HZ1 LYS 15 7.102 -1.938 18.434 107 HZ2 LYS 15 HZ2 LYS 15 7.692 -0.753 19.486 108 HZ3 LYS 15 HZ3 LYS 15 8.033 -2.384 19.776 109 H ASN 16 H ASN 16 5.393 -1.239 12.435 110 HA ASN 16 HA ASN 16 2.765 -1.535 13.733 111 HB2 ASN 16 HB2 ASN 16 3.939 0.784 12.930 112 HB3 ASN 16 HB3 ASN 16 2.998 0.375 11.500 113 HD21 ASN 16 HD21 ASN 16 0.724 0.124 11.721 114 HD22 ASN 16 HD22 ASN 16 -0.126 0.918 12.998 115 H TYR 17 H TYR 17 4.395 -1.591 10.582 116 HA TYR 17 HA TYR 17 2.397 -2.274 8.889 117 HB2 TYR 17 HB2 TYR 17 4.054 -2.688 7.429 118 HB3 TYR 17 HB3 TYR 17 5.136 -2.247 8.743 119 HD1 TYR 17 HD1 TYR 17 3.666 -5.052 6.872 120 HD2 TYR 17 HD2 TYR 17 6.474 -3.912 9.854 121 HE1 TYR 17 HE1 TYR 17 4.664 -7.295 6.776 122 HE2 TYR 17 HE2 TYR 17 7.491 -6.151 9.761 123 HH TYR 17 HH TYR 17 7.193 -8.210 7.391 124 H ASN 18 H ASN 18 4.176 -4.579 10.932 125 HA ASN 18 HA ASN 18 3.032 -6.929 10.080 126 HB2 ASN 18 HB2 ASN 18 3.777 -7.912 12.085 127 HB3 ASN 18 HB3 ASN 18 4.882 -6.571 11.811 128 HD21 ASN 18 HD21 ASN 18 3.714 -4.420 12.768 129 HD22 ASN 18 HD22 ASN 18 3.310 -4.589 14.436 130 H GLU 19 H GLU 19 1.640 -4.492 12.182 131 HA GLU 19 HA GLU 19 -0.563 -6.116 13.023 132 HB2 GLU 19 HB2 GLU 19 0.375 -4.181 14.316 133 HB3 GLU 19 HB3 GLU 19 -0.346 -3.108 13.124 134 HG2 GLU 19 HG2 GLU 19 -2.206 -5.056 14.263 135 HG3 GLU 19 HG3 GLU 19 -1.532 -3.920 15.432 136 H ILE 20 H ILE 20 -0.438 -3.207 10.948 137 HA ILE 20 HA ILE 20 -3.078 -3.283 10.098 138 HB ILE 20 HB ILE 20 -2.323 -1.961 8.127 139 HG12 ILE 20 HG12 ILE 20 0.410 -2.522 9.304 140 HG13 ILE 20 HG13 ILE 20 -0.166 -2.963 7.700 141 HG21 ILE 20 HG21 ILE 20 -1.566 -0.039 9.432 142 HG22 ILE 20 HG22 ILE 20 -1.209 -1.102 10.794 143 HG23 ILE 20 HG23 ILE 20 -2.873 -0.896 10.249 144 HD11 ILE 20 HD11 ILE 20 -0.506 -0.258 7.703 145 HD12 ILE 20 HD12 ILE 20 0.881 -1.117 7.034 146 HD13 ILE 20 HD13 ILE 20 0.957 -0.457 8.668 147 H VAL 21 H VAL 21 -0.237 -4.732 8.545 148 HA VAL 21 HA VAL 21 -1.588 -5.760 6.299 149 HB VAL 21 HB VAL 21 0.381 -7.127 5.917 150 HG11 VAL 21 HG11 VAL 21 2.036 -5.386 5.776 151 HG12 VAL 21 HG12 VAL 21 1.206 -4.439 7.011 152 HG13 VAL 21 HG13 VAL 21 0.450 -4.693 5.438 153 HG21 VAL 21 HG21 VAL 21 1.146 -8.079 7.834 154 HG22 VAL 21 HG22 VAL 21 0.825 -6.645 8.807 155 HG23 VAL 21 HG23 VAL 21 2.250 -6.705 7.772 156 H LEU 22 H LEU 22 -0.904 -7.141 9.484 157 HA LEU 22 HA LEU 22 -1.907 -9.736 8.800 158 HB2 LEU 22 HB2 LEU 22 -1.170 -8.414 11.397 159 HB3 LEU 22 HB3 LEU 22 -1.861 -10.024 11.342 160 HG LEU 22 HG LEU 22 0.716 -9.203 9.997 161 HD11 LEU 22 HD11 LEU 22 0.086 -10.253 12.683 162 HD12 LEU 22 HD12 LEU 22 1.442 -9.269 12.134 163 HD13 LEU 22 HD13 LEU 22 1.440 -11.008 11.842 164 HD21 LEU 22 HD21 LEU 22 -0.931 -11.663 9.978 165 HD22 LEU 22 HD22 LEU 22 0.816 -11.867 10.107 166 HD23 LEU 22 HD23 LEU 22 0.129 -10.995 8.737 167 H ASP 23 H ASP 23 -3.424 -6.806 9.437 168 HA ASP 23 HA ASP 23 -5.673 -7.699 10.921 169 HB2 ASP 23 HB2 ASP 23 -4.717 -5.256 10.243 170 HB3 ASP 23 HB3 ASP 23 -6.041 -5.405 9.092 171 H ASP 24 H ASP 24 -6.861 -9.334 10.142 172 HA ASP 24 HA ASP 24 -7.394 -9.642 7.332 173 HB2 ASP 24 HB2 ASP 24 -8.824 -11.564 8.120 174 HB3 ASP 24 HB3 ASP 24 -7.131 -11.652 8.595 175 H THR 25 H THR 25 -8.805 -7.844 9.823 176 HA THR 25 HA THR 25 -11.538 -8.024 9.089 177 HB THR 25 HB THR 25 -11.764 -5.900 10.395 178 HG1 THR 25 HG1 THR 25 -9.863 -5.180 11.468 179 HG21 THR 25 HG21 THR 25 -10.187 -7.181 12.355 180 HG22 THR 25 HG22 THR 25 -10.956 -8.432 11.378 181 HG23 THR 25 HG23 THR 25 -11.940 -7.199 12.167 182 H LYS 26 H LYS 26 -8.949 -5.752 8.234 183 HA LYS 26 HA LYS 26 -10.623 -4.840 5.990 184 HB2 LYS 26 HB2 LYS 26 -8.724 -3.104 7.575 185 HB3 LYS 26 HB3 LYS 26 -9.752 -2.589 6.245 186 HG2 LYS 26 HG2 LYS 26 -11.693 -2.752 7.520 187 HG3 LYS 26 HG3 LYS 26 -10.923 -3.781 8.729 188 HD2 LYS 26 HD2 LYS 26 -9.578 -1.923 9.504 189 HD3 LYS 26 HD3 LYS 26 -10.230 -0.887 8.233 190 HE2 LYS 26 HE2 LYS 26 -12.143 -2.213 10.080 191 HE3 LYS 26 HE3 LYS 26 -11.197 -0.861 10.700 192 HZ1 LYS 26 HZ1 LYS 26 -12.055 0.543 8.985 193 HZ2 LYS 26 HZ2 LYS 26 -13.364 -0.206 9.750 194 HZ3 LYS 26 HZ3 LYS 26 -12.847 -0.751 8.234 195 H ASP 27 H ASP 27 -9.306 -3.804 4.232 196 HA ASP 27 HA ASP 27 -6.997 -5.496 3.689 197 HB2 ASP 27 HB2 ASP 27 -9.038 -4.194 2.101 198 HB3 ASP 27 HB3 ASP 27 -7.433 -3.809 1.489 199 H VAL 28 H VAL 28 -4.960 -4.699 3.103 200 HA VAL 28 HA VAL 28 -4.483 -1.845 3.617 201 HB VAL 28 HB VAL 28 -2.668 -4.028 4.642 202 HG11 VAL 28 HG11 VAL 28 -1.679 -1.793 4.103 203 HG12 VAL 28 HG12 VAL 28 -1.515 -2.283 5.789 204 HG13 VAL 28 HG13 VAL 28 -2.736 -1.096 5.331 205 HG21 VAL 28 HG21 VAL 28 -4.399 -4.323 6.099 206 HG22 VAL 28 HG22 VAL 28 -5.004 -2.680 5.887 207 HG23 VAL 28 HG23 VAL 28 -3.587 -2.974 6.895 208 H LEU 29 H LEU 29 -2.803 -0.910 2.468 209 HA LEU 29 HA LEU 29 -1.446 -2.617 0.492 210 HB2 LEU 29 HB2 LEU 29 -2.324 0.162 -0.204 211 HB3 LEU 29 HB3 LEU 29 -1.894 -1.159 -1.274 212 HG LEU 29 HG LEU 29 -4.375 -1.204 0.432 213 HD11 LEU 29 HD11 LEU 29 -5.042 0.522 -0.854 214 HD12 LEU 29 HD12 LEU 29 -5.310 -0.747 -2.048 215 HD13 LEU 29 HD13 LEU 29 -3.829 0.209 -2.094 216 HD21 LEU 29 HD21 LEU 29 -5.056 -3.002 -0.906 217 HD22 LEU 29 HD22 LEU 29 -3.355 -3.321 -0.570 218 HD23 LEU 29 HD23 LEU 29 -3.836 -2.665 -2.135 219 H ILE 30 H ILE 30 0.542 -2.595 1.428 220 HA ILE 30 HA ILE 30 1.730 0.001 2.114 221 HB ILE 30 HB ILE 30 1.822 -1.709 3.866 222 HG12 ILE 30 HG12 ILE 30 4.504 -1.052 2.629 223 HG13 ILE 30 HG13 ILE 30 3.615 -0.066 3.785 224 HG21 ILE 30 HG21 ILE 30 2.345 -3.842 3.501 225 HG22 ILE 30 HG22 ILE 30 3.828 -3.411 2.650 226 HG23 ILE 30 HG23 ILE 30 2.296 -3.468 1.779 227 HD11 ILE 30 HD11 ILE 30 5.090 -1.054 5.192 228 HD12 ILE 30 HD12 ILE 30 5.221 -2.514 4.211 229 HD13 ILE 30 HD13 ILE 30 3.811 -2.267 5.241 230 H GLU 31 H GLU 31 2.961 0.933 0.629 231 HA GLU 31 HA GLU 31 4.338 -0.768 -1.337 232 HB2 GLU 31 HB2 GLU 31 2.633 1.199 -1.902 233 HB3 GLU 31 HB3 GLU 31 4.090 2.170 -1.748 234 HG2 GLU 31 HG2 GLU 31 4.737 1.589 -3.776 235 HG3 GLU 31 HG3 GLU 31 4.666 -0.118 -3.347 236 H PHE 32 H PHE 32 6.480 -0.889 -1.312 237 HA PHE 32 HA PHE 32 7.962 0.812 0.538 238 HB2 PHE 32 HB2 PHE 32 8.501 -1.805 -0.813 239 HB3 PHE 32 HB3 PHE 32 9.853 -0.846 -0.219 240 HD1 PHE 32 HD1 PHE 32 9.981 -0.288 2.208 241 HD2 PHE 32 HD2 PHE 32 7.142 -3.049 0.650 242 HE1 PHE 32 HE1 PHE 32 9.633 -1.200 4.467 243 HE2 PHE 32 HE2 PHE 32 6.788 -3.966 2.905 244 HZ PHE 32 HZ PHE 32 8.034 -3.041 4.818 245 H TYR 33 H TYR 33 8.982 2.554 -0.150 246 HA TYR 33 HA TYR 33 10.175 2.562 -2.829 247 HB2 TYR 33 HB2 TYR 33 9.347 4.790 -3.294 248 HB3 TYR 33 HB3 TYR 33 7.984 3.739 -2.928 249 HD1 TYR 33 HD1 TYR 33 7.141 3.785 -0.461 250 HD2 TYR 33 HD2 TYR 33 9.546 6.829 -2.206 251 HE1 TYR 33 HE1 TYR 33 6.391 5.362 1.270 252 HE2 TYR 33 HE2 TYR 33 8.804 8.414 -0.479 253 HH TYR 33 HH TYR 33 7.882 8.392 1.767 254 H ALA 34 H ALA 34 11.572 4.651 -3.053 255 HA ALA 34 HA ALA 34 12.818 5.409 -0.522 256 HB1 ALA 34 HB1 ALA 34 14.838 4.479 -0.886 257 HB2 ALA 34 HB2 ALA 34 14.758 4.729 -2.630 258 HB3 ALA 34 HB3 ALA 34 13.919 3.363 -1.896 259 HA PRO 35 HA PRO 35 12.963 9.351 -2.535 260 HB2 PRO 35 HB2 PRO 35 14.910 10.555 -1.072 261 HB3 PRO 35 HB3 PRO 35 13.276 10.280 -0.458 262 HG2 PRO 35 HG2 PRO 35 15.772 8.701 0.024 263 HG3 PRO 35 HG3 PRO 35 14.510 9.178 1.175 264 HD2 PRO 35 HD2 PRO 35 14.640 6.696 0.100 265 HD3 PRO 35 HD3 PRO 35 13.102 7.471 0.531 266 H TRP 36 H TRP 36 16.130 7.898 -1.804 267 HA TRP 36 HA TRP 36 17.438 9.283 -3.954 268 HB2 TRP 36 HB2 TRP 36 19.406 7.983 -3.327 269 HB3 TRP 36 HB3 TRP 36 18.639 8.659 -1.893 270 HD1 TRP 36 HD1 TRP 36 16.397 6.010 -2.401 271 HE1 TRP 36 HE1 TRP 36 17.090 3.835 -1.213 272 HE3 TRP 36 HE3 TRP 36 21.319 7.090 -1.532 273 HZ2 TRP 36 HZ2 TRP 36 19.414 2.724 -0.061 274 HZ3 TRP 36 HZ3 TRP 36 22.708 5.416 -0.381 275 HH2 TRP 36 HH2 TRP 36 21.772 3.279 0.340 276 H CYS 37 H CYS 37 15.341 6.725 -3.928 277 HA CYS 37 HA CYS 37 16.408 4.768 -5.548 278 HB2 CYS 37 HB2 CYS 37 14.238 4.479 -4.544 279 HB3 CYS 37 HB3 CYS 37 13.591 5.856 -5.429 280 H GLY 38 H GLY 38 14.690 7.715 -6.573 281 HA2 GLY 38 HA2 GLY 38 15.298 9.002 -8.477 282 HA3 GLY 38 HA3 GLY 38 16.139 7.597 -9.123 283 H HIS 39 H HIS 39 14.099 5.703 -8.734 284 HA HIS 39 HA HIS 39 12.156 6.577 -10.760 285 HB2 HIS 39 HB2 HIS 39 13.836 4.482 -10.946 286 HB3 HIS 39 HB3 HIS 39 12.484 3.689 -10.143 287 HD1 HIS 39 HD1 HIS 39 12.377 6.301 -12.903 288 HD2 HIS 39 HD2 HIS 39 11.288 2.356 -12.183 289 HE1 HIS 39 HE1 HIS 39 11.111 5.570 -14.948 290 HE2 HIS 39 HE2 HIS 39 10.387 3.208 -14.453 291 H CYS 40 H CYS 40 12.419 6.123 -7.511 292 HA CYS 40 HA CYS 40 9.666 5.137 -7.216 293 HB2 CYS 40 HB2 CYS 40 11.749 5.344 -5.042 294 HB3 CYS 40 HB3 CYS 40 10.227 4.463 -4.994 295 H LYS 41 H LYS 41 11.711 7.878 -6.811 296 HA LYS 41 HA LYS 41 10.521 9.299 -4.777 297 HB2 LYS 41 HB2 LYS 41 12.447 9.834 -6.626 298 HB3 LYS 41 HB3 LYS 41 11.160 10.906 -7.163 299 HG2 LYS 41 HG2 LYS 41 11.161 11.399 -4.498 300 HG3 LYS 41 HG3 LYS 41 12.866 11.042 -4.781 301 HD2 LYS 41 HD2 LYS 41 13.191 12.928 -5.975 302 HD3 LYS 41 HD3 LYS 41 11.616 12.820 -6.764 303 HE2 LYS 41 HE2 LYS 41 11.409 14.724 -5.455 304 HE3 LYS 41 HE3 LYS 41 10.672 13.475 -4.452 305 HZ1 LYS 41 HZ1 LYS 41 13.115 14.984 -4.036 306 HZ2 LYS 41 HZ2 LYS 41 13.201 13.342 -3.637 307 HZ3 LYS 41 HZ3 LYS 41 12.039 14.330 -2.906 308 H ALA 42 H ALA 42 9.277 8.594 -7.940 309 HA ALA 42 HA ALA 42 7.201 10.588 -7.859 310 HB1 ALA 42 HB1 ALA 42 8.008 8.426 -9.729 311 HB2 ALA 42 HB2 ALA 42 7.694 10.133 -10.039 312 HB3 ALA 42 HB3 ALA 42 6.348 9.016 -9.809 313 H LEU 43 H LEU 43 7.620 7.353 -6.737 314 HA LEU 43 HA LEU 43 4.979 6.440 -6.688 315 HB2 LEU 43 HB2 LEU 43 7.393 5.426 -5.945 316 HB3 LEU 43 HB3 LEU 43 6.660 5.711 -4.379 317 HG LEU 43 HG LEU 43 5.643 3.921 -6.579 318 HD11 LEU 43 HD11 LEU 43 6.069 3.109 -3.751 319 HD12 LEU 43 HD12 LEU 43 7.471 3.292 -4.805 320 HD13 LEU 43 HD13 LEU 43 6.190 2.158 -5.231 321 HD21 LEU 43 HD21 LEU 43 3.705 3.470 -5.242 322 HD22 LEU 43 HD22 LEU 43 3.794 5.208 -5.528 323 HD23 LEU 43 HD23 LEU 43 4.278 4.545 -3.967 324 H ALA 44 H ALA 44 6.668 8.694 -4.638 325 HA ALA 44 HA ALA 44 4.916 8.648 -2.427 326 HB1 ALA 44 HB1 ALA 44 7.060 10.419 -3.410 327 HB2 ALA 44 HB2 ALA 44 6.801 9.725 -1.810 328 HB3 ALA 44 HB3 ALA 44 5.888 11.148 -2.312 329 HA PRO 45 HA PRO 45 2.788 12.588 -4.354 330 HB2 PRO 45 HB2 PRO 45 3.208 12.859 -7.074 331 HB3 PRO 45 HB3 PRO 45 4.063 13.768 -5.824 332 HG2 PRO 45 HG2 PRO 45 4.926 11.330 -7.321 333 HG3 PRO 45 HG3 PRO 45 5.874 12.754 -6.851 334 HD2 PRO 45 HD2 PRO 45 6.059 10.446 -5.503 335 HD3 PRO 45 HD3 PRO 45 6.139 12.012 -4.669 336 H LYS 46 H LYS 46 3.246 9.622 -6.156 337 HA LYS 46 HA LYS 46 0.656 9.698 -7.401 338 HB2 LYS 46 HB2 LYS 46 3.036 8.156 -7.658 339 HB3 LYS 46 HB3 LYS 46 1.709 7.045 -7.347 340 HG2 LYS 46 HG2 LYS 46 0.904 7.291 -9.401 341 HG3 LYS 46 HG3 LYS 46 0.984 9.051 -9.302 342 HD2 LYS 46 HD2 LYS 46 3.588 8.535 -9.579 343 HD3 LYS 46 HD3 LYS 46 2.942 7.112 -10.399 344 HE2 LYS 46 HE2 LYS 46 2.172 8.310 -12.145 345 HE3 LYS 46 HE3 LYS 46 1.675 9.663 -11.130 346 HZ1 LYS 46 HZ1 LYS 46 4.260 9.967 -10.935 347 HZ2 LYS 46 HZ2 LYS 46 3.401 10.604 -12.245 348 HZ3 LYS 46 HZ3 LYS 46 4.252 9.153 -12.419 349 H TYR 47 H TYR 47 2.006 8.430 -4.449 350 HA TYR 47 HA TYR 47 -0.231 6.713 -3.883 351 HB2 TYR 47 HB2 TYR 47 2.379 6.978 -2.901 352 HB3 TYR 47 HB3 TYR 47 1.336 7.404 -1.549 353 HD1 TYR 47 HD1 TYR 47 1.693 4.782 -4.185 354 HD2 TYR 47 HD2 TYR 47 0.519 5.709 -0.202 355 HE1 TYR 47 HE1 TYR 47 1.278 2.398 -3.758 356 HE2 TYR 47 HE2 TYR 47 0.104 3.326 0.236 357 HH TYR 47 HH TYR 47 -0.217 1.052 -2.114 358 H GLU 48 H GLU 48 0.685 10.004 -3.172 359 HA GLU 48 HA GLU 48 -1.245 10.383 -1.090 360 HB2 GLU 48 HB2 GLU 48 -0.695 12.765 -1.296 361 HB3 GLU 48 HB3 GLU 48 0.758 11.778 -1.206 362 HG2 GLU 48 HG2 GLU 48 1.101 11.983 -3.575 363 HG3 GLU 48 HG3 GLU 48 -0.425 12.845 -3.757 364 H GLU 49 H GLU 49 -1.133 10.956 -4.565 365 HA GLU 49 HA GLU 49 -3.544 12.404 -4.775 366 HB2 GLU 49 HB2 GLU 49 -1.654 12.031 -6.520 367 HB3 GLU 49 HB3 GLU 49 -2.547 10.575 -6.940 368 HG2 GLU 49 HG2 GLU 49 -3.328 12.147 -8.448 369 HG3 GLU 49 HG3 GLU 49 -4.570 12.129 -7.196 370 H LEU 50 H LEU 50 -2.864 8.950 -5.348 371 HA LEU 50 HA LEU 50 -5.556 8.215 -5.775 372 HB2 LEU 50 HB2 LEU 50 -3.910 6.735 -6.582 373 HB3 LEU 50 HB3 LEU 50 -3.079 6.680 -5.039 374 HG LEU 50 HG LEU 50 -5.017 5.426 -4.094 375 HD11 LEU 50 HD11 LEU 50 -6.420 6.337 -6.206 376 HD12 LEU 50 HD12 LEU 50 -6.873 4.919 -5.261 377 HD13 LEU 50 HD13 LEU 50 -5.997 4.724 -6.779 378 HD21 LEU 50 HD21 LEU 50 -4.216 3.798 -6.414 379 HD22 LEU 50 HD22 LEU 50 -4.085 3.462 -4.688 380 HD23 LEU 50 HD23 LEU 50 -2.897 4.498 -5.477 381 H GLY 51 H GLY 51 -3.591 8.527 -2.894 382 HA2 GLY 51 HA2 GLY 51 -5.242 7.107 -1.106 383 HA3 GLY 51 HA3 GLY 51 -4.101 8.368 -0.662 384 H ALA 52 H ALA 52 -5.277 10.486 -2.141 385 HA ALA 52 HA ALA 52 -7.289 11.289 -0.288 386 HB1 ALA 52 HB1 ALA 52 -6.173 13.141 -0.961 387 HB2 ALA 52 HB2 ALA 52 -7.459 13.186 -2.167 388 HB3 ALA 52 HB3 ALA 52 -5.883 12.513 -2.583 389 H LEU 53 H LEU 53 -7.301 9.942 -3.509 390 HA LEU 53 HA LEU 53 -10.068 10.533 -4.015 391 HB2 LEU 53 HB2 LEU 53 -7.836 9.320 -5.448 392 HB3 LEU 53 HB3 LEU 53 -9.353 8.492 -5.741 393 HG LEU 53 HG LEU 53 -10.263 10.901 -6.209 394 HD11 LEU 53 HD11 LEU 53 -8.189 12.033 -7.455 395 HD12 LEU 53 HD12 LEU 53 -7.333 11.266 -6.117 396 HD13 LEU 53 HD13 LEU 53 -8.633 12.411 -5.790 397 HD21 LEU 53 HD21 LEU 53 -8.443 9.966 -8.356 398 HD22 LEU 53 HD22 LEU 53 -10.151 10.402 -8.425 399 HD23 LEU 53 HD23 LEU 53 -9.666 8.838 -7.769 400 H TYR 54 H TYR 54 -8.279 7.487 -3.495 401 HA TYR 54 HA TYR 54 -10.522 5.836 -3.275 402 HB2 TYR 54 HB2 TYR 54 -7.778 5.482 -3.196 403 HB3 TYR 54 HB3 TYR 54 -8.290 5.003 -1.581 404 HD1 TYR 54 HD2 TYR 54 -10.057 4.592 -4.836 405 HD2 TYR 54 HD1 TYR 54 -8.117 2.677 -1.569 406 HE1 TYR 54 HE2 TYR 54 -10.752 2.403 -5.714 407 HE2 TYR 54 HE1 TYR 54 -8.806 0.483 -2.439 408 HH TYR 54 HH TYR 54 -10.145 0.085 -5.576 409 H ALA 55 H ALA 55 -8.938 7.883 -0.926 410 HA ALA 55 HA ALA 55 -10.276 6.778 1.353 411 HB1 ALA 55 HB1 ALA 55 -9.328 8.643 2.580 412 HB2 ALA 55 HB2 ALA 55 -8.881 9.437 1.070 413 HB3 ALA 55 HB3 ALA 55 -8.107 7.921 1.532 414 H LYS 56 H LYS 56 -11.047 9.153 -1.041 415 HA LYS 56 HA LYS 56 -13.237 10.236 0.561 416 HB2 LYS 56 HB2 LYS 56 -11.675 11.690 -0.836 417 HB3 LYS 56 HB3 LYS 56 -12.490 11.033 -2.248 418 HG2 LYS 56 HG2 LYS 56 -14.576 11.860 -0.658 419 HG3 LYS 56 HG3 LYS 56 -13.345 13.096 -0.389 420 HD2 LYS 56 HD2 LYS 56 -13.431 13.843 -2.536 421 HD3 LYS 56 HD3 LYS 56 -13.810 12.248 -3.189 422 HE2 LYS 56 HE2 LYS 56 -16.087 12.438 -2.594 423 HE3 LYS 56 HE3 LYS 56 -15.778 13.834 -1.562 424 HZ1 LYS 56 HZ1 LYS 56 -15.420 15.200 -3.422 425 HZ2 LYS 56 HZ2 LYS 56 -16.803 14.301 -3.798 426 HZ3 LYS 56 HZ3 LYS 56 -15.314 13.888 -4.486 427 H SER 57 H SER 57 -13.434 7.518 -0.198 428 HA SER 57 HA SER 57 -15.745 7.648 -2.017 429 HB2 SER 57 HB2 SER 57 -13.784 5.349 -1.816 430 HB3 SER 57 HB3 SER 57 -15.162 5.463 -2.912 431 HG SER 57 HG SER 57 -14.137 7.219 -3.921 432 H GLU 58 H GLU 58 -16.802 5.209 -1.774 433 HA GLU 58 HA GLU 58 -17.632 5.157 1.027 434 HB2 GLU 58 HB2 GLU 58 -18.837 4.228 -1.545 435 HB3 GLU 58 HB3 GLU 58 -19.347 3.465 -0.046 436 HG2 GLU 58 HG2 GLU 58 -19.406 6.242 0.402 437 HG3 GLU 58 HG3 GLU 58 -20.154 5.961 -1.169 438 H PHE 59 H PHE 59 -15.068 4.096 0.424 439 HA PHE 59 HA PHE 59 -15.497 1.328 1.279 440 HB2 PHE 59 HB2 PHE 59 -13.376 2.042 -0.745 441 HB3 PHE 59 HB3 PHE 59 -13.888 0.437 -0.235 442 HD1 PHE 59 HD2 PHE 59 -16.636 0.232 -0.517 443 HD2 PHE 59 HD1 PHE 59 -13.969 2.548 -2.890 444 HE1 