NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457048 | 2kq2 | 16578 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -14.445 21.030 -2.084 2 H2 MET 1 H2 MET 1 -15.120 20.276 -0.730 3 H3 MET 1 H3 MET 1 -15.557 19.773 -2.288 4 HA MET 1 HA MET 1 -13.358 18.981 -2.716 5 HB2 MET 1 HB2 MET 1 -12.848 20.038 0.062 6 HB3 MET 1 HB3 MET 1 -11.794 18.861 -0.710 7 HG2 MET 1 HG2 MET 1 -10.903 21.095 -0.932 8 HG3 MET 1 HG3 MET 1 -11.340 20.441 -2.507 9 HE1 MET 1 HE1 MET 1 -10.737 23.534 -1.815 10 HE2 MET 1 HE2 MET 1 -11.983 24.326 -2.780 11 HE3 MET 1 HE3 MET 1 -11.093 22.958 -3.445 12 H ASP 2 H ASP 2 -14.195 17.038 -2.956 13 HA ASP 2 HA ASP 2 -14.845 15.486 -0.541 14 HB2 ASP 2 HB2 ASP 2 -16.346 15.488 -3.173 15 HB3 ASP 2 HB3 ASP 2 -16.626 14.343 -1.867 16 H ASP 3 H ASP 3 -14.587 13.146 -0.845 17 HA ASP 3 HA ASP 3 -12.176 12.677 -2.381 18 HB2 ASP 3 HB2 ASP 3 -12.049 10.541 -1.202 19 HB3 ASP 3 HB3 ASP 3 -12.307 11.863 -0.071 20 H ARG 4 H ARG 4 -14.908 12.967 -3.636 21 HA ARG 4 HA ARG 4 -15.393 10.483 -4.954 22 HB2 ARG 4 HB2 ARG 4 -16.269 13.309 -5.419 23 HB3 ARG 4 HB3 ARG 4 -16.558 12.087 -6.645 24 HG2 ARG 4 HG2 ARG 4 -17.832 10.771 -5.003 25 HG3 ARG 4 HG3 ARG 4 -17.585 12.056 -3.816 26 HD2 ARG 4 HD2 ARG 4 -18.853 13.598 -5.070 27 HD3 ARG 4 HD3 ARG 4 -18.829 12.573 -6.503 28 HE ARG 4 HE ARG 4 -20.152 11.427 -4.191 29 HH11 ARG 4 HH11 ARG 4 -20.499 13.405 -7.062 30 HH12 ARG 4 HH12 ARG 4 -22.181 13.027 -7.287 31 HH21 ARG 4 HH21 ARG 4 -22.389 10.944 -4.455 32 HH22 ARG 4 HH22 ARG 4 -23.260 11.634 -5.795 33 H THR 5 H THR 5 -13.186 13.031 -5.299 34 HA THR 5 HA THR 5 -12.608 12.386 -8.082 35 HB THR 5 HB THR 5 -11.060 14.358 -7.944 36 HG1 THR 5 HG1 THR 5 -10.887 14.188 -5.565 37 HG21 THR 5 HG21 THR 5 -13.346 14.597 -8.791 38 HG22 THR 5 HG22 THR 5 -12.841 16.036 -7.907 39 HG23 THR 5 HG23 THR 5 -13.928 14.872 -7.149 40 H GLU 6 H GLU 6 -11.594 10.442 -7.956 41 HA GLU 6 HA GLU 6 -9.901 8.963 -7.820 42 HB2 GLU 6 HB2 GLU 6 -8.374 11.548 -7.719 43 HB3 GLU 6 HB3 GLU 6 -7.555 9.995 -7.671 44 HG2 GLU 6 HG2 GLU 6 -7.553 10.830 -9.914 45 HG3 GLU 6 HG3 GLU 6 -8.590 9.411 -9.824 46 H TYR 7 H TYR 7 -7.983 8.206 -6.513 47 HA TYR 7 HA TYR 7 -7.988 9.158 -3.746 48 HB2 TYR 7 HB2 TYR 7 -8.274 6.286 -4.644 49 HB3 TYR 7 HB3 TYR 7 -7.678 6.714 -3.046 50 HD1 TYR 7 HD1 TYR 7 -9.167 7.822 -1.424 51 HD2 TYR 7 HD2 TYR 7 -10.614 6.445 -5.183 52 HE1 TYR 7 HE1 TYR 7 -11.472 7.971 -0.583 53 HE2 TYR 7 HE2 TYR 7 -12.925 6.591 -4.352 54 HH TYR 7 HH TYR 7 -13.714 8.163 -1.378 55 H ASP 8 H ASP 8 -5.948 9.058 -2.776 56 HA ASP 8 HA ASP 8 -3.777 8.396 -4.654 57 HB2 ASP 8 HB2 ASP 8 -3.847 10.507 -2.486 58 HB3 ASP 8 HB3 ASP 8 -2.417 10.089 -3.424 59 H VAL 9 H VAL 9 -2.137 7.133 -3.974 60 HA VAL 9 HA VAL 9 -2.152 6.264 -1.161 61 HB VAL 9 HB VAL 9 -1.654 4.481 -3.562 62 HG11 VAL 9 HG11 VAL 9 -0.337 3.804 -1.649 63 HG12 VAL 9 HG12 VAL 9 -1.646 2.653 -1.919 64 HG13 VAL 9 HG13 VAL 9 -1.767 3.838 -0.619 65 HG21 VAL 9 HG21 VAL 9 -3.745 3.344 -2.895 66 HG22 VAL 9 HG22 VAL 9 -4.009 5.006 -3.416 67 HG23 VAL 9 HG23 VAL 9 -4.026 4.608 -1.697 68 H TYR 10 H TYR 10 -0.320 7.072 -0.341 69 HA TYR 10 HA TYR 10 2.054 7.334 -1.991 70 HB2 TYR 10 HB2 TYR 10 1.440 8.116 0.859 71 HB3 TYR 10 HB3 TYR 10 3.062 8.226 0.183 72 HD1 TYR 10 HD2 TYR 10 3.089 9.465 -2.212 73 HD2 TYR 10 HD1 TYR 10 0.191 10.057 0.842 74 HE1 TYR 10 HE2 TYR 10 2.573 11.680 -3.144 75 HE2 TYR 10 HE1 TYR 10 -0.331 12.275 -0.079 76 HH TYR 10 HH TYR 10 0.653 13.287 -3.140 77 H THR 11 H THR 11 3.669 5.915 -2.065 78 HA THR 11 HA THR 11 4.052 3.999 0.074 79 HB THR 11 HB THR 11 2.259 3.013 -1.331 80 HG1 THR 11 HG1 THR 11 3.975 1.744 -0.237 81 HG21 THR 11 HG21 THR 11 2.869 3.927 -3.498 82 HG22 THR 11 HG22 THR 11 2.822 2.165 -3.575 83 HG23 THR 11 HG23 THR 11 4.372 3.002 -3.488 84 H ASP 12 H ASP 12 5.484 6.136 -1.757 85 HA ASP 12 HA ASP 12 7.594 4.476 -2.862 86 HB2 ASP 12 HB2 ASP 12 6.888 6.403 -4.186 87 HB3 ASP 12 HB3 ASP 12 7.322 7.490 -2.868 88 H GLY 13 H GLY 13 8.158 3.618 -0.778 89 HA2 GLY 13 HA2 GLY 13 9.875 5.381 0.809 90 HA3 GLY 13 HA3 GLY 13 9.430 3.725 1.216 91 H SER 14 H SER 14 11.820 5.694 -0.045 92 HA SER 14 HA SER 14 12.955 4.123 -2.056 93 HB2 SER 14 HB2 SER 14 15.115 5.377 -1.346 94 HB3 SER 14 HB3 SER 14 13.754 6.314 -1.954 95 HG SER 14 HG SER 14 13.171 6.737 0.231 96 H TYR 15 H TYR 15 13.870 2.222 -2.027 97 HA TYR 15 HA TYR 15 14.312 0.779 0.373 98 HB2 TYR 15 HB2 TYR 15 15.208 -0.990 -1.141 99 HB3 TYR 15 HB3 TYR 15 13.611 -0.413 -1.595 100 HD1 TYR 15 HD2 TYR 15 13.323 0.998 -3.597 101 HD2 TYR 15 HD1 TYR 15 17.099 -0.689 -2.596 102 HE1 TYR 15 HE2 TYR 15 14.112 1.432 -5.884 103 HE2 TYR 15 HE1 TYR 15 17.897 -0.261 -4.882 104 HH TYR 15 HH TYR 15 16.199 1.723 -7.086 105 H VAL 16 H VAL 16 16.263 -0.012 1.218 106 HA VAL 16 HA VAL 16 18.648 1.492 0.390 107 HB VAL 16 HB VAL 16 17.675 2.562 2.386 108 HG11 VAL 16 HG11 VAL 16 16.579 0.660 3.401 109 HG12 VAL 16 HG12 VAL 16 17.692 1.405 4.549 110 HG13 VAL 16 HG13 VAL 16 18.139 -0.093 3.731 111 HG21 VAL 16 HG21 VAL 16 19.702 2.559 3.777 112 HG22 VAL 16 HG22 VAL 16 20.069 2.683 2.058 113 HG23 VAL 16 HG23 VAL 16 20.288 1.146 2.896 114 H ASN 17 H ASN 17 20.434 0.328 0.177 115 HA ASN 17 HA ASN 17 21.814 -1.462 -0.026 116 HB2 ASN 17 HB2 ASN 17 20.488 -2.327 2.551 117 HB3 ASN 17 HB3 ASN 17 21.900 -3.107 1.847 118 HD21 ASN 17 HD21 ASN 17 20.730 -0.466 3.675 119 HD22 ASN 17 HD22 ASN 17 22.262 0.272 4.007 120 H GLY 18 H GLY 18 19.172 -1.513 -1.273 121 HA2 GLY 18 HA2 GLY 18 18.138 -3.023 -2.697 122 HA3 GLY 18 HA3 GLY 18 19.145 -4.297 -2.032 123 H GLN 19 H GLN 19 18.032 -3.109 0.676 124 HA GLN 19 HA GLN 19 16.041 -5.137 0.981 125 HB2 GLN 19 HB2 GLN 19 17.399 -3.184 2.740 126 HB3 GLN 19 HB3 GLN 19 15.790 -3.677 3.244 127 HG2 GLN 19 HG2 GLN 19 17.645 -5.006 4.230 128 HG3 GLN 19 HG3 GLN 19 16.437 -5.957 3.368 129 HE21 GLN 19 HE21 GLN 19 19.708 -4.801 3.383 130 HE22 GLN 19 HE22 GLN 19 20.296 -5.826 2.116 131 H TYR 20 H TYR 20 13.937 -4.996 0.709 132 HA TYR 20 HA TYR 20 12.773 -2.372 0.149 133 HB2 TYR 20 HB2 TYR 20 11.784 -5.178 -0.388 134 HB3 TYR 20 HB3 TYR 20 10.801 -3.745 -0.650 135 HD1 TYR 20 HD2 TYR 20 11.793 -1.953 -2.254 136 HD2 TYR 20 HD1 TYR 20 13.115 -5.995 -2.107 137 HE1 TYR 20 HE2 TYR 20 12.704 -1.734 -4.525 138 HE2 TYR 20 HE1 TYR 20 14.026 -5.784 -4.382 139 HH TYR 20 HH TYR 20 14.462 -2.845 -5.932 140 H ALA 21 H ALA 21 11.366 -1.447 1.456 141 HA ALA 21 HA ALA 21 10.024 -3.081 3.501 142 HB1 ALA 21 HB1 ALA 21 10.942 -0.215 3.776 143 HB2 ALA 21 HB2 ALA 21 11.681 -1.611 4.558 144 HB3 ALA 21 HB3 ALA 21 10.037 -1.131 4.982 145 H TRP 22 H TRP 22 7.822 -2.457 3.912 146 HA TRP 22 HA TRP 22 6.704 -1.041 1.618 147 HB2 TRP 22 HB2 TRP 22 4.507 -1.966 2.377 148 HB3 TRP 22 HB3 TRP 22 5.686 -3.183 1.915 149 HD1 TRP 22 HD1 TRP 22 6.604 -4.792 3.827 150 HE1 TRP 22 HE1 TRP 22 5.710 -5.374 6.166 151 HE3 TRP 22 HE3 TRP 22 3.299 -0.932 4.417 152 HZ2 TRP 22 HZ2 TRP 22 3.862 -4.325 8.023 153 HZ3 TRP 22 HZ3 TRP 22 2.007 -0.796 6.507 154 HH2 TRP 22 HH2 TRP 22 2.284 -2.461 8.273 155 H ALA 23 H ALA 23 5.853 0.874 1.761 156 HA ALA 23 HA ALA 23 5.163 1.959 4.403 157 HB1 ALA 23 HB1 ALA 23 6.525 3.425 2.135 158 HB2 ALA 23 HB2 ALA 23 7.279 2.946 3.655 159 HB3 ALA 23 HB3 ALA 23 5.990 4.149 3.651 160 H TYR 24 H TYR 24 3.193 2.954 4.482 161 HA TYR 24 HA TYR 24 1.877 3.593 1.955 162 HB2 TYR 24 HB2 TYR 24 0.804 1.667 4.014 163 HB3 TYR 24 HB3 TYR 24 -0.239 2.477 2.850 164 HD1 TYR 24 HD2 TYR 24 0.005 1.998 0.435 165 HD2 TYR 24 HD1 TYR 24 2.186 -0.179 3.366 166 HE1 TYR 24 HE2 TYR 24 0.490 0.260 -1.231 167 HE2 TYR 24 HE1 TYR 24 2.685 -1.925 1.705 168 HH TYR 24 HH TYR 24 2.084 -1.483 -1.651 169 H ALA 25 H ALA 25 0.627 5.307 2.019 170 HA ALA 25 HA ALA 25 -0.218 6.374 4.620 171 HB1 ALA 25 HB1 ALA 25 0.923 7.970 2.324 172 HB2 ALA 25 HB2 ALA 25 1.699 7.681 3.881 173 HB3 ALA 25 HB3 ALA 25 0.228 8.649 3.794 174 H PHE 26 H PHE 26 -2.352 6.262 4.629 175 HA PHE 26 HA PHE 26 -3.840 6.320 2.146 176 HB2 PHE 26 HB2 PHE 26 -4.698 5.924 5.020 177 HB3 PHE 26 HB3 PHE 26 -5.828 5.973 3.671 178 HD1 PHE 26 HD1 PHE 26 -3.141 4.061 5.274 179 HD2 PHE 26 HD2 PHE 26 -6.015 4.135 2.136 180 HE1 PHE 26 HE1 PHE 26 -2.787 1.656 4.896 181 HE2 PHE 26 HE2 PHE 26 -5.665 1.734 1.751 182 HZ PHE 26 HZ PHE 26 -4.048 0.490 3.132 183 H VAL 27 H VAL 27 -4.043 8.242 1.276 184 HA VAL 27 HA VAL 27 -4.696 10.523 3.006 185 HB VAL 27 HB VAL 27 -2.593 10.933 1.993 186 HG11 VAL 27 HG11 VAL 27 -3.832 10.194 -0.652 187 HG12 VAL 27 HG12 VAL 27 -2.649 9.248 0.248 188 HG13 VAL 27 HG13 VAL 27 -2.199 10.815 -0.421 189 HG21 VAL 27 HG21 VAL 27 -4.686 12.379 0.382 190 HG22 VAL 27 HG22 VAL 27 -3.004 12.874 0.564 191 HG23 VAL 27 HG23 VAL 27 -4.074 12.855 1.964 192 H LYS 28 H LYS 28 -6.508 11.579 2.726 193 HA LYS 28 HA LYS 28 -8.076 11.187 0.265 194 HB2 LYS 28 HB2 LYS 28 -9.005 10.972 3.132 195 HB3 LYS 28 HB3 LYS 28 -10.121 11.305 1.817 196 HG2 LYS 28 HG2 LYS 28 -9.871 9.193 0.899 197 HG3 LYS 28 HG3 LYS 28 -8.323 8.921 1.703 198 HD2 LYS 28 HD2 LYS 28 -10.189 7.601 2.676 199 HD3 LYS 28 HD3 LYS 28 -9.402 8.676 3.831 200 HE2 LYS 28 HE2 LYS 28 -11.747 8.843 4.196 201 HE3 LYS 28 HE3 LYS 28 -11.233 10.331 3.406 202 HZ1 LYS 28 HZ1 LYS 28 -12.074 9.478 1.317 203 HZ2 LYS 28 HZ2 LYS 28 -13.296 9.477 2.486 204 HZ3 LYS 28 HZ3 LYS 28 -12.540 8.027 2.054 205 H ASP 29 H ASP 29 -8.926 13.055 -0.540 206 HA ASP 29 HA ASP 29 -9.457 15.269 -0.748 207 HB2 ASP 29 HB2 ASP 29 -10.757 14.974 1.316 208 HB3 ASP 29 HB3 ASP 29 -9.318 15.266 2.283 209 H GLY 30 H GLY 30 -6.612 14.108 -0.122 210 HA2 GLY 30 HA2 GLY 30 -4.519 15.103 -0.505 211 HA3 GLY 30 HA3 GLY 30 -5.247 16.683 -0.233 212 H LYS 31 H LYS 31 -6.389 14.847 2.176 213 HA LYS 31 HA LYS 31 -4.257 15.660 4.026 214 HB2 LYS 31 HB2 LYS 31 -7.007 14.708 4.789 215 HB3 LYS 31 HB3 LYS 31 -5.877 15.640 5.755 216 HG2 LYS 31 HG2 LYS 31 -7.355 16.636 3.329 217 HG3 LYS 31 HG3 LYS 31 -7.749 16.998 5.011 218 HD2 LYS 31 HD2 LYS 31 -5.499 18.026 5.254 219 HD3 LYS 31 HD3 LYS 31 -5.241 17.768 3.527 220 HE2 LYS 31 HE2 LYS 31 -7.437 19.426 4.754 221 HE3 LYS 31 HE3 LYS 31 -5.971 20.051 4.003 222 HZ1 LYS 31 HZ1 LYS 31 -7.836 20.155 2.493 223 HZ2 LYS 31 HZ2 LYS 31 -8.099 18.487 2.626 224 HZ3 LYS 31 HZ3 LYS 31 -6.678 19.071 1.905 225 H VAL 32 H VAL 32 -3.031 14.127 4.930 226 HA VAL 32 HA VAL 32 -3.567 11.347 4.347 227 HB VAL 32 HB VAL 32 -1.323 12.580 5.963 228 HG11 VAL 32 HG11 VAL 32 -0.192 10.417 5.644 229 HG12 VAL 32 HG12 VAL 32 -1.653 9.780 4.888 230 HG13 VAL 32 HG13 VAL 32 -1.675 10.262 6.585 231 HG21 VAL 32 HG21 VAL 32 -1.262 13.303 3.644 232 HG22 VAL 32 HG22 VAL 32 -1.384 11.629 3.101 233 HG23 VAL 32 HG23 VAL 32 0.053 12.172 3.970 234 H HIS 33 H HIS 33 -4.827 10.130 5.593 235 HA HIS 33 HA HIS 33 -5.770 11.086 8.116 236 HB2 HIS 33 HB2 HIS 33 -7.190 9.717 6.640 237 HB3 HIS 33 HB3 HIS 33 -6.091 8.356 6.839 238 HD1 HIS 33 HD1 HIS 33 -8.340 10.552 8.985 239 HD2 HIS 33 HD2 HIS 33 -6.752 6.706 8.883 240 HE1 HIS 33 HE1 HIS 33 -9.392 9.330 10.915 241 HE2 HIS 33 HE2 HIS 33 -8.577 6.950 10.703 242 H TYR 34 H TYR 34 -3.526 8.573 7.083 243 HA TYR 34 HA TYR 34 -1.867 8.937 9.333 244 HB2 TYR 34 HB2 TYR 34 -2.214 7.025 10.627 245 HB3 TYR 34 HB3 TYR 34 -3.860 7.509 10.238 246 HD1 TYR 34 HD2 TYR 34 -4.948 6.335 8.176 247 HD2 TYR 34 HD1 TYR 34 -1.506 4.864 10.204 248 HE1 TYR 34 HE2 TYR 34 -5.355 4.098 7.242 249 HE2 TYR 34 HE1 TYR 34 -1.906 2.626 9.272 250 HH TYR 34 HH TYR 34 -3.922 1.329 8.392 251 H GLU 35 H GLU 35 0.027 7.529 9.220 252 HA GLU 35 HA GLU 35 0.215 5.860 6.841 253 HB2 GLU 35 HB2 GLU 35 2.570 6.869 6.467 254 HB3 GLU 35 HB3 GLU 35 1.169 7.736 5.865 255 HG2 GLU 35 HG2 GLU 35 2.686 9.296 6.831 256 HG3 GLU 35 HG3 GLU 35 1.259 9.192 7.858 257 H ASP 36 H ASP 36 2.076 4.432 6.877 258 HA ASP 36 HA ASP 36 3.655 4.194 9.250 259 HB2 ASP 36 HB2 ASP 36 1.292 3.129 9.727 260 HB3 ASP 36 HB3 ASP 36 1.908 1.803 8.745 261 H ALA 37 H ALA 37 5.022 2.123 9.070 262 HA ALA 37 HA ALA 37 5.391 0.998 6.476 263 HB1 ALA 37 HB1 ALA 37 7.527 2.058 5.940 264 HB2 ALA 37 HB2 ALA 37 7.355 3.120 7.339 265 HB3 ALA 37 HB3 ALA 37 6.221 3.240 5.993 266 H ASP 38 H ASP 38 6.702 -0.766 6.564 267 HA ASP 38 HA ASP 38 8.674 -1.121 8.609 268 HB2 ASP 38 HB2 ASP 38 6.354 -1.608 9.695 269 HB3 ASP 38 HB3 ASP 38 6.403 -3.090 8.749 270 H VAL 39 H VAL 39 9.460 -3.516 8.499 271 HA VAL 39 HA VAL 39 9.727 -4.160 5.661 272 HB VAL 39 HB VAL 39 11.584 -5.611 6.382 273 HG11 VAL 39 HG11 VAL 39 13.110 -3.822 7.100 274 HG12 VAL 39 HG12 VAL 39 11.717 -2.788 7.411 275 HG13 VAL 39 HG13 VAL 39 12.067 -3.326 5.768 276 HG21 VAL 39 HG21 VAL 39 10.996 -4.551 9.142 277 HG22 VAL 39 HG22 VAL 39 12.398 -5.522 8.689 278 HG23 VAL 39 HG23 VAL 39 10.780 -6.217 8.603 279 H GLY 40 H GLY 40 9.595 -6.384 4.943 280 HA2 GLY 40 HA2 GLY 40 8.780 -8.555 4.969 281 HA3 GLY 40 HA3 GLY 40 8.373 -8.347 6.666 282 H LYS 41 H LYS 41 7.278 -8.058 3.396 283 HA LYS 41 HA LYS 41 4.646 -7.146 4.313 284 HB2 LYS 41 HB2 LYS 41 5.736 -5.918 2.439 285 HB3 LYS 41 HB3 LYS 41 5.701 -7.396 1.489 286 HG2 LYS 41 HG2 LYS 41 3.256 -7.392 1.592 287 HG3 LYS 41 HG3 LYS 41 3.305 -5.891 2.517 288 HD2 LYS 41 HD2 LYS 41 4.314 -4.722 0.678 289 HD3 LYS 41 HD3 LYS 41 4.488 -6.220 -0.238 290 HE2 LYS 41 HE2 LYS 41 2.089 -6.437 -0.414 291 HE3 LYS 41 HE3 LYS 41 1.856 -5.022 0.613 292 HZ1 LYS 41 HZ1 LYS 41 2.733 -3.616 -1.053 293 HZ2 LYS 41 HZ2 LYS 41 1.632 -4.633 -1.835 294 HZ3 LYS 41 HZ3 LYS 41 3.297 -4.922 -1.985 295 H ASN 42 H ASN 42 3.904 -9.064 5.192 296 HA ASN 42 HA ASN 42 3.155 -11.122 3.242 297 HB2 ASN 42 HB2 ASN 42 4.427 -11.640 5.942 298 HB3 ASN 42 HB3 ASN 42 3.629 -12.880 4.981 299 HD21 ASN 42 HD21 ASN 42 4.624 -13.646 3.120 300 HD22 ASN 42 HD22 ASN 42 6.290 -13.324 2.762 301 HA PRO 43 HA PRO 43 -0.879 -10.768 4.999 302 HB2 PRO 43 HB2 PRO 43 -1.047 -13.730 4.886 303 HB3 PRO 43 HB3 PRO 43 -2.093 -12.512 4.149 304 HG2 PRO 43 HG2 PRO 43 -0.379 -13.917 2.667 305 HG3 PRO 43 HG3 PRO 43 -0.676 -12.198 2.342 306 HD2 PRO 43 HD2 PRO 43 1.639 -13.494 3.724 307 HD3 PRO 43 HD3 PRO 43 1.627 -12.135 2.582 308 H ALA 44 H ALA 44 1.208 -13.314 6.323 309 HA ALA 44 HA ALA 44 -0.343 -13.647 8.704 310 HB1 ALA 44 HB1 ALA 44 2.473 -14.536 8.107 311 HB2 ALA 44 HB2 ALA 44 1.006 -15.461 7.788 312 HB3 ALA 44 HB3 ALA 44 1.472 -15.091 9.448 313 H ALA 45 H ALA 45 1.656 -11.170 7.769 314 HA ALA 45 HA ALA 45 3.067 -10.697 10.209 315 HB1 ALA 45 HB1 ALA 45 2.492 -8.810 7.932 316 HB2 ALA 45 HB2 ALA 45 3.886 -9.884 8.053 317 HB3 ALA 45 HB3 ALA 45 3.685 -8.567 9.209 318 H ALA 46 H ALA 46 -0.143 -10.398 9.411 319 HA ALA 46 HA ALA 46 -0.902 -7.981 10.641 320 HB1 ALA 46 HB1 ALA 46 -3.150 -8.934 10.715 321 HB2 ALA 46 HB2 ALA 46 -2.491 -10.525 10.331 322 HB3 ALA 46 HB3 ALA 46 -2.383 -9.217 9.153 323 H THR 47 H THR 47 0.064 -11.019 11.937 324 HA THR 47 HA THR 47 -1.094 -10.990 14.467 325 HB THR 47 HB THR 47 1.728 -11.912 13.929 326 HG1 THR 47 HG1 THR 47 0.868 -13.138 12.426 327 HG21 THR 47 HG21 THR 47 -0.472 -12.982 15.705 328 HG22 THR 47 HG22 THR 47 0.933 -12.064 16.246 329 HG23 THR 47 HG23 THR 47 1.145 -13.667 15.542 330 H MET 48 H MET 48 1.565 -9.150 13.158 331 HA MET 48 HA MET 48 2.062 -7.938 15.796 332 HB2 MET 48 HB2 MET 48 3.782 -7.922 13.306 333 HB3 MET 48 HB3 MET 48 4.176 -7.097 14.807 334 HG2 MET 48 HG2 MET 48 4.233 -9.264 15.959 335 HG3 MET 48 HG3 MET 48 3.890 -10.068 14.428 336 HE1 MET 48 HE1 MET 48 7.111 -9.286 12.349 337 HE2 MET 48 HE2 MET 48 5.636 -8.320 12.373 338 HE3 MET 48 HE3 MET 48 5.535 -10.080 12.364 339 H ARG 49 H ARG 49 1.570 -7.214 12.373 340 HA ARG 49 HA ARG 49 0.981 -4.428 13.104 341 HB2 ARG 49 HB2 ARG 49 1.954 -5.583 10.482 342 HB3 ARG 49 HB3 ARG 49 1.552 -3.890 10.748 343 HG2 ARG 49 HG2 ARG 49 3.347 -3.611 12.273 344 HG3 ARG 49 HG3 ARG 49 3.645 -5.347 12.340 345 HD2 ARG 49 HD2 ARG 49 3.961 -3.659 9.864 346 HD3 ARG 49 HD3 ARG 49 5.281 -4.081 10.954 347 HE ARG 49 HE ARG 49 3.738 -6.026 9.362 348 HH11 ARG 49 HH11 ARG 49 6.688 -5.001 10.954 349 HH12 ARG 49 HH12 ARG 49 7.613 -6.362 10.379 350 HH21 ARG 49 HH21 ARG 49 4.975 -7.809 8.598 351 HH22 ARG 49 HH22 ARG 49 6.643 -7.953 9.045 352 H ASN 50 H ASN 50 -1.141 -4.174 13.284 353 HA ASN 50 HA ASN 50 -2.967 -5.972 11.956 354 HB2 ASN 50 HB2 ASN 50 -3.582 -3.624 13.763 355 HB3 ASN 50 HB3 ASN 50 -4.691 -4.914 13.306 356 HD21 ASN 50 HD21 ASN 50 -4.433 -6.972 14.229 357 HD22 ASN 50 HD22 ASN 50 -3.466 -7.221 15.639 358 H VAL 51 H VAL 51 -1.387 -3.530 10.761 359 HA VAL 51 HA VAL 51 -3.096 -1.648 9.684 360 HB VAL 51 HB VAL 51 -0.750 -2.864 8.216 361 HG11 VAL 51 HG11 VAL 51 -2.091 -1.344 6.872 362 HG12 VAL 51 HG12 VAL 51 -0.517 -0.634 7.237 363 HG13 VAL 51 HG13 VAL 51 -1.951 -0.100 8.116 364 HG21 VAL 51 HG21 VAL 51 0.639 -1.168 9.324 365 HG22 VAL 51 HG22 VAL 51 -0.051 -2.317 10.470 366 HG23 VAL 51 HG23 VAL 51 -0.742 -0.702 10.317 367 H ALA 52 H ALA 52 -2.597 -4.962 8.781 368 HA ALA 52 HA ALA 52 -3.634 -5.060 6.214 369 HB1 ALA 52 HB1 ALA 52 -4.130 -7.403 6.659 370 HB2 ALA 52 HB2 ALA 52 -3.944 -7.124 8.389 371 HB3 ALA 52 HB3 ALA 52 -2.556 -6.957 7.315 372 H GLY 53 H GLY 53 -5.297 -4.506 9.215 373 HA2 GLY 53 HA2 GLY 53 -7.904 -5.300 8.461 374 HA3 GLY 53 HA3 GLY 53 -7.508 -4.114 9.698 375 H GLU 54 H GLU 54 -6.338 -2.099 8.374 376 HA GLU 54 HA GLU 54 -8.486 -0.799 7.070 377 HB2 GLU 54 HB2 GLU 54 -5.560 -0.038 6.978 378 HB3 GLU 54 HB3 GLU 54 -6.925 1.010 6.624 379 HG2 GLU 54 HG2 GLU 54 -6.432 1.671 8.744 380 HG3 GLU 54 HG3 GLU 54 -7.618 0.412 9.079 381 H ILE 55 H ILE 55 -5.613 -2.459 5.916 382 HA ILE 55 HA ILE 55 -5.849 -1.778 3.190 383 HB ILE 55 HB ILE 55 -4.598 -4.238 4.429 384 HG12 ILE 55 HG12 ILE 55 -3.348 -1.610 3.598 385 HG13 ILE 55 HG13 ILE 55 -3.680 -2.091 5.259 386 HG21 ILE 55 HG21 ILE 55 -4.227 -3.023 1.693 387 HG22 ILE 55 HG22 ILE 55 -5.004 -4.564 2.056 388 HG23 ILE 55 HG23 ILE 55 -3.278 -4.353 2.355 389 HD11 ILE 55 HD11 ILE 55 -2.114 -3.948 5.031 390 HD12 ILE 55 HD12 ILE 55 -1.340 -2.399 4.695 391 HD13 ILE 55 HD13 ILE 55 -1.787 -3.466 3.365 392 H ALA 56 H ALA 56 -7.357 -4.257 5.152 393 HA ALA 56 HA ALA 56 -8.478 -5.737 2.992 394 HB1 ALA 56 HB1 ALA 56 -9.382 -5.561 5.866 395 HB2 ALA 56 HB2 ALA 56 -8.204 -6.705 5.219 396 HB3 ALA 56 HB3 ALA 56 -9.885 -6.778 4.692 397 H ALA 57 H ALA 57 -9.627 -3.068 5.013 398 HA ALA 57 HA ALA 57 -12.219 -2.962 3.819 399 HB1 ALA 57 HB1 ALA 57 -11.783 -2.040 6.043 400 HB2 ALA 57 HB2 ALA 57 -12.451 -0.820 4.957 401 HB3 ALA 57 HB3 ALA 57 -10.726 -0.821 5.330 402 H ALA 58 H ALA 58 -9.103 -1.570 3.105 403 HA ALA 58 HA ALA 58 -9.914 0.304 1.155 404 HB1 ALA 58 HB1 ALA 58 -7.310 -1.209 1.364 405 HB2 ALA 58 HB2 ALA 58 -7.685 0.317 2.166 406 HB3 ALA 58 HB3 ALA 58 -7.590 0.244 0.405 407 H LEU 59 H LEU 59 -9.567 -3.147 1.107 408 HA LEU 59 HA LEU 59 -9.438 -3.540 -1.687 409 HB2 LEU 59 HB2 LEU 59 -8.988 -5.270 0.081 410 HB3 LEU 59 HB3 LEU 59 -10.711 -5.348 0.375 411 HG LEU 59 HG LEU 59 -9.645 -5.915 -2.369 412 HD11 LEU 59 HD11 LEU 59 -9.792 -7.875 -0.078 413 HD12 LEU 59 HD12 LEU 59 -8.317 -7.294 -0.853 414 HD13 LEU 59 HD13 LEU 59 -9.464 -8.281 -1.762 415 HD21 LEU 59 HD21 LEU 59 -12.062 -5.700 -2.082 416 HD22 LEU 59 HD22 LEU 59 -12.028 -6.923 -0.811 417 HD23 LEU 59 HD23 LEU 59 -11.621 -7.364 -2.471 418 H TYR 60 H TYR 60 -12.109 -3.154 0.580 419 HA TYR 60 HA TYR 60 -14.187 -3.504 -1.320 420 HB2 TYR 60 HB2 TYR 60 -14.151 -2.064 1.337 421 HB3 TYR 60 HB3 TYR 60 -15.605 -2.332 0.383 422 HD1 TYR 60 HD1 TYR 60 -16.439 -4.650 0.037 423 HD2 TYR 60 HD2 TYR 60 -13.215 -3.794 2.678 424 HE1 TYR 60 HE1 TYR 60 -16.740 -6.844 1.105 425 HE2 TYR 60 HE2 TYR 60 -13.507 -5.985 3.750 426 HH TYR 60 HH TYR 60 -15.469 -8.445 2.412 427 H ALA 61 H ALA 61 -12.278 -0.767 -0.260 428 HA ALA 61 HA ALA 61 -13.765 1.254 -1.557 429 HB1 ALA 61 HB1 ALA 61 -11.772 2.632 -1.310 430 HB2 ALA 61 HB2 ALA 61 -10.816 1.203 -0.919 431 HB3 ALA 61 HB3 ALA 61 -12.095 1.733 0.172 432 H VAL 62 H VAL 62 -11.083 -0.802 -2.591 433 HA VAL 62 HA VAL 62 -10.743 0.266 -5.175 434 HB VAL 62 HB VAL 62 -10.287 -2.565 -4.197 435 HG11 VAL 62 HG11 VAL 62 -9.319 -1.231 -6.724 436 HG12 VAL 62 HG12 VAL 62 -10.492 -2.544 -6.618 437 HG13 VAL 62 HG13 VAL 62 -8.816 -2.820 -6.145 438 HG21 VAL 62 HG21 VAL 62 -7.934 -1.886 -4.069 439 HG22 VAL 62 HG22 VAL 62 -8.955 -0.910 -3.012 440 HG23 VAL 62 HG23 VAL 62 -8.386 -0.250 -4.546 441 H LYS 63 H LYS 63 -12.832 -2.318 -3.948 442 HA LYS 63 HA LYS 63 -13.933 -3.038 -6.456 443 HB2 LYS 63 HB2 LYS 63 -13.997 -4.400 -4.324 444 HB3 LYS 63 HB3 LYS 63 -15.267 -3.323 -3.761 445 HG2 LYS 63 HG2 LYS 63 -16.659 -3.976 -5.664 446 HG3 LYS 63 HG3 LYS 63 -15.386 -5.070 -6.209 447 HD2 LYS 63 HD2 LYS 63 -15.561 -6.237 -4.004 448 HD3 LYS 63 HD3 LYS 63 -16.969 -5.233 -3.650 449 HE2 LYS 63 HE2 LYS 63 -18.072 -6.115 -5.671 450 HE3 LYS 63 HE3 LYS 63 -16.678 -7.158 -5.955 451 HZ1 LYS 63 HZ1 LYS 63 -17.115 -8.179 -3.764 452 HZ2 LYS 63 HZ2 LYS 63 -18.382 -8.407 -4.867 453 HZ3 LYS 63 HZ3 LYS 63 -18.530 -7.253 -3.636 454 H LYS 64 H LYS 64 -14.884 -0.756 -3.958 455 HA LYS 64 HA LYS 64 -17.362 0.031 -5.063 456 HB2 LYS 64 HB2 LYS 64 -16.599 0.469 -2.723 457 HB3 LYS 64 HB3 LYS 64 -15.487 1.672 -3.354 458 HG2 LYS 64 HG2 LYS 64 -17.537 2.814 -4.344 459 HG3 LYS 64 HG3 LYS 64 -18.486 1.746 -3.310 460 HD2 LYS 64 HD2 LYS 64 -16.441 3.790 -2.454 461 HD3 LYS 64 HD3 LYS 64 -18.181 3.827 -2.164 462 HE2 LYS 64 HE2 LYS 64 -17.971 1.813 -0.772 463 HE3 LYS 64 HE3 LYS 64 -16.229 1.820 -1.040 464 HZ1 LYS 64 HZ1 LYS 64 -16.233 4.100 -0.036 465 HZ2 LYS 64 HZ2 LYS 64 -16.610 2.842 1.034 466 HZ3 LYS 64 HZ3 LYS 64 -17.844 3.829 0.418 467 H ALA 65 H ALA 65 -14.061 1.117 -5.578 468 HA ALA 65 HA ALA 65 -14.544 3.537 -6.865 469 HB1 ALA 65 HB1 ALA 65 -12.337 2.877 -6.113 470 HB2 ALA 65 HB2 ALA 65 -12.305 3.273 -7.830 471 HB3 ALA 65 HB3 ALA 65 -12.291 1.588 -7.315 472 H SER 66 H SER 66 -14.626 0.254 -8.093 473 HA SER 66 HA SER 66 -14.704 0.698 -10.833 474 HB2 SER 66 HB2 SER 66 -16.538 -1.334 -9.629 475 HB3 SER 66 HB3 SER 66 -15.452 -1.485 -11.010 476 HG SER 66 HG SER 66 -14.944 -1.789 -8.290 477 H GLN 67 H GLN 67 -17.233 0.953 -8.407 478 HA GLN 67 HA GLN 67 -19.406 1.233 -10.204 479 HB2 GLN 67 HB2 GLN 67 -19.168 2.047 -7.302 480 HB3 GLN 67 HB3 GLN 67 -20.656 1.849 -8.204 481 HG2 GLN 67 HG2 GLN 67 -20.298 -0.509 -8.418 482 HG3 GLN 67 HG3 GLN 67 -18.698 -0.370 -7.692 483 HE21 GLN 67 HE21 GLN 67 -22.124 -0.295 -7.118 484 HE22 GLN 67 HE22 GLN 67 -22.044 -0.449 -5.399 485 H LEU 68 H LEU 68 -17.202 3.455 -8.639 486 HA LEU 68 HA LEU 68 -18.735 5.785 -9.398 487 HB2 LEU 68 HB2 LEU 68 -16.105 5.388 -8.012 488 HB3 LEU 68 HB3 LEU 68 -16.574 6.970 -8.596 489 HG LEU 68 HG LEU 68 -18.650 6.781 -7.179 490 HD11 LEU 68 HD11 LEU 68 -17.173 4.429 -6.010 491 HD12 LEU 68 HD12 LEU 68 -18.699 4.371 -6.893 492 HD13 LEU 68 HD13 LEU 68 -18.616 5.184 -5.331 493 HD21 LEU 68 HD21 LEU 68 -17.478 7.344 -5.107 494 HD22 LEU 68 HD22 LEU 68 -16.739 8.118 -6.509 495 HD23 LEU 68 HD23 LEU 68 -15.982 6.702 -5.783 496 H GLY 69 H GLY 69 -16.158 3.892 -10.703 497 HA2 GLY 69 HA2 GLY 69 -15.585 3.960 -13.003 498 HA3 GLY 69 HA3 GLY 69 -16.157 5.621 -13.073 499 H VAL 70 H VAL 70 -14.237 4.915 -10.372 500 HA VAL 70 HA VAL 70 -11.919 6.192 -11.661 501 HB VAL 70 HB VAL 70 -11.308 7.091 -9.438 502 HG11 VAL 70 HG11 VAL 70 -14.080 7.867 -10.340 503 HG12 VAL 70 HG12 VAL 70 -12.565 8.476 -11.006 504 HG13 VAL 70 HG13 VAL 70 -13.005 8.842 -9.338 505 HG21 VAL 70 HG21 VAL 70 -12.942 7.065 -7.613 506 HG22 VAL 70 HG22 VAL 70 -12.424 5.435 -8.037 507 HG23 VAL 70 HG23 VAL 70 -13.997 6.027 -8.570 508 H LYS 71 H LYS 71 -9.838 5.705 -10.341 509 HA LYS 71 HA LYS 71 -9.799 3.129 -9.068 510 HB2 LYS 71 HB2 LYS 71 -8.327 2.043 -10.559 511 HB3 LYS 71 HB3 LYS 71 -9.703 2.621 -11.492 512 HG2 LYS 71 HG2 LYS 71 -8.495 4.271 -12.509 513 HG3 LYS 71 HG3 LYS 71 -7.267 4.295 -11.242 514 HD2 LYS 71 HD2 LYS 71 -6.700 1.926 -11.996 515 HD3 LYS 71 HD3 LYS 71 -7.651 2.301 -13.442 516 HE2 LYS 71 HE2 LYS 71 -6.303 4.367 -13.647 517 HE3 LYS 71 HE3 LYS 71 -5.255 3.740 -12.386 518 HZ1 LYS 71 HZ1 LYS 71 -5.812 2.185 -14.844 519 HZ2 LYS 71 HZ2 LYS 71 -4.540 1.986 -13.734 520 HZ3 LYS 71 HZ3 LYS 71 -4.553 3.319 -14.780 521 H ILE 72 H ILE 72 -7.364 2.521 -8.664 522 HA ILE 72 HA ILE 72 -5.910 4.997 -8.017 523 HB ILE 72 HB ILE 72 -4.990 3.875 -6.000 524 HG12 ILE 72 HG12 ILE 72 -6.627 1.962 -5.166 525 HG13 ILE 72 HG13 ILE 72 -6.820 1.691 -6.891 526 HG21 ILE 72 HG21 ILE 72 -7.984 4.176 -6.070 527 HG22 ILE 72 HG22 ILE 72 -6.800 5.451 -5.782 528 HG23 ILE 72 HG23 ILE 72 -6.995 4.147 -4.611 529 HD11 ILE 72 HD11 ILE 72 -4.402 1.377 -7.103 530 HD12 ILE 72 HD12 ILE 72 -5.127 0.233 -5.972 531 HD13 ILE 72 HD13 ILE 72 -4.231 1.624 -5.365 532 H ARG 73 H ARG 73 -3.518 4.541 -7.650 533 HA ARG 73 HA ARG 73 -2.565 2.331 -9.320 534 HB2 ARG 73 HB2 ARG 73 -0.977 3.804 -10.452 535 HB3 ARG 73 HB3 ARG 73 -2.630 4.320 -10.750 536 HG2 ARG 73 HG2 ARG 73 -2.408 6.126 -9.179 537 HG3 ARG 73 HG3 ARG 73 -0.804 5.562 -8.700 538 HD2 ARG 73 HD2 ARG 73 -0.038 5.930 -11.026 539 HD3 ARG 73 HD3 ARG 73 -1.622 6.606 -11.407 540 HE ARG 73 HE ARG 73 -0.768 8.064 -9.253 541 HH11 ARG 73 HH11 ARG 73 0.531 7.362 -12.426 542 HH12 ARG 73 HH12 ARG 73 1.406 8.856 -12.553 543 HH21 ARG 73 HH21 ARG 73 0.386 10.047 -9.399 544 HH22 ARG 73 HH22 ARG 73 1.349 10.380 -10.814 545 H ILE 74 H ILE 74 -0.665 1.417 -8.643 546 HA ILE 74 HA ILE 74 0.523 2.606 -6.233 547 HB ILE 74 HB ILE 74 -0.311 0.267 -6.007 548 HG12 ILE 74 HG12 ILE 74 2.696 0.427 -5.758 549 HG13 ILE 74 HG13 ILE 74 1.591 1.245 -4.658 550 HG21 ILE 74 HG21 ILE 74 0.160 -0.534 -8.255 551 HG22 ILE 74 HG22 ILE 74 0.938 -1.561 -7.051 552 HG23 ILE 74 HG23 ILE 74 1.895 -0.390 -7.961 553 HD11 ILE 74 HD11 ILE 74 1.765 -1.725 -5.111 554 HD12 ILE 74 HD12 ILE 74 0.654 -0.911 -4.007 555 HD13 ILE 74 HD13 ILE 74 2.394 -0.840 -3.721 556 H LEU 75 H LEU 75 2.720 3.054 -6.159 557 HA LEU 75 HA LEU 75 4.019 3.047 -8.802 558 HB2 LEU 75 HB2 LEU 75 4.164 5.170 -6.660 559 HB3 LEU 75 HB3 LEU 75 5.074 5.191 -8.155 560 HG LEU 75 HG LEU 75 2.718 5.131 -9.283 561 HD11 LEU 75 HD11 LEU 75 1.015 6.325 -7.964 562 HD12 LEU 75 HD12 LEU 75 2.050 6.191 -6.541 563 HD13 LEU 75 HD13 LEU 75 1.399 4.737 -7.300 564 HD21 LEU 75 HD21 LEU 75 2.648 7.571 -9.248 565 HD22 LEU 75 HD22 LEU 75 4.295 6.975 -9.453 566 HD23 LEU 75 HD23 LEU 75 3.768 7.587 -7.885 567 H HIS 76 H HIS 76 4.354 1.130 -6.477 568 HA HIS 76 HA HIS 76 7.254 1.410 -6.363 569 HB2 HIS 76 HB2 HIS 76 5.924 2.340 -4.241 570 HB3 HIS 76 HB3 HIS 76 6.003 0.639 -3.785 571 HD1 HIS 76 HD1 HIS 76 8.082 -0.019 -2.580 572 HD2 HIS 76 HD2 HIS 76 8.625 3.384 -4.903 573 HE1 HIS 76 HE1 HIS 76 10.428 0.756 -2.107 574 HE2 HIS 76 HE2 HIS 76 10.677 2.908 -3.405 575 H ASP 77 H ASP 77 5.060 -0.741 -4.539 576 HA ASP 77 HA ASP 77 6.638 -2.970 -5.565 577 HB2 ASP 77 HB2 ASP 77 6.450 -3.035 -3.195 578 HB3 ASP 77 HB3 ASP 77 4.710 -2.766 -3.255 579 H TYR 78 H TYR 78 5.980 -4.142 -7.152 580 HA TYR 78 HA TYR 78 3.138 -4.812 -7.380 581 HB2 TYR 78 HB2 TYR 78 3.851 -2.982 -9.024 582 HB3 TYR 78 HB3 TYR 78 4.864 -4.200 -9.787 583 HD1 TYR 78 HD2 TYR 78 1.333 -3.534 -8.815 584 HD2 TYR 78 HD1 TYR 78 3.976 -5.542 -11.477 585 HE1 TYR 78 HE2 TYR 78 -0.584 -4.245 -10.176 586 HE2 TYR 78 HE1 TYR 78 2.061 -6.256 -12.847 587 HH TYR 78 HH TYR 78 -0.370 -6.619 -12.564 588 H ALA 79 H ALA 79 6.112 -5.796 -6.775 589 HA ALA 79 HA ALA 79 6.201 -8.116 -8.542 590 HB1 ALA 79 HB1 ALA 79 8.240 -6.813 -8.338 591 HB2 ALA 79 HB2 ALA 79 8.472 -8.433 -7.683 592 HB3 ALA 79 HB3 ALA 79 8.248 -7.065 -6.592 593 H GLY 80 H GLY 80 6.255 -7.338 -5.061 594 HA2 GLY 80 HA2 GLY 80 6.481 -10.042 -4.212 595 HA3 GLY 80 HA3 GLY 80 5.997 -8.681 -3.211 596 H ILE 81 H ILE 81 3.791 -8.040 -5.045 597 HA ILE 81 HA ILE 81 1.739 -9.451 -3.732 598 HB ILE 81 HB ILE 81 1.548 -7.817 -6.271 599 HG12 ILE 81 HG12 ILE 81 1.247 -6.944 -3.388 600 HG13 ILE 81 HG13 ILE 81 2.647 -6.609 -4.401 601 HG21 ILE 81 HG21 ILE 81 -0.776 -7.453 -5.592 602 HG22 ILE 81 HG22 ILE 81 -0.534 -8.517 -4.207 603 HG23 ILE 81 HG23 ILE 81 -0.434 -9.165 -5.843 604 HD11 ILE 81 HD11 ILE 81 1.186 -4.680 -4.247 605 HD12 ILE 81 HD12 ILE 81 -0.157 -5.631 -4.882 606 HD13 ILE 81 HD13 ILE 81 1.243 -5.294 -5.900 607 H ALA 82 H ALA 82 3.507 -10.081 -6.646 608 HA ALA 82 HA ALA 82 1.497 -11.676 -7.915 609 HB1 ALA 82 HB1 ALA 82 3.224 -12.206 -9.542 610 HB2 ALA 82 HB2 ALA 82 4.448 -11.486 -8.493 611 HB3 ALA 82 HB3 ALA 82 3.188 -10.475 -9.202 612 H PHE 83 H PHE 83 3.528 -12.281 -5.322 613 HA PHE 83 HA PHE 83 4.259 -14.979 -5.896 614 HB2 PHE 83 HB2 PHE 83 5.571 -13.673 -4.328 615 HB3 PHE 83 HB3 PHE 83 4.170 -13.456 -3.284 616 HD1 PHE 83 HD1 PHE 83 6.406 -16.069 -4.699 617 HD2 PHE 83 HD2 PHE 83 3.748 -14.957 -1.567 618 HE1 PHE 83 HE1 PHE 83 7.023 -18.102 -3.462 619 HE2 PHE 83 HE2 PHE 83 4.363 -16.990 -0.323 620 HZ PHE 83 HZ PHE 83 6.001 -18.566 -1.270 621 H TRP 84 H TRP 84 1.670 -13.500 -3.966 622 HA TRP 84 HA TRP 84 0.778 -16.004 -2.923 623 HB2 TRP 84 HB2 TRP 84 -0.622 -13.325 -2.933 624 HB3 TRP 84 HB3 TRP 84 -1.042 -14.714 -1.929 625 HD1 TRP 84 HD1 TRP 84 1.161 -15.550 -0.297 626 HE1 TRP 84 HE1 TRP 84 2.685 -14.036 1.121 627 HE3 TRP 84 HE3 TRP 84 0.295 -11.110 -2.670 628 HZ2 TRP 84 HZ2 TRP 84 3.414 -11.304 1.214 629 HZ3 TRP 84 HZ3 TRP 84 1.443 -9.094 -1.856 630 HH2 TRP 84 HH2 TRP 84 2.970 -9.190 0.046 631 H ALA 85 H ALA 85 0.201 -14.336 -5.841 632 HA ALA 85 HA ALA 85 -2.423 -15.224 -6.416 633 HB1 ALA 85 HB1 ALA 85 -1.427 -13.372 -7.619 634 HB2 ALA 85 HB2 ALA 85 -1.887 -14.647 -8.747 635 HB3 ALA 85 HB3 ALA 85 -0.197 -14.441 -8.291 636 H THR 86 H THR 86 0.611 -16.823 -6.441 637 HA THR 86 HA THR 86 -0.579 -19.079 -7.913 638 HB THR 86 HB THR 86 1.257 -18.015 -9.165 639 HG1 THR 86 HG1 THR 86 1.907 -20.590 -8.122 640 HG21 THR 86 HG21 THR 86 2.565 -17.145 -7.300 641 HG22 THR 86 HG22 THR 86 3.563 -18.153 -8.347 642 HG23 THR 86 HG23 THR 86 2.979 -18.789 -6.810 643 H GLY 87 H GLY 87 -0.640 -18.420 -5.045 644 HA2 GLY 87 HA2 GLY 87 1.128 -19.877 -3.473 645 HA3 GLY 87 HA3 GLY 87 -0.544 -19.542 -3.047 646 H GLU 88 H GLU 88 -2.189 -21.037 -4.027 647 HA GLU 88 HA GLU 88 -1.194 -23.785 -3.918 648 HB2 GLU 88 HB2 GLU 88 -4.034 -22.754 -4.018 649 HB3 GLU 88 HB3 GLU 88 -3.553 -24.419 -3.773 650 HG2 GLU 88 HG2 GLU 88 -2.469 -23.732 -1.650 651 HG3 GLU 88 HG3 GLU 88 -3.135 -22.113 -1.895 652 H TRP 89 H TRP 89 -3.428 -21.845 -5.833 653 HA TRP 89 HA TRP 89 -2.687 -22.757 -8.376 654 HB2 TRP 89 HB2 TRP 89 -3.660 -24.900 -7.432 655 HB3 TRP 89 HB3 TRP 89 -5.200 -24.069 -7.271 656 HD1 TRP 89 HD1 TRP 89 -2.794 -24.066 -10.314 657 HE1 TRP 89 HE1 TRP 89 -4.122 -24.858 -12.376 658 HE3 TRP 89 HE3 TRP 89 -7.235 -25.180 -8.038 659 HZ2 TRP 89 HZ2 TRP 89 -6.700 -25.851 -12.949 660 HZ3 TRP 89 HZ3 TRP 89 -9.077 -26.058 -9.417 661 HH2 TRP 89 HH2 TRP 89 -8.813 -26.384 -11.820 662 H LYS 90 H LYS 90 -5.209 -22.502 -9.640 663 HA LYS 90 HA LYS 90 -5.557 -19.778 -9.800 664 HB2 LYS 90 HB2 LYS 90 -6.663 -22.069 -10.993 665 HB3 LYS 90 HB3 LYS 90 -8.030 -21.148 -10.380 666 HG2 LYS 90 HG2 LYS 90 -7.556 -20.527 -12.660 667 HG3 LYS 90 HG3 LYS 90 -7.219 -19.170 -11.580 668 HD2 LYS 90 HD2 LYS 90 -4.818 -19.858 -11.596 669 HD3 LYS 90 HD3 LYS 90 -5.225 -21.047 -12.837 670 HE2 LYS 90 HE2 LYS 90 -5.644 -18.079 -13.044 671 HE3 LYS 90 HE3 LYS 90 -4.325 -18.975 -13.794 672 HZ1 LYS 90 HZ1 LYS 90 -5.852 -20.129 -15.175 673 HZ2 LYS 90 HZ2 LYS 90 -6.236 -18.482 -15.292 674 HZ3 LYS 90 HZ3 LYS 90 -7.192 -19.508 -14.345 675 H ALA 91 H ALA 91 -6.692 -18.299 -8.777 676 HA ALA 91 HA ALA 91 -7.714 -18.761 -6.190 677 HB1 ALA 91 HB1 ALA 91 -6.709 -16.642 -6.887 678 HB2 ALA 91 HB2 ALA 91 -8.323 -16.411 -6.219 679 HB3 ALA 91 HB3 ALA 91 -8.075 -16.350 -7.964 680 H LYS 92 H LYS 92 -9.539 -19.710 -5.706 681 HA LYS 92 HA LYS 92 -11.812 -19.595 -7.552 682 HB2 LYS 92 HB2 LYS 92 -11.600 -21.280 -5.063 683 HB3 LYS 92 HB3 LYS 92 -12.624 -21.541 -6.470 684 HG2 LYS 92 HG2 LYS 92 -10.823 -22.276 -7.782 685 HG3 LYS 92 HG3 LYS 92 -9.628 -21.649 -6.643 686 HD2 LYS 92 HD2 LYS 92 -10.656 -23.309 -4.972 687 HD3 LYS 92 HD3 LYS 92 -11.389 -24.067 -6.390 688 HE2 LYS 92 HE2 LYS 92 -9.258 -25.128 -5.773 689 HE3 LYS 92 HE3 LYS 92 -9.192 -24.395 -7.375 690 HZ1 LYS 92 HZ1 LYS 92 -7.208 -23.958 -5.967 691 HZ2 LYS 92 HZ2 LYS 92 -8.186 -23.073 -4.908 692 HZ3 LYS 92 HZ3 LYS 92 -7.980 -22.548 -6.507 693 H ASN 93 H ASN 93 -13.415 -18.202 -7.121 694 HA ASN 93 HA ASN 93 -14.911 -16.890 -6.004 695 HB2 ASN 93 HB2 ASN 93 -15.213 -18.836 -4.483 696 HB3 ASN 93 HB3 ASN 93 -13.889 -18.246 -3.488 697 HD21 ASN 93 HD21 ASN 93 -17.209 -17.886 -4.348 698 HD22 ASN 93 HD22 ASN 93 -17.611 -16.722 -3.135 699 H GLU 94 H GLU 94 -14.967 -14.915 -4.692 700 HA GLU 94 HA GLU 94 -12.657 -13.359 -4.996 701 HB2 GLU 94 HB2 GLU 94 -15.140 -12.934 -3.341 702 HB3 GLU 94 HB3 GLU 94 -13.863 -11.732 -3.461 703 HG2 GLU 94 HG2 GLU 94 -14.196 -11.563 -5.845 704 HG3 GLU 94 HG3 GLU 94 -15.403 -12.847 -5.794 705 H PHE 95 H PHE 95 -13.633 -15.439 -2.406 706 HA PHE 95 HA PHE 95 -12.085 -14.387 -0.315 707 HB2 PHE 95 HB2 PHE 95 -13.776 -16.140 0.022 708 HB3 PHE 95 HB3 PHE 95 -12.786 -17.276 -0.886 709 HD1 PHE 95 HD2 PHE 95 -12.629 -15.063 2.105 710 HD2 PHE 95 HD1 PHE 95 -11.347 -18.664 0.238 711 HE1 PHE 95 HE2 PHE 95 -11.476 -15.725 4.176 712 HE2 PHE 95 HE1 PHE 95 -10.195 -19.333 2.301 713 HZ PHE 95 HZ PHE 95 -10.257 -17.863 4.277 714 H THR 96 H THR 96 -11.253 -17.005 -2.617 715 HA THR 96 HA THR 96 -8.544 -17.116 -1.746 716 HB THR 96 HB THR 96 -9.571 -18.106 -4.405 717 HG1 THR 96 HG1 THR 96 -10.889 -19.228 -3.146 718 HG21 THR 96 HG21 THR 96 -7.364 -19.078 -2.582 719 HG22 THR 96 HG22 THR 96 -7.137 -18.175 -4.079 720 HG23 THR 96 HG23 THR 96 -7.820 -19.799 -4.125 721 H GLN 97 H GLN 97 -10.269 -15.306 -4.205 722 HA GLN 97 HA GLN 97 -8.062 -14.363 -5.647 723 HB2 GLN 97 HB2 GLN 97 -10.839 -13.327 -5.187 724 HB3 GLN 97 HB3 GLN 97 -9.672 -12.403 -6.108 725 HG2 GLN 97 HG2 GLN 97 -9.396 -14.348 -7.620 726 HG3 GLN 97 HG3 GLN 97 -10.696 -15.153 -6.740 727 HE21 GLN 97 HE21 GLN 97 -12.804 -14.443 -7.003 728 HE22 GLN 97 HE22 GLN 97 -13.267 -13.382 -8.290 729 H ALA 98 H ALA 98 -9.540 -13.288 -2.642 730 HA ALA 98 HA ALA 98 -8.017 -10.892 -2.404 731 HB1 ALA 98 HB1 ALA 98 -9.344 -12.528 -0.243 732 HB2 ALA 98 HB2 ALA 98 -10.105 -11.235 -1.169 733 HB3 ALA 98 HB3 ALA 98 -8.765 -10.871 -0.082 734 H TYR 99 H TYR 99 -7.562 -14.224 -1.428 735 HA TYR 99 HA TYR 99 -5.205 -13.845 0.101 736 HB2 TYR 99 HB2 TYR 99 -6.529 -15.884 0.297 737 HB3 TYR 99 HB3 TYR 99 -6.224 -16.277 -1.389 738 HD1 TYR 99 HD2 TYR 99 -4.548 -15.830 1.892 739 HD2 TYR 99 HD1 TYR 99 -4.332 -17.546 -1.995 740 HE1 TYR 99 HE2 TYR 99 -2.554 -17.099 2.569 741 HE2 TYR 99 HE1 TYR 99 -2.339 -18.821 -1.328 742 HH TYR 99 HH TYR 99 -0.576 -18.766 0.320 743 H ALA 100 H ALA 100 -5.827 -14.519 -3.301 744 HA ALA 100 HA ALA 100 -3.104 -14.767 -4.074 745 HB1 ALA 100 HB1 ALA 100 -5.492 -14.018 -5.758 746 HB2 ALA 100 HB2 ALA 100 -4.960 -15.662 -5.409 747 HB3 ALA 100 HB3 ALA 100 -3.932 -14.584 -6.353 748 H LYS 101 H LYS 101 -5.425 -12.118 -4.131 749 HA LYS 101 HA LYS 101 -5.214 -9.876 -4.039 750 HB2 LYS 101 HB2 LYS 101 -3.465 -10.357 -2.320 751 HB3 LYS 101 HB3 LYS 101 -2.257 -10.308 -3.596 752 HG2 LYS 101 HG2 LYS 101 -2.340 -8.211 -2.360 753 HG3 LYS 101 HG3 LYS 101 -2.799 -7.979 -4.047 754 HD2 LYS 101 HD2 LYS 101 -5.170 -8.018 -3.387 755 HD3 LYS 101 HD3 LYS 101 -4.687 -8.204 -1.700 756 HE2 LYS 101 HE2 LYS 101 -3.535 -6.060 -1.782 757 HE3 LYS 101 HE3 LYS 101 -3.976 -5.873 -3.478 758 HZ1 LYS 101 HZ1 LYS 101 -6.322 -5.893 -2.798 759 HZ2 LYS 101 HZ2 LYS 101 -5.461 -4.609 -2.100 760 HZ3 LYS 101 HZ3 LYS 101 -5.848 -5.971 -1.168 761 H LEU 102 H LEU 102 -2.388 -11.179 -5.801 762 HA LEU 102 HA LEU 102 -2.222 -9.052 -7.654 763 HB2 LEU 102 HB2 LEU 102 -0.478 -10.823 -7.077 764 HB3 LEU 102 HB3 LEU 102 -1.350 -11.896 -8.149 765 HG LEU 102 HG LEU 102 0.744 -10.692 -9.039 766 HD11 LEU 102 HD11 LEU 102 -0.194 -10.486 -11.280 767 HD12 LEU 102 HD12 LEU 102 -1.823 -10.551 -10.608 768 HD13 LEU 102 HD13 LEU 102 -0.757 -11.949 -10.474 769 HD21 LEU 102 HD21 LEU 102 0.348 -8.477 -9.990 770 HD22 LEU 102 HD22 LEU 102 0.196 -8.467 -8.233 771 HD23 LEU 102 HD23 LEU 102 -1.249 -8.441 -9.244 772 H MET 103 H MET 103 -4.330 -11.744 -7.407 773 HA MET 103 HA MET 103 -5.147 -12.182 -10.024 774 HB2 MET 103 HB2 MET 103 -5.867 -13.481 -8.001 775 HB3 MET 103 HB3 MET 103 -6.948 -12.156 -7.596 776 HG2 MET 103 HG2 MET 103 -8.160 -13.934 -8.683 777 HG3 MET 103 HG3 MET 103 -8.141 -12.495 -9.705 778 HE1 MET 103 HE1 MET 103 -8.095 -15.479 -12.267 779 HE2 MET 103 HE2 MET 103 -8.941 -14.020 -11.752 780 HE3 MET 103 HE3 MET 103 -8.916 -15.438 -10.707 781 H ASN 104 H ASN 104 -5.772 -9.528 -7.899 782 HA ASN 104 HA ASN 104 -7.997 -8.290 -9.028 783 HB2 ASN 104 HB2 ASN 104 -6.474 -7.703 -6.952 784 HB3 ASN 104 HB3 ASN 104 -5.684 -6.636 -8.105 785 HD21 ASN 104 HD21 ASN 104 -6.887 -4.931 -9.032 786 HD22 ASN 104 HD22 ASN 104 -8.315 -4.332 -8.265 787 H GLN 105 H GLN 105 -4.910 -8.762 -10.382 788 HA GLN 105 HA GLN 105 -4.309 -6.561 -11.861 789 HB2 GLN 105 HB2 GLN 105 -3.167 -8.875 -11.623 790 HB3 GLN 105 HB3 GLN 105 -4.093 -9.305 -13.053 791 HG2 GLN 105 HG2 GLN 105 -2.704 -6.794 -13.377 792 HG3 GLN 105 HG3 GLN 105 -1.612 -8.115 -12.974 793 HE21 GLN 105 HE21 GLN 105 -4.603 -8.520 -14.742 794 HE22 GLN 105 HE22 GLN 105 -3.881 -8.937 -16.254 795 H TYR 106 H TYR 106 -6.735 -9.044 -12.760 796 HA TYR 106 HA TYR 106 -7.093 -7.980 -15.391 797 HB2 TYR 106 HB2 TYR 106 -8.873 -9.530 -15.670 798 HB3 TYR 106 HB3 TYR 106 -7.667 -10.349 -14.689 799 HD1 TYR 106 HD2 TYR 106 -8.109 -10.831 -12.326 800 HD2 TYR 106 HD1 TYR 106 -11.049 -8.961 -14.768 801 HE1 TYR 106 HE2 TYR 106 -9.824 -11.328 -10.636 802 HE2 TYR 106 HE1 TYR 106 -12.767 -9.455 -13.085 803 HH TYR 106 HH TYR 106 -13.096 -11.145 -11.228 804 H ARG 107 H ARG 107 -8.227 -7.122 -12.307 805 HA ARG 107 HA ARG 107 -10.585 -5.710 -13.172 806 HB2 ARG 107 HB2 ARG 107 -9.098 -5.672 -10.533 807 HB3 ARG 107 HB3 ARG 107 -10.689 -4.996 -10.819 808 HG2 ARG 107 HG2 ARG 107 -11.599 -7.179 -11.254 809 HG3 ARG 107 HG3 ARG 107 -9.995 -7.902 -11.118 810 HD2 ARG 107 HD2 ARG 107 -9.891 -7.126 -8.773 811 HD3 ARG 107 HD3 ARG 107 -11.539 -6.520 -8.928 812 HE ARG 107 HE ARG 107 -11.590 -9.197 -9.670 813 HH11 ARG 107 HH11 ARG 107 -10.839 -7.330 -6.804 814 HH12 ARG 107 HH12 ARG 107 -11.362 -8.562 -5.706 815 HH21 ARG 107 HH21 ARG 107 -12.244 -10.842 -8.237 816 HH22 ARG 107 HH22 ARG 107 -12.160 -10.574 -6.526 817 H GLY 108 H GLY 108 -10.546 -3.733 -14.064 818 HA2 GLY 108 HA2 GLY 108 -8.014 -2.447 -14.473 819 HA3 GLY 108 HA3 GLY 108 -9.565 -1.916 -15.094 820 H ILE 109 H ILE 109 -9.361 -2.406 -11.705 821 HA ILE 109 HA ILE 109 -9.464 0.489 -11.287 822 HB ILE 109 HB ILE 109 -10.018 -1.685 -9.254 823 HG12 ILE 109 HG12 ILE 109 -12.462 -0.821 -9.680 824 HG13 ILE 109 HG13 ILE 109 -11.815 -0.340 -11.244 825 HG21 ILE 109 HG21 ILE 109 -9.459 0.462 -8.272 826 HG22 ILE 109 HG22 ILE 109 -11.169 0.106 -8.031 827 HG23 ILE 109 HG23 ILE 109 -10.674 1.257 -9.271 828 HD11 ILE 109 HD11 ILE 109 -11.831 -3.129 -10.118 829 HD12 ILE 109 HD12 ILE 109 -11.164 -2.654 -11.679 830 HD13 ILE 109 HD13 ILE 109 -12.894 -2.503 -11.377 831 H TYR 110 H TYR 110 -7.334 -2.078 -11.190 832 HA TYR 110 HA TYR 110 -5.501 -0.570 -9.447 833 HB2 TYR 110 HB2 TYR 110 -6.388 -2.686 -8.403 834 HB3 TYR 110 HB3 TYR 110 -5.634 -3.583 -9.711 835 HD1 TYR 110 HD2 TYR 110 -4.887 -1.293 -6.887 836 HD2 TYR 110 HD1 TYR 110 -3.393 -4.271 -9.535 837 HE1 TYR 110 HE2 TYR 110 -2.825 -1.430 -5.556 838 HE2 TYR 110 HE1 TYR 110 -1.328 -4.419 -8.209 839 HH TYR 110 HH TYR 110 -0.041 -3.076 -6.643 840 H SER 111 H SER 111 -3.382 -0.436 -10.176 841 HA SER 111 HA SER 111 -2.351 -1.979 -12.316 842 HB2 SER 111 HB2 SER 111 -2.176 -0.184 -14.009 843 HB3 SER 111 HB3 SER 111 -3.861 -0.568 -13.660 844 HG SER 111 HG SER 111 -2.365 1.722 -13.027 845 H PHE 112 H PHE 112 -0.227 -0.963 -13.091 846 HA PHE 112 HA PHE 112 1.001 0.566 -10.897 847 HB2 PHE 112 HB2 PHE 112 1.781 -1.768 -10.897 848 HB3 PHE 112 HB3 PHE 112 2.239 -1.626 -12.588 849 HD1 PHE 112 HD2 PHE 112 3.059 -0.601 -9.159 850 HD2 PHE 112 HD1 PHE 112 4.297 -0.590 -13.230 851 HE1 PHE 112 HE2 PHE 112 5.305 0.125 -8.469 852 HE2 PHE 112 HE1 PHE 112 6.547 0.128 -12.546 853 HZ PHE 112 HZ PHE 112 7.053 0.490 -10.164 854 H GLU 113 H GLU 113 2.089 2.351 -11.487 855 HA GLU 113 HA GLU 113 2.748 2.716 -14.325 856 HB2 GLU 113 HB2 GLU 113 1.339 4.626 -12.484 857 HB3 GLU 113 HB3 GLU 113 2.342 5.243 -13.787 858 HG2 GLU 113 HG2 GLU 113 0.272 5.236 -14.760 859 HG3 GLU 113 HG3 GLU 113 0.904 3.679 -15.280 860 H LYS 114 H LYS 114 4.815 3.177 -14.651 861 HA LYS 114 HA LYS 114 6.399 3.868 -12.271 862 HB2 LYS 114 HB2 LYS 114 6.926 1.678 -13.301 863 HB3 LYS 114 HB3 LYS 114 7.342 2.505 -14.797 864 HG2 LYS 114 HG2 LYS 114 9.316 1.909 -13.459 865 HG3 LYS 114 HG3 LYS 114 9.167 3.650 -13.702 866 HD2 LYS 114 HD2 LYS 114 8.123 3.829 -11.467 867 HD3 LYS 114 HD3 LYS 114 8.396 2.103 -11.229 868 HE2 LYS 114 HE2 LYS 114 10.138 3.390 -10.140 869 HE3 LYS 114 HE3 LYS 114 10.809 2.461 -11.480 870 HZ1 LYS 114 HZ1 LYS 114 11.682 4.716 -11.417 871 HZ2 LYS 114 HZ2 LYS 114 10.120 5.354 -11.574 872 HZ3 LYS 114 HZ3 LYS 114 10.799 4.454 -12.839 873 H VAL 115 H VAL 115 6.824 5.925 -12.203 874 HA VAL 115 HA VAL 115 7.781 7.258 -14.649 875 HB VAL 115 HB VAL 115 6.996 9.399 -13.683 876 HG11 VAL 115 HG11 VAL 115 4.829 7.319 -13.949 877 HG12 VAL 115 HG12 VAL 115 5.583 8.203 -15.274 878 HG13 VAL 115 HG13 VAL 115 4.610 9.064 -14.083 879 HG21 VAL 115 HG21 VAL 115 7.044 8.754 -11.321 880 HG22 VAL 115 HG22 VAL 115 5.683 7.666 -11.591 881 HG23 VAL 115 HG23 VAL 115 5.472 9.407 -11.780 882 H LYS 116 H LYS 116 9.381 8.977 -14.239 883 HA LYS 116 HA LYS 116 10.961 8.403 -11.821 884 HB2 LYS 116 HB2 LYS 116 12.131 7.919 -13.949 885 HB3 LYS 116 HB3 LYS 116 11.915 9.595 -14.433 886 HG2 LYS 116 HG2 LYS 116 14.162 9.203 -13.589 887 HG3 LYS 116 HG3 LYS 116 13.282 10.329 -12.553 888 HD2 LYS 116 HD2 LYS 116 12.768 8.469 -11.015 889 HD3 LYS 116 HD3 LYS 116 13.716 7.387 -12.036 890 HE2 LYS 116 HE2 LYS 116 15.701 8.761 -11.636 891 HE3 LYS 116 HE3 LYS 116 14.753 9.826 -10.599 892 HZ1 LYS 116 HZ1 LYS 116 16.037 8.192 -9.332 893 HZ2 LYS 116 HZ2 LYS 116 15.213 6.933 -10.107 894 HZ3 LYS 116 HZ3 LYS 116 14.368 7.996 -9.087 895 H ALA 117 H ALA 117 10.295 9.829 -10.351 896 HA ALA 117 HA ALA 117 10.610 12.664 -10.997 897 HB1 ALA 117 HB1 ALA 117 8.490 13.254 -9.947 898 HB2 ALA 117 HB2 ALA 117 8.133 11.548 -9.687 899 HB3 ALA 117 HB3 ALA 117 8.231 12.189 -11.327 900 H HIS 118 H HIS 118 12.027 13.407 -9.575 901 HA HIS 118 HA HIS 118 12.066 12.276 -6.872 902 HB2 HIS 118 HB2 HIS 118 14.175 13.496 -6.556 903 HB3 HIS 118 HB3 HIS 118 14.240 12.470 -7.979 904 HD1 HIS 118 HD1 HIS 118 14.470 16.013 -6.886 905 HD2 HIS 118 HD2 HIS 118 14.332 13.861 -10.446 906 HE1 HIS 118 HE1 HIS 118 15.198 17.619 -8.687 907 HE2 HIS 118 HE2 HIS 118 15.161 16.277 -10.826 908 H SER 119 H SER 119 10.184 14.288 -8.238 909 HA SER 119 HA SER 119 10.335 16.579 -6.469 910 HB2 SER 119 HB2 SER 119 8.191 15.882 -8.492 911 HB3 SER 119 HB3 SER 119 8.553 17.472 -7.816 912 HG SER 119 HG SER 119 9.641 17.584 -9.651 913 H GLY 120 H GLY 120 9.977 14.095 -5.174 914 HA2 GLY 120 HA2 GLY 120 7.393 13.257 -4.671 915 HA3 GLY 120 HA3 GLY 120 8.747 13.065 -3.569 916 H ASN 121 H ASN 121 5.771 14.280 -3.915 917 HA ASN 121 HA ASN 121 5.659 16.690 -2.555 918 HB2 ASN 121 HB2 ASN 121 3.718 15.609 -3.640 919 HB3 ASN 121 HB3 ASN 121 3.711 14.373 -2.388 920 HD21 ASN 121 HD21 ASN 121 1.592 14.897 -1.829 921 HD22 ASN 121 HD22 ASN 121 1.221 16.332 -0.931 922 H GLU 122 H GLU 122 5.403 17.245 -0.357 923 HA GLU 122 HA GLU 122 7.259 16.085 1.333 924 HB2 GLU 122 HB2 GLU 122 6.306 18.398 1.514 925 HB3 GLU 122 HB3 GLU 122 4.874 17.688 2.249 926 HG2 GLU 122 HG2 GLU 122 6.322 16.751 4.028 927 HG3 GLU 122 HG3 GLU 122 7.680 17.620 3.318 928 H PHE 123 H PHE 123 3.848 15.382 1.036 929 HA PHE 123 HA PHE 123 3.534 13.965 3.444 930 HB2 PHE 123 HB2 PHE 123 2.026 13.794 0.837 931 HB3 PHE 123 HB3 PHE 123 1.543 12.936 2.296 932 HD1 PHE 123 HD2 PHE 123 1.237 14.412 4.424 933 HD2 PHE 123 HD1 PHE 123 1.196 15.912 0.442 934 HE1 PHE 123 HE2 PHE 123 0.000 16.397 5.186 935 HE2 PHE 123 HE1 PHE 123 -0.034 17.901 1.200 936 HZ PHE 123 HZ PHE 123 -0.639 18.145 3.570 937 H ASN 124 H ASN 124 4.814 13.001 0.327 938 HA ASN 124 HA ASN 124 4.784 10.189 0.963 939 HB2 ASN 124 HB2 ASN 124 4.693 10.982 -1.389 940 HB3 ASN 124 HB3 ASN 124 6.321 11.628 -1.215 941 HD21 ASN 124 HD21 ASN 124 8.064 10.244 -1.224 942 HD22 ASN 124 HD22 ASN 124 7.931 8.563 -1.631 943 H ASP 125 H ASP 125 7.092 12.843 1.085 944 HA ASP 125 HA ASP 125 9.382 11.369 1.779 945 HB2 ASP 125 HB2 ASP 125 9.445 13.745 1.111 946 HB3 ASP 125 HB3 ASP 125 8.620 14.184 2.602 947 H TYR 126 H TYR 126 6.681 12.556 3.621 948 HA TYR 126 HA TYR 126 7.630 12.177 6.223 949 HB2 TYR 126 HB2 TYR 126 5.475 13.328 5.400 950 HB3 TYR 126 HB3 TYR 126 4.766 11.720 5.396 951 HD1 TYR 126 HD1 TYR 126 4.780 10.423 7.624 952 HD2 TYR 126 HD2 TYR 126 5.524 14.602 7.350 953 HE1 TYR 126 HE1 TYR 126 4.227 10.673 10.005 954 HE2 TYR 126 HE2 TYR 126 4.970 14.862 9.732 955 HH TYR 126 HH TYR 126 4.672 12.208 11.850 956 H VAL 127 H VAL 127 5.860 9.944 4.075 957 HA VAL 127 HA VAL 127 5.979 7.820 6.009 958 HB VAL 127 HB VAL 127 4.118 8.069 4.331 959 HG11 VAL 127 HG11 VAL 127 6.144 6.932 2.416 960 HG12 VAL 127 HG12 VAL 127 5.448 8.551 2.350 961 HG13 VAL 127 HG13 VAL 127 4.422 7.137 2.103 962 HG21 VAL 127 HG21 VAL 127 5.557 5.427 4.455 963 HG22 VAL 127 HG22 VAL 127 3.874 5.649 3.973 964 HG23 VAL 127 HG23 VAL 127 4.381 6.045 5.616 965 H ASP 128 H ASP 128 7.938 8.908 3.345 966 HA ASP 128 HA ASP 128 9.411 6.557 2.859 967 HB2 ASP 128 HB2 ASP 128 9.522 8.476 1.346 968 HB3 ASP 128 HB3 ASP 128 10.278 9.448 2.604 969 H MET 129 H MET 129 10.104 9.307 5.021 970 HA MET 129 HA MET 129 12.449 8.199 6.128 971 HB2 MET 129 HB2 MET 129 12.243 9.856 7.889 972 HB3 MET 129 HB3 MET 129 11.874 10.590 6.336 973 HG2 MET 129 HG2 MET 129 9.504 10.481 6.823 974 HG3 MET 129 HG3 MET 129 9.838 9.675 8.354 975 HE1 MET 129 HE1 MET 129 11.757 12.508 10.305 976 HE2 MET 129 HE2 MET 129 12.480 11.279 9.266 977 HE3 MET 129 HE3 MET 129 11.172 10.845 10.368 978 H LYS 130 H LYS 130 9.056 7.784 6.875 979 HA LYS 130 HA LYS 130 9.331 6.463 9.350 980 HB2 LYS 130 HB2 LYS 130 7.176 7.315 8.565 981 HB3 LYS 130 HB3 LYS 130 7.196 6.185 7.220 982 HG2 LYS 130 HG2 LYS 130 5.709 5.361 8.895 983 HG3 LYS 130 HG3 LYS 130 7.132 4.320 8.853 984 HD2 LYS 130 HD2 LYS 130 7.093 4.592 11.085 985 HD3 LYS 130 HD3 LYS 130 7.890 6.123 10.721 986 HE2 LYS 130 HE2 LYS 130 4.919 5.728 11.077 987 HE3 LYS 130 HE3 LYS 130 6.012 6.398 12.284 988 HZ1 LYS 130 HZ1 LYS 130 4.917 8.181 11.198 989 HZ2 LYS 130 HZ2 LYS 130 5.285 7.584 9.656 990 HZ3 LYS 130 HZ3 LYS 130 6.524 8.191 10.653 991 H ALA 131 H ALA 131 9.497 5.342 6.017 992 HA ALA 131 HA ALA 131 9.575 2.566 6.575 993 HB1 ALA 131 HB1 ALA 131 10.715 4.050 4.208 994 HB2 ALA 131 HB2 ALA 131 9.062 3.449 4.347 995 HB3 ALA 131 HB3 ALA 131 10.412 2.314 4.300 996 H LYS 132 H LYS 132 12.066 5.047 6.280 997 HA LYS 132 HA LYS 132 14.313 3.355 6.453 998 HB2 LYS 132 HB2 LYS 132 13.825 6.258 6.988 999 HB3 LYS 132 HB3 LYS 132 15.345 5.545 7.510 1000 HG2 LYS 132 HG2 LYS 132 15.464 6.642 5.298 1001 HG3 LYS 132 HG3 LYS 132 15.901 4.934 5.260 1002 HD2 LYS 132 HD2 LYS 132 13.672 4.386 4.429 1003 HD3 LYS 132 HD3 LYS 132 13.226 6.091 4.484 1004 HE2 LYS 132 HE2 LYS 132 15.523 5.031 2.860 1005 HE3 LYS 132 HE3 LYS 132 13.887 5.195 2.228 1006 HZ1 LYS 132 HZ1 LYS 132 15.232 7.096 1.661 1007 HZ2 LYS 132 HZ2 LYS 132 15.562 7.408 3.295 1008 HZ3 LYS 132 HZ3 LYS 132 13.978 7.562 2.699 1009 H SER 133 H SER 133 12.229 4.768 8.866 1010 HA SER 133 HA SER 133 13.719 4.227 11.169 1011 HB2 SER 133 HB2 SER 133 11.691 5.667 11.081 1012 HB3 SER 133 HB3 SER 133 10.704 4.226 10.855 1013 HG SER 133 HG SER 133 11.820 5.260 13.137 1014 H ALA 134 H ALA 134 11.656 2.189 9.196 1015 HA ALA 134 HA ALA 134 11.442 0.053 11.074 1016 HB1 ALA 134 HB1 ALA 134 11.007 0.027 8.092 1017 HB2 ALA 134 HB2 ALA 134 9.790 0.422 9.305 1018 HB3 ALA 134 HB3 ALA 134 10.470 -1.204 9.235 1019 H LEU 135 H LEU 135 13.801 0.953 8.692 1020 HA LEU 135 HA LEU 135 15.046 -1.663 8.656 1021 HB2 LEU 135 HB2 LEU 135 15.565 0.941 7.287 1022 HB3 LEU 135 HB3 LEU 135 16.876 -0.213 7.421 1023 HG LEU 135 HG LEU 135 15.835 -0.458 5.273 1024 HD11 LEU 135 HD11 LEU 135 16.624 -2.502 6.310 1025 HD12 LEU 135 HD12 LEU 135 15.187 -2.821 5.340 1026 HD13 LEU 135 HD13 LEU 135 15.062 -2.731 7.097 1027 HD21 LEU 135 HD21 LEU 135 13.490 -1.080 5.011 1028 HD22 LEU 135 HD22 LEU 135 13.654 0.499 5.784 1029 HD23 LEU 135 HD23 LEU 135 13.247 -0.920 6.749 1030 H GLY 136 H GLY 136 15.007 0.989 10.657 1031 HA2 GLY 136 HA2 GLY 136 16.152 1.006 12.730 1032 HA3 GLY 136 HA3 GLY 136 17.416 0.031 11.999 1033 H ILE 137 H ILE 137 16.292 2.707 10.168 1034 HA ILE 137 HA ILE 137 18.834 4.049 10.561 1035 HB ILE 137 HB ILE 137 16.577 4.488 8.620 1036 HG12 ILE 137 HG12 ILE 137 18.475 4.261 6.974 1037 HG13 ILE 137 HG13 ILE 137 19.522 3.861 8.327 1038 HG21 ILE 137 HG21 ILE 137 17.783 6.412 7.700 1039 HG22 ILE 137 HG22 ILE 137 18.935 6.322 9.032 1040 HG23 ILE 137 HG23 ILE 137 17.244 6.707 9.352 1041 HD11 ILE 137 HD11 ILE 137 17.127 2.299 7.402 1042 HD12 ILE 137 HD12 ILE 137 18.125 1.903 8.801 1043 HD13 ILE 137 HD13 ILE 137 18.821 1.865 7.180 1044 H ARG 138 H ARG 138 19.023 5.252 12.271 1045 HA ARG 138 HA ARG 138 16.923 7.234 12.862 1046 HB2 ARG 138 HB2 ARG 138 18.711 5.640 14.592 1047 HB3 ARG 138 HB3 ARG 138 18.623 7.342 15.008 1048 HG2 ARG 138 HG2 ARG 138 17.032 6.184 16.324 1049 HG3 ARG 138 HG3 ARG 138 16.147 7.115 15.117 1050 HD2 ARG 138 HD2 ARG 138 15.840 5.120 13.769 1051 HD3 ARG 138 HD3 ARG 138 16.799 4.178 14.911 1052 HE ARG 138 HE ARG 138 14.847 5.154 16.481 1053 HH11 ARG 138 HH11 ARG 138 14.768 3.487 13.415 1054 HH12 ARG 138 HH12 ARG 138 13.210 2.777 13.691 1055 HH21 ARG 138 HH21 ARG 138 12.803 4.236 16.855 1056 HH22 ARG 138 HH22 ARG 138 12.081 3.210 15.642 1057 H ASP 139 H ASP 139 18.147 9.229 14.007 1058 HA ASP 139 HA ASP 139 20.023 10.371 12.245 1059 HB2 ASP 139 HB2 ASP 139 19.577 10.951 15.190 1060 HB3 ASP 139 HB3 ASP 139 20.456 11.987 14.071 1061 H LEU 140 H LEU 140 22.293 10.332 12.274 1062 HA LEU 140 HA LEU 140 23.397 7.911 13.249 1063 HB2 LEU 140 HB2 LEU 140 24.787 10.350 12.143 1064 HB3 LEU 140 HB3 LEU 140 25.549 8.796 12.420 1065 HG LEU 140 HG LEU 140 23.327 9.360 10.455 1066 HD11 LEU 140 HD11 LEU 140 25.017 8.849 8.771 1067 HD12 LEU 140 HD12 LEU 140 26.225 8.639 10.039 1068 HD13 LEU 140 HD13 LEU 140 25.503 10.224 9.763 1069 HD21 LEU 140 HD21 LEU 140 23.116 7.125 11.425 1070 HD22 LEU 140 HD22 LEU 140 24.802 6.791 11.028 1071 HD23 LEU 140 HD23 LEU 140 23.626 7.044 9.737 1072 H GLU 141 H GLU 141 22.979 10.939 14.698 1073 HA GLU 141 HA GLU 141 25.038 10.659 16.691 1074 HB2 GLU 141 HB2 GLU 141 23.819 12.591 17.756 1075 HB3 GLU 141 HB3 GLU 141 24.380 12.883 16.113 1076 HG2 GLU 141 HG2 GLU 141 22.135 12.429 15.264 1077 HG3 GLU 141 HG3 GLU 141 21.572 12.146 16.912 1078 H HIS 142 H HIS 142 22.188 9.084 16.143 1079 HA HIS 142 HA HIS 142 21.898 8.406 18.996 1080 HB2 HIS 142 HB2 HIS 142 19.774 8.908 16.931 1081 HB3 HIS 142 HB3 HIS 142 19.457 7.839 18.293 1082 HD1 HIS 142 HD1 HIS 142 19.590 11.387 17.344 1083 HD2 HIS 142 HD2 HIS 142 19.560 9.161 20.850 1084 HE1 HIS 142 HE1 HIS 142 18.998 13.008 19.163 1085 HE2 HIS 142 HE2 HIS 142 18.761 11.588 21.227 1086 H HIS 143 H HIS 143 21.371 6.222 19.442 1087 HA HIS 143 HA HIS 143 21.444 4.360 17.184 1088 HB2 HIS 143 HB2 HIS 143 23.338 4.238 19.543 1089 HB3 HIS 143 HB3 HIS 143 23.098 2.923 18.398 1090 HD1 HIS 143 HD1 HIS 143 25.255 5.715 19.011 1091 HD2 HIS 143 HD2 HIS 143 23.720 3.862 15.618 1092 HE1 HIS 143 HE1 HIS 143 26.730 6.454 17.104 1093 HE2 HIS 143 HE2 HIS 143 25.683 5.442 15.038 1094 H HIS 144 H HIS 144 20.520 2.305 17.662 1095 HA HIS 144 HA HIS 144 19.272 2.064 20.302 1096 HB2 HIS 144 HB2 HIS 144 17.636 3.138 18.743 1097 HB3 HIS 144 HB3 HIS 144 17.726 1.706 17.725 1098 HD1 HIS 144 HD1 HIS 144 15.833 0.170 18.110 1099 HD2 HIS 144 HD2 HIS 144 16.870 2.255 21.560 1100 HE1 HIS 144 HE1 HIS 144 14.220 -0.600 19.885 1101 HE2 HIS 144 HE2 HIS 144 14.749 0.813 21.904 1102 H HIS 145 H HIS 145 20.388 0.327 20.942 1103 HA HIS 145 HA HIS 145 19.875 -2.179 19.512 1104 HB2 HIS 145 HB2 HIS 145 22.578 -1.043 20.151 1105 HB3 HIS 145 HB3 HIS 145 22.340 -2.785 20.189 1106 HD1 HIS 145 HD1 HIS 145 23.391 -0.203 17.979 1107 HD2 HIS 145 HD2 HIS 145 21.156 -3.687 17.571 1108 HE1 HIS 145 HE1 HIS 145 23.479 -0.788 15.533 1109 HE2 HIS 145 HE2 HIS 145 22.339 -3.032 15.368 1110 H HIS 146 H HIS 146 20.540 -4.073 20.891 1111 HA HIS 146 HA HIS 146 20.605 -3.453 23.755 1112 HB2 HIS 146 HB2 HIS 146 18.932 -5.048 24.321 1113 HB3 HIS 146 HB3 HIS 146 18.249 -4.093 23.014 1114 HD1 HIS 146 HD1 HIS 146 19.242 -7.535 23.944 1115 HD2 HIS 146 HD2 HIS 146 17.994 -5.500 20.536 1116 HE1 HIS 146 HE1 HIS 146 18.608 -9.316 22.287 1117 HE2 HIS 146 HE2 HIS 146 17.977 -8.072 20.191 1118 H HIS 147 H HIS 147 21.454 -5.271 25.040 1119 HA HIS 147 HA HIS 147 23.526 -6.656 23.520 1120 HB2 HIS 147 HB2 HIS 147 24.106 -5.451 25.620 1121 HB3 HIS 147 HB3 HIS 147 23.063 -6.553 26.513 1122 HD1 HIS 147 HD1 HIS 147 23.905 -9.003 26.811 1123 HD2 HIS 147 HD2 HIS 147 26.612 -6.462 24.934 1124 HE1 HIS 147 HE1 HIS 147 26.110 -10.215 26.845 1125 HE2 HIS 147 HE2 HIS 147 27.741 -8.657 25.726 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -19.367 16.860 3.369 2 H2 MET 1 H2 MET 1 -19.250 15.408 4.231 3 H3 MET 1 H3 MET 1 -20.080 15.454 2.749 4 HA MET 1 HA MET 1 -17.192 15.970 3.105 5 HB2 MET 1 HB2 MET 1 -16.780 13.815 2.121 6 HB3 MET 1 HB3 MET 1 -17.856 13.589 3.490 7 HG2 MET 1 HG2 MET 1 -18.764 13.720 0.625 8 HG3 MET 1 HG3 MET 1 -18.416 12.228 1.495 9 HE1 MET 1 HE1 MET 1 -21.195 12.902 0.009 10 HE2 MET 1 HE2 MET 1 -22.338 12.259 1.189 11 HE3 MET 1 HE3 MET 1 -20.860 11.373 0.818 12 H ASP 2 H ASP 2 -16.078 16.435 1.225 13 HA ASP 2 HA ASP 2 -17.753 17.073 -1.124 14 HB2 ASP 2 HB2 ASP 2 -15.536 18.763 0.061 15 HB3 ASP 2 HB3 ASP 2 -16.317 19.079 -1.485 16 H ASP 3 H ASP 3 -15.611 15.002 -0.131 17 HA ASP 3 HA ASP 3 -13.503 15.371 -2.035 18 HB2 ASP 3 HB2 ASP 3 -12.674 13.169 -1.212 19 HB3 ASP 3 HB3 ASP 3 -12.908 14.359 0.060 20 H ARG 4 H ARG 4 -14.874 15.506 -3.895 21 HA ARG 4 HA ARG 4 -15.479 12.858 -5.002 22 HB2 ARG 4 HB2 ARG 4 -16.382 14.083 -6.955 23 HB3 ARG 4 HB3 ARG 4 -17.184 14.538 -5.461 24 HG2 ARG 4 HG2 ARG 4 -16.051 16.616 -5.383 25 HG3 ARG 4 HG3 ARG 4 -14.952 16.139 -6.679 26 HD2 ARG 4 HD2 ARG 4 -16.699 16.186 -8.290 27 HD3 ARG 4 HD3 ARG 4 -17.932 16.337 -7.038 28 HE ARG 4 HE ARG 4 -16.987 18.579 -6.580 29 HH11 ARG 4 HH11 ARG 4 -16.339 17.089 -9.697 30 HH12 ARG 4 HH12 ARG 4 -16.196 18.609 -10.526 31 HH21 ARG 4 HH21 ARG 4 -16.843 20.573 -7.707 32 HH22 ARG 4 HH22 ARG 4 -16.489 20.567 -9.412 33 H THR 5 H THR 5 -12.960 14.687 -4.434 34 HA THR 5 HA THR 5 -11.511 14.807 -6.846 35 HB THR 5 HB THR 5 -9.744 14.493 -4.631 36 HG1 THR 5 HG1 THR 5 -10.909 16.407 -3.469 37 HG21 THR 5 HG21 THR 5 -9.304 16.868 -5.012 38 HG22 THR 5 HG22 THR 5 -10.774 16.993 -5.981 39 HG23 THR 5 HG23 THR 5 -9.427 16.004 -6.544 40 H GLU 6 H GLU 6 -10.362 13.272 -7.888 41 HA GLU 6 HA GLU 6 -10.770 10.566 -7.339 42 HB2 GLU 6 HB2 GLU 6 -8.916 10.198 -9.010 43 HB3 GLU 6 HB3 GLU 6 -10.269 11.173 -9.562 44 HG2 GLU 6 HG2 GLU 6 -8.839 13.192 -8.932 45 HG3 GLU 6 HG3 GLU 6 -7.498 12.050 -8.840 46 H TYR 7 H TYR 7 -9.378 8.930 -6.580 47 HA TYR 7 HA TYR 7 -8.265 9.795 -4.104 48 HB2 TYR 7 HB2 TYR 7 -8.673 7.110 -5.381 49 HB3 TYR 7 HB3 TYR 7 -7.821 7.280 -3.852 50 HD1 TYR 7 HD2 TYR 7 -11.014 8.545 -5.383 51 HD2 TYR 7 HD1 TYR 7 -9.071 6.891 -1.975 52 HE1 TYR 7 HE2 TYR 7 -13.155 8.529 -4.171 53 HE2 TYR 7 HE1 TYR 7 -11.204 6.874 -0.762 54 HH TYR 7 HH TYR 7 -14.220 7.466 -2.306 55 H ASP 8 H ASP 8 -6.267 10.073 -3.499 56 HA ASP 8 HA ASP 8 -4.094 9.181 -5.272 57 HB2 ASP 8 HB2 ASP 8 -4.128 11.480 -3.298 58 HB3 ASP 8 HB3 ASP 8 -2.727 10.973 -4.232 59 H VAL 9 H VAL 9 -2.689 7.728 -4.449 60 HA VAL 9 HA VAL 9 -2.667 7.384 -1.525 61 HB VAL 9 HB VAL 9 -2.223 5.205 -3.580 62 HG11 VAL 9 HG11 VAL 9 -2.229 3.692 -1.651 63 HG12 VAL 9 HG12 VAL 9 -2.366 5.078 -0.568 64 HG13 VAL 9 HG13 VAL 9 -0.919 4.867 -1.554 65 HG21 VAL 9 HG21 VAL 9 -4.346 4.260 -2.751 66 HG22 VAL 9 HG22 VAL 9 -4.566 5.829 -3.525 67 HG23 VAL 9 HG23 VAL 9 -4.585 5.704 -1.767 68 H TYR 10 H TYR 10 -0.829 8.191 -0.793 69 HA TYR 10 HA TYR 10 1.562 7.941 -2.461 70 HB2 TYR 10 HB2 TYR 10 0.883 9.786 -0.177 71 HB3 TYR 10 HB3 TYR 10 2.531 9.604 -0.777 72 HD1 TYR 10 HD2 TYR 10 -0.828 10.861 -1.543 73 HD2 TYR 10 HD1 TYR 10 3.163 10.454 -2.955 74 HE1 TYR 10 HE2 TYR 10 -1.299 12.485 -3.325 75 HE2 TYR 10 HE1 TYR 10 2.704 12.078 -4.742 76 HH TYR 10 HH TYR 10 0.853 13.008 -5.950 77 H THR 11 H THR 11 2.802 6.328 -2.084 78 HA THR 11 HA THR 11 3.295 5.439 0.639 79 HB THR 11 HB THR 11 1.545 3.956 0.091 80 HG1 THR 11 HG1 THR 11 3.526 2.922 0.837 81 HG21 THR 11 HG21 THR 11 1.378 4.429 -2.294 82 HG22 THR 11 HG22 THR 11 1.407 2.689 -2.002 83 HG23 THR 11 HG23 THR 11 2.854 3.509 -2.592 84 H ASP 12 H ASP 12 5.374 6.120 0.560 85 HA ASP 12 HA ASP 12 7.094 5.190 -1.625 86 HB2 ASP 12 HB2 ASP 12 6.979 7.650 -0.598 87 HB3 ASP 12 HB3 ASP 12 8.095 6.957 0.572 88 H GLY 13 H GLY 13 9.519 5.093 -0.263 89 HA2 GLY 13 HA2 GLY 13 10.804 3.711 1.048 90 HA3 GLY 13 HA3 GLY 13 9.414 3.547 2.113 91 H SER 14 H SER 14 10.497 2.479 -1.106 92 HA SER 14 HA SER 14 8.954 0.065 -0.921 93 HB2 SER 14 HB2 SER 14 11.109 0.836 -2.908 94 HB3 SER 14 HB3 SER 14 10.000 -0.525 -3.068 95 HG SER 14 HG SER 14 9.610 2.051 -3.719 96 H TYR 15 H TYR 15 12.386 0.110 -1.774 97 HA TYR 15 HA TYR 15 13.075 -1.235 0.687 98 HB2 TYR 15 HB2 TYR 15 14.385 -2.993 -0.672 99 HB3 TYR 15 HB3 TYR 15 12.652 -3.212 -0.474 100 HD1 TYR 15 HD1 TYR 15 15.326 -2.395 -2.867 101 HD2 TYR 15 HD2 TYR 15 11.158 -3.065 -2.345 102 HE1 TYR 15 HE1 TYR 15 15.060 -2.621 -5.302 103 HE2 TYR 15 HE2 TYR 15 10.882 -3.283 -4.774 104 HH TYR 15 HH TYR 15 11.957 -2.668 -6.807 105 H VAL 16 H VAL 16 14.961 -0.590 1.430 106 HA VAL 16 HA VAL 16 16.741 0.866 -0.413 107 HB VAL 16 HB VAL 16 15.785 2.407 1.196 108 HG11 VAL 16 HG11 VAL 16 16.150 2.163 3.609 109 HG12 VAL 16 HG12 VAL 16 16.868 0.576 3.332 110 HG13 VAL 16 HG13 VAL 16 15.167 0.850 2.953 111 HG21 VAL 16 HG21 VAL 16 18.658 1.752 1.852 112 HG22 VAL 16 HG22 VAL 16 17.841 3.263 2.247 113 HG23 VAL 16 HG23 VAL 16 18.088 2.812 0.561 114 H ASN 17 H ASN 17 18.691 0.067 -0.690 115 HA ASN 17 HA ASN 17 20.492 -1.311 -0.571 116 HB2 ASN 17 HB2 ASN 17 19.978 -0.945 2.385 117 HB3 ASN 17 HB3 ASN 17 21.383 -1.791 1.751 118 HD21 ASN 17 HD21 ASN 17 21.747 -0.041 -0.516 119 HD22 ASN 17 HD22 ASN 17 22.359 1.449 0.117 120 H GLY 18 H GLY 18 17.769 -2.472 -0.681 121 HA2 GLY 18 HA2 GLY 18 17.303 -4.761 -1.133 122 HA3 GLY 18 HA3 GLY 18 18.542 -5.211 0.029 123 H GLN 19 H GLN 19 17.417 -3.195 1.969 124 HA GLN 19 HA GLN 19 15.602 -5.015 3.260 125 HB2 GLN 19 HB2 GLN 19 16.581 -2.254 4.003 126 HB3 GLN 19 HB3 GLN 19 15.458 -3.169 4.990 127 HG2 GLN 19 HG2 GLN 19 17.616 -3.414 5.929 128 HG3 GLN 19 HG3 GLN 19 17.181 -4.949 5.186 129 HE21 GLN 19 HE21 GLN 19 18.352 -5.693 3.448 130 HE22 GLN 19 HE22 GLN 19 19.819 -4.950 2.912 131 H TYR 20 H TYR 20 13.428 -5.004 3.116 132 HA TYR 20 HA TYR 20 12.207 -2.707 1.744 133 HB2 TYR 20 HB2 TYR 20 10.583 -4.133 0.817 134 HB3 TYR 20 HB3 TYR 20 12.084 -5.041 0.691 135 HD1 TYR 20 HD1 TYR 20 12.546 -6.816 2.489 136 HD2 TYR 20 HD2 TYR 20 8.722 -5.047 1.885 137 HE1 TYR 20 HE1 TYR 20 11.492 -8.696 3.674 138 HE2 TYR 20 HE2 TYR 20 7.659 -6.919 3.070 139 HH TYR 20 HH TYR 20 9.382 -9.124 4.947 140 H ALA 21 H ALA 21 10.242 -1.871 2.460 141 HA ALA 21 HA ALA 21 9.215 -2.777 5.034 142 HB1 ALA 21 HB1 ALA 21 9.294 -0.525 6.003 143 HB2 ALA 21 HB2 ALA 21 10.167 0.055 4.584 144 HB3 ALA 21 HB3 ALA 21 10.911 -1.134 5.653 145 H TRP 22 H TRP 22 7.186 -1.472 5.597 146 HA TRP 22 HA TRP 22 5.877 -0.616 3.113 147 HB2 TRP 22 HB2 TRP 22 3.727 -1.477 4.030 148 HB3 TRP 22 HB3 TRP 22 4.899 -2.734 3.678 149 HD1 TRP 22 HD1 TRP 22 6.076 -3.928 5.848 150 HE1 TRP 22 HE1 TRP 22 5.152 -4.303 8.226 151 HE3 TRP 22 HE3 TRP 22 2.294 -0.487 5.807 152 HZ2 TRP 22 HZ2 TRP 22 3.097 -3.280 9.855 153 HZ3 TRP 22 HZ3 TRP 22 0.897 -0.248 7.817 154 HH2 TRP 22 HH2 TRP 22 1.292 -1.617 9.797 155 H ALA 23 H ALA 23 5.013 1.308 3.120 156 HA ALA 23 HA ALA 23 4.177 2.625 5.561 157 HB1 ALA 23 HB1 ALA 23 6.360 3.755 3.808 158 HB2 ALA 23 HB2 ALA 23 6.566 3.148 5.452 159 HB3 ALA 23 HB3 ALA 23 5.588 4.587 5.159 160 H TYR 24 H TYR 24 2.547 4.080 5.136 161 HA TYR 24 HA TYR 24 2.077 5.005 2.443 162 HB2 TYR 24 HB2 TYR 24 -0.183 3.977 2.290 163 HB3 TYR 24 HB3 TYR 24 1.115 2.791 2.257 164 HD1 TYR 24 HD1 TYR 24 1.459 1.265 4.132 165 HD2 TYR 24 HD2 TYR 24 -1.719 4.096 4.166 166 HE1 TYR 24 HE1 TYR 24 0.408 0.057 5.997 167 HE2 TYR 24 HE2 TYR 24 -2.773 2.895 6.032 168 HH TYR 24 HH TYR 24 -1.186 0.588 7.865 169 H ALA 25 H ALA 25 0.474 6.589 2.290 170 HA ALA 25 HA ALA 25 -0.796 7.419 4.803 171 HB1 ALA 25 HB1 ALA 25 -0.387 9.773 4.241 172 HB2 ALA 25 HB2 ALA 25 0.551 9.276 2.834 173 HB3 ALA 25 HB3 ALA 25 1.123 8.889 4.457 174 H PHE 26 H PHE 26 -2.934 7.520 4.553 175 HA PHE 26 HA PHE 26 -4.088 7.453 1.892 176 HB2 PHE 26 HB2 PHE 26 -5.189 7.136 4.668 177 HB3 PHE 26 HB3 PHE 26 -6.280 7.470 3.327 178 HD1 PHE 26 HD1 PHE 26 -6.581 5.842 1.538 179 HD2 PHE 26 HD2 PHE 26 -4.107 5.006 4.898 180 HE1 PHE 26 HE1 PHE 26 -6.634 3.446 0.978 181 HE2 PHE 26 HE2 PHE 26 -4.153 2.613 4.337 182 HZ PHE 26 HZ PHE 26 -5.419 1.825 2.381 183 H VAL 27 H VAL 27 -4.128 9.321 0.874 184 HA VAL 27 HA VAL 27 -4.993 11.708 2.354 185 HB VAL 27 HB VAL 27 -2.683 11.976 1.765 186 HG11 VAL 27 HG11 VAL 27 -3.470 11.300 -1.063 187 HG12 VAL 27 HG12 VAL 27 -2.510 10.297 0.023 188 HG13 VAL 27 HG13 VAL 27 -1.874 11.841 -0.545 189 HG21 VAL 27 HG21 VAL 27 -4.420 13.526 -0.151 190 HG22 VAL 27 HG22 VAL 27 -2.765 13.946 0.299 191 HG23 VAL 27 HG23 VAL 27 -4.043 13.968 1.515 192 H LYS 28 H LYS 28 -6.786 12.655 1.680 193 HA LYS 28 HA LYS 28 -7.591 12.323 -1.135 194 HB2 LYS 28 HB2 LYS 28 -9.421 12.288 1.277 195 HB3 LYS 28 HB3 LYS 28 -9.970 12.383 -0.389 196 HG2 LYS 28 HG2 LYS 28 -8.813 10.175 -0.769 197 HG3 LYS 28 HG3 LYS 28 -8.606 10.085 0.982 198 HD2 LYS 28 HD2 LYS 28 -11.232 10.342 -0.484 199 HD3 LYS 28 HD3 LYS 28 -10.609 8.877 0.280 200 HE2 LYS 28 HE2 LYS 28 -10.758 9.862 2.449 201 HE3 LYS 28 HE3 LYS 28 -11.124 11.446 1.766 202 HZ1 LYS 28 HZ1 LYS 28 -13.090 10.283 2.636 203 HZ2 LYS 28 HZ2 LYS 28 -12.865 9.052 1.491 204 HZ3 LYS 28 HZ3 LYS 28 -13.221 10.633 0.981 205 H ASP 29 H ASP 29 -7.952 14.204 -2.139 206 HA ASP 29 HA ASP 29 -8.446 16.398 -2.518 207 HB2 ASP 29 HB2 ASP 29 -10.435 15.836 -1.084 208 HB3 ASP 29 HB3 ASP 29 -9.538 16.429 0.307 209 H GLY 30 H GLY 30 -6.051 15.364 -0.824 210 HA2 GLY 30 HA2 GLY 30 -4.025 16.561 -0.541 211 HA3 GLY 30 HA3 GLY 30 -4.956 18.035 -0.323 212 H LYS 31 H LYS 31 -6.462 15.697 1.460 213 HA LYS 31 HA LYS 31 -5.018 16.540 3.884 214 HB2 LYS 31 HB2 LYS 31 -7.901 15.726 3.509 215 HB3 LYS 31 HB3 LYS 31 -7.152 15.917 5.085 216 HG2 LYS 31 HG2 LYS 31 -8.405 17.889 4.565 217 HG3 LYS 31 HG3 LYS 31 -6.687 18.287 4.531 218 HD2 LYS 31 HD2 LYS 31 -6.661 18.266 2.145 219 HD3 LYS 31 HD3 LYS 31 -8.285 17.598 2.081 220 HE2 LYS 31 HE2 LYS 31 -9.187 19.658 3.015 221 HE3 LYS 31 HE3 LYS 31 -7.558 20.316 3.165 222 HZ1 LYS 31 HZ1 LYS 31 -8.943 19.617 0.622 223 HZ2 LYS 31 HZ2 LYS 31 -7.338 20.163 0.738 224 HZ3 LYS 31 HZ3 LYS 31 -8.610 21.179 1.199 225 H VAL 32 H VAL 32 -4.495 15.057 5.439 226 HA VAL 32 HA VAL 32 -4.391 12.271 4.464 227 HB VAL 32 HB VAL 32 -2.515 13.636 6.408 228 HG11 VAL 32 HG11 VAL 32 -2.368 10.910 5.120 229 HG12 VAL 32 HG12 VAL 32 -2.710 11.243 6.817 230 HG13 VAL 32 HG13 VAL 32 -1.128 11.635 6.144 231 HG21 VAL 32 HG21 VAL 32 -2.073 12.879 3.519 232 HG22 VAL 32 HG22 VAL 32 -0.872 13.572 4.610 233 HG23 VAL 32 HG23 VAL 32 -2.283 14.518 4.137 234 H HIS 33 H HIS 33 -5.468 10.785 5.579 235 HA HIS 33 HA HIS 33 -6.394 11.498 8.281 236 HB2 HIS 33 HB2 HIS 33 -8.162 11.274 6.552 237 HB3 HIS 33 HB3 HIS 33 -7.689 9.598 6.316 238 HD1 HIS 33 HD1 HIS 33 -10.112 8.897 6.998 239 HD2 HIS 33 HD2 HIS 33 -7.957 10.814 9.995 240 HE1 HIS 33 HE1 HIS 33 -11.363 8.447 9.131 241 HE2 HIS 33 HE2 HIS 33 -9.925 9.434 10.946 242 H TYR 34 H TYR 34 -4.730 9.079 6.393 243 HA TYR 34 HA TYR 34 -4.284 7.575 8.881 244 HB2 TYR 34 HB2 TYR 34 -4.839 6.419 6.145 245 HB3 TYR 34 HB3 TYR 34 -4.185 5.480 7.484 246 HD1 TYR 34 HD2 TYR 34 -5.577 5.177 9.549 247 HD2 TYR 34 HD1 TYR 34 -7.154 6.877 5.983 248 HE1 TYR 34 HE2 TYR 34 -7.857 4.746 10.362 249 HE2 TYR 34 HE1 TYR 34 -9.437 6.448 6.785 250 HH TYR 34 HH TYR 34 -10.154 5.683 9.975 251 H GLU 35 H GLU 35 -2.257 6.850 9.244 252 HA GLU 35 HA GLU 35 -0.181 6.974 7.236 253 HB2 GLU 35 HB2 GLU 35 -0.324 9.325 7.929 254 HB3 GLU 35 HB3 GLU 35 -0.157 8.852 9.613 255 HG2 GLU 35 HG2 GLU 35 2.080 7.803 8.835 256 HG3 GLU 35 HG3 GLU 35 1.891 8.871 7.445 257 H ASP 36 H ASP 36 1.103 5.255 7.659 258 HA ASP 36 HA ASP 36 2.144 4.806 10.292 259 HB2 ASP 36 HB2 ASP 36 -0.142 3.656 10.306 260 HB3 ASP 36 HB3 ASP 36 0.533 2.529 9.134 261 H ALA 37 H ALA 37 3.953 3.437 10.288 262 HA ALA 37 HA ALA 37 4.759 2.249 7.738 263 HB1 ALA 37 HB1 ALA 37 5.670 4.518 7.689 264 HB2 ALA 37 HB2 ALA 37 6.960 3.322 7.832 265 HB3 ALA 37 HB3 ALA 37 6.453 4.244 9.246 266 H ASP 38 H ASP 38 5.921 0.408 7.986 267 HA ASP 38 HA ASP 38 7.372 -0.197 10.395 268 HB2 ASP 38 HB2 ASP 38 5.037 -0.691 11.089 269 HB3 ASP 38 HB3 ASP 38 4.894 -1.823 9.749 270 H VAL 39 H VAL 39 8.231 -2.575 10.199 271 HA VAL 39 HA VAL 39 8.987 -2.898 7.372 272 HB VAL 39 HB VAL 39 10.495 -4.117 9.634 273 HG11 VAL 39 HG11 VAL 39 11.031 -4.885 7.413 274 HG12 VAL 39 HG12 VAL 39 12.379 -3.971 8.092 275 HG13 VAL 39 HG13 VAL 39 11.322 -3.224 6.891 276 HG21 VAL 39 HG21 VAL 39 10.879 -1.317 8.594 277 HG22 VAL 39 HG22 VAL 39 11.976 -2.158 9.692 278 HG23 VAL 39 HG23 VAL 39 10.337 -1.767 10.211 279 H GLY 40 H GLY 40 8.666 -4.739 6.360 280 HA2 GLY 40 HA2 GLY 40 8.034 -6.892 5.880 281 HA3 GLY 40 HA3 GLY 40 8.502 -7.292 7.521 282 H LYS 41 H LYS 41 5.915 -6.952 5.351 283 HA LYS 41 HA LYS 41 4.020 -7.280 7.573 284 HB2 LYS 41 HB2 LYS 41 2.237 -6.851 5.827 285 HB3 LYS 41 HB3 LYS 41 3.241 -5.478 6.262 286 HG2 LYS 41 HG2 LYS 41 4.365 -5.496 4.229 287 HG3 LYS 41 HG3 LYS 41 3.891 -7.159 3.873 288 HD2 LYS 41 HD2 LYS 41 2.660 -5.524 2.506 289 HD3 LYS 41 HD3 LYS 41 1.591 -6.466 3.542 290 HE2 LYS 41 HE2 LYS 41 1.561 -4.587 5.150 291 HE3 LYS 41 HE3 LYS 41 2.552 -3.650 4.032 292 HZ1 LYS 41 HZ1 LYS 41 -0.157 -4.724 3.433 293 HZ2 LYS 41 HZ2 LYS 41 0.791 -3.777 2.392 294 HZ3 LYS 41 HZ3 LYS 41 0.188 -3.112 3.826 295 H ASN 42 H ASN 42 4.721 -9.426 7.863 296 HA ASN 42 HA ASN 42 4.315 -11.357 5.764 297 HB2 ASN 42 HB2 ASN 42 5.018 -11.647 8.691 298 HB3 ASN 42 HB3 ASN 42 4.842 -13.012 7.593 299 HD21 ASN 42 HD21 ASN 42 7.167 -12.020 9.092 300 HD22 ASN 42 HD22 ASN 42 8.398 -11.756 7.906 301 HA PRO 43 HA PRO 43 0.125 -12.430 6.027 302 HB2 PRO 43 HB2 PRO 43 0.979 -15.185 6.811 303 HB3 PRO 43 HB3 PRO 43 -0.154 -14.673 5.556 304 HG2 PRO 43 HG2 PRO 43 2.309 -15.438 4.919 305 HG3 PRO 43 HG3 PRO 43 1.536 -14.076 4.085 306 HD2 PRO 43 HD2 PRO 43 3.686 -14.068 6.141 307 HD3 PRO 43 HD3 PRO 43 3.406 -12.949 4.794 308 H ALA 44 H ALA 44 1.854 -14.166 8.637 309 HA ALA 44 HA ALA 44 -0.404 -14.271 10.339 310 HB1 ALA 44 HB1 ALA 44 1.457 -15.852 10.517 311 HB2 ALA 44 HB2 ALA 44 1.144 -15.039 12.050 312 HB3 ALA 44 HB3 ALA 44 2.513 -14.545 11.054 313 H ALA 45 H ALA 45 2.538 -12.266 10.463 314 HA ALA 45 HA ALA 45 1.890 -10.772 12.712 315 HB1 ALA 45 HB1 ALA 45 3.497 -9.855 10.335 316 HB2 ALA 45 HB2 ALA 45 4.110 -10.821 11.677 317 HB3 ALA 45 HB3 ALA 45 3.546 -9.173 11.961 318 H ALA 46 H ALA 46 1.252 -9.966 9.294 319 HA ALA 46 HA ALA 46 0.165 -7.420 9.795 320 HB1 ALA 46 HB1 ALA 46 -0.705 -7.533 7.518 321 HB2 ALA 46 HB2 ALA 46 -0.364 -9.263 7.469 322 HB3 ALA 46 HB3 ALA 46 0.962 -8.107 7.597 323 H THR 47 H THR 47 -1.323 -10.608 9.682 324 HA THR 47 HA THR 47 -4.001 -9.596 9.853 325 HB THR 47 HB THR 47 -3.021 -12.394 10.451 326 HG1 THR 47 HG1 THR 47 -2.456 -12.148 8.373 327 HG21 THR 47 HG21 THR 47 -5.298 -11.942 11.224 328 HG22 THR 47 HG22 THR 47 -5.311 -13.042 9.844 329 HG23 THR 47 HG23 THR 47 -5.730 -11.343 9.621 330 H MET 48 H MET 48 -1.638 -10.949 12.107 331 HA MET 48 HA MET 48 -3.274 -11.034 14.394 332 HB2 MET 48 HB2 MET 48 -1.110 -12.182 14.263 333 HB3 MET 48 HB3 MET 48 -0.282 -10.633 14.192 334 HG2 MET 48 HG2 MET 48 -0.096 -11.543 16.403 335 HG3 MET 48 HG3 MET 48 -1.117 -10.107 16.445 336 HE1 MET 48 HE1 MET 48 -1.041 -14.041 16.567 337 HE2 MET 48 HE2 MET 48 -2.059 -13.688 15.170 338 HE3 MET 48 HE3 MET 48 -2.766 -14.415 16.615 339 H ARG 49 H ARG 49 -1.155 -8.520 13.107 340 HA ARG 49 HA ARG 49 -1.628 -6.708 15.277 341 HB2 ARG 49 HB2 ARG 49 -0.334 -6.382 12.575 342 HB3 ARG 49 HB3 ARG 49 -0.461 -5.073 13.741 343 HG2 ARG 49 HG2 ARG 49 0.907 -6.234 15.307 344 HG3 ARG 49 HG3 ARG 49 0.870 -7.701 14.328 345 HD2 ARG 49 HD2 ARG 49 2.991 -6.495 14.087 346 HD3 ARG 49 HD3 ARG 49 2.109 -6.595 12.566 347 HE ARG 49 HE ARG 49 1.425 -4.251 12.983 348 HH11 ARG 49 HH11 ARG 49 4.238 -5.516 14.635 349 HH12 ARG 49 HH12 ARG 49 5.034 -3.970 14.738 350 HH21 ARG 49 HH21 ARG 49 2.457 -2.209 13.123 351 HH22 ARG 49 HH22 ARG 49 4.013 -2.090 13.897 352 H ASN 50 H ASN 50 -3.524 -7.658 12.723 353 HA ASN 50 HA ASN 50 -5.611 -7.023 12.095 354 HB2 ASN 50 HB2 ASN 50 -5.974 -6.481 14.450 355 HB3 ASN 50 HB3 ASN 50 -5.257 -4.894 14.219 356 HD21 ASN 50 HD21 ASN 50 -6.489 -3.261 13.445 357 HD22 ASN 50 HD22 ASN 50 -8.174 -3.401 13.070 358 H VAL 51 H VAL 51 -2.910 -5.352 11.465 359 HA VAL 51 HA VAL 51 -3.658 -2.838 10.549 360 HB VAL 51 HB VAL 51 -1.518 -4.638 9.399 361 HG11 VAL 51 HG11 VAL 51 -1.868 -1.649 9.232 362 HG12 VAL 51 HG12 VAL 51 -2.042 -2.799 7.907 363 HG13 VAL 51 HG13 VAL 51 -0.465 -2.550 8.657 364 HG21 VAL 51 HG21 VAL 51 0.000 -3.415 10.891 365 HG22 VAL 51 HG22 VAL 51 -1.221 -4.321 11.783 366 HG23 VAL 51 HG23 VAL 51 -1.381 -2.574 11.593 367 H ALA 52 H ALA 52 -3.641 -5.938 8.847 368 HA ALA 52 HA ALA 52 -4.287 -4.966 6.289 369 HB1 ALA 52 HB1 ALA 52 -3.361 -7.193 6.680 370 HB2 ALA 52 HB2 ALA 52 -4.857 -7.274 5.749 371 HB3 ALA 52 HB3 ALA 52 -4.863 -7.683 7.463 372 H GLY 53 H GLY 53 -6.232 -5.210 9.082 373 HA2 GLY 53 HA2 GLY 53 -8.742 -5.808 7.922 374 HA3 GLY 53 HA3 GLY 53 -8.482 -5.009 9.466 375 H GLU 54 H GLU 54 -7.050 -2.747 8.463 376 HA GLU 54 HA GLU 54 -9.238 -1.056 7.900 377 HB2 GLU 54 HB2 GLU 54 -6.279 -0.526 7.573 378 HB3 GLU 54 HB3 GLU 54 -7.536 0.706 7.552 379 HG2 GLU 54 HG2 GLU 54 -6.856 -1.088 9.871 380 HG3 GLU 54 HG3 GLU 54 -6.414 0.609 9.708 381 H ILE 55 H ILE 55 -6.586 -2.198 5.827 382 HA ILE 55 HA ILE 55 -7.632 -0.993 3.484 383 HB ILE 55 HB ILE 55 -6.116 -2.800 2.334 384 HG12 ILE 55 HG12 ILE 55 -5.828 -3.938 4.663 385 HG13 ILE 55 HG13 ILE 55 -4.444 -3.802 3.584 386 HG21 ILE 55 HG21 ILE 55 -4.221 -1.275 2.555 387 HG22 ILE 55 HG22 ILE 55 -5.018 -0.488 3.915 388 HG23 ILE 55 HG23 ILE 55 -5.736 -0.409 2.308 389 HD11 ILE 55 HD11 ILE 55 -3.842 -3.272 5.875 390 HD12 ILE 55 HD12 ILE 55 -5.057 -1.994 5.911 391 HD13 ILE 55 HD13 ILE 55 -3.666 -1.857 4.836 392 H ALA 56 H ALA 56 -8.188 -4.063 5.057 393 HA ALA 56 HA ALA 56 -9.484 -5.378 2.916 394 HB1 ALA 56 HB1 ALA 56 -10.003 -5.689 5.871 395 HB2 ALA 56 HB2 ALA 56 -8.755 -6.536 4.959 396 HB3 ALA 56 HB3 ALA 56 -10.459 -6.829 4.603 397 H ALA 57 H ALA 57 -10.675 -3.228 5.472 398 HA ALA 57 HA ALA 57 -13.390 -3.260 4.635 399 HB1 ALA 57 HB1 ALA 57 -12.701 -2.528 6.872 400 HB2 ALA 57 HB2 ALA 57 -13.650 -1.291 6.049 401 HB3 ALA 57 HB3 ALA 57 -11.898 -1.125 6.166 402 H ALA 58 H ALA 58 -10.589 -1.332 3.794 403 HA ALA 58 HA ALA 58 -11.907 0.624 2.248 404 HB1 ALA 58 HB1 ALA 58 -9.063 -0.350 2.017 405 HB2 ALA 58 HB2 ALA 58 -9.630 0.920 3.101 406 HB3 ALA 58 HB3 ALA 58 -9.705 1.152 1.354 407 H LEU 59 H LEU 59 -11.071 -2.666 1.596 408 HA LEU 59 HA LEU 59 -10.892 -2.637 -1.201 409 HB2 LEU 59 HB2 LEU 59 -10.349 -4.570 0.266 410 HB3 LEU 59 HB3 LEU 59 -12.062 -4.808 0.543 411 HG LEU 59 HG LEU 59 -12.372 -5.254 -1.873 412 HD11 LEU 59 HD11 LEU 59 -10.405 -5.651 -3.273 413 HD12 LEU 59 HD12 LEU 59 -9.361 -5.092 -1.967 414 HD13 LEU 59 HD13 LEU 59 -10.489 -3.974 -2.736 415 HD21 LEU 59 HD21 LEU 59 -10.331 -6.969 -0.462 416 HD22 LEU 59 HD22 LEU 59 -11.253 -7.459 -1.882 417 HD23 LEU 59 HD23 LEU 59 -12.085 -7.120 -0.364 418 H TYR 60 H TYR 60 -13.673 -2.703 0.949 419 HA TYR 60 HA TYR 60 -15.629 -3.065 -1.081 420 HB2 TYR 60 HB2 TYR 60 -15.703 -2.132 1.763 421 HB3 TYR 60 HB3 TYR 60 -17.126 -1.925 0.746 422 HD1 TYR 60 HD1 TYR 60 -14.816 -4.448 2.178 423 HD2 TYR 60 HD2 TYR 60 -18.525 -3.749 0.220 424 HE1 TYR 60 HE1 TYR 60 -15.475 -6.783 2.600 425 HE2 TYR 60 HE2 TYR 60 -19.193 -6.075 0.635 426 HH TYR 60 HH TYR 60 -18.218 -8.207 1.072 427 H ALA 61 H ALA 61 -13.985 -0.259 0.220 428 HA ALA 61 HA ALA 61 -15.614 1.676 -1.091 429 HB1 ALA 61 HB1 ALA 61 -13.825 3.249 -0.610 430 HB2 ALA 61 HB2 ALA 61 -12.740 1.921 -0.197 431 HB3 ALA 61 HB3 ALA 61 -14.155 2.248 0.804 432 H VAL 62 H VAL 62 -12.734 -0.150 -1.954 433 HA VAL 62 HA VAL 62 -12.231 1.047 -4.457 434 HB VAL 62 HB VAL 62 -11.707 -1.807 -3.586 435 HG11 VAL 62 HG11 VAL 62 -10.517 -0.221 -5.858 436 HG12 VAL 62 HG12 VAL 62 -11.635 -1.573 -6.013 437 HG13 VAL 62 HG13 VAL 62 -10.019 -1.837 -5.359 438 HG21 VAL 62 HG21 VAL 62 -9.433 -1.014 -3.118 439 HG22 VAL 62 HG22 VAL 62 -10.635 -0.191 -2.122 440 HG23 VAL 62 HG23 VAL 62 -9.934 0.630 -3.516 441 H LYS 63 H LYS 63 -14.306 -1.641 -3.470 442 HA LYS 63 HA LYS 63 -15.272 -2.338 -6.010 443 HB2 LYS 63 HB2 LYS 63 -16.418 -2.599 -3.242 444 HB3 LYS 63 HB3 LYS 63 -17.338 -3.103 -4.653 445 HG2 LYS 63 HG2 LYS 63 -15.463 -4.598 -5.280 446 HG3 LYS 63 HG3 LYS 63 -14.660 -4.156 -3.771 447 HD2 LYS 63 HD2 LYS 63 -16.438 -5.107 -2.475 448 HD3 LYS 63 HD3 LYS 63 -17.412 -5.376 -3.924 449 HE2 LYS 63 HE2 LYS 63 -15.723 -6.950 -4.754 450 HE3 LYS 63 HE3 LYS 63 -14.765 -6.688 -3.299 451 HZ1 LYS 63 HZ1 LYS 63 -16.480 -7.670 -1.976 452 HZ2 LYS 63 HZ2 LYS 63 -16.122 -8.729 -3.246 453 HZ3 LYS 63 HZ3 LYS 63 -17.528 -7.788 -3.304 454 H LYS 64 H LYS 64 -16.443 0.039 -3.654 455 HA LYS 64 HA LYS 64 -18.630 0.957 -5.171 456 HB2 LYS 64 HB2 LYS 64 -16.931 2.389 -3.127 457 HB3 LYS 64 HB3 LYS 64 -18.416 3.043 -3.802 458 HG2 LYS 64 HG2 LYS 64 -19.626 1.071 -2.908 459 HG3 LYS 64 HG3 LYS 64 -18.127 0.566 -2.121 460 HD2 LYS 64 HD2 LYS 64 -19.589 1.800 -0.581 461 HD3 LYS 64 HD3 LYS 64 -18.069 2.655 -0.862 462 HE2 LYS 64 HE2 LYS 64 -19.179 4.088 -2.502 463 HE3 LYS 64 HE3 LYS 64 -20.698 3.240 -2.217 464 HZ1 LYS 64 HZ1 LYS 64 -20.626 5.298 -0.983 465 HZ2 LYS 64 HZ2 LYS 64 -19.190 4.830 -0.209 466 HZ3 LYS 64 HZ3 LYS 64 -20.630 3.984 0.089 467 H ALA 65 H ALA 65 -15.232 1.868 -5.121 468 HA ALA 65 HA ALA 65 -15.404 4.078 -6.864 469 HB1 ALA 65 HB1 ALA 65 -13.456 3.625 -5.442 470 HB2 ALA 65 HB2 ALA 65 -13.002 3.819 -7.135 471 HB3 ALA 65 HB3 ALA 65 -13.076 2.208 -6.422 472 H SER 66 H SER 66 -15.215 0.631 -7.414 473 HA SER 66 HA SER 66 -14.705 0.707 -10.194 474 HB2 SER 66 HB2 SER 66 -14.468 -1.333 -8.788 475 HB3 SER 66 HB3 SER 66 -16.221 -1.388 -8.608 476 HG SER 66 HG SER 66 -14.831 -1.510 -11.097 477 H GLN 67 H GLN 67 -17.672 0.687 -8.271 478 HA GLN 67 HA GLN 67 -19.463 0.691 -10.470 479 HB2 GLN 67 HB2 GLN 67 -19.935 1.662 -7.647 480 HB3 GLN 67 HB3 GLN 67 -21.153 1.193 -8.812 481 HG2 GLN 67 HG2 GLN 67 -19.094 -0.675 -7.686 482 HG3 GLN 67 HG3 GLN 67 -20.719 -0.482 -7.036 483 HE21 GLN 67 HE21 GLN 67 -21.338 -2.553 -7.415 484 HE22 GLN 67 HE22 GLN 67 -21.594 -3.206 -8.999 485 H LEU 68 H LEU 68 -17.718 3.119 -8.723 486 HA LEU 68 HA LEU 68 -19.314 5.328 -9.651 487 HB2 LEU 68 HB2 LEU 68 -18.072 5.225 -7.458 488 HB3 LEU 68 HB3 LEU 68 -16.583 5.378 -8.370 489 HG LEU 68 HG LEU 68 -17.369 7.577 -9.215 490 HD11 LEU 68 HD11 LEU 68 -19.276 8.642 -8.121 491 HD12 LEU 68 HD12 LEU 68 -19.616 7.144 -7.257 492 HD13 LEU 68 HD13 LEU 68 -19.764 7.202 -9.012 493 HD21 LEU 68 HD21 LEU 68 -15.894 7.458 -7.281 494 HD22 LEU 68 HD22 LEU 68 -17.287 7.287 -6.214 495 HD23 LEU 68 HD23 LEU 68 -17.040 8.786 -7.110 496 H GLY 69 H GLY 69 -16.508 3.591 -10.703 497 HA2 GLY 69 HA2 GLY 69 -15.556 3.660 -12.828 498 HA3 GLY 69 HA3 GLY 69 -16.463 5.127 -13.161 499 H VAL 70 H VAL 70 -14.424 4.645 -10.352 500 HA VAL 70 HA VAL 70 -12.454 6.508 -11.512 501 HB VAL 70 HB VAL 70 -11.994 7.328 -9.203 502 HG11 VAL 70 HG11 VAL 70 -13.399 8.628 -10.704 503 HG12 VAL 70 HG12 VAL 70 -13.972 8.773 -9.041 504 HG13 VAL 70 HG13 VAL 70 -14.818 7.725 -10.179 505 HG21 VAL 70 HG21 VAL 70 -12.871 5.450 -7.938 506 HG22 VAL 70 HG22 VAL 70 -14.499 5.802 -8.517 507 HG23 VAL 70 HG23 VAL 70 -13.675 6.943 -7.455 508 H LYS 71 H LYS 71 -10.413 6.373 -9.791 509 HA LYS 71 HA LYS 71 -9.812 3.605 -9.185 510 HB2 LYS 71 HB2 LYS 71 -7.897 3.466 -10.677 511 HB3 LYS 71 HB3 LYS 71 -9.360 3.779 -11.602 512 HG2 LYS 71 HG2 LYS 71 -8.707 6.227 -11.526 513 HG3 LYS 71 HG3 LYS 71 -7.134 5.678 -10.942 514 HD2 LYS 71 HD2 LYS 71 -6.962 5.941 -13.297 515 HD3 LYS 71 HD3 LYS 71 -7.006 4.209 -12.968 516 HE2 LYS 71 HE2 LYS 71 -9.403 4.188 -13.497 517 HE3 LYS 71 HE3 LYS 71 -9.328 5.910 -13.863 518 HZ1 LYS 71 HZ1 LYS 71 -9.210 4.660 -15.882 519 HZ2 LYS 71 HZ2 LYS 71 -7.917 3.730 -15.298 520 HZ3 LYS 71 HZ3 LYS 71 -7.702 5.385 -15.614 521 H ILE 72 H ILE 72 -7.443 3.444 -8.430 522 HA ILE 72 HA ILE 72 -6.660 5.947 -7.071 523 HB ILE 72 HB ILE 72 -5.874 4.667 -5.155 524 HG12 ILE 72 HG12 ILE 72 -7.035 2.231 -6.531 525 HG13 ILE 72 HG13 ILE 72 -5.316 2.576 -6.367 526 HG21 ILE 72 HG21 ILE 72 -8.029 3.932 -4.249 527 HG22 ILE 72 HG22 ILE 72 -8.722 3.995 -5.869 528 HG23 ILE 72 HG23 ILE 72 -8.157 5.474 -5.094 529 HD11 ILE 72 HD11 ILE 72 -5.520 2.444 -3.939 530 HD12 ILE 72 HD12 ILE 72 -6.048 0.952 -4.715 531 HD13 ILE 72 HD13 ILE 72 -7.241 2.097 -4.102 532 H ARG 73 H ARG 73 -4.396 6.248 -6.762 533 HA ARG 73 HA ARG 73 -2.777 4.706 -8.671 534 HB2 ARG 73 HB2 ARG 73 -2.523 7.531 -7.657 535 HB3 ARG 73 HB3 ARG 73 -1.177 6.708 -8.428 536 HG2 ARG 73 HG2 ARG 73 -2.164 7.954 -10.127 537 HG3 ARG 73 HG3 ARG 73 -2.751 6.312 -10.385 538 HD2 ARG 73 HD2 ARG 73 -4.592 7.801 -10.665 539 HD3 ARG 73 HD3 ARG 73 -4.821 6.936 -9.147 540 HE ARG 73 HE ARG 73 -3.720 9.098 -8.191 541 HH11 ARG 73 HH11 ARG 73 -5.954 8.892 -10.861 542 HH12 ARG 73 HH12 ARG 73 -6.670 10.450 -10.563 543 HH21 ARG 73 HH21 ARG 73 -4.629 11.167 -7.773 544 HH22 ARG 73 HH22 ARG 73 -5.909 11.744 -8.801 545 H ILE 74 H ILE 74 -1.466 3.253 -7.828 546 HA ILE 74 HA ILE 74 -0.262 3.785 -5.185 547 HB ILE 74 HB ILE 74 -0.688 1.111 -6.544 548 HG12 ILE 74 HG12 ILE 74 -2.061 2.306 -4.121 549 HG13 ILE 74 HG13 ILE 74 -2.776 2.155 -5.723 550 HG21 ILE 74 HG21 ILE 74 0.066 0.149 -4.411 551 HG22 ILE 74 HG22 ILE 74 0.406 1.770 -3.808 552 HG23 ILE 74 HG23 ILE 74 1.321 1.126 -5.171 553 HD11 ILE 74 HD11 ILE 74 -1.900 -0.118 -3.959 554 HD12 ILE 74 HD12 ILE 74 -2.616 -0.274 -5.564 555 HD13 ILE 74 HD13 ILE 74 -3.560 0.407 -4.237 556 H LEU 75 H LEU 75 1.847 4.281 -5.255 557 HA LEU 75 HA LEU 75 3.324 3.600 -7.710 558 HB2 LEU 75 HB2 LEU 75 3.777 5.915 -5.826 559 HB3 LEU 75 HB3 LEU 75 4.679 5.595 -7.296 560 HG LEU 75 HG LEU 75 1.747 6.304 -7.144 561 HD11 LEU 75 HD11 LEU 75 2.419 8.395 -8.198 562 HD12 LEU 75 HD12 LEU 75 4.109 7.897 -8.132 563 HD13 LEU 75 HD13 LEU 75 3.215 8.186 -6.639 564 HD21 LEU 75 HD21 LEU 75 3.522 5.837 -9.539 565 HD22 LEU 75 HD22 LEU 75 1.865 6.434 -9.588 566 HD23 LEU 75 HD23 LEU 75 2.197 4.803 -9.005 567 H HIS 76 H HIS 76 3.069 2.272 -4.894 568 HA HIS 76 HA HIS 76 5.847 2.244 -4.047 569 HB2 HIS 76 HB2 HIS 76 3.868 2.061 -2.450 570 HB3 HIS 76 HB3 HIS 76 3.627 0.436 -3.078 571 HD1 HIS 76 HD1 HIS 76 5.642 -1.295 -2.599 572 HD2 HIS 76 HD2 HIS 76 5.755 2.291 -0.496 573 HE1 HIS 76 HE1 HIS 76 7.221 -1.685 -0.681 574 HE2 HIS 76 HE2 HIS 76 7.403 0.547 0.480 575 H ASP 77 H ASP 77 7.335 0.822 -4.780 576 HA ASP 77 HA ASP 77 6.717 -0.893 -6.933 577 HB2 ASP 77 HB2 ASP 77 8.963 0.101 -6.583 578 HB3 ASP 77 HB3 ASP 77 9.189 -0.951 -5.189 579 H TYR 78 H TYR 78 5.875 -2.789 -6.964 580 HA TYR 78 HA TYR 78 6.533 -4.845 -5.060 581 HB2 TYR 78 HB2 TYR 78 4.564 -3.443 -4.105 582 HB3 TYR 78 HB3 TYR 78 3.607 -4.171 -5.390 583 HD1 TYR 78 HD2 TYR 78 5.823 -5.084 -2.537 584 HD2 TYR 78 HD1 TYR 78 2.548 -6.209 -5.009 585 HE1 TYR 78 HE2 TYR 78 5.417 -7.036 -1.101 586 HE2 TYR 78 HE1 TYR 78 2.132 -8.162 -3.576 587 HH TYR 78 HH TYR 78 3.582 -8.544 -0.525 588 H ALA 79 H ALA 79 6.667 -4.053 -7.925 589 HA ALA 79 HA ALA 79 4.648 -5.345 -9.436 590 HB1 ALA 79 HB1 ALA 79 5.945 -3.432 -10.258 591 HB2 ALA 79 HB2 ALA 79 6.020 -4.803 -11.363 592 HB3 ALA 79 HB3 ALA 79 7.387 -4.443 -10.312 593 H GLY 80 H GLY 80 7.836 -6.336 -8.337 594 HA2 GLY 80 HA2 GLY 80 8.169 -8.548 -10.039 595 HA3 GLY 80 HA3 GLY 80 8.946 -8.343 -8.478 596 H ILE 81 H ILE 81 6.657 -8.309 -6.861 597 HA ILE 81 HA ILE 81 6.258 -11.142 -6.605 598 HB ILE 81 HB ILE 81 4.952 -8.921 -5.024 599 HG12 ILE 81 HG12 ILE 81 7.381 -8.668 -4.940 600 HG13 ILE 81 HG13 ILE 81 6.776 -9.236 -3.390 601 HG21 ILE 81 HG21 ILE 81 3.902 -11.115 -4.765 602 HG22 ILE 81 HG22 ILE 81 4.689 -10.590 -3.278 603 HG23 ILE 81 HG23 ILE 81 5.457 -11.804 -4.302 604 HD11 ILE 81 HD11 ILE 81 8.082 -10.936 -5.502 605 HD12 ILE 81 HD12 ILE 81 7.481 -11.503 -3.946 606 HD13 ILE 81 HD13 ILE 81 8.830 -10.368 -4.008 607 H ALA 82 H ALA 82 4.600 -8.629 -8.193 608 HA ALA 82 HA ALA 82 1.930 -9.422 -7.631 609 HB1 ALA 82 HB1 ALA 82 2.507 -7.126 -8.174 610 HB2 ALA 82 HB2 ALA 82 1.290 -7.757 -9.285 611 HB3 ALA 82 HB3 ALA 82 2.972 -7.618 -9.803 612 H PHE 83 H PHE 83 4.204 -10.815 -9.732 613 HA PHE 83 HA PHE 83 2.462 -11.395 -11.908 614 HB2 PHE 83 HB2 PHE 83 4.176 -12.689 -12.829 615 HB3 PHE 83 HB3 PHE 83 5.033 -11.459 -11.913 616 HD1 PHE 83 HD1 PHE 83 6.178 -12.059 -9.818 617 HD2 PHE 83 HD2 PHE 83 4.312 -14.996 -12.261 618 HE1 PHE 83 HE1 PHE 83 7.463 -13.818 -8.679 619 HE2 PHE 83 HE2 PHE 83 5.589 -16.762 -11.122 620 HZ PHE 83 HZ PHE 83 7.171 -16.174 -9.329 621 H TRP 84 H TRP 84 2.784 -12.685 -8.784 622 HA TRP 84 HA TRP 84 1.840 -15.315 -9.225 623 HB2 TRP 84 HB2 TRP 84 1.809 -13.507 -6.814 624 HB3 TRP 84 HB3 TRP 84 1.177 -15.146 -6.769 625 HD1 TRP 84 HD1 TRP 84 4.493 -13.231 -7.125 626 HE1 TRP 84 HE1 TRP 84 6.423 -14.841 -6.546 627 HE3 TRP 84 HE3 TRP 84 1.820 -17.562 -6.659 628 HZ2 TRP 84 HZ2 TRP 84 6.752 -17.573 -5.968 629 HZ3 TRP 84 HZ3 TRP 84 3.018 -19.630 -6.087 630 HH2 TRP 84 HH2 TRP 84 5.435 -19.636 -5.748 631 H ALA 85 H ALA 85 0.285 -12.287 -9.362 632 HA ALA 85 HA ALA 85 -2.349 -13.309 -8.644 633 HB1 ALA 85 HB1 ALA 85 -3.080 -10.998 -8.900 634 HB2 ALA 85 HB2 ALA 85 -1.485 -10.553 -9.507 635 HB3 ALA 85 HB3 ALA 85 -1.672 -11.110 -7.845 636 H THR 86 H THR 86 -0.512 -13.426 -11.379 637 HA THR 86 HA THR 86 -2.909 -13.637 -13.044 638 HB THR 86 HB THR 86 -2.008 -11.382 -13.444 639 HG1 THR 86 HG1 THR 86 -1.956 -13.341 -15.481 640 HG21 THR 86 HG21 THR 86 0.159 -11.120 -14.591 641 HG22 THR 86 HG22 THR 86 0.475 -12.840 -14.358 642 HG23 THR 86 HG23 THR 86 0.339 -11.771 -12.961 643 H GLY 87 H GLY 87 -0.209 -15.087 -11.914 644 HA2 GLY 87 HA2 GLY 87 0.554 -16.440 -14.370 645 HA3 GLY 87 HA3 GLY 87 1.271 -16.675 -12.783 646 H GLU 88 H GLU 88 0.668 -18.386 -11.611 647 HA GLU 88 HA GLU 88 -1.484 -20.075 -12.638 648 HB2 GLU 88 HB2 GLU 88 0.565 -20.654 -10.494 649 HB3 GLU 88 HB3 GLU 88 -0.542 -21.806 -11.221 650 HG2 GLU 88 HG2 GLU 88 0.551 -21.587 -13.355 651 HG3 GLU 88 HG3 GLU 88 1.605 -20.326 -12.716 652 H TRP 89 H TRP 89 -0.246 -19.044 -9.489 653 HA TRP 89 HA TRP 89 -2.618 -17.867 -8.566 654 HB2 TRP 89 HB2 TRP 89 -3.217 -19.521 -6.801 655 HB3 TRP 89 HB3 TRP 89 -3.515 -20.128 -8.424 656 HD1 TRP 89 HD1 TRP 89 -0.904 -20.498 -5.579 657 HE1 TRP 89 HE1 TRP 89 0.150 -22.841 -5.757 658 HE3 TRP 89 HE3 TRP 89 -3.192 -22.081 -9.870 659 HZ2 TRP 89 HZ2 TRP 89 0.010 -25.068 -7.491 660 HZ3 TRP 89 HZ3 TRP 89 -2.683 -24.332 -10.718 661 HH2 TRP 89 HH2 TRP 89 -1.114 -25.795 -9.552 662 H LYS 90 H LYS 90 -2.296 -16.952 -6.444 663 HA LYS 90 HA LYS 90 0.499 -17.093 -5.564 664 HB2 LYS 90 HB2 LYS 90 -0.361 -14.830 -6.041 665 HB3 LYS 90 HB3 LYS 90 -1.639 -15.071 -4.859 666 HG2 LYS 90 HG2 LYS 90 0.235 -15.456 -3.165 667 HG3 LYS 90 HG3 LYS 90 1.305 -14.767 -4.386 668 HD2 LYS 90 HD2 LYS 90 -1.091 -13.440 -3.126 669 HD3 LYS 90 HD3 LYS 90 0.604 -13.049 -2.834 670 HE2 LYS 90 HE2 LYS 90 0.797 -12.475 -5.262 671 HE3 LYS 90 HE3 LYS 90 -0.946 -12.686 -5.391 672 HZ1 LYS 90 HZ1 LYS 90 -1.272 -10.940 -3.771 673 HZ2 LYS 90 HZ2 LYS 90 -0.329 -10.357 -5.059 674 HZ3 LYS 90 HZ3 LYS 90 0.405 -10.756 -3.579 675 H ALA 91 H ALA 91 0.786 -18.601 -4.048 676 HA ALA 91 HA ALA 91 -1.218 -18.750 -1.908 677 HB1 ALA 91 HB1 ALA 91 0.953 -20.734 -2.574 678 HB2 ALA 91 HB2 ALA 91 -0.751 -20.888 -3.003 679 HB3 ALA 91 HB3 ALA 91 -0.262 -20.902 -1.309 680 H LYS 92 H LYS 92 -0.548 -16.905 -0.846 681 HA LYS 92 HA LYS 92 2.177 -16.723 0.142 682 HB2 LYS 92 HB2 LYS 92 0.879 -14.704 -0.587 683 HB3 LYS 92 HB3 LYS 92 -0.214 -14.969 0.762 684 HG2 LYS 92 HG2 LYS 92 1.339 -13.258 1.361 685 HG3 LYS 92 HG3 LYS 92 1.702 -14.700 2.310 686 HD2 LYS 92 HD2 LYS 92 3.485 -15.265 0.671 687 HD3 LYS 92 HD3 LYS 92 3.166 -13.731 -0.145 688 HE2 LYS 92 HE2 LYS 92 3.685 -12.544 1.958 689 HE3 LYS 92 HE3 LYS 92 4.084 -14.090 2.706 690 HZ1 LYS 92 HZ1 LYS 92 5.517 -12.672 0.539 691 HZ2 LYS 92 HZ2 LYS 92 5.754 -14.323 0.821 692 HZ3 LYS 92 HZ3 LYS 92 6.115 -13.199 2.037 693 H ASN 93 H ASN 93 -0.929 -17.791 1.115 694 HA ASN 93 HA ASN 93 0.183 -18.863 3.569 695 HB2 ASN 93 HB2 ASN 93 -0.721 -16.742 4.325 696 HB3 ASN 93 HB3 ASN 93 -2.254 -17.068 3.520 697 HD21 ASN 93 HD21 ASN 93 -0.147 -18.008 6.159 698 HD22 ASN 93 HD22 ASN 93 -1.387 -18.753 7.121 699 H GLU 94 H GLU 94 -3.120 -18.438 2.318 700 HA GLU 94 HA GLU 94 -3.325 -21.117 1.355 701 HB2 GLU 94 HB2 GLU 94 -3.458 -21.654 3.718 702 HB3 GLU 94 HB3 GLU 94 -4.678 -20.415 3.968 703 HG2 GLU 94 HG2 GLU 94 -6.239 -21.669 2.565 704 HG3 GLU 94 HG3 GLU 94 -5.013 -22.911 2.317 705 H PHE 95 H PHE 95 -5.335 -18.603 2.839 706 HA PHE 95 HA PHE 95 -7.575 -18.920 1.197 707 HB2 PHE 95 HB2 PHE 95 -6.688 -16.346 2.501 708 HB3 PHE 95 HB3 PHE 95 -8.327 -16.825 2.088 709 HD1 PHE 95 HD1 PHE 95 -9.287 -18.881 3.294 710 HD2 PHE 95 HD2 PHE 95 -5.831 -16.778 4.608 711 HE1 PHE 95 HE1 PHE 95 -9.572 -19.827 5.550 712 HE2 PHE 95 HE2 PHE 95 -6.106 -17.720 6.861 713 HZ PHE 95 HZ PHE 95 -7.978 -19.248 7.335 714 H THR 96 H THR 96 -4.612 -17.222 0.727 715 HA THR 96 HA THR 96 -5.296 -15.297 -1.153 716 HB THR 96 HB THR 96 -2.706 -16.396 -1.749 717 HG1 THR 96 HG1 THR 96 -3.234 -15.960 1.034 718 HG21 THR 96 HG21 THR 96 -3.338 -14.038 -1.962 719 HG22 THR 96 HG22 THR 96 -1.951 -14.227 -0.889 720 HG23 THR 96 HG23 THR 96 -3.554 -13.933 -0.215 721 H GLN 97 H GLN 97 -4.780 -18.727 -1.519 722 HA GLN 97 HA GLN 97 -4.244 -18.973 -4.222 723 HB2 GLN 97 HB2 GLN 97 -4.661 -20.660 -2.122 724 HB3 GLN 97 HB3 GLN 97 -6.100 -20.958 -3.085 725 HG2 GLN 97 HG2 GLN 97 -3.421 -21.006 -4.388 726 HG3 GLN 97 HG3 GLN 97 -3.953 -22.379 -3.419 727 HE21 GLN 97 HE21 GLN 97 -5.780 -23.546 -4.069 728 HE22 GLN 97 HE22 GLN 97 -6.344 -23.499 -5.707 729 H ALA 98 H ALA 98 -7.344 -18.621 -2.581 730 HA ALA 98 HA ALA 98 -8.893 -19.070 -4.949 731 HB1 ALA 98 HB1 ALA 98 -9.770 -19.608 -2.731 732 HB2 ALA 98 HB2 ALA 98 -10.810 -18.458 -3.571 733 HB3 ALA 98 HB3 ALA 98 -9.727 -17.900 -2.296 734 H TYR 99 H TYR 99 -7.698 -16.257 -3.225 735 HA TYR 99 HA TYR 99 -9.351 -14.418 -4.698 736 HB2 TYR 99 HB2 TYR 99 -8.765 -13.938 -2.378 737 HB3 TYR 99 HB3 TYR 99 -7.056 -13.915 -2.795 738 HD1 TYR 99 HD1 TYR 99 -10.278 -12.197 -3.548 739 HD2 TYR 99 HD2 TYR 99 -6.032 -11.906 -3.416 740 HE1 TYR 99 HE1 TYR 99 -10.434 -9.787 -4.021 741 HE2 TYR 99 HE2 TYR 99 -6.177 -9.499 -3.891 742 HH TYR 99 HH TYR 99 -7.735 -7.908 -4.916 743 H ALA 100 H ALA 100 -5.893 -15.258 -4.680 744 HA ALA 100 HA ALA 100 -5.241 -13.058 -6.419 745 HB1 ALA 100 HB1 ALA 100 -3.507 -15.331 -5.489 746 HB2 ALA 100 HB2 ALA 100 -3.734 -13.800 -4.645 747 HB3 ALA 100 HB3 ALA 100 -2.961 -13.827 -6.231 748 H LYS 101 H LYS 101 -6.215 -16.291 -6.944 749 HA LYS 101 HA LYS 101 -4.766 -16.918 -9.259 750 HB2 LYS 101 HB2 LYS 101 -6.200 -18.482 -7.881 751 HB3 LYS 101 HB3 LYS 101 -7.599 -17.791 -8.694 752 HG2 LYS 101 HG2 LYS 101 -6.775 -18.558 -10.836 753 HG3 LYS 101 HG3 LYS 101 -5.301 -19.161 -10.076 754 HD2 LYS 101 HD2 LYS 101 -6.761 -21.023 -10.423 755 HD3 LYS 101 HD3 LYS 101 -6.721 -20.679 -8.694 756 HE2 LYS 101 HE2 LYS 101 -8.840 -19.451 -8.909 757 HE3 LYS 101 HE3 LYS 101 -8.887 -19.856 -10.624 758 HZ1 LYS 101 HZ1 LYS 101 -10.235 -21.436 -9.595 759 HZ2 LYS 101 HZ2 LYS 101 -9.168 -21.658 -8.299 760 HZ3 LYS 101 HZ3 LYS 101 -8.771 -22.262 -9.834 761 H LEU 102 H LEU 102 -7.657 -14.996 -8.790 762 HA LEU 102 HA LEU 102 -7.585 -14.300 -11.654 763 HB2 LEU 102 HB2 LEU 102 -9.987 -14.400 -9.822 764 HB3 LEU 102 HB3 