PHE 59 HE2 PHE 59 -18.234 0.149 -2.386 445 HE2 PHE 59 HE1 PHE 59 -15.562 2.470 -4.763 446 HZ PHE 59 HZ PHE 59 -17.697 1.269 -4.513 447 H LYS 60 H LYS 60 -14.764 3.792 2.677 448 HA LYS 60 HA LYS 60 -12.002 3.887 3.219 449 HB2 LYS 60 HB2 LYS 60 -12.772 5.021 5.374 450 HB3 LYS 60 HB3 LYS 60 -13.248 5.777 3.859 451 HG2 LYS 60 HG2 LYS 60 -15.211 3.855 4.793 452 HG3 LYS 60 HG3 LYS 60 -14.905 5.136 5.968 453 HD2 LYS 60 HD2 LYS 60 -15.349 6.822 4.262 454 HD3 LYS 60 HD3 LYS 60 -15.616 5.554 3.064 455 HE2 LYS 60 HE2 LYS 60 -17.762 6.224 3.768 456 HE3 LYS 60 HE3 LYS 60 -17.449 4.695 4.589 457 HZ1 LYS 60 HZ1 LYS 60 -18.363 6.168 6.174 458 HZ2 LYS 60 HZ2 LYS 60 -17.316 7.424 5.740 459 HZ3 LYS 60 HZ3 LYS 60 -16.714 6.058 6.535 460 H ASP 61 H ASP 61 -14.585 1.904 4.481 461 HA ASP 61 HA ASP 61 -12.848 0.790 6.545 462 HB2 ASP 61 HB2 ASP 61 -15.775 0.715 5.978 463 HB3 ASP 61 HB3 ASP 61 -15.072 -0.628 6.876 464 H ARG 62 H ARG 62 -12.722 0.341 3.480 465 HA ARG 62 HA ARG 62 -12.772 -2.602 3.567 466 HB2 ARG 62 HB2 ARG 62 -14.071 -0.987 1.797 467 HB3 ARG 62 HB3 ARG 62 -12.571 -1.294 0.934 468 HG2 ARG 62 HG2 ARG 62 -12.954 -3.724 1.228 469 HG3 ARG 62 HG3 ARG 62 -14.515 -3.349 1.960 470 HD2 ARG 62 1HD ARG 62 -14.988 -3.827 -0.293 471 HD3 ARG 62 2HD ARG 62 -15.037 -2.069 -0.169 472 HE ARG 62 HE ARG 62 -12.474 -3.101 -0.959 473 HH11 ARG 62 HH11 ARG 62 -15.617 -2.081 -2.081 474 HH12 ARG 62 HH12 ARG 62 -15.065 -1.715 -3.681 475 HH21 ARG 62 HH21 ARG 62 -11.746 -2.619 -3.062 476 HH22 ARG 62 HH22 ARG 62 -12.867 -2.021 -4.239 477 H VAL 63 H VAL 63 -11.067 -0.037 1.763 478 HA VAL 63 HA VAL 63 -8.556 -1.507 2.243 479 HB VAL 63 HB VAL 63 -9.146 0.150 -0.209 480 HG11 VAL 63 HG11 VAL 63 -7.175 -1.279 -1.045 481 HG12 VAL 63 HG12 VAL 63 -6.872 -1.595 0.664 482 HG13 VAL 63 HG13 VAL 63 -6.834 0.059 0.053 483 HG21 VAL 63 HG21 VAL 63 -10.598 -1.617 -0.533 484 HG22 VAL 63 HG22 VAL 63 -9.571 -2.757 0.336 485 HG23 VAL 63 HG23 VAL 63 -9.121 -2.222 -1.283 486 H VAL 64 H VAL 64 -6.626 -0.212 2.351 487 HA VAL 64 HA VAL 64 -7.028 2.655 2.783 488 HB VAL 64 HB VAL 64 -7.241 1.617 5.000 489 HG11 VAL 64 HG11 VAL 64 -5.514 -0.246 4.206 490 HG12 VAL 64 HG12 VAL 64 -5.769 0.145 5.907 491 HG13 VAL 64 HG13 VAL 64 -4.388 0.821 5.044 492 HG21 VAL 64 HG21 VAL 64 -5.799 3.806 4.355 493 HG22 VAL 64 HG22 VAL 64 -4.588 2.872 5.234 494 HG23 VAL 64 HG23 VAL 64 -6.116 3.288 6.011 495 H ILE 65 H ILE 65 -5.468 3.825 1.875 496 HA ILE 65 HA ILE 65 -3.197 2.486 0.679 497 HB ILE 65 HB ILE 65 -3.842 5.435 0.640 498 HG12 ILE 65 HG12 ILE 65 -5.719 4.049 -0.224 499 HG13 ILE 65 HG13 ILE 65 -4.981 5.056 -1.465 500 HG21 ILE 65 HG21 ILE 65 -2.540 5.273 -1.531 501 HG22 ILE 65 HG22 ILE 65 -2.022 3.680 -0.982 502 HG23 ILE 65 HG23 ILE 65 -1.612 5.114 -0.040 503 HD11 ILE 65 HD11 ILE 65 -3.851 2.363 -1.241 504 HD12 ILE 65 HD12 ILE 65 -4.315 3.291 -2.667 505 HD13 ILE 65 HD13 ILE 65 -5.541 2.426 -1.740 506 H ALA 66 H ALA 66 -1.332 2.213 1.709 507 HA ALA 66 HA ALA 66 -0.466 4.268 3.631 508 HB1 ALA 66 HB1 ALA 66 0.260 1.427 4.133 509 HB2 ALA 66 HB2 ALA 66 -1.366 1.970 4.548 510 HB3 ALA 66 HB3 ALA 66 0.038 2.756 5.271 511 H LYS 67 H LYS 67 1.570 4.966 3.395 512 HA LYS 67 HA LYS 67 3.228 3.653 1.360 513 HB2 LYS 67 HB2 LYS 67 2.560 6.341 1.809 514 HB3 LYS 67 HB3 LYS 67 4.247 6.199 2.284 515 HG2 LYS 67 HG2 LYS 67 4.664 5.095 0.062 516 HG3 LYS 67 HG3 LYS 67 3.023 5.566 -0.384 517 HD2 LYS 67 HD2 LYS 67 5.116 7.512 0.569 518 HD3 LYS 67 HD3 LYS 67 4.826 7.146 -1.133 519 HE2 LYS 67 HE2 LYS 67 3.013 8.448 -1.204 520 HE3 LYS 67 HE3 LYS 67 2.380 7.782 0.301 521 HZ1 LYS 67 HZ1 LYS 67 2.797 10.110 0.576 522 HZ2 LYS 67 HZ2 LYS 67 4.391 9.949 0.033 523 HZ3 LYS 67 HZ3 LYS 67 3.926 9.254 1.503 524 H VAL 68 H VAL 68 5.576 3.600 1.725 525 HA VAL 68 HA VAL 68 6.651 3.912 4.342 526 HB VAL 68 HB VAL 68 5.343 1.857 4.726 527 HG11 VAL 68 HG11 VAL 68 6.236 -0.250 3.617 528 HG12 VAL 68 HG12 VAL 68 6.997 0.820 2.442 529 HG13 VAL 68 HG13 VAL 68 5.243 0.814 2.622 530 HG21 VAL 68 HG21 VAL 68 8.269 1.168 4.696 531 HG22 VAL 68 HG22 VAL 68 7.035 0.670 5.855 532 HG23 VAL 68 HG23 VAL 68 7.585 2.345 5.817 533 H ASP 69 H ASP 69 8.909 3.293 4.471 534 HA ASP 69 HA ASP 69 10.169 3.271 1.815 535 HB2 ASP 69 HB2 ASP 69 11.011 4.380 4.476 536 HB3 ASP 69 HB3 ASP 69 12.219 4.012 3.248 537 H ALA 70 H ALA 70 11.850 1.845 1.351 538 HA ALA 70 HA ALA 70 11.820 -0.593 2.944 539 HB1 ALA 70 HB1 ALA 70 13.413 -1.250 0.910 540 HB2 ALA 70 HB2 ALA 70 12.569 0.109 0.166 541 HB3 ALA 70 HB3 ALA 70 11.654 -1.267 0.783 542 H THR 71 H THR 71 13.060 1.453 4.298 543 HA THR 71 HA THR 71 15.821 0.476 4.385 544 HB THR 71 HB THR 71 16.783 2.611 4.417 545 HG1 THR 71 HG1 THR 71 14.172 3.598 4.886 546 HG21 THR 71 HG21 THR 71 16.215 2.271 2.164 547 HG22 THR 71 HG22 THR 71 15.734 3.926 2.535 548 HG23 THR 71 HG23 THR 71 14.516 2.652 2.451 549 H ALA 72 H ALA 72 13.252 0.206 5.994 550 HA ALA 72 HA ALA 72 13.892 1.471 8.513 551 HB1 ALA 72 HB1 ALA 72 11.783 0.976 9.141 552 HB2 ALA 72 HB2 ALA 72 11.839 -0.644 8.446 553 HB3 ALA 72 HB3 ALA 72 11.547 0.751 7.408 554 H ASN 73 H ASN 73 13.464 -0.207 10.469 555 HA ASN 73 HA ASN 73 15.575 -2.227 10.164 556 HB2 ASN 73 HB2 ASN 73 14.479 -1.408 12.829 557 HB3 ASN 73 HB3 ASN 73 16.096 -1.964 12.412 558 HD21 ASN 73 HD21 ASN 73 13.867 0.738 12.163 559 HD22 ASN 73 HD22 ASN 73 15.076 1.965 12.030 560 H ASP 74 H ASP 74 15.252 -4.353 10.731 561 HA ASP 74 HA ASP 74 14.130 -6.301 11.072 562 HB2 ASP 74 HB2 ASP 74 13.491 -4.881 13.203 563 HB3 ASP 74 HB3 ASP 74 11.894 -4.881 12.461 564 H VAL 75 H VAL 75 13.776 -5.342 8.623 565 HA VAL 75 HA VAL 75 10.987 -6.033 8.037 566 HB VAL 75 HB VAL 75 11.077 -3.605 7.917 567 HG11 VAL 75 HG11 VAL 75 12.889 -3.482 5.614 568 HG12 VAL 75 HG12 VAL 75 13.663 -3.896 7.144 569 HG13 VAL 75 HG13 VAL 75 12.736 -2.403 7.001 570 HG21 VAL 75 HG21 VAL 75 9.592 -3.891 6.287 571 HG22 VAL 75 HG22 VAL 75 10.436 -5.320 5.691 572 HG23 VAL 75 HG23 VAL 75 10.911 -3.717 5.129 573 HA PRO 76 HA PRO 76 13.862 -8.550 5.460 574 HB2 PRO 76 HB2 PRO 76 12.321 -10.780 5.490 575 HB3 PRO 76 HB3 PRO 76 13.451 -10.381 6.790 576 HG2 PRO 76 HG2 PRO 76 10.489 -9.962 6.660 577 HG3 PRO 76 HG3 PRO 76 11.475 -10.565 8.005 578 HD2 PRO 76 HD2 PRO 76 10.595 -8.008 7.875 579 HD3 PRO 76 HD3 PRO 76 12.140 -8.449 8.631 580 H ASP 77 H ASP 77 13.129 -6.962 3.812 581 HA ASP 77 HA ASP 77 10.939 -8.012 2.150 582 HB2 ASP 77 HB2 ASP 77 10.874 -5.743 1.133 583 HB3 ASP 77 HB3 ASP 77 10.530 -5.734 2.860 584 H GLU 78 H GLU 78 11.780 -9.356 0.680 585 HA GLU 78 HA GLU 78 14.234 -8.542 -0.728 586 HB2 GLU 78 HB2 GLU 78 13.689 -10.922 0.510 587 HB3 GLU 78 HB3 GLU 78 13.244 -11.281 -1.153 588 HG2 GLU 78 HG2 GLU 78 15.397 -11.774 -1.422 589 HG3 GLU 78 HG3 GLU 78 15.640 -10.029 -1.478 590 H ILE 79 H ILE 79 13.660 -7.409 -2.488 591 HA ILE 79 HA ILE 79 11.793 -8.680 -4.363 592 HB ILE 79 HB ILE 79 10.994 -6.327 -4.951 593 HG12 ILE 79 HG12 ILE 79 12.818 -5.261 -3.511 594 HG13 ILE 79 HG13 ILE 79 11.197 -4.595 -3.350 595 HG21 ILE 79 HG21 ILE 79 9.575 -6.437 -2.636 596 HG22 ILE 79 HG22 ILE 79 10.213 -8.078 -2.736 597 HG23 ILE 79 HG23 ILE 79 9.254 -7.422 -4.064 598 HD11 ILE 79 HD11 ILE 79 12.887 -5.529 -1.325 599 HD12 ILE 79 HD12 ILE 79 11.569 -6.695 -1.443 600 HD13 ILE 79 HD13 ILE 79 11.215 -4.988 -1.176 601 H GLN 80 H GLN 80 11.984 -7.888 -6.574 602 HA GLN 80 HA GLN 80 14.700 -7.713 -7.384 603 HB2 GLN 80 HB2 GLN 80 12.416 -8.540 -8.590 604 HB3 GLN 80 HB3 GLN 80 12.621 -6.965 -9.345 605 HG2 GLN 80 HG2 GLN 80 15.015 -7.713 -9.831 606 HG3 GLN 80 HG3 GLN 80 14.451 -9.335 -9.429 607 HE21 GLN 80 HE21 GLN 80 11.960 -9.376 -10.496 608 HE22 GLN 80 HE22 GLN 80 12.042 -9.208 -12.214 609 H GLY 81 H GLY 81 11.997 -5.400 -7.801 610 HA2 GLY 81 HA2 GLY 81 14.037 -3.263 -7.962 611 HA3 GLY 81 HA3 GLY 81 12.504 -3.217 -8.820 612 H PHE 82 H PHE 82 13.848 -1.452 -6.733 613 HA PHE 82 HA PHE 82 12.710 -1.489 -4.304 614 HB2 PHE 82 HB2 PHE 82 13.821 0.550 -6.003 615 HB3 PHE 82 HB3 PHE 82 12.604 1.176 -4.885 616 HD1 PHE 82 HD2 PHE 82 12.750 0.001 -2.506 617 HD2 PHE 82 HD1 PHE 82 15.954 0.594 -5.234 618 HE1 PHE 82 HE2 PHE 82 14.373 -0.152 -0.644 619 HE2 PHE 82 HE1 PHE 82 17.567 0.419 -3.412 620 HZ PHE 82 HZ PHE 82 16.791 0.058 -1.094 621 HA PRO 83 HA PRO 83 8.892 0.677 -5.383 622 HB2 PRO 83 HB2 PRO 83 8.183 0.100 -8.152 623 HB3 PRO 83 HB3 PRO 83 8.270 1.658 -7.336 624 HG2 PRO 83 HG2 PRO 83 10.051 0.826 -9.244 625 HG3 PRO 83 HG3 PRO 83 10.422 2.021 -7.990 626 HD2 PRO 83 HD2 PRO 83 11.176 -0.854 -8.156 627 HD3 PRO 83 HD3 PRO 83 12.062 0.513 -7.440 628 H THR 84 H THR 84 8.786 -1.294 -4.134 629 HA THR 84 HA THR 84 7.487 -3.562 -5.429 630 HB THR 84 HB THR 84 9.218 -3.138 -3.098 631 HG1 THR 84 HG1 THR 84 9.817 -4.396 -4.866 632 HG21 THR 84 HG21 THR 84 8.425 -5.028 -1.799 633 HG22 THR 84 HG22 THR 84 7.022 -5.194 -2.855 634 HG23 THR 84 HG23 THR 84 7.203 -3.757 -1.849 635 H ILE 85 H ILE 85 5.461 -4.260 -4.948 636 HA ILE 85 HA ILE 85 3.861 -2.532 -3.174 637 HB ILE 85 HB ILE 85 2.684 -4.176 -5.394 638 HG12 ILE 85 HG12 ILE 85 3.683 -1.326 -5.598 639 HG13 ILE 85 HG13 ILE 85 4.384 -2.719 -6.412 640 HG21 ILE 85 HG21 ILE 85 1.781 -1.993 -3.592 641 HG22 ILE 85 HG22 ILE 85 0.949 -3.465 -4.092 642 HG23 ILE 85 HG23 ILE 85 1.074 -2.102 -5.204 643 HD11 ILE 85 HD11 ILE 85 2.569 -1.029 -7.502 644 HD12 ILE 85 HD12 ILE 85 1.532 -2.334 -6.926 645 HD13 ILE 85 HD13 ILE 85 2.855 -2.684 -8.038 646 H LYS 86 H LYS 86 3.185 -3.488 -1.382 647 HA LYS 86 HA LYS 86 3.005 -6.420 -1.323 648 HB2 LYS 86 HB2 LYS 86 3.880 -4.390 0.599 649 HB3 LYS 86 HB3 LYS 86 2.792 -5.584 1.293 650 HG2 LYS 86 HG2 LYS 86 4.314 -7.228 1.185 651 HG3 LYS 86 HG3 LYS 86 4.941 -6.689 -0.374 652 HD2 LYS 86 HD2 LYS 86 6.096 -4.826 0.809 653 HD3 LYS 86 HD3 LYS 86 5.569 -5.529 2.339 654 HE2 LYS 86 HE2 LYS 86 7.769 -6.306 2.010 655 HE3 LYS 86 HE3 LYS 86 6.720 -7.661 1.594 656 HZ1 LYS 86 HZ1 LYS 86 8.473 -6.085 -0.102 657 HZ2 LYS 86 HZ2 LYS 86 6.978 -6.493 -0.779 658 HZ3 LYS 86 HZ3 LYS 86 8.015 -7.709 -0.227 659 H LEU 87 H LEU 87 1.021 -7.177 -1.606 660 HA LEU 87 HA LEU 87 -1.271 -5.569 -0.755 661 HB2 LEU 87 HB2 LEU 87 -0.748 -7.255 -2.977 662 HB3 LEU 87 HB3 LEU 87 -2.047 -7.992 -2.059 663 HG LEU 87 HG LEU 87 -2.880 -6.518 -3.842 664 HD11 LEU 87 HD11 LEU 87 -3.422 -5.644 -1.013 665 HD12 LEU 87 HD12 LEU 87 -4.310 -6.837 -1.961 666 HD13 LEU 87 HD13 LEU 87 -4.377 -5.131 -2.404 667 HD21 LEU 87 HD21 LEU 87 -0.869 -4.927 -3.548 668 HD22 LEU 87 HD22 LEU 87 -1.854 -4.168 -2.297 669 HD23 LEU 87 HD23 LEU 87 -2.441 -4.241 -3.958 670 H TYR 88 H TYR 88 -2.615 -6.151 0.847 671 HA TYR 88 HA TYR 88 -2.304 -8.818 2.046 672 HB2 TYR 88 HB2 TYR 88 -2.190 -6.147 3.425 673 HB3 TYR 88 HB3 TYR 88 -2.671 -7.602 4.293 674 HD1 TYR 88 HD1 TYR 88 -1.035 -9.588 4.246 675 HD2 TYR 88 HD2 TYR 88 0.070 -5.621 3.177 676 HE1 TYR 88 HE1 TYR 88 1.328 -10.153 4.619 677 HE2 TYR 88 HE2 TYR 88 2.437 -6.175 3.547 678 HH TYR 88 HH TYR 88 3.439 -8.994 5.138 679 HA PRO 89 HA PRO 89 -6.759 -8.114 1.281 680 HB2 PRO 89 HB2 PRO 89 -7.380 -10.721 0.922 681 HB3 PRO 89 HB3 PRO 89 -6.680 -9.727 -0.361 682 HG2 PRO 89 HG2 PRO 89 -5.338 -11.687 1.462 683 HG3 PRO 89 HG3 PRO 89 -5.121 -11.452 -0.282 684 HD2 PRO 89 HD2 PRO 89 -3.402 -10.448 1.565 685 HD3 PRO 89 HD3 PRO 89 -3.713 -9.655 0.009 686 H ALA 90 H ALA 90 -8.256 -7.996 2.833 687 HA ALA 90 HA ALA 90 -7.746 -9.019 5.442 688 HB1 ALA 90 HB1 ALA 90 -9.288 -6.989 4.407 689 HB2 ALA 90 HB2 ALA 90 -9.279 -7.529 6.086 690 HB3 ALA 90 HB3 ALA 90 -10.487 -8.157 4.964 691 H GLY 91 H GLY 91 -8.078 -11.034 6.090 692 HA2 GLY 91 HA2 GLY 91 -9.775 -12.729 6.586 693 HA3 GLY 91 HA3 GLY 91 -10.364 -12.514 4.944 694 H ALA 92 H ALA 92 -7.764 -12.438 3.713 695 HA ALA 92 HA ALA 92 -6.917 -15.233 4.116 696 HB1 ALA 92 HB1 ALA 92 -8.171 -15.000 2.040 697 HB2 ALA 92 HB2 ALA 92 -6.478 -15.372 1.714 698 HB3 ALA 92 HB3 ALA 92 -7.074 -13.725 1.509 699 H LYS 93 H LYS 93 -5.891 -12.467 5.020 700 HA LYS 93 HA LYS 93 -3.464 -11.911 3.749 701 HB2 LYS 93 HB2 LYS 93 -2.844 -10.947 6.071 702 HB3 LYS 93 HB3 LYS 93 -4.193 -10.240 5.197 703 HG2 LYS 93 HG2 LYS 93 -4.599 -10.575 7.623 704 HG3 LYS 93 HG3 LYS 93 -5.776 -11.371 6.579 705 HD2 LYS 93 HD2 LYS 93 -4.943 -13.489 7.044 706 HD3 LYS 93 HD3 LYS 93 -3.375 -12.865 7.560 707 HE2 LYS 93 HE2 LYS 93 -4.969 -11.694 9.384 708 HE3 LYS 93 HE3 LYS 93 -5.896 -13.160 9.068 709 HZ1 LYS 93 HZ1 LYS 93 -4.178 -14.502 9.813 710 HZ2 LYS 93 HZ2 LYS 93 -4.132 -13.207 10.900 711 HZ3 LYS 93 HZ3 LYS 93 -3.004 -13.294 9.643 712 H GLY 94 H GLY 94 -1.430 -11.995 5.565 713 HA2 GLY 94 HA2 GLY 94 -0.214 -13.529 6.969 714 HA3 GLY 94 HA3 GLY 94 -1.127 -14.844 6.245 715 H GLN 95 H GLN 95 -0.655 -13.347 3.575 716 HA GLN 95 HA GLN 95 2.145 -14.150 3.205 717 HB2 GLN 95 HB2 GLN 95 1.669 -15.269 1.163 718 HB3 GLN 95 HB3 GLN 95 0.533 -15.884 2.352 719 HG2 GLN 95 HG2 GLN 95 -0.055 -13.849 0.213 720 HG3 GLN 95 HG3 GLN 95 -0.547 -15.539 0.217 721 HE21 GLN 95 HE21 GLN 95 -1.317 -12.384 1.180 722 HE22 GLN 95 HE22 GLN 95 -2.732 -12.751 2.101 723 HA PRO 96 HA PRO 96 2.108 -9.914 1.670 724 HB2 PRO 96 HB2 PRO 96 4.979 -10.374 1.251 725 HB3 PRO 96 HB3 PRO 96 4.173 -9.187 2.279 726 HG2 PRO 96 HG2 PRO 96 5.502 -11.292 3.302 727 HG3 PRO 96 HG3 PRO 96 4.052 -10.626 4.074 728 HD2 PRO 96 HD2 PRO 96 4.337 -13.065 2.359 729 HD3 PRO 96 HD3 PRO 96 3.378 -12.830 3.837 730 H VAL 97 H VAL 97 1.367 -9.601 -0.336 731 HA VAL 97 HA VAL 97 2.255 -11.225 -2.549 732 HB VAL 97 HB VAL 97 0.464 -8.793 -2.631 733 HG11 VAL 97 HG11 VAL 97 1.610 -10.024 -4.723 734 HG12 VAL 97 HG12 VAL 97 0.010 -9.285 -4.792 735 HG13 VAL 97 HG13 VAL 97 0.168 -11.024 -4.543 736 HG21 VAL 97 HG21 VAL 97 -0.030 -11.553 -1.732 737 HG22 VAL 97 HG22 VAL 97 -1.223 -10.891 -2.849 738 HG23 VAL 97 HG23 VAL 97 -0.877 -10.059 -1.333 739 H THR 98 H THR 98 4.246 -10.823 -3.308 740 HA THR 98 HA THR 98 5.224 -8.083 -3.465 741 HB THR 98 HB THR 98 7.275 -9.480 -4.440 742 HG1 THR 98 HG1 THR 98 7.253 -11.540 -3.916 743 HG21 THR 98 HG21 THR 98 6.569 -9.493 -1.516 744 HG22 THR 98 HG22 THR 98 7.375 -8.183 -2.380 745 HG23 THR 98 HG23 THR 98 8.173 -9.746 -2.205 746 H TYR 99 H TYR 99 4.709 -6.942 -5.204 747 HA TYR 99 HA TYR 99 3.826 -8.062 -7.647 748 HB2 TYR 99 HB2 TYR 99 4.591 -5.307 -6.749 749 HB3 TYR 99 HB3 TYR 99 4.321 -5.620 -8.459 750 HD1 TYR 99 HD1 TYR 99 2.513 -7.040 -5.532 751 HD2 TYR 99 HD2 TYR 99 2.343 -4.473 -8.921 752 HE1 TYR 99 HE1 TYR 99 0.095 -6.755 -5.187 753 HE2 TYR 99 HE2 TYR 99 -0.076 -4.182 -8.586 754 HH TYR 99 HH TYR 99 -1.871 -6.110 -6.359 755 H SER 100 H SER 100 4.963 -7.007 -9.741 756 HA SER 100 HA SER 100 7.746 -7.962 -9.657 757 HB2 SER 100 HB2 SER 100 5.569 -8.211 -11.660 758 HB3 SER 100 HB3 SER 100 7.198 -7.970 -12.294 759 HG SER 100 HG SER 100 7.143 -10.101 -12.049 760 H GLY 101 H GLY 101 5.682 -5.285 -10.399 761 HA2 GLY 101 HA2 GLY 101 7.511 -3.291 -10.257 762 HA3 GLY 101 HA3 GLY 101 7.653 -3.831 -11.923 763 H SER 102 H SER 102 6.456 -1.404 -10.319 764 HA SER 102 HA SER 102 4.227 -1.062 -12.172 765 HB2 SER 102 HB2 SER 102 3.548 -1.948 -9.762 766 HB3 SER 102 HB3 SER 102 3.714 -0.242 -9.349 767 HG SER 102 HG SER 102 1.937 -1.469 -11.156 768 H ARG 103 H ARG 103 3.451 1.185 -12.255 769 HA ARG 103 HA ARG 103 5.144 3.225 -11.101 770 HB2 ARG 103 HB2 ARG 103 5.596 4.216 -13.401 771 HB3 ARG 103 HB3 ARG 103 6.527 2.790 -12.964 772 HG2 ARG 103 HG2 ARG 103 5.865 1.840 -14.848 773 HG3 ARG 103 HG3 ARG 103 4.213 1.838 -14.228 774 HD2 ARG 103 1HD ARG 103 4.471 4.411 -15.076 775 HD3 ARG 103 2HD ARG 103 5.476 3.556 -16.246 776 HE ARG 103 HE ARG 103 3.016 2.216 -15.956 777 HH11 ARG 103 HH11 ARG 103 4.355 5.145 -17.299 778 HH12 ARG 103 HH12 ARG 103 3.140 5.287 -18.525 779 HH21 ARG 103 HH21 ARG 103 1.417 