LEU 102 -10.010 -13.828 -11.479 765 HG LEU 102 HG LEU 102 -9.341 -16.652 -10.637 766 HD11 LEU 102 HD11 LEU 102 -11.855 -15.506 -11.846 767 HD12 LEU 102 HD12 LEU 102 -11.676 -16.137 -10.208 768 HD13 LEU 102 HD13 LEU 102 -11.528 -17.220 -11.592 769 HD21 LEU 102 HD21 LEU 102 -9.792 -15.441 -13.364 770 HD22 LEU 102 HD22 LEU 102 -9.536 -17.152 -13.023 771 HD23 LEU 102 HD23 LEU 102 -8.247 -15.989 -12.714 772 H MET 103 H MET 103 -6.214 -13.126 -9.292 773 HA MET 103 HA MET 103 -7.574 -10.801 -8.423 774 HB2 MET 103 HB2 MET 103 -5.734 -11.849 -7.161 775 HB3 MET 103 HB3 MET 103 -4.606 -11.367 -8.419 776 HG2 MET 103 HG2 MET 103 -5.107 -9.013 -7.954 777 HG3 MET 103 HG3 MET 103 -6.204 -9.511 -6.668 778 HE1 MET 103 HE1 MET 103 -4.989 -8.069 -4.817 779 HE2 MET 103 HE2 MET 103 -3.982 -7.428 -6.114 780 HE3 MET 103 HE3 MET 103 -3.237 -8.020 -4.629 781 H ASN 104 H ASN 104 -5.253 -11.387 -11.022 782 HA ASN 104 HA ASN 104 -4.792 -8.693 -11.715 783 HB2 ASN 104 HB2 ASN 104 -3.429 -10.614 -12.517 784 HB3 ASN 104 HB3 ASN 104 -4.761 -11.096 -13.556 785 HD21 ASN 104 HD21 ASN 104 -3.480 -10.847 -15.407 786 HD22 ASN 104 HD22 ASN 104 -3.090 -9.279 -16.032 787 H GLN 105 H GLN 105 -7.321 -10.954 -12.608 788 HA GLN 105 HA GLN 105 -8.490 -9.327 -14.622 789 HB2 GLN 105 HB2 GLN 105 -8.784 -11.903 -13.866 790 HB3 GLN 105 HB3 GLN 105 -10.204 -11.205 -13.099 791 HG2 GLN 105 HG2 GLN 105 -9.810 -10.395 -15.882 792 HG3 GLN 105 HG3 GLN 105 -10.074 -12.119 -15.648 793 HE21 GLN 105 HE21 GLN 105 -11.453 -9.582 -13.631 794 HE22 GLN 105 HE22 GLN 105 -13.091 -9.857 -14.101 795 H TYR 106 H TYR 106 -8.803 -9.560 -11.156 796 HA TYR 106 HA TYR 106 -11.214 -7.998 -11.001 797 HB2 TYR 106 HB2 TYR 106 -10.766 -9.692 -9.316 798 HB3 TYR 106 HB3 TYR 106 -9.258 -8.899 -8.876 799 HD1 TYR 106 HD1 TYR 106 -12.938 -8.273 -9.004 800 HD2 TYR 106 HD2 TYR 106 -9.233 -7.409 -7.111 801 HE1 TYR 106 HE1 TYR 106 -14.125 -6.971 -7.285 802 HE2 TYR 106 HE2 TYR 106 -10.408 -6.104 -5.394 803 HH TYR 106 HH TYR 106 -12.518 -4.910 -5.114 804 H ARG 107 H ARG 107 -7.761 -7.387 -10.722 805 HA ARG 107 HA ARG 107 -8.009 -4.819 -9.562 806 HB2 ARG 107 HB2 ARG 107 -5.663 -4.547 -10.026 807 HB3 ARG 107 HB3 ARG 107 -5.947 -6.170 -9.443 808 HG2 ARG 107 HG2 ARG 107 -4.505 -6.601 -11.137 809 HG3 ARG 107 HG3 ARG 107 -6.030 -6.717 -12.016 810 HD2 ARG 107 HD2 ARG 107 -5.757 -4.393 -12.766 811 HD3 ARG 107 HD3 ARG 107 -4.223 -4.300 -11.899 812 HE ARG 107 HE ARG 107 -4.400 -6.455 -13.816 813 HH11 ARG 107 HH11 ARG 107 -3.440 -3.126 -13.265 814 HH12 ARG 107 HH12 ARG 107 -2.391 -3.071 -14.651 815 HH21 ARG 107 HH21 ARG 107 -3.019 -6.391 -15.612 816 HH22 ARG 107 HH22 ARG 107 -2.148 -4.930 -15.985 817 H GLY 108 H GLY 108 -7.326 -2.793 -10.627 818 HA2 GLY 108 HA2 GLY 108 -7.298 -1.983 -13.142 819 HA3 GLY 108 HA3 GLY 108 -8.975 -2.504 -13.013 820 H ILE 109 H ILE 109 -9.672 -1.757 -10.517 821 HA ILE 109 HA ILE 109 -9.785 1.106 -10.571 822 HB ILE 109 HB ILE 109 -10.483 -0.694 -8.243 823 HG12 ILE 109 HG12 ILE 109 -12.888 -0.257 -9.208 824 HG13 ILE 109 HG13 ILE 109 -12.025 -0.034 -10.726 825 HG21 ILE 109 HG21 ILE 109 -11.425 2.069 -8.986 826 HG22 ILE 109 HG22 ILE 109 -10.288 1.667 -7.701 827 HG23 ILE 109 HG23 ILE 109 -11.965 1.135 -7.592 828 HD11 ILE 109 HD11 ILE 109 -11.117 -2.277 -10.560 829 HD12 ILE 109 HD12 ILE 109 -12.879 -2.308 -10.467 830 HD13 ILE 109 HD13 ILE 109 -11.914 -2.499 -9.002 831 H TYR 110 H TYR 110 -8.116 -1.354 -8.689 832 HA TYR 110 HA TYR 110 -6.219 0.713 -7.826 833 HB2 TYR 110 HB2 TYR 110 -5.510 -0.797 -6.057 834 HB3 TYR 110 HB3 TYR 110 -7.250 -0.579 -5.968 835 HD1 TYR 110 HD2 TYR 110 -8.755 -2.431 -6.783 836 HD2 TYR 110 HD1 TYR 110 -4.554 -2.945 -6.344 837 HE1 TYR 110 HE2 TYR 110 -9.057 -4.872 -6.788 838 HE2 TYR 110 HE1 TYR 110 -4.845 -5.386 -6.351 839 HH TYR 110 HH TYR 110 -7.733 -6.894 -7.280 840 H SER 111 H SER 111 -4.035 0.404 -8.267 841 HA SER 111 HA SER 111 -2.991 -1.943 -9.454 842 HB2 SER 111 HB2 SER 111 -4.440 -0.914 -11.332 843 HB3 SER 111 HB3 SER 111 -3.223 0.361 -11.399 844 HG SER 111 HG SER 111 -2.008 -0.944 -12.501 845 H PHE 112 H PHE 112 -0.743 -1.613 -10.127 846 HA PHE 112 HA PHE 112 0.467 0.604 -8.622 847 HB2 PHE 112 HB2 PHE 112 2.444 -0.902 -8.382 848 HB3 PHE 112 HB3 PHE 112 0.992 -1.553 -7.626 849 HD1 PHE 112 HD1 PHE 112 -0.198 -3.436 -8.642 850 HD2 PHE 112 HD2 PHE 112 3.465 -1.991 -10.255 851 HE1 PHE 112 HE1 PHE 112 0.039 -5.504 -9.951 852 HE2 PHE 112 HE2 PHE 112 3.707 -4.057 -11.566 853 HZ PHE 112 HZ PHE 112 1.990 -5.818 -11.416 854 H GLU 113 H GLU 113 2.036 1.829 -9.594 855 HA GLU 113 HA GLU 113 2.974 0.989 -12.241 856 HB2 GLU 113 HB2 GLU 113 1.136 2.666 -12.514 857 HB3 GLU 113 HB3 GLU 113 2.113 3.820 -11.614 858 HG2 GLU 113 HG2 GLU 113 3.830 3.747 -13.312 859 HG3 GLU 113 HG3 GLU 113 2.942 2.505 -14.192 860 H LYS 114 H LYS 114 5.097 0.846 -12.162 861 HA LYS 114 HA LYS 114 6.530 2.193 -10.035 862 HB2 LYS 114 HB2 LYS 114 6.978 -0.186 -10.531 863 HB3 LYS 114 HB3 LYS 114 7.549 0.272 -12.130 864 HG2 LYS 114 HG2 LYS 114 9.429 1.403 -11.235 865 HG3 LYS 114 HG3 LYS 114 8.792 1.290 -9.590 866 HD2 LYS 114 HD2 LYS 114 9.039 -1.123 -9.639 867 HD3 LYS 114 HD3 LYS 114 9.594 -1.054 -11.313 868 HE2 LYS 114 HE2 LYS 114 11.583 0.104 -10.672 869 HE3 LYS 114 HE3 LYS 114 10.996 0.308 -9.020 870 HZ1 LYS 114 HZ1 LYS 114 11.151 -2.029 -8.656 871 HZ2 LYS 114 HZ2 LYS 114 12.639 -1.509 -9.287 872 HZ3 LYS 114 HZ3 LYS 114 11.532 -2.328 -10.283 873 H VAL 115 H VAL 115 6.336 4.305 -10.706 874 HA VAL 115 HA VAL 115 7.987 5.042 -13.024 875 HB VAL 115 HB VAL 115 5.717 5.804 -13.359 876 HG11 VAL 115 HG11 VAL 115 5.941 7.109 -10.655 877 HG12 VAL 115 HG12 VAL 115 4.902 5.750 -11.088 878 HG13 VAL 115 HG13 VAL 115 4.612 7.344 -11.790 879 HG21 VAL 115 HG21 VAL 115 7.456 8.113 -12.496 880 HG22 VAL 115 HG22 VAL 115 6.044 8.222 -13.545 881 HG23 VAL 115 HG23 VAL 115 7.473 7.338 -14.079 882 H LYS 116 H LYS 116 9.733 6.335 -12.682 883 HA LYS 116 HA LYS 116 10.025 7.463 -9.984 884 HB2 LYS 116 HB2 LYS 116 11.405 5.413 -10.213 885 HB3 LYS 116 HB3 LYS 116 12.253 6.162 -11.558 886 HG2 LYS 116 HG2 LYS 116 13.454 6.256 -9.370 887 HG3 LYS 116 HG3 LYS 116 13.201 7.823 -10.143 888 HD2 LYS 116 HD2 LYS 116 11.288 8.245 -8.687 889 HD3 LYS 116 HD3 LYS 116 11.502 6.664 -7.933 890 HE2 LYS 116 HE2 LYS 116 13.656 8.759 -7.947 891 HE3 LYS 116 HE3 LYS 116 12.435 8.666 -6.680 892 HZ1 LYS 116 HZ1 LYS 116 13.185 6.491 -6.093 893 HZ2 LYS 116 HZ2 LYS 116 14.534 7.515 -6.137 894 HZ3 LYS 116 HZ3 LYS 116 14.256 6.431 -7.408 895 H ALA 117 H ALA 117 9.442 9.457 -10.637 896 HA ALA 117 HA ALA 117 11.398 10.861 -12.330 897 HB1 ALA 117 HB1 ALA 117 8.471 11.523 -11.969 898 HB2 ALA 117 HB2 ALA 117 9.192 10.801 -13.407 899 HB3 ALA 117 HB3 ALA 117 9.628 12.442 -12.930 900 H HIS 118 H HIS 118 11.099 13.395 -11.687 901 HA HIS 118 HA HIS 118 11.842 13.417 -8.873 902 HB2 HIS 118 HB2 HIS 118 12.955 14.667 -10.946 903 HB3 HIS 118 HB3 HIS 118 11.791 15.913 -10.503 904 HD1 HIS 118 HD1 HIS 118 14.754 14.033 -9.137 905 HD2 HIS 118 HD2 HIS 118 12.449 17.381 -8.241 906 HE1 HIS 118 HE1 HIS 118 15.965 15.213 -7.278 907 HE2 HIS 118 HE2 HIS 118 14.621 17.300 -6.825 908 H SER 119 H SER 119 9.082 12.997 -9.680 909 HA SER 119 HA SER 119 7.671 15.435 -8.947 910 HB2 SER 119 HB2 SER 119 6.903 14.027 -10.858 911 HB3 SER 119 HB3 SER 119 6.596 12.707 -9.731 912 HG SER 119 HG SER 119 5.291 14.648 -8.689 913 H GLY 120 H GLY 120 9.322 14.016 -6.980 914 HA2 GLY 120 HA2 GLY 120 7.715 12.484 -5.224 915 HA3 GLY 120 HA3 GLY 120 9.262 13.225 -4.838 916 H ASN 121 H ASN 121 5.985 13.284 -4.303 917 HA ASN 121 HA ASN 121 5.717 16.052 -3.588 918 HB2 ASN 121 HB2 ASN 121 3.954 13.637 -3.344 919 HB3 ASN 121 HB3 ASN 121 3.549 15.119 -2.481 920 HD21 ASN 121 HD21 ASN 121 2.926 16.930 -3.638 921 HD22 ASN 121 HD22 ASN 121 2.454 16.847 -5.307 922 H GLU 122 H GLU 122 4.528 16.269 -1.285 923 HA GLU 122 HA GLU 122 6.729 15.904 0.540 924 HB2 GLU 122 HB2 GLU 122 5.380 17.289 2.080 925 HB3 GLU 122 HB3 GLU 122 5.608 18.047 0.515 926 HG2 GLU 122 HG2 GLU 122 3.120 16.529 1.252 927 HG3 GLU 122 HG3 GLU 122 3.319 18.255 1.539 928 H PHE 123 H PHE 123 3.582 14.532 0.016 929 HA PHE 123 HA PHE 123 3.185 13.422 2.580 930 HB2 PHE 123 HB2 PHE 123 2.101 12.471 -0.078 931 HB3 PHE 123 HB3 PHE 123 1.496 11.991 1.504 932 HD1 PHE 123 HD1 PHE 123 1.140 14.289 3.037 933 HD2 PHE 123 HD2 PHE 123 0.692 13.883 -1.173 934 HE1 PHE 123 HE1 PHE 123 -0.411 16.198 3.022 935 HE2 PHE 123 HE2 PHE 123 -0.857 15.794 -1.199 936 HZ PHE 123 HZ PHE 123 -1.409 16.953 0.900 937 H ASN 124 H ASN 124 4.597 12.057 -0.381 938 HA ASN 124 HA ASN 124 4.991 9.494 0.847 939 HB2 ASN 124 HB2 ASN 124 6.124 8.871 -1.230 940 HB3 ASN 124 HB3 ASN 124 4.584 9.655 -1.563 941 HD21 ASN 124 HD21 ASN 124 7.991 9.776 -1.943 942 HD22 ASN 124 HD22 ASN 124 8.046 11.206 -2.919 943 H ASP 125 H ASP 125 6.957 12.360 0.314 944 HA ASP 125 HA ASP 125 9.467 11.243 0.939 945 HB2 ASP 125 HB2 ASP 125 9.236 13.466 -0.080 946 HB3 ASP 125 HB3 ASP 125 8.480 14.069 1.390 947 H TYR 126 H TYR 126 6.975 12.708 2.955 948 HA TYR 126 HA TYR 126 8.389 12.725 5.376 949 HB2 TYR 126 HB2 TYR 126 6.323 14.009 4.961 950 HB3 TYR 126 HB3 TYR 126 5.405 12.509 4.916 951 HD1 TYR 126 HD2 TYR 126 7.531 14.599 7.144 952 HD2 TYR 126 HD1 TYR 126 4.521 11.605 6.880 953 HE1 TYR 126 HE2 TYR 126 7.183 14.744 9.574 954 HE2 TYR 126 HE1 TYR 126 4.164 11.740 9.310 955 HH TYR 126 HH TYR 126 5.488 14.257 11.221 956 H VAL 127 H VAL 127 6.186 10.304 3.992 957 HA VAL 127 HA VAL 127 6.421 8.593 6.285 958 HB VAL 127 HB VAL 127 4.397 8.758 4.750 959 HG11 VAL 127 HG11 VAL 127 5.493 8.562 2.610 960 HG12 VAL 127 HG12 VAL 127 4.348 7.238 2.823 961 HG13 VAL 127 HG13 VAL 127 6.077 6.951 3.025 962 HG21 VAL 127 HG21 VAL 127 3.810 6.396 5.060 963 HG22 VAL 127 HG22 VAL 127 4.581 7.081 6.491 964 HG23 VAL 127 HG23 VAL 127 5.500 6.032 5.412 965 H ASP 128 H ASP 128 8.107 8.976 3.279 966 HA ASP 128 HA ASP 128 9.372 6.453 3.147 967 HB2 ASP 128 HB2 ASP 128 9.435 7.845 1.211 968 HB3 ASP 128 HB3 ASP 128 10.151 9.180 2.106 969 H MET 129 H MET 129 10.187 9.460 4.808 970 HA MET 129 HA MET 129 12.664 8.627 5.873 971 HB2 MET 129 HB2 MET 129 10.629 10.513 7.090 972 HB3 MET 129 HB3 MET 129 12.294 10.334 7.623 973 HG2 MET 129 HG2 MET 129 13.028 11.074 5.370 974 HG3 MET 129 HG3 MET 129 11.338 11.395 4.981 975 HE1 MET 129 HE1 MET 129 10.289 12.440 7.851 976 HE2 MET 129 HE2 MET 129 9.839 13.183 6.315 977 HE3 MET 129 HE3 MET 129 10.460 14.183 7.628 978 H LYS 130 H LYS 130 9.358 8.370 7.068 979 HA LYS 130 HA LYS 130 9.828 7.286 9.582 980 HB2 LYS 130 HB2 LYS 130 7.531 6.771 7.683 981 HB3 LYS 130 HB3 LYS 130 7.531 6.347 9.385 982 HG2 LYS 130 HG2 LYS 130 7.783 9.144 8.304 983 HG3 LYS 130 HG3 LYS 130 6.292 8.412 8.901 984 HD2 LYS 130 HD2 LYS 130 7.492 8.025 11.084 985 HD3 LYS 130 HD3 LYS 130 8.793 9.040 10.454 986 HE2 LYS 130 HE2 LYS 130 7.226 10.887 10.176 987 HE3 LYS 130 HE3 LYS 130 5.912 9.872 10.766 988 HZ1 LYS 130 HZ1 LYS 130 7.267 9.646 12.867 989 HZ2 LYS 130 HZ2 LYS 130 6.593 11.168 12.576 990 HZ3 LYS 130 HZ3 LYS 130 8.238 10.908 12.280 991 H ALA 131 H ALA 131 9.295 5.596 6.496 992 HA ALA 131 HA ALA 131 9.403 3.001 7.614 993 HB1 ALA 131 HB1 ALA 131 9.893 3.840 4.761 994 HB2 ALA 131 HB2 ALA 131 8.320 3.491 5.475 995 HB3 ALA 131 HB3 ALA 131 9.520 2.211 5.321 996 H LYS 132 H LYS 132 11.849 4.877 5.815 997 HA LYS 132 HA LYS 132 13.752 2.784 5.839 998 HB2 LYS 132 HB2 LYS 132 14.185 5.731 5.412 999 HB3 LYS 132 HB3 LYS 132 15.352 4.462 5.064 1000 HG2 LYS 132 HG2 LYS 132 13.405 3.489 3.604 1001 HG3 LYS 132 HG3 LYS 132 12.832 5.158 3.639 1002 HD2 LYS 132 HD2 LYS 132 15.480 4.145 2.633 1003 HD3 LYS 132 HD3 LYS 132 14.183 4.888 1.693 1004 HE2 LYS 132 HE2 LYS 132 15.762 6.254 3.864 1005 HE3 LYS 132 HE3 LYS 132 16.056 6.419 2.141 1006 HZ1 LYS 132 HZ1 LYS 132 14.776 8.270 2.788 1007 HZ2 LYS 132 HZ2 LYS 132 13.683 7.318 3.660 1008 HZ3 LYS 132 HZ3 LYS 132 13.701 7.242 1.972 1009 H SER 133 H SER 133 13.067 5.374 8.099 1010 HA SER 133 HA SER 133 15.490 5.254 9.538 1011 HB2 SER 133 HB2 SER 133 13.728 7.066 9.699 1012 HB3 SER 133 HB3 SER 133 12.783 5.956 10.691 1013 HG SER 133 HG SER 133 14.143 6.214 12.318 1014 H ALA 134 H ALA 134 12.605 3.305 9.562 1015 HA ALA 134 HA ALA 134 13.159 1.984 12.043 1016 HB1 ALA 134 HB1 ALA 134 11.324 0.501 11.434 1017 HB2 ALA 134 HB2 ALA 134 11.302 1.177 9.805 1018 HB3 ALA 134 HB3 ALA 134 10.878 2.188 11.188 1019 H LEU 135 H LEU 135 14.595 1.781 9.028 1020 HA LEU 135 HA LEU 135 15.265 -1.051 9.312 1021 HB2 LEU 135 HB2 LEU 135 15.470 0.916 7.090 1022 HB3 LEU 135 HB3 LEU 135 16.623 -0.403 7.129 1023 HG LEU 135 HG LEU 135 14.851 -1.076 5.703 1024 HD11 LEU 135 HD11 LEU 135 13.945 -3.040 6.851 1025 HD12 LEU 135 HD12 LEU 135 14.490 -2.378 8.394 1026 HD13 LEU 135 HD13 LEU 135 15.667 -2.824 7.160 1027 HD21 LEU 135 HD21 LEU 135 12.507 -1.131 6.423 1028 HD22 LEU 135 HD22 LEU 135 13.157 0.507 6.376 1029 HD23 LEU 135 HD23 LEU 135 12.963 -0.320 7.922 1030 H GLY 136 H GLY 136 16.357 1.784 10.514 1031 HA2 GLY 136 HA2 GLY 136 18.263 2.022 11.842 1032 HA3 GLY 136 HA3 GLY 136 18.929 0.584 11.091 1033 H ILE 137 H ILE 137 17.673 3.120 9.087 1034 HA ILE 137 HA ILE 137 20.066 3.450 7.667 1035 HB ILE 137 HB ILE 137 17.869 4.038 6.719 1036 HG12 ILE 137 HG12 ILE 137 19.810 6.358 6.814 1037 HG13 ILE 137 HG13 ILE 137 19.908 4.980 5.724 1038 HG21 ILE 137 HG21 ILE 137 17.974 6.387 8.602 1039 HG22 ILE 137 HG22 ILE 137 16.844 5.035 8.681 1040 HG23 ILE 137 HG23 ILE 137 16.787 6.155 7.320 1041 HD11 ILE 137 HD11 ILE 137 17.707 7.030 5.783 1042 HD12 ILE 137 HD12 ILE 137 17.814 5.659 4.680 1043 HD13 ILE 137 HD13 ILE 137 19.019 6.946 4.609 1044 H ARG 138 H ARG 138 21.756 4.797 7.861 1045 HA ARG 138 HA ARG 138 23.263 6.213 8.803 1046 HB2 ARG 138 HB2 ARG 138 21.276 7.815 8.404 1047 HB3 ARG 138 HB3 ARG 138 20.979 7.667 10.130 1048 HG2 ARG 138 HG2 ARG 138 23.154 8.588 10.625 1049 HG3 ARG 138 HG3 ARG 138 23.554 8.637 8.905 1050 HD2 ARG 138 HD2 ARG 138 21.546 10.138 8.607 1051 HD3 ARG 138 HD3 ARG 138 21.462 10.237 10.365 1052 HE ARG 138 HE ARG 138 23.912 11.049 10.082 1053 HH11 ARG 138 HH11 ARG 138 21.223 11.767 7.946 1054 HH12 ARG 138 HH12 ARG 138 21.900 13.267 7.397 1055 HH21 ARG 138 HH21 ARG 138 24.794 13.033 9.344 1056 HH22 ARG 138 HH22 ARG 138 23.910 13.979 8.187 1057 H ASP 139 H ASP 139 23.221 3.959 10.005 1058 HA ASP 139 HA ASP 139 22.337 3.826 12.684 1059 HB2 ASP 139 HB2 ASP 139 22.690 1.825 11.342 1060 HB3 ASP 139 HB3 ASP 139 24.410 2.179 11.221 1061 H LEU 140 H LEU 140 23.655 3.624 14.611 1062 HA LEU 140 HA LEU 140 25.583 5.803 14.667 1063 HB2 LEU 140 HB2 LEU 140 24.087 4.319 16.810 1064 HB3 LEU 140 HB3 LEU 140 25.367 5.451 17.184 1065 HG LEU 140 HG LEU 140 23.297 6.568 17.467 1066 HD11 LEU 140 HD11 LEU 140 25.050 7.910 16.499 1067 HD12 LEU 140 HD12 LEU 140 23.483 8.411 15.861 1068 HD13 LEU 140 HD13 LEU 140 24.563 7.423 14.878 1069 HD21 LEU 140 HD21 LEU 140 21.851 5.134 16.147 1070 HD22 LEU 140 HD22 LEU 140 22.585 5.735 14.661 1071 HD23 LEU 140 HD23 LEU 140 21.640 6.821 15.678 1072 H GLU 141 H GLU 141 25.682 2.418 14.564 1073 HA GLU 141 HA GLU 141 28.309 2.401 15.904 1074 HB2 GLU 141 HB2 GLU 141 26.585 0.842 16.790 1075 HB3 GLU 141 HB3 GLU 141 26.547 0.042 15.225 1076 HG2 GLU 141 HG2 GLU 141 27.916 -1.157 16.870 1077 HG3 GLU 141 HG3 GLU 141 28.847 -0.634 15.465 1078 H HIS 142 H HIS 142 26.598 1.439 12.985 1079 HA HIS 142 HA HIS 142 28.839 0.282 11.679 1080 HB2 HIS 142 HB2 HIS 142 26.519 -0.190 11.024 1081 HB3 HIS 142 HB3 HIS 142 26.308 1.481 10.524 1082 HD1 HIS 142 HD1 HIS 142 28.392 -1.563 9.564 1083 HD2 HIS 142 HD2 HIS 142 26.862 1.932 7.906 1084 HE1 HIS 142 HE1 HIS 142 28.889 -1.700 7.107 1085 HE2 HIS 142 HE2 HIS 142 27.696 0.275 6.104 1086 H HIS 143 H HIS 143 30.640 1.500 11.539 1087 HA HIS 143 HA HIS 143 30.373 4.230 10.454 1088 HB2 HIS 143 HB2 HIS 143 32.365 3.106 12.423 1089 HB3 HIS 143 HB3 HIS 143 32.588 4.649 11.613 1090 HD1 HIS 143 HD1 HIS 143 31.547 3.417 14.713 1091 HD2 HIS 143 HD2 HIS 143 30.007 6.279 12.110 1092 HE1 HIS 143 HE1 HIS 143 30.097 4.913 16.122 1093 HE2 HIS 143 HE2 HIS 143 29.074 6.560 14.508 1094 H HIS 144 H HIS 144 32.317 5.018 9.331 1095 HA HIS 144 HA HIS 144 34.416 3.277 8.561 1096 HB2 HIS 144 HB2 HIS 144 32.613 2.445 7.023 1097 HB3 HIS 144 HB3 HIS 144 32.528 4.058 6.321 1098 HD1 HIS 144 HD1 HIS 144 34.153 4.585 4.486 1099 HD2 HIS 144 HD2 HIS 144 35.173 1.142 6.588 1100 HE1 HIS 144 HE1 HIS 144 36.077 3.564 3.230 1101 HE2 HIS 144 HE2 HIS 144 36.795 1.589 4.618 1102 H HIS 145 H HIS 145 35.959 4.745 8.885 1103 HA HIS 145 HA HIS 145 35.599 7.396 7.637 1104 HB2 HIS 145 HB2 HIS 145 36.959 8.374 9.440 1105 HB3 HIS 145 HB3 HIS 145 35.506 7.613 10.072 1106 HD1 HIS 145 HD1 HIS 145 39.175 7.567 10.316 1107 HD2 HIS 145 HD2 HIS 145 36.002 5.156 11.492 1108 HE1 HIS 145 HE1 HIS 145 40.126 5.990 12.028 1109 HE2 HIS 145 HE2 HIS 145 38.218 4.455 12.636 1110 H HIS 146 H HIS 146 37.466 8.406 6.785 1111 HA HIS 146 HA HIS 146 39.711 6.563 6.272 1112 HB2 HIS 146 HB2 HIS 146 38.304 6.550 4.291 1113 HB3 HIS 146 HB3 HIS 146 38.281 8.309 4.254 1114 HD1 HIS 146 HD1 HIS 146 40.168 9.465 3.049 1115 HD2 HIS 146 HD2 HIS 146 40.823 5.394 3.563 1116 HE1 HIS 146 HE1 HIS 146 42.239 8.945 1.724 1117 HE2 HIS 146 HE2 HIS 146 42.494 6.441 1.885 1118 H HIS 147 H HIS 147 41.578 7.411 6.869 1119 HA HIS 147 HA HIS 147 41.916 10.332 6.676 1120 HB2 HIS 147 HB2 HIS 147 41.755 9.466 9.052 1121 HB3 HIS 147 HB3 HIS 147 43.229 8.556 8.749 1122 HD1 HIS 147 HD1 HIS 147 42.062 11.746 9.967 1123 HD2 HIS 147 HD2 HIS 147 45.489 10.352 8.064 1124 HE1 HIS 147 HE1 HIS 147 43.826 13.490 10.371 1125 HE2 HIS 147 HE2 HIS 147 45.832 12.712 9.064 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -18.992 17.588 0.965 2 H2 MET 1 H2 MET 1 -18.012 16.596 1.936 3 H3 MET 1 H3 MET 1 -19.071 15.901 0.807 4 HA MET 1 HA MET 1 -17.837 16.743 -1.013 5 HB2 MET 1 HB2 MET 1 -17.204 18.877 0.083 6 HB3 MET 1 HB3 MET 1 -16.039 18.006 1.068 7 HG2 MET 1 HG2 MET 1 -14.819 17.362 -0.950 8 HG3 MET 1 HG3 MET 1 -15.985 18.252 -1.930 9 HE1 MET 1 HE1 MET 1 -14.000 19.597 -3.067 10 HE2 MET 1 HE2 MET 1 -12.821 18.729 -2.084 11 HE3 MET 1 HE3 MET 1 -12.774 20.490 -2.166 12 H ASP 2 H ASP 2 -17.661 14.492 -1.163 13 HA ASP 2 HA ASP 2 -15.452 13.264 0.335 14 HB2 ASP 2 HB2 ASP 2 -17.968 12.123 -0.847 15 HB3 ASP 2 HB3 ASP 2 -16.590 11.089 -0.488 16 H ASP 3 H ASP 3 -13.684 13.559 -0.843 17 HA ASP 3 HA ASP 3 -12.106 13.184 -2.412 18 HB2 ASP 3 HB2 ASP 3 -13.909 10.904 -3.247 19 HB3 ASP 3 HB3 ASP 3 -12.211 11.082 -3.662 20 H ARG 4 H ARG 4 -12.601 15.190 -3.463 21 HA ARG 4 HA ARG 4 -14.095 14.884 -5.964 22 HB2 ARG 4 HB2 ARG 4 -13.600 17.218 -4.192 23 HB3 ARG 4 HB3 ARG 4 -13.820 17.506 -5.913 24 HG2 ARG 4 HG2 ARG 4 -15.960 16.159 -5.715 25 HG3 ARG 4 HG3 ARG 4 -15.762 16.306 -3.966 26 HD2 ARG 4 HD2 ARG 4 -15.928 18.659 -4.047 27 HD3 ARG 4 HD3 ARG 4 -15.728 18.685 -5.800 28 HE ARG 4 HE ARG 4 -18.146 17.861 -4.336 29 HH11 ARG 4 HH11 ARG 4 -16.522 18.655 -7.334 30 HH12 ARG 4 HH12 ARG 4 -17.993 18.810 -8.248 31 HH21 ARG 4 HH21 ARG 4 -20.100 18.077 -5.539 32 HH22 ARG 4 HH22 ARG 4 -20.020 18.458 -7.236 33 H THR 5 H THR 5 -10.970 15.212 -4.759 34 HA THR 5 HA THR 5 -10.002 16.148 -7.371 35 HB THR 5 HB THR 5 -7.775 16.373 -6.253 36 HG1 THR 5 HG1 THR 5 -9.328 15.682 -3.956 37 HG21 THR 5 HG21 THR 5 -10.060 17.916 -5.024 38 HG22 THR 5 HG22 THR 5 -9.212 18.315 -6.517 39 HG23 THR 5 HG23 THR 5 -8.366 18.396 -4.972 40 H GLU 6 H GLU 6 -8.347 15.001 -8.475 41 HA GLU 6 HA GLU 6 -8.840 12.248 -8.622 42 HB2 GLU 6 HB2 GLU 6 -6.884 12.202 -10.164 43 HB3 GLU 6 HB3 GLU 6 -8.078 13.429 -10.558 44 HG2 GLU 6 HG2 GLU 6 -6.450 14.886 -9.018 45 HG3 GLU 6 HG3 GLU 6 -5.291 13.716 -9.647 46 H TYR 7 H TYR 7 -7.321 10.474 -8.305 47 HA TYR 7 HA TYR 7 -6.056 10.877 -5.683 48 HB2 TYR 7 HB2 TYR 7 -6.902 8.202 -6.748 49 HB3 TYR 7 HB3 TYR 7 -6.742 8.728 -5.077 50 HD1 TYR 7 HD2 TYR 7 -8.402 10.743 -4.447 51 HD2 TYR 7 HD1 TYR 7 -9.029 7.933 -7.572 52 HE1 TYR 7 HE2 TYR 7 -10.817 11.196 -4.364 53 HE2 TYR 7 HE1 TYR 7 -11.443 8.379 -7.498 54 HH TYR 7 HH TYR 7 -12.795 11.001 -5.794 55 H ASP 8 H ASP 8 -3.947 10.601 -5.504 56 HA ASP 8 HA ASP 8 -2.536 9.005 -7.536 57 HB2 ASP 8 HB2 ASP 8 -1.500 11.297 -5.846 58 HB3 ASP 8 HB3 ASP 8 -0.500 10.304 -6.894 59 H VAL 9 H VAL 9 -2.707 7.037 -6.494 60 HA VAL 9 HA VAL 9 -1.864 6.847 -3.682 61 HB VAL 9 HB VAL 9 -3.102 4.713 -5.435 62 HG11 VAL 9 HG11 VAL 9 -2.690 4.834 -2.450 63 HG12 VAL 9 HG12 VAL 9 -1.798 3.816 -3.581 64 HG13 VAL 9 HG13 VAL 9 -3.522 3.550 -3.326 65 HG21 VAL 9 HG21 VAL 9 -5.179 5.153 -4.226 66 HG22 VAL 9 HG22 VAL 9 -4.641 6.581 -5.110 67 HG23 VAL 9 HG23 VAL 9 -4.400 6.482 -3.366 68 H TYR 10 H TYR 10 0.235 6.418 -3.346 69 HA TYR 10 HA TYR 10 1.503 4.397 -5.012 70 HB2 TYR 10 HB2 TYR 10 3.593 6.101 -4.826 71 HB3 TYR 10 HB3 TYR 10 2.527 5.989 -6.219 72 HD1 TYR 10 HD1 TYR 10 2.571 7.774 -2.906 73 HD2 TYR 10 HD2 TYR 10 1.812 7.959 -7.086 74 HE1 TYR 10 HE1 TYR 10 2.001 10.160 -2.696 75 HE2 TYR 10 HE2 TYR 10 1.242 10.336 -6.886 76 HH TYR 10 HH TYR 10 0.399 11.866 -5.101 77 H THR 11 H THR 11 2.122 2.910 -3.659 78 HA THR 11 HA THR 11 3.250 3.554 -1.073 79 HB THR 11 HB THR 11 3.623 1.016 -1.022 80 HG1 THR 11 HG1 THR 11 2.833 -0.167 -2.660 81 HG21 THR 11 HG21 THR 11 1.743 2.063 0.118 82 HG22 THR 11 HG22 THR 11 1.238 0.545 -0.624 83 HG23 THR 11 HG23 THR 11 0.820 2.079 -1.385 84 H ASP 12 H ASP 12 5.169 4.632 -1.435 85 HA ASP 12 HA ASP 12 7.219 3.187 -2.979 86 HB2 ASP 12 HB2 ASP 12 6.120 5.154 -4.201 87 HB3 ASP 12 HB3 ASP 12 6.922 6.191 -3.027 88 H GLY 13 H GLY 13 8.769 2.639 -1.601 89 HA2 GLY 13 HA2 GLY 13 9.940 4.663 0.135 90 HA3 GLY 13 HA3 GLY 13 9.258 3.255 0.939 91 H SER 14 H SER 14 12.071 4.249 0.675 92 HA SER 14 HA SER 14 13.303 2.249 -1.044 93 HB2 SER 14 HB2 SER 14 14.736 4.274 0.664 94 HB3 SER 14 HB3 SER 14 15.299 3.494 -0.816 95 HG SER 14 HG SER 14 13.287 5.472 -0.521 96 H TYR 15 H TYR 15 14.109 0.387 -0.346 97 HA TYR 15 HA TYR 15 14.310 -0.324 2.417 98 HB2 TYR 15 HB2 TYR 15 15.345 -2.384 1.604 99 HB3 TYR 15 HB3 TYR 15 13.926 -2.004 0.635 100 HD1 TYR 15 HD1 TYR 15 14.198 -1.161 -1.677 101 HD2 TYR 15 HD2 TYR 15 17.531 -2.436 0.637 102 HE1 TYR 15 HE1 TYR 15 15.557 -1.297 -3.720 103 HE2 TYR 15 HE2 TYR 15 18.899 -2.575 -1.399 104 HH TYR 15 HH TYR 15 18.622 -2.819 -3.788 105 H VAL 16 H VAL 16 16.361 -0.782 3.543 106 HA VAL 16 HA VAL 16 18.751 0.400 2.440 107 HB VAL 16 HB VAL 16 17.456 2.361 3.291 108 HG11 VAL 16 HG11 VAL 16 17.318 2.729 5.709 109 HG12 VAL 16 HG12 VAL 16 17.928 1.096 5.982 110 HG13 VAL 16 HG13 VAL 16 16.368 1.333 5.194 111 HG21 VAL 16 HG21 VAL 16 19.324 3.399 4.483 112 HG22 VAL 16 HG22 VAL 16 19.874 2.479 3.081 113 HG23 VAL 16 HG23 VAL 16 20.061 1.812 4.702 114 H ASN 17 H ASN 17 20.632 0.047 3.717 115 HA ASN 17 HA ASN 17 22.049 -1.181 4.985 116 HB2 ASN 17 HB2 ASN 17 19.666 -1.442 6.836 117 HB3 ASN 17 HB3 ASN 17 21.300 -1.955 7.235 118 HD21 ASN 17 HD21 ASN 17 19.118 0.654 7.014 119 HD22 ASN 17 HD22 ASN 17 20.187 1.894 7.567 120 H GLY 18 H GLY 18 20.364 -2.380 2.910 121 HA2 GLY 18 HA2 GLY 18 20.194 -4.475 1.966 122 HA3 GLY 18 HA3 GLY 18 21.115 -5.098 3.326 123 H GLN 19 H GLN 19 18.445 -3.409 4.453 124 HA GLN 19 HA GLN 19 16.979 -5.934 4.809 125 HB2 GLN 19 HB2 GLN 19 16.823 -3.408 6.467 126 HB3 GLN 19 HB3 GLN 19 15.965 -4.910 6.788 127 HG2 GLN 19 HG2 GLN 19 18.200 -6.024 6.992 128 HG3 GLN 19 HG3 GLN 19 18.924 -4.419 6.925 129 HE21 GLN 19 HE21 GLN 19 18.597 -2.992 8.648 130 HE22 GLN 19 HE22 GLN 19 18.063 -3.544 10.194 131 H TYR 20 H TYR 20 14.681 -5.910 4.638 132 HA TYR 20 HA TYR 20 13.775 -3.849 2.730 133 HB2 TYR 20 HB2 TYR 20 12.521 -6.563 3.177 134 HB3 TYR 20 HB3 TYR 20 12.246 -5.458 1.838 135 HD1 TYR 20 HD1 TYR 20 14.053 -5.147 0.120 136 HD2 TYR 20 HD2 TYR 20 14.275 -8.135 3.140 137 HE1 TYR 20 HE1 TYR 20 15.749 -6.349 -1.198 138 HE2 TYR 20 HE2 TYR 20 15.968 -9.342 1.833 139 HH TYR 20 HH TYR 20 17.508 -7.976 -0.907 140 H ALA 21 H ALA 21 12.016 -2.666 3.148 141 HA ALA 21 HA ALA 21 10.187 -3.508 5.270 142 HB1 ALA 21 HB1 ALA 21 10.057 -1.258 6.176 143 HB2 ALA 21 HB2 ALA 21 11.248 -0.693 5.003 144 HB3 ALA 21 HB3 ALA 21 11.720 -1.844 6.255 145 H TRP 22 H TRP 22 8.101 -3.314 4.665 146 HA TRP 22 HA TRP 22 7.601 -2.089 2.074 147 HB2 TRP 22 HB2 TRP 22 5.353 -3.132 2.240 148 HB3 TRP 22 HB3 TRP 22 6.658 -4.302 2.350 149 HD1 TRP 22 HD1 TRP 22 7.286 -4.872 5.142 150 HE1 TRP 22 HE1 TRP 22 5.579 -5.483 6.966 151 HE3 TRP 22 HE3 TRP 22 3.066 -2.977 2.959 152 HZ2 TRP 22 HZ2 TRP 22 2.806 -5.214 7.411 153 HZ3 TRP 22 HZ3 TRP 22 0.923 -3.202 4.153 154 HH2 TRP 22 HH2 TRP 22 0.799 -4.298 6.332 155 H ALA 23 H ALA 23 6.619 -0.216 1.822 156 HA ALA 23 HA ALA 23 5.642 1.148 4.241 157 HB1 ALA 23 HB1 ALA 23 7.793 2.043 3.454 158 HB2 ALA 23 HB2 ALA 23 6.497 3.229 3.304 159 HB3 ALA 23 HB3 ALA 23 7.073 2.368 1.878 160 H TYR 24 H TYR 24 3.687 2.173 4.098 161 HA TYR 24 HA TYR 24 2.448 2.317 1.461 162 HB2 TYR 24 HB2 TYR 24 0.339 1.330 2.392 163 HB3 TYR 24 HB3 TYR 24 1.677 0.197 2.259 164 HD1 TYR 24 HD2 TYR 24 2.898 -0.508 4.322 165 HD2 TYR 24 HD1 TYR 24 -0.657 1.823 4.503 166 HE1 TYR 24 HE2 TYR 24 2.621 -1.124 6.684 167 HE2 TYR 24 HE1 TYR 24 -0.943 1.209 6.868 168 HH TYR 24 HH TYR 24 -0.260 -0.594 8.404 169 H ALA 25 H ALA 25 1.180 3.963 1.121 170 HA ALA 25 HA ALA 25 -0.100 5.391 3.283 171 HB1 ALA 25 HB1 ALA 25 1.781 6.803 1.384 172 HB2 ALA 25 HB2 ALA 25 2.071 6.532 3.103 173 HB3 ALA 25 HB3 ALA 25 0.746 7.576 2.584 174 H PHE 26 H PHE 26 -2.102 5.044 2.517 175 HA PHE 26 HA PHE 26 -2.627 5.261 -0.341 176 HB2 PHE 26 HB2 PHE 26 -4.561 4.649 1.910 177 HB3 PHE 26 HB3 PHE 26 -4.861 4.450 0.189 178 HD1 PHE 26 HD1 PHE 26 -3.418 2.774 -1.078 179 HD2 PHE 26 HD2 PHE 26 -3.664 2.910 3.167 180 HE1 PHE 26 HE1 PHE 26 -2.577 0.462 -0.959 181 HE2 PHE 26 HE2 PHE 26 -2.818 0.605 3.296 182 HZ PHE 26 HZ PHE 26 -2.272 -0.621 1.230 183 H VAL 27 H VAL 27 -2.539 7.337 -0.911 184 HA VAL 27 HA VAL 27 -4.173 9.240 0.605 185 HB VAL 27 HB VAL 27 -1.924 9.981 0.631 186 HG11 VAL 27 HG11 VAL 27 -0.558 10.287 -1.379 187 HG12 VAL 27 HG12 VAL 27 -1.843 9.571 -2.351 188 HG13 VAL 27 HG13 VAL 27 -1.012 8.600 -1.138 189 HG21 VAL 27 HG21 VAL 27 -3.357 11.496 -1.542 190 HG22 VAL 27 HG22 VAL 27 -1.998 12.095 -0.589 191 HG23 VAL 27 HG23 VAL 27 -3.539 11.743 0.194 192 H LYS 28 H LYS 28 -6.089 9.487 -0.263 193 HA LYS 28 HA LYS 28 -6.245 9.919 -3.171 194 HB2 LYS 28 HB2 LYS 28 -8.466 8.950 -3.209 195 HB3 LYS 28 HB3 LYS 28 -7.343 7.784 -2.532 196 HG2 LYS 28 HG2 LYS 28 -8.148 8.190 -0.318 197 HG3 LYS 28 HG3 LYS 28 -9.142 9.538 -0.876 198 HD2 LYS 28 HD2 LYS 28 -9.494 6.603 -1.488 199 HD3 LYS 28 HD3 LYS 28 -10.582 7.651 -0.575 200 HE2 LYS 28 HE2 LYS 28 -10.702 9.029 -2.764 201 HE3 LYS 28 HE3 LYS 28 -10.058 7.577 -3.527 202 HZ1 LYS 28 HZ1 LYS 28 -12.412 7.511 -3.676 203 HZ2 LYS 28 HZ2 LYS 28 -12.606 7.859 -2.030 204 HZ3 LYS 28 HZ3 LYS 28 -11.969 6.357 -2.516 205 H ASP 29 H ASP 29 -7.281 11.752 -3.809 206 HA ASP 29 HA ASP 29 -8.188 13.832 -3.688 207 HB2 ASP 29 HB2 ASP 29 -10.145 12.619 -2.771 208 HB3 ASP 29 HB3 ASP 29 -9.482 12.791 -1.152 209 H GLY 30 H GLY 30 -5.669 13.001 -2.257 210 HA2 GLY 30 HA2 GLY 30 -4.007 14.243 -1.215 211 HA3 GLY 30 HA3 GLY 30 -5.189 15.503 -0.894 212 H LYS 31 H LYS 31 -6.487 12.623 0.068 213 HA LYS 31 HA LYS 31 -5.784 13.192 2.864 214 HB2 LYS 31 HB2 LYS 31 -8.075 11.477 1.950 215 HB3 LYS 31 HB3 LYS 31 -7.872 12.302 3.485 216 HG2 LYS 31 HG2 LYS 31 -8.329 13.667 0.845 217 HG3 LYS 31 HG3 LYS 31 -9.570 13.339 2.054 218 HD2 LYS 31 HD2 LYS 31 -8.466 14.766 3.647 219 HD3 LYS 31 HD3 LYS 31 -7.102 14.997 2.549 220 HE2 LYS 31 HE2 LYS 31 -8.772 16.886 2.627 221 HE3 LYS 31 HE3 LYS 31 -8.426 16.238 1.024 222 HZ1 LYS 31 HZ1 LYS 31 -10.726 15.269 2.611 223 HZ2 LYS 31 HZ2 LYS 31 -10.470 15.159 0.934 224 HZ3 LYS 31 HZ3 LYS 31 -10.846 16.651 1.637 225 H VAL 32 H VAL 32 -4.591 11.796 3.929 226 HA VAL 32 HA VAL 32 -3.909 9.251 2.681 227 HB VAL 32 HB VAL 32 -2.771 10.442 5.218 228 HG11 VAL 32 HG11 VAL 32 -2.419 8.040 4.990 229 HG12 VAL 32 HG12 VAL 32 -0.900 8.915 4.802 230 HG13 VAL 32 HG13 VAL 32 -1.735 8.282 3.383 231 HG21 VAL 32 HG21 VAL 32 -1.731 10.645 2.393 232 HG22 VAL 32 HG22 VAL 32 -0.891 11.199 3.842 233 HG23 VAL 32 HG23 VAL 32 -2.403 11.964 3.353 234 H HIS 33 H HIS 33 -5.258 7.638 3.085 235 HA HIS 33 HA HIS 33 -6.964 7.617 5.395 236 HB2 HIS 33 HB2 HIS 33 -7.535 6.754 3.058 237 HB3 HIS 33 HB3 HIS 33 -6.560 5.345 3.449 238 HD1 HIS 33 HD1 HIS 33 -8.643 3.802 3.276 239 HD2 HIS 33 HD2 HIS 33 -8.939 6.740 6.206 240 HE1 HIS 33 HE1 HIS 33 -10.639 3.176 4.661 241 HE2 HIS 33 HE2 HIS 33 -10.910 5.058 6.309 242 H TYR 34 H TYR 34 -3.983 6.078 4.459 243 HA TYR 34 HA TYR 34 -3.573 5.178 7.188 244 HB2 TYR 34 HB2 TYR 34 -4.045 3.335 4.944 245 HB3 TYR 34 HB3 TYR 34 -2.593 2.991 5.866 246 HD1 TYR 34 HD1 TYR 34 -6.261 3.124 5.964 247 HD2 TYR 34 HD2 TYR 34 -2.726 2.218 8.149 248 HE1 TYR 34 HE1 TYR 34 -7.609 1.957 7.654 249 HE2 TYR 34 HE2 TYR 34 -4.067 1.048 9.842 250 HH TYR 34 HH TYR 34 -7.361 0.267 9.345 251 H GLU 35 H GLU 35 -1.462 5.196 7.760 252 HA GLU 35 HA GLU 35 0.603 5.389 5.722 253 HB2 GLU 35 HB2 GLU 35 1.566 7.431 6.843 254 HB3 GLU 35 HB3 GLU 35 0.074 7.704 5.956 255 HG2 GLU 35 HG2 GLU 35 -1.149 7.513 8.134 256 HG3 GLU 35 HG3 GLU 35 0.420 7.496 8.934 257 H ASP 36 H ASP 36 2.122 4.006 6.294 258 HA ASP 36 HA ASP 36 3.488 4.047 8.748 259 HB2 ASP 36 HB2 ASP 36 1.188 2.869 9.305 260 HB3 ASP 36 HB3 ASP 36 1.946 1.482 8.532 261 H ALA 37 H ALA 37 4.861 1.937 8.930 262 HA ALA 37 HA ALA 37 5.402 0.593 6.444 263 HB1 ALA 37 HB1 ALA 37 6.581 2.704 6.058 264 HB2 ALA 37 HB2 ALA 37 7.711 1.361 6.225 265 HB3 ALA 37 HB3 ALA 37 7.473 2.482 