2.400 -17.568 780 HH22 ARG 103 HH22 ARG 103 1.472 3.729 -18.677 781 H THR 104 H THR 104 2.285 2.398 -11.161 782 HA THR 104 HA THR 104 1.171 5.021 -11.475 783 HB THR 104 HB THR 104 -0.255 2.965 -13.098 784 HG1 THR 104 HG1 THR 104 1.288 2.847 -14.489 785 HG21 THR 104 HG21 THR 104 0.156 5.906 -13.557 786 HG22 THR 104 HG22 THR 104 -1.227 5.202 -12.719 787 HG23 THR 104 HG23 THR 104 -0.946 4.833 -14.420 788 H VAL 105 H VAL 105 -0.799 5.268 -10.413 789 HA VAL 105 HA VAL 105 -1.349 3.288 -8.406 790 HB VAL 105 HB VAL 105 -3.180 4.886 -7.730 791 HG11 VAL 105 HG11 VAL 105 -0.617 4.894 -7.083 792 HG12 VAL 105 HG12 VAL 105 -1.716 6.154 -6.521 793 HG13 VAL 105 HG13 VAL 105 -0.662 6.455 -7.903 794 HG21 VAL 105 HG21 VAL 105 -3.183 5.822 -10.185 795 HG22 VAL 105 HG22 VAL 105 -1.952 6.908 -9.540 796 HG23 VAL 105 HG23 VAL 105 -3.560 6.870 -8.817 797 H GLU 106 H GLU 106 -2.789 4.303 -11.422 798 HA GLU 106 HA GLU 106 -5.341 3.192 -11.124 799 HB2 GLU 106 HB2 GLU 106 -5.476 3.250 -13.555 800 HB3 GLU 106 HB3 GLU 106 -4.729 4.722 -12.950 801 HG2 GLU 106 HG2 GLU 106 -2.499 3.551 -13.418 802 HG3 GLU 106 HG3 GLU 106 -3.454 2.421 -14.378 803 H ASP 107 H ASP 107 -2.283 1.754 -12.101 804 HA ASP 107 HA ASP 107 -3.427 -0.758 -12.865 805 HB2 ASP 107 HB2 ASP 107 -1.130 0.328 -13.533 806 HB3 ASP 107 HB3 ASP 107 -0.553 -0.464 -12.070 807 H LEU 108 H LEU 108 -2.185 0.631 -9.920 808 HA LEU 108 HA LEU 108 -1.853 -1.796 -8.484 809 HB2 LEU 108 HB2 LEU 108 -1.158 0.780 -8.035 810 HB3 LEU 108 HB3 LEU 108 -2.547 0.645 -6.974 811 HG LEU 108 HG LEU 108 -0.487 -1.490 -6.797 812 HD11 LEU 108 HD11 LEU 108 0.056 0.852 -5.115 813 HD12 LEU 108 HD12 LEU 108 0.425 1.065 -6.826 814 HD13 LEU 108 HD13 LEU 108 1.168 -0.254 -5.922 815 HD21 LEU 108 HD21 LEU 108 -2.070 -1.919 -5.237 816 HD22 LEU 108 HD22 LEU 108 -2.562 -0.231 -5.111 817 HD23 LEU 108 HD23 LEU 108 -1.106 -0.788 -4.288 818 H ILE 109 H ILE 109 -4.425 0.668 -8.410 819 HA ILE 109 HA ILE 109 -6.128 -0.605 -6.617 820 HB ILE 109 HB ILE 109 -6.470 1.704 -7.313 821 HG12 ILE 109 HG12 ILE 109 -8.776 -0.159 -7.912 822 HG13 ILE 109 HG13 ILE 109 -8.399 0.614 -6.377 823 HG21 ILE 109 HG21 ILE 109 -7.243 2.330 -9.475 824 HG22 ILE 109 HG22 ILE 109 -7.448 0.646 -9.956 825 HG23 ILE 109 HG23 ILE 109 -5.830 1.299 -9.700 826 HD11 ILE 109 HD11 ILE 109 -10.292 1.663 -7.510 827 HD12 ILE 109 HD12 ILE 109 -9.252 2.044 -8.883 828 HD13 ILE 109 HD13 ILE 109 -8.943 2.781 -7.310 829 H LYS 110 H LYS 110 -6.003 -0.855 -10.159 830 HA LYS 110 HA LYS 110 -8.214 -2.515 -10.514 831 HB2 LYS 110 HB2 LYS 110 -5.969 -1.607 -12.093 832 HB3 LYS 110 HB3 LYS 110 -6.338 -3.288 -12.452 833 HG2 LYS 110 HG2 LYS 110 -8.817 -2.246 -12.499 834 HG3 LYS 110 HG3 LYS 110 -7.877 -0.846 -13.019 835 HD2 LYS 110 HD2 LYS 110 -6.818 -2.248 -14.758 836 HD3 LYS 110 HD3 LYS 110 -7.848 -3.593 -14.267 837 HE2 LYS 110 HE2 LYS 110 -8.924 -0.931 -15.170 838 HE3 LYS 110 HE3 LYS 110 -8.639 -2.280 -16.269 839 HZ1 LYS 110 HZ1 LYS 110 -10.158 -3.616 -14.888 840 HZ2 LYS 110 HZ2 LYS 110 -10.921 -2.277 -15.586 841 HZ3 LYS 110 HZ3 LYS 110 -10.492 -2.248 -13.950 842 H PHE 111 H PHE 111 -4.819 -3.350 -9.918 843 HA PHE 111 HA PHE 111 -5.115 -6.139 -10.134 844 HB2 PHE 111 HB2 PHE 111 -3.007 -4.417 -9.741 845 HB3 PHE 111 HB3 PHE 111 -3.103 -5.251 -8.194 846 HD1 PHE 111 HD1 PHE 111 -3.031 -5.928 -11.853 847 HD2 PHE 111 HD2 PHE 111 -2.061 -7.296 -7.942 848 HE1 PHE 111 HE1 PHE 111 -1.838 -7.848 -12.825 849 HE2 PHE 111 HE2 PHE 111 -0.866 -9.218 -8.906 850 HZ PHE 111 HZ PHE 111 -0.753 -9.496 -11.351 851 H ILE 112 H ILE 112 -5.314 -3.969 -7.336 852 HA ILE 112 HA ILE 112 -5.569 -5.878 -5.328 853 HB ILE 112 HB ILE 112 -6.941 -3.188 -5.423 854 HG12 ILE 112 HG12 ILE 112 -4.389 -3.621 -3.957 855 HG13 ILE 112 HG13 ILE 112 -4.299 -3.512 -5.712 856 HG21 ILE 112 HG21 ILE 112 -7.633 -3.545 -3.339 857 HG22 ILE 112 HG22 ILE 112 -6.035 -4.090 -2.832 858 HG23 ILE 112 HG23 ILE 112 -7.169 -5.233 -3.551 859 HD11 ILE 112 HD11 ILE 112 -4.359 -1.311 -5.567 860 HD12 ILE 112 HD12 ILE 112 -4.483 -1.424 -3.811 861 HD13 ILE 112 HD13 ILE 112 -5.944 -1.399 -4.799 862 H ALA 113 H ALA 113 -7.915 -4.705 -7.639 863 HA ALA 113 HA ALA 113 -10.180 -5.862 -6.304 864 HB1 ALA 113 HB1 ALA 113 -11.434 -4.784 -7.831 865 HB2 ALA 113 HB2 ALA 113 -10.409 -5.278 -9.179 866 HB3 ALA 113 HB3 ALA 113 -9.935 -3.917 -8.163 867 H GLU 114 H GLU 114 -7.890 -6.866 -8.736 868 HA GLU 114 HA GLU 114 -9.408 -9.152 -9.588 869 HB2 GLU 114 HB2 GLU 114 -6.662 -8.095 -10.127 870 HB3 GLU 114 HB3 GLU 114 -7.032 -9.764 -10.540 871 HG2 GLU 114 HG2 GLU 114 -8.818 -9.053 -11.994 872 HG3 GLU 114 HG3 GLU 114 -8.578 -7.373 -11.514 873 H ASN 115 H ASN 115 -7.039 -8.463 -7.138 874 HA ASN 115 HA ASN 115 -7.078 -11.302 -6.349 875 HB2 ASN 115 HB2 ASN 115 -4.833 -9.403 -5.686 876 HB3 ASN 115 HB3 ASN 115 -4.837 -11.161 -5.596 877 HD21 ASN 115 HD21 ASN 115 -5.208 -8.514 -7.915 878 HD22 ASN 115 HD22 ASN 115 -4.396 -9.308 -9.217 879 H GLY 116 H GLY 116 -8.847 -9.027 -5.589 880 HA2 GLY 116 HA2 GLY 116 -8.222 -8.886 -2.708 881 HA3 GLY 116 HA3 GLY 116 -9.195 -7.709 -3.578 882 H LYS 117 H LYS 117 -9.705 -9.473 -1.185 883 HA LYS 117 HA LYS 117 -11.771 -11.286 -2.049 884 HB2 LYS 117 HB2 LYS 117 -10.544 -10.515 0.551 885 HB3 LYS 117 HB3 LYS 117 -12.163 -11.201 0.588 886 HG2 LYS 117 HG2 LYS 117 -11.384 -13.195 -0.532 887 HG3 LYS 117 HG3 LYS 117 -9.771 -12.500 -0.700 888 HD2 LYS 117 HD2 LYS 117 -9.222 -13.318 1.292 889 HD3 LYS 117 HD3 LYS 117 -10.486 -12.337 2.037 890 HE2 LYS 117 HE2 LYS 117 -11.268 -14.879 0.703 891 HE3 LYS 117 HE3 LYS 117 -10.455 -14.970 2.265 892 HZ1 LYS 117 HZ1 LYS 117 -12.216 -14.079 3.338 893 HZ2 LYS 117 HZ2 LYS 117 -13.069 -14.733 2.033 894 HZ3 LYS 117 HZ3 LYS 117 -12.671 -13.090 2.043 895 H TYR 118 H TYR 118 -11.570 -8.003 -0.913 896 HA TYR 118 HA TYR 118 -14.457 -7.836 -0.527 897 HB2 TYR 118 HB2 TYR 118 -12.133 -6.072 0.117 898 HB3 TYR 118 HB3 TYR 118 -13.727 -5.344 -0.045 899 HD1 TYR 118 HD2 TYR 118 -15.472 -7.384 1.131 900 HD2 TYR 118 HD1 TYR 118 -11.641 -6.024 2.386 901 HE1 TYR 118 HE2 TYR 118 -16.005 -8.033 3.442 902 HE2 TYR 118 HE1 TYR 118 -12.163 -6.670 4.700 903 HH TYR 118 HH TYR 118 -14.053 -7.101 6.111 904 H LYS 119 H LYS 119 -13.007 -8.141 -3.206 905 HA LYS 119 HA LYS 119 -14.363 -5.888 -4.527 906 HB2 LYS 119 HB2 LYS 119 -11.708 -7.116 -5.284 907 HB3 LYS 119 HB3 LYS 119 -12.580 -5.942 -6.260 908 HG2 LYS 119 HG2 LYS 119 -11.231 -4.491 -5.194 909 HG3 LYS 119 HG3 LYS 119 -12.473 -4.599 -3.944 910 HD2 LYS 119 HD2 LYS 119 -10.901 -6.710 -3.292 911 HD3 LYS 119 HD3 LYS 119 -9.705 -5.596 -3.957 912 HE2 LYS 119 HE2 LYS 119 -10.234 -3.926 -2.379 913 HE3 LYS 119 HE3 LYS 119 -11.723 -4.741 -1.902 914 HZ1 LYS 119 HZ1 LYS 119 -10.291 -5.260 -0.194 915 HZ2 LYS 119 HZ2 LYS 119 -8.942 -5.407 -1.203 916 HZ3 LYS 119 HZ3 LYS 119 -10.123 -6.618 -1.190 917 H ALA 120 H ALA 120 -15.241 -8.642 -3.950 918 HA ALA 120 HA ALA 120 -16.340 -10.357 -4.965 919 HB1 ALA 120 HB1 ALA 120 -17.586 -9.859 -6.897 920 HB2 ALA 120 HB2 ALA 120 -16.412 -8.662 -7.445 921 HB3 ALA 120 HB3 ALA 120 -17.424 -8.327 -6.039 922 H ALA 121 H ALA 121 -14.683 -11.865 -4.994 923 HA ALA 121 HA ALA 121 -13.208 -13.341 -5.903 924 HB1 ALA 121 HB1 ALA 121 -13.315 -13.478 -8.494 925 HB2 ALA 121 HB2 ALA 121 -14.684 -12.378 -8.319 926 HB3 ALA 121 HB3 ALA 121 -14.719 -13.961 -7.541 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -10.527 24.270 12.096 2 H2 GLY 1 2H GLY 1 -10.512 22.828 12.981 3 H3 GLY 1 3H GLY 1 -11.684 23.074 11.786 4 HA2 GLY 1 HA3 GLY 1 -9.514 23.385 10.307 5 HA3 GLY 1 HA2 GLY 1 -8.894 22.282 11.526 6 HA PRO 2 HA PRO 2 -11.596 20.085 8.250 7 HB2 PRO 2 HB2 PRO 2 -9.774 19.335 6.409 8 HB3 PRO 2 HB3 PRO 2 -10.611 20.890 6.326 9 HG2 PRO 2 HG2 PRO 2 -7.862 20.271 7.339 10 HG3 PRO 2 HG3 PRO 2 -8.399 21.613 6.311 11 HD2 PRO 2 HD2 PRO 2 -7.980 21.865 8.990 12 HD3 PRO 2 HD3 PRO 2 -9.167 22.838 8.098 13 H LEU 3 H LEU 3 -8.224 19.343 9.114 14 HA LEU 3 HA LEU 3 -7.233 17.471 9.941 15 HB2 LEU 3 HB2 LEU 3 -10.051 16.787 10.779 16 HB3 LEU 3 HB3 LEU 3 -8.603 15.980 11.349 17 HG LEU 3 HG LEU 3 -8.032 18.569 11.976 18 HD11 LEU 3 HD11 LEU 3 -10.775 18.477 13.001 19 HD12 LEU 3 HD12 LEU 3 -10.647 18.770 11.267 20 HD13 LEU 3 HD13 LEU 3 -9.827 19.839 12.405 21 HD21 LEU 3 HD21 LEU 3 -7.640 16.948 13.583 22 HD22 LEU 3 HD22 LEU 3 -9.288 16.326 13.507 23 HD23 LEU 3 HD23 LEU 3 -8.964 17.873 14.290 24 H GLY 4 H GLY 4 -8.206 17.505 7.192 25 HA2 GLY 4 HA2 GLY 4 -8.620 14.604 6.798 26 HA3 GLY 4 HA3 GLY 4 -9.270 15.830 5.721 27 H SER 5 H SER 5 -6.080 16.259 6.992 28 HA SER 5 HA SER 5 -4.988 16.060 4.312 29 HB2 SER 5 HB2 SER 5 -4.446 17.899 6.041 30 HB3 SER 5 HB3 SER 5 -3.406 16.691 6.797 31 HG SER 5 HG SER 5 -3.227 17.351 4.051 32 H GLU 6 H GLU 6 -4.329 14.622 7.501 33 HA GLU 6 HA GLU 6 -2.745 12.531 6.193 34 HB2 GLU 6 HB2 GLU 6 -2.113 11.938 8.566 35 HB3 GLU 6 HB3 GLU 6 -1.576 13.517 8.010 36 HG2 GLU 6 HG2 GLU 6 -3.052 14.649 9.363 37 HG3 GLU 6 HG3 GLU 6 -4.157 13.280 9.482 38 H GLY 7 H GLY 7 -5.789 12.780 6.327 39 HA2 GLY 7 HA2 GLY 7 -6.770 10.743 8.024 40 HA3 GLY 7 HA3 GLY 7 -7.595 11.394 6.616 41 HA PRO 8 HA PRO 8 -6.750 7.769 4.257 42 HB2 PRO 8 HB2 PRO 8 -5.547 8.570 1.961 43 HB3 PRO 8 HB3 PRO 8 -7.252 8.880 2.309 44 HG2 PRO 8 HG2 PRO 8 -4.898 10.708 2.592 45 HG3 PRO 8 HG3 PRO 8 -6.511 11.053 1.940 46 HD2 PRO 8 HD2 PRO 8 -5.774 11.745 4.453 47 HD3 PRO 8 HD3 PRO 8 -7.441 11.304 4.034 48 H VAL 9 H VAL 9 -3.943 9.855 4.629 49 HA VAL 9 HA VAL 9 -1.982 7.962 3.869 50 HB VAL 9 HB VAL 9 -1.631 10.273 5.784 51 HG11 VAL 9 HG11 VAL 9 0.408 9.351 5.954 52 HG12 VAL 9 HG12 VAL 9 0.675 10.042 4.353 53 HG13 VAL 9 HG13 VAL 9 0.187 8.355 4.516 54 HG21 VAL 9 HG21 VAL 9 -0.831 10.622 2.982 55 HG22 VAL 9 HG22 VAL 9 -1.637 11.740 4.082 56 HG23 VAL 9 HG23 VAL 9 -2.571 10.503 3.241 57 H THR 10 H THR 10 -0.844 6.474 5.023 58 HA THR 10 HA THR 10 -1.421 6.205 7.888 59 HB THR 10 HB THR 10 -1.372 3.844 6.009 60 HG1 THR 10 HG1 THR 10 -3.179 5.221 5.595 61 HG21 THR 10 HG21 THR 10 -2.803 2.963 8.019 62 HG22 THR 10 HG22 THR 10 -1.905 4.193 8.909 63 HG23 THR 10 HG23 THR 10 -1.041 2.911 8.060 64 H VAL 11 H VAL 11 0.274 5.582 9.128 65 HA VAL 11 HA VAL 11 2.880 5.524 7.856 66 HB VAL 11 HB VAL 11 2.554 6.877 9.881 67 HG11 VAL 11 HG11 VAL 11 2.427 5.610 12.080 68 HG12 VAL 11 HG12 VAL 11 1.911 4.219 11.126 69 HG13 VAL 11 HG13 VAL 11 0.946 5.695 11.127 70 HG21 VAL 11 HG21 VAL 11 4.711 5.386 9.252 71 HG22 VAL 11 HG22 VAL 11 4.394 4.807 10.887 72 HG23 VAL 11 HG23 VAL 11 4.665 6.525 10.598 73 H VAL 12 H VAL 12 4.332 3.836 7.911 74 HA VAL 12 HA VAL 12 3.407 1.285 9.042 75 HB VAL 12 HB VAL 12 4.749 1.381 6.354 76 HG11 VAL 12 HG11 VAL 12 3.390 -0.659 8.040 77 HG12 VAL 12 HG12 VAL 12 4.881 -0.775 7.106 78 HG13 VAL 12 HG13 VAL 12 3.320 -0.825 6.286 79 HG21 VAL 12 HG21 VAL 12 1.920 1.928 7.021 80 HG22 VAL 12 HG22 VAL 12 2.214 0.821 5.680 81 HG23 VAL 12 HG23 VAL 12 2.883 2.453 5.640 82 H VAL 13 H VAL 13 4.881 0.836 10.552 83 HA VAL 13 HA VAL 13 7.729 1.069 9.829 84 HB VAL 13 HB VAL 13 7.117 2.787 11.483 85 HG11 VAL 13 HG11 VAL 13 6.655 1.851 13.854 86 HG12 VAL 13 HG12 VAL 13 6.090 0.421 12.992 87 HG13 VAL 13 HG13 VAL 13 5.327 1.985 12.703 88 HG21 VAL 13 HG21 VAL 13 8.770 0.708 12.885 89 HG22 VAL 13 HG22 VAL 13 8.937 2.463 12.926 90 HG23 VAL 13 HG23 VAL 13 9.360 1.572 11.464 91 H ALA 14 H ALA 14 9.138 -0.397 11.183 92 HA ALA 14 HA ALA 14 8.623 -3.029 10.802 93 HB1 ALA 14 HB1 ALA 14 10.092 -2.415 13.292 94 HB2 ALA 14 HB2 ALA 14 10.703 -1.698 11.801 95 HB3 ALA 14 HB3 ALA 14 10.537 -3.449 11.934 96 H LYS 15 H LYS 15 7.666 -1.139 13.633 97 HA LYS 15 HA LYS 15 6.564 -3.469 14.956 98 HB2 LYS 15 HB2 LYS 15 5.866 -1.781 16.689 99 HB3 LYS 15 HB3 LYS 15 7.596 -1.892 16.396 100 HG2 LYS 15 HG2 LYS 15 7.611 0.132 15.169 101 HG3 LYS 15 HG3 LYS 15 5.848 0.178 15.096 102 HD2 LYS 15 HD2 LYS 15 6.263 1.682 16.789 103 HD3 LYS 15 HD3 LYS 15 6.039 0.191 17.707 104 HE2 LYS 15 HE2 LYS 15 8.187 0.130 18.372 105 HE3 LYS 15 HE3 LYS 15 8.790 0.681 16.809 106 HZ1 LYS 15 HZ1 LYS 15 8.596 2.870 17.402 107 HZ2 LYS 15 HZ2 LYS 15 8.995 2.189 18.898 108 HZ3 LYS 15 HZ3 LYS 15 7.387 2.585 18.551 109 H ASN 16 H ASN 16 5.447 -1.384 12.584 110 HA ASN 16 HA ASN 16 2.651 -1.749 13.427 111 HB2 ASN 16 HB2 ASN 16 3.949 0.569 12.656 112 HB3 ASN 16 HB3 ASN 16 3.077 0.094 11.202 113 HD21 ASN 16 HD21 ASN 16 0.759 -0.665 11.718 114 HD22 ASN 16 HD22 ASN 16 -0.139 0.376 12.765 115 H TYR 17 H TYR 17 4.674 -1.687 10.487 116 HA TYR 17 HA TYR 17 2.887 -2.632 8.653 117 HB2 TYR 17 HB2 TYR 17 4.672 -2.696 7.302 118 HB3 TYR 17 HB3 TYR 17 5.619 -2.194 8.694 119 HD1 TYR 17 HD2 TYR 17 4.441 -5.185 6.835 120 HD2 TYR 17 HD1 TYR 17 7.301 -3.592 9.547 121 HE1 TYR 17 HE2 TYR 17 5.744 -7.260 6.663 122 HE2 TYR 17 HE1 TYR 17 8.623 -5.661 9.379 123 HH TYR 17 HH TYR 17 8.888 -7.540 7.623 124 H ASN 18 H ASN 18 4.981 -4.677 10.689 125 HA ASN 18 HA ASN 18 4.185 -7.150 9.804 126 HB2 ASN 18 HB2 ASN 18 5.036 -8.049 11.820 127 HB3 ASN 18 HB3 ASN 18 5.972 -6.588 11.525 128 HD21 ASN 18 HD21 ASN 18 4.598 -4.580 12.490 129 HD22 ASN 18 HD22 ASN 18 4.225 -4.784 14.160 130 H GLU 19 H GLU 19 2.485 -5.014 12.026 131 HA GLU 19 HA GLU 19 0.529 -6.959 12.782 132 HB2 GLU 19 HB2 GLU 19 1.332 -4.641 13.880 133 HB3 GLU 19 HB3 GLU 19 -0.108 -4.078 13.041 134 HG2 GLU 19 HG2 GLU 19 -1.513 -5.494 14.271 135 HG3 GLU 19 HG3 GLU 19 -0.161 -6.464 14.856 136 H ILE 20 H ILE 20 0.234 -3.965 10.849 137 HA ILE 20 HA ILE 20 -2.377 -4.338 10.007 138 HB ILE 20 HB ILE 20 -1.824 -2.862 8.088 139 HG12 ILE 20 HG12 ILE 20 0.988 -3.154 9.170 140 HG13 ILE 20 HG13 ILE 20 0.417 -3.612 7.569 141 HG21 ILE 20 HG21 ILE 20 -0.465 -1.573 10.370 142 HG22 ILE 20 HG22 ILE 20 -2.069 -2.237 10.683 143 HG23 ILE 20 HG23 ILE 20 -1.845 -1.032 9.414 144 HD11 ILE 20 HD11 ILE 20 1.208 -1.642 6.917 145 HD12 ILE 20 HD12 ILE 20 1.305 -1.034 8.570 146 HD13 ILE 20 HD13 ILE 20 -0.221 -0.954 7.689 147 H VAL 21 H VAL 21 0.596 -5.379 8.382 148 HA VAL 21 HA VAL 21 -0.635 -6.497 6.113 149 HB VAL 21 HB VAL 21 1.486 -7.608 5.694 150 HG11 VAL 21 HG11 VAL 21 2.930 -5.663 5.634 151 HG12 VAL 21 HG12 VAL 21 1.932 -4.852 6.842 152 HG13 VAL 21 HG13 VAL 21 1.276 -5.195 5.241 153 HG21 VAL 21 HG21 VAL 21 3.291 -6.993 7.564 154 HG22 VAL 21 HG22 VAL 21 2.380 -8.503 7.577 155 HG23 VAL 21 HG23 VAL 21 1.869 -7.156 8.594 156 H LEU 22 H LEU 22 0.201 -7.868 9.263 157 HA LEU 22 HA LEU 22 -0.473 -10.549 8.505 158 HB2 LEU 22 HB2 LEU 22 0.105 -9.213 11.135 159 HB3 LEU 22 HB3 LEU 22 -0.403 -10.889 11.046 160 HG LEU 22 HG LEU 22 2.065 -9.761 9.720 161 HD11 LEU 22 HD11 LEU 22 3.058 -11.432 11.506 162 HD12 LEU 22 HD12 LEU 22 1.575 -11.019 12.366 163 HD13 LEU 22 HD13 LEU 22 2.711 -9.750 11.907 164 HD21 LEU 22 HD21 LEU 22 2.438 -12.418 9.816 165 HD22 LEU 22 HD22 LEU 22 1.727 -11.586 8.434 166 HD23 LEU 22 HD23 LEU 22 0.686 -12.367 9.624 167 H ASP 23 H ASP 23 -2.335 -7.843 9.214 168 HA ASP 23 HA ASP 23 -4.462 -9.047 10.660 169 HB2 ASP 23 HB2 ASP 23 -3.813 -6.491 10.111 170 HB3 ASP 23 HB3 ASP 23 -5.058 -6.742 8.891 171 H ASP 24 H ASP 24 -5.418 -10.799 9.811 172 HA ASP 24 HA ASP 24 -5.923 -11.059 6.992 173 HB2 ASP 24 HB2 ASP 24 -7.054 -13.189 7.674 174 HB3 ASP 24 HB3 ASP 24 -5.382 -13.057 8.211 175 H THR 25 H THR 25 -7.547 -9.566 9.557 176 HA THR 25 HA THR 25 -10.191 -9.936 8.378 177 HB THR 25 HB THR 25 -11.077 -8.951 10.356 178 HG1 THR 25 HG1 THR 25 -10.015 -7.357 11.177 179 HG21 THR 25 HG21 THR 25 -8.751 -10.337 11.580 180 HG22 THR 25 HG22 THR 25 -9.854 -11.250 10.551 181 HG23 THR 25 HG23 THR 25 -10.464 -10.426 11.986 182 H LYS 26 H LYS 26 -7.897 -8.265 7.227 183 HA LYS 26 HA LYS 26 -9.492 -6.213 6.138 184 HB2 LYS 26 HB2 LYS 26 -8.352 -5.580 8.653 185 HB3 LYS 26 HB3 LYS 26 -7.451 -4.676 7.444 186 HG2 LYS 26 HG2 LYS 26 -9.355 -3.528 6.717 187 HG3 LYS 26 HG3 LYS 26 -10.448 -4.668 7.502 188 HD2 LYS 26 HD2 LYS 26 -8.565 -3.330 9.313 189 HD3 LYS 26 HD3 LYS 26 -9.721 -2.253 8.527 190 HE2 LYS 26 HE2 LYS 26 -11.560 -3.679 9.306 191 HE3 LYS 26 HE3 LYS 26 -10.396 -4.732 10.109 192 HZ1 LYS 26 HZ1 LYS 26 -11.633 -2.720 11.322 193 HZ2 LYS 26 HZ2 LYS 26 -10.243 -1.914 10.796 194 HZ3 LYS 26 HZ3 LYS 26 -10.104 -3.280 11.784 195 H ASP 27 H ASP 27 -8.535 -5.275 4.361 196 HA ASP 27 HA ASP 27 -6.098 -6.538 3.449 197 HB2 ASP 27 HB2 ASP 27 -8.375 -5.214 2.229 198 HB3 ASP 27 HB3 ASP 27 -6.859 -4.631 1.550 199 H VAL 28 H VAL 28 -4.149 -5.568 3.089 200 HA VAL 28 HA VAL 28 -3.895 -2.720 3.773 201 HB VAL 28 HB VAL 28 -1.916 -4.805 4.688 202 HG11 VAL 28 HG11 VAL 28 -2.215 -2.078 5.856 203 HG12 VAL 28 HG12 VAL 28 -1.375 -2.269 4.317 204 HG13 VAL 28 HG13 VAL 28 -0.789 -3.109 5.753 205 HG21 VAL 28 HG21 VAL 28 -3.628 -5.376 6.080 206 HG22 VAL 28 HG22 VAL 28 -4.397 -3.793 5.967 207 HG23 VAL 28 HG23 VAL 28 -2.977 -4.013 6.989 208 H LEU 29 H LEU 29 -2.505 -1.570 2.530 209 HA LEU 29 HA LEU 29 -0.822 -3.052 0.623 210 HB2 LEU 29 HB2 LEU 29 -2.007 -0.491 -0.284 211 HB3 LEU 29 HB3 LEU 29 -1.607 -1.930 -1.202 212 HG LEU 29 HG LEU 29 -3.961 -1.854 0.671 213 HD11 LEU 29 HD11 LEU 29 -4.793 -0.269 -0.690 214 HD12 LEU 29 HD12 LEU 29 -5.086 -1.633 -1.768 215 HD13 LEU 29 HD13 LEU 29 -3.652 -0.629 -1.985 216 HD21 LEU 29 HD21 LEU 29 -3.430 -3.533 -1.773 217 HD22 LEU 29 HD22 LEU 29 -4.726 -3.731 -0.594 218 HD23 LEU 29 HD23 LEU 29 -3.053 -4.039 -0.126 219 H ILE 30 H ILE 30 1.176 -2.618 1.353 220 HA ILE 30 HA ILE 30 1.826 0.155 2.093 221 HB ILE 30 HB ILE 30 2.330 -1.490 3.823 222 HG12 ILE 30 HG12 ILE 30 4.760 -0.310 2.461 223 HG13 ILE 30 HG13 ILE 30 3.787 0.436 3.724 224 HG21 ILE 30 HG21 ILE 30 3.048 -3.129 1.696 225 HG22 ILE 30 HG22 ILE 30 3.191 -3.498 3.414 226 HG23 ILE 30 HG23 ILE 30 4.561 -2.807 2.544 227 HD11 ILE 30 HD11 ILE 30 5.356 -0.323 5.109 228 HD12 ILE 30 HD12 ILE 30 5.983 -1.465 3.922 229 HD13 ILE 30 HD13 ILE 30 4.584 -1.896 4.905 230 H GLU 31 H GLU 31 3.161 1.343 0.867 231 HA GLU 31 HA GLU 31 4.683 -0.043 -1.246 232 HB2 GLU 31 HB2 GLU 31 2.637 1.357 -1.951 233 HB3 GLU 31 HB3 GLU 31 3.624 2.755 -1.547 234 HG2 GLU 31 HG2 GLU 31 4.641 0.657 -3.417 235 HG3 GLU 31 HG3 GLU 31 3.557 1.927 -3.982 236 H PHE 32 H PHE 32 6.792 0.137 -0.980 237 HA PHE 32 HA PHE 32 7.895 2.236 0.701 238 HB2 PHE 32 HB2 PHE 32 8.998 -0.277 -0.528 239 HB3 PHE 32 HB3 PHE 32 10.077 0.944 0.137 240 HD1 PHE 32 HD1 PHE 32 9.570 1.696 2.577 241 HD2 PHE 32 HD2 PHE 32 8.170 -1.931 0.843 242 HE1 PHE 32 HE1 PHE 32 9.258 0.745 4.825 243 HE2 PHE 32 HE2 PHE 32 7.855 -2.887 3.087 244 HZ PHE 32 HZ PHE 32 8.399 -1.550 5.081 245 H TYR 33 H TYR 33 8.763 4.058 -0.064 246 HA TYR 33 HA TYR 33 9.912 4.092 -2.749 247 HB2 TYR 33 HB2 TYR 33 8.672 6.015 -3.464 248 HB3 TYR 33 HB3 TYR 33 7.512 4.812 -2.912 249 HD1 TYR 33 HD1 TYR 33 6.425 5.100 -0.671 250 HD2 TYR 33 HD2 TYR 33 8.810 8.146 -2.442 251 HE1 TYR 33 HE1 TYR 33 5.435 6.755 0.856 252 HE2 TYR 33 HE2 TYR 33 7.829 9.808 -0.920 253 HH TYR 33 HH TYR 33 5.064 9.278 0.848 254 H ALA 34 H ALA 34 11.117 6.136 -3.176 255 HA ALA 34 HA ALA 34 12.025 7.492 -0.742 256 HB1 ALA 34 HB1 ALA 34 13.754 5.985 -0.818 257 HB2 ALA 34 HB2 ALA 34 14.403 7.273 -1.834 258 HB3 ALA 34 HB3 ALA 34 13.694 5.838 -2.575 259 HA PRO 35 HA PRO 35 11.789 11.093 -3.284 260 HB2 PRO 35 HB2 PRO 35 13.610 12.698 -2.059 261 HB3 PRO 35 HB3 PRO 35 12.020 12.343 -1.373 262 HG2 PRO 35 HG2 PRO 35 14.675 11.114 -0.736 263 HG3 PRO 35 HG3 PRO 35 13.386 11.627 0.369 264 HD2 PRO 35 HD2 PRO 35 13.748 9.041 -0.326 265 HD3 PRO 35 HD3 PRO 35 12.140 9.719 0.003 266 H TRP 36 H TRP 36 15.042 9.894 -2.541 267 HA TRP 36 HA TRP 36 16.234 11.222 -4.796 268 HB2 TRP 36 HB2 TRP 36 18.238 9.793 -4.166 269 HB3 TRP 36 HB3 TRP 36 17.664 10.910 -2.932 270 HD1 TRP 36 HD1 TRP 36 16.293 7.366 -3.697 271 HE1 TRP 36 HE1 TRP 36 16.470 5.966 -1.544 272 HE3 TRP 36 HE3 TRP 36 18.677 10.764 -0.712 273 HZ2 TRP 36 HZ2 TRP 36 17.485 6.264 1.073 274 HZ3 TRP 36 HZ3 TRP 36 19.214 10.128 1.603 275 HH2 TRP 36 HH2 TRP 36 18.630 7.924 2.476 276 H CYS 37 H CYS 37 14.264 8.576 -4.589 277 HA CYS 37 HA CYS 37 15.408 6.585 -6.117 278 HB2 CYS 37 HB2 CYS 37 13.244 6.307 -5.041 279 HB3 CYS 37 HB3 CYS 37 12.534 7.527 -6.094 280 H GLY 38 H GLY 38 13.628 9.448 -7.242 281 HA2 GLY 38 HA2 GLY 38 14.192 10.640 -9.220 282 HA3 GLY 38 HA3 GLY 38 14.996 9.197 -9.827 283 H HIS 39 H HIS 39 12.886 7.375 -9.240 284 HA HIS 39 HA HIS 39 10.873 8.245 -11.206 285 HB2 HIS 39 HB2 HIS 39 12.096 5.529 -10.721 286 HB3 HIS 39 HB3 HIS 39 10.617 5.748 -11.652 287 HD1 HIS 39 HD1 HIS 39 14.168 5.540 -12.064 288 HD2 HIS 39 HD2 HIS 39 11.105 7.635 -13.933 289 HE1 HIS 39 HE1 HIS 39 15.101 6.255 -14.287 290 HE2 HIS 39 HE2 HIS 39 13.201 7.445 -15.436 291 H CYS 40 H CYS 40 11.357 7.522 -7.991 292 HA CYS 40 HA CYS 40 8.679 6.415 -7.585 293 HB2 CYS 40 HB2 CYS 40 10.836 6.889 -5.522 294 HB3 CYS 40 HB3 CYS 40 9.369 5.940 -5.323 295 H LYS 41 H LYS 41 10.440 9.354 -7.371 296 HA LYS 41 HA LYS 41 9.219 10.760 -5.353 297 HB2 LYS 41 HB2 LYS 41 11.001 11.400 -7.249 298 HB3 LYS 41 HB3 LYS 41 9.587 12.194 -7.929 299 HG2 LYS 41 HG2 LYS 41 9.789 12.790 -5.131 300 HG3 LYS 41 HG3 LYS 41 11.313 13.154 -5.942 301 HD2 LYS 41 HD2 LYS 41 10.022 14.441 -7.643 302 HD3 LYS 41 HD3 LYS 41 8.572 14.179 -6.672 303 HE2 LYS 41 HE2 LYS 41 10.164 15.163 -4.773 304 HE3 LYS 41 HE3 LYS 41 10.910 15.933 -6.173 305 HZ1 LYS 41 HZ1 LYS 41 8.844 16.963 -4.864 306 HZ2 LYS 41 HZ2 LYS 41 8.012 16.074 -6.038 307 HZ3 LYS 41 HZ3 LYS 41 9.133 17.251 -6.506 308 H ALA 42 H ALA 42 7.889 9.773 -8.410 309 HA ALA 42 HA ALA 42 5.577 11.500 -8.210 310 HB1 ALA 42 HB1 ALA 42 5.134 10.927 -10.350 311 HB2 ALA 42 HB2 ALA 42 5.525 9.227 -10.089 312 HB3 ALA 42 HB3 ALA 42 6.818 10.403 -10.330 313 H LEU 43 H LEU 43 6.485 8.270 -7.326 314 HA LEU 43 HA LEU 43 3.966 7.069 -7.122 315 HB2 LEU 43 HB2 LEU 43 6.613 6.382 -6.534 316 HB3 LEU 43 HB3 LEU 43 5.762 6.231 -5.009 317 HG LEU 43 HG LEU 43 5.805 4.100 -6.159 318 HD11 LEU 43 HD11 LEU 43 3.218 3.881 -6.488 319 HD12 LEU 43 HD12 LEU 43 3.203 5.512 -5.817 320 HD13 LEU 43 HD13 LEU 43 3.897 4.182 -4.888 321 HD21 LEU 43 HD21 LEU 43 4.073 4.383 -8.314 322 HD22 LEU 43 HD22 LEU 43 5.812 4.096 -8.384 323 HD23 LEU 43 HD23 LEU 43 5.186 5.744 -8.457 324 H ALA 44 H ALA 44 5.652 9.288 -5.019 325 HA ALA 44 HA ALA 44 4.133 8.911 -2.682 326 HB1 ALA 44 HB1 ALA 44 4.871 11.552 -2.588 327 HB2 ALA 44 HB2 ALA 44 6.072 10.850 -3.672 328 HB3 ALA 44 HB3 ALA 44 5.853 10.189 -2.052 329 HA PRO 45 HA PRO 45 1.433 12.718 -4.072 330 HB2 PRO 45 HB2 PRO 45 1.566 13.263 -6.776 331 HB3 PRO 45 HB3 PRO 45 2.443 14.150 -5.527 332 HG2 PRO 45 HG2 PRO 45 3.395 11.956 -7.318 333 HG3 PRO 45 HG3 PRO 45 4.238 13.427 -6.799 334 HD2 PRO 45 HD2 PRO 45 4.774 11.040 -5.699 335 HD3 PRO 45 HD3 PRO 45 4.794 12.531 -4.735 336 H LYS 46 H LYS 46 2.044 10.073 -6.318 337 HA LYS 46 HA LYS 46 -0.621 9.920 -7.313 338 HB2 LYS 46 HB2 LYS 46 1.834 8.730 -7.923 339 HB3 LYS 46 HB3 LYS 46 0.810 7.398 -7.408 340 HG2 LYS 46 HG2 LYS 46 0.426 7.478 -9.678 341 HG3 LYS 46 HG3 LYS 46 -0.923 8.418 -9.036 342 HD2 LYS 46 HD2 LYS 46 1.544 9.920 -9.665 343 HD3 LYS 46 HD3 LYS 46 0.654 9.266 -11.042 344 HE2 LYS 46 HE2 LYS 46 -0.668 11.052 -10.906 345 HE3 LYS 46 HE3 LYS 46 -1.305 10.370 -9.410 346 HZ1 LYS 46 HZ1 LYS 46 -0.630 12.454 -8.759 347 HZ2 LYS 46 HZ2 LYS 46 0.723 12.470 -9.773 348 HZ3 LYS 46 HZ3 LYS 46 0.734 11.534 -8.364 349 H TYR 47 H TYR 47 1.036 8.619 -4.540 350 HA TYR 47 HA TYR 47 -1.025 6.698 -3.928 351 HB2 TYR 47 HB2 TYR 47 1.648 7.143 -3.108 352 HB3 TYR 47 HB3 TYR 47 0.648 7.273 -1.665 353 HD1 TYR 47 HD2 TYR 47 1.696 5.042 -4.402 354 HD2 TYR 47 HD1 TYR 47 -0.451 5.353 -0.742 355 HE1 TYR 47 HE2 TYR 47 1.587 2.589 -4.264 356 HE2 TYR 47 HE1 TYR 47 -0.566 2.901 -0.594 357 HH TYR 47 HH TYR 47 0.248 0.861 -3.208 358 H GLU 48 H GLU 48 -0.323 10.008 -3.186 359 HA GLU 48 HA GLU 48 -1.939 10.204 -0.847 360 HB2 GLU 48 HB2 GLU 48 -0.090 11.800 -1.584 361 HB3 GLU 48 HB3 GLU 48 -1.255 12.467 -2.719 362 HG2 GLU 48 HG2 GLU 48 -2.756 12.934 -0.781 363 HG3 GLU 48 HG3 GLU 48 -1.437 12.446 0.282 364 H GLU 49 H GLU 49 -2.481 10.718 -4.291 365 HA GLU 49 HA GLU 49 -5.105 11.781 -4.018 366 HB2 GLU 49 HB2 GLU 49 -3.397 11.768 -6.051 367 HB3 GLU 49 HB3 GLU 49 -4.293 10.320 -6.489 368 HG2 GLU 49 HG2 GLU 49 -6.208 11.469 -6.945 369 HG3 GLU 49 HG3 GLU 49 -5.829 12.769 -5.816 370 H LEU 50 H LEU 50 -3.888 8.552 -4.905 371 HA LEU 50 HA LEU 50 -6.388 7.311 -5.153 372 HB2 LEU 50 HB2 LEU 50 -4.514 6.183 -6.042 373 HB3 LEU 50 HB3 LEU 50 -3.640 6.263 -4.525 374 HG LEU 50 HG LEU 50 -5.320 4.674 -3.555 375 HD11 LEU 50 HD11 LEU 50 -7.235 4.626 -4.749 376 HD12 LEU 50 HD12 LEU 50 -6.397 3.334 -5.608 377 HD13 LEU 50 HD13 LEU 50 -6.422 4.965 -6.277 378 HD21 LEU 50 HD21 LEU 50 -3.529 3.403 -3.993 379 HD22 LEU 50 HD22 LEU 50 -3.300 4.108 -5.593 380 HD23 LEU 50 HD23 LEU 50 -4.472 2.811 -5.361 381 H GLY 51 H GLY 51 -4.355 7.924 -2.354 382 HA2 GLY 51 HA2 GLY 51 -5.694 6.246 -0.524 383 HA3 GLY 51 HA3 GLY 51 -4.727 7.651 -0.104 384 H ALA 52 H ALA 52 -6.256 9.597 -1.488 385 HA ALA 52 HA ALA 52 -8.258 10.108 0.467 386 HB1 ALA 52 HB1 ALA 52 -8.819 11.933 -1.415 387 HB2 ALA 52 HB2 ALA 52 -7.182 11.498 -1.908 388 HB3 ALA 52 HB3 ALA 52 -7.482 12.099 -0.277 389 H LEU 53 H LEU 53 -8.314 8.976 -2.873 390 HA LEU 53 HA LEU 53 -11.154 9.058 -3.132 391 HB2 LEU 53 HB2 LEU 53 -8.902 8.437 -4.786 392 HB3 LEU 53 HB3 LEU 53 -10.070 7.135 -4.912 393 HG LEU 53 HG LEU 53 -11.769 9.117 -5.279 394 HD11 LEU 53 HD11 LEU 53 -9.592 10.642 -4.931 395 HD12 LEU 53 HD12 LEU 53 -10.958 11.117 -5.940 396 HD13 LEU 53 HD13 LEU 53 -9.520 10.415 -6.679 397 HD21 LEU 53 HD21 LEU 53 -11.694 8.664 -7.552 398 HD22 LEU 53 HD22 LEU 53 -10.935 7.237 -6.847 399 HD23 LEU 53 HD23 LEU 53 -9.938 8.502 -7.565 400 H TYR 54 H TYR 54 -8.840 6.386 -2.678 401 HA TYR 54 HA TYR 54 -10.723 4.335 -2.441 402 HB2 TYR 54 HB2 TYR 54 -7.994 4.462 -2.442 403 HB3 TYR 54 HB3 TYR 54 -8.319 4.044 -0.763 404 HD1 TYR 54 HD1 TYR 54 -10.399 2.183 -0.698 405 HD2 TYR 54 HD2 TYR 54 -7.445 2.638 -3.725 406 HE1 TYR 54 HE1 TYR 54 -10.704 -0.170 -1.342 407 HE2 TYR 54 HE2 TYR 54 -7.742 0.286 -4.377 408 HH TYR 54 HH TYR 54 -10.113 -1.467 -3.911 409 H ALA 55 H ALA 55 -9.618 6.712 -0.149 410 HA ALA 55 HA ALA 55 -10.767 5.373 2.137 411 HB1 ALA 55 HB1 ALA 55 -8.740 6.800 2.299 412 HB2 ALA 55 HB2 ALA 55 -10.026 7.270 3.410 413 HB3 ALA 55 HB3 ALA 55 -9.747 8.203 1.940 414 H LYS 56 H LYS 56 -11.742 7.747 -0.206 415 HA LYS 56 HA LYS 56 -14.120 8.443 1.352 416 HB2 LYS 56 HB2 LYS 56 -12.684 9.656 -0.955 417 HB3 LYS 56 HB3 LYS 56 -14.419 9.920 -0.851 418 HG2 LYS 56 HG2 LYS 56 -13.322 10.401 1.716 419 HG3 LYS 56 HG3 LYS 56 -12.327 11.251 0.533 420 HD2 LYS 56 HD2 LYS 56 -14.145 12.507 -0.258 421 HD3 LYS 56 HD3 LYS 56 -15.325 11.426 0.486 422 HE2 LYS 56 HE2 LYS 56 -13.429 12.714 2.336 423 HE3 LYS 56 HE3 LYS 56 -14.564 13.799 1.534 424 HZ1 LYS 56 HZ1 LYS 56 -15.348 12.881 3.693 425 HZ2 LYS 56 HZ2 LYS 56 -15.390 11.346 2.983 426 HZ3 LYS 56 HZ3 LYS 56 -16.391 12.577 2.395 427 H SER 57 H SER 57 -13.810 5.790 0.240 428 HA SER 57 HA SER 57 -16.060 5.791 -1.663 429 HB2 SER 57 HB2 SER 57 -13.579 4.914 -2.280 430 HB3 SER 57 HB3 SER 57 -14.266 3.432 -1.615 431 HG SER 57 HG SER 57 -15.587 3.287 -3.267 432 H GLU 58 H GLU 58 -16.803 3.225 -1.685 433 HA GLU 58 HA GLU 58 -17.834 2.853 1.016 434 HB2 GLU 58 HB2 GLU 58 -19.012 2.648 -1.454 435 HB3 GLU 58 HB3 GLU 58 -18.709 0.964 -1.053 436 HG2 GLU 58 HG2 GLU 58 -19.871 2.517 1.132 437 HG3 GLU 58 HG3 GLU 58 -20.895 2.398 -0.298 438 H PHE 59 H PHE 59 -15.030 2.134 0.141 439 HA PHE 59 HA PHE 59 -15.069 -0.582 1.234 440 HB2 PHE 59 HB2 PHE 59 -13.300 0.180 -1.091 441 HB3 PHE 59 HB3 PHE 59 -13.524 -1.419 -0.391 442 HD1 PHE 59 HD2 PHE 59 -14.956 1.141 -2.568 443 HD2 PHE 59 HD1 PHE 59 -15.492 -2.730 -0.883 444 HE1 PHE 59 HE2 PHE 59 -16.744 0.684 -4.196 445 HE2 PHE 59 HE1 PHE 59 -17.280 -3.194 -2.508 446 HZ PHE 59 HZ PHE 59 -17.909 -1.486 -4.167 447 H LYS 60 H LYS 60 -14.434 2.085 2.315 448 HA LYS 60 HA LYS 60 -11.630 2.396 2.541 449 HB2 LYS 60 HB2 LYS 60 -12.255 3.813 4.558 450 HB3 LYS 60 HB3 LYS 60 -12.942 4.302 3.015 451 HG2 LYS 60 HG2 LYS 60 -15.000 4.122 3.808 452 HG3 LYS 60 HG3 LYS 60 -14.707 2.463 4.332 453 HD2 LYS 60 HD2 LYS 60 -14.331 3.072 6.471 454 HD3 LYS 60 HD3 LYS 60 -13.474 4.543 6.008 455 HE2 LYS 60 HE2 LYS 60 -15.569 5.027 7.195 456 HE3 LYS 60 HE3 LYS 60 -15.575 5.659 5.549 457 HZ1 LYS 60 HZ1 LYS 60 -17.671 4.586 6.117 458 HZ2 LYS 60 HZ2 LYS 60 -16.867 3.130 6.422 459 HZ3 LYS 60 HZ3 LYS 60 -16.896 3.767 4.856 460 H ASP 61 H ASP 61 -14.012 0.591 4.375 461 HA ASP 61 HA ASP 61 -12.175 -0.079 6.488 462 HB2 ASP 61 HB2 ASP 61 -14.021 -1.640 7.199 463 HB3 ASP 61 HB3 ASP 61 -14.490 0.054 7.083 464 H ARG 62 H ARG 62 -13.212 -1.468 3.468 465 HA ARG 62 HA ARG 62 -12.272 -4.108 3.949 466 HB2 ARG 62 HB2 ARG 62 -13.734 -2.845 1.957 467 HB3 ARG 62 HB3 ARG 62 -12.236 -3.290 1.151 468 HG2 ARG 62 HG2 ARG 62 -12.556 -5.616 1.932 469 HG3 ARG 62 HG3 ARG 62 -14.112 -5.136 2.612 470 HD2 ARG 62 1HD ARG 62 -14.108 -4.209 -0.035 471 HD3 ARG 62 2HD ARG 62 -13.438 -5.838 -0.094 472 HE ARG 62 HE ARG 62 -15.499 -6.675 0.460 473 HH11 ARG 62 HH11 ARG 62 -15.472 -3.235 1.049 474 HH12 ARG 62 HH12 ARG 62 -17.175 -3.147 1.346 475 HH21 ARG 62 HH21 ARG 62 -17.739 -6.561 0.851 476 HH22 ARG 62 HH22 ARG 62 -18.462 -5.034 1.235 477 H VAL 63 H VAL 63 -10.930 -1.451 1.979 478 HA VAL 63 HA VAL 63 -8.271 -2.682 2.312 479 HB VAL 63 HB VAL 63 -9.105 -0.858 0.058 480 HG11 VAL 63 HG11 VAL 63 -6.721 -0.866 0.512 481 HG12 VAL 63 HG12 VAL 63 -7.056 -1.694 -1.008 482 HG13 VAL 63 HG13 VAL 63 -6.694 -2.628 0.443 483 HG21 VAL 63 HG21 VAL 63 -8.601 -3.623 -0.668 484 HG22 VAL 63 HG22 VAL 63 -9.949 -2.570 -1.097 485 HG23 VAL 63 HG23 VAL 63 -9.975 -3.460 0.425 486 H VAL 64 H VAL 64 -6.499 -1.331 2.716 487 HA VAL 64 HA VAL 64 -7.109 1.468 3.367 488 HB VAL 64 HB VAL 64 -7.167 0.193 5.466 489 HG11 VAL 64 HG11 VAL 64 -5.647 -1.334 6.083 490 HG12 VAL 64 HG12 VAL 64 -4.291 -0.356 5.522 491 HG13 VAL 64 HG13 VAL 64 -5.199 -1.343 4.377 492 HG21 VAL 64 HG21 VAL 64 -5.921 1.701 6.710 493 HG22 VAL 64 HG22 VAL 64 -6.151 2.561 5.188 494 HG23 VAL 64 HG23 VAL 64 -4.617 1.758 5.524 495 H ILE 65 H ILE 65 -5.755 2.793 2.367 496 HA ILE 65 HA ILE 65 -3.365 1.779 1.105 497 HB ILE 65 HB ILE 65 -4.306 4.644 1.207 498 HG12 ILE 65 HG12 ILE 65 -6.081 3.136 0.347 499 HG13 ILE 65 HG13 ILE 65 -5.470 4.235 -0.886 500 HG21 ILE 65 HG21 ILE 65 -2.722 3.335 -0.975 501 HG22 ILE 65 HG22 ILE 65 -1.935 4.000 0.457 502 HG23 ILE 65 HG23 ILE 65 -2.886 5.049 -0.595 503 HD11 ILE 65 HD11 ILE 65 -5.781 1.530 -1.152 504 HD12 ILE 65 HD12 ILE 65 -4.056 1.696 -0.827 505 HD13 ILE 65 HD13 ILE 65 -4.786 2.561 -2.179 506 H ALA 66 H ALA 66 -1.390 1.815 1.941 507 HA ALA 66 HA ALA 66 -0.801 3.731 4.100 508 HB1 ALA 66 HB1 ALA 66 -1.082 1.101 4.567 509 HB2 ALA 66 HB2 ALA 66 0.015 2.139 5.479 510 HB3 ALA 66 HB3 ALA 66 0.632 1.152 4.154 511 H LYS 67 H LYS 67 0.907 4.980 3.743 512 HA LYS 67 HA LYS 67 2.777 4.198 1.608 513 HB2 LYS 67 HB2 LYS 67 3.257 6.586 1.343 514 HB3 LYS 67 HB3 LYS 67 1.543 6.256 1.135 515 HG2 LYS 67 HG2 LYS 67 0.961 7.519 2.885 516 HG3 LYS 67 HG3 LYS 67 2.302 6.942 3.875 517 HD2 LYS 67 HD2 LYS 67 3.575 8.445 1.965 518 HD3 LYS 67 HD3 LYS 67 2.080 9.346 2.226 519 HE2 LYS 67 HE2 LYS 67 2.673 9.974 4.304 520 HE3 LYS 67 HE3 LYS 67 3.401 8.411 4.676 521 HZ1 LYS 67 HZ1 LYS 67 4.854 10.557 4.415 522 HZ2 LYS 67 HZ2 LYS 67 4.776 10.163 2.773 523 HZ3 LYS 67 