7.565 266 H ASP 38 H ASP 38 6.292 -1.359 6.851 267 HA ASP 38 HA ASP 38 7.485 -1.837 9.495 268 HB2 ASP 38 HB2 ASP 38 5.103 -2.526 9.579 269 HB3 ASP 38 HB3 ASP 38 5.374 -3.595 8.208 270 H VAL 39 H VAL 39 8.692 -3.959 9.519 271 HA VAL 39 HA VAL 39 10.280 -4.088 7.110 272 HB VAL 39 HB VAL 39 11.736 -5.592 8.398 273 HG11 VAL 39 HG11 VAL 39 10.954 -3.103 9.903 274 HG12 VAL 39 HG12 VAL 39 12.064 -3.177 8.534 275 HG13 VAL 39 HG13 VAL 39 12.484 -3.965 10.055 276 HG21 VAL 39 HG21 VAL 39 10.070 -6.730 9.746 277 HG22 VAL 39 HG22 VAL 39 9.707 -5.230 10.596 278 HG23 VAL 39 HG23 VAL 39 11.286 -5.988 10.783 279 H GLY 40 H GLY 40 11.108 -6.456 6.607 280 HA2 GLY 40 HA2 GLY 40 9.028 -7.899 5.421 281 HA3 GLY 40 HA3 GLY 40 10.644 -8.523 5.724 282 H LYS 41 H LYS 41 7.811 -9.653 6.015 283 HA LYS 41 HA LYS 41 8.029 -10.426 8.839 284 HB2 LYS 41 HB2 LYS 41 5.462 -10.408 7.261 285 HB3 LYS 41 HB3 LYS 41 5.667 -10.507 9.004 286 HG2 LYS 41 HG2 LYS 41 6.700 -8.171 8.825 287 HG3 LYS 41 HG3 LYS 41 5.984 -8.128 7.213 288 HD2 LYS 41 HD2 LYS 41 4.422 -7.100 8.654 289 HD3 LYS 41 HD3 LYS 41 3.786 -8.714 8.328 290 HE2 LYS 41 HE2 LYS 41 3.587 -8.130 10.698 291 HE3 LYS 41 HE3 LYS 41 4.666 -9.505 10.451 292 HZ1 LYS 41 HZ1 LYS 41 5.441 -7.731 12.049 293 HZ2 LYS 41 HZ2 LYS 41 5.679 -6.727 10.695 294 HZ3 LYS 41 HZ3 LYS 41 6.545 -8.179 10.844 295 H ASN 42 H ASN 42 6.486 -12.489 9.060 296 HA ASN 42 HA ASN 42 7.558 -14.439 7.134 297 HB2 ASN 42 HB2 ASN 42 6.909 -14.724 10.071 298 HB3 ASN 42 HB3 ASN 42 7.205 -16.107 9.024 299 HD21 ASN 42 HD21 ASN 42 9.037 -16.816 9.951 300 HD22 ASN 42 HD22 ASN 42 10.525 -15.925 9.959 301 HA PRO 43 HA PRO 43 3.544 -15.522 5.754 302 HB2 PRO 43 HB2 PRO 43 4.319 -18.371 5.916 303 HB3 PRO 43 HB3 PRO 43 3.824 -17.416 4.513 304 HG2 PRO 43 HG2 PRO 43 6.372 -18.157 4.853 305 HG3 PRO 43 HG3 PRO 43 5.956 -16.571 4.175 306 HD2 PRO 43 HD2 PRO 43 6.847 -17.274 6.945 307 HD3 PRO 43 HD3 PRO 43 7.303 -15.889 5.931 308 H ALA 44 H ALA 44 4.805 -17.196 8.552 309 HA ALA 44 HA ALA 44 2.531 -18.615 9.338 310 HB1 ALA 44 HB1 ALA 44 4.685 -17.432 11.084 311 HB2 ALA 44 HB2 ALA 44 4.749 -19.001 10.280 312 HB3 ALA 44 HB3 ALA 44 3.557 -18.707 11.546 313 H ALA 45 H ALA 45 3.463 -15.270 9.915 314 HA ALA 45 HA ALA 45 1.051 -14.856 11.523 315 HB1 ALA 45 HB1 ALA 45 3.339 -12.965 10.987 316 HB2 ALA 45 HB2 ALA 45 3.180 -14.000 12.403 317 HB3 ALA 45 HB3 ALA 45 2.012 -12.708 12.122 318 H ALA 46 H ALA 46 1.823 -14.853 8.350 319 HA ALA 46 HA ALA 46 0.605 -12.342 7.586 320 HB1 ALA 46 HB1 ALA 46 1.062 -13.041 5.303 321 HB2 ALA 46 HB2 ALA 46 1.525 -14.643 5.873 322 HB3 ALA 46 HB3 ALA 46 2.493 -13.235 6.314 323 H THR 47 H THR 47 -0.279 -15.719 7.746 324 HA THR 47 HA THR 47 -2.562 -15.696 6.142 325 HB THR 47 HB THR 47 -2.140 -17.390 8.610 326 HG1 THR 47 HG1 THR 47 -0.672 -18.481 7.517 327 HG21 THR 47 HG21 THR 47 -4.379 -17.541 7.608 328 HG22 THR 47 HG22 THR 47 -3.476 -19.042 7.409 329 HG23 THR 47 HG23 THR 47 -3.652 -17.933 6.050 330 H MET 48 H MET 48 -2.135 -14.838 9.540 331 HA MET 48 HA MET 48 -4.832 -13.738 9.571 332 HB2 MET 48 HB2 MET 48 -3.765 -15.680 11.625 333 HB3 MET 48 HB3 MET 48 -5.171 -14.657 11.898 334 HG2 MET 48 HG2 MET 48 -6.307 -15.724 10.013 335 HG3 MET 48 HG3 MET 48 -4.896 -16.746 9.744 336 HE1 MET 48 HE1 MET 48 -4.075 -18.607 11.458 337 HE2 MET 48 HE2 MET 48 -4.854 -18.923 13.008 338 HE3 MET 48 HE3 MET 48 -4.005 -17.400 12.741 339 H ARG 49 H ARG 49 -4.002 -11.711 9.552 340 HA ARG 49 HA ARG 49 -2.821 -10.810 12.062 341 HB2 ARG 49 HB2 ARG 49 -1.194 -9.381 10.822 342 HB3 ARG 49 HB3 ARG 49 -0.878 -11.106 10.689 343 HG2 ARG 49 HG2 ARG 49 -1.983 -11.081 8.466 344 HG3 ARG 49 HG3 ARG 49 -2.129 -9.327 8.604 345 HD2 ARG 49 HD2 ARG 49 0.299 -9.133 8.791 346 HD3 ARG 49 HD3 ARG 49 0.453 -10.886 8.677 347 HE ARG 49 HE ARG 49 -0.926 -10.063 6.418 348 HH11 ARG 49 HH11 ARG 49 2.231 -9.592 7.837 349 HH12 ARG 49 HH12 ARG 49 3.026 -9.306 6.316 350 HH21 ARG 49 HH21 ARG 49 0.111 -9.697 4.392 351 HH22 ARG 49 HH22 ARG 49 1.821 -9.379 4.369 352 H ASN 50 H ASN 50 -2.918 -8.431 12.303 353 HA ASN 50 HA ASN 50 -5.542 -7.526 11.705 354 HB2 ASN 50 HB2 ASN 50 -4.222 -6.931 13.757 355 HB3 ASN 50 HB3 ASN 50 -3.242 -5.869 12.753 356 HD21 ASN 50 HD21 ASN 50 -6.725 -6.379 12.449 357 HD22 ASN 50 HD22 ASN 50 -7.169 -4.763 12.890 358 H VAL 51 H VAL 51 -2.600 -7.320 9.991 359 HA VAL 51 HA VAL 51 -2.851 -5.027 8.469 360 HB VAL 51 HB VAL 51 -1.911 -7.754 7.545 361 HG11 VAL 51 HG11 VAL 51 -2.460 -6.338 5.634 362 HG12 VAL 51 HG12 VAL 51 -0.718 -6.576 5.768 363 HG13 VAL 51 HG13 VAL 51 -1.443 -5.052 6.283 364 HG21 VAL 51 HG21 VAL 51 0.332 -6.860 7.978 365 HG22 VAL 51 HG22 VAL 51 -0.655 -6.895 9.438 366 HG23 VAL 51 HG23 VAL 51 -0.387 -5.371 8.593 367 H ALA 52 H ALA 52 -4.703 -7.981 8.338 368 HA ALA 52 HA ALA 52 -5.948 -7.721 5.852 369 HB1 ALA 52 HB1 ALA 52 -6.120 -9.729 7.243 370 HB2 ALA 52 HB2 ALA 52 -7.710 -9.137 6.763 371 HB3 ALA 52 HB3 ALA 52 -7.119 -8.843 8.398 372 H GLY 53 H GLY 53 -6.577 -6.101 8.904 373 HA2 GLY 53 HA2 GLY 53 -9.025 -4.863 8.062 374 HA3 GLY 53 HA3 GLY 53 -8.055 -4.416 9.458 375 H GLU 54 H GLU 54 -5.629 -3.995 7.996 376 HA GLU 54 HA GLU 54 -5.993 -1.263 7.339 377 HB2 GLU 54 HB2 GLU 54 -3.606 -3.036 6.793 378 HB3 GLU 54 HB3 GLU 54 -3.612 -1.277 6.822 379 HG2 GLU 54 HG2 GLU 54 -4.209 -1.331 9.202 380 HG3 GLU 54 HG3 GLU 54 -4.160 -3.092 9.161 381 H ILE 55 H ILE 55 -5.361 -4.156 5.376 382 HA ILE 55 HA ILE 55 -5.361 -2.757 2.906 383 HB ILE 55 HB ILE 55 -5.705 -5.020 1.893 384 HG12 ILE 55 HG12 ILE 55 -5.541 -5.917 4.772 385 HG13 ILE 55 HG13 ILE 55 -6.945 -6.065 3.721 386 HG21 ILE 55 HG21 ILE 55 -3.449 -4.726 3.868 387 HG22 ILE 55 HG22 ILE 55 -3.489 -4.075 2.230 388 HG23 ILE 55 HG23 ILE 55 -3.465 -5.820 2.484 389 HD11 ILE 55 HD11 ILE 55 -5.701 -7.589 2.280 390 HD12 ILE 55 HD12 ILE 55 -5.778 -8.177 3.941 391 HD13 ILE 55 HD13 ILE 55 -4.296 -7.437 3.333 392 H ALA 56 H ALA 56 -7.859 -4.203 4.880 393 HA ALA 56 HA ALA 56 -9.972 -4.150 3.023 394 HB1 ALA 56 HB1 ALA 56 -10.133 -5.311 5.166 395 HB2 ALA 56 HB2 ALA 56 -11.457 -4.161 4.964 396 HB3 ALA 56 HB3 ALA 56 -10.095 -3.767 6.015 397 H ALA 57 H ALA 57 -8.418 -1.638 4.858 398 HA ALA 57 HA ALA 57 -10.432 0.350 4.480 399 HB1 ALA 57 HB1 ALA 57 -8.792 0.520 6.276 400 HB2 ALA 57 HB2 ALA 57 -8.713 1.927 5.212 401 HB3 ALA 57 HB3 ALA 57 -7.496 0.657 5.087 402 H ALA 58 H ALA 58 -7.789 -0.874 2.589 403 HA ALA 58 HA ALA 58 -7.842 1.241 0.642 404 HB1 ALA 58 HB1 ALA 58 -6.402 -0.205 -0.685 405 HB2 ALA 58 HB2 ALA 58 -6.721 -1.552 0.406 406 HB3 ALA 58 HB3 ALA 58 -5.832 -0.143 0.984 407 H LEU 59 H LEU 59 -9.243 -1.957 1.033 408 HA LEU 59 HA LEU 59 -10.583 -2.282 -1.368 409 HB2 LEU 59 HB2 LEU 59 -10.598 -4.051 0.225 410 HB3 LEU 59 HB3 LEU 59 -11.328 -3.038 1.452 411 HG LEU 59 HG LEU 59 -13.422 -2.990 0.089 412 HD11 LEU 59 HD11 LEU 59 -13.697 -4.641 -1.688 413 HD12 LEU 59 HD12 LEU 59 -11.995 -5.083 -1.545 414 HD13 LEU 59 HD13 LEU 59 -12.442 -3.469 -2.092 415 HD21 LEU 59 HD21 LEU 59 -13.145 -4.530 1.965 416 HD22 LEU 59 HD22 LEU 59 -12.426 -5.724 0.884 417 HD23 LEU 59 HD23 LEU 59 -14.113 -5.252 0.681 418 H TYR 60 H TYR 60 -11.705 -0.620 1.568 419 HA TYR 60 HA TYR 60 -14.166 0.242 0.532 420 HB2 TYR 60 HB2 TYR 60 -13.629 0.260 2.941 421 HB3 TYR 60 HB3 TYR 60 -12.481 1.568 2.667 422 HD1 TYR 60 HD2 TYR 60 -16.070 0.677 2.501 423 HD2 TYR 60 HD1 TYR 60 -13.206 3.824 2.566 424 HE1 TYR 60 HE2 TYR 60 -17.882 2.314 2.768 425 HE2 TYR 60 HE1 TYR 60 -15.014 5.469 2.832 426 HH TYR 60 HH TYR 60 -18.165 4.617 3.670 427 H ALA 61 H ALA 61 -10.952 1.679 0.433 428 HA ALA 61 HA ALA 61 -11.695 4.225 -0.509 429 HB1 ALA 61 HB1 ALA 61 -9.363 4.469 -1.187 430 HB2 ALA 61 HB2 ALA 61 -9.109 2.739 -0.964 431 HB3 ALA 61 HB3 ALA 61 -9.484 3.761 0.424 432 H VAL 62 H VAL 62 -10.846 1.240 -2.202 433 HA VAL 62 HA VAL 62 -11.075 2.338 -4.824 434 HB VAL 62 HB VAL 62 -11.249 -0.553 -3.942 435 HG11 VAL 62 HG11 VAL 62 -12.178 -0.216 -6.168 436 HG12 VAL 62 HG12 VAL 62 -10.645 -1.080 -6.258 437 HG13 VAL 62 HG13 VAL 62 -10.716 0.633 -6.667 438 HG21 VAL 62 HG21 VAL 62 -8.880 -0.662 -4.620 439 HG22 VAL 62 HG22 VAL 62 -9.147 0.433 -3.264 440 HG23 VAL 62 HG23 VAL 62 -8.895 1.082 -4.885 441 H LYS 63 H LYS 63 -13.221 0.439 -2.740 442 HA LYS 63 HA LYS 63 -15.365 0.184 -4.518 443 HB2 LYS 63 HB2 LYS 63 -15.295 -1.165 -2.553 444 HB3 LYS 63 HB3 LYS 63 -15.242 0.240 -1.505 445 HG2 LYS 63 HG2 LYS 63 -17.610 0.054 -3.233 446 HG3 LYS 63 HG3 LYS 63 -17.464 -1.204 -2.003 447 HD2 LYS 63 HD2 LYS 63 -17.258 0.481 -0.265 448 HD3 LYS 63 HD3 LYS 63 -17.302 1.766 -1.473 449 HE2 LYS 63 HE2 LYS 63 -19.563 1.201 -2.060 450 HE3 LYS 63 HE3 LYS 63 -19.525 -0.212 -1.006 451 HZ1 LYS 63 HZ1 LYS 63 -19.193 2.574 -0.037 452 HZ2 LYS 63 HZ2 LYS 63 -19.403 1.174 0.903 453 HZ3 LYS 63 HZ3 LYS 63 -20.676 1.753 -0.059 454 H LYS 64 H LYS 64 -14.553 2.770 -2.257 455 HA LYS 64 HA LYS 64 -16.918 4.274 -2.640 456 HB2 LYS 64 HB2 LYS 64 -15.337 4.559 -0.735 457 HB3 LYS 64 HB3 LYS 64 -14.182 5.277 -1.847 458 HG2 LYS 64 HG2 LYS 64 -15.623 7.143 -2.252 459 HG3 LYS 64 HG3 LYS 64 -16.930 6.392 -1.335 460 HD2 LYS 64 HD2 LYS 64 -15.571 6.514 0.697 461 HD3 LYS 64 HD3 LYS 64 -14.264 7.263 -0.220 462 HE2 LYS 64 HE2 LYS 64 -15.653 9.183 -0.705 463 HE3 LYS 64 HE3 LYS 64 -17.032 8.422 0.088 464 HZ1 LYS 64 HZ1 LYS 64 -15.960 10.053 1.525 465 HZ2 LYS 64 HZ2 LYS 64 -14.492 9.202 1.422 466 HZ3 LYS 64 HZ3 LYS 64 -15.835 8.491 2.177 467 H ALA 65 H ALA 65 -13.886 4.075 -4.394 468 HA ALA 65 HA ALA 65 -14.410 6.334 -6.075 469 HB1 ALA 65 HB1 ALA 65 -12.137 5.516 -5.721 470 HB2 ALA 65 HB2 ALA 65 -12.557 5.500 -7.432 471 HB3 ALA 65 HB3 ALA 65 -12.551 3.995 -6.512 472 H SER 66 H SER 66 -15.074 2.907 -6.178 473 HA SER 66 HA SER 66 -15.810 2.563 -8.833 474 HB2 SER 66 HB2 SER 66 -15.527 0.695 -7.266 475 HB3 SER 66 HB3 SER 66 -16.951 1.218 -6.368 476 HG SER 66 HG SER 66 -17.018 -0.511 -8.202 477 H GLN 67 H GLN 67 -17.897 3.387 -6.057 478 HA GLN 67 HA GLN 67 -20.256 3.556 -7.574 479 HB2 GLN 67 HB2 GLN 67 -21.129 4.755 -5.545 480 HB3 GLN 67 HB3 GLN 67 -20.464 3.163 -5.261 481 HG2 GLN 67 HG2 GLN 67 -18.367 4.228 -4.499 482 HG3 GLN 67 HG3 GLN 67 -19.145 5.798 -4.675 483 HE21 GLN 67 HE21 GLN 67 -20.818 2.941 -3.568 484 HE22 GLN 67 HE22 GLN 67 -21.061 3.476 -1.940 485 H LEU 68 H LEU 68 -17.852 5.962 -6.669 486 HA LEU 68 HA LEU 68 -19.269 8.191 -7.721 487 HB2 LEU 68 HB2 LEU 68 -16.469 7.656 -6.875 488 HB3 LEU 68 HB3 LEU 68 -16.741 9.030 -7.928 489 HG LEU 68 HG LEU 68 -18.290 9.997 -6.291 490 HD11 LEU 68 HD11 LEU 68 -18.494 9.037 -4.057 491 HD12 LEU 68 HD12 LEU 68 -17.573 7.626 -4.580 492 HD13 LEU 68 HD13 LEU 68 -19.152 7.963 -5.292 493 HD21 LEU 68 HD21 LEU 68 -15.922 10.567 -6.191 494 HD22 LEU 68 HD22 LEU 68 -15.637 9.214 -5.097 495 HD23 LEU 68 HD23 LEU 68 -16.647 10.565 -4.585 496 H GLY 69 H GLY 69 -17.336 5.691 -9.123 497 HA2 GLY 69 HA2 GLY 69 -17.510 5.073 -11.390 498 HA3 GLY 69 HA3 GLY 69 -18.056 6.699 -11.770 499 H VAL 70 H VAL 70 -15.370 6.654 -9.734 500 HA VAL 70 HA VAL 70 -13.671 7.420 -12.006 501 HB VAL 70 HB VAL 70 -12.328 8.694 -10.324 502 HG11 VAL 70 HG11 VAL 70 -13.966 9.827 -11.713 503 HG12 VAL 70 HG12 VAL 70 -13.940 10.540 -10.099 504 HG13 VAL 70 HG13 VAL 70 -15.242 9.442 -10.558 505 HG21 VAL 70 HG21 VAL 70 -12.988 7.443 -8.326 506 HG22 VAL 70 HG22 VAL 70 -14.637 8.051 -8.487 507 HG23 VAL 70 HG23 VAL 70 -13.317 9.166 -8.137 508 H LYS 71 H LYS 71 -11.263 7.149 -11.481 509 HA LYS 71 HA LYS 71 -10.821 4.544 -10.167 510 HB2 LYS 71 HB2 LYS 71 -9.484 5.578 -12.680 511 HB3 LYS 71 HB3 LYS 71 -9.068 4.086 -11.853 512 HG2 LYS 71 HG2 LYS 71 -10.374 3.426 -13.665 513 HG3 LYS 71 HG3 LYS 71 -11.472 3.369 -12.287 514 HD2 LYS 71 HD2 LYS 71 -12.442 5.481 -12.915 515 HD3 LYS 71 HD3 LYS 71 -11.263 5.682 -14.210 516 HE2 LYS 71 HE2 LYS 71 -13.303 3.470 -14.045 517 HE3 LYS 71 HE3 LYS 71 -13.466 4.928 -15.022 518 HZ1 LYS 71 HZ1 LYS 71 -12.667 3.198 -16.411 519 HZ2 LYS 71 HZ2 LYS 71 -11.442 2.783 -15.322 520 HZ3 LYS 71 HZ3 LYS 71 -11.371 4.260 -16.150 521 H ILE 72 H ILE 72 -8.354 4.262 -9.749 522 HA ILE 72 HA ILE 72 -7.307 6.844 -8.783 523 HB ILE 72 HB ILE 72 -5.918 5.569 -7.193 524 HG12 ILE 72 HG12 ILE 72 -6.899 3.131 -6.801 525 HG13 ILE 72 HG13 ILE 72 -7.220 3.236 -8.528 526 HG21 ILE 72 HG21 ILE 72 -7.736 4.905 -5.671 527 HG22 ILE 72 HG22 ILE 72 -8.877 5.038 -7.010 528 HG23 ILE 72 HG23 ILE 72 -8.019 6.468 -6.436 529 HD11 ILE 72 HD11 ILE 72 -4.533 3.555 -7.208 530 HD12 ILE 72 HD12 ILE 72 -4.850 3.652 -8.941 531 HD13 ILE 72 HD13 ILE 72 -5.104 2.133 -8.081 532 H ARG 73 H ARG 73 -4.952 7.143 -8.906 533 HA ARG 73 HA ARG 73 -3.753 5.569 -11.082 534 HB2 ARG 73 HB2 ARG 73 -4.509 7.864 -11.808 535 HB3 ARG 73 HB3 ARG 73 -3.331 8.535 -10.688 536 HG2 ARG 73 HG2 ARG 73 -1.524 7.772 -11.934 537 HG3 ARG 73 HG3 ARG 73 -2.502 6.591 -12.809 538 HD2 ARG 73 HD2 ARG 73 -2.651 9.591 -13.076 539 HD3 ARG 73 HD3 ARG 73 -1.946 8.473 -14.245 540 HE ARG 73 HE ARG 73 -4.703 7.913 -13.623 541 HH11 ARG 73 HH11 ARG 73 -2.525 9.719 -15.699 542 HH12 ARG 73 HH12 ARG 73 -3.728 9.991 -16.923 543 HH21 ARG 73 HH21 ARG 73 -6.292 8.301 -15.231 544 HH22 ARG 73 HH22 ARG 73 -5.851 9.202 -16.658 545 H ILE 74 H ILE 74 -1.583 5.089 -10.875 546 HA ILE 74 HA ILE 74 -0.448 5.648 -8.232 547 HB ILE 74 HB ILE 74 0.681 3.517 -8.338 548 HG12 ILE 74 HG12 ILE 74 0.885 3.390 -10.834 549 HG13 ILE 74 HG13 ILE 74 0.384 1.890 -10.071 550 HG21 ILE 74 HG21 ILE 74 -2.263 3.251 -8.869 551 HG22 ILE 74 HG22 ILE 74 -1.504 3.590 -7.313 552 HG23 ILE 74 HG23 ILE 74 -1.244 2.033 -8.102 553 HD11 ILE 74 HD11 ILE 74 -0.827 2.290 -12.134 554 HD12 ILE 74 HD12 ILE 74 -1.423 3.826 -11.506 555 HD13 ILE 74 HD13 ILE 74 -1.920 2.311 -10.752 556 H LEU 75 H LEU 75 1.598 6.348 -8.079 557 HA LEU 75 HA LEU 75 3.322 6.309 -10.450 558 HB2 LEU 75 HB2 LEU 75 2.743 8.732 -8.740 559 HB3 LEU 75 HB3 LEU 75 4.062 8.639 -9.888 560 HG LEU 75 HG LEU 75 1.144 8.400 -10.631 561 HD11 LEU 75 HD11 LEU 75 1.366 10.663 -11.506 562 HD12 LEU 75 HD12 LEU 75 3.017 10.750 -10.891 563 HD13 LEU 75 HD13 LEU 75 1.661 10.627 -9.769 564 HD21 LEU 75 HD21 LEU 75 1.964 8.712 -12.914 565 HD22 LEU 75 HD22 LEU 75 2.654 7.268 -12.178 566 HD23 LEU 75 HD23 LEU 75 3.625 8.733 -12.319 567 H HIS 76 H HIS 76 4.591 4.712 -9.521 568 HA HIS 76 HA HIS 76 6.506 5.458 -7.563 569 HB2 HIS 76 HB2 HIS 76 5.875 4.051 -5.722 570 HB3 HIS 76 HB3 HIS 76 4.473 5.036 -6.114 571 HD1 HIS 76 HD1 HIS 76 4.821 1.980 -4.804 572 HD2 HIS 76 HD2 HIS 76 3.140 3.130 -8.434 573 HE1 HIS 76 HE1 HIS 76 3.258 0.120 -5.449 574 HE2 HIS 76 HE2 HIS 76 2.466 0.727 -7.759 575 H ASP 77 H ASP 77 7.825 3.458 -6.898 576 HA ASP 77 HA ASP 77 8.149 1.717 -9.223 577 HB2 ASP 77 HB2 ASP 77 10.062 2.841 -7.860 578 HB3 ASP 77 HB3 ASP 77 9.768 1.570 -6.678 579 H TYR 78 H TYR 78 9.064 -0.606 -7.865 580 HA TYR 78 HA TYR 78 8.317 -2.570 -7.017 581 HB2 TYR 78 HB2 TYR 78 6.647 -0.799 -5.223 582 HB3 TYR 78 HB3 TYR 78 6.998 -2.502 -4.949 583 HD1 TYR 78 HD1 TYR 78 9.312 -3.204 -4.368 584 HD2 TYR 78 HD2 TYR 78 8.220 0.899 -4.668 585 HE1 TYR 78 HE1 TYR 78 11.331 -2.577 -3.109 586 HE2 TYR 78 HE2 TYR 78 10.235 1.535 -3.415 587 HH TYR 78 HH TYR 78 11.786 0.564 -1.839 588 H ALA 79 H ALA 79 7.308 -3.124 -8.996 589 HA ALA 79 HA ALA 79 4.406 -2.773 -9.136 590 HB1 ALA 79 HB1 ALA 79 4.570 -3.631 -11.391 591 HB2 ALA 79 HB2 ALA 79 6.269 -4.037 -11.144 592 HB3 ALA 79 HB3 ALA 79 5.759 -2.348 -11.157 593 H GLY 80 H GLY 80 6.861 -5.141 -8.511 594 HA2 GLY 80 HA2 GLY 80 5.375 -7.487 -9.018 595 HA3 GLY 80 HA3 GLY 80 6.799 -7.378 -7.996 596 H ILE 81 H ILE 81 5.296 -5.304 -6.350 597 HA ILE 81 HA ILE 81 4.404 -7.090 -4.343 598 HB ILE 81 HB ILE 81 5.353 -4.869 -3.840 599 HG12 ILE 81 HG12 ILE 81 2.525 -5.202 -2.812 600 HG13 ILE 81 HG13 ILE 81 3.942 -6.035 -2.180 601 HG21 ILE 81 HG21 ILE 81 4.351 -3.593 -5.644 602 HG22 ILE 81 HG22 ILE 81 3.989 -2.853 -4.086 603 HG23 ILE 81 HG23 ILE 81 2.753 -3.793 -4.922 604 HD11 ILE 81 HD11 ILE 81 4.897 -3.903 -1.501 605 HD12 ILE 81 HD12 ILE 81 3.312 -4.160 -0.775 606 HD13 ILE 81 HD13 ILE 81 3.488 -3.062 -2.143 607 H ALA 82 H ALA 82 2.851 -5.741 -7.062 608 HA ALA 82 HA ALA 82 0.185 -5.698 -5.974 609 HB1 ALA 82 HB1 ALA 82 -0.501 -5.073 -8.212 610 HB2 ALA 82 HB2 ALA 82 1.100 -5.466 -8.836 611 HB3 ALA 82 HB3 ALA 82 0.894 -4.121 -7.713 612 H PHE 83 H PHE 83 1.973 -8.276 -6.419 613 HA PHE 83 HA PHE 83 0.542 -9.854 -8.274 614 HB2 PHE 83 HB2 PHE 83 1.768 -11.733 -7.455 615 HB3 PHE 83 HB3 PHE 83 2.854 -10.353 -7.459 616 HD1 PHE 83 HD1 PHE 83 3.480 -9.275 -5.308 617 HD2 PHE 83 HD2 PHE 83 1.242 -12.886 -5.467 618 HE1 PHE 83 HE1 PHE 83 4.067 -9.735 -2.965 619 HE2 PHE 83 HE2 PHE 83 1.817 -13.352 -3.120 620 HZ PHE 83 HZ PHE 83 3.232 -11.773 -1.869 621 H TRP 84 H TRP 84 -0.120 -8.935 -5.033 622 HA TRP 84 HA TRP 84 -1.820 -11.031 -4.237 623 HB2 TRP 84 HB2 TRP 84 -1.809 -8.106 -3.478 624 HB3 TRP 84 HB3 TRP 84 -2.836 -9.305 -2.705 625 HD1 TRP 84 HD1 TRP 84 0.717 -7.997 -2.760 626 HE1 TRP 84 HE1 TRP 84 2.060 -9.122 -0.877 627 HE3 TRP 84 HE3 TRP 84 -2.672 -11.564 -1.357 628 HZ2 TRP 84 HZ2 TRP 84 1.727 -11.240 0.961 629 HZ3 TRP 84 HZ3 TRP 84 -2.082 -13.097 0.472 630 HH2 TRP 84 HH2 TRP 84 0.072 -12.939 1.608 631 H ALA 85 H ALA 85 -2.326 -8.292 -6.337 632 HA ALA 85 HA ALA 85 -5.222 -8.573 -6.217 633 HB1 ALA 85 HB1 ALA 85 -5.283 -6.538 -7.557 634 HB2 ALA 85 HB2 ALA 85 -3.527 -6.585 -7.727 635 HB3 ALA 85 HB3 ALA 85 -4.254 -6.333 -6.139 636 H THR 86 H THR 86 -2.903 -10.156 -7.856 637 HA THR 86 HA THR 86 -4.645 -10.489 -10.194 638 HB THR 86 HB THR 86 -2.900 -9.121 -11.025 639 HG1 THR 86 HG1 THR 86 -3.289 -11.530 -11.957 640 HG21 THR 86 HG21 THR 86 -0.927 -11.036 -9.782 641 HG22 THR 86 HG22 THR 86 -1.292 -9.409 -9.211 642 HG23 THR 86 HG23 THR 86 -0.523 -9.638 -10.781 643 H GLY 87 H GLY 87 -2.382 -11.943 -7.945 644 HA2 GLY 87 HA2 GLY 87 -2.039 -14.171 -7.433 645 HA3 GLY 87 HA3 GLY 87 -3.377 -14.568 -8.507 646 H GLU 88 H GLU 88 -0.755 -12.648 -9.628 647 HA GLU 88 HA GLU 88 -0.231 -14.280 -11.858 648 HB2 GLU 88 HB2 GLU 88 0.160 -11.842 -11.781 649 HB3 GLU 88 HB3 GLU 88 1.461 -12.094 -10.629 650 HG2 GLU 88 HG2 GLU 88 2.688 -13.377 -12.329 651 HG3 GLU 88 HG3 GLU 88 1.394 -13.045 -13.481 652 H TRP 89 H TRP 89 1.266 -13.988 -8.712 653 HA TRP 89 HA TRP 89 3.380 -15.859 -9.411 654 HB2 TRP 89 HB2 TRP 89 2.777 -14.306 -6.886 655 HB3 TRP 89 HB3 TRP 89 4.099 -15.459 -7.024 656 HD1 TRP 89 HD1 TRP 89 3.006 -12.531 -9.356 657 HE1 TRP 89 HE1 TRP 89 5.079 -11.072 -9.810 658 HE3 TRP 89 HE3 TRP 89 6.411 -15.065 -6.502 659 HZ2 TRP 89 HZ2 TRP 89 7.792 -11.007 -9.047 660 HZ3 TRP 89 HZ3 TRP 89 8.725 -14.233 -6.415 661 HH2 TRP 89 HH2 TRP 89 9.400 -12.246 -7.665 662 H LYS 90 H LYS 90 3.773 -17.682 -7.846 663 HA LYS 90 HA LYS 90 1.401 -19.263 -7.643 664 HB2 LYS 90 HB2 LYS 90 4.290 -19.696 -6.984 665 HB3 LYS 90 HB3 LYS 90 3.089 -20.814 -6.361 666 HG2 LYS 90 HG2 LYS 90 4.048 -21.691 -8.385 667 HG3 LYS 90 HG3 LYS 90 2.357 -21.282 -8.662 668 HD2 LYS 90 HD2 LYS 90 4.366 -19.199 -9.302 669 HD3 LYS 90 HD3 LYS 90 4.325 -20.616 -10.351 670 HE2 LYS 90 HE2 LYS 90 1.977 -18.835 -9.702 671 HE3 LYS 90 HE3 LYS 90 2.915 -18.796 -11.194 672 HZ1 LYS 90 HZ1 LYS 90 1.204 -21.012 -10.207 673 HZ2 LYS 90 HZ2 LYS 90 2.255 -21.151 -11.531 674 HZ3 LYS 90 HZ3 LYS 90 0.962 -20.056 -11.590 675 H ALA 91 H ALA 91 0.387 -20.026 -5.791 676 HA ALA 91 HA ALA 91 0.594 -18.145 -3.553 677 HB1 ALA 91 HB1 ALA 91 -1.599 -20.090 -4.240 678 HB2 ALA 91 HB2 ALA 91 -1.574 -18.379 -4.669 679 HB3 ALA 91 HB3 ALA 91 -1.646 -18.863 -2.975 680 H LYS 92 H LYS 92 0.263 -18.972 -1.356 681 HA LYS 92 HA LYS 92 1.750 -21.421 -0.912 682 HB2 LYS 92 HB2 LYS 92 1.792 -19.151 0.454 683 HB3 LYS 92 HB3 LYS 92 0.438 -19.891 1.295 684 HG2 LYS 92 HG2 LYS 92 2.423 -20.369 2.520 685 HG3 LYS 92 HG3 LYS 92 1.889 -21.867 1.748 686 HD2 LYS 92 HD2 LYS 92 3.506 -21.481 -0.067 687 HD3 LYS 92 HD3 LYS 92 4.061 -20.021 0.755 688 HE2 LYS 92 HE2 LYS 92 4.686 -21.416 2.701 689 HE3 LYS 92 HE3 LYS 92 4.233 -22.850 1.778 690 HZ1 LYS 92 HZ1 LYS 92 6.592 -22.507 1.625 691 HZ2 LYS 92 HZ2 LYS 92 6.375 -20.911 1.103 692 HZ3 LYS 92 HZ3 LYS 92 5.898 -22.197 0.105 693 H ASN 93 H ASN 93 0.618 -23.224 -1.256 694 HA ASN 93 HA ASN 93 -0.936 -24.861 -1.073 695 HB2 ASN 93 HB2 ASN 93 -1.912 -23.159 1.221 696 HB3 ASN 93 HB3 ASN 93 -2.679 -24.677 0.774 697 HD21 ASN 93 HD21 ASN 93 -1.685 -26.592 1.233 698 HD22 ASN 93 HD22 ASN 93 -0.274 -26.705 2.239 699 H GLU 94 H GLU 94 -2.887 -22.005 -0.291 700 HA GLU 94 HA GLU 94 -4.143 -21.851 -2.836 701 HB2 GLU 94 HB2 GLU 94 -6.433 -22.515 -2.065 702 HB3 GLU 94 HB3 GLU 94 -5.300 -23.851 -2.202 703 HG2 GLU 94 HG2 GLU 94 -4.962 -23.842 0.200 704 HG3 GLU 94 HG3 GLU 94 -6.053 -22.465 0.364 705 H PHE 95 H PHE 95 -3.682 -20.881 0.394 706 HA PHE 95 HA PHE 95 -5.747 -19.133 0.918 707 HB2 PHE 95 HB2 PHE 95 -4.139 -19.722 2.620 708 HB3 PHE 95 HB3 PHE 95 -2.834 -18.966 1.715 709 HD1 PHE 95 HD2 PHE 95 -6.067 -18.178 3.390 710 HD2 PHE 95 HD1 PHE 95 -2.234 -16.780 2.166 711 HE1 PHE 95 HE2 PHE 95 -6.451 -16.070 4.601 712 HE2 PHE 95 HE1 PHE 95 -2.611 -14.675 3.379 713 HZ PHE 95 HZ PHE 95 -4.718 -14.318 4.599 714 H THR 96 H THR 96 -2.637 -18.357 -0.641 715 HA THR 96 HA THR 96 -3.190 -15.625 -0.987 716 HB THR 96 HB THR 96 -1.389 -17.170 -2.832 717 HG1 THR 96 HG1 THR 96 -0.424 -16.238 -0.363 718 HG21 THR 96 HG21 THR 96 -1.161 -14.440 -1.550 719 HG22 THR 96 HG22 THR 96 -1.646 -14.758 -3.215 720 HG23 THR 96 HG23 THR 96 -0.012 -15.152 -2.684 721 H GLN 97 H GLN 97 -3.794 -18.428 -3.082 722 HA GLN 97 HA GLN 97 -4.465 -17.005 -5.412 723 HB2 GLN 97 HB2 GLN 97 -4.914 -19.772 -4.400 724 HB3 GLN 97 HB3 GLN 97 -5.839 -19.231 -5.786 725 HG2 GLN 97 HG2 GLN 97 -2.842 -19.245 -5.594 726 HG3 GLN 97 HG3 GLN 97 -3.821 -20.455 -6.421 727 HE21 GLN 97 HE21 GLN 97 -2.552 -17.238 -6.526 728 HE22 GLN 97 HE22 GLN 97 -2.980 -16.906 -8.166 729 H ALA 98 H ALA 98 -6.446 -18.332 -2.790 730 HA ALA 98 HA ALA 98 -8.956 -17.681 -3.828 731 HB1 ALA 98 HB1 ALA 98 -8.110 -17.862 -0.938 732 HB2 ALA 98 HB2 ALA 98 -8.649 -19.204 -1.946 733 HB3 ALA 98 HB3 ALA 98 -9.770 -17.907 -1.530 734 H TYR 99 H TYR 99 -6.775 -15.809 -1.741 735 HA TYR 99 HA TYR 99 -8.624 -13.643 -1.470 736 HB2 TYR 99 HB2 TYR 99 -6.712 -14.298 0.137 737 HB3 TYR 99 HB3 TYR 99 -5.663 -13.425 -0.976 738 HD1 TYR 99 HD2 TYR 99 -8.778 -12.995 1.019 739 HD2 TYR 99 HD1 TYR 99 -5.370 -11.128 -0.709 740 HE1 TYR 99 HE2 TYR 99 -9.392 -10.881 2.108 741 HE2 TYR 99 HE1 TYR 99 -5.977 -9.007 0.377 742 HH TYR 99 HH TYR 99 -8.307 -8.795 2.838 743 H ALA 100 H ALA 100 -5.921 -14.384 -3.579 744 HA ALA 100 HA ALA 100 -5.542 -11.858 -4.732 745 HB1 ALA 100 HB1 ALA 100 -4.464 -13.035 -6.571 746 HB2 ALA 100 HB2 ALA 100 -5.157 -14.559 -6.019 747 HB3 ALA 100 HB3 ALA 100 -3.972 -13.716 -5.022 748 H LYS 101 H LYS 101 -7.725 -14.500 -5.603 749 HA LYS 101 HA LYS 101 -8.721 -13.251 -7.949 750 HB2 LYS 101 HB2 LYS 101 -10.002 -15.376 -6.218 751 HB3 LYS 101 HB3 LYS 101 -10.507 -14.939 -7.846 752 HG2 LYS 101 HG2 LYS 101 -8.332 -15.657 -8.710 753 HG3 LYS 101 HG3 LYS 101 -7.839 -16.116 -7.079 754 HD2 LYS 101 HD2 LYS 101 -8.543 -18.106 -8.170 755 HD3 LYS 101 HD3 LYS 101 -9.823 -17.670 -7.038 756 HE2 LYS 101 HE2 LYS 101 -11.064 -16.621 -8.892 757 HE3 LYS 101 HE3 LYS 101 -9.801 -17.141 -10.007 758 HZ1 LYS 101 HZ1 LYS 101 -11.585 -18.891 -8.406 759 HZ2 LYS 101 HZ2 LYS 101 -10.286 -19.453 -9.336 760 HZ3 LYS 101 HZ3 LYS 101 -11.601 -18.690 -10.089 761 H LEU 102 H LEU 102 -9.550 -13.047 -4.566 762 HA LEU 102 HA LEU 102 -12.052 -11.744 -4.890 763 HB2 LEU 102 HB2 LEU 102 -10.101 -11.685 -2.585 764 HB3 LEU 102 HB3 LEU 102 -11.721 -11.019 -2.531 765 HG LEU 102 HG LEU 102 -11.043 -13.932 -2.945 766 HD11 LEU 102 HD11 LEU 102 -12.186 -12.488 -0.558 767 HD12 LEU 102 HD12 LEU 102 -10.572 -13.189 -0.676 768 HD13 LEU 102 HD13 LEU 102 -11.993 -14.234 -0.709 769 HD21 LEU 102 HD21 LEU 102 -13.091 -13.286 -4.098 770 HD22 LEU 102 HD22 LEU 102 -13.708 -12.560 -2.613 771 HD23 LEU 102 HD23 LEU 102 -13.445 -14.302 -2.701 772 H MET 103 H MET 103 -8.735 -10.575 -4.467 773 HA MET 103 HA MET 103 -9.444 -7.811 -4.618 774 HB2 MET 103 HB2 MET 103 -6.866 -9.330 -4.778 775 HB3 MET 103 HB3 MET 103 -6.907 -7.630 -5.222 776 HG2 MET 103 HG2 MET 103 -7.872 -7.138 -2.984 777 HG3 MET 103 HG3 MET 103 -7.619 -8.830 -2.559 778 HE1 MET 103 HE1 MET 103 -6.300 -7.656 -0.432 779 HE2 MET 103 HE2 MET 103 -6.414 -6.047 -1.145 780 HE3 MET 103 HE3 MET 103 -4.848 -6.675 -0.635 781 H ASN 104 H ASN 104 -8.428 -10.248 -6.917 782 HA ASN 104 HA ASN 104 -7.995 -8.581 -9.141 783 HB2 ASN 104 HB2 ASN 104 -7.318 -10.987 -8.910 784 HB3 ASN 104 HB3 ASN 104 -9.000 -11.433 -9.163 785 HD21 ASN 104 HD21 ASN 104 -6.165 -10.028 -10.609 786 HD22 ASN 104 HD22 ASN 104 -6.651 -10.254 -12.259 787 H GLN 105 H GLN 105 -10.885 -9.984 -7.779 788 HA GLN 105 HA GLN 105 -12.679 -9.788 -9.848 789 HB2 GLN 105 HB2 GLN 105 -12.844 -10.646 -7.370 790 HB3 GLN 105 HB3 GLN 105 -13.496 -9.043 -7.074 791 HG2 GLN 105 HG2 GLN 105 -14.613 -10.801 -9.216 792 HG3 GLN 105 HG3 GLN 105 -15.095 -10.971 -7.535 793 HE21 GLN 105 HE21 GLN 105 -14.961 -8.156 -6.922 794 HE22 GLN 105 HE22 GLN 105 -16.304 -7.408 -7.725 795 H TYR 106 H TYR 106 -11.817 -7.234 -7.494 796 HA TYR 106 HA TYR 106 -13.426 -5.370 -9.083 797 HB2 TYR 106 HB2 TYR 106 -13.464 -3.911 -7.156 798 HB3 TYR 106 HB3 TYR 106 -13.978 -5.519 -6.680 799 HD1 TYR 106 HD1 TYR 106 -12.143 -7.029 -5.593 800 HD2 TYR 106 HD2 TYR 106 -11.847 -2.798 -5.919 801 HE1 TYR 106 HE1 TYR 106 -10.503 -7.005 -3.761 802 HE2 TYR 106 HE2 TYR 106 -10.206 -2.767 -4.091 803 HH TYR 106 HH TYR 106 -8.614 -5.462 -2.995 804 H ARG 107 H ARG 107 -10.544 -6.390 -9.484 805 HA ARG 107 HA ARG 107 -8.908 -4.051 -9.284 806 HB2 ARG 107 HB2 ARG 107 -8.087 -6.459 -9.469 807 HB3 ARG 107 HB3 ARG 107 -8.484 -6.368 -11.180 808 HG2 ARG 107 HG2 ARG 107 -6.947 -4.416 -11.361 809 HG3 ARG 107 HG3 ARG 107 -6.465 -4.705 -9.690 810 HD2 ARG 107 HD2 ARG 107 -4.839 -5.734 -11.103 811 HD3 ARG 107 HD3 ARG 107 -5.798 -7.018 -10.369 812 HE ARG 107 HE ARG 107 -7.086 -6.686 -12.675 813 HH11 ARG 107 HH11 ARG 107 -3.648 -6.950 -12.013 814 HH12 ARG 107 HH12 ARG 107 -3.275 -7.623 -13.577 815 HH21 ARG 107 HH21 ARG 107 -6.603 -7.557 -14.708 816 HH22 ARG 107 HH22 ARG 107 -4.969 -7.997 -15.099 817 H GLY 108 H GLY 108 -8.204 -2.706 -11.031 818 HA2 GLY 108 HA2 GLY 108 -8.512 -2.168 -13.451 819 HA3 GLY 108 HA3 GLY 108 -10.217 -2.527 -13.194 820 H ILE 109 H ILE 109 -10.759 -1.314 -10.844 821 HA ILE 109 HA ILE 109 -10.705 1.495 -11.358 822 HB ILE 109 HB ILE 109 -11.245 0.126 -8.715 823 HG12 ILE 109 HG12 ILE 109 -13.269 0.814 -10.853 824 HG13 ILE 109 HG13 ILE 109 -12.597 -0.800 -10.632 825 HG21 ILE 109 HG21 ILE 109 -12.680 2.106 -8.318 826 HG22 ILE 109 HG22 ILE 109 -12.101 2.790 -9.837 827 HG23 ILE 109 HG23 ILE 109 -10.974 2.513 -8.509 828 HD11 ILE 109 HD11 ILE 109 -14.178 0.739 -8.589 829 HD12 ILE 109 HD12 ILE 109 -13.535 -0.892 -8.392 830 HD13 ILE 109 HD13 ILE 109 -14.786 -0.575 -9.596 831 H TYR 110 H TYR 110 -8.962 -0.720 -9.268 832 HA TYR 110 HA TYR 110 -6.865 1.315 -8.991 833 HB2 TYR 110 HB2 TYR 110 -6.203 0.371 -6.920 834 HB3 TYR 110 HB3 TYR 110 -7.957 0.452 -6.839 835 HD1 TYR 110 HD2 TYR 110 -9.235 -1.725 -7.480 836 HD2 TYR 110 HD1 TYR 110 -5.110 -1.615 -6.441 837 HE1 TYR 110 HE2 TYR 110 -9.307 -4.120 -6.942 838 HE2 TYR 110 HE1 TYR 110 -5.176 -4.013 -5.900 839 HH TYR 110 HH TYR 110 -7.883 -6.001 -6.696 840 H SER 111 H SER 111 -4.741 0.638 -9.354 841 HA SER 111 HA SER 111 -4.150 -2.014 -10.280 842 HB2 SER 111 HB2 SER 111 -3.399 -1.155 -12.554 843 HB3 SER 111 HB3 SER 111 -5.145 -1.225 -12.323 844 HG SER 111 HG SER 111 -3.736 1.139 -11.724 845 H PHE 112 H PHE 112 -1.779 -2.094 -10.964 846 HA PHE 112 HA PHE 112 -0.300 0.164 -9.796 847 HB2 PHE 112 HB2 PHE 112 0.222 -2.772 -9.318 848 HB3 PHE 112 HB3 PHE 112 1.377 -1.501 -8.929 849 HD1 PHE 112 HD2 PHE 112 0.971 0.040 -7.103 850 HD2 PHE 112 HD1 PHE 112 -1.783 -3.078 -8.008 851 HE1 PHE 112 HE2 PHE 112 -0.106 0.361 -4.914 852 HE2 PHE 112 HE1 PHE 112 -2.866 -2.759 -5.824 853 HZ PHE 112 HZ PHE 112 -2.029 -1.043 -4.272 854 H GLU 113 H GLU 113 1.402 0.848 -10.874 855 HA GLU 113 HA GLU 113 2.416 -0.693 -13.159 856 HB2 GLU 113 HB2 GLU 113 1.672 2.239 -13.046 857 HB3 GLU 113 HB3 GLU 113 2.713 1.570 -14.294 858 HG2 GLU 113 HG2 GLU 113 -0.088 0.615 -13.775 859 HG3 GLU 113 HG3 GLU 113 0.321 1.876 -14.938 860 H LYS 114 H LYS 114 4.653 -0.253 -13.639 861 HA LYS 114 HA LYS 114 6.072 0.845 -11.319 862 HB2 LYS 114 HB2 LYS 114 6.641 -1.450 -12.247 863 HB3 LYS 114 HB3 LYS 114 7.290 -0.627 -13.658 864 HG2 LYS 114 HG2 LYS 114 8.897 0.544 -12.253 865 HG3 LYS 114 HG3 LYS 114 8.232 -0.249 -10.825 866 HD2 LYS 114 HD2 LYS 114 8.855 -2.433 -11.791 867 HD3 LYS 114 HD3 LYS 114 9.588 -1.592 -13.160 868 HE2 LYS 114 HE2 LYS 114 11.100 -0.431 -11.596 869 HE3 LYS 114 HE3 LYS 114 10.398 -1.349 -10.264 870 HZ1 LYS 114 HZ1 LYS 114 12.440 -2.359 -10.979 871 HZ2 LYS 114 HZ2 LYS 114 11.888 -2.461 -12.579 872 HZ3 LYS 114 HZ3 LYS 114 11.150 -3.390 -11.367 873 H VAL 115 H VAL 115 5.441 2.979 -11.918 874 HA VAL 115 HA VAL 115 7.284 4.165 -13.857 875 HB VAL 115 HB VAL 115 5.148 4.023 -15.032 876 HG11 VAL 115 HG11 VAL 115 3.638 3.916 -13.129 877 HG12 VAL 115 HG12 VAL 115 3.159 5.206 -14.233 878 HG13 VAL 115 HG13 VAL 115 3.997 5.596 -12.731 879 HG21 VAL 115 HG21 VAL 115 6.541 5.963 -15.466 880 HG22 VAL 115 HG22 VAL 115 5.771 6.835 -14.141 881 HG23 VAL 115 HG23 VAL 115 4.834 6.394 -15.569 882 H LYS 116 H LYS 116 8.222 6.004 -13.141 883 HA LYS 116 HA LYS 116 7.988 6.548 -10.347 884 HB2 LYS 116 HB2 LYS 116 9.572 7.961 -12.496 885 HB3 LYS 116 HB3 LYS 116 9.732 8.255 -10.769 886 HG2 LYS 116 HG2 LYS 116 10.284 5.649 -12.171 887 HG3 