HZ3 LYS 67 5.419 9.055 3.877 524 H VAL 68 H VAL 68 4.949 4.183 1.974 525 HA VAL 68 HA VAL 68 6.043 5.233 4.439 526 HB VAL 68 HB VAL 68 5.238 3.026 5.147 527 HG11 VAL 68 HG11 VAL 68 5.228 1.739 3.182 528 HG12 VAL 68 HG12 VAL 68 6.477 1.017 4.196 529 HG13 VAL 68 HG13 VAL 68 6.929 2.070 2.856 530 HG21 VAL 68 HG21 VAL 68 7.353 2.178 6.061 531 HG22 VAL 68 HG22 VAL 68 7.235 3.933 6.196 532 HG23 VAL 68 HG23 VAL 68 8.242 3.211 4.941 533 H ASP 69 H ASP 69 8.324 5.348 4.444 534 HA ASP 69 HA ASP 69 9.471 5.423 1.781 535 HB2 ASP 69 HB2 ASP 69 10.180 6.529 4.449 536 HB3 ASP 69 HB3 ASP 69 11.509 6.215 3.337 537 H ALA 70 H ALA 70 11.293 4.258 1.117 538 HA ALA 70 HA ALA 70 11.536 1.642 2.253 539 HB1 ALA 70 HB1 ALA 70 13.558 2.518 0.294 540 HB2 ALA 70 HB2 ALA 70 11.878 2.604 -0.236 541 HB3 ALA 70 HB3 ALA 70 12.550 1.071 0.320 542 H THR 71 H THR 71 12.189 3.216 4.309 543 HA THR 71 HA THR 71 15.052 2.709 4.638 544 HB THR 71 HB THR 71 15.527 4.832 5.516 545 HG1 THR 71 HG1 THR 71 13.910 5.293 6.871 546 HG21 THR 71 HG21 THR 71 14.521 6.521 3.935 547 HG22 THR 71 HG22 THR 71 13.624 5.179 3.224 548 HG23 THR 71 HG23 THR 71 15.388 5.174 3.197 549 H ALA 72 H ALA 72 12.392 1.535 5.540 550 HA ALA 72 HA ALA 72 12.189 2.017 8.339 551 HB1 ALA 72 HB1 ALA 72 10.421 0.564 8.320 552 HB2 ALA 72 HB2 ALA 72 11.166 -0.502 7.129 553 HB3 ALA 72 HB3 ALA 72 10.460 1.032 6.620 554 H ASN 73 H ASN 73 12.121 -0.193 9.716 555 HA ASN 73 HA ASN 73 14.749 -1.477 9.357 556 HB2 ASN 73 HB2 ASN 73 14.643 -1.659 11.952 557 HB3 ASN 73 HB3 ASN 73 15.117 -0.129 11.222 558 HD21 ASN 73 HD21 ASN 73 13.609 1.581 11.177 559 HD22 ASN 73 HD22 ASN 73 12.288 1.634 12.290 560 H ASP 74 H ASP 74 14.943 -3.646 10.049 561 HA ASP 74 HA ASP 74 14.253 -5.815 10.110 562 HB2 ASP 74 HB2 ASP 74 12.254 -4.509 11.956 563 HB3 ASP 74 HB3 ASP 74 12.345 -6.254 11.732 564 H VAL 75 H VAL 75 13.591 -4.977 7.757 565 HA VAL 75 HA VAL 75 10.966 -6.163 7.275 566 HB VAL 75 HB VAL 75 11.752 -3.530 6.024 567 HG11 VAL 75 HG11 VAL 75 8.965 -4.466 5.961 568 HG12 VAL 75 HG12 VAL 75 10.103 -5.413 5.002 569 HG13 VAL 75 HG13 VAL 75 9.930 -3.682 4.710 570 HG21 VAL 75 HG21 VAL 75 9.607 -2.851 7.400 571 HG22 VAL 75 HG22 VAL 75 11.212 -2.818 8.129 572 HG23 VAL 75 HG23 VAL 75 10.133 -4.179 8.433 573 HA PRO 76 HA PRO 76 14.053 -7.876 4.351 574 HB2 PRO 76 HB2 PRO 76 12.726 -10.223 3.983 575 HB3 PRO 76 HB3 PRO 76 13.822 -9.935 5.339 576 HG2 PRO 76 HG2 PRO 76 10.832 -9.778 5.254 577 HG3 PRO 76 HG3 PRO 76 11.880 -10.498 6.492 578 HD2 PRO 76 HD2 PRO 76 10.769 -8.060 6.794 579 HD3 PRO 76 HD3 PRO 76 12.375 -8.451 7.443 580 H ASP 77 H ASP 77 13.150 -6.105 2.974 581 HA ASP 77 HA ASP 77 11.110 -7.088 1.097 582 HB2 ASP 77 HB2 ASP 77 10.977 -4.647 0.409 583 HB3 ASP 77 HB3 ASP 77 10.402 -5.022 2.031 584 H GLU 78 H GLU 78 12.650 -8.388 -0.042 585 HA GLU 78 HA GLU 78 14.880 -7.104 -1.356 586 HB2 GLU 78 HB2 GLU 78 15.144 -9.361 -2.447 587 HB3 GLU 78 HB3 GLU 78 15.234 -9.365 -0.691 588 HG2 GLU 78 HG2 GLU 78 13.415 -10.646 -0.474 589 HG3 GLU 78 HG3 GLU 78 12.546 -9.806 -1.758 590 H ILE 79 H ILE 79 14.557 -5.849 -3.071 591 HA ILE 79 HA ILE 79 12.720 -6.781 -5.157 592 HB ILE 79 HB ILE 79 11.849 -4.546 -5.529 593 HG12 ILE 79 HG12 ILE 79 13.949 -3.443 -4.495 594 HG13 ILE 79 HG13 ILE 79 12.396 -2.654 -4.265 595 HG21 ILE 79 HG21 ILE 79 10.283 -4.527 -3.792 596 HG22 ILE 79 HG22 ILE 79 11.438 -5.163 -2.621 597 HG23 ILE 79 HG23 ILE 79 10.816 -6.204 -3.898 598 HD11 ILE 79 HD11 ILE 79 13.708 -2.613 -2.232 599 HD12 ILE 79 HD12 ILE 79 13.824 -4.371 -2.246 600 HD13 ILE 79 HD13 ILE 79 12.260 -3.594 -2.012 601 H GLN 80 H GLN 80 13.085 -5.769 -7.258 602 HA GLN 80 HA GLN 80 15.926 -5.432 -7.740 603 HB2 GLN 80 HB2 GLN 80 15.353 -5.607 -10.098 604 HB3 GLN 80 HB3 GLN 80 14.589 -6.907 -9.193 605 HG2 GLN 80 HG2 GLN 80 12.489 -5.587 -9.175 606 HG3 GLN 80 HG3 GLN 80 13.277 -4.401 -10.215 607 HE21 GLN 80 HE21 GLN 80 11.414 -7.159 -10.129 608 HE22 GLN 80 HE22 GLN 80 11.583 -7.650 -11.777 609 H GLY 81 H GLY 81 13.012 -3.509 -7.697 610 HA2 GLY 81 HA2 GLY 81 14.661 -1.141 -8.316 611 HA3 GLY 81 HA3 GLY 81 13.080 -1.351 -9.053 612 H PHE 82 H PHE 82 14.292 0.678 -7.142 613 HA PHE 82 HA PHE 82 13.378 0.606 -4.628 614 HB2 PHE 82 HB2 PHE 82 14.030 2.678 -6.497 615 HB3 PHE 82 HB3 PHE 82 12.788 3.190 -5.347 616 HD1 PHE 82 HD2 PHE 82 13.228 2.330 -2.895 617 HD2 PHE 82 HD1 PHE 82 16.184 2.993 -5.878 618 HE1 PHE 82 HE2 PHE 82 14.957 2.554 -1.142 619 HE2 PHE 82 HE1 PHE 82 17.903 3.190 -4.162 620 HZ PHE 82 HZ PHE 82 17.305 2.987 -1.772 621 HA PRO 83 HA PRO 83 9.173 2.123 -5.472 622 HB2 PRO 83 HB2 PRO 83 7.935 1.388 -7.813 623 HB3 PRO 83 HB3 PRO 83 8.714 2.948 -7.546 624 HG2 PRO 83 HG2 PRO 83 9.757 0.531 -8.948 625 HG3 PRO 83 HG3 PRO 83 9.942 2.242 -9.373 626 HD2 PRO 83 HD2 PRO 83 11.893 0.805 -8.150 627 HD3 PRO 83 HD3 PRO 83 11.685 2.548 -7.902 628 H THR 84 H THR 84 9.515 0.370 -3.995 629 HA THR 84 HA THR 84 8.755 -2.300 -4.669 630 HB THR 84 HB THR 84 9.714 -0.809 -2.287 631 HG1 THR 84 HG1 THR 84 11.330 -2.000 -2.770 632 HG21 THR 84 HG21 THR 84 9.300 -2.662 -0.756 633 HG22 THR 84 HG22 THR 84 8.309 -3.460 -1.978 634 HG23 THR 84 HG23 THR 84 7.790 -1.922 -1.289 635 H ILE 85 H ILE 85 6.840 -3.304 -4.387 636 HA ILE 85 HA ILE 85 4.669 -1.841 -3.048 637 HB ILE 85 HB ILE 85 4.285 -3.379 -5.616 638 HG12 ILE 85 HG12 ILE 85 3.932 -0.431 -5.540 639 HG13 ILE 85 HG13 ILE 85 5.587 -1.027 -5.544 640 HG21 ILE 85 HG21 ILE 85 2.080 -2.247 -5.600 641 HG22 ILE 85 HG22 ILE 85 2.462 -1.606 -4.002 642 HG23 ILE 85 HG23 ILE 85 2.316 -3.347 -4.243 643 HD11 ILE 85 HD11 ILE 85 3.730 -0.804 -7.708 644 HD12 ILE 85 HD12 ILE 85 4.259 -2.476 -7.528 645 HD13 ILE 85 HD13 ILE 85 5.450 -1.193 -7.741 646 H LYS 86 H LYS 86 4.252 -3.062 -1.319 647 HA LYS 86 HA LYS 86 4.249 -5.985 -1.610 648 HB2 LYS 86 HB2 LYS 86 4.460 -4.204 0.817 649 HB3 LYS 86 HB3 LYS 86 4.232 -5.944 0.922 650 HG2 LYS 86 HG2 LYS 86 6.361 -5.835 -0.729 651 HG3 LYS 86 HG3 LYS 86 6.627 -4.384 0.240 652 HD2 LYS 86 HD2 LYS 86 6.863 -5.576 2.201 653 HD3 LYS 86 HD3 LYS 86 5.930 -6.948 1.602 654 HE2 LYS 86 HE2 LYS 86 8.735 -6.170 0.820 655 HE3 LYS 86 HE3 LYS 86 8.244 -7.583 1.752 656 HZ1 LYS 86 HZ1 LYS 86 6.811 -7.932 -0.458 657 HZ2 LYS 86 HZ2 LYS 86 8.365 -8.567 -0.252 658 HZ3 LYS 86 HZ3 LYS 86 8.149 -7.128 -1.113 659 H LEU 87 H LEU 87 2.375 -6.992 -1.771 660 HA LEU 87 HA LEU 87 -0.060 -5.612 -0.877 661 HB2 LEU 87 HB2 LEU 87 0.560 -6.822 -3.292 662 HB3 LEU 87 HB3 LEU 87 -0.446 -8.010 -2.487 663 HG LEU 87 HG LEU 87 -1.770 -6.549 -3.929 664 HD11 LEU 87 HD11 LEU 87 -3.480 -5.947 -2.334 665 HD12 LEU 87 HD12 LEU 87 -2.314 -6.017 -1.013 666 HD13 LEU 87 HD13 LEU 87 -2.758 -7.490 -1.875 667 HD21 LEU 87 HD21 LEU 87 -1.862 -4.246 -3.748 668 HD22 LEU 87 HD22 LEU 87 -0.150 -4.573 -3.478 669 HD23 LEU 87 HD23 LEU 87 -1.212 -4.244 -2.109 670 H TYR 88 H TYR 88 -1.316 -6.446 0.683 671 HA TYR 88 HA TYR 88 -0.820 -9.206 1.567 672 HB2 TYR 88 HB2 TYR 88 -0.655 -6.694 3.159 673 HB3 TYR 88 HB3 TYR 88 -1.350 -8.113 3.937 674 HD1 TYR 88 HD1 TYR 88 0.032 -10.205 4.111 675 HD2 TYR 88 HD2 TYR 88 1.681 -6.492 2.847 676 HE1 TYR 88 HE1 TYR 88 2.290 -11.050 4.595 677 HE2 TYR 88 HE2 TYR 88 3.944 -7.328 3.326 678 HH TYR 88 HH TYR 88 4.578 -10.634 4.004 679 HA PRO 89 HA PRO 89 -5.329 -8.684 1.050 680 HB2 PRO 89 HB2 PRO 89 -5.827 -11.144 0.104 681 HB3 PRO 89 HB3 PRO 89 -5.144 -9.878 -0.923 682 HG2 PRO 89 HG2 PRO 89 -3.768 -12.156 0.443 683 HG3 PRO 89 HG3 PRO 89 -3.528 -11.525 -1.196 684 HD2 PRO 89 HD2 PRO 89 -1.907 -10.919 0.935 685 HD3 PRO 89 HD3 PRO 89 -2.119 -9.869 -0.479 686 H ALA 90 H ALA 90 -6.978 -9.294 2.395 687 HA ALA 90 HA ALA 90 -6.259 -10.654 4.818 688 HB1 ALA 90 HB1 ALA 90 -9.072 -10.260 4.664 689 HB2 ALA 90 HB2 ALA 90 -8.272 -8.836 4.000 690 HB3 ALA 90 HB3 ALA 90 -7.885 -9.385 5.630 691 H GLY 91 H GLY 91 -6.971 -12.624 5.574 692 HA2 GLY 91 HA2 GLY 91 -8.254 -14.614 5.498 693 HA3 GLY 91 HA3 GLY 91 -8.667 -14.254 3.828 694 H ALA 92 H ALA 92 -6.005 -13.731 2.929 695 HA ALA 92 HA ALA 92 -4.762 -16.385 3.225 696 HB1 ALA 92 HB1 ALA 92 -4.473 -15.050 0.610 697 HB2 ALA 92 HB2 ALA 92 -6.076 -15.678 0.993 698 HB3 ALA 92 HB3 ALA 92 -4.681 -16.758 1.000 699 H LYS 93 H LYS 93 -4.285 -13.423 4.143 700 HA LYS 93 HA LYS 93 -1.925 -12.475 3.027 701 HB2 LYS 93 HB2 LYS 93 -1.561 -11.537 5.451 702 HB3 LYS 93 HB3 LYS 93 -2.873 -10.936 4.452 703 HG2 LYS 93 HG2 LYS 93 -3.559 -11.335 6.768 704 HG3 LYS 93 HG3 LYS 93 -4.457 -12.336 5.630 705 HD2 LYS 93 HD2 LYS 93 -2.002 -13.548 6.714 706 HD3 LYS 93 HD3 LYS 93 -3.285 -13.262 7.889 707 HE2 LYS 93 HE2 LYS 93 -4.715 -14.336 5.873 708 HE3 LYS 93 HE3 LYS 93 -3.170 -15.147 5.623 709 HZ1 LYS 93 HZ1 LYS 93 -3.270 -15.724 8.054 710 HZ2 LYS 93 HZ2 LYS 93 -4.405 -16.503 7.071 711 HZ3 LYS 93 HZ3 LYS 93 -4.879 -15.201 8.040 712 H GLY 94 H GLY 94 0.072 -12.255 4.799 713 HA2 GLY 94 HA2 GLY 94 1.511 -13.553 6.231 714 HA3 GLY 94 HA3 GLY 94 0.798 -15.009 5.553 715 H GLN 95 H GLN 95 1.029 -13.515 2.844 716 HA GLN 95 HA GLN 95 3.887 -14.087 2.431 717 HB2 GLN 95 HB2 GLN 95 3.007 -14.564 -0.011 718 HB3 GLN 95 HB3 GLN 95 2.966 -15.809 1.228 719 HG2 GLN 95 HG2 GLN 95 0.883 -15.945 0.211 720 HG3 GLN 95 HG3 GLN 95 0.576 -15.027 1.683 721 HE21 GLN 95 HE21 GLN 95 -0.392 -13.116 1.510 722 HE22 GLN 95 HE22 GLN 95 -0.671 -12.264 0.033 723 HA PRO 96 HA PRO 96 3.758 -9.767 1.183 724 HB2 PRO 96 HB2 PRO 96 6.418 -9.500 0.727 725 HB3 PRO 96 HB3 PRO 96 5.720 -9.492 2.351 726 HG2 PRO 96 HG2 PRO 96 7.059 -11.727 0.876 727 HG3 PRO 96 HG3 PRO 96 7.243 -11.236 2.570 728 HD2 PRO 96 HD2 PRO 96 5.692 -13.325 1.816 729 HD3 PRO 96 HD3 PRO 96 5.312 -12.311 3.223 730 H VAL 97 H VAL 97 2.924 -9.392 -0.781 731 HA VAL 97 HA VAL 97 3.852 -10.797 -3.120 732 HB VAL 97 HB VAL 97 1.928 -8.473 -3.022 733 HG11 VAL 97 HG11 VAL 97 3.043 -9.445 -5.206 734 HG12 VAL 97 HG12 VAL 97 1.342 -8.983 -5.172 735 HG13 VAL 97 HG13 VAL 97 1.798 -10.679 -5.013 736 HG21 VAL 97 HG21 VAL 97 1.159 -11.379 -3.001 737 HG22 VAL 97 HG22 VAL 97 0.139 -9.970 -2.710 738 HG23 VAL 97 HG23 VAL 97 1.349 -10.444 -1.518 739 H THR 98 H THR 98 5.788 -10.229 -3.901 740 HA THR 98 HA THR 98 6.638 -7.449 -3.868 741 HB THR 98 HB THR 98 8.351 -9.402 -5.247 742 HG1 THR 98 HG1 THR 98 7.716 -10.860 -3.773 743 HG21 THR 98 HG21 THR 98 9.937 -8.549 -3.403 744 HG22 THR 98 HG22 THR 98 8.690 -7.333 -3.124 745 HG23 THR 98 HG23 THR 98 9.463 -7.457 -4.704 746 H TYR 99 H TYR 99 5.879 -6.186 -5.432 747 HA TYR 99 HA TYR 99 4.969 -7.131 -7.947 748 HB2 TYR 99 HB2 TYR 99 5.441 -4.432 -6.744 749 HB3 TYR 99 HB3 TYR 99 5.141 -4.563 -8.473 750 HD1 TYR 99 HD1 TYR 99 3.642 -6.528 -5.688 751 HD2 TYR 99 HD2 TYR 99 3.019 -3.647 -8.756 752 HE1 TYR 99 HE1 TYR 99 1.222 -6.601 -5.256 753 HE2 TYR 99 HE2 TYR 99 0.596 -3.712 -8.333 754 HH TYR 99 HH TYR 99 -0.866 -6.106 -6.378 755 H SER 100 H SER 100 5.838 -5.714 -9.944 756 HA SER 100 HA SER 100 8.718 -6.295 -10.108 757 HB2 SER 100 HB2 SER 100 7.162 -7.585 -11.626 758 HB3 SER 100 HB3 SER 100 6.789 -6.058 -12.425 759 HG SER 100 HG SER 100 9.287 -7.385 -12.273 760 H GLY 101 H GLY 101 6.245 -3.884 -10.568 761 HA2 GLY 101 HA2 GLY 101 7.959 -1.709 -10.328 762 HA3 GLY 101 HA3 GLY 101 7.777 -2.016 -12.049 763 H SER 102 H SER 102 6.883 0.221 -10.243 764 HA SER 102 HA SER 102 3.988 0.077 -10.753 765 HB2 SER 102 HB2 SER 102 5.208 0.668 -8.407 766 HB3 SER 102 HB3 SER 102 5.044 2.285 -9.089 767 HG SER 102 HG SER 102 2.882 0.466 -8.991 768 H ARG 103 H ARG 103 3.158 2.553 -10.906 769 HA ARG 103 HA ARG 103 4.688 4.449 -12.257 770 HB2 ARG 103 HB2 ARG 103 3.796 4.175 -14.572 771 HB3 ARG 103 HB3 ARG 103 4.903 2.902 -14.080 772 HG2 ARG 103 HG2 ARG 103 3.252 1.309 -13.991 773 HG3 ARG 103 HG3 ARG 103 1.972 2.496 -13.730 774 HD2 ARG 103 1HD ARG 103 1.714 1.668 -15.943 775 HD3 ARG 103 2HD ARG 103 2.371 3.299 -16.073 776 HE ARG 103 HE ARG 103 4.370 1.228 -16.082 777 HH11 ARG 103 HH11 ARG 103 2.180 3.110 -18.044 778 HH12 ARG 103 HH12 ARG 103 3.097 2.892 -19.496 779 HH21 ARG 103 HH21 ARG 103 5.576 0.942 -17.992 780 HH22 ARG 103 HH22 ARG 103 5.024 1.661 -19.468 781 H THR 104 H THR 104 1.524 2.962 -11.871 782 HA THR 104 HA THR 104 0.383 5.587 -11.358 783 HB THR 104 HB THR 104 -0.989 3.744 -13.310 784 HG1 THR 104 HG1 THR 104 0.571 4.347 -14.599 785 HG21 THR 104 HG21 THR 104 -2.219 5.622 -12.041 786 HG22 THR 104 HG22 THR 104 -2.431 5.477 -13.786 787 HG23 THR 104 HG23 THR 104 -1.345 6.701 -13.128 788 H VAL 105 H VAL 105 -1.497 5.538 -10.095 789 HA VAL 105 HA VAL 105 -1.701 3.350 -8.314 790 HB VAL 105 HB VAL 105 -3.759 4.556 -7.476 791 HG11 VAL 105 HG11 VAL 105 -1.667 6.622 -7.546 792 HG12 VAL 105 HG12 VAL 105 -1.133 5.023 -7.030 793 HG13 VAL 105 HG13 VAL 105 -2.442 5.835 -6.172 794 HG21 VAL 105 HG21 VAL 105 -2.920 6.737 -9.370 795 HG22 VAL 105 HG22 VAL 105 -4.351 6.672 -8.342 796 HG23 VAL 105 HG23 VAL 105 -4.219 5.603 -9.739 797 H GLU 106 H GLU 106 -3.351 4.174 -11.260 798 HA GLU 106 HA GLU 106 -5.703 2.693 -10.952 799 HB2 GLU 106 HB2 GLU 106 -5.865 2.737 -13.378 800 HB3 GLU 106 HB3 GLU 106 -5.320 4.299 -12.782 801 HG2 GLU 106 HG2 GLU 106 -2.972 3.541 -13.300 802 HG3 GLU 106 HG3 GLU 106 -3.695 2.169 -14.138 803 H ASP 107 H ASP 107 -2.463 1.717 -11.890 804 HA ASP 107 HA ASP 107 -3.224 -0.933 -12.674 805 HB2 ASP 107 HB2 ASP 107 -1.184 0.305 -13.506 806 HB3 ASP 107 HB3 ASP 107 -0.459 0.025 -11.926 807 H LEU 108 H LEU 108 -2.183 0.613 -9.724 808 HA LEU 108 HA LEU 108 -1.521 -1.757 -8.303 809 HB2 LEU 108 HB2 LEU 108 -0.693 0.426 -7.612 810 HB3 LEU 108 HB3 LEU 108 -2.330 0.974 -7.305 811 HG LEU 108 HG LEU 108 -2.321 -1.111 -5.650 812 HD11 LEU 108 HD11 LEU 108 0.189 -1.382 -6.509 813 HD12 LEU 108 HD12 LEU 108 -0.310 -1.800 -4.870 814 HD13 LEU 108 HD13 LEU 108 0.471 -0.250 -5.185 815 HD21 LEU 108 HD21 LEU 108 -1.600 0.472 -3.862 816 HD22 LEU 108 HD22 LEU 108 -2.831 1.118 -4.947 817 HD23 LEU 108 HD23 LEU 108 -1.148 1.615 -5.126 818 H ILE 109 H ILE 109 -4.407 0.330 -8.254 819 HA ILE 109 HA ILE 109 -5.910 -1.157 -6.437 820 HB ILE 109 HB ILE 109 -6.566 1.086 -7.117 821 HG12 ILE 109 HG12 ILE 109 -8.612 -1.052 -7.750 822 HG13 ILE 109 HG13 ILE 109 -8.320 -0.295 -6.189 823 HG21 ILE 109 HG21 ILE 109 -7.488 -0.027 -9.750 824 HG22 ILE 109 HG22 ILE 109 -5.890 0.690 -9.538 825 HG23 ILE 109 HG23 ILE 109 -7.336 1.661 -9.259 826 HD11 ILE 109 HD11 ILE 109 -10.086 0.956 -6.765 827 HD12 ILE 109 HD12 ILE 109 -9.875 0.647 -8.489 828 HD13 ILE 109 HD13 ILE 109 -8.893 1.872 -7.686 829 H LYS 110 H LYS 110 -5.776 -1.376 -9.982 830 HA LYS 110 HA LYS 110 -7.748 -3.316 -10.329 831 HB2 LYS 110 HB2 LYS 110 -6.630 -1.971 -12.134 832 HB3 LYS 110 HB3 LYS 110 -5.241 -3.039 -11.990 833 HG2 LYS 110 HG2 LYS 110 -6.628 -4.942 -12.623 834 HG3 LYS 110 HG3 LYS 110 -8.031 -3.879 -12.750 835 HD2 LYS 110 HD2 LYS 110 -6.462 -2.549 -14.390 836 HD3 LYS 110 HD3 LYS 110 -5.649 -4.109 -14.527 837 HE2 LYS 110 HE2 LYS 110 -7.762 -5.157 -15.167 838 HE3 LYS 110 HE3 LYS 110 -8.582 -3.604 -15.016 839 HZ1 LYS 110 HZ1 LYS 110 -7.389 -2.743 -16.842 840 HZ2 LYS 110 HZ2 LYS 110 -7.930 -4.270 -17.327 841 HZ3 LYS 110 HZ3 LYS 110 -6.316 -4.051 -16.872 842 H PHE 111 H PHE 111 -4.331 -3.648 -9.540 843 HA PHE 111 HA PHE 111 -4.235 -6.474 -9.835 844 HB2 PHE 111 HB2 PHE 111 -2.393 -4.417 -9.325 845 HB3 PHE 111 HB3 PHE 111 -2.307 -5.479 -7.924 846 HD1 PHE 111 HD2 PHE 111 -2.397 -5.677 -11.648 847 HD2 PHE 111 HD1 PHE 111 -0.872 -7.268 -8.007 848 HE1 PHE 111 HE2 PHE 111 -0.985 -7.236 -12.925 849 HE2 PHE 111 HE1 PHE 111 0.543 -8.830 -9.277 850 HZ PHE 111 HZ PHE 111 0.487 -8.815 -11.740 851 H ILE 112 H ILE 112 -4.735 -4.323 -7.066 852 HA ILE 112 HA ILE 112 -4.713 -6.236 -5.038 853 HB ILE 112 HB ILE 112 -6.418 -3.744 -5.137 854 HG12 ILE 112 HG12 ILE 112 -3.813 -3.832 -3.703 855 HG13 ILE 112 HG13 ILE 112 -3.759 -3.731 -5.459 856 HG21 ILE 112 HG21 ILE 112 -7.215 -4.712 -3.254 857 HG22 ILE 112 HG22 ILE 112 -5.748 -4.025 -2.557 858 HG23 ILE 112 HG23 ILE 112 -5.785 -5.722 -3.037 859 HD11 ILE 112 HD11 ILE 112 -4.256 -1.575 -5.419 860 HD12 ILE 112 HD12 ILE 112 -4.032 -1.635 -3.671 861 HD13 ILE 112 HD13 ILE 112 -5.641 -1.844 -4.362 862 H ALA 113 H ALA 113 -7.169 -5.444 -7.380 863 HA ALA 113 HA ALA 113 -9.243 -6.912 -5.998 864 HB1 ALA 113 HB1 ALA 113 -9.320 -4.862 -7.771 865 HB2 ALA 113 HB2 ALA 113 -10.684 -5.921 -7.408 866 HB3 ALA 113 HB3 ALA 113 -9.676 -6.234 -8.822 867 H GLU 114 H GLU 114 -6.893 -7.476 -8.504 868 HA GLU 114 HA GLU 114 -8.120 -9.896 -9.461 869 HB2 GLU 114 HB2 GLU 114 -5.643 -8.364 -10.050 870 HB3 GLU 114 HB3 GLU 114 -5.630 -10.082 -10.428 871 HG2 GLU 114 HG2 GLU 114 -8.061 -9.033 -11.403 872 HG3 GLU 114 HG3 GLU 114 -6.777 -7.928 -11.893 873 H ASN 115 H ASN 115 -5.792 -9.018 -7.031 874 HA ASN 115 HA ASN 115 -5.369 -11.875 -6.441 875 HB2 ASN 115 HB2 ASN 115 -3.497 -9.634 -5.669 876 HB3 ASN 115 HB3 ASN 115 -3.191 -11.367 -5.597 877 HD21 ASN 115 HD21 ASN 115 -4.012 -8.803 -7.896 878 HD22 ASN 115 HD22 ASN 115 -3.062 -9.427 -9.197 879 H GLY 116 H GLY 116 -7.479 -9.936 -5.518 880 HA2 GLY 116 HA2 GLY 116 -6.985 -10.254 -2.622 881 HA3 GLY 116 HA3 GLY 116 -7.759 -8.822 -3.282 882 H LYS 117 H LYS 117 -8.400 -11.508 -1.623 883 HA LYS 117 HA LYS 117 -10.661 -12.593 -2.940 884 HB2 LYS 117 HB2 LYS 117 -9.455 -12.792 -0.236 885 HB3 LYS 117 HB3 LYS 117 -11.157 -13.215 -0.371 886 HG2 LYS 117 HG2 LYS 117 -10.601 -14.847 -2.115 887 HG3 LYS 117 HG3 LYS 117 -8.894 -14.439 -1.937 888 HD2 LYS 117 HD2 LYS 117 -9.118 -16.341 -0.619 889 HD3 LYS 117 HD3 LYS 117 -9.251 -15.029 0.554 890 HE2 LYS 117 HE2 LYS 117 -11.734 -15.192 0.335 891 HE3 LYS 117 HE3 LYS 117 -11.499 -16.624 -0.666 892 HZ1 LYS 117 HZ1 LYS 117 -10.180 -16.586 1.937 893 HZ2 LYS 117 HZ2 LYS 117 -10.889 -17.875 1.103 894 HZ3 LYS 117 HZ3 LYS 117 -11.862 -16.768 1.932 895 H TYR 118 H TYR 118 -10.206 -9.910 -0.743 896 HA TYR 118 HA TYR 118 -12.869 -9.513 0.038 897 HB2 TYR 118 HB2 TYR 118 -10.371 -7.996 0.114 898 HB3 TYR 118 HB3 TYR 118 -11.789 -6.968 -0.062 899 HD1 TYR 118 HD2 TYR 118 -13.815 -8.277 1.529 900 HD2 TYR 118 HD1 TYR 118 -9.654 -7.855 2.308 901 HE1 TYR 118 HE2 TYR 118 -14.254 -8.465 3.941 902 HE2 TYR 118 HE1 TYR 118 -10.082 -8.043 4.723 903 HH TYR 118 HH TYR 118 -11.730 -8.870 6.244 904 H LYS 119 H LYS 119 -11.172 -8.713 -2.898 905 HA LYS 119 HA LYS 119 -13.321 -7.012 -3.861 906 HB2 LYS 119 HB2 LYS 119 -10.627 -7.807 -4.905 907 HB3 LYS 119 HB3 LYS 119 -11.815 -7.097 -5.989 908 HG2 LYS 119 HG2 LYS 119 -11.207 -5.722 -3.420 909 HG3 LYS 119 HG3 LYS 119 -10.056 -5.606 -4.753 910 HD2 LYS 119 HD2 LYS 119 -11.315 -3.876 -5.429 911 HD3 LYS 119 HD3 LYS 119 -12.431 -5.113 -6.012 912 HE2 LYS 119 HE2 LYS 119 -13.651 -3.496 -4.709 913 HE3 LYS 119 HE3 LYS 119 -13.600 -5.026 -3.835 914 HZ1 LYS 119 HZ1 LYS 119 -12.404 -2.468 -3.163 915 HZ2 LYS 119 HZ2 LYS 119 -11.441 -3.824 -2.853 916 HZ3 LYS 119 HZ3 LYS 119 -12.974 -3.697 -2.150 917 H ALA 120 H ALA 120 -12.318 -10.308 -4.065 918 HA ALA 120 HA ALA 120 -13.195 -12.131 -5.104 919 HB1 ALA 120 HB1 ALA 120 -15.507 -12.238 -5.381 920 HB2 ALA 120 HB2 ALA 120 -15.635 -10.524 -5.776 921 HB3 ALA 120 HB3 ALA 120 -15.294 -11.024 -4.119 922 H ALA 121 H ALA 121 -11.664 -12.079 -6.788 923 HA ALA 121 HA ALA 121 -12.748 -12.000 -9.390 924 HB1 ALA 121 HB1 ALA 121 -11.312 -9.569 -8.459 925 HB2 ALA 121 HB2 ALA 121 -12.672 -9.725 -9.571 926 HB3 ALA 121 HB3 ALA 121 -11.041 -10.119 -10.113 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -5.223 21.803 6.341 2 H2 GLY 1 2H GLY 1 -4.491 21.223 7.751 3 H3 GLY 1 3H GLY 1 -5.358 22.674 7.785 4 HA2 GLY 1 HA3 GLY 1 -7.033 21.438 8.562 5 HA3 GLY 1 HA2 GLY 1 -7.240 21.020 6.868 6 HA PRO 2 HA PRO 2 -6.109 17.353 9.915 7 HB2 PRO 2 HB2 PRO 2 -8.976 16.738 9.374 8 HB3 PRO 2 HB3 PRO 2 -8.029 16.487 10.845 9 HG2 PRO 2 HG2 PRO 2 -9.778 18.486 10.686 10 HG3 PRO 2 HG3 PRO 2 -8.220 18.703 11.506 11 HD2 PRO 2 HD2 PRO 2 -9.101 19.661 8.820 12 HD3 PRO 2 HD3 PRO 2 -8.034 20.442 10.005 13 H LEU 3 H LEU 3 -8.207 17.626 7.066 14 HA LEU 3 HA LEU 3 -7.747 15.024 6.076 15 HB2 LEU 3 HB2 LEU 3 -8.657 17.580 4.779 16 HB3 LEU 3 HB3 LEU 3 -8.466 16.098 3.863 17 HG LEU 3 HG LEU 3 -10.805 16.541 4.570 18 HD11 LEU 3 HD11 LEU 3 -9.288 14.092 5.216 19 HD12 LEU 3 HD12 LEU 3 -10.659 14.330 4.133 20 HD13 LEU 3 HD13 LEU 3 -10.921 14.206 5.872 21 HD21 LEU 3 HD21 LEU 3 -10.184 17.574 6.758 22 HD22 LEU 3 HD22 LEU 3 -9.813 15.956 7.353 23 HD23 LEU 3 HD23 LEU 3 -11.458 16.358 6.860 24 H GLY 4 H GLY 4 -5.703 14.341 5.775 25 HA2 GLY 4 HA2 GLY 4 -4.209 15.118 3.563 26 HA3 GLY 4 HA3 GLY 4 -3.564 16.004 4.937 27 H SER 5 H SER 5 -2.436 14.915 6.540 28 HA SER 5 HA SER 5 -1.228 12.444 5.695 29 HB2 SER 5 HB2 SER 5 -0.806 14.319 8.005 30 HB3 SER 5 HB3 SER 5 -0.043 12.729 7.993 31 HG SER 5 HG SER 5 0.185 14.580 5.859 32 H GLU 6 H GLU 6 -3.637 13.441 8.014 33 HA GLU 6 HA GLU 6 -3.734 10.754 9.169 34 HB2 GLU 6 HB2 GLU 6 -5.207 13.269 9.970 35 HB3 GLU 6 HB3 GLU 6 -5.255 11.737 10.830 36 HG2 GLU 6 HG2 GLU 6 -2.565 12.811 10.381 37 HG3 GLU 6 HG3 GLU 6 -3.597 13.792 11.420 38 H GLY 7 H GLY 7 -4.735 11.623 6.414 39 HA2 GLY 7 HA2 GLY 7 -7.443 10.494 6.739 40 HA3 GLY 7 HA3 GLY 7 -7.144 11.846 5.659 41 HA PRO 8 HA PRO 8 -6.752 8.994 2.303 42 HB2 PRO 8 HB2 PRO 8 -4.592 10.817 1.364 43 HB3 PRO 8 HB3 PRO 8 -6.023 10.231 0.508 44 HG2 PRO 8 HG2 PRO 8 -5.918 12.728 1.427 45 HG3 PRO 8 HG3 PRO 8 -7.421 11.789 1.506 46 HD2 PRO 8 HD2 PRO 8 -5.483 12.455 3.677 47 HD3 PRO 8 HD3 PRO 8 -7.253 12.327 3.742 48 H VAL 9 H VAL 9 -3.532 10.380 2.979 49 HA VAL 9 HA VAL 9 -2.242 7.860 2.533 50 HB VAL 9 HB VAL 9 -0.190 9.088 3.359 51 HG11 VAL 9 HG11 VAL 9 -1.821 9.734 0.988 52 HG12 VAL 9 HG12 VAL 9 -0.170 9.123 1.101 53 HG13 VAL 9 HG13 VAL 9 -0.493 10.839 1.345 54 HG21 VAL 9 HG21 VAL 9 -1.752 10.733 4.660 55 HG22 VAL 9 HG22 VAL 9 -1.770 11.607 3.128 56 HG23 VAL 9 HG23 VAL 9 -0.241 11.310 3.955 57 H THR 10 H THR 10 -1.156 6.564 4.026 58 HA THR 10 HA THR 10 -1.820 7.043 6.855 59 HB THR 10 HB THR 10 -1.741 4.325 5.541 60 HG1 THR 10 HG1 THR 10 -3.895 4.430 5.345 61 HG21 THR 10 HG21 THR 10 -2.332 3.405 7.501 62 HG22 THR 10 HG22 THR 10 -3.288 4.802 7.995 63 HG23 THR 10 HG23 THR 10 -1.533 4.831 8.163 64 H VAL 11 H VAL 11 -0.280 6.485 8.369 65 HA VAL 11 HA VAL 11 2.430 6.338 7.383 66 HB VAL 11 HB VAL 11 1.509 6.283 10.257 67 HG11 VAL 11 HG11 VAL 11 3.876 7.547 10.273 68 HG12 VAL 11 HG12 VAL 11 4.120 6.476 8.894 69 HG13 VAL 11 HG13 VAL 11 3.707 5.803 10.471 70 HG21 VAL 11 HG21 VAL 11 1.793 8.531 8.324 71 HG22 VAL 11 HG22 VAL 11 2.241 8.798 10.008 72 HG23 VAL 11 HG23 VAL 11 0.603 8.285 9.602 73 H VAL 12 H VAL 12 3.884 4.680 7.674 74 HA VAL 12 HA VAL 12 2.978 2.220 8.970 75 HB VAL 12 HB VAL 12 4.137 2.151 6.187 76 HG11 VAL 12 HG11 VAL 12 4.583 0.115 7.229 77 HG12 VAL 12 HG12 VAL 12 3.088 -0.190 6.344 78 HG13 VAL 12 HG13 VAL 12 3.039 0.105 8.082 79 HG21 VAL 12 HG21 VAL 12 1.933 1.705 5.335 80 HG22 VAL 12 HG22 VAL 12 1.899 3.234 6.214 81 HG23 VAL 12 HG23 VAL 12 1.245 1.774 6.957 82 H VAL 13 H VAL 13 4.534 2.318 10.536 83 HA VAL 13 HA VAL 13 7.337 2.498 9.665 84 HB VAL 13 HB VAL 13 6.666 4.134 11.371 85 HG11 VAL 13 HG11 VAL 13 6.312 3.148 13.728 86 HG12 VAL 13 HG12 VAL 13 5.855 1.676 12.873 87 HG13 VAL 13 HG13 VAL 13 4.955 3.168 12.603 88 HG21 VAL 13 HG21 VAL 13 8.545 3.899 12.753 89 HG22 VAL 13 HG22 VAL 13 8.978 3.054 11.267 90 HG23 VAL 13 HG23 VAL 13 8.481 2.137 12.689 91 H ALA 14 H ALA 14 8.895 1.093 10.832 92 HA ALA 14 HA ALA 14 8.476 -1.565 10.453 93 HB1 ALA 14 HB1 ALA 14 10.657 -0.488 10.918 94 HB2 ALA 14 HB2 ALA 14 10.410 -1.992 11.805 95 HB3 ALA 14 HB3 ALA 14 10.228 -0.443 12.628 96 H LYS 15 H LYS 15 7.661 0.276 13.345 97 HA LYS 15 HA LYS 15 6.894 -2.108 14.802 98 HB2 LYS 15 HB2 LYS 15 7.212 0.768 15.423 99 HB3 LYS 15 HB3 LYS 15 6.012 -0.103 16.368 100 HG2 LYS 15 HG2 LYS 15 7.925 -1.829 16.713 101 HG3 LYS 15 HG3 LYS 15 8.968 -0.482 16.251 102 HD2 LYS 15 HD2 LYS 15 7.605 0.840 18.026 103 HD3 LYS 15 HD3 LYS 15 7.173 -0.761 18.630 104 HE2 LYS 15 HE2 LYS 15 10.003 0.176 18.191 105 HE3 LYS 15 HE3 LYS 15 9.163 0.262 19.739 106 HZ1 LYS 15 HZ1 LYS 15 10.383 -1.711 19.812 107 HZ2 LYS 15 HZ2 LYS 15 9.977 -2.146 18.229 108 HZ3 LYS 15 HZ3 LYS 15 8.810 -2.218 19.451 109 H ASN 16 H ASN 16 5.386 -0.184 12.511 110 HA ASN 16 HA ASN 16 2.722 -0.769 13.618 111 HB2 ASN 16 HB2 ASN 16 3.703 1.642 12.767 112 HB3 ASN 16 HB3 ASN 16 2.851 1.074 11.335 113 HD21 ASN 16 HD21 ASN 16 0.608 0.449 11.601 114 HD22 ASN 16 HD22 ASN 16 -0.356 1.256 12.786 115 H TYR 17 H TYR 17 4.561 -0.715 10.577 116 HA TYR 17 HA TYR 17 2.751 -1.725 8.817 117 HB2 TYR 17 HB2 TYR 17 4.515 -1.896 7.439 118 HB3 TYR 17 HB3 TYR 17 5.470 -1.293 8.787 119 HD1 TYR 17 HD2 TYR 17 4.441 -4.328 6.961 120 HD2 TYR 17 HD1 TYR 17 7.029 -2.707 9.920 121 HE1 TYR 17 HE2 TYR 17 5.753 -6.408 6.940 122 HE2 TYR 17 HE1 TYR 17 8.355 -4.780 9.904 123 HH TYR 17 HH TYR 17 8.411 -6.911 7.617 124 H ASN 18 H ASN 18 4.789 -3.669 10.990 125 HA ASN 18 HA ASN 18 4.051 -6.191 10.186 126 HB2 ASN 18 HB2 ASN 18 4.860 -6.987 12.252 127 HB3 ASN 18 HB3 ASN 18 5.765 -5.509 11.952 128 HD21 ASN 18 HD21 ASN 18 4.286 -3.517 12.795 129 HD22 ASN 18 HD22 ASN 18 3.852 -3.682 14.455 130 H GLU 19 H GLU 19 2.235 -3.961 12.206 131 HA GLU 19 HA GLU 19 0.282 -5.899 13.001 132 HB2 GLU 19 HB2 GLU 19 0.932 -3.747 14.223 133 HB3 GLU 19 HB3 GLU 19 -0.094 -2.915 13.062 134 HG2 GLU 19 HG2 GLU 19 -2.012 -4.193 13.794 135 HG3 GLU 19 HG3 GLU 19 -1.000 -5.117 14.903 136 H ILE 20 H ILE 20 0.020 -3.016 10.902 137 HA ILE 20 HA ILE 20 -2.551 -3.485 9.982 138 HB ILE 20 HB ILE 20 -1.970 -2.075 8.034 139 HG12 ILE 20 HG12 ILE 20 0.824 -2.264 9.188 140 HG13 ILE 20 HG13 ILE 20 0.296 -2.824 7.604 141 HG21 ILE 20 HG21 ILE 20 -0.998 -1.119 10.721 142 HG22 ILE 20 HG22 ILE 20 -2.643 -1.025 10.093 143 HG23 ILE 20 HG23 ILE 20 -1.360 -0.071 9.350 144 HD11 ILE 20 HD11 ILE 20 1.195 -0.870 6.954 145 HD12 ILE 20 HD12 ILE 20 0.966 -0.113 8.531 146 HD13 ILE 20 HD13 ILE 20 -0.389 -0.246 7.411 147 H VAL 21 H VAL 21 0.507 -4.547 8.533 148 HA VAL 21 HA VAL 21 -0.638 -5.794 6.277 149 HB VAL 21 HB VAL 21 1.518 -6.853 5.946 150 HG11 VAL 21 HG11 VAL 21 2.905 -4.882 5.817 151 HG12 VAL 21 HG12 VAL 21 1.897 -4.053 7.003 152 HG13 VAL 21 HG13 VAL 21 1.243 -4.453 5.415 153 HG21 VAL 21 HG21 VAL 21 1.832 -6.280 8.833 154 HG22 VAL 21 HG22 VAL 21 3.270 -6.123 7.825 155 HG23 VAL 21 HG23 VAL 21 2.394 -7.653 7.882 156 H LEU 22 H LEU 22 0.174 -6.993 9.502 157 HA LEU 22 HA LEU 22 -0.387 -9.725 8.868 158 HB2 LEU 22 HB2 LEU 22 0.048 -8.226 11.433 159 HB3 LEU 22 HB3 LEU 22 -0.424 -9.914 11.433 160 HG LEU 22 HG LEU 22 2.073 -8.819 10.133 161 HD11 LEU 22 HD11 LEU 22 1.760 -10.408 12.676 162 HD12 LEU 22 HD12 LEU 22 2.123 -8.684 12.589 163 HD13 LEU 22 HD13 LEU 22 3.275 -9.861 11.956 164 HD21 LEU 22 HD21 LEU 22 2.500 -11.450 10.390 165 HD22 LEU 22 HD22 LEU 22 1.799 -10.724 8.944 166 HD23 LEU 22 HD23 LEU 22 0.752 -11.462 10.157 167 H ASP 23 H ASP 23 -2.373 -7.056 9.373 168 HA ASP 23 HA ASP 23 -4.498 -8.076 10.859 169 HB2 ASP 23 HB2 ASP 23 -3.989 -5.697 9.672 170 HB3 ASP 23 HB3 ASP 23 -5.206 -6.337 8.572 171 H ASP 24 H ASP 24 -5.352 -10.022 10.461 172 HA ASP 24 HA ASP 24 -5.691 -11.037 7.793 173 HB2 ASP 24 HB2 ASP 24 -6.765 -12.975 8.970 174 HB3 ASP 24 HB3 ASP 24 -5.128 -12.615 9.511 175 H THR 25 H THR 25 -7.517 -9.022 9.806 176 HA THR 25 HA THR 25 -9.998 -9.715 8.380 177 HB THR 25 HB THR 25 -11.184 -8.579 10.231 178 HG1 THR 25 HG1 THR 25 -9.331 -7.248 10.814 179 HG21 THR 25 HG21 THR 25 -11.239 -10.388 11.545 180 HG22 THR 25 HG22 THR 25 -9.490 -10.408 11.772 181 HG23 THR 25 HG23 THR 25 -10.197 -11.088 10.306 182 H LYS 26 H LYS 26 -7.718 -7.928 7.532 183 HA LYS 26 HA LYS 26 -9.319 -5.859 6.414 184 HB2 LYS 26 HB2 LYS 26 -7.829 -5.303 8.878 185 HB3 LYS 26 HB3 LYS 26 -7.476 -4.180 7.571 186 HG2 LYS 26 HG2 LYS 26 -9.481 -3.195 7.708 187 HG3 LYS 26 HG3 LYS 26 -10.327 -4.724 7.956 188 HD2 LYS 26 HD2 LYS 26 -8.963 -4.475 10.298 189 HD3 LYS 26 HD3 LYS 26 -9.305 -2.787 9.913 190 HE2 LYS 26 HE2 LYS 26 -11.709 -3.553 9.508 191 HE3 LYS 26 HE3 LYS 26 -11.243 -5.046 10.321 192 HZ1 LYS 26 HZ1 LYS 26 -11.678 -2.397 11.421 193 HZ2 LYS 26 HZ2 LYS 26 -10.355 -3.237 12.057 194 HZ3 LYS 26 HZ3 LYS 26 -11.902 -3.916 12.131 195 H ASP 27 H ASP 27 -8.472 -5.290 4.510 196 HA ASP 27 HA ASP 27 -5.879 -6.338 3.771 197 HB2 ASP 27 HB2 ASP 27 -7.926 -4.797 2.160 198 HB3 ASP 27 HB3 ASP 27 -6.468 -5.534 1.503 199 H VAL 28 H VAL 28 -4.048 -5.203 3.407 200 HA VAL 28 HA VAL 28 -4.175 -2.271 3.562 201 HB VAL 28 HB VAL 28 -2.074 -3.912 4.977 202 HG11 VAL 28 HG11 VAL 28 -1.515 -1.768 6.044 203 HG12 VAL 28 HG12 VAL 28 -2.727 -0.968 5.043 204 HG13 VAL 28 HG13 VAL 28 -1.315 -1.711 4.293 205 HG21 VAL 28 HG21 VAL 28 -4.473 -2.499 6.141 206 HG22 VAL 28 HG22 VAL 28 -3.186 -3.277 7.061 207 HG23 VAL 28 HG23 VAL 28 -4.247 -4.245 6.040 208 H LEU 29 H LEU 29 -2.609 -1.159 2.398 209 HA LEU 29 HA LEU 29 -0.859 -2.806 0.694 210 HB2 LEU 29 HB2 LEU 29 -2.001 -0.242 -0.324 211 HB3 LEU 29 HB3 LEU 29 -1.417 -1.630 -1.220 212 HG LEU 29 HG LEU 29 -3.748 -2.319 0.363 213 HD11 LEU 29 HD11 LEU 29 -4.423 -0.038 0.118 214 HD12 LEU 29 HD12 LEU 29 -5.356 -1.017 -1.013 215 HD13 LEU 29 HD13 LEU 29 -4.003 -0.047 -1.595 216 HD21 LEU 29 HD21 LEU 29 -3.271 -3.794 -1.330 217 HD22 LEU 29 HD22 LEU 29 -2.822 -2.519 -2.463 218 HD23 LEU 29 HD23 LEU 29 -4.521 -2.807 -2.087 219 H ILE 30 H ILE 30 1.143 -2.408 1.406 220 HA ILE 30 HA ILE 30 1.871 0.369 2.064 221 HB ILE 30 HB ILE 30 2.223 -1.229 3.895 222 HG12 ILE 30 HG12 ILE 30 4.745 -0.139 2.627 223 HG13 ILE 30 HG13 ILE 30 3.705 0.680 3.788 224 HG21 ILE 30 HG21 ILE 30 2.952 -2.997 1.932 225 HG22 ILE 30 HG22 ILE 30 3.177 -3.237 3.664 226 HG23 ILE 30 HG23 ILE 30 4.497 -2.599 2.685 227 HD11 ILE 30 HD11 ILE 30 5.265 -0.008 5.245 228 HD12 ILE 30 HD12 ILE 30 5.801 -1.333 4.211 229 HD13 ILE 30 HD13 ILE 30 4.352 -1.516 5.198 230 H GLU 31 H GLU 31 2.911 1.414 0.527 231 HA GLU 31 HA GLU 31 4.623 -0.123 -1.313 232 HB2 GLU 31 HB2 GLU 31 2.530 1.416 -2.002 233 HB3 GLU 31 HB3 GLU 31 3.797 2.634 -2.019 234 HG2 GLU 31 HG2 GLU 31 4.819 1.749 -3.833 235 HG3 GLU 31 HG3 GLU 31 4.377 0.096 -3.411 236 H PHE 32 H PHE 32 6.732 0.147 -1.130 237 HA PHE 32 HA PHE 32 7.791 2.309 0.495 238 HB2 PHE 32 HB2 PHE 32 8.925 -0.222 -0.654 239 HB3 PHE 32 HB3 PHE 32 10.001 1.041 -0.065 240 HD1 PHE 32 HD1 PHE 32 9.421 1.931 2.349 241 HD2 PHE 32 HD2 PHE 32 8.249 -1.856 0.804 242 HE1 PHE 32 HE1 PHE 32 9.157 1.081 4.643 243 HE2 PHE 32 HE2 PHE 32 7.982 -2.713 3.095 244 HZ PHE 32 HZ PHE 32 8.435 -1.244 5.018 245 H TYR 33 H TYR 33 8.838 4.059 -0.255 246 HA TYR 33 HA TYR 33 9.980 4.098 -2.915 247 HB2 TYR 33 HB2 TYR 33 8.681 5.956 -3.740 248 HB3 TYR 33 HB3 TYR 33 7.576 4.670 -3.267 249 HD1 TYR 33 HD1 TYR 33 6.367 4.870 -1.054 250 HD2 TYR 33 HD2 TYR 33 8.525 8.103 -2.785 251 HE1 TYR 33 HE1 TYR 33 5.147 6.448 0.385 252 HE2 TYR 33 HE2 TYR 33 7.312 9.689 -1.351 253 HH TYR 33 HH TYR 33 5.473 8.726 1.311 254 H ALA 34 H ALA 34 11.005 6.288 -3.362 255 HA ALA 34 HA ALA 34 11.751 7.702 -0.908 256 HB1 ALA 34 HB1 ALA 34 13.581 6.306 -0.950 257 HB2 ALA 34 HB2 ALA 34 14.166 7.671 -1.902 258 HB3 ALA 34 HB3 ALA 34 13.601 6.209 -2.711 259 HA PRO 35 HA PRO 35 11.300 11.270 -3.470 260 HB2 PRO 35 HB2 PRO 35 12.876 13.037 -2.146 261 HB3 PRO 35 HB3 PRO 35 11.302 12.512 -1.537 262 HG2 PRO 35 HG2 PRO 35 14.039 11.562 -0.780 263 HG3 PRO 35 HG3 PRO 35 12.653 11.928 0.265 264 HD2 PRO 35 HD2 PRO 35 13.320 9.399 -0.433 265 HD3 PRO 35 HD3 PRO 35 11.640 9.899 -0.156 266 H TRP 36 H TRP 36 14.654 10.616 -2.455 267 HA TRP 36 HA TRP 36 15.780 11.965 -4.717 268 HB2 TRP 36 HB2 TRP 36 17.926 10.949 -3.902 269 HB3 TRP 36 HB3 TRP 36 17.069 11.907 -2.698 270 HD1 TRP 36 HD1 TRP 36 17.292 8.150 -3.684 271 HE1 TRP 36 HE1 TRP 36 17.248 6.766 -1.515 272 HE3 TRP 36 HE3 TRP 36 16.756 11.950 -0.306 273 HZ2 TRP 36 HZ2 TRP 36 17.016 7.224 1.261 274 HZ3 TRP 36 HZ3 TRP 36 16.630 11.392 2.087 275 HH2 TRP 36 HH2 TRP 36 16.757 9.077 2.852 276 H CYS 37 H CYS 37 14.229 9.043 -4.454 277 HA CYS 37 HA CYS 37 15.717 7.178 -5.811 278 HB2 CYS 37 HB2 CYS 37 13.556 6.626 -4.877 279 HB3 CYS 37 HB3 CYS 37 12.749 7.730 -5.987 280 H GLY 38 H GLY 38 13.597 9.659 -7.237 281 HA2 GLY 38 HA2 GLY 38 14.132 10.836 -9.236 282 HA3 GLY 38 HA3 GLY 38 15.202 9.517 -9.692 283 H HIS 39 H HIS 39 13.336 7.423 -9.106 284 HA HIS 39 HA HIS 39 11.399 7.829 -11.288 285 HB2 HIS 39 HB2 HIS 39 13.428 6.046 -11.332 286 HB3 HIS 39 HB3 HIS 39 12.186 5.065 -10.561 287 HD1 HIS 39 HD1 HIS 39 12.681 7.119 -13.716 288 HD2 HIS 39 HD2 HIS 39 10.420 3.935 -12.294 289 HE1 HIS 39 HE1 HIS 39 11.420 6.247 -15.709 290 HE2 HIS 39 HE2 HIS 39 9.996 4.374 -14.807 291 H CYS 40 H CYS 40 11.673 7.508 -8.011 292 HA CYS 40 HA CYS 40 9.155 6.035 -7.706 293 HB2 CYS 40 HB2 CYS 40 11.068 6.885 -5.529 294 HB3 CYS 40 HB3 CYS 40 9.742 5.737 -5.396 295 H LYS 41 H LYS 41 10.527 9.179 -7.552 296 HA LYS 41 HA LYS 41 9.014 10.517 -5.695 297 HB2 LYS 41 HB2 LYS 41 10.824 11.283 -7.518 298 HB3 LYS 41 HB3 LYS 41 9.369 11.867 -8.315 299 HG2 LYS 41 HG2 LYS 41 9.777 12.527 -5.445 300 HG3 LYS 41 HG3 LYS 41 10.729 13.385 -6.659 301 HD2 LYS 41 HD2 LYS 41 7.859 13.162 -7.258 302 HD3 LYS 41 HD3 LYS 41 8.251 14.130 -5.835 303 HE2 LYS 41 HE2 LYS 41 9.521 14.510 -8.541 304 HE3 LYS 41 HE3 LYS 41 8.124 15.422 -7.971 305 HZ1 LYS 41 HZ1 LYS 41 9.372 16.558 -6.447 306 HZ2 LYS 41 HZ2 LYS 41 10.519 16.355 -7.673 307 HZ3 LYS 41 HZ3 LYS 41 10.548 15.348 -6.315 308 H ALA 42 H ALA 42 7.992 9.198 -8.742 309 HA ALA 42 HA ALA 42 5.568 10.695 -8.956 310 HB1 ALA 42 HB1 ALA 42 6.835 8.454 -10.393 311 HB2 ALA 42 HB2 ALA 42 6.039 9.899 -11.015 312 HB3 ALA 42 HB3 ALA 42 5.075 8.527 -10.470 313 H LEU 43 H LEU 43 6.534 7.769 -7.339 314 HA LEU 43 HA LEU 43 4.025 6.573 -6.968 315 HB2 LEU 43 HB2 LEU 43 6.665 6.078 -6.179 316 HB3 LEU 43 HB3 LEU 43 5.768 6.227 -4.679 317 HG LEU 43 HG LEU 43 5.193 4.294 -6.925 318 HD11 LEU 43 HD11 LEU 43 5.940 2.596 -5.477 319 HD12 LEU 43 HD12 LEU 43 5.982 3.686 -4.092 320 HD13 LEU 43 HD13 LEU 43 7.161 3.865 -5.391 321 HD21 LEU 43 HD21 LEU 43 3.809 3.991 -4.356 322 HD22 LEU 43 HD22 LEU 43 3.218 3.762 -6.001 323 HD23 LEU 43 HD23 LEU 43 3.305 5.383 -5.313 324 H ALA 44 H ALA 44 5.550 9.280 -5.407 325 HA ALA 44 HA ALA 44 4.042 9.350 -3.034 326 HB1 ALA 44 HB1 ALA 44 5.848 10.734 -2.891 327 HB2 ALA 44 HB2 ALA 44 4.605 11.917 -3.295 328 HB3 ALA 44 HB3 ALA 44 5.682 11.307 -4.550 329 HA PRO 45 HA PRO 45 1.111 12.565 -5.220 330 HB2 PRO 45 HB2 PRO 45 1.215 12.481 -7.981 331 HB3 PRO 45 HB3 PRO 45 2.022 13.689 -6.977 332 HG2 PRO 45 HG2 PRO 45 3.133 11.218 -8.234 333 HG3 PRO 45 HG3 PRO 45 3.872 12.821 -8.064 334 HD2 PRO 45 HD2 PRO 45 4.557 10.779 -6.462 335 HD3 PRO 45 HD3 PRO 45 4.477 12.447 -5.858 336 H LYS 46 H LYS 46 1.866 9.634 -7.080 337 HA LYS 46 HA LYS 46 -0.747 9.052 -7.914 338 HB2 LYS 46 HB2 LYS 46 1.823 7.655 -7.795 339 HB3 LYS 46 HB3 LYS 46 0.444 6.579 -7.615 340 HG2 LYS 46 HG2 LYS 46 1.184 6.800 -9.946 341 HG3 LYS 46 HG3 LYS 46 -0.480 7.337 -9.708 342 HD2 LYS 46 HD2 LYS 46 1.552 9.438 -9.407 343 HD3 LYS 46 HD3 LYS 46 1.432 8.752 -11.028 344 HE2 LYS 46 HE2 LYS 46 -0.409 9.929 -11.418 345 HE3 LYS 46 HE3 LYS 46 -1.200 9.197 -10.022 346 HZ1 LYS 46 HZ1 LYS 46 0.705 11.383 -9.575 347 HZ2 LYS 46 HZ2 LYS 46 -0.666 10.952 -8.684 348 HZ3 LYS 46 HZ3 LYS 46 -0.838 11.763 -10.158 349 H TYR 47 H TYR 47 0.885 8.553 -4.881 350 HA TYR 47 HA TYR 47 -1.103 6.735 -3.850 351 HB2 TYR 47 HB2 TYR 47 1.528 7.476 -3.140 352 HB3 TYR 47 HB3 TYR 47 0.502 7.932 -1.784 353 HD1 TYR 47 HD2 TYR 47 1.663 5.122 -3.859 354 HD2 TYR 47 HD1 TYR 47 -0.542 6.272 -0.408 355 HE1 TYR 47 HE2 TYR 47 1.635 2.783 -3.104 356 HE2 TYR 47 HE1 TYR 47 -0.575 3.935 0.357 357 HH TYR 47 HH TYR 47 -0.394 1.633 -0.748 358 H GLU 48 H GLU 48 -0.590 10.154 -3.947 359 HA GLU 48 HA GLU 48 -2.290 10.796 -1.733 360 HB2 GLU 48 HB2 GLU 48 -0.410 12.197 -3.015 361 HB3 GLU 48 HB3 GLU 48 -1.813 12.776 -3.901 362 HG2 GLU 48 HG2 GLU 48 -2.238 14.208 -2.277 363 HG3 GLU 48 HG3 GLU 48 -2.470 12.865 -1.159 364 H GLU 49 H GLU 49 -2.697 10.428 -5.198 365 HA GLU 49 HA GLU 49 -5.361 11.488 -5.245 366 HB2 GLU 49 HB2 GLU 49 -3.508 11.107 -7.163 367 HB3 GLU 49 HB3 GLU 49 -4.474 9.657 -7.401 368 HG2 GLU 49 HG2 GLU 49 -6.490 11.185 -7.500 369 HG3 GLU 49 HG3 GLU 49 -5.344 12.521 -7.605 370 H LEU 50 H LEU 50 -4.125 8.198 -5.883 371 HA LEU 50 HA LEU 50 -6.616 6.930 -5.756 372 HB2 LEU 50 HB2 LEU 50 -4.788 5.794 -6.771 373 HB3 LEU 50 HB3 LEU 50 -3.816 5.912 -5.318 374 HG LEU 50 HG LEU 50 -5.302 4.327 -4.180 375 HD11 LEU 50 HD11 LEU 50 -7.355 4.924 -5.424 376 HD12 LEU 50 HD12 LEU 50 -7.067 3.185 -5.350 377 HD13 LEU 50 HD13 LEU 50 -6.713 4.075 -6.831 378 HD21 LEU 50 HD21 LEU 50 -4.445 2.416 -5.174 379 HD22 LEU 50 HD22 LEU 50 -3.330 3.668 -5.721 380 HD23 LEU 50 HD23 LEU 50 -4.590 3.075 -6.803 381 H GLY 51 H GLY 51 -4.406 7.915 -3.250 382 HA2 GLY 51 HA2 GLY 51 -5.431 6.287 -1.166 383 HA3 GLY 51 HA3 GLY 51 -4.498 7.762 -0.959 384 H ALA 52 H ALA 52 -6.140 9.635 -2.127 385 HA ALA 52 HA ALA 52 -8.043 10.069 -0.061 386 HB1 ALA 52 HB1 ALA 52 -8.566 12.119 -1.193 387 HB2 ALA 52 HB2 ALA 52 -7.809 11.545 -2.679 388 HB3 ALA 52 HB3 ALA 52 -6.820 11.874 -1.256 389 H LEU 53 H LEU 53 -8.214 8.719 -3.269 390 HA LEU 53 HA LEU 53 -11.070 8.899 -3.489 391 HB2 LEU 53 HB2 LEU 53 -8.842 7.914 -5.114 392 HB3 LEU 53 HB3 LEU 53 -10.296 6.944 -5.262 393 HG LEU 53 HG LEU 53 -10.212 8.641 -7.002 394 HD11 LEU 53 HD11 LEU 53 -12.362 8.013 -5.520 395 HD12 LEU 53 HD12 LEU 53 -12.419 9.090 -6.915 396 HD13 LEU 53 HD13 LEU 53 -12.330 9.760 -5.286 397 HD21 LEU 53 HD21 LEU 53 -8.848 10.271 -5.713 398 HD22 LEU 53 HD22 LEU 53 -10.291 10.682 -4.786 399 HD23 LEU 53 HD23 LEU 53 -10.240 10.992 -6.521 400 H TYR 54 H TYR 54 -8.887 6.084 -3.244 401 HA TYR 54 HA TYR 54 -10.866 4.196 -2.711 402 HB2 TYR 54 HB2 TYR 54 -8.061 4.219 -2.915 403 HB3 TYR 54 HB3 TYR 54 -8.416 3.527 -1.336 404 HD1 TYR 54 HD1 TYR 54 -10.031 3.264 -4.702 405 HD2 TYR 54 HD2 TYR 54 -8.294 1.227 -1.395 406 HE1 TYR 54 HE1 TYR 54 -10.540 1.109 -5.770 407 HE2 TYR 54 HE2 TYR 54 -8.797 -0.934 -2.454 408 HH TYR 54 HH TYR 54 -9.190 -1.596 -5.189 409 H ALA 55 H ALA 55 -9.283 6.471 -0.598 410 HA ALA 55 HA ALA 55 -10.129 5.209 1.839 411 HB1 ALA 55 HB1 ALA 55 -9.266 7.195 2.940 412 HB2 ALA 55 HB2 ALA 55 -9.114 8.012 1.385 413 HB3 ALA 55 HB3 ALA 55 -8.114 6.604 1.742 414 H LYS 56 H LYS 56 -11.463 7.532 -0.373 415 HA LYS 56 HA LYS 56 -13.569 8.272 1.515 416 HB2 LYS 56 HB2 LYS 56 -12.283 9.898 -0.076 417 HB3 LYS 56 HB3 LYS 56 -13.396 9.297 -1.296 418 HG2 LYS 56 HG2 LYS 56 -15.288 10.043 0.022 419 HG3 LYS 56 HG3 LYS 56 -14.203 10.586 1.303 420 HD2 LYS 56 HD2 LYS 56 -13.116 12.021 -0.558 421 HD3 LYS 56 HD3 LYS 56 -14.620 11.730 -1.434 422 HE2 LYS 56 HE2 LYS 56 -14.932 12.586 1.364 423 HE3 LYS 56 HE3 LYS 56 -14.226 13.786 0.283 424 HZ1 LYS 56 HZ1 LYS 56 -16.114 13.756 -1.081 425 HZ2 LYS 56 HZ2 LYS 56 -16.727 13.782 0.495 426 HZ3 LYS 56 HZ3 LYS 56 -16.719 12.338 -0.385 427 H SER 57 H SER 57 -13.546 5.588 0.629 428 HA SER 57 HA SER 57 -16.046 5.534 -0.925 429 HB2 SER 57 HB2 SER 57 -13.520 4.034 -1.351 430 HB3 SER 57 HB3 SER 57 -15.019 3.126 -1.550 431 HG SER 57 HG SER 57 -15.680 4.876 -2.983 432 H GLU 58 H GLU 58 -16.845 3.029 -0.737 433 HA GLU 58 HA GLU 58 -17.543 2.764 2.040 434 HB2 GLU 58 HB2 GLU 58 -18.956 0.898 1.273 435 HB3 GLU 58 HB3 GLU 58 -19.224 2.360 0.333 436 HG2 GLU 58 HG2 GLU 58 -17.310 1.131 -1.144 437 HG3 GLU 58 HG3 GLU 58 -18.185 -0.253 -0.489 438 H PHE 59 H PHE 59 -14.890 1.774 0.325 439 HA PHE 59 HA PHE 59 -14.597 -0.769 1.739 440 HB2 PHE 59 HB2 PHE 59 -12.661 0.427 -0.241 441 HB3 PHE 59 HB3 PHE 59 -12.796 -1.255 0.260 442 HD1 PHE 59 HD2 PHE 59 -14.910 -2.518 -0.376 443 HD2 PHE 59 HD1 PHE 59 -13.810 1.212 -2.106 444 HE1 PHE 59 HE2 PHE 59 -16.401 -2.966 -2.281 445 HE2 PHE 59 HE1 PHE 59 -15.300 0.771 -4.014 446 HZ PHE 59 HZ PHE 59 -16.597 -1.321 -4.104 447 H LYS 60 H LYS 60 -14.560 1.578 3.310 448 HA LYS 60 HA LYS 60 -11.881 2.389 3.865 449 HB2 LYS 60 HB2 LYS 60 -13.780 3.844 4.367 450 HB3 LYS 60 HB3 LYS 60 -14.400 2.666 5.515 451 HG2 LYS 60 HG2 LYS 60 -12.488 2.998 6.951 452 HG3 LYS 60 HG3 LYS 60 -11.760 4.092 5.772 453 HD2 LYS 60 HD2 LYS 60 -13.622 5.646 6.052 454 HD3 LYS 60 HD3 LYS 60 -14.379 4.544 7.203 455 HE2 LYS 60 HE2 LYS 60 -11.734 5.955 7.530 456 HE3 LYS 60 HE3 LYS 60 -13.232 6.316 8.387 457 HZ1 LYS 60 HZ1 LYS 60 -11.652 3.809 8.588 458 HZ2 LYS 60 HZ2 LYS 60 -13.135 4.079 9.356 459 HZ3 LYS 60 HZ3 LYS 60 -11.786 5.010 9.773 460 H ASP 61 H ASP 61 -14.138 0.103 5.352 461 HA ASP 61 HA ASP 61 -12.092 -0.728 7.260 462 HB2 ASP 61 HB2 ASP 61 -14.632 -0.363 7.761 463 HB3 ASP 61 HB3 ASP 61 -14.813 -1.976 7.076 464 H ARG 62 H ARG 62 -12.240 -1.335 4.222 465 HA ARG 62 HA ARG 62 -11.859 -4.244 4.488 466 HB2 ARG 62 HB2 ARG 62 -12.762 -2.755 2.018 467 HB3 ARG 62 HB3 ARG 62 -12.582 -4.496 2.179 468 HG2 ARG 62 HG2 ARG 62 -14.428 -4.652 3.639 469 HG3 ARG 62 HG3 ARG 62 -14.479 -2.904 3.877 470 HD2 ARG 62 1HD ARG 62 -15.539 -2.528 1.903 471 HD3 ARG 62 2HD ARG 62 -14.754 -3.888 1.099 472 HE ARG 62 HE ARG 62 -16.446 -5.021 2.934 473 HH11 ARG 62 HH11 ARG 62 -16.800 -2.824 0.246 474 HH12 ARG 62 HH12 ARG 62 -18.409 -3.343 -0.128 475 HH21 ARG 62 HH21 ARG 62 -18.561 -5.705 2.444 476 HH22 ARG 62 HH22 ARG 62 -19.410 -4.979 1.120 477 H VAL 63 H VAL 63 -10.953 -1.480 2.426 478 HA VAL 63 HA VAL 63 -8.207 -2.540 2.369 479 HB VAL 63 HB VAL 63 -9.265 -2.998 0.209 480 HG11 VAL 63 HG11 VAL 63 -10.811 -0.931 0.481 481 HG12 VAL 63 HG12 VAL 63 -10.292 -1.421 -1.132 482 HG13 VAL 63 HG13 VAL 63 -9.501 -0.067 -0.325 483 HG21 VAL 63 HG21 VAL 63 -7.501 -0.774 -0.560 484 HG22 VAL 63 HG22 VAL 63 -7.403 -2.491 -0.951 485 HG23 VAL 63 HG23 VAL 63 -6.822 -1.908 0.609 486 H VAL 64 H VAL 64 -6.646 -1.099 2.831 487 HA VAL 64 HA VAL 64 -7.359 1.759 2.837 488 HB VAL 64 HB VAL 64 -7.369 0.895 5.140 489 HG11 VAL 64 HG11 VAL 64 -5.726 -0.338 6.071 490 HG12 VAL 64 HG12 VAL 64 -4.447 0.520 5.212 491 HG13 VAL 64 HG13 VAL 64 -5.366 -0.742 4.392 492 HG21 VAL 64 HG21 VAL 64 -6.832 3.061 5.395 493 HG22 VAL 64 HG22 VAL 64 -5.562 2.996 4.173 494 HG23 VAL 64 HG23 VAL 64 -5.236 2.439 5.814 495 H ILE 65 H ILE 65 -5.892 3.136 2.007 496 HA ILE 65 HA ILE 65 -3.547 1.989 0.723 497 HB ILE 65 HB ILE 65 -4.418 4.869 0.585 498 HG12 ILE 65 HG12 ILE 65 -6.319 3.371 -0.002 499 HG13 ILE 65 HG13 ILE 65 -5.756 4.336 -1.363 500 HG21 ILE 65 HG21 ILE 65 -2.443 3.176 -0.770 501 HG22 ILE 65 HG22 ILE 65 -2.469 4.923 -0.524 502 HG23 ILE 65 HG23 ILE 65 -3.398 4.203 -1.839 503 HD11 ILE 65 HD11 ILE 65 -5.748 2.426 -2.496 504 HD12 ILE 65 HD12 ILE 65 -5.852 1.455 -1.027 505 HD13 ILE 65 HD13 ILE 65 -4.284 2.032 -1.594 506 H ALA 66 H ALA 66 -1.654 1.952 1.742 507 HA ALA 66 HA ALA 66 -1.001 4.168 3.571 508 HB1 ALA 66 HB1 ALA 66 -1.547 1.763 4.528 509 HB2 ALA 66 HB2 ALA 66 -0.282 2.776 5.225 510 HB3 ALA 66 HB3 ALA 66 0.142 1.481 4.106 511 H LYS 67 H LYS 67 0.877 5.159 3.218 512 HA LYS 67 HA LYS 67 2.755 3.914 1.323 513 HB2 LYS 67 HB2 LYS 67 3.209 5.971 0.387 514 HB3 LYS 67 HB3 LYS 67 1.516 6.168 0.808 515 HG2 LYS 67 HG2 LYS 67 3.863 7.178 2.404 516 HG3 LYS 67 HG3 LYS 67 2.805 8.147 1.376 517 HD2 LYS 67 HD2 LYS 67 0.893 7.513 2.810 518 HD3 LYS 67 HD3 LYS 67 2.005 6.638 3.864 519 HE2 LYS 67 HE2 LYS 67 3.270 8.903 3.975 520 HE3 LYS 67 HE3 LYS 67 1.743 9.584 3.415 521 HZ1 LYS 67 HZ1 LYS 67 1.775 7.763 5.727 522 HZ2 LYS 67 HZ2 LYS 67 0.669 8.984 5.344 523 HZ3 LYS 67 HZ3 LYS 67 2.202 9.387 5.934 524 H VAL 68 H VAL 68 5.052 4.453 1.639 525 HA VAL 68 HA VAL 68 5.968 5.494 4.125 526 HB VAL 68 HB VAL 68 5.146 3.346 4.962 527 HG11 VAL 68 HG11 VAL 68 6.928 2.218 2.823 528 HG12 VAL 68 HG12 VAL 68 5.210 1.923 3.090 529 HG13 VAL 68 HG13 VAL 68 6.402 1.268 4.213 530 HG21 VAL 68 HG21 VAL 68 7.067 4.282 6.068 531 HG22 VAL 68 HG22 VAL 68 8.151 3.582 4.865 532 HG23 VAL 68 HG23 VAL 68 7.264 2.532 5.970 533 H ASP 69 H ASP 69 8.231 5.692 4.214 534 HA ASP 69 HA ASP 69 9.509 5.680 1.643 535 HB2 ASP 69 HB2 ASP 69 9.793 7.246 3.835 536 HB3 ASP 69 HB3 ASP 69 11.152 6.149 4.061 537 H ALA 70 H ALA 70 11.273 4.442 0.987 538 HA ALA 70 HA ALA 70 11.401 1.807 2.142 539 HB1 ALA 70 HB1 ALA 70 11.481 2.354 -0.335 540 HB2 ALA 70 HB2 ALA 70 12.665 1.187 0.255 541 HB3 ALA 70 HB3 ALA 70 13.151 2.852 -0.066 542 H THR 71 H THR 71 12.218 3.383 4.125 543 HA THR 71 HA THR 71 15.075 2.775 4.315 544 HB THR 71 HB THR 71 15.683 4.891 5.092 545 HG1 THR 71 HG1 THR 71 14.347 6.267 6.057 546 HG21 THR 71 HG21 THR 71 14.633 6.600 3.585 547 HG22 THR 71 HG22 THR 71 13.583 5.314 2.989 548 HG23 THR 71 HG23 THR 71 15.330 5.195 2.778 549 H ALA 72 H ALA 72 12.312 1.859 5.415 550 HA ALA 72 HA ALA 72 12.443 2.325 8.227 551 HB1 ALA 72 HB1 ALA 72 10.320 1.865 7.171 552 HB2 ALA 72 HB2 ALA 72 10.674 0.612 8.360 553 HB3 ALA 72 HB3 ALA 72 10.892 0.283 6.641 554 H ASN 73 H ASN 73 12.192 0.112 9.585 555 HA ASN 73 HA ASN 73 14.519 -1.568 8.927 556 HB2 ASN 73 HB2 ASN 73 13.784 -0.822 11.752 557 HB3 ASN 73 HB3 ASN 73 15.288 -1.523 11.164 558 HD21 ASN 73 HD21 ASN 73 13.296 1.378 11.093 559 HD22 ASN 73 HD22 ASN 73 14.598 2.487 10.850 560 H ASP 74 H ASP 74 14.510 -3.660 10.159 561 HA ASP 74 HA ASP 74 13.522 -5.675 10.538 562 HB2 ASP 74 HB2 ASP 74 12.752 -4.204 12.533 563 HB3 ASP 74 HB3 ASP 74 11.182 -4.220 11.735 564 H VAL 75 H VAL 75 12.987 -4.456 8.003 565 HA VAL 75 HA VAL 75 10.418 -5.754 7.397 566 HB VAL 75 HB VAL 75 11.377 -3.218 6.071 567 HG11 VAL 75 HG11 VAL 75 9.141 -5.091 5.620 568 HG12 VAL 75 HG12 VAL 75 9.999 -4.050 4.484 569 HG13 VAL 75 HG13 VAL 75 8.751 -3.374 5.530 570 HG21 VAL 75 HG21 VAL 75 9.075 -2.544 7.343 571 HG22 VAL 75 HG22 VAL 75 10.693 -2.241 7.977 572 HG23 VAL 75 HG23 VAL 75 9.792 -3.664 8.502 573 HA PRO 76 HA PRO 76 13.604 -7.703 4.743 574 HB2 PRO 76 HB2 PRO 76 12.251 -10.040 4.442 575 HB3 PRO 76 HB3 PRO 76 13.265 -9.690 5.846 576 HG2 PRO 76 HG2 PRO 76 10.291 -9.486 5.559 577 HG3 PRO 76 HG3 PRO 76 11.243 -10.145 6.903 578 HD2 PRO 76 HD2 PRO 76 10.165 -7.669 6.971 579 HD3 PRO 76 HD3 PRO 76 11.704 -8.056 7.766 580 H ASP 77 H ASP 77 12.843 -6.013 3.205 581 HA ASP 77 HA ASP 77 10.912 -7.093 1.260 582 HB2 ASP 77 HB2 ASP 77 10.673 -4.736 2.486 583 HB3 ASP 77 HB3 ASP 77 11.727 -4.229 1.169 584 H GLU 78 H GLU 78 12.012 -8.137 -0.279 585 HA GLU 78 HA GLU 78 14.457 -6.896 -1.348 586 HB2 GLU 78 HB2 GLU 78 13.622 -9.687 -0.894 587 HB3 GLU 78 HB3 GLU 78 14.431 -9.398 -2.428 588 HG2 GLU 78 HG2 GLU 78 16.127 -10.008 -0.941 589 HG3 GLU 78 HG3 GLU 78 16.253 -8.256 -1.088 590 H ILE 79 H ILE 79 14.127 -5.773 -3.149 591 HA ILE 79 HA ILE 79 12.380 -6.912 -5.214 592 HB ILE 79 HB ILE 79 11.389 -4.769 -5.716 593 HG12 ILE 79 HG12 ILE 79 13.359 -3.399 -4.980 594 HG13 ILE 79 HG13 ILE 79 11.806 -2.769 -4.449 595 HG21 ILE 79 HG21 ILE 79 9.807 -4.810 -4.075 596 HG22 ILE 79 HG22 ILE 79 10.990 -4.930 -2.775 597 HG23 ILE 79 HG23 ILE 79 10.612 -6.345 -3.756 598 HD11 ILE 79 HD11 ILE 79 14.095 -3.502 -2.903 599 HD12 ILE 79 HD12 ILE 79 12.702 -4.457 -2.397 600 HD13 ILE 79 HD13 ILE 79 12.612 -2.696 -2.392 601 H GLN 80 H GLN 80 12.758 -6.016 -7.368 602 HA GLN 80 HA GLN 80 15.555 -5.781 -7.911 603 HB2 GLN 80 HB2 GLN 80 13.759 -6.885 -9.375 604 HB3 GLN 80 HB3 GLN 80 13.341 -5.255 -9.885 605 HG2 GLN 80 HG2 GLN 80 14.854 -6.407 -11.447 606 HG3 GLN 80 HG3 GLN 80 15.533 -4.916 -10.797 607 HE21 GLN 80 HE21 GLN 80 17.188 -5.049 -9.236 608 HE22 GLN 80 HE22 GLN 80 18.160 -6.469 -9.081 609 H GLY 81 H GLY 81 12.777 -3.578 -8.121 610 HA2 GLY 81 HA2 GLY 81 14.702 -1.340 -8.303 611 HA3 GLY 81 HA3 GLY 81 13.157 -1.336 -9.140 612 H PHE 82 H PHE 82 14.425 0.408 -6.992 613 HA PHE 82 HA PHE 82 13.423 0.256 -4.542 614 HB2 PHE 82 HB2 PHE 82 14.166 2.410 -6.273 615 HB3 PHE 82 HB3 PHE 82 12.892 2.890 -5.148 616 HD1 PHE 82 HD2 PHE 82 13.205 2.131 -2.709 617 HD2 PHE 82 HD1 PHE 82 16.326 2.463 -5.576 618 HE1 PHE 82 HE2 PHE 82 14.873 2.276 -0.887 619 HE2 PHE 82 HE1 PHE 82 17.983 2.581 -3.792 620 HZ PHE 82 HZ PHE 82 17.272 2.502 -1.426 621 HA PRO 83 HA PRO 83 9.257 1.973 -5.469 622 HB2 PRO 83 HB2 PRO 83 8.572 0.839 -8.100 623 HB3 PRO 83 HB3 PRO 83 8.277 2.462 -7.478 624 HG2 PRO 83 HG2 PRO 83 10.153 1.947 -9.354 625 HG3 PRO 83 HG3 PRO 83 10.332 3.237 -8.153 626 HD2 PRO 83 HD2 PRO 83 11.598 0.539 -8.244 627 HD3 PRO 83 HD3 PRO 83 12.262 2.081 -7.659 628 H THR 84 H THR 84 9.441 0.251 -3.926 629 HA THR 84 HA THR 84 8.674 -2.419 -4.647 630 HB THR 84 HB THR 84 9.674 -0.992 -2.266 631 HG1 THR 84 HG1 THR 84 10.727 -3.080 -2.067 632 HG21 THR 84 HG21 THR 84 7.694 -1.821 -1.198 633 HG22 THR 84 HG22 THR 84 9.057 -2.837 -0.728 634 HG23 THR 84 HG23 THR 84 7.905 -3.409 -1.935 635 H ILE 85 H ILE 85 6.769 -3.452 -4.233 636 HA ILE 85 HA ILE 85 4.571 -1.879 -3.081 637 HB ILE 85 HB ILE 85 4.166 -3.674 -5.463 638 HG12 ILE 85 HG12 ILE 85 3.789 -1.034 -6.301 639 HG13 ILE 85 HG13 ILE 85 5.292 -0.997 -5.386 640 HG21 ILE 85 HG21 ILE 85 2.360 -1.428 -4.814 641 HG22 ILE 85 HG22 ILE 85 2.357 -2.799 -3.704 642 HG23 ILE 85 HG23 ILE 85 1.993 -3.046 -5.412 643 HD11 ILE 85 HD11 ILE 85 6.097 -2.893 -6.792 644 HD12 ILE 85 HD12 ILE 85 5.824 -1.386 -7.666 645 HD13 ILE 85 HD13 ILE 85 4.648 -2.696 -7.778 646 H LYS 86 H LYS 86 4.131 -2.950 -1.254 647 HA LYS 86 HA LYS 86 4.168 -5.885 -1.291 648 HB2 LYS 86 HB2 LYS 86 4.426 -3.848 0.899 649 HB3 LYS 86 HB3 LYS 86 3.978 -5.507 1.270 650 HG2 LYS 86 HG2 LYS 86 6.441 -4.805 -0.299 651 HG3 LYS 86 HG3 LYS 86 6.426 -4.932 1.461 652 HD2 LYS 86 HD2 LYS 86 6.230 -7.192 1.431 653 HD3 LYS 86 HD3 LYS 86 5.249 -7.194 -0.036 654 HE2 LYS 86 HE2 LYS 86 7.279 -6.674 -1.347 655 HE3 LYS 86 HE3 LYS 86 8.232 -6.784 0.132 656 HZ1 LYS 86 HZ1 LYS 86 8.076 -9.026 0.175 657 HZ2 LYS 86 HZ2 LYS 86 7.897 -8.827 -1.495 658 HZ3 LYS 86 HZ3 LYS 86 6.535 -9.064 -0.521 659 H LEU 87 H LEU 87 2.336 -6.981 -1.305 660 HA LEU 87 HA LEU 87 -0.151 -5.575 -0.597 661 HB2 LEU 87 HB2 LEU 87 0.511 -6.896 -2.926 662 HB3 LEU 87 HB3 LEU 87 -0.425 -8.095 -2.054 663 HG LEU 87 HG LEU 87 -1.911 -6.893 -3.489 664 HD11 LEU 87 HD11 LEU 87 -2.280 -5.826 -0.696 665 HD12 LEU 87 HD12 LEU 87 -2.707 -7.458 -1.210 666 HD13 LEU 87 HD13 LEU 87 -3.528 -6.066 -1.919 667 HD21 LEU 87 HD21 LEU 87 -0.413 -4.886 -3.689 668 HD22 LEU 87 HD22 LEU 87 -1.066 -4.334 -2.147 669 HD23 LEU 87 HD23 LEU 87 -2.133 -4.529 -3.537 670 H TYR 88 H TYR 88 -1.337 -6.289 1.061 671 HA TYR 88 HA TYR 88 -0.849 -9.001 2.082 672 HB2 TYR 88 HB2 TYR 88 -0.787 -6.414 3.611 673 HB3 TYR 88 HB3 TYR 88 -1.192 -7.928 4.414 674 HD1 TYR 88 HD1 TYR 88 0.494 -9.812 4.360 675 HD2 TYR 88 HD2 TYR 88 1.454 -5.844 3.163 676 HE1 TYR 88 HE1 TYR 88 2.885 -10.317 4.624 677 HE2 TYR 88 HE2 TYR 88 3.849 -6.338 3.424 678 HH TYR 88 HH TYR 88 4.984 -9.164 4.978 679 HA PRO 89 HA PRO 89 -5.363 -8.461 1.639 680 HB2 PRO 89 HB2 PRO 89 -5.906 -10.977 0.877 681 HB3 PRO 89 HB3 PRO 89 -5.241 -9.788 -0.251 682 HG2 PRO 89 HG2 PRO 89 -3.845 -11.980 1.234 683 HG3 PRO 89 HG3 PRO 89 -3.646 -11.466 -0.451 684 HD2 PRO 89 HD2 PRO 89 -1.960 -10.730 1.582 685 HD3 PRO 89 HD3 PRO 89 -2.213 -9.771 0.111 686 H ALA 90 H ALA 90 -7.025 -9.024 3.010 687 HA ALA 90 HA ALA 90 -6.273 -10.184 5.529 688 HB1 ALA 90 HB1 ALA 90 -7.923 -8.236 5.062 689 HB2 ALA 90 HB2 ALA 90 -8.278 -9.382 6.354 690 HB3 ALA 90 HB3 ALA 90 -9.096 -9.525 4.798 691 H GLY 91 H GLY 91 -6.840 -12.139 6.371 692 HA2 GLY 91 HA2 GLY 91 -8.053 -14.165 6.483 693 HA3 GLY 91 HA3 GLY 91 -8.641 -13.876 4.852 694 H ALA 92 H ALA 92 -6.118 -13.326 3.659 695 HA ALA 92 HA ALA 92 -4.742 -15.915 3.925 696 HB1 ALA 92 HB1 ALA 92 -4.859 -16.371 1.707 697 HB2 ALA 92 HB2 ALA 92 -4.824 -14.670 1.243 698 HB3 ALA 92 HB3 ALA 92 -6.322 -15.393 1.828 699 H LYS 93 H LYS 93 -3.662 -14.070 5.362 700 HA LYS 93 HA LYS 93 -1.638 -12.674 3.759 701 HB2 LYS 93 HB2 LYS 93 -1.206 -11.723 6.246 702 HB3 LYS 93 HB3 LYS 93 -2.340 -11.002 5.115 703 HG2 LYS 93 HG2 LYS 93 -3.399 -11.173 7.243 704 HG3 LYS 93 HG3 LYS 93 -4.148 -12.349 6.163 705 HD2 LYS 93 HD2 LYS 93 -3.831 -13.732 7.926 706 HD3 LYS 93 HD3 LYS 93 -2.217 -13.882 7.230 707 HE2 LYS 93 HE2 LYS 93 -1.884 -11.684 8.759 708 HE3 LYS 93 HE3 LYS 93 -3.105 -12.539 9.700 709 HZ1 LYS 93 HZ1 LYS 93 -1.632 -14.519 9.597 710 HZ2 LYS 93 HZ2 LYS 93 -0.974 -13.222 10.460 711 HZ3 LYS 93 HZ3 LYS 93 -0.437 -13.551 8.890 712 H GLY 94 H GLY 94 0.418 -12.366 5.466 713 HA2 GLY 94 HA2 GLY 94 1.905 -13.605 6.902 714 HA3 GLY 94 HA3 GLY 94 1.176 -15.087 6.301 715 H GLN 95 H GLN 95 1.392 -13.454 3.575 716 HA GLN 95 HA GLN 95 4.219 -14.086 3.097 717 HB2 GLN 95 HB2 GLN 95 3.746 -15.165 1.040 718 HB3 GLN 95 HB3 GLN 95 2.655 -15.865 2.223 719 HG2 GLN 95 HG2 GLN 95 1.962 -13.801 0.144 720 HG3 GLN 95 HG3 GLN 95 1.509 -15.502 0.137 721 HE21 GLN 95 HE21 GLN 95 0.532 -12.427 0.923 722 HE22 GLN 95 HE22 GLN 95 -0.794 -12.819 1.959 723 HA PRO 96 HA PRO 96 3.993 -9.773 1.820 724 HB2 PRO 96 HB2 PRO 96 6.796 -10.300 1.028 725 HB3 PRO 96 HB3 PRO 96 6.145 -9.059 2.102 726 HG2 PRO 96 HG2 PRO 96 7.500 -11.150 3.067 727 HG3 PRO 96 HG3 PRO 96 6.110 -10.472 3.933 728 HD2 PRO 96 HD2 PRO 96 6.277 -12.941 2.252 729 HD3 PRO 96 HD3 PRO 96 5.405 -12.670 3.775 730 H VAL 97 H VAL 97 2.868 -9.525 -0.033 731 HA VAL 97 HA VAL 97 3.588 -10.931 -2.446 732 HB VAL 97 HB VAL 97 1.567 -8.711 -2.122 733 HG11 VAL 97 HG11 VAL 97 2.528 -9.752 -4.425 734 HG12 VAL 97 HG12 VAL 97 0.899 -9.102 -4.235 735 HG13 VAL 97 HG13 VAL 97 1.176 -10.840 -4.112 736 HG21 VAL 97 HG21 VAL 97 0.623 -11.489 -2.271 737 HG22 VAL 97 HG22 VAL 97 0.049 -10.145 -1.284 738 HG23 VAL 97 HG23 VAL 97 1.466 -11.067 -0.781 739 H THR 98 H THR 98 5.392 -10.281 -3.456 740 HA THR 98 HA THR 98 6.018 -7.432 -3.616 741 HB THR 98 HB THR 98 7.814 -9.410 -4.889 742 HG1 THR 98 HG1 THR 98 7.723 -10.663 -3.205 743 HG21 THR 98 HG21 THR 98 9.184 -7.691 -4.681 744 HG22 THR 98 HG22 THR 98 9.148 -7.931 -2.934 745 HG23 THR 98 HG23 THR 98 8.015 -6.814 -3.695 746 H TYR 99 H TYR 99 5.552 -6.262 -5.346 747 HA TYR 99 HA TYR 99 4.292 -7.385 -7.632 748 HB2 TYR 99 HB2 TYR 99 5.165 -4.658 -6.797 749 HB3 TYR 99 HB3 TYR 99 4.814 -4.929 -8.500 750 HD1 TYR 99 HD1 TYR 99 3.107 -6.441 -5.565 751 HD2 TYR 99 HD2 TYR 99 2.844 -3.703 -8.810 752 HE1 TYR 99 HE1 TYR 99 0.709 -6.145 -5.111 753 HE2 TYR 99 HE2 TYR 99 0.445 -3.398 -8.366 754 HH TYR 99 HH TYR 99 -1.289 -5.413 -6.158 755 H SER 100 H SER 100 5.185 -6.307 -9.857 756 HA SER 100 HA SER 100 7.994 -7.162 -10.097 757 HB2 SER 100 HB2 SER 100 5.713 -7.630 -12.029 758 HB3 SER 100 HB3 SER 100 7.407 -7.943 -12.406 759 HG SER 100 HG SER 100 7.399 -9.383 -10.567 760 H GLY 101 H GLY 101 6.452 -4.473 -9.880 761 HA2 GLY 101 HA2 GLY 101 7.992 -2.626 -10.822 762 HA3 GLY 101 HA3 GLY 101 7.424 -3.240 -12.367 763 H SER 102 H SER 102 7.018 -0.794 -10.303 764 HA SER 102 HA SER 102 4.109 -0.620 -10.546 765 HB2 SER 102 HB2 SER 102 6.039 0.334 -8.644 766 HB3 SER 102 HB3 SER 102 5.139 1.704 -9.294 767 HG SER 102 HG SER 102 3.850 -0.641 -8.384 768 H ARG 103 H ARG 103 3.228 1.591 -11.123 769 HA ARG 103 HA ARG 103 4.792 3.300 -12.788 770 HB2 ARG 103 HB2 ARG 103 3.249 1.103 -14.013 771 HB3 ARG 103 HB3 ARG 103 2.995 2.686 -14.735 772 HG2 ARG 103 HG2 ARG 103 5.557 2.831 -14.826 773 HG3 ARG 103 HG3 ARG 103 5.520 1.089 -14.550 774 HD2 ARG 103 1HD ARG 103 3.675 1.974 -16.632 775 HD3 ARG 103 2HD ARG 103 5.361 2.339 -16.993 776 HE ARG 103 HE ARG 103 5.781 0.090 -17.216 777 HH11 ARG 103 HH11 ARG 103 2.617 0.541 -15.809 778 HH12 ARG 103 HH12 ARG 103 2.168 -1.122 -15.980 779 HH21 ARG 103 HH21 ARG 103 5.188 -2.096 -17.441 780 HH22 ARG 103 HH22 ARG 103 3.626 -2.619 -16.906 781 H THR 104 H THR 104 1.387 2.224 -12.765 782 HA THR 104 HA THR 104 0.632 4.939 -11.914 783 HB THR 104 HB THR 104 -0.946 3.274 -13.877 784 HG1 THR 104 HG1 THR 104 1.099 3.948 -14.732 785 HG21 THR 104 HG21 THR 104 -2.517 4.776 -13.399 786 HG22 THR 104 HG22 THR 104 -1.532 5.894 -14.343 787 HG23 THR 104 HG23 THR 104 -1.378 5.850 -12.586 788 H VAL 105 H VAL 105 -1.355 5.096 -10.740 789 HA VAL 105 HA VAL 105 -1.711 3.041 -8.838 790 HB VAL 105 HB VAL 105 -3.660 4.357 -8.059 791 HG11 VAL 105 HG11 VAL 105 -0.927 5.309 -8.321 792 HG12 VAL 105 HG12 VAL 105 -2.000 5.318 -6.921 793 HG13 VAL 105 HG13 VAL 105 -2.083 6.623 -8.104 794 HG21 VAL 105 HG21 VAL 105 -3.017 6.209 -10.351 795 HG22 VAL 105 HG22 VAL 105 -4.279 6.418 -9.138 796 HG23 VAL 105 HG23 VAL 105 -4.392 5.105 -10.310 797 H GLU 106 H GLU 106 -3.278 3.754 -11.868 798 HA GLU 106 HA GLU 106 -5.676 2.366 -11.543 799 HB2 GLU 106 HB2 GLU 106 -5.774 2.259 -13.968 800 HB3 GLU 106 HB3 GLU 106 -5.183 3.835 -13.460 801 HG2 GLU 106 HG2 GLU 106 -2.839 2.675 -13.785 802 HG3 GLU 106 HG3 GLU 106 -3.769 1.638 -14.865 803 H ASP 107 H ASP 107 -2.465 1.219 -12.443 804 HA ASP 107 HA ASP 107 -3.300 -1.446 -13.034 805 HB2 ASP 107 HB2 ASP 107 -1.080 -0.081 -13.635 806 HB3 ASP 107 HB3 ASP 107 -0.497 -0.909 -12.194 807 H LEU 108 H LEU 108 -2.006 0.188 -10.192 808 HA LEU 108 HA LEU 108 -1.534 -2.065 -8.598 809 HB2 LEU 108 HB2 LEU 108 -0.694 0.136 -8.011 810 HB3 LEU 108 HB3 LEU 108 -2.328 0.735 -7.805 811 HG LEU 108 HG LEU 108 -2.620 -0.867 -5.913 812 HD11 LEU 108 HD11 LEU 108 -0.835 -2.088 -5.024 813 HD12 LEU 108 HD12 LEU 108 0.358 -1.219 -5.990 814 HD13 LEU 108 HD13 LEU 108 -0.737 -2.366 -6.763 815 HD21 LEU 108 HD21 LEU 108 -0.689 1.384 -5.941 816 HD22 LEU 108 HD22 LEU 108 -0.767 0.389 -4.486 817 HD23 LEU 108 HD23 LEU 108 -2.215 1.208 -5.074 818 H ILE 109 H ILE 109 -4.349 0.127 -8.522 819 HA ILE 109 HA ILE 109 -5.922 -1.262 -6.734 820 HB ILE 109 HB ILE 109 -6.521 0.952 -7.561 821 HG12 ILE 109 HG12 ILE 109 -8.594 -1.198 -8.039 822 HG13 ILE 109 HG13 ILE 109 -8.311 -0.301 -6.551 823 HG21 ILE 109 HG21 ILE 109 -7.390 1.339 -9.756 824 HG22 ILE 109 HG22 ILE 109 -7.336 -0.382 -10.136 825 HG23 ILE 109 HG23 ILE 109 -5.837 0.520 -9.917 826 HD11 ILE 109 HD11 ILE 109 -9.053 1.751 -7.674 827 HD12 ILE 109 HD12 ILE 109 -10.297 0.501 -7.654 828 HD13 ILE 109 HD13 ILE 109 -9.385 0.813 -9.130 829 H LYS 110 H LYS 110 -5.729 -1.694 -10.255 830 HA LYS 110 HA LYS 110 -7.735 -3.606 -10.537 831 HB2 LYS 110 HB2 LYS 110 -6.094 -2.346 -12.259 832 HB3 LYS 110 HB3 LYS 110 -5.316 -3.923 -12.223 833 HG2 LYS 110 HG2 LYS 110 -7.853 -4.700 -12.566 834 HG3 LYS 110 HG3 LYS 110 -7.924 -3.116 -13.342 835 HD2 LYS 110 HD2 LYS 110 -5.616 -4.092 -14.375 836 HD3 LYS 110 HD3 LYS 110 -6.547 -5.578 -14.179 837 HE2 LYS 110 HE2 LYS 110 -8.450 -4.202 -15.311 838 HE3 LYS 110 HE3 LYS 110 -7.124 -3.184 -15.873 839 HZ1 LYS 110 HZ1 LYS 110 -6.282 -4.845 -17.179 840 HZ2 LYS 110 HZ2 LYS 110 -7.933 -5.196 -17.286 841 HZ3 LYS 110 HZ3 LYS 110 -6.945 -6.091 -16.246 842 H PHE 111 H PHE 111 -4.446 -3.914 -9.409 843 HA PHE 111 HA PHE 111 -4.420 -6.789 -9.549 844 HB2 PHE 111 HB2 PHE 111 -2.495 -4.749 -9.199 845 HB3 PHE 111 HB3 PHE 111 -2.430 -5.750 -7.753 846 HD1 PHE 111 HD1 PHE 111 -2.673 -6.192 -11.453 847 HD2 PHE 111 HD2 PHE 111 -0.973 -7.513 -7.782 848 HE1 PHE 111 HE1 PHE 111 -1.341 -7.861 -12.675 849 HE2 PHE 111 HE2 PHE 111 0.363 -9.184 -8.997 850 HZ PHE 111 HZ PHE 111 0.180 -9.359 -11.447 851 H ILE 112 H ILE 112 -5.180 -4.353 -7.163 852 HA ILE 112 HA ILE 112 -5.108 -6.033 -4.882 853 HB ILE 112 HB ILE 112 -6.769 -3.541 -5.270 854 HG12 ILE 112 HG12 ILE 112 -4.064 -3.653 -3.961 855 HG13 ILE 112 HG13 ILE 112 -4.217 -3.415 -5.698 856 HG21 ILE 112 HG21 ILE 112 -5.961 -5.152 -2.881 857 HG22 ILE 112 HG22 ILE 112 -7.552 -4.531 -3.324 858 HG23 ILE 112 HG23 ILE 112 -6.309 -3.430 -2.729 859 HD11 ILE 112 HD11 ILE 112 -4.491 -1.254 -5.346 860 HD12 ILE 112 HD12 ILE 112 -4.435 -1.509 -3.602 861 HD13 ILE 112 HD13 ILE 112 -5.975 -1.597 -4.457 862 H ALA 113 H ALA 113 -7.497 -5.443 -7.349 863 HA ALA 113 HA ALA 113 -9.631 -6.706 -5.857 864 HB1 ALA 113 HB1 ALA 113 -11.047 -5.932 -7.454 865 HB2 ALA 113 HB2 ALA 113 -9.906 -6.226 -8.767 866 HB3 ALA 113 HB3 ALA 113 -9.710 -4.815 -7.727 867 H GLU 114 H GLU 114 -7.440 -7.514 -8.494 868 HA GLU 114 HA GLU 114 -8.682 -10.012 -9.105 869 HB2 GLU 114 HB2 GLU 114 -6.228 -8.570 -9.937 870 HB3 GLU 114 HB3 GLU 114 -6.210 -10.319 -10.120 871 HG2 GLU 114 HG2 GLU 114 -8.671 -9.513 -11.143 872 HG3 GLU 114 HG3 GLU 114 -7.515 -8.313 -11.720 873 H ASN 115 H ASN 115 -6.231 -8.959 -6.865 874 HA ASN 115 HA ASN 115 -5.848 -11.758 -6.021 875 HB2 ASN 115 HB2 ASN 115 -3.898 -9.500 -5.552 876 HB3 ASN 115 HB3 ASN 115 -3.627 -11.223 -5.309 877 HD21 ASN 115 HD21 ASN 115 -4.498 -8.898 -7.835 878 HD22 ASN 115 HD22 ASN 115 -3.614 -9.677 -9.098 879 H GLY 116 H GLY 116 -7.876 -9.693 -5.199 880 HA2 GLY 116 HA2 GLY 116 -7.174 -9.527 -2.335 881 HA3 GLY 116 HA3 GLY 116 -8.263 -8.417 -3.153 882 H LYS 117 H LYS 117 -8.633 -10.163 -0.774 883 HA LYS 117 HA LYS 117 -10.508 -12.190 -1.599 884 HB2 LYS 117 HB2 LYS 117 -8.948 -11.871 0.613 885 HB3 LYS 117 HB3 LYS 117 -10.511 -11.346 1.226 886 HG2 LYS 117 HG2 LYS 117 -10.815 -13.520 1.654 887 HG3 LYS 117 HG3 LYS 117 -11.205 -13.626 -0.063 888 HD2 LYS 117 HD2 LYS 117 -8.532 -13.858 -0.191 889 HD3 LYS 117 HD3 LYS 117 -8.813 -14.553 1.407 890 HE2 LYS 117 HE2 LYS 117 -10.759 -15.774 -0.018 891 HE3 LYS 117 HE3 LYS 117 -9.526 -15.575 -1.263 892 HZ1 LYS 117 HZ1 LYS 117 -9.365 -17.089 1.265 893 HZ2 LYS 117 HZ2 LYS 117 -7.960 -16.569 0.480 894 HZ3 LYS 117 HZ3 LYS 117 -9.031 -17.613 -0.310 895 H TYR 118 H TYR 118 -10.626 -8.893 -0.454 896 HA TYR 118 HA TYR 118 -13.405 -8.861 0.168 897 HB2 TYR 118 HB2 TYR 118 -11.254 -6.823 -0.135 898 HB3 TYR 118 HB3 TYR 118 -12.922 -6.269 -0.240 899 HD1 TYR 118 HD2 TYR 118 -14.369 -7.743 1.719 900 HD2 TYR 118 HD1 TYR 118 -10.372 -6.300 1.928 901 HE1 TYR 118 HE2 TYR 118 -14.515 -7.710 4.173 902 HE2 TYR 118 HE1 TYR 118 -10.506 -6.265 4.383 903 HH TYR 118 HH TYR 118 -13.345 -6.428 6.071 904 H LYS 119 H LYS 119 -11.553 -8.446 -2.747 905 HA LYS 119 HA LYS 119 -13.861 -7.422 -4.208 906 HB2 LYS 119 HB2 LYS 119 -10.977 -7.866 -4.967 907 HB3 LYS 119 HB3 LYS 119 -12.205 -7.409 -6.140 908 HG2 LYS 119 HG2 LYS 119 -11.158 -5.408 -5.528 909 HG3 LYS 119 HG3 LYS 119 -12.684 -5.417 -4.642 910 HD2 LYS 119 HD2 LYS 119 -11.652 -5.828 -2.611 911 HD3 LYS 119 HD3 LYS 119 -10.214 -6.518 -3.366 912 HE2 LYS 119 HE2 LYS 119 -9.734 -4.329 -2.407 913 HE3 LYS 119 HE3 LYS 119 -9.562 -4.303 -4.161 914 HZ1 LYS 119 HZ1 LYS 119 -11.475 -2.929 -2.466 915 HZ2 LYS 119 HZ2 LYS 119 -12.105 -3.567 -3.900 916 HZ3 LYS 119 HZ3 LYS 119 -10.821 -2.468 -3.957 917 H ALA 120 H ALA 120 -12.171 -10.378 -3.641 918 HA ALA 120 HA ALA 120 -13.605 -11.678 -5.855 919 HB1 ALA 120 HB1 ALA 120 -11.034 -11.849 -5.532 920 HB2 ALA 120 HB2 ALA 120 -11.955 -13.293 -5.952 921 HB3 ALA 120 HB3 ALA 120 -11.448 -13.025 -4.284 922 H ALA 121 H ALA 121 -14.513 -13.822 -5.438 923 HA ALA 121 HA ALA 121 -15.886 -13.860 -2.872 924 HB1 ALA 121 HB1 ALA 121 -16.315 -15.226 -5.498 925 HB2 ALA 121 HB2 ALA 121 -17.409 -14.188 -4.584 926 HB3 ALA 121 HB3 ALA 121 -17.095 -15.835 -4.038
Contact the webmaster for help, if required. Sunday, May 19, 2024 7:54:51 AM GMT (wattos1)