LYS 116 HG3 LYS 116 11.492 6.792 -11.580 888 HD2 LYS 116 HD2 LYS 116 10.796 6.435 -9.306 889 HD3 LYS 116 HD3 LYS 116 9.443 5.433 -9.834 890 HE2 LYS 116 HE2 LYS 116 11.259 4.046 -9.016 891 HE3 LYS 116 HE3 LYS 116 11.015 3.795 -10.743 892 HZ1 LYS 116 HZ1 LYS 116 12.901 5.217 -11.198 893 HZ2 LYS 116 HZ2 LYS 116 13.366 3.963 -10.157 894 HZ3 LYS 116 HZ3 LYS 116 13.116 5.526 -9.546 895 H ALA 117 H ALA 117 7.371 8.442 -9.322 896 HA ALA 117 HA ALA 117 5.079 9.716 -10.417 897 HB1 ALA 117 HB1 ALA 117 5.359 9.283 -8.017 898 HB2 ALA 117 HB2 ALA 117 5.035 10.985 -8.348 899 HB3 ALA 117 HB3 ALA 117 6.674 10.460 -7.968 900 H HIS 118 H HIS 118 5.000 12.253 -9.987 901 HA HIS 118 HA HIS 118 6.226 13.595 -12.032 902 HB2 HIS 118 HB2 HIS 118 4.344 14.419 -10.573 903 HB3 HIS 118 HB3 HIS 118 5.538 14.823 -9.348 904 HD1 HIS 118 HD1 HIS 118 4.074 15.987 -12.544 905 HD2 HIS 118 HD2 HIS 118 7.144 17.082 -9.966 906 HE1 HIS 118 HE1 HIS 118 4.735 18.316 -13.227 907 HE2 HIS 118 HE2 HIS 118 6.398 19.043 -11.477 908 H SER 119 H SER 119 7.216 14.075 -8.638 909 HA SER 119 HA SER 119 9.977 13.542 -9.364 910 HB2 SER 119 HB2 SER 119 9.711 15.993 -9.695 911 HB3 SER 119 HB3 SER 119 9.174 16.140 -8.023 912 HG SER 119 HG SER 119 11.283 15.093 -7.518 913 H GLY 120 H GLY 120 7.623 12.596 -7.652 914 HA2 GLY 120 HA2 GLY 120 7.632 11.339 -5.672 915 HA3 GLY 120 HA3 GLY 120 9.140 12.123 -5.214 916 H ASN 121 H ASN 121 5.926 11.920 -4.495 917 HA ASN 121 HA ASN 121 5.488 14.701 -3.833 918 HB2 ASN 121 HB2 ASN 121 3.730 12.870 -4.523 919 HB3 ASN 121 HB3 ASN 121 3.779 12.453 -2.817 920 HD21 ASN 121 HD21 ASN 121 1.561 13.436 -4.303 921 HD22 ASN 121 HD22 ASN 121 1.081 14.942 -3.590 922 H GLU 122 H GLU 122 4.862 15.277 -1.574 923 HA GLU 122 HA GLU 122 6.972 14.698 0.190 924 HB2 GLU 122 HB2 GLU 122 5.749 16.804 0.243 925 HB3 GLU 122 HB3 GLU 122 4.281 15.962 0.725 926 HG2 GLU 122 HG2 GLU 122 5.189 15.425 2.849 927 HG3 GLU 122 HG3 GLU 122 6.801 15.956 2.363 928 H PHE 123 H PHE 123 3.849 13.263 -0.272 929 HA PHE 123 HA PHE 123 3.604 11.889 2.169 930 HB2 PHE 123 HB2 PHE 123 2.594 11.053 -0.562 931 HB3 PHE 123 HB3 PHE 123 2.022 10.435 0.984 932 HD1 PHE 123 HD1 PHE 123 1.175 12.305 2.649 933 HD2 PHE 123 HD2 PHE 123 1.402 12.726 -1.576 934 HE1 PHE 123 HE1 PHE 123 -0.510 14.097 2.739 935 HE2 PHE 123 HE2 PHE 123 -0.278 14.520 -1.495 936 HZ PHE 123 HZ PHE 123 -1.238 15.207 0.666 937 H ASN 124 H ASN 124 5.308 11.142 -0.824 938 HA ASN 124 HA ASN 124 6.012 8.484 -0.196 939 HB2 ASN 124 HB2 ASN 124 7.584 10.454 -1.877 940 HB3 ASN 124 HB3 ASN 124 7.805 8.712 -1.857 941 HD21 ASN 124 HD21 ASN 124 7.329 8.234 -3.902 942 HD22 ASN 124 HD22 ASN 124 5.795 8.522 -4.646 943 H ASP 125 H ASP 125 7.734 11.553 0.232 944 HA ASP 125 HA ASP 125 10.096 10.466 1.272 945 HB2 ASP 125 HB2 ASP 125 9.840 12.782 0.380 946 HB3 ASP 125 HB3 ASP 125 8.958 13.209 1.844 947 H TYR 126 H TYR 126 7.086 11.397 2.827 948 HA TYR 126 HA TYR 126 7.992 11.203 5.494 949 HB2 TYR 126 HB2 TYR 126 5.896 12.314 5.037 950 HB3 TYR 126 HB3 TYR 126 5.222 10.848 4.329 951 HD1 TYR 126 HD1 TYR 126 6.255 12.458 7.479 952 HD2 TYR 126 HD2 TYR 126 4.324 9.107 5.707 953 HE1 TYR 126 HE1 TYR 126 5.412 11.780 9.687 954 HE2 TYR 126 HE2 TYR 126 3.473 8.424 7.909 955 HH TYR 126 HH TYR 126 3.326 10.336 10.507 956 H VAL 127 H VAL 127 6.205 8.839 3.485 957 HA VAL 127 HA VAL 127 6.310 6.847 5.514 958 HB VAL 127 HB VAL 127 4.561 6.958 3.701 959 HG11 VAL 127 HG11 VAL 127 5.997 7.323 1.782 960 HG12 VAL 127 HG12 VAL 127 5.024 5.868 1.566 961 HG13 VAL 127 HG13 VAL 127 6.727 5.732 2.006 962 HG21 VAL 127 HG21 VAL 127 4.336 4.531 3.504 963 HG22 VAL 127 HG22 VAL 127 4.770 5.026 5.139 964 HG23 VAL 127 HG23 VAL 127 5.994 4.336 4.074 965 H ASP 128 H ASP 128 8.338 7.665 2.791 966 HA ASP 128 HA ASP 128 9.984 5.388 2.741 967 HB2 ASP 128 HB2 ASP 128 10.127 6.934 0.934 968 HB3 ASP 128 HB3 ASP 128 10.474 8.278 2.015 969 H MET 129 H MET 129 10.331 8.468 4.487 970 HA MET 129 HA MET 129 12.705 7.805 5.845 971 HB2 MET 129 HB2 MET 129 11.814 10.104 5.676 972 HB3 MET 129 HB3 MET 129 10.489 9.660 6.744 973 HG2 MET 129 HG2 MET 129 12.087 9.208 8.537 974 HG3 MET 129 HG3 MET 129 13.412 9.660 7.467 975 HE1 MET 129 HE1 MET 129 10.266 10.887 9.441 976 HE2 MET 129 HE2 MET 129 9.844 11.346 7.791 977 HE3 MET 129 HE3 MET 129 10.184 12.591 8.994 978 H LYS 130 H LYS 130 9.312 7.298 6.641 979 HA LYS 130 HA LYS 130 9.624 6.330 9.258 980 HB2 LYS 130 HB2 LYS 130 7.488 6.928 7.863 981 HB3 LYS 130 HB3 LYS 130 7.542 5.241 7.384 982 HG2 LYS 130 HG2 LYS 130 7.441 6.166 10.246 983 HG3 LYS 130 HG3 LYS 130 6.015 5.766 9.290 984 HD2 LYS 130 HD2 LYS 130 6.952 3.484 8.956 985 HD3 LYS 130 HD3 LYS 130 8.272 3.910 10.049 986 HE2 LYS 130 HE2 LYS 130 6.621 4.365 11.823 987 HE3 LYS 130 HE3 LYS 130 5.332 3.869 10.728 988 HZ1 LYS 130 HZ1 LYS 130 5.865 2.052 12.147 989 HZ2 LYS 130 HZ2 LYS 130 7.522 2.173 11.795 990 HZ3 LYS 130 HZ3 LYS 130 6.433 1.667 10.596 991 H ALA 131 H ALA 131 9.655 4.668 6.123 992 HA ALA 131 HA ALA 131 9.806 2.038 7.091 993 HB1 ALA 131 HB1 ALA 131 10.861 3.135 4.489 994 HB2 ALA 131 HB2 ALA 131 9.208 2.596 4.785 995 HB3 ALA 131 HB3 ALA 131 10.537 1.438 4.847 996 H LYS 132 H LYS 132 12.413 4.218 5.997 997 HA LYS 132 HA LYS 132 14.465 2.329 6.490 998 HB2 LYS 132 HB2 LYS 132 15.998 4.330 6.301 999 HB3 LYS 132 HB3 LYS 132 14.960 4.013 4.918 1000 HG2 LYS 132 HG2 LYS 132 13.390 5.744 5.848 1001 HG3 LYS 132 HG3 LYS 132 14.659 6.153 7.003 1002 HD2 LYS 132 HD2 LYS 132 14.589 7.586 4.938 1003 HD3 LYS 132 HD3 LYS 132 16.144 6.818 5.264 1004 HE2 LYS 132 HE2 LYS 132 15.851 5.244 3.551 1005 HE3 LYS 132 HE3 LYS 132 14.120 5.555 3.441 1006 HZ1 LYS 132 HZ1 LYS 132 15.958 7.760 2.859 1007 HZ2 LYS 132 HZ2 LYS 132 14.434 7.413 2.194 1008 HZ3 LYS 132 HZ3 LYS 132 15.801 6.532 1.702 1009 H SER 133 H SER 133 12.832 4.589 8.563 1010 HA SER 133 HA SER 133 14.741 4.720 10.633 1011 HB2 SER 133 HB2 SER 133 11.719 4.869 10.794 1012 HB3 SER 133 HB3 SER 133 12.827 5.318 12.091 1013 HG SER 133 HG SER 133 12.580 6.528 9.530 1014 H ALA 134 H ALA 134 12.201 2.401 9.876 1015 HA ALA 134 HA ALA 134 12.622 0.829 12.243 1016 HB1 ALA 134 HB1 ALA 134 10.438 0.909 11.154 1017 HB2 ALA 134 HB2 ALA 134 11.058 -0.742 11.212 1018 HB3 ALA 134 HB3 ALA 134 11.126 0.174 9.706 1019 H LEU 135 H LEU 135 14.337 1.220 9.416 1020 HA LEU 135 HA LEU 135 15.257 -1.552 9.307 1021 HB2 LEU 135 HB2 LEU 135 15.653 0.759 7.411 1022 HB3 LEU 135 HB3 LEU 135 16.390 -0.818 7.200 1023 HG LEU 135 HG LEU 135 13.421 -0.290 7.245 1024 HD11 LEU 135 HD11 LEU 135 13.519 -0.774 4.851 1025 HD12 LEU 135 HD12 LEU 135 15.276 -0.889 4.947 1026 HD13 LEU 135 HD13 LEU 135 14.472 0.650 5.265 1027 HD21 LEU 135 HD21 LEU 135 14.992 -2.791 6.647 1028 HD22 LEU 135 HD22 LEU 135 13.248 -2.607 6.465 1029 HD23 LEU 135 HD23 LEU 135 13.984 -2.506 8.066 1030 H GLY 136 H GLY 136 16.025 1.078 11.016 1031 HA2 GLY 136 HA2 GLY 136 17.846 1.156 12.481 1032 HA3 GLY 136 HA3 GLY 136 18.669 -0.017 11.468 1033 H ILE 137 H ILE 137 17.313 2.851 10.026 1034 HA ILE 137 HA ILE 137 19.712 3.678 8.868 1035 HB ILE 137 HB ILE 137 17.470 4.416 8.097 1036 HG12 ILE 137 HG12 ILE 137 19.369 6.674 8.764 1037 HG13 ILE 137 HG13 ILE 137 19.504 5.599 7.377 1038 HG21 ILE 137 HG21 ILE 137 16.441 4.883 10.248 1039 HG22 ILE 137 HG22 ILE 137 16.367 6.304 9.208 1040 HG23 ILE 137 HG23 ILE 137 17.556 6.226 10.507 1041 HD11 ILE 137 HD11 ILE 137 17.251 7.522 7.899 1042 HD12 ILE 137 HD12 ILE 137 17.400 6.456 6.504 1043 HD13 ILE 137 HD13 ILE 137 18.571 7.752 6.752 1044 H ARG 138 H ARG 138 21.283 5.129 9.441 1045 HA ARG 138 HA ARG 138 21.439 5.827 12.267 1046 HB2 ARG 138 HB2 ARG 138 23.433 5.908 10.009 1047 HB3 ARG 138 HB3 ARG 138 23.751 6.708 11.540 1048 HG2 ARG 138 HG2 ARG 138 24.834 4.625 11.641 1049 HG3 ARG 138 HG3 ARG 138 23.398 4.480 12.652 1050 HD2 ARG 138 HD2 ARG 138 22.282 3.161 11.058 1051 HD3 ARG 138 HD3 ARG 138 23.415 3.601 9.780 1052 HE ARG 138 HE ARG 138 25.033 2.357 11.500 1053 HH11 ARG 138 HH11 ARG 138 21.863 1.421 10.326 1054 HH12 ARG 138 HH12 ARG 138 22.221 -0.281 10.363 1055 HH21 ARG 138 HH21 ARG 138 25.488 0.128 11.534 1056 HH22 ARG 138 HH22 ARG 138 24.267 -1.011 11.057 1057 H ASP 139 H ASP 139 20.476 7.670 12.848 1058 HA ASP 139 HA ASP 139 20.918 10.017 11.133 1059 HB2 ASP 139 HB2 ASP 139 18.735 10.789 11.446 1060 HB3 ASP 139 HB3 ASP 139 18.512 9.058 11.223 1061 H LEU 140 H LEU 140 20.911 12.060 12.296 1062 HA LEU 140 HA LEU 140 22.321 11.748 14.825 1063 HB2 LEU 140 HB2 LEU 140 23.314 13.086 12.999 1064 HB3 LEU 140 HB3 LEU 140 21.953 14.187 13.085 1065 HG LEU 140 HG LEU 140 22.646 14.615 15.506 1066 HD11 LEU 140 HD11 LEU 140 25.175 13.310 14.511 1067 HD12 LEU 140 HD12 LEU 140 24.108 12.687 15.771 1068 HD13 LEU 140 HD13 LEU 140 24.995 14.189 16.029 1069 HD21 LEU 140 HD21 LEU 140 24.324 16.253 14.840 1070 HD22 LEU 140 HD22 LEU 140 22.982 16.222 13.697 1071 HD23 LEU 140 HD23 LEU 140 24.509 15.443 13.284 1072 H GLU 141 H GLU 141 19.202 12.488 13.763 1073 HA GLU 141 HA GLU 141 18.590 14.517 15.704 1074 HB2 GLU 141 HB2 GLU 141 16.764 12.866 13.948 1075 HB3 GLU 141 HB3 GLU 141 16.268 14.256 14.905 1076 HG2 GLU 141 HG2 GLU 141 17.756 15.686 13.603 1077 HG3 GLU 141 HG3 GLU 141 18.254 14.292 12.644 1078 H HIS 142 H HIS 142 18.031 11.034 15.377 1079 HA HIS 142 HA HIS 142 16.840 10.925 18.029 1080 HB2 HIS 142 HB2 HIS 142 17.711 8.659 16.212 1081 HB3 HIS 142 HB3 HIS 142 16.777 8.488 17.693 1082 HD1 HIS 142 HD1 HIS 142 14.688 10.744 17.191 1083 HD2 HIS 142 HD2 HIS 142 15.854 7.914 14.369 1084 HE1 HIS 142 HE1 HIS 142 12.785 10.588 15.552 1085 HE2 HIS 142 HE2 HIS 142 13.566 8.974 13.777 1086 H HIS 143 H HIS 143 18.400 11.678 19.419 1087 HA HIS 143 HA HIS 143 21.075 10.490 19.190 1088 HB2 HIS 143 HB2 HIS 143 20.568 13.068 19.177 1089 HB3 HIS 143 HB3 HIS 143 20.492 12.856 20.924 1090 HD1 HIS 143 HD1 HIS 143 22.751 11.921 22.072 1091 HD2 HIS 143 HD2 HIS 143 23.075 13.210 18.122 1092 HE1 HIS 143 HE1 HIS 143 25.212 12.235 21.651 1093 HE2 HIS 143 HE2 HIS 143 25.374 13.138 19.303 1094 H HIS 144 H HIS 144 20.615 8.581 20.263 1095 HA HIS 144 HA HIS 144 21.109 8.696 23.054 1096 HB2 HIS 144 HB2 HIS 144 19.103 7.491 23.839 1097 HB3 HIS 144 HB3 HIS 144 18.701 9.079 23.206 1098 HD1 HIS 144 HD1 HIS 144 17.701 5.614 23.022 1099 HD2 HIS 144 HD2 HIS 144 17.582 8.897 20.462 1100 HE1 HIS 144 HE1 HIS 144 15.993 5.044 21.266 1101 HE2 HIS 144 HE2 HIS 144 15.854 7.081 19.787 1102 H HIS 145 H HIS 145 22.482 7.677 20.931 1103 HA HIS 145 HA HIS 145 22.004 4.842 20.655 1104 HB2 HIS 145 HB2 HIS 145 24.336 6.570 19.778 1105 HB3 HIS 145 HB3 HIS 145 24.168 4.862 19.396 1106 HD1 HIS 145 HD1 HIS 145 24.016 5.167 16.879 1107 HD2 HIS 145 HD2 HIS 145 21.181 7.390 18.959 1108 HE1 HIS 145 HE1 HIS 145 22.425 6.043 15.138 1109 HE2 HIS 145 HE2 HIS 145 20.841 7.538 16.398 1110 H HIS 146 H HIS 146 22.579 3.397 22.133 1111 HA HIS 146 HA HIS 146 24.205 4.212 24.371 1112 HB2 HIS 146 HB2 HIS 146 22.936 1.537 23.746 1113 HB3 HIS 146 HB3 HIS 146 23.710 1.963 25.268 1114 HD1 HIS 146 HD1 HIS 146 20.723 1.107 25.102 1115 HD2 HIS 146 HD2 HIS 146 22.073 5.045 25.132 1116 HE1 HIS 146 HE1 HIS 146 18.784 2.489 25.916 1117 HE2 HIS 146 HE2 HIS 146 19.647 4.856 26.017 1118 H HIS 147 H HIS 147 26.303 3.879 24.652 1119 HA HIS 147 HA HIS 147 27.764 2.423 22.587 1120 HB2 HIS 147 HB2 HIS 147 28.797 4.129 24.869 1121 HB3 HIS 147 HB3 HIS 147 29.770 3.455 23.565 1122 HD1 HIS 147 HD1 HIS 147 29.225 4.410 21.119 1123 HD2 HIS 147 HD2 HIS 147 27.644 6.554 24.312 1124 HE1 HIS 147 HE1 HIS 147 28.603 6.659 20.187 1125 HE2 HIS 147 HE2 HIS 147 27.422 7.834 22.075 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -20.102 9.002 3.664 2 H2 MET 1 H2 MET 1 -19.497 8.864 2.087 3 H3 MET 1 H3 MET 1 -18.493 8.528 3.411 4 HA MET 1 HA MET 1 -19.854 6.643 4.017 5 HB2 MET 1 HB2 MET 1 -21.342 7.322 1.467 6 HB3 MET 1 HB3 MET 1 -21.579 5.863 2.420 7 HG2 MET 1 HG2 MET 1 -22.318 7.217 4.312 8 HG3 MET 1 HG3 MET 1 -22.084 8.677 3.354 9 HE1 MET 1 HE1 MET 1 -25.960 8.532 3.559 10 HE2 MET 1 HE2 MET 1 -24.511 9.506 3.810 11 HE3 MET 1 HE3 MET 1 -24.815 8.096 4.826 12 H ASP 2 H ASP 2 -19.579 7.167 0.509 13 HA ASP 2 HA ASP 2 -17.353 5.247 0.489 14 HB2 ASP 2 HB2 ASP 2 -17.973 5.532 -2.148 15 HB3 ASP 2 HB3 ASP 2 -18.625 4.266 -1.116 16 H ASP 3 H ASP 3 -15.444 5.826 -0.592 17 HA ASP 3 HA ASP 3 -14.826 8.606 -0.374 18 HB2 ASP 3 HB2 ASP 3 -13.159 6.271 -1.330 19 HB3 ASP 3 HB3 ASP 3 -12.546 7.911 -1.164 20 H ARG 4 H ARG 4 -16.240 9.487 -1.894 21 HA ARG 4 HA ARG 4 -15.954 8.800 -4.682 22 HB2 ARG 4 HB2 ARG 4 -17.581 10.938 -3.312 23 HB3 ARG 4 HB3 ARG 4 -17.651 10.573 -5.032 24 HG2 ARG 4 HG2 ARG 4 -18.398 8.298 -4.503 25 HG3 ARG 4 HG3 ARG 4 -18.368 8.705 -2.786 26 HD2 ARG 4 HD2 ARG 4 -20.074 10.355 -3.086 27 HD3 ARG 4 HD3 ARG 4 -20.011 10.168 -4.840 28 HE ARG 4 HE ARG 4 -20.809 7.932 -3.092 29 HH11 ARG 4 HH11 ARG 4 -21.473 10.160 -5.725 30 HH12 ARG 4 HH12 ARG 4 -22.883 9.299 -6.265 31 HH21 ARG 4 HH21 ARG 4 -22.666 6.795 -3.815 32 HH22 ARG 4 HH22 ARG 4 -23.573 7.401 -5.172 33 H THR 5 H THR 5 -13.635 9.344 -4.656 34 HA THR 5 HA THR 5 -13.281 11.783 -6.048 35 HB THR 5 HB THR 5 -13.253 12.710 -3.752 36 HG1 THR 5 HG1 THR 5 -11.665 13.268 -5.639 37 HG21 THR 5 HG21 THR 5 -10.827 10.957 -3.353 38 HG22 THR 5 HG22 THR 5 -12.385 10.769 -2.547 39 HG23 THR 5 HG23 THR 5 -11.397 12.196 -2.235 40 H GLU 6 H GLU 6 -11.452 11.702 -7.299 41 HA GLU 6 HA GLU 6 -9.961 9.205 -7.171 42 HB2 GLU 6 HB2 GLU 6 -9.030 9.983 -9.386 43 HB3 GLU 6 HB3 GLU 6 -10.761 9.686 -9.351 44 HG2 GLU 6 HG2 GLU 6 -11.149 12.099 -9.125 45 HG3 GLU 6 HG3 GLU 6 -9.410 12.370 -9.222 46 H TYR 7 H TYR 7 -8.378 9.257 -5.742 47 HA TYR 7 HA TYR 7 -6.666 11.642 -5.659 48 HB2 TYR 7 HB2 TYR 7 -6.226 11.082 -3.275 49 HB3 TYR 7 HB3 TYR 7 -7.906 11.493 -3.598 50 HD1 TYR 7 HD2 TYR 7 -5.589 8.789 -2.698 51 HD2 TYR 7 HD1 TYR 7 -9.653 9.840 -3.381 52 HE1 TYR 7 HE2 TYR 7 -6.306 6.695 -1.627 53 HE2 TYR 7 HE1 TYR 7 -10.381 7.753 -2.309 54 HH TYR 7 HH TYR 7 -9.444 5.492 -1.845 55 H ASP 8 H ASP 8 -4.469 11.146 -4.707 56 HA ASP 8 HA ASP 8 -3.405 8.770 -6.057 57 HB2 ASP 8 HB2 ASP 8 -1.848 11.109 -4.934 58 HB3 ASP 8 HB3 ASP 8 -1.260 9.867 -6.033 59 H VAL 9 H VAL 9 -2.556 7.129 -4.916 60 HA VAL 9 HA VAL 9 -2.433 7.386 -1.998 61 HB VAL 9 HB VAL 9 -2.155 4.907 -3.720 62 HG11 VAL 9 HG11 VAL 9 -2.556 3.677 -1.646 63 HG12 VAL 9 HG12 VAL 9 -2.557 5.195 -0.749 64 HG13 VAL 9 HG13 VAL 9 -1.086 4.649 -1.557 65 HG21 VAL 9 HG21 VAL 9 -4.448 4.384 -3.014 66 HG22 VAL 9 HG22 VAL 9 -4.371 5.870 -3.961 67 HG23 VAL 9 HG23 VAL 9 -4.547 5.949 -2.208 68 H TYR 10 H TYR 10 -0.518 7.974 -1.174 69 HA TYR 10 HA TYR 10 1.834 7.838 -2.868 70 HB2 TYR 10 HB2 TYR 10 1.103 9.308 -0.369 71 HB3 TYR 10 HB3 TYR 10 2.804 9.096 -0.764 72 HD1 TYR 10 HD2 TYR 10 -0.274 9.966 -2.725 73 HD2 TYR 10 HD1 TYR 10 3.731 10.964 -1.701 74 HE1 TYR 10 HE2 TYR 10 -0.369 11.892 -4.252 75 HE2 TYR 10 HE1 TYR 10 3.646 12.890 -3.224 76 HH TYR 10 HH TYR 10 0.661 13.818 -4.864 77 H THR 11 H THR 11 3.726 6.808 -2.420 78 HA THR 11 HA THR 11 4.402 5.654 0.047 79 HB THR 11 HB THR 11 2.643 4.029 -0.483 80 HG1 THR 11 HG1 THR 11 3.871 2.309 0.048 81 HG21 THR 11 HG21 THR 11 4.266 3.424 -2.958 82 HG22 THR 11 HG22 THR 11 2.680 4.193 -2.922 83 HG23 THR 11 HG23 THR 11 2.858 2.519 -2.401 84 H ASP 12 H ASP 12 6.285 4.016 -0.322 85 HA ASP 12 HA ASP 12 7.743 4.501 -2.798 86 HB2 ASP 12 HB2 ASP 12 8.608 6.237 -1.292 87 HB3 ASP 12 HB3 ASP 12 8.945 5.023 -0.062 88 H GLY 13 H GLY 13 7.271 2.345 -3.259 89 HA2 GLY 13 HA2 GLY 13 8.008 0.242 -1.435 90 HA3 GLY 13 HA3 GLY 13 7.426 0.041 -3.081 91 H SER 14 H SER 14 10.278 1.394 -1.440 92 HA SER 14 HA SER 14 11.946 0.075 -3.477 93 HB2 SER 14 HB2 SER 14 12.558 2.532 -1.814 94 HB3 SER 14 HB3 SER 14 13.645 1.798 -2.993 95 HG SER 14 HG SER 14 11.300 3.287 -3.382 96 H TYR 15 H TYR 15 12.912 -1.672 -2.756 97 HA TYR 15 HA TYR 15 13.384 -2.184 0.028 98 HB2 TYR 15 HB2 TYR 15 14.475 -4.259 -0.809 99 HB3 TYR 15 HB3 TYR 15 12.854 -4.039 -1.459 100 HD1 TYR 15 HD2 TYR 15 12.531 -3.455 -3.822 101 HD2 TYR 15 HD1 TYR 15 16.415 -4.148 -2.233 102 HE1 TYR 15 HE2 TYR 15 13.423 -3.655 -6.105 103 HE2 TYR 15 HE1 TYR 15 17.318 -4.346 -4.510 104 HH TYR 15 HH TYR 15 15.594 -3.396 -7.266 105 H VAL 16 H VAL 16 15.596 -2.762 0.829 106 HA VAL 16 HA VAL 16 17.901 -1.797 -0.527 107 HB VAL 16 HB VAL 16 16.967 0.389 0.017 108 HG11 VAL 16 HG11 VAL 16 15.586 -0.239 1.914 109 HG12 VAL 16 HG12 VAL 16 16.646 1.110 2.329 110 HG13 VAL 16 HG13 VAL 16 17.029 -0.517 2.890 111 HG21 VAL 16 HG21 VAL 16 19.336 -0.280 1.766 112 HG22 VAL 16 HG22 VAL 16 18.854 1.341 1.258 113 HG23 VAL 16 HG23 VAL 16 19.392 0.165 0.060 114 H ASN 17 H ASN 17 19.781 -2.428 0.466 115 HA ASN 17 HA ASN 17 21.220 -3.399 1.927 116 HB2 ASN 17 HB2 ASN 17 20.288 -1.591 3.428 117 HB3 ASN 17 HB3 ASN 17 19.174 -2.789 4.071 118 HD21 ASN 17 HD21 ASN 17 22.567 -1.956 3.719 119 HD22 ASN 17 HD22 ASN 17 23.108 -2.838 5.110 120 H GLY 18 H GLY 18 19.074 -4.883 0.598 121 HA2 GLY 18 HA2 GLY 18 18.639 -7.141 0.401 122 HA3 GLY 18 HA3 GLY 18 19.560 -7.405 1.874 123 H GLN 19 H GLN 19 17.243 -5.054 2.412 124 HA GLN 19 HA GLN 19 15.361 -7.075 3.442 125 HB2 GLN 19 HB2 GLN 19 15.995 -4.356 4.610 126 HB3 GLN 19 HB3 GLN 19 14.789 -5.475 5.231 127 HG2 GLN 19 HG2 GLN 19 16.559 -7.109 5.687 128 HG3 GLN 19 HG3 GLN 19 17.756 -5.960 5.101 129 HE21 GLN 19 HE21 GLN 19 14.951 -5.094 7.029 130 HE22 GLN 19 HE22 GLN 19 15.837 -4.628 8.439 131 H TYR 20 H TYR 20 13.132 -6.536 3.383 132 HA TYR 20 HA TYR 20 12.416 -4.306 1.633 133 HB2 TYR 20 HB2 TYR 20 10.844 -5.859 0.399 134 HB3 TYR 20 HB3 TYR 20 12.556 -6.099 0.072 135 HD1 TYR 20 HD2 TYR 20 9.578 -7.510 1.702 136 HD2 TYR 20 HD1 TYR 20 13.677 -8.133 0.736 137 HE1 TYR 20 HE2 TYR 20 9.349 -9.886 2.285 138 HE2 TYR 20 HE1 TYR 20 13.456 -10.514 1.311 139 HH TYR 20 HH TYR 20 11.989 -11.934 2.731 140 H ALA 21 H ALA 21 10.377 -3.484 1.931 141 HA ALA 21 HA ALA 21 8.556 -4.746 3.804 142 HB1 ALA 21 HB1 ALA 21 10.015 -3.448 5.274 143 HB2 ALA 21 HB2 ALA 21 8.395 -2.752 5.225 144 HB3 ALA 21 HB3 ALA 21 9.707 -2.000 4.316 145 H TRP 22 H TRP 22 6.430 -3.803 3.711 146 HA TRP 22 HA TRP 22 6.054 -2.112 1.338 147 HB2 TRP 22 HB2 TRP 22 3.735 -3.084 1.232 148 HB3 TRP 22 HB3 TRP 22 5.030 -4.222 0.890 149 HD1 TRP 22 HD1 TRP 22 5.519 -6.115 2.768 150 HE1 TRP 22 HE1 TRP 22 3.989 -7.141 4.563 151 HE3 TRP 22 HE3 TRP 22 1.828 -2.569 2.810 152 HZ2 TRP 22 HZ2 TRP 22 1.541 -6.529 5.825 153 HZ3 TRP 22 HZ3 TRP 22 -0.076 -2.871 4.338 154 HH2 TRP 22 HH2 TRP 22 -0.217 -4.812 5.814 155 H ALA 23 H ALA 23 5.080 -0.233 1.573 156 HA ALA 23 HA ALA 23 3.795 0.382 4.143 157 HB1 ALA 23 HB1 ALA 23 5.776 2.126 2.677 158 HB2 ALA 23 HB2 ALA 23 6.062 1.287 4.202 159 HB3 ALA 23 HB3 ALA 23 4.874 2.589 4.118 160 H TYR 24 H TYR 24 2.198 2.049 4.016 161 HA TYR 24 HA TYR 24 1.591 3.118 1.381 162 HB2 TYR 24 HB2 TYR 24 -0.292 1.317 2.901 163 HB3 TYR 24 HB3 TYR 24 -0.878 2.490 1.725 164 HD1 TYR 24 HD1 TYR 24 0.066 2.349 -0.648 165 HD2 TYR 24 HD2 TYR 24 0.440 -0.794 2.196 166 HE1 TYR 24 HE1 TYR 24 0.516 0.762 -2.470 167 HE2 TYR 24 HE2 TYR 24 0.890 -2.391 0.380 168 HH TYR 24 HH TYR 24 1.626 -1.400 -2.792 169 H ALA 25 H ALA 25 0.762 5.100 1.442 170 HA ALA 25 HA ALA 25 -0.183 6.128 4.036 171 HB1 ALA 25 HB1 ALA 25 1.219 7.652 1.837 172 HB2 ALA 25 HB2 ALA 25 1.940 7.160 3.370 173 HB3 ALA 25 HB3 ALA 25 0.623 8.334 3.350 174 H PHE 26 H PHE 26 -2.332 6.201 3.934 175 HA PHE 26 HA PHE 26 -3.658 6.522 1.378 176 HB2 PHE 26 HB2 PHE 26 -4.791 6.163 4.166 177 HB3 PHE 26 HB3 PHE 26 -5.742 6.186 2.686 178 HD1 PHE 26 HD1 PHE 26 -5.192 4.418 0.914 179 HD2 PHE 26 HD2 PHE 26 -3.906 4.160 4.963 180 HE1 PHE 26 HE1 PHE 26 -4.853 1.998 0.647 181 HE2 PHE 26 HE2 PHE 26 -3.564 1.741 4.702 182 HZ PHE 26 HZ PHE 26 -4.034 0.656 2.546 183 H VAL 27 H VAL 27 -3.406 8.525 0.678 184 HA VAL 27 HA VAL 27 -4.176 10.731 2.447 185 HB VAL 27 HB VAL 27 -1.957 11.126 1.786 186 HG11 VAL 27 HG11 VAL 27 -1.727 9.454 0.069 187 HG12 VAL 27 HG12 VAL 27 -1.176 11.011 -0.552 188 HG13 VAL 27 HG13 VAL 27 -2.755 10.382 -1.023 189 HG21 VAL 27 HG21 VAL 27 -2.040 13.088 0.334 190 HG22 VAL 27 HG22 VAL 27 -3.360 13.098 1.502 191 HG23 VAL 27 HG23 VAL 27 -3.670 12.647 -0.175 192 H LYS 28 H LYS 28 -6.167 11.350 2.149 193 HA LYS 28 HA LYS 28 -7.252 11.495 -0.591 194 HB2 LYS 28 HB2 LYS 28 -8.906 11.236 1.927 195 HB3 LYS 28 HB3 LYS 28 -9.440 11.048 0.268 196 HG2 LYS 28 HG2 LYS 28 -8.239 8.968 0.072 197 HG3 LYS 28 HG3 LYS 28 -7.557 9.178 1.687 198 HD2 LYS 28 HD2 LYS 28 -9.880 9.179 2.591 199 HD3 LYS 28 HD3 LYS 28 -10.462 8.792 0.974 200 HE2 LYS 28 HE2 LYS 28 -9.206 6.717 0.988 201 HE3 LYS 28 HE3 LYS 28 -8.527 7.116 2.566 202 HZ1 LYS 28 HZ1 LYS 28 -11.355 6.474 1.916 203 HZ2 LYS 28 HZ2 LYS 28 -10.883 7.158 3.394 204 HZ3 LYS 28 HZ3 LYS 28 -10.301 5.631 2.947 205 H ASP 29 H ASP 29 -8.365 13.436 -1.101 206 HA ASP 29 HA ASP 29 -9.126 15.573 -0.900 207 HB2 ASP 29 HB2 ASP 29 -10.395 14.794 1.022 208 HB3 ASP 29 HB3 ASP 29 -8.988 14.951 2.061 209 H GLY 30 H GLY 30 -6.140 14.613 -0.342 210 HA2 GLY 30 HA2 GLY 30 -4.266 15.983 -0.810 211 HA3 GLY 30 HA3 GLY 30 -5.154 17.365 -0.192 212 H LYS 31 H LYS 31 -5.536 14.776 1.910 213 HA LYS 31 HA LYS 31 -3.040 15.249 3.303 214 HB2 LYS 31 HB2 LYS 31 -4.315 15.488 5.497 215 HB3 LYS 31 HB3 LYS 31 -4.251 16.879 4.429 216 HG2 LYS 31 HG2 LYS 31 -6.452 16.760 5.227 217 HG3 LYS 31 HG3 LYS 31 -6.504 16.171 3.563 218 HD2 LYS 31 HD2 LYS 31 -6.155 13.844 4.724 219 HD3 LYS 31 HD3 LYS 31 -6.827 14.687 6.124 220 HE2 LYS 31 HE2 LYS 31 -8.142 14.741 3.434 221 HE3 LYS 31 HE3 LYS 31 -8.426 13.457 4.595 222 HZ1 LYS 31 HZ1 LYS 31 -8.844 16.335 5.181 223 HZ2 LYS 31 HZ2 LYS 31 -9.309 15.023 6.149 224 HZ3 LYS 31 HZ3 LYS 31 -10.079 15.297 4.661 225 H VAL 32 H VAL 32 -2.444 13.679 4.858 226 HA VAL 32 HA VAL 32 -3.312 11.072 3.956 227 HB VAL 32 HB VAL 32 -1.212 11.738 6.023 228 HG11 VAL 32 HG11 VAL 32 -1.996 9.443 6.151 229 HG12 VAL 32 HG12 VAL 32 -0.353 9.496 5.511 230 HG13 VAL 32 HG13 VAL 32 -1.715 9.232 4.422 231 HG21 VAL 32 HG21 VAL 32 -0.869 11.218 3.072 232 HG22 VAL 32 HG22 VAL 32 0.426 11.481 4.241 233 HG23 VAL 32 HG23 VAL 32 -0.703 12.784 3.866 234 H HIS 33 H HIS 33 -4.814 9.911 4.905 235 HA HIS 33 HA HIS 33 -5.908 10.764 7.452 236 HB2 HIS 33 HB2 HIS 33 -7.356 10.143 5.500 237 HB3 HIS 33 HB3 HIS 33 -6.790 8.486 5.667 238 HD1 HIS 33 HD1 HIS 33 -8.569 11.100 7.784 239 HD2 HIS 33 HD2 HIS 33 -8.367 6.974 7.277 240 HE1 HIS 33 HE1 HIS 33 -10.334 10.139 9.300 241 HE2 HIS 33 HE2 HIS 33 -10.337 7.668 8.811 242 H TYR 34 H TYR 34 -4.030 8.144 6.119 243 HA TYR 34 HA TYR 34 -3.149 7.356 8.728 244 HB2 TYR 34 HB2 TYR 34 -5.113 6.014 8.798 245 HB3 TYR 34 HB3 TYR 34 -4.933 5.528 7.116 246 HD1 TYR 34 HD2 TYR 34 -3.506 5.118 10.507 247 HD2 TYR 34 HD1 TYR 34 -3.671 3.606 6.535 248 HE1 TYR 34 HE2 TYR 34 -2.306 3.100 11.234 249 HE2 TYR 34 HE1 TYR 34 -2.470 1.582 7.248 250 HH TYR 34 HH TYR 34 -0.928 0.903 9.070 251 H GLU 35 H GLU 35 -1.169 6.403 8.631 252 HA GLU 35 HA GLU 35 -0.216 5.291 6.126 253 HB2 GLU 35 HB2 GLU 35 1.742 6.699 5.993 254 HB3 GLU 35 HB3 GLU 35 0.312 7.715 5.991 255 HG2 GLU 35 HG2 GLU 35 2.075 7.203 8.379 256 HG3 GLU 35 HG3 GLU 35 2.150 8.627 7.347 257 H ASP 36 H ASP 36 1.263 3.687 6.421 258 HA ASP 36 HA ASP 36 2.939 3.513 8.714 259 HB2 ASP 36 HB2 ASP 36 0.586 2.767 9.537 260 HB3 ASP 36 HB3 ASP 36 0.910 1.297 8.622 261 H ALA 37 H ALA 37 3.970 1.215 8.777 262 HA ALA 37 HA ALA 37 4.253 0.147 6.069 263 HB1 ALA 37 HB1 ALA 37 6.698 0.261 6.217 264 HB2 ALA 37 HB2 ALA 37 6.561 1.133 7.743 265 HB3 ALA 37 HB3 ALA 37 5.969 1.866 6.252 266 H ASP 38 H ASP 38 4.716 -2.002 6.014 267 HA ASP 38 HA ASP 38 5.463 -3.330 8.521 268 HB2 ASP 38 HB2 ASP 38 2.878 -3.360 7.779 269 HB3 ASP 38 HB3 ASP 38 3.455 -4.718 6.818 270 H VAL 39 H VAL 39 5.896 -5.799 7.906 271 HA VAL 39 HA VAL 39 7.709 -5.628 5.602 272 HB VAL 39 HB VAL 39 8.966 -7.460 6.715 273 HG11 VAL 39 HG11 VAL 39 9.634 -5.119 6.978 274 HG12 VAL 39 HG12 VAL 39 9.993 -6.061 8.425 275 HG13 VAL 39 HG13 VAL 39 8.593 -4.988 8.396 276 HG21 VAL 39 HG21 VAL 39 7.171 -8.424 8.042 277 HG22 VAL 39 HG22 VAL 39 7.065 -6.946 8.997 278 HG23 VAL 39 HG23 VAL 39 8.514 -7.948 9.082 279 H GLY 40 H GLY 40 8.092 -7.650 4.400 280 HA2 GLY 40 HA2 GLY 40 5.801 -9.004 3.548 281 HA3 GLY 40 HA3 GLY 40 7.451 -9.587 3.335 282 H LYS 41 H LYS 41 4.620 -10.637 4.424 283 HA LYS 41 HA LYS 41 5.748 -11.956 6.780 284 HB2 LYS 41 HB2 LYS 41 3.771 -11.298 8.113 285 HB3 LYS 41 HB3 LYS 41 4.767 -9.930 7.633 286 HG2 LYS 41 HG2 LYS 41 3.080 -9.789 5.636 287 HG3 LYS 41 HG3 LYS 41 2.031 -10.696 6.731 288 HD2 LYS 41 HD2 LYS 41 3.326 -8.019 7.243 289 HD3 LYS 41 HD3 LYS 41 1.606 -8.343 7.015 290 HE2 LYS 41 HE2 LYS 41 1.484 -9.542 9.067 291 HE3 LYS 41 HE3 LYS 41 3.238 -9.524 9.248 292 HZ1 LYS 41 HZ1 LYS 41 3.113 -7.084 9.426 293 HZ2 LYS 41 HZ2 LYS 41 2.291 -7.883 10.676 294 HZ3 LYS 41 HZ3 LYS 41 1.422 -7.184 9.403 295 H ASN 42 H ASN 42 3.517 -13.048 7.792 296 HA ASN 42 HA ASN 42 2.659 -14.894 5.670 297 HB2 ASN 42 HB2 ASN 42 4.026 -15.397 8.065 298 HB3 ASN 42 HB3 ASN 42 2.372 -15.919 8.367 299 HD21 ASN 42 HD21 ASN 42 3.134 -18.049 8.514 300 HD22 ASN 42 HD22 ASN 42 3.494 -18.964 7.087 301 HA PRO 43 HA PRO 43 -1.571 -13.834 6.401 302 HB2 PRO 43 HB2 PRO 43 -2.767 -16.304 6.274 303 HB3 PRO 43 HB3 PRO 43 -2.265 -15.371 4.859 304 HG2 PRO 43 HG2 PRO 43 -0.852 -17.617 6.247 305 HG3 PRO 43 HG3 PRO 43 -1.043 -17.316 4.509 306 HD2 PRO 43 HD2 PRO 43 1.240 -16.732 5.781 307 HD3 PRO 43 HD3 PRO 43 0.616 -15.695 4.480 308 H ALA 44 H ALA 44 0.031 -16.134 8.430 309 HA ALA 44 HA ALA 44 -2.017 -16.475 10.368 310 HB1 ALA 44 HB1 ALA 44 -0.263 -17.393 11.782 311 HB2 ALA 44 HB2 ALA 44 0.967 -16.763 10.687 312 HB3 ALA 44 HB3 ALA 44 -0.133 -18.027 10.141 313 H ALA 45 H ALA 45 -0.012 -13.852 9.604 314 HA ALA 45 HA ALA 45 -0.009 -12.696 12.264 315 HB1 ALA 45 HB1 ALA 45 1.197 -10.848 11.254 316 HB2 ALA 45 HB2 ALA 45 0.881 -11.494 9.644 317 HB3 ALA 45 HB3 ALA 45 1.916 -12.382 10.762 318 H ALA 46 H ALA 46 -2.368 -13.126 10.127 319 HA ALA 46 HA ALA 46 -3.553 -10.582 9.791 320 HB1 ALA 46 HB1 ALA 46 -4.188 -12.534 8.457 321 HB2 ALA 46 HB2 ALA 46 -5.587 -11.799 9.240 322 HB3 ALA 46 HB3 ALA 46 -4.891 -13.283 9.891 323 H THR 47 H THR 47 -3.241 -12.609 12.513 324 HA THR 47 HA THR 47 -5.480 -11.863 14.032 325 HB THR 47 HB THR 47 -3.894 -12.365 15.995 326 HG1 THR 47 HG1 THR 47 -1.911 -13.265 15.426 327 HG21 THR 47 HG21 THR 47 -5.464 -14.011 15.065 328 HG22 THR 47 HG22 THR 47 -3.952 -14.771 15.557 329 HG23 THR 47 HG23 THR 47 -4.269 -14.462 13.850 330 H MET 48 H MET 48 -2.322 -10.376 13.580 331 HA MET 48 HA MET 48 -2.981 -8.215 15.418 332 HB2 MET 48 HB2 MET 48 -0.464 -8.895 13.897 333 HB3 MET 48 HB3 MET 48 -0.638 -7.441 14.871 334 HG2 MET 48 HG2 MET 48 -0.986 -8.775 16.859 335 HG3 MET 48 HG3 MET 48 -0.922 -10.255 15.904 336 HE1 MET 48 HE1 MET 48 1.451 -9.732 13.880 337 HE2 MET 48 HE2 MET 48 1.218 -11.220 14.796 338 HE3 MET 48 HE3 MET 48 2.791 -10.423 14.795 339 H ARG 49 H ARG 49 -2.160 -8.673 12.001 340 HA ARG 49 HA ARG 49 -2.767 -7.546 10.130 341 HB2 ARG 49 HB2 ARG 49 -4.635 -6.207 12.058 342 HB3 ARG 49 HB3 ARG 49 -4.505 -5.656 10.395 343 HG2 ARG 49 HG2 ARG 49 -5.175 -7.842 9.592 344 HG3 ARG 49 HG3 ARG 49 -5.241 -8.447 11.249 345 HD2 ARG 49 HD2 ARG 49 -7.053 -6.997 11.786 346 HD3 ARG 49 HD3 ARG 49 -6.886 -6.128 10.262 347 HE ARG 49 HE ARG 49 -7.378 -8.734 9.551 348 HH11 ARG 49 HH11 ARG 49 -9.039 -6.346 11.513 349 HH12 ARG 49 HH12 ARG 49 -10.618 -6.938 11.092 350 HH21 ARG 49 HH21 ARG 49 -9.441 -9.476 8.980 351 HH22 ARG 49 HH22 ARG 49 -10.854 -8.697 9.631 352 H ASN 50 H ASN 50 -2.635 -5.103 12.715 353 HA ASN 50 HA ASN 50 -1.711 -3.047 12.850 354 HB2 ASN 50 HB2 ASN 50 0.424 -4.218 12.747 355 HB3 ASN 50 HB3 ASN 50 0.362 -4.232 10.988 356 HD21 ASN 50 HD21 ASN 50 2.212 -3.085 10.648 357 HD22 ASN 50 HD22 ASN 50 2.374 -1.400 11.049 358 H VAL 51 H VAL 51 -0.527 -3.392 9.548 359 HA VAL 51 HA VAL 51 -1.956 -1.039 8.732 360 HB VAL 51 HB VAL 51 -0.444 -2.954 6.949 361 HG11 VAL 51 HG11 VAL 51 -0.160 -0.988 5.515 362 HG12 VAL 51 HG12 VAL 51 -1.125 -0.032 6.639 363 HG13 VAL 51 HG13 VAL 51 -1.863 -1.373 5.763 364 HG21 VAL 51 HG21 VAL 51 1.493 -1.466 7.256 365 HG22 VAL 51 HG22 VAL 51 1.020 -2.267 8.754 366 HG23 VAL 51 HG23 VAL 51 0.595 -0.575 8.487 367 H ALA 52 H ALA 52 -2.431 -4.460 8.521 368 HA ALA 52 HA ALA 52 -3.941 -4.601 6.160 369 HB1 ALA 52 HB1 ALA 52 -2.844 -6.530 7.183 370 HB2 ALA 52 HB2 ALA 52 -4.552 -6.837 6.869 371 HB3 ALA 52 HB3 ALA 52 -4.006 -6.486 8.509 372 H GLY 53 H GLY 53 -4.872 -3.470 9.269 373 HA2 GLY 53 HA2 GLY 53 -7.644 -4.060 9.164 374 HA3 GLY 53 HA3 GLY 53 -6.900 -2.771 10.101 375 H GLU 54 H GLU 54 -5.878 -1.080 8.367 376 HA GLU 54 HA GLU 54 -8.133 0.171 7.166 377 HB2 GLU 54 HB2 GLU 54 -5.187 0.781 7.191 378 HB3 GLU 54 HB3 GLU 54 -6.299 1.717 6.206 379 HG2 GLU 54 HG2 GLU 54 -5.855 2.829 8.314 380 HG3 GLU 54 HG3 GLU 54 -7.548 2.361 8.190 381 H ILE 55 H ILE 55 -5.574 -1.898 6.015 382 HA ILE 55 HA ILE 55 -5.845 -1.506 3.249 383 HB ILE 55 HB ILE 55 -5.054 -3.970 4.800 384 HG12 ILE 55 HG12 ILE 55 -3.542 -2.051 5.023 385 HG13 ILE 55 HG13 ILE 55 -2.781 -3.368 4.137 386 HG21 ILE 55 HG21 ILE 55 -4.125 -4.838 2.687 387 HG22 ILE 55 HG22 ILE 55 -4.889 -3.500 1.827 388 HG23 ILE 55 HG23 ILE 55 -5.883 -4.701 2.653 389 HD11 ILE 55 HD11 ILE 55 -3.209 -2.206 2.039 390 HD12 ILE 55 HD12 ILE 55 -2.259 -1.214 3.146 391 HD13 ILE 55 HD13 ILE 55 -3.979 -0.888 2.922 392 H ALA 56 H ALA 56 -7.594 -3.628 5.483 393 HA ALA 56 HA ALA 56 -9.141 -5.012 3.604 394 HB1 ALA 56 HB1 ALA 56 -8.968 -5.672 5.958 395 HB2 ALA 56 HB2 ALA 56 -10.650 -5.511 5.452 396 HB3 ALA 56 HB3 ALA 56 -9.897 -4.247 6.424 397 H ALA 57 H ALA 57 -9.684 -1.927 5.242 398 HA ALA 57 HA ALA 57 -12.278 -1.484 4.168 399 HB1 ALA 57 HB1 ALA 57 -11.484 -0.343 6.182 400 HB2 ALA 57 HB2 ALA 57 -12.002 0.807 4.951 401 HB3 ALA 57 HB3 ALA 57 -10.283 0.520 5.220 402 H ALA 58 H ALA 58 -9.029 -0.831 3.057 403 HA ALA 58 HA ALA 58 -9.708 0.963 0.964 404 HB1 ALA 58 HB1 ALA 58 -7.459 0.568 0.131 405 HB2 ALA 58 HB2 ALA 58 -7.293 -0.829 1.195 406 HB3 ALA 58 HB3 ALA 58 -7.435 0.788 1.882 407 H LEU 59 H LEU 59 -9.517 -2.534 1.206 408 HA LEU 59 HA LEU 59 -9.691 -3.140 -1.537 409 HB2 LEU 59 HB2 LEU 59 -9.104 -4.776 0.211 410 HB3 LEU 59 HB3 LEU 59 -10.747 -4.713 0.814 411 HG LEU 59 HG LEU 59 -11.556 -5.637 -1.331 412 HD11 LEU 59 HD11 LEU 59 -8.619 -5.876 -1.982 413 HD12 LEU 59 HD12 LEU 59 -9.778 -4.816 -2.784 414 HD13 LEU 59 HD13 LEU 59 -9.941 -6.568 -2.921 415 HD21 LEU 59 HD21 LEU 59 -9.412 -7.259 0.033 416 HD22 LEU 59 HD22 LEU 59 -10.687 -7.904 -0.999 417 HD23 LEU 59 HD23 LEU 59 -11.099 -7.128 0.532 418 H TYR 60 H TYR 60 -12.167 -2.551 0.909 419 HA TYR 60 HA TYR 60 -14.382 -3.001 -0.848 420 HB2 TYR 60 HB2 TYR 60 -14.094 -1.668 1.849 421 HB3 TYR 60 HB3 TYR 60 -15.623 -1.642 0.977 422 HD1 TYR 60 HD2 TYR 60 -13.061 -3.963 2.364 423 HD2 TYR 60 HD1 TYR 60 -17.095 -3.446 1.121 424 HE1 TYR 60 HE2 TYR 60 -13.617 -6.184 3.262 425 HE2 TYR 60 HE1 TYR 60 -17.663 -5.667 2.010 426 HH TYR 60 HH TYR 60 -16.506 -7.795 2.526 427 H ALA 61 H ALA 61 -12.330 -0.253 -0.155 428 HA ALA 61 HA ALA 61 -13.944 1.700 -1.443 429 HB1 ALA 61 HB1 ALA 61 -12.107 2.355 0.017 430 HB2 ALA 61 HB2 ALA 61 -11.868 3.016 -1.601 431 HB3 ALA 61 HB3 ALA 61 -10.945 1.606 -1.079 432 H VAL 62 H VAL 62 -11.379 -0.471 -2.535 433 HA VAL 62 HA VAL 62 -11.296 0.302 -5.233 434 HB VAL 62 HB VAL 62 -10.744 -2.403 -3.990 435 HG11 VAL 62 HG11 VAL 62 -11.153 -2.661 -6.367 436 HG12 VAL 62 HG12 VAL 62 -9.438 -2.874 -6.020 437 HG13 VAL 62 HG13 VAL 62 -10.015 -1.364 -6.728 438 HG21 VAL 62 HG21 VAL 62 -8.886 -0.150 -4.748 439 HG22 VAL 62 HG22 VAL 62 -8.393 -1.729 -4.134 440 HG23 VAL 62 HG23 VAL 62 -9.324 -0.636 -3.111 441 H LYS 63 H LYS 63 -13.138 -2.303 -3.640 442 HA LYS 63 HA LYS 63 -14.455 -3.153 -5.985 443 HB2 LYS 63 HB2 LYS 63 -15.919 -4.421 -4.513 444 HB3 LYS 63 HB3 LYS 63 -14.263 -4.572 -3.983 445 HG2 LYS 63 HG2 LYS 63 -14.696 -2.960 -2.219 446 HG3 LYS 63 HG3 LYS 63 -16.362 -2.806 -2.770 447 HD2 LYS 63 HD2 LYS 63 -15.254 -5.491 -2.056 448 HD3 LYS 63 HD3 LYS 63 -15.799 -4.394 -0.791 449 HE2 LYS 63 HE2 LYS 63 -17.616 -5.843 -1.311 450 HE3 LYS 63 HE3 LYS 63 -18.000 -4.256 -1.969 451 HZ1 LYS 63 HZ1 LYS 63 -18.510 -6.169 -3.453 452 HZ2 LYS 63 HZ2 LYS 63 -16.843 -6.461 -3.593 453 HZ3 LYS 63 HZ3 LYS 63 -17.502 -5.000 -4.150 454 H LYS 64 H LYS 64 -15.114 -0.595 -3.719 455 HA LYS 64 HA LYS 64 -17.805 -0.126 -4.560 456 HB2 LYS 64 HB2 LYS 64 -16.661 0.608 -2.365 457 HB3 LYS 64 HB3 LYS 64 -16.003 1.938 -3.309 458 HG2 LYS 64 HG2 LYS 64 -17.969 2.688 -2.170 459 HG3 LYS 64 HG3 LYS 64 -18.323 2.595 -3.899 460 HD2 LYS 64 HD2 LYS 64 -19.461 0.487 -3.590 461 HD3 LYS 64 HD3 LYS 64 -19.000 0.449 -1.888 462 HE2 LYS 64 HE2 LYS 64 -20.320 2.513 -1.531 463 HE3 LYS 64 HE3 LYS 64 -20.839 2.437 -3.214 464 HZ1 LYS 64 HZ1 LYS 64 -21.355 0.363 -1.148 465 HZ2 LYS 64 HZ2 LYS 64 -21.865 0.297 -2.765 466 HZ3 LYS 64 HZ3 LYS 64 -22.488 1.485 -1.730 467 H ALA 65 H ALA 65 -14.667 1.345 -5.275 468 HA ALA 65 HA ALA 65 -15.540 3.378 -6.974 469 HB1 ALA 65 HB1 ALA 65 -13.286 3.259 -6.026 470 HB2 ALA 65 HB2 ALA 65 -13.245 3.463 -7.778 471 HB3 ALA 65 HB3 ALA 65 -12.924 1.882 -7.066 472 H SER 66 H SER 66 -14.752 0.003 -7.644 473 HA SER 66 HA SER 66 -14.866 0.100 -10.440 474 HB2 SER 66 HB2 SER 66 -14.058 -1.848 -9.082 475 HB3 SER 66 HB3 SER 66 -15.738 -2.219 -8.695 476 HG SER 66 HG SER 66 -15.951 -3.114 -10.584 477 H GLN 67 H GLN 67 -17.432 -0.314 -8.030 478 HA GLN 67 HA GLN 67 -19.508 -0.686 -9.945 479 HB2 GLN 67 HB2 GLN 67 -19.515 0.034 -7.019 480 HB3 GLN 67 HB3 GLN 67 -20.979 -0.168 -7.954 481 HG2 GLN 67 HG2 GLN 67 -20.192 -2.504 -8.474 482 HG3 GLN 67 HG3 GLN 67 -18.932 -2.243 -7.265 483 HE21 GLN 67 HE21 GLN 67 -19.745 -3.852 -5.897 484 HE22 GLN 67 HE22 GLN 67 -21.207 -3.629 -4.993 485 H LEU 68 H LEU 68 -18.073 2.045 -8.296 486 HA LEU 68 HA LEU 68 -20.177 3.879 -8.949 487 HB2 LEU 68 HB2 LEU 68 -18.628 4.037 -6.969 488 HB3 LEU 68 HB3 LEU 68 -17.363 4.522 -8.080 489 HG LEU 68 HG LEU 68 -18.736 6.496 -8.719 490 HD11 LEU 68 HD11 LEU 68 -20.637 7.107 -7.313 491 HD12 LEU 68 HD12 LEU 68 -20.493 5.578 -6.447 492 HD13 LEU 68 HD13 LEU 68 -20.929 5.586 -8.155 493 HD21 LEU 68 HD21 LEU 68 -16.979 6.673 -7.029 494 HD22 LEU 68 HD22 LEU 68 -18.139 6.238 -5.773 495 HD23 LEU 68 HD23 LEU 68 -18.330 7.746 -6.666 496 H GLY 69 H GLY 69 -17.280 2.792 -10.493 497 HA2 GLY 69 HA2 GLY 69 -16.867 3.050 -12.800 498 HA3 GLY 69 HA3 GLY 69 -17.948 4.437 -12.814 499 H VAL 70 H VAL 70 -15.731 4.391 -10.243 500 HA VAL 70 HA VAL 70 -14.107 6.422 -11.625 501 HB VAL 70 HB VAL 70 -13.639 7.409 -9.422 502 HG11 VAL 70 HG11 VAL 70 -16.580 7.105 -10.018 503 HG12 VAL 70 HG12 VAL 70 -15.486 8.298 -10.720 504 HG13 VAL 70 HG13 VAL 70 -15.868 8.357 -8.999 505 HG21 VAL 70 HG21 VAL 70 -15.607 5.375 -8.368 506 HG22 VAL 70 HG22 VAL 70 -14.903 6.702 -7.443 507 HG23 VAL 70 HG23 VAL 70 -13.874 5.404 -8.048 508 H LYS 71 H LYS 71 -11.875 6.661 -10.572 509 HA LYS 71 HA LYS 71 -10.797 4.144 -9.576 510 HB2 LYS 71 HB2 LYS 71 -9.095 3.984 -11.273 511 HB3 LYS 71 HB3 LYS 71 -10.665 4.032 -12.064 512 HG2 LYS 71 HG2 LYS 71 -10.330 6.443 -12.491 513 HG3 LYS 71 HG3 LYS 71 -8.711 6.302 -11.805 514 HD2 LYS 71 HD2 LYS 71 -8.569 6.180 -14.201 515 HD3 LYS 71 HD3 LYS 71 -8.185 4.597 -13.526 516 HE2 LYS 71 HE2 LYS 71 -10.390 3.786 -14.051 517 HE3 LYS 71 HE3 LYS 71 -10.899 5.391 -14.574 518 HZ1 LYS 71 HZ1 LYS 71 -10.398 4.008 -16.465 519 HZ2 LYS 71 HZ2 LYS 71 -8.835 3.695 -15.883 520 HZ3 LYS 71 HZ3 LYS 71 -9.264 5.264 -16.366 521 H ILE 72 H ILE 72 -8.487 4.405 -8.943 522 HA ILE 72 HA ILE 72 -7.789 7.204 -8.367 523 HB ILE 72 HB ILE 72 -6.874 6.579 -6.175 524 HG12 ILE 72 HG12 ILE 72 -8.027 4.263 -5.360 525 HG13 ILE 72 HG13 ILE 72 -7.671 3.864 -7.033 526 HG21 ILE 72 HG21 ILE 72 -9.096 7.505 -6.265 527 HG22 ILE 72 HG22 ILE 72 -9.009 6.293 -4.987 528 HG23 ILE 72 HG23 ILE 72 -9.787 5.903 -6.521 529 HD11 ILE 72 HD11 ILE 72 -5.873 3.157 -5.601 530 HD12 ILE 72 HD12 ILE 72 -5.695 4.794 -4.971 531 HD13 ILE 72 HD13 ILE 72 -5.326 4.454 -6.661 532 H ARG 73 H ARG 73 -5.353 7.237 -7.597 533 HA ARG 73 HA ARG 73 -3.886 5.424 -9.406 534 HB2 ARG 73 HB2 ARG 73 -3.171 8.313 -8.889 535 HB3 ARG 73 HB3 ARG 73 -2.437 7.226 -10.060 536 HG2 ARG 73 HG2 ARG 73 -4.557 7.154 -11.296 537 HG3 ARG 73 HG3 ARG 73 -5.253 8.291 -10.140 538 HD2 ARG 73 HD2 ARG 73 -3.362 9.854 -10.739 539 HD3 ARG 73 HD3 ARG 73 -2.989 8.755 -12.064 540 HE ARG 73 HE ARG 73 -5.733 9.667 -11.991 541 HH11 ARG 73 HH11 ARG 73 -2.493 10.218 -13.233 542 HH12 ARG 73 HH12 ARG 73 -3.025 11.278 -14.509 543 HH21 ARG 73 HH21 ARG 73 -6.426 11.087 -13.657 544 HH22 ARG 73 HH22 ARG 73 -5.251 11.792 -14.728 545 H ILE 74 H ILE 74 -2.193 4.384 -8.502 546 HA ILE 74 HA ILE 74 -1.451 5.150 -5.788 547 HB ILE 74 HB ILE 74 -1.862 2.801 -6.045 548 HG12 ILE 74 HG12 ILE 74 1.122 3.259 -5.838 549 HG13 ILE 74 HG13 ILE 74 -0.033 3.490 -4.529 550 HG21 ILE 74 HG21 ILE 74 -0.575 1.364 -7.530 551 HG22 ILE 74 HG22 ILE 74 0.258 2.775 -8.182 552 HG23 ILE 74 HG23 ILE 74 -1.477 2.581 -8.433 553 HD11 ILE 74 HD11 ILE 74 -0.578 1.125 -4.573 554 HD12 ILE 74 HD12 ILE 74 1.153 1.369 -4.339 555 HD13 ILE 74 HD13 ILE 74 0.537 0.882 -5.918 556 H LEU 75 H LEU 75 0.273 6.292 -5.347 557 HA LEU 75 HA LEU 75 1.799 7.267 -7.620 558 HB2 LEU 75 HB2 LEU 75 0.592 8.706 -5.859 559 HB3 LEU 75 HB3 LEU 75 1.910 8.289 -4.787 560 HG LEU 75 HG LEU 75 2.080 10.534 -5.916 561 HD11 LEU 75 HD11 LEU 75 4.463 10.349 -6.407 562 HD12 LEU 75 HD12 LEU 75 4.323 8.591 -6.436 563 HD13 LEU 75 HD13 LEU 75 4.038 9.474 -4.935 564 HD21 LEU 75 HD21 LEU 75 1.233 9.904 -8.101 565 HD22 LEU 75 HD22 LEU 75 2.613 8.835 -8.345 566 HD23 LEU 75 HD23 LEU 75 2.858 10.577 -8.233 567 H HIS 76 H HIS 76 3.321 5.759 -8.048 568 HA HIS 76 HA HIS 76 5.443 4.995 -8.019 569 HB2 HIS 76 HB2 HIS 76 6.207 7.110 -7.260 570 HB3 HIS 76 HB3 HIS 76 5.627 6.817 -5.627 571 HD1 HIS 76 HD1 HIS 76 8.039 4.916 -7.905 572 HD2 HIS 76 HD2 HIS 76 7.754 6.426 -4.038 573 HE1 HIS 76 HE1 HIS 76 10.185 4.273 -6.758 574 HE2 HIS 76 HE2 HIS 76 9.888 5.006 -4.363 575 H ASP 77 H ASP 77 4.546 2.912 -7.700 576 HA ASP 77 HA ASP 77 5.999 1.620 -5.600 577 HB2 ASP 77 HB2 ASP 77 3.874 1.996 -4.414 578 HB3 ASP 77 HB3 ASP 77 2.998 1.203 -5.720 579 H TYR 78 H TYR 78 6.074 -0.685 -5.915 580 HA TYR 78 HA TYR 78 5.086 -1.850 -8.333 581 HB2 TYR 78 HB2 TYR 78 6.929 -0.550 -9.298 582 HB3 TYR 78 HB3 TYR 78 8.050 -1.240 -8.129 583 HD1 TYR 78 HD1 TYR 78 5.865 -2.081 -11.004 584 HD2 TYR 78 HD2 TYR 78 9.113 -3.302 -8.545 585 HE1 TYR 78 HE1 TYR 78 6.327 -3.935 -12.548 586 HE2 TYR 78 HE2 TYR 78 9.586 -5.162 -10.081 587 HH TYR 78 HH TYR 78 8.312 -6.535 -11.754 588 H ALA 79 H ALA 79 7.088 -1.890 -5.495 589 HA ALA 79 HA ALA 79 7.370 -4.785 -5.571 590 HB1 ALA 79 HB1 ALA 79 8.419 -2.790 -3.568 591 HB2 ALA 79 HB2 ALA 79 9.312 -3.453 -4.937 592 HB3 ALA 79 HB3 ALA 79 8.805 -4.511 -3.620 593 H GLY 80 H GLY 80 5.647 -2.280 -3.790 594 HA2 GLY 80 HA2 GLY 80 4.863 -3.848 -1.575 595 HA3 GLY 80 HA3 GLY 80 4.057 -2.391 -2.140 596 H ILE 81 H ILE 81 2.965 -2.919 -4.443 597 HA ILE 81 HA ILE 81 0.834 -4.674 -3.874 598 HB ILE 81 HB ILE 81 0.245 -4.374 -6.324 599 HG12 ILE 81 HG12 ILE 81 1.487 -2.229 -7.226 600 HG13 ILE 81 HG13 ILE 81 2.796 -2.802 -6.198 601 HG21 ILE 81 HG21 ILE 81 -0.486 -2.078 -5.994 602 HG22 ILE 81 HG22 ILE 81 0.630 -1.910 -4.639 603 HG23 ILE 81 HG23 ILE 81 -0.719 -3.042 -4.537 604 HD11 ILE 81 HD11 ILE 81 2.817 -4.920 -7.412 605 HD12 ILE 81 HD12 ILE 81 3.072 -3.548 -8.491 606 HD13 ILE 81 HD13 ILE 81 1.501 -4.346 -8.436 607 H ALA 82 H ALA 82 3.939 -5.287 -5.149 608 HA ALA 82 HA ALA 82 3.242 -7.532 -6.780 609 HB1 ALA 82 HB1 ALA 82 5.936 -6.732 -5.697 610 HB2 ALA 82 HB2 ALA 82 5.235 -6.170 -7.216 611 HB3 ALA 82 HB3 ALA 82 5.627 -7.877 -7.003 612 H PHE 83 H PHE 83 4.033 -7.087 -3.407 613 HA PHE 83 HA PHE 83 4.966 -9.651 -2.794 614 HB2 PHE 83 HB2 PHE 83 3.418 -7.681 -1.112 615 HB3 PHE 83 HB3 PHE 83 4.105 -9.169 -0.473 616 HD1 PHE 83 HD1 PHE 83 6.708 -9.418 -1.440 617 HD2 PHE 83 HD2 PHE 83 4.618 -5.828 -0.513 618 HE1 PHE 83 HE1 PHE 83 8.852 -8.273 -1.052 619 HE2 PHE 83 HE2 PHE 83 6.757 -4.679 -0.123 620 HZ PHE 83 HZ PHE 83 8.876 -5.899 -0.391 621 H TRP 84 H TRP 84 1.641 -8.393 -2.669 622 HA TRP 84 HA TRP 84 0.534 -10.935 -1.984 623 HB2 TRP 84 HB2 TRP 84 -0.838 -8.459 -3.046 624 HB3 TRP 84 HB3 TRP 84 -1.639 -9.847 -2.311 625 HD1 TRP 84 HD1 TRP 84 -0.719 -10.342 0.354 626 HE1 TRP 84 HE1 TRP 84 -0.348 -8.599 2.208 627 HE3 TRP 84 HE3 TRP 84 -0.340 -6.137 -2.537 628 HZ2 TRP 84 HZ2 TRP 84 0.040 -5.820 2.420 629 HZ3 TRP 84 HZ3 TRP 84 0.027 -3.976 -1.424 630 HH2 TRP 84 HH2 TRP 84 0.212 -3.823 1.004 631 H ALA 85 H ALA 85 1.334 -9.335 -4.940 632 HA ALA 85 HA ALA 85 -0.363 -10.885 -6.638 633 HB1 ALA 85 HB1 ALA 85 0.448 -8.665 -7.284 634 HB2 ALA 85 HB2 ALA 85 0.884 -9.892 -8.474 635 HB3 ALA 85 HB3 ALA 85 2.097 -9.287 -7.345 636 H THR 86 H THR 86 3.020 -11.110 -5.616 637 HA THR 86 HA THR 86 3.444 -13.488 -7.210 638 HB THR 86 HB THR 86 5.302 -11.872 -6.803 639 HG1 THR 86 HG1 THR 86 5.480 -14.599 -6.117 640 HG21 THR 86 HG21 THR 86 4.832 -11.284 -4.484 641 HG22 THR 86 HG22 THR 86 6.468 -11.925 -4.637 642 HG23 THR 86 HG23 THR 86 5.184 -12.936 -3.977 643 H GLY 87 H GLY 87 1.990 -12.798 -4.298 644 HA2 GLY 87 HA2 GLY 87 1.010 -14.190 -2.765 645 HA3 GLY 87 HA3 GLY 87 1.601 -15.553 -3.702 646 H GLU 88 H GLU 88 2.826 -12.998 -1.520 647 HA GLU 88 HA GLU 88 5.030 -14.558 -0.644 648 HB2 GLU 88 HB2 GLU 88 5.329 -12.893 1.095 649 HB3 GLU 88 HB3 GLU 88 5.028 -12.114 -0.447 650 HG2 GLU 88 HG2 GLU 88 2.855 -11.474 0.182 651 HG3 GLU 88 HG3 GLU 88 2.852 -12.566 1.567 652 H TRP 89 H TRP 89 1.724 -14.682 0.038 653 HA TRP 89 HA TRP 89 2.060 -15.839 2.676 654 HB2 TRP 89 HB2 TRP 89 -0.448 -16.063 2.599 655 HB3 TRP 89 HB3 TRP 89 0.151 -14.417 2.470 656 HD1 TRP 89 HD1 TRP 89 -0.410 -17.030 -0.372 657 HE1 TRP 89 HE1 TRP 89 -1.967 -15.963 -2.124 658 HE3 TRP 89 HE3 TRP 89 -1.361 -12.583 1.975 659 HZ2 TRP 89 HZ2 TRP 89 -3.408 -13.575 -2.462 660 HZ3 TRP 89 HZ3 TRP 89 -2.852 -10.968 0.866 661 HH2 TRP 89 HH2 TRP 89 -3.852 -11.455 -1.305 662 H LYS 90 H LYS 90 1.475 -17.960 3.217 663 HA LYS 90 HA LYS 90 1.558 -19.824 0.973 664 HB2 LYS 90 HB2 LYS 90 1.811 -21.523 2.925 665 HB3 LYS 90 HB3 LYS 90 3.175 -20.517 2.468 666 HG2 LYS 90 HG2 LYS 90 2.172 -18.939 4.341 667 HG3 LYS 90 HG3 LYS 90 1.522 -20.474 4.926 668 HD2 LYS 90 HD2 LYS 90 3.691 -20.020 5.944 669 HD3 LYS 90 HD3 LYS 90 3.788 -21.432 4.888 670 HE2 LYS 90 HE2 LYS 90 4.704 -19.993 3.100 671 HE3 LYS 90 HE3 LYS 90 4.659 -18.623 4.206 672 HZ1 LYS 90 HZ1 LYS 90 6.230 -19.759 5.639 673 HZ2 LYS 90 HZ2 LYS 90 6.867 -19.599 4.076 674 HZ3 LYS 90 HZ3 LYS 90 6.260 -21.098 4.594 675 H ALA 91 H ALA 91 -0.136 -20.962 0.366 676 HA ALA 91 HA ALA 91 -2.658 -19.951 1.210 677 HB1 ALA 91 HB1 ALA 91 -2.026 -22.119 -0.785 678 HB2 ALA 91 HB2 ALA 91 -2.124 -20.394 -1.134 679 HB3 ALA 91 HB3 ALA 91 -3.562 -21.269 -0.615 680 H LYS 92 H LYS 92 -3.982 -20.729 2.687 681 HA LYS 92 HA LYS 92 -3.787 -23.511 3.543 682 HB2 LYS 92 HB2 LYS 92 -5.317 -21.124 4.559 683 HB3 LYS 92 HB3 LYS 92 -5.728 -22.751 5.083 684 HG2 LYS 92 HG2 LYS 92 -3.434 -23.033 5.935 685 HG3 LYS 92 HG3 LYS 92 -3.071 -21.374 5.454 686 HD2 LYS 92 HD2 LYS 92 -4.548 -20.473 7.039 687 HD3 LYS 92 HD3 LYS 92 -5.365 -22.018 7.281 688 HE2 LYS 92 HE2 LYS 92 -3.962 -21.521 9.186 689 HE3 LYS 92 HE3 LYS 92 -3.322 -22.912 8.319 690 HZ1 LYS 92 HZ1 LYS 92 -2.295 -20.136 8.091 691 HZ2 LYS 92 HZ2 LYS 92 -1.656 -21.495 7.313 692 HZ3 LYS 92 HZ3 LYS 92 -1.581 -21.370 9.002 693 H ASN 93 H ASN 93 -5.241 -21.739 1.188 694 HA ASN 93 HA ASN 93 -7.121 -23.834 0.550 695 HB2 ASN 93 HB2 ASN 93 -9.010 -22.226 0.223 696 HB3 ASN 93 HB3 ASN 93 -8.559 -22.441 1.908 697 HD21 ASN 93 HD21 ASN 93 -9.451 -20.506 2.538 698 HD22 ASN 93 HD22 ASN 93 -8.746 -18.973 2.135 699 H GLU 94 H GLU 94 -8.278 -23.107 -1.624 700 HA GLU 94 HA GLU 94 -6.079 -22.524 -3.407 701 HB2 GLU 94 HB2 GLU 94 -7.606 -23.081 -5.213 702 HB3 GLU 94 HB3 GLU 94 -7.686 -24.310 -3.962 703 HG2 GLU 94 HG2 GLU 94 -9.673 -22.067 -4.183 704 HG3 GLU 94 HG3 GLU 94 -9.872 -23.618 -4.994 705 H PHE 95 H PHE 95 -8.662 -20.838 -1.950 706 HA PHE 95 HA PHE 95 -9.182 -18.860 -3.861 707 HB2 PHE 95 HB2 PHE 95 -10.578 -19.307 -1.847 708 HB3 PHE 95 HB3 PHE 95 -9.329 -18.566 -0.852 709 HD1 PHE 95 HD2 PHE 95 -11.818 -17.932 -3.500 710 HD2 PHE 95 HD1 PHE 95 -9.158 -16.214 -0.656 711 HE1 PHE 95 HE2 PHE 95 -12.850 -15.730 -3.868 712 HE2 PHE 95 HE1 PHE 95 -10.188 -14.009 -1.019 713 HZ PHE 95 HZ PHE 95 -12.036 -13.764 -2.626 714 H THR 96 H THR 96 -6.851 -18.885 -1.173 715 HA THR 96 HA THR 96 -5.900 -16.260 -1.624 716 HB THR 96 HB THR 96 -3.842 -17.173 -0.328 717 HG1 THR 96 HG1 THR 96 -5.695 -19.262 0.254 718 HG21 THR 96 HG21 THR 96 -6.601 -17.167 0.902 719 HG22 THR 96 HG22 THR 96 -5.563 -15.760 0.667 720 HG23 THR 96 HG23 THR 96 -5.084 -17.033 1.790 721 H GLN 97 H GLN 97 -4.840 -19.415 -2.804 722 HA GLN 97 HA GLN 97 -2.508 -18.553 -4.120 723 HB2 GLN 97 HB2 GLN 97 -3.890 -20.950 -3.725 724 HB3 GLN 97 HB3 GLN 97 -3.868 -20.728 -5.468 725 HG2 GLN 97 HG2 GLN 97 -1.429 -20.625 -3.716 726 HG3 GLN 97 HG3 GLN 97 -1.991 -22.060 -4.564 727 HE21 GLN 97 HE21 GLN 97 -1.875 -22.122 -6.831 728 HE22 GLN 97 HE22 GLN 97 -0.822 -21.056 -7.710 729 H ALA 98 H ALA 98 -5.849 -18.964 -5.229 730 HA ALA 98 HA ALA 98 -5.335 -18.149 -7.905 731 HB1 ALA 98 HB1 ALA 98 -7.944 -18.228 -6.392 732 HB2 ALA 98 HB2 ALA 98 -7.240 -19.559 -7.310 733 HB3 ALA 98 HB3 ALA 98 -7.763 -18.093 -8.141 734 H TYR 99 H TYR 99 -6.236 -16.460 -4.969 735 HA TYR 99 HA TYR 99 -7.155 -14.068 -6.110 736 HB2 TYR 99 HB2 TYR 99 -7.374 -14.762 -3.691 737 HB3 TYR 99 HB3 TYR 99 -5.687 -14.305 -3.477 738 HD1 TYR 99 HD2 TYR 99 -9.020 -12.985 -4.427 739 HD2 TYR 99 HD1 TYR 99 -5.088 -12.060 -3.091 740 HE1 TYR 99 HE2 TYR 99 -9.709 -10.660 -4.027 741 HE2 TYR 99 HE1 TYR 99 -5.766 -9.731 -2.687 742 HH TYR 99 HH TYR 99 -7.512 -8.158 -3.497 743 H ALA 100 H ALA 100 -3.918 -15.236 -5.462 744 HA ALA 100 HA ALA 100 -2.537 -12.806 -5.890 745 HB1 ALA 100 HB1 ALA 100 -1.487 -14.754 -4.839 746 HB2 ALA 100 HB2 ALA 100 -0.561 -14.204 -6.236 747 HB3 ALA 100 HB3 ALA 100 -1.586 -15.632 -6.363 748 H LYS 101 H LYS 101 -3.910 -15.187 -8.028 749 HA LYS 101 HA LYS 101 -2.614 -14.130 -10.393 750 HB2 LYS 101 HB2 LYS 101 -4.932 -16.065 -10.214 751 HB3 LYS 101 HB3 LYS 101 -3.883 -15.796 -11.600 752 HG2 LYS 101 HG2 LYS 101 -3.031 -16.968 -8.960 753 HG3 LYS 101 HG3 LYS 101 -3.360 -17.877 -10.436 754 HD2 LYS 101 HD2 LYS 101 -1.552 -16.671 -11.571 755 HD3 LYS 101 HD3 LYS 101 -1.210 -15.793 -10.079 756 HE2 LYS 101 HE2 LYS 101 0.335 -17.653 -10.365 757 HE3 LYS 101 HE3 LYS 101 -0.694 -17.900 -8.955 758 HZ1 LYS 101 HZ1 LYS 101 -2.079 -19.386 -10.275 759 HZ2 LYS 101 HZ2 LYS 101 -0.474 -19.925 -10.256 760 HZ3 LYS 101 HZ3 LYS 101 -1.088 -19.142 -11.631 761 H LEU 102 H LEU 102 -5.780 -14.064 -8.847 762 HA LEU 102 HA LEU 102 -7.051 -12.578 -10.928 763 HB2 LEU 102 HB2 LEU 102 -7.800 -13.439 -8.174 764 HB3 LEU 102 HB3 LEU 102 -8.730 -12.160 -8.926 765 HG LEU 102 HG LEU 102 -9.245 -13.683 -10.817 766 HD11 LEU 102 HD11 LEU 102 -7.903 -15.784 -9.125 767 HD12 LEU 102 HD12 LEU 102 -7.300 -15.150 -10.655 768 HD13 LEU 102 HD13 LEU 102 -8.806 -16.065 -10.613 769 HD21 LEU 102 HD21 LEU 102 -10.805 -13.434 -8.974 770 HD22 LEU 102 HD22 LEU 102 -9.984 -14.715 -8.083 771 HD23 LEU 102 HD23 LEU 102 -10.825 -15.085 -9.588 772 H MET 103 H MET 103 -4.834 -11.682 -8.583 773 HA MET 103 HA MET 103 -5.662 -9.114 -7.855 774 HB2 MET 103 HB2 MET 103 -3.713 -10.326 -6.899 775 HB3 MET 103 HB3 MET 103 -2.840 -10.066 -8.399 776 HG2 MET 103 HG2 MET 103 -3.897 -7.771 -6.790 777 HG3 MET 103 HG3 MET 103 -2.352 -8.529 -6.414 778 HE1 MET 103 HE1 MET 103 -1.144 -6.172 -6.688 779 HE2 MET 103 HE2 MET 103 -2.696 -5.424 -7.062 780 HE3 MET 103 HE3 MET 103 -1.309 -5.154 -8.116 781 H ASN 104 H ASN 104 -3.947 -10.272 -10.700 782 HA ASN 104 HA ASN 104 -3.469 -7.729 -11.871 783 HB2 ASN 104 HB2 ASN 104 -2.275 -9.891 -12.408 784 HB3 ASN 104 HB3 ASN 104 -3.707 -10.386 -13.297 785 HD21 ASN 104 HD21 ASN 104 -2.648 -10.505 -15.244 786 HD22 ASN 104 HD22 ASN 104 -2.104 -9.098 -16.098 787 H GLN 105 H GLN 105 -6.143 -9.930 -11.868 788 HA GLN 105 HA GLN 105 -7.509 -9.114 -14.156 789 HB2 GLN 105 HB2 GLN 105 -7.849 -11.113 -12.524 790 HB3 GLN 105 HB3 GLN 105 -8.898 -10.006 -11.656 791 HG2 GLN 105 HG2 GLN 105 -9.321 -10.390 -14.568 792 HG3 GLN 105 HG3 GLN 105 -9.818 -11.654 -13.450 793 HE21 GLN 105 HE21 GLN 105 -10.392 -8.410 -14.550 794 HE22 GLN 105 HE22 GLN 105 -11.907 -8.192 -13.742 795 H TYR 106 H TYR 106 -7.761 -7.933 -10.782 796 HA TYR 106 HA TYR 106 -9.777 -6.041 -11.681 797 HB2 TYR 106 HB2 TYR 106 -10.040 -5.458 -9.283 798 HB3 TYR 106 HB3 TYR 106 -10.355 -7.143 -9.649 799 HD1 TYR 106 HD1 TYR 106 -7.661 -4.896 -8.351 800 HD2 TYR 106 HD2 TYR 106 -9.377 -8.789 -8.347 801 HE1 TYR 106 HE1 TYR 106 -6.156 -5.553 -6.521 802 HE2 TYR 106 HE2 TYR 106 -7.875 -9.456 -6.520 803 HH TYR 106 HH TYR 106 -5.703 -8.774 -5.575 804 H ARG 107 H ARG 107 -6.672 -5.888 -12.086 805 HA ARG 107 HA ARG 107 -6.075 -3.310 -11.017 806 HB2 ARG 107 HB2 ARG 107 -4.834 -4.760 -13.366 807 HB3 ARG 107 HB3 ARG 107 -4.200 -3.305 -12.620 808 HG2 ARG 107 HG2 ARG 107 -4.301 -4.856 -10.457 809 HG3 ARG 107 HG3 ARG 107 -4.116 -6.107 -11.687 810 HD2 ARG 107 HD2 ARG 107 -2.282 -3.796 -11.092 811 HD3 ARG 107 HD3 ARG 107 -1.932 -5.517 -10.959 812 HE ARG 107 HE ARG 107 -2.593 -4.589 -13.627 813 HH11 ARG 107 HH11 ARG 107 -0.049 -5.291 -11.316 814 HH12 ARG 107 HH12 ARG 107 1.202 -5.378 -12.516 815 HH21 ARG 107 HH21 ARG 107 -0.967 -4.696 -15.208 816 HH22 ARG 107 HH22 ARG 107 0.678 -5.039 -14.748 817 H GLY 108 H GLY 108 -6.919 -1.470 -11.653 818 HA2 GLY 108 HA2 GLY 108 -7.354 -0.372 -14.070 819 HA3 GLY 108 HA3 GLY 108 -8.741 -1.446 -13.902 820 H ILE 109 H ILE 109 -8.932 -1.171 -11.046 821 HA ILE 109 HA ILE 109 -10.240 1.359 -10.753 822 HB ILE 109 HB ILE 109 -9.439 -0.695 -8.670 823 HG12 ILE 109 HG12 ILE 109 -12.006 -0.964 -8.589 824 HG13 ILE 109 HG13 ILE 109 -12.010 -0.121 -10.133 825 HG21 ILE 109 HG21 ILE 109 -9.574 1.493 -7.634 826 HG22 ILE 109 HG22 ILE 109 -10.934 0.490 -7.130 827 HG23 ILE 109 HG23 ILE 109 -11.170 1.751 -8.340 828 HD11 ILE 109 HD11 ILE 109 -10.592 -2.709 -9.547 829 HD12 ILE 109 HD12 ILE 109 -10.623 -1.872 -11.098 830 HD13 ILE 109 HD13 ILE 109 -12.114 -2.531 -10.421 831 H TYR 110 H TYR 110 -7.075 0.081 -10.196 832 HA TYR 110 HA TYR 110 -6.083 2.780 -9.903 833 HB2 TYR 110 HB2 TYR 110 -4.730 2.318 -7.951 834 HB3 TYR 110 HB3 TYR 110 -6.409 1.971 -7.570 835 HD1 TYR 110 HD2 TYR 110 -7.160 -0.476 -7.599 836 HD2 TYR 110 HD1 TYR 110 -3.068 0.693 -7.652 837 HE1 TYR 110 HE2 TYR 110 -6.512 -2.718 -6.824 838 HE2 TYR 110 HE1 TYR 110 -2.414 -1.545 -6.877 839 HH TYR 110 HH TYR 110 -3.445 -3.437 -5.640 840 H SER 111 H SER 111 -4.039 3.031 -10.721 841 HA SER 111 HA SER 111 -2.482 0.652 -11.384 842 HB2 SER 111 HB2 SER 111 -3.813 1.322 -13.420 843 HB3 SER 111 HB3 SER 111 -2.983 2.879 -13.384 844 HG SER 111 HG SER 111 -2.030 1.268 -14.800 845 H PHE 112 H PHE 112 -0.211 1.291 -11.956 846 HA PHE 112 HA PHE 112 0.533 3.667 -10.390 847 HB2 PHE 112 HB2 PHE 112 2.681 2.491 -9.910 848 HB3 PHE 112 HB3 PHE 112 1.273 1.682 -9.241 849 HD1 PHE 112 HD2 PHE 112 0.472 -0.426 -10.214 850 HD2 PHE 112 HD1 PHE 112 4.032 1.463 -11.587 851 HE1 PHE 112 HE2 PHE 112 1.160 -2.524 -11.297 852 HE2 PHE 112 HE1 PHE 112 4.730 -0.634 -12.670 853 HZ PHE 112 HZ PHE 112 3.292 -2.629 -12.526 854 H GLU 113 H GLU 113 1.912 5.109 -11.232 855 HA GLU 113 HA GLU 113 3.177 4.495 -13.803 856 HB2 GLU 113 HB2 GLU 113 0.987 6.230 -13.500 857 HB3 GLU 113 HB3 GLU 113 2.391 7.276 -13.660 858 HG2 GLU 113 HG2 GLU 113 1.653 5.074 -15.573 859 HG3 GLU 113 HG3 GLU 113 1.302 6.784 -15.809 860 H LYS 114 H LYS 114 5.073 5.744 -14.232 861 HA LYS 114 HA LYS 114 6.534 6.147 -11.790 862 HB2 LYS 114 HB2 LYS 114 7.417 6.333 -14.668 863 HB3 LYS 114 HB3 LYS 114 8.474 6.332 -13.268 864 HG2 LYS 114 HG2 LYS 114 7.587 4.090 -12.672 865 HG3 LYS 114 HG3 LYS 114 6.706 4.093 -14.201 866 HD2 LYS 114 HD2 LYS 114 8.864 4.377 -15.386 867 HD3 LYS 114 HD3 LYS 114 9.694 4.240 -13.834 868 HE2 LYS 114 HE2 LYS 114 8.639 2.012 -13.535 869 HE3 LYS 114 HE3 LYS 114 7.979 2.151 -15.165 870 HZ1 LYS 114 HZ1 LYS 114 10.327 2.421 -15.938 871 HZ2 LYS 114 HZ2 LYS 114 9.950 0.893 -15.312 872 HZ3 LYS 114 HZ3 LYS 114 10.834 1.996 -14.374 873 H VAL 115 H VAL 115 6.520 7.972 -10.776 874 HA VAL 115 HA VAL 115 6.160 10.493 -12.229 875 HB VAL 115 HB VAL 115 4.634 10.001 -10.334 876 HG11 VAL 115 HG11 VAL 115 7.121 10.126 -8.638 877 HG12 VAL 115 HG12 VAL 115 6.151 8.690 -8.962 878 HG13 VAL 115 HG13 VAL 115 5.465 10.029 -8.040 879 HG21 VAL 115 HG21 VAL 115 4.878 12.140 -9.158 880 HG22 VAL 115 HG22 VAL 115 5.073 12.318 -10.902 881 HG23 VAL 115 HG23 VAL 115 6.489 12.330 -9.850 882 H LYS 116 H LYS 116 7.609 12.280 -11.795 883 HA LYS 116 HA LYS 116 10.258 11.396 -10.907 884 HB2 LYS 116 HB2 LYS 116 11.227 13.143 -12.139 885 HB3 LYS 116 HB3 LYS 116 9.927 12.572 -13.172 886 HG2 LYS 116 HG2 LYS 116 9.657 14.947 -11.346 887 HG3 LYS 116 HG3 LYS 116 10.198 15.063 -13.019 888 HD2 LYS 116 HD2 LYS 116 7.587 13.807 -12.210 889 HD3 LYS 116 HD3 LYS 116 7.754 15.515 -12.613 890 HE2 LYS 116 HE2 LYS 116 8.603 14.897 -14.830 891 HE3 LYS 116 HE3 LYS 116 8.414 13.193 -14.423 892 HZ1 LYS 116 HZ1 LYS 116 6.559 13.991 -15.737 893 HZ2 LYS 116 HZ2 LYS 116 6.216 15.190 -14.587 894 HZ3 LYS 116 HZ3 LYS 116 6.034 13.555 -14.184 895 H ALA 117 H ALA 117 11.477 12.798 -9.475 896 HA ALA 117 HA ALA 117 9.782 14.508 -7.786 897 HB1 ALA 117 HB1 ALA 117 10.770 13.559 -5.773 898 HB2 ALA 117 HB2 ALA 117 11.726 12.447 -6.751 899 HB3 ALA 117 HB3 ALA 117 9.969 12.301 -6.718 900 H HIS 118 H HIS 118 10.620 16.471 -8.005 901 HA HIS 118 HA HIS 118 13.311 17.032 -8.643 902 HB2 HIS 118 HB2 HIS 118 11.428 18.597 -9.048 903 HB3 HIS 118 HB3 HIS 118 11.274 18.838 -7.312 904 HD1 HIS 118 HD1 HIS 118 13.705 19.485 -10.147 905 HD2 HIS 118 HD2 HIS 118 12.935 20.744 -6.255 906 HE1 HIS 118 HE1 HIS 118 15.193 21.480 -9.770 907 HE2 HIS 118 HE2 HIS 118 14.827 22.125 -7.358 908 H SER 119 H SER 119 11.536 16.887 -5.606 909 HA SER 119 HA SER 119 14.057 16.474 -4.209 910 HB2 SER 119 HB2 SER 119 13.246 18.077 -2.380 911 HB3 SER 119 HB3 SER 119 13.855 18.809 -3.865 912 HG SER 119 HG SER 119 12.005 19.807 -3.867 913 H GLY 120 H GLY 120 10.567 16.319 -4.310 914 HA2 GLY 120 HA2 GLY 120 9.462 14.301 -3.567 915 HA3 GLY 120 HA3 GLY 120 10.672 14.167 -2.296 916 H ASN 121 H ASN 121 7.551 14.690 -2.653 917 HA ASN 121 HA ASN 121 7.160 17.101 -1.148 918 HB2 ASN 121 HB2 ASN 121 5.301 14.893 -2.014 919 HB3 ASN 121 HB3 ASN 121 4.762 16.217 -0.990 920 HD21 ASN 121 HD21 ASN 121 6.395 18.233 -2.249 921 HD22 ASN 121 HD22 ASN 121 5.676 18.537 -3.799 922 H GLU 122 H GLU 122 6.014 17.174 0.915 923 HA GLU 122 HA GLU 122 7.317 15.777 2.945 924 HB2 GLU 122 HB2 GLU 122 4.683 17.254 2.980 925 HB3 GLU 122 HB3 GLU 122 5.454 16.621 4.423 926 HG2 GLU 122 HG2 GLU 122 5.936 18.947 4.264 927 HG3 GLU 122 HG3 GLU 122 7.419 18.050 3.948 928 H PHE 123 H PHE 123 4.390 15.073 1.211 929 HA PHE 123 HA PHE 123 3.354 13.074 2.910 930 HB2 PHE 123 HB2 PHE 123 2.991 13.439 -0.073 931 HB3 PHE 123 HB3 PHE 123 1.997 12.415 0.958 932 HD1 PHE 123 HD2 PHE 123 2.829 15.861 0.047 933 HD2 PHE 123 HD1 PHE 123 0.352 13.364 2.442 934 HE1 PHE 123 HE2 PHE 123 1.364 17.776 0.520 935 HE2 PHE 123 HE1 PHE 123 -1.123 15.277 2.917 936 HZ PHE 123 HZ PHE 123 -0.614 17.487 1.957 937 H ASN 124 H ASN 124 5.731 13.027 0.332 938 HA ASN 124 HA ASN 124 5.882 10.172 0.161 939 HB2 ASN 124 HB2 ASN 124 6.562 11.654 -1.714 940 HB3 ASN 124 HB3 ASN 124 7.900 12.248 -0.736 941 HD21 ASN 124 HD21 ASN 124 9.686 10.940 -0.394 942 HD22 ASN 124 HD22 ASN 124 9.955 9.476 -1.286 943 H ASP 125 H ASP 125 7.682 12.714 1.814 944 HA ASP 125 HA ASP 125 9.702 11.124 2.935 945 HB2 ASP 125 HB2 ASP 125 9.961 13.493 2.974 946 HB3 ASP 125 HB3 ASP 125 8.439 13.716 3.832 947 H TYR 126 H TYR 126 6.411 11.742 3.949 948 HA TYR 126 HA TYR 126 6.568 10.832 6.596 949 HB2 TYR 126 HB2 TYR 126 4.635 11.996 5.171 950 HB3 TYR 126 HB3 TYR 126 4.087 10.332 5.023 951 HD1 TYR 126 HD2 TYR 126 4.905 9.344 7.766 952 HD2 TYR 126 HD1 TYR 126 2.957 12.913 6.514 953 HE1 TYR 126 HE2 TYR 126 3.826 9.521 9.968 954 HE2 TYR 126 HE1 TYR 126 1.877 13.100 8.713 955 HH TYR 126 HH TYR 126 2.823 11.244 11.397 956 H VAL 127 H VAL 127 5.599 9.100 3.632 957 HA VAL 127 HA VAL 127 5.395 6.589 5.001 958 HB VAL 127 HB VAL 127 3.987 7.056 3.056 959 HG11 VAL 127 HG11 VAL 127 5.501 8.416 1.747 960 HG12 VAL 127 HG12 VAL 127 4.919 7.053 0.790 961 HG13 VAL 127 HG13 VAL 127 6.546 7.024 1.471 962 HG21 VAL 127 HG21 VAL 127 4.326 4.945 1.840 963 HG22 VAL 127 HG22 VAL 127 4.430 4.738 3.589 964 HG23 VAL 127 HG23 VAL 127 5.900 4.770 2.616 965 H ASP 128 H ASP 128 7.815 8.263 3.126 966 HA ASP 128 HA ASP 128 9.689 6.266 2.662 967 HB2 ASP 128 HB2 ASP 128 9.961 8.498 1.760 968 HB3 ASP 128 HB3 ASP 128 10.076 9.183 3.375 969 H MET 129 H MET 129 9.430 8.432 5.452 970 HA MET 129 HA MET 129 11.485 7.330 6.986 971 HB2 MET 129 HB2 MET 129 10.491 9.481 7.522 972 HB3 MET 129 HB3 MET 129 8.948 8.713 7.869 973 HG2 MET 129 HG2 MET 129 10.093 7.454 9.703 974 HG3 MET 129 HG3 MET 129 11.508 8.466 9.420 975 HE1 MET 129 HE1 MET 129 7.693 8.459 10.426 976 HE2 MET 129 HE2 MET 129 7.777 9.590 9.075 977 HE3 MET 129 HE3 MET 129 7.414 10.179 10.697 978 H LYS 130 H LYS 130 8.041 6.524 6.846 979 HA LYS 130 HA LYS 130 7.842 4.940 9.108 980 HB2 LYS 130 HB2 LYS 130 6.328 5.214 6.593 981 HB3 LYS 130 HB3 LYS 130 6.075 3.715 7.473 982 HG2 LYS 130 HG2 LYS 130 5.820 6.417 8.759 983 HG3 LYS 130 HG3 LYS 130 4.471 5.592 7.975 984 HD2 LYS 130 HD2 LYS 130 4.757 3.688 9.493 985 HD3 LYS 130 HD3 LYS 130 6.106 4.514 10.276 986 HE2 LYS 130 HE2 LYS 130 4.639 6.275 11.033 987 HE3 LYS 130 HE3 LYS 130 3.287 5.583 10.138 988 HZ1 LYS 130 HZ1 LYS 130 3.312 5.101 12.568 989 HZ2 LYS 130 HZ2 LYS 130 4.698 4.150 12.325 990 HZ3 LYS 130 HZ3 LYS 130 3.234 3.721 11.582 991 H ALA 131 H ALA 131 8.546 3.835 5.784 992 HA ALA 131 HA ALA 131 8.697 1.100 6.574 993 HB1 ALA 131 HB1 ALA 131 9.713 2.405 4.052 994 HB2 ALA 131 HB2 ALA 131 8.079 1.789 4.304 995 HB3 ALA 131 HB3 ALA 131 9.449 0.680 4.302 996 H LYS 132 H LYS 132 11.122 3.571 5.881 997 HA LYS 132 HA LYS 132 13.263 1.686 5.996 998 HB2 LYS 132 HB2 LYS 132 13.229 4.693 5.771 999 HB3 LYS 132 HB3 LYS 132 14.688 3.706 5.664 1000 HG2 LYS 132 HG2 LYS 132 13.939 2.627 3.708 1001 HG3 LYS 132 HG3 LYS 132 12.302 3.239 3.907 1002 HD2 LYS 132 HD2 LYS 132 13.172 5.531 3.510 1003 HD3 LYS 132 HD3 LYS 132 14.759 4.825 3.180 1004 HE2 LYS 132 HE2 LYS 132 13.851 3.554 1.336 1005 HE3 LYS 132 HE3 LYS 132 12.227 4.123 1.703 1006 HZ1 LYS 132 HZ1 LYS 132 13.000 6.396 1.214 1007 HZ2 LYS 132 HZ2 LYS 132 13.101 5.359 -0.123 1008 HZ3 LYS 132 HZ3 LYS 132 14.502 5.764 0.741 1009 H SER 133 H SER 133 11.815 3.883 8.324 1010 HA SER 133 HA SER 133 13.938 3.596 10.223 1011 HB2 SER 133 HB2 SER 133 12.314 4.509 11.866 1012 HB3 SER 133 HB3 SER 133 12.420 5.493 10.406 1013 HG SER 133 HG SER 133 10.479 4.692 9.720 1014 H ALA 134 H ALA 134 11.059 1.810 9.404 1015 HA ALA 134 HA ALA 134 11.073 0.093 11.684 1016 HB1 ALA 134 HB1 ALA 134 9.794 -0.317 8.982 1017 HB2 ALA 134 HB2 ALA 134 9.046 0.483 10.364 1018 HB3 ALA 134 HB3 ALA 134 9.445 -1.232 10.448 1019 H LEU 135 H LEU 135 12.966 0.273 8.871 1020 HA LEU 135 HA LEU 135 13.758 -2.532 9.016 1021 HB2 LEU 135 HB2 LEU 135 14.570 -0.334 7.109 1022 HB3 LEU 135 HB3 LEU 135 15.169 -1.980 7.036 1023 HG LEU 135 HG LEU 135 12.297 -1.127 6.654 1024 HD11 LEU 135 HD11 LEU 135 12.638 -1.793 4.339 1025 HD12 LEU 135 HD12 LEU 135 14.328 -2.166 4.685 1026 HD13 LEU 135 HD13 LEU 135 13.751 -0.503 4.793 1027 HD21 LEU 135 HD21 LEU 135 12.483 -3.332 7.698 1028 HD22 LEU 135 HD22 LEU 135 13.572 -3.850 6.411 1029 HD23 LEU 135 HD23 LEU 135 11.894 -3.450 6.040 1030 H GLY 136 H GLY 136 14.505 0.299 10.527 1031 HA2 GLY 136 HA2 GLY 136 16.152 0.610 12.140 1032 HA3 GLY 136 HA3 GLY 136 16.958 -0.834 11.548 1033 H ILE 137 H ILE 137 16.070 1.671 9.315 1034 HA ILE 137 HA ILE 137 18.884 2.080 8.714 1035 HB ILE 137 HB ILE 137 16.420 3.152 7.327 1036 HG12 ILE 137 HG12 ILE 137 18.256 0.878 6.541 1037 HG13 ILE 137 HG13 ILE 137 16.671 0.674 7.279 1038 HG21 ILE 137 HG21 ILE 137 19.299 3.137 6.426 1039 HG22 ILE 137 HG22 ILE 137 18.389 4.554 6.952 1040 HG23 ILE 137 HG23 ILE 137 17.918 3.700 5.482 1041 HD11 ILE 137 HD11 ILE 137 17.260 1.899 4.597 1042 HD12 ILE 137 HD12 ILE 137 15.664 1.812 5.341 1043 HD13 ILE 137 HD13 ILE 137 16.516 0.330 4.910 1044 H ARG 138 H ARG 138 20.021 3.696 9.531 1045 HA ARG 138 HA ARG 138 18.617 5.997 10.691 1046 HB2 ARG 138 HB2 ARG 138 21.488 5.104 11.052 1047 HB3 ARG 138 HB3 ARG 138 20.741 6.478 11.852 1048 HG2 ARG 138 HG2 ARG 138 20.698 4.841 13.478 1049 HG3 ARG 138 HG3 ARG 138 19.079 4.738 12.787 1050 HD2 ARG 138 HD2 ARG 138 19.799 2.862 11.387 1051 HD3 ARG 138 HD3 ARG 138 21.416 2.965 12.082 1052 HE ARG 138 HE ARG 138 19.277 2.583 13.997 1053 HH11 ARG 138 HH11 ARG 138 21.645 1.054 11.925 1054 HH12 ARG 138 HH12 ARG 138 21.680 -0.431 12.821 1055 HH21 ARG 138 HH21 ARG 138 19.307 0.617 15.192 1056 HH22 ARG 138 HH22 ARG 138 20.332 -0.684 14.672 1057 H ASP 139 H ASP 139 20.758 7.820 10.633 1058 HA ASP 139 HA ASP 139 20.421 8.895 8.037 1059 HB2 ASP 139 HB2 ASP 139 21.986 10.652 8.746 1060 HB3 ASP 139 HB3 ASP 139 20.753 10.355 9.962 1061 H LEU 140 H LEU 140 21.969 9.305 6.419 1062 HA LEU 140 HA LEU 140 23.537 6.945 5.911 1063 HB2 LEU 140 HB2 LEU 140 23.091 9.423 4.254 1064 HB3 LEU 140 HB3 LEU 140 23.939 7.991 3.701 1065 HG LEU 140 HG LEU 140 21.023 8.147 4.472 1066 HD11 LEU 140 HD11 LEU 140 21.503 9.199 2.341 1067 HD12 LEU 140 HD12 LEU 140 20.650 7.675 2.096 1068 HD13 LEU 140 HD13 LEU 140 22.387 7.768 1.813 1069 HD21 LEU 140 HD21 LEU 140 20.891 5.834 3.703 1070 HD22 LEU 140 HD22 LEU 140 21.991 5.983 5.074 1071 HD23 LEU 140 HD23 LEU 140 22.633 5.813 3.440 1072 H GLU 141 H GLU 141 24.272 9.625 7.625 1073 HA GLU 141 HA GLU 141 26.888 10.208 6.663 1074 HB2 GLU 141 HB2 GLU 141 25.656 11.769 8.100 1075 HB3 GLU 141 HB3 GLU 141 25.687 10.601 9.410 1076 HG2 GLU 141 HG2 GLU 141 28.135 10.764 9.472 1077 HG3 GLU 141 HG3 GLU 141 28.071 11.982 8.198 1078 H HIS 142 H HIS 142 25.502 7.827 8.796 1079 HA HIS 142 HA HIS 142 28.115 6.745 9.477 1080 HB2 HIS 142 HB2 HIS 142 26.451 6.629 11.232 1081 HB3 HIS 142 HB3 HIS 142 25.314 5.822 10.159 1082 HD1 HIS 142 HD1 HIS 142 28.680 5.156 11.814 1083 HD2 HIS 142 HD2 HIS 142 25.440 3.099 10.209 1084 HE1 HIS 142 HE1 HIS 142 29.091 2.732 12.331 1085 HE2 HIS 142 HE2 HIS 142 27.242 1.496 11.142 1086 H HIS 143 H HIS 143 28.900 6.199 7.462 1087 HA HIS 143 HA HIS 143 27.604 3.853 6.225 1088 HB2 HIS 143 HB2 HIS 143 27.748 6.016 4.844 1089 HB3 HIS 143 HB3 HIS 143 29.487 5.756 4.820 1090 HD1 HIS 143 HD1 HIS 143 30.383 4.203 3.053 1091 HD2 HIS 143 HD2 HIS 143 26.252 3.950 3.483 1092 HE1 HIS 143 HE1 HIS 143 29.586 2.785 1.137 1093 HE2 HIS 143 HE2 HIS 143 27.068 2.854 1.282 1094 H HIS 144 H HIS 144 30.644 5.517 6.836 1095 HA HIS 144 HA HIS 144 32.711 4.857 7.412 1096 HB2 HIS 144 HB2 HIS 144 31.393 3.705 9.229 1097 HB3 HIS 144 HB3 HIS 144 31.508 2.231 8.274 1098 HD1 HIS 144 HD1 HIS 144 33.573 4.577 10.354 1099 HD2 HIS 144 HD2 HIS 144 34.014 0.972 8.315 1100 HE1 HIS 144 HE1 HIS 144 35.786 3.641 11.093 1101 HE2 HIS 144 HE2 HIS 144 35.940 1.378 10.004 1102 H HIS 145 H HIS 145 31.525 1.627 6.472 1103 HA HIS 145 HA HIS 145 32.769 1.672 3.919 1104 HB2 HIS 145 HB2 HIS 145 34.788 1.572 5.421 1105 HB3 HIS 145 HB3 HIS 145 34.219 0.005 5.984 1106 HD1 HIS 145 HD1 HIS 145 35.831 1.699 3.084 1107 HD2 HIS 145 HD2 HIS 145 34.516 -2.107 4.136 1108 HE1 HIS 145 HE1 HIS 145 36.800 0.141 1.357 1109 HE2 HIS 145 HE2 HIS 145 35.899 -2.140 1.945 1110 H HIS 146 H HIS 146 31.248 0.011 6.535 1111 HA HIS 146 HA HIS 146 30.284 -1.994 6.846 1112 HB2 HIS 146 HB2 HIS 146 28.612 -2.693 5.227 1113 HB3 HIS 146 HB3 HIS 146 28.554 -0.958 5.462 1114 HD1 HIS 146 HD1 HIS 146 29.867 -3.475 2.914 1115 HD2 HIS 146 HD2 HIS 146 28.578 0.472 3.160 1116 HE1 HIS 146 HE1 HIS 146 29.783 -2.643 0.550 1117 HE2 HIS 146 HE2 HIS 146 29.229 -0.194 0.747 1118 H HIS 147 H HIS 147 29.773 -4.234 5.376 1119 HA HIS 147 HA HIS 147 32.392 -4.954 4.233 1120 HB2 HIS 147 HB2 HIS 147 31.878 -6.046 6.478 1121 HB3 HIS 147 HB3 HIS 147 30.577 -6.906 5.662 1122 HD1 HIS 147 HD1 HIS 147 31.200 -8.987 4.375 1123 HD2 HIS 147 HD2 HIS 147 34.513 -6.733 5.500 1124 HE1 HIS 147 HE1 HIS 147 33.208 -10.395 3.811 1125 HE2 HIS 147 HE2 HIS 147 35.203 -8.965 4.386 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -11.341 16.896 -3.102 2 H2 MET 1 H2 MET 1 -12.314 15.997 -2.049 3 H3 MET 1 H3 MET 1 -11.958 17.616 -1.693 4 HA MET 1 HA MET 1 -14.152 17.562 -2.491 5 HB2 MET 1 HB2 MET 1 -12.222 18.474 -4.630 6 HB3 MET 1 HB3 MET 1 -13.940 18.848 -4.635 7 HG2 MET 1 HG2 MET 1 -13.678 20.019 -2.497 8 HG3 MET 1 HG3 MET 1 -11.952 19.670 -2.529 9 HE1 MET 1 HE1 MET 1 -11.469 22.258 -2.175 10 HE2 MET 1 HE2 MET 1 -13.201 22.593 -2.175 11 HE3 MET 1 HE3 MET 1 -12.124 23.524 -3.215 12 H ASP 2 H ASP 2 -11.967 16.005 -4.871 13 HA ASP 2 HA ASP 2 -14.169 14.152 -5.419 14 HB2 ASP 2 HB2 ASP 2 -14.111 15.883 -7.239 15 HB3 ASP 2 HB3 ASP 2 -12.489 15.321 -7.642 16 H ASP 3 H ASP 3 -13.151 12.619 -4.223 17 HA ASP 3 HA ASP 3 -10.542 11.654 -5.161 18 HB2 ASP 3 HB2 ASP 3 -10.519 10.307 -3.100 19 HB3 ASP 3 HB3 ASP 3 -10.768 12.010 -2.732 20 H ARG 4 H ARG 4 -13.378 11.377 -6.284 21 HA ARG 4 HA ARG 4 -13.945 8.561 -6.112 22 HB2 ARG 4 HB2 ARG 4 -15.186 10.803 -7.705 23 HB3 ARG 4 HB3 ARG 4 -15.766 9.143 -7.745 24 HG2 ARG 4 HG2 ARG 4 -16.380 9.216 -5.449 25 HG3 ARG 4 HG3 ARG 4 -15.571 10.767 -5.223 26 HD2 ARG 4 HD2 ARG 4 -17.833 10.419 -7.160 27 HD3 ARG 4 HD3 ARG 4 -18.113 10.771 -5.457 28 HE ARG 4 HE ARG 4 -16.514 12.555 -7.198 29 HH11 ARG 4 HH11 ARG 4 -19.003 11.990 -4.806 30 HH12 ARG 4 HH12 ARG 4 -19.362 13.668 -4.576 31 HH21 ARG 4 HH21 ARG 4 -16.993 14.774 -6.923 32 HH22 ARG 4 HH22 ARG 4 -18.232 15.260 -5.802 33 H THR 5 H THR 5 -11.961 10.495 -7.975 34 HA THR 5 HA THR 5 -11.989 8.599 -10.216 35 HB THR 5 HB THR 5 -10.665 10.538 -11.349 36 HG1 THR 5 HG1 THR 5 -12.211 12.169 -9.630 37 HG21 THR 5 HG21 THR 5 -12.778 11.540 -12.106 38 HG22 THR 5 HG22 THR 5 -13.625 10.742 -10.781 39 HG23 THR 5 HG23 THR 5 -12.876 9.782 -12.055 40 H GLU 6 H GLU 6 -10.607 7.076 -9.508 41 HA GLU 6 HA GLU 6 -8.639 5.993 -9.277 42 HB2 GLU 6 HB2 GLU 6 -7.491 8.552 -10.388 43 HB3 GLU 6 HB3 GLU 6 -6.593 7.053 -10.190 44 HG2 GLU 6 HG2 GLU 6 -8.167 5.952 -11.739 45 HG3 GLU 6 HG3 GLU 6 -8.968 7.505 -11.982 46 H TYR 7 H TYR 7 -8.236 5.589 -7.190 47 HA TYR 7 HA TYR 7 -7.346 7.637 -5.393 48 HB2 TYR 7 HB2 TYR 7 -7.604 4.646 -5.167 49 HB3 TYR 7 HB3 TYR 7 -6.808 5.592 -3.911 50 HD1 TYR 7 HD2 TYR 7 -8.123 7.484 -2.841 51 HD2 TYR 7 HD1 TYR 7 -9.952 4.455 -5.200 52 HE1 TYR 7 HE2 TYR 7 -10.298 8.035 -1.845 53 HE2 TYR 7 HE1 TYR 7 -12.138 4.996 -4.209 54 HH TYR 7 HH TYR 7 -12.708 7.826 -2.478 55 H ASP 8 H ASP 8 -5.317 8.197 -4.881 56 HA ASP 8 HA ASP 8 -3.236 7.082 -6.625 57 HB2 ASP 8 HB2 ASP 8 -3.799 9.469 -6.947 58 HB3 ASP 8 HB3 ASP 8 -3.371 9.788 -5.270 59 H VAL 9 H VAL 9 -1.166 6.666 -5.805 60 HA VAL 9 HA VAL 9 -0.941 6.624 -2.866 61 HB VAL 9 HB VAL 9 0.109 4.503 -4.757 62 HG11 VAL 9 HG11 VAL 9 0.729 3.292 -2.713 63 HG12 VAL 9 HG12 VAL 9 0.193 4.663 -1.743 64 HG13 VAL 9 HG13 VAL 9 1.568 4.839 -2.831 65 HG21 VAL 9 HG21 VAL 9 -1.509 3.006 -3.684 66 HG22 VAL 9 HG22 VAL 9 -2.307 4.346 -4.511 67 HG23 VAL 9 HG23 VAL 9 -2.142 4.366 -2.755 68 H TYR 10 H TYR 10 0.550 8.108 -2.369 69 HA TYR 10 HA TYR 10 2.917 8.328 -4.094 70 HB2 TYR 10 HB2 TYR 10 1.367 10.270 -2.513 71 HB3 TYR 10 HB3 TYR 10 3.113 10.436 -2.367 72 HD1 TYR 10 HD1 TYR 10 1.735 9.141 -5.477 73 HD2 TYR 10 HD2 TYR 10 2.970 12.655 -3.422 74 HE1 TYR 10 HE1 TYR 10 1.795 10.360 -7.610 75 HE2 TYR 10 HE2 TYR 10 3.035 13.883 -5.551 76 HH TYR 10 HH TYR 10 1.788 12.498 -8.507 77 H THR 11 H THR 11 4.502 7.125 -3.421 78 HA THR 11 HA THR 11 5.664 7.372 -0.837 79 HB THR 11 HB THR 11 4.456 4.665 -1.504 80 HG1 THR 11 HG1 THR 11 3.346 6.772 -0.246 81 HG21 THR 11 HG21 THR 11 5.222 4.035 0.742 82 HG22 THR 11 HG22 THR 11 5.965 5.624 0.928 83 HG23 THR 11 HG23 THR 11 6.566 4.507 -0.297 84 H ASP 12 H ASP 12 7.816 7.169 -1.253 85 HA ASP 12 HA ASP 12 8.641 5.472 -3.485 86 HB2 ASP 12 HB2 ASP 12 10.167 7.459 -1.792 87 HB3 ASP 12 HB3 ASP 12 10.962 6.368 -2.920 88 H GLY 13 H GLY 13 10.285 6.018 -0.389 89 HA2 GLY 13 HA2 GLY 13 10.641 4.592 1.390 90 HA3 GLY 13 HA3 GLY 13 9.499 3.469 0.671 91 H SER 14 H SER 14 12.470 3.515 1.771 92 HA SER 14 HA SER 14 13.278 1.444 -0.123 93 HB2 SER 14 HB2 SER 14 15.047 3.778 0.625 94 HB3 SER 14 HB3 SER 14 15.578 2.353 -0.267 95 HG SER 14 HG SER 14 13.350 3.438 -1.373 96 H TYR 15 H TYR 15 13.415 -0.271 1.123 97 HA TYR 15 HA TYR 15 14.478 -0.252 3.787 98 HB2 TYR 15 HB2 TYR 15 14.406 -2.737 3.550 99 HB3 TYR 15 HB3 TYR 15 12.867 -1.969 3.186 100 HD1 TYR 15 HD2 TYR 15 12.176 -1.712 0.781 101 HD2 TYR 15 HD1 TYR 15 15.522 -4.066 1.945 102 HE1 TYR 15 HE2 TYR 15 12.120 -2.857 -1.391 103 HE2 TYR 15 HE1 TYR 15 15.472 -5.217 -0.226 104 HH TYR 15 HH TYR 15 13.892 -5.692 -2.024 105 H VAL 16 H VAL 16 16.574 -0.895 4.418 106 HA VAL 16 HA VAL 16 18.560 -1.379 2.378 107 HB VAL 16 HB VAL 16 18.164 1.078 2.243 108 HG11 VAL 16 HG11 VAL 16 17.609 1.522 4.560 109 HG12 VAL 16 HG12 VAL 16 18.960 2.529 4.045 110 HG13 VAL 16 HG13 VAL 16 19.250 1.111 5.054 111 HG21 VAL 16 HG21 VAL 16 20.901 0.275 3.222 112 HG22 VAL 16 HG22 VAL 16 20.521 1.740 2.317 113 HG23 VAL 16 HG23 VAL 16 20.306 0.161 1.566 114 H ASN 17 H ASN 17 20.649 -1.827 3.233 115 HA ASN 17 HA ASN 17 22.138 -2.714 4.698 116 HB2 ASN 17 HB2 ASN 17 20.553 -1.061 6.672 117 HB3 ASN 17 HB3 ASN 17 21.986 -1.976 7.124 118 HD21 ASN 17 HD21 ASN 17 23.988 -1.385 6.225 119 HD22 ASN 17 HD22 ASN 17 24.253 0.221 5.634 120 H GLY 18 H GLY 18 19.633 -4.049 4.032 121 HA2 GLY 18 HA2 GLY 18 18.935 -6.224 4.484 122 HA3 GLY 18 HA3 GLY 18 19.831 -6.169 5.996 123 H GLN 19 H GLN 19 18.344 -3.464 6.385 124 HA GLN 19 HA GLN 19 16.240 -4.625 7.974 125 HB2 GLN 19 HB2 GLN 19 17.004 -1.733 7.518 126 HB3 GLN 19 HB3 GLN 19 15.850 -2.302 8.715 127 HG2 GLN 19 HG2 GLN 19 18.744 -3.113 8.663 128 HG3 GLN 19 HG3 GLN 19 18.113 -1.760 9.600 129 HE21 GLN 19 HE21 GLN 19 18.752 -2.696 11.532 130 HE22 GLN 19 HE22 GLN 19 17.900 -4.033 12.231 131 H TYR 20 H TYR 20 14.172 -4.825 7.389 132 HA TYR 20 HA TYR 20 13.267 -3.344 5.002 133 HB2 TYR 20 HB2 TYR 20 11.957 -5.251 4.315 134 HB3 TYR 20 HB3 TYR 20 13.607 -5.796 4.588 135 HD1 TYR 20 HD1 TYR 20 14.144 -7.143 6.609 136 HD2 TYR 20 HD2 TYR 20 10.138 -6.094 5.624 137 HE1 TYR 20 HE1 TYR 20 13.316 -8.875 8.145 138 HE2 TYR 20 HE2 TYR 20 9.303 -7.820 7.162 139 HH TYR 20 HH TYR 20 11.289 -9.355 9.446 140 H ALA 21 H ALA 21 11.037 -2.791 4.953 141 HA ALA 21 HA ALA 21 9.433 -3.139 7.325 142 HB1 ALA 21 HB1 ALA 21 9.149 -0.748 7.765 143 HB2 ALA 21 HB2 ALA 21 10.334 -0.369 6.516 144 HB3 ALA 21 HB3 ALA 21 10.832 -1.234 7.971 145 H TRP 22 H TRP 22 7.261 -2.101 7.037 146 HA TRP 22 HA TRP 22 6.607 -1.848 4.181 147 HB2 TRP 22 HB2 TRP 22 4.250 -2.401 4.847 148 HB3 TRP 22 HB3 TRP 22 5.396 -3.717 5.053 149 HD1 TRP 22 HD1 TRP 22 5.956 -4.476 7.559 150 HE1 TRP 22 HE1 TRP 22 4.649 -4.190 9.758 151 HE3 TRP 22 HE3 TRP 22 2.738 -0.770 6.122 152 HZ2 TRP 22 HZ2 TRP 22 2.537 -2.612 10.751 153 HZ3 TRP 22 HZ3 TRP 22 1.103 0.069 7.759 154 HH2 TRP 22 HH2 TRP 22 1.006 -0.834 10.024 155 H ALA 23 H ALA 23 5.772 -0.008 3.469 156 HA ALA 23 HA ALA 23 5.023 2.042 5.431 157 HB1 ALA 23 HB1 ALA 23 6.864 2.479 3.077 158 HB2 ALA 23 HB2 ALA 23 7.364 2.407 4.766 159 HB3 ALA 23 HB3 ALA 23 6.312 3.710 4.212 160 H TYR 24 H TYR 24 3.305 3.253 4.862 161 HA TYR 24 HA TYR 24 2.413 3.243 2.077 162 HB2 TYR 24 HB2 TYR 24 0.600 2.519 4.395 163 HB3 TYR 24 HB3 TYR 24 0.080 2.769 2.737 164 HD1 TYR 24 HD1 TYR 24 0.818 1.127 0.966 165 HD2 TYR 24 HD2 TYR 24 1.436 0.438 5.120 166 HE1 TYR 24 HE1 TYR 24 1.134 -1.273 0.518 167 HE2 TYR 24 HE2 TYR 24 1.758 -1.956 4.681 168 HH TYR 24 HH TYR 24 2.224 -3.215 1.569 169 H ALA 25 H ALA 25 1.567 5.126 1.436 170 HA ALA 25 HA ALA 25 0.557 6.983 3.475 171 HB1 ALA 25 HB1 ALA 25 2.775 7.764 2.773 172 HB2 ALA 25 HB2 ALA 25 1.505 8.871 2.243 173 HB3 ALA 25 HB3 ALA 25 2.242 7.759 1.089 174 H PHE 26 H PHE 26 -1.566 6.969 3.116 175 HA PHE 26 HA PHE 26 -2.601 6.494 0.439 176 HB2 PHE 26 HB2 PHE 26 -4.046 6.797 3.082 177 HB3 PHE 26 HB3 PHE 26 -4.791 6.327 1.559 178 HD1 PHE 26 HD2 PHE 26 -4.263 4.136 0.555 179 HD2 PHE 26 HD1 PHE 26 -2.843 5.232 4.412 180 HE1 PHE 26 HE2 PHE 26 -3.781 1.772 1.044 181 HE2 PHE 26 HE1 PHE 26 -2.356 2.873 4.907 182 HZ PHE 26 HZ PHE 26 -2.828 1.137 3.225 183 H VAL 27 H VAL 27 -2.831 8.159 -0.861 184 HA VAL 27 HA VAL 27 -3.662 10.732 0.294 185 HB VAL 27 HB VAL 27 -1.413 10.942 -0.514 186 HG11 VAL 27 HG11 VAL 27 -0.770 10.485 -2.819 187 HG12 VAL 27 HG12 VAL 27 -2.388 9.871 -3.153 188 HG13 VAL 27 HG13 VAL 27 -1.343 9.026 -2.011 189 HG21 VAL 27 HG21 VAL 27 -3.348 12.169 -2.470 190 HG22 VAL 27 HG22 VAL 27 -1.670 12.666 -2.252 191 HG23 VAL 27 HG23 VAL 27 -2.825 12.858 -0.932 192 H LYS 28 H LYS 28 -5.570 11.439 -0.294 193 HA LYS 28 HA LYS 28 -6.612 10.702 -2.946 194 HB2 LYS 28 HB2 LYS 28 -8.888 10.619 -1.998 195 HB3 LYS 28 HB3 LYS 28 -7.842 9.392 -1.302 196 HG2 LYS 28 HG2 LYS 28 -7.753 10.446 0.757 197 HG3 LYS 28 HG3 LYS 28 -8.214 12.013 0.090 198 HD2 LYS 28 HD2 LYS 28 -10.061 11.089 1.352 199 HD3 LYS 28 HD3 LYS 28 -10.471 11.125 -0.362 200 HE2 LYS 28 HE2 LYS 28 -9.715 8.710 -0.452 201 HE3 LYS 28 HE3 LYS 28 -9.688 8.753 1.313 202 HZ1 LYS 28 HZ1 LYS 28 -12.034 9.231 -0.444 203 HZ2 LYS 28 HZ2 LYS 28 -12.053 9.434 1.238 204 HZ3 LYS 28 HZ3 LYS 28 -11.791 7.893 0.572 205 H ASP 29 H ASP 29 -7.322 12.383 -4.130 206 HA ASP 29 HA ASP 29 -7.880 14.496 -4.766 207 HB2 ASP 29 HB2 ASP 29 -9.668 14.191 -3.040 208 HB3 ASP 29 HB3 ASP 29 -8.598 14.913 -1.851 209 H GLY 30 H GLY 30 -5.257 13.703 -3.279 210 HA2 GLY 30 HA2 GLY 30 -3.218 14.888 -3.341 211 HA3 GLY 30 HA3 GLY 30 -4.121 16.397 -3.302 212 H LYS 31 H LYS 31 -5.466 14.391 -1.043 213 HA LYS 31 HA LYS 31 -3.854 15.615 1.099 214 HB2 LYS 31 HB2 LYS 31 -6.787 14.914 1.011 215 HB3 LYS 31 HB3 LYS 31 -5.951 15.284 2.503 216 HG2 LYS 31 HG2 LYS 31 -7.220 17.192 1.628 217 HG3 LYS 31 HG3 LYS 31 -5.494 17.534 1.749 218 HD2 LYS 31 HD2 LYS 31 -5.207 17.310 -0.598 219 HD3 LYS 31 HD3 LYS 31 -6.822 16.633 -0.795 220 HE2 LYS 31 HE2 LYS 31 -6.400 19.397 0.289 221 HE3 LYS 31 HE3 LYS 31 -6.440 19.085 -1.446 222 HZ1 LYS 31 HZ1 LYS 31 -8.612 18.374 0.453 223 HZ2 LYS 31 HZ2 LYS 31 -8.642 18.187 -1.234 224 HZ3 LYS 31 HZ3 LYS 31 -8.604 19.742 -0.551 225 H VAL 32 H VAL 32 -3.185 14.377 2.777 226 HA VAL 32 HA VAL 32 -3.501 11.463 2.434 227 HB VAL 32 HB VAL 32 -1.280 12.966 3.841 228 HG11 VAL 32 HG11 VAL 32 -0.175 10.788 4.007 229 HG12 VAL 32 HG12 VAL 32 -1.598 10.013 3.309 230 HG13 VAL 32 HG13 VAL 32 -1.708 10.807 4.880 231 HG21 VAL 32 HG21 VAL 32 0.134 12.163 2.002 232 HG22 VAL 32 HG22 VAL 32 -1.153 13.226 1.433 233 HG23 VAL 32 HG23 VAL 32 -1.291 11.482 1.216 234 H HIS 33 H HIS 33 -4.714 10.462 3.882 235 HA HIS 33 HA HIS 33 -5.209 11.825 6.448 236 HB2 HIS 33 HB2 HIS 33 -7.144 11.371 4.807 237 HB3 HIS 33 HB3 HIS 33 -6.978 9.685 5.280 238 HD1 HIS 33 HD1 HIS 33 -7.550 9.122 7.823 239 HD2 HIS 33 HD2 HIS 33 -8.450 12.994 6.613 240 HE1 HIS 33 HE1 HIS 33 -9.111 10.028 9.568 241 HE2 HIS 33 HE2 HIS 33 -9.448 12.439 8.933 242 H TYR 34 H TYR 34 -3.844 9.039 5.012 243 HA TYR 34 HA TYR 34 -3.440 7.869 7.671 244 HB2 TYR 34 HB2 TYR 34 -4.126 6.203 5.236 245 HB3 TYR 34 HB3 TYR 34 -3.891 5.628 6.880 246 HD1 TYR 34 HD2 TYR 34 -5.599 6.294 8.639 247 HD2 TYR 34 HD1 TYR 34 -6.234 6.891 4.476 248 HE1 TYR 34 HE2 TYR 34 -8.014 6.503 9.041 249 HE2 TYR 34 HE1 TYR 34 -8.652 7.102 4.868 250 HH TYR 34 HH TYR 34 -10.309 6.379 6.590 251 H GLU 35 H GLU 35 -1.400 7.100 7.983 252 HA GLU 35 HA GLU 35 0.279 6.192 5.871 253 HB2 GLU 35 HB2 GLU 35 1.965 7.881 5.872 254 HB3 GLU 35 HB3 GLU 35 0.432 8.682 5.578 255 HG2 GLU 35 HG2 GLU 35 1.787 8.576 8.265 256 HG3 GLU 35 HG3 GLU 35 1.977 9.892 7.114 257 H ASP 36 H ASP 36 2.092 5.091 6.648 258 HA ASP 36 HA ASP 36 3.274 5.521 9.164 259 HB2 ASP 36 HB2 ASP 36 0.973 4.240 9.645 260 HB3 ASP 36 HB3 ASP 36 1.964 2.843 9.239 261 H ALA 37 H ALA 37 4.731 3.606 9.733 262 HA ALA 37 HA ALA 37 5.512 1.886 7.565 263 HB1 ALA 37 HB1 ALA 37 7.782 2.767 7.337 264 HB2 ALA 37 HB2 ALA 37 7.389 4.086 8.441 265 HB3 ALA 37 HB3 ALA 37 6.589 3.979 6.871 266 H ASP 38 H ASP 38 5.765 0.055 8.692 267 HA ASP 38 HA ASP 38 7.228 0.188 11.248 268 HB2 ASP 38 HB2 ASP 38 4.557 -0.031 11.266 269 HB3 ASP 38 HB3 ASP 38 4.956 -1.729 11.036 270 H VAL 39 H VAL 39 7.685 -2.173 12.009 271 HA VAL 39 HA VAL 39 8.785 -3.579 9.683 272 HB VAL 39 HB VAL 39 10.258 -4.708 11.377 273 HG11 VAL 39 HG11 VAL 39 10.447 -1.703 11.239 274 HG12 VAL 39 HG12 VAL 39 11.044 -2.830 10.021 275 HG13 VAL 39 HG13 VAL 39 11.766 -2.807 11.631 276 HG21 VAL 39 HG21 VAL 39 8.910 -4.350 13.370 277 HG22 VAL 39 HG22 VAL 39 9.126 -2.606 13.219 278 HG23 VAL 39 HG23 VAL 39 10.511 -3.638 13.574 279 H GLY 40 H GLY 40 8.095 -5.551 9.156 280 HA2 GLY 40 HA2 GLY 40 7.190 -7.675 9.409 281 HA3 GLY 40 HA3 GLY 40 6.927 -7.326 11.110 282 H LYS 41 H LYS 41 5.445 -7.779 8.142 283 HA LYS 41 HA LYS 41 3.000 -6.423 9.061 284 HB2 LYS 41 HB2 LYS 41 3.827 -5.734 6.820 285 HB3 LYS 41 HB3 LYS 41 3.656 -7.393 6.269 286 HG2 LYS 41 HG2 LYS 41 1.245 -7.277 6.703 287 HG3 LYS 41 HG3 LYS 41 1.429 -5.602 7.220 288 HD2 LYS 41 HD2 LYS 41 2.274 -5.023 4.981 289 HD3 LYS 41 HD3 LYS 41 2.039 -6.698 4.473 290 HE2 LYS 41 HE2 LYS 41 -0.366 -6.489 4.955 291 HE3 LYS 41 HE3 LYS 41 -0.117 -4.805 5.412 292 HZ1 LYS 41 HZ1 LYS 41 0.414 -5.953 2.721 293 HZ2 LYS 41 HZ2 LYS 41 0.621 -4.329 3.163 294 HZ3 LYS 41 HZ3 LYS 41 -0.934 -5.013 3.141 295 H ASN 42 H ASN 42 1.980 -7.844 10.303 296 HA ASN 42 HA ASN 42 1.014 -10.288 9.067 297 HB2 ASN 42 HB2 ASN 42 3.162 -10.375 10.882 298 HB3 ASN 42 HB3 ASN 42 1.749 -10.855 11.816 299 HD21 ASN 42 HD21 ASN 42 2.590 -12.953 12.006 300 HD22 ASN 42 HD22 ASN 42 2.519 -14.071 10.684 301 HA PRO 43 HA PRO 43 -2.853 -9.065 10.737 302 HB2 PRO 43 HB2 PRO 43 -3.099 -11.913 11.598 303 HB3 PRO 43 HB3 PRO 43 -4.240 -10.906 10.695 304 HG2 PRO 43 HG2 PRO 43 -2.772 -12.720 9.429 305 HG3 PRO 43 HG3 PRO 43 -3.065 -11.129 8.705 306 HD2 PRO 43 HD2 PRO 43 -0.603 -12.196 10.008 307 HD3 PRO 43 HD3 PRO 43 -0.763 -11.084 8.634 308 H ALA 44 H ALA 44 -1.353 -11.517 12.875 309 HA ALA 44 HA ALA 44 -2.601 -10.533 15.218 310 HB1 ALA 44 HB1 ALA 44 -1.794 -12.842 14.999 311 HB2 ALA 44 HB2 ALA 44 -1.148 -12.047 16.432 312 HB3 ALA 44 HB3 ALA 44 -0.132 -12.250 15.006 313 H ALA 45 H ALA 45 0.344 -9.691 13.589 314 HA ALA 45 HA ALA 45 1.559 -8.344 15.801 315 HB1 ALA 45 HB1 ALA 45 2.113 -8.088 12.847 316 HB2 ALA 45 HB2 ALA 45 2.887 -9.228 13.946 317 HB3 ALA 45 HB3 ALA 45 3.140 -7.494 14.151 318 H ALA 46 H ALA 46 -0.614 -7.483 13.203 319 HA ALA 46 HA ALA 46 -0.401 -4.651 13.543 320 HB1 ALA 46 HB1 ALA 46 -1.105 -5.636 11.420 321 HB2 ALA 46 HB2 ALA 46 -2.324 -4.525 12.045 322 HB3 ALA 46 HB3 ALA 46 -2.560 -6.267 12.191 323 H THR 47 H THR 47 -2.022 -7.110 15.250 324 HA THR 47 HA THR 47 -4.271 -5.620 16.149 325 HB THR 47 HB THR 47 -3.009 -7.996 17.526 326 HG1 THR 47 HG1 THR 47 -4.504 -7.769 15.152 327 HG21 THR 47 HG21 THR 47 -5.851 -6.968 17.439 328 HG22 THR 47 HG22 THR 47 -4.753 -6.869 18.814 329 HG23 THR 47 HG23 THR 47 -5.316 -8.439 18.252 330 H MET 48 H MET 48 -1.006 -6.093 17.375 331 HA MET 48 HA MET 48 -1.574 -4.988 19.964 332 HB2 MET 48 HB2 MET 48 1.059 -5.575 18.604 333 HB3 MET 48 HB3 MET 48 0.883 -5.105 20.289 334 HG2 MET 48 HG2 MET 48 -0.448 -7.129 20.697 335 HG3 MET 48 HG3 MET 48 -0.215 -7.604 19.015 336 HE1 MET 48 HE1 MET 48 2.174 -8.210 17.972 337 HE2 MET 48 HE2 MET 48 3.679 -8.130 18.888 338 HE3 MET 48 HE3 MET 48 2.784 -6.652 18.527 339 H ARG 49 H ARG 49 0.180 -3.843 17.099 340 HA ARG 49 HA ARG 49 0.555 -1.201 18.129 341 HB2 ARG 49 HB2 ARG 49 1.044 -0.737 15.617 342 HB3 ARG 49 HB3 ARG 49 2.145 -1.772 16.518 343 HG2 ARG 49 HG2 ARG 49 1.105 -3.746 15.577 344 HG3 ARG 49 HG3 ARG 49 -0.080 -2.749 14.737 345 HD2 ARG 49 HD2 ARG 49 1.717 -3.521 13.255 346 HD3 ARG 49 HD3 ARG 49 1.652 -1.768 13.373 347 HE ARG 49 HE ARG 49 3.773 -1.786 14.189 348 HH11 ARG 49 HH11 ARG 49 2.421 -4.976 14.816 349 HH12 ARG 49 HH12 ARG 49 3.963 -5.687 15.196 350 HH21 ARG 49 HH21 ARG 49 5.790 -2.744 14.644 351 HH22 ARG 49 HH22 ARG 49 5.871 -4.426 15.086 352 H ASN 50 H ASN 50 -0.661 0.618 17.798 353 HA ASN 50 HA ASN 50 -3.441 0.117 17.225 354 HB2 ASN 50 HB2 ASN 50 -3.696 2.562 17.865 355 HB3 ASN 50 HB3 ASN 50 -3.079 1.485 19.111 356 HD21 ASN 50 HD21 ASN 50 -0.971 1.668 19.790 357 HD22 ASN 50 HD22 ASN 50 0.014 3.041 19.404 358 H VAL 51 H VAL 51 -1.238 0.282 15.106 359 HA VAL 51 HA VAL 51 -2.043 2.299 13.276 360 HB VAL 51 HB VAL 51 -0.864 -0.408 12.603 361 HG11 VAL 51 HG11 VAL 51 -1.753 0.795 10.682 362 HG12 VAL 51 HG12 VAL 51 0.008 0.726 10.618 363 HG13 VAL 51 HG13 VAL 51 -0.800 2.212 11.115 364 HG21 VAL 51 HG21 VAL 51 0.583 2.155 13.268 365 HG22 VAL 51 HG22 VAL 51 1.331 0.661 12.705 366 HG23 VAL 51 HG23 VAL 51 0.526 0.706 14.272 367 H ALA 52 H ALA 52 -3.248 -0.785 14.224 368 HA ALA 52 HA ALA 52 -4.707 -1.634 12.040 369 HB1 ALA 52 HB1 ALA 52 -4.360 -3.003 14.015 370 HB2 ALA 52 HB2 ALA 52 -6.077 -2.892 13.624 371 HB3 ALA 52 HB3 ALA 52 -5.413 -1.941 14.951 372 H GLY 53 H GLY 53 -5.498 0.901 14.332 373 HA2 GLY 53 HA2 GLY 53 -8.243 1.141 13.715 374 HA3 GLY 53 HA3 GLY 53 -7.227 2.416 14.373 375 H GLU 54 H GLU 54 -5.402 2.784 12.385 376 HA GLU 54 HA GLU 54 -6.848 4.418 10.587 377 HB2 GLU 54 HB2 GLU 54 -3.969 3.654 10.889 378 HB3 GLU 54 HB3 GLU 54 -4.490 4.503 9.443 379 HG2 GLU 54 HG2 GLU 54 -3.615 6.053 11.079 380 HG3 GLU 54 HG3 GLU 54 -5.331 6.339 10.806 381 H ILE 55 H ILE 55 -5.130 1.323 10.162 382 HA ILE 55 HA ILE 55 -5.533 1.226 7.364 383 HB ILE 55 HB ILE 55 -4.951 -1.164 7.531 384 HG12 ILE 55 HG12 ILE 55 -4.713 -0.641 10.492 385 HG13 ILE 55 HG13 ILE 55 -5.989 -1.592 9.738 386 HG21 ILE 55 HG21 ILE 55 -3.218 0.509 7.282 387 HG22 ILE 55 HG22 ILE 55 -2.648 -0.809 8.305 388 HG23 ILE 55 HG23 ILE 55 -3.144 0.720 9.031 389 HD11 ILE 55 HD11 ILE 55 -4.341 -3.198 8.952 390 HD12 ILE 55 HD12 ILE 55 -4.265 -3.007 10.703 391 HD13 ILE 55 HD13 ILE 55 -3.051 -2.239 9.677 392 H ALA 56 H ALA 56 -7.450 0.106 10.078 393 HA ALA 56 HA ALA 56 -9.319 -1.425 8.616 394 HB1 ALA 56 HB1 ALA 56 -9.712 0.099 11.188 395 HB2 ALA 56 HB2 ALA 56 -9.151 -1.567 11.041 396 HB3 ALA 56 HB3 ALA 56 -10.792 -1.141 10.551 397 H ALA 57 H ALA 57 -9.167 2.010 9.434 398 HA ALA 57 HA ALA 57 -11.710 2.657 8.315 399 HB1 ALA 57 HB1 ALA 57 -9.347 4.436 8.918 400 HB2 ALA 57 HB2 ALA 57 -10.677 4.063 10.014 401 HB3 ALA 57 HB3 ALA 57 -10.979 4.985 8.543 402 H ALA 58 H ALA 58 -8.416 2.546 7.108 403 HA ALA 58 HA ALA 58 -8.990 3.770 4.589 404 HB1 ALA 58 HB1 ALA 58 -6.780 2.980 3.922 405 HB2 ALA 58 HB2 ALA 58 -6.693 1.980 5.372 406 HB3 ALA 58 HB3 ALA 58 -6.723 3.738 5.516 407 H LEU 59 H LEU 59 -9.196 0.566 5.891 408 HA LEU 59 HA LEU 59 -9.268 -0.908 3.490 409 HB2 LEU 59 HB2 LEU 59 -8.964 -1.815 5.815 410 HB3 LEU 59 HB3 LEU 59 -10.677 -1.569 6.076 411 HG LEU 59 HG LEU 59 -11.165 -3.162 4.242 412 HD11 LEU 59 HD11 LEU 59 -9.114 -2.866 2.956 413 HD12 LEU 59 HD12 LEU 59 -9.366 -4.563 3.368 414 HD13 LEU 59 HD13 LEU 59 -8.183 -3.604 4.258 415 HD21 LEU 59 HD21 LEU 59 -9.395 -4.191 6.457 416 HD22 LEU 59 HD22 LEU 59 -10.460 -5.187 5.464 417 HD23 LEU 59 HD23 LEU 59 -11.142 -3.956 6.527 418 H TYR 60 H TYR 60 -11.689 0.903 5.243 419 HA TYR 60 HA TYR 60 -13.965 -0.163 3.941 420 HB2 TYR 60 HB2 TYR 60 -13.942 1.221 6.075 421 HB3 TYR 60 HB3 TYR 60 -13.743 2.639 5.048 422 HD1 TYR 60 HD2 TYR 60 -15.954 -0.352 5.370 423 HD2 TYR 60 HD1 TYR 60 -15.665 3.779 4.398 424 HE1 TYR 60 HE2 TYR 60 -18.389 -0.263 5.061 425 HE2 TYR 60 HE1 TYR 60 -18.105 3.878 4.084 426 HH TYR 60 HH TYR 60 -20.185 1.410 5.144 427 H ALA 61 H ALA 61 -11.631 2.257 3.046 428 HA ALA 61 HA ALA 61 -13.076 3.425 0.905 429 HB1 ALA 61 HB1 ALA 61 -11.072 4.471 1.858 430 HB2 ALA 61 HB2 ALA 61 -10.909 4.230 0.118 431 HB3 ALA 61 HB3 ALA 61 -10.087 3.145 1.238 432 H VAL 62 H VAL 62 -10.990 0.624 1.204 433 HA VAL 62 HA VAL 62 -10.924 -0.142 -1.518 434 HB VAL 62 HB VAL 62 -10.720 -1.834 0.987 435 HG11 VAL 62 HG11 VAL 62 -9.617 -3.504 -0.400 436 HG12 VAL 62 HG12 VAL 62 -9.891 -2.509 -1.831 437 HG13 VAL 62 HG13 VAL 62 -11.262 -3.199 -0.961 438 HG21 VAL 62 HG21 VAL 62 -8.304 -1.683 0.644 439 HG22 VAL 62 HG22 VAL 62 -9.029 -0.094 0.892 440 HG23 VAL 62 HG23 VAL 62 -8.569 -0.609 -0.732 441 H LYS 63 H LYS 63 -13.128 -0.764 1.133 442 HA LYS 63 HA LYS 63 -14.754 -2.681 -0.151 443 HB2 LYS 63 HB2 LYS 63 -14.565 -2.035 2.354 444 HB3 LYS 63 HB3 LYS 63 -15.724 -0.775 1.974 445 HG2 LYS 63 HG2 LYS 63 -16.275 -3.659 1.364 446 HG3 LYS 63 HG3 LYS 63 -16.605 -2.959 2.948 447 HD2 LYS 63 HD2 LYS 63 -18.104 -1.334 1.943 448 HD3 LYS 63 HD3 LYS 63 -17.724 -1.952 0.334 449 HE2 LYS 63 HE2 LYS 63 -18.646 -4.139 0.983 450 HE3 LYS 63 HE3 LYS 63 -19.066 -3.477 2.561 451 HZ1 LYS 63 HZ1 LYS 63 -20.953 -3.491 1.042 452 HZ2 LYS 63 HZ2 LYS 63 -20.107 -2.493 -0.039 453 HZ3 LYS 63 HZ3 LYS 63 -20.536 -1.906 1.492 454 H LYS 64 H LYS 64 -14.842 0.848 -0.005 455 HA LYS 64 HA LYS 64 -17.304 1.072 -1.451 456 HB2 LYS 64 HB2 LYS 64 -16.673 2.879 0.010 457 HB3 LYS 64 HB3 LYS 64 -15.147 3.096 -0.836 458 HG2 LYS 64 HG2 LYS 64 -16.361 3.783 -2.845 459 HG3 LYS 64 HG3 LYS 64 -17.885 3.583 -1.986 460 HD2 LYS 64 HD2 LYS 64 -15.700 5.467 -1.117 461 HD3 LYS 64 HD3 LYS 64 -17.069 5.941 -2.124 462 HE2 LYS 64 HE2 LYS 64 -18.588 5.161 -0.323 463 HE3 LYS 64 HE3 LYS 64 -17.174 4.853 0.684 464 HZ1 LYS 64 HZ1 LYS 64 -16.613 7.176 0.605 465 HZ2 LYS 64 HZ2 LYS 64 -18.218 7.014 1.131 466 HZ3 LYS 64 HZ3 LYS 64 -17.894 7.496 -0.460 467 H ALA 65 H ALA 65 -13.880 1.425 -2.312 468 HA ALA 65 HA ALA 65 -14.230 2.437 -4.886 469 HB1 ALA 65 HB1 ALA 65 -11.952 0.744 -3.874 470 HB2 ALA 65 HB2 ALA 65 -12.110 2.489 -3.663 471 HB3 ALA 65 HB3 ALA 65 -11.920 1.810 -5.280 472 H SER 66 H SER 66 -14.300 -0.877 -3.750 473 HA SER 66 HA SER 66 -14.020 -2.134 -6.264 474 HB2 SER 66 HB2 SER 66 -15.237 -4.054 -5.000 475 HB3 SER 66 HB3 SER 66 -13.647 -3.539 -4.440 476 HG SER 66 HG SER 66 -14.513 -2.668 -2.695 477 H GLN 67 H GLN 67 -16.730 -0.661 -4.649 478 HA GLN 67 HA GLN 67 -18.690 -1.779 -6.458 479 HB2 GLN 67 HB2 GLN 67 -19.060 -1.067 -3.997 480 HB3 GLN 67 HB3 GLN 67 -19.169 0.565 -4.638 481 HG2 GLN 67 HG2 GLN 67 -21.025 -0.103 -6.061 482 HG3 GLN 67 HG3 GLN 67 -20.899 -1.754 -5.457 483 HE21 GLN 67 HE21 GLN 67 -21.675 -2.248 -3.439 484 HE22 GLN 67 HE22 GLN 67 -22.643 -1.157 -2.508 485 H LEU 68 H LEU 68 -16.857 1.183 -6.101 486 HA LEU 68 HA LEU 68 -18.305 2.617 -8.124 487 HB2 LEU 68 HB2 LEU 68 -15.811 3.104 -6.552 488 HB3 LEU 68 HB3 LEU 68 -16.084 4.044 -8.006 489 HG LEU 68 HG LEU 68 -18.206 4.871 -7.072 490 HD11 LEU 68 HD11 LEU 68 -17.413 3.343 -4.599 491 HD12 LEU 68 HD12 LEU 68 -18.785 2.990 -5.650 492 HD13 LEU 68 HD13 LEU 68 -18.748 4.488 -4.723 493 HD21 LEU 68 HD21 LEU 68 -15.832 5.261 -5.257 494 HD22 LEU 68 HD22 LEU 68 -17.239 6.319 -5.359 495 HD23 LEU 68 HD23 LEU 68 -16.161 6.147 -6.746 496 H GLY 69 H GLY 69 -15.636 0.421 -8.048 497 HA2 GLY 69 HA2 GLY 69 -15.028 -0.849 -9.951 498 HA3 GLY 69 HA3 GLY 69 -15.630 0.444 -10.977 499 H VAL 70 H VAL 70 -13.863 1.850 -8.565 500 HA VAL 70 HA VAL 70 -11.605 2.165 -10.396 501 HB VAL 70 HB VAL 70 -10.960 4.085 -8.915 502 HG11 VAL 70 HG11 VAL 70 -12.696 5.587 -9.766 503 HG12 VAL 70 HG12 VAL 70 -13.709 4.195 -10.152 504 HG13 VAL 70 HG13 VAL 70 -12.178 4.434 -10.994 505 HG21 VAL 70 HG21 VAL 70 -13.661 3.566 -7.671 506 HG22 VAL 70 HG22 VAL 70 -12.646 4.976 -7.374 507 HG23 VAL 70 HG23 VAL 70 -12.099 3.375 -6.877 508 H LYS 71 H LYS 71 -9.498 1.840 -9.790 509 HA LYS 71 HA LYS 71 -9.006 0.622 -7.162 510 HB2 LYS 71 HB2 LYS 71 -7.814 -0.359 -9.772 511 HB3 LYS 71 HB3 LYS 71 -7.486 -1.008 -8.176 512 HG2 LYS 71 HG2 LYS 71 -8.953 -2.553 -9.017 513 HG3 LYS 71 HG3 LYS 71 -10.043 -1.485 -8.134 514 HD2 LYS 71 HD2 LYS 71 -10.632 -0.341 -10.199 515 HD3 LYS 71 HD3 LYS 71 -9.486 -1.335 -11.100 516 HE2 LYS 71 HE2 LYS 71 -10.770 -3.335 -10.508 517 HE3 LYS 71 HE3 LYS 71 -11.918 -2.333 -9.622 518 HZ1 LYS 71 HZ1 LYS 71 -12.663 -2.943 -11.880 519 HZ2 LYS 71 HZ2 LYS 71 -11.365 -2.064 -12.531 520 HZ3 LYS 71 HZ3 LYS 71 -12.569 -1.265 -11.646 521 H ILE 72 H ILE 72 -6.403 0.404 -7.032 522 HA ILE 72 HA ILE 72 -5.296 2.929 -8.065 523 HB ILE 72 HB ILE 72 -3.665 2.934 -6.335 524 HG12 ILE 72 HG12 ILE 72 -3.995 0.906 -4.568 525 HG13 ILE 72 HG13 ILE 72 -4.350 0.069 -6.073 526 HG21 ILE 72 HG21 ILE 72 -6.271 2.070 -5.098 527 HG22 ILE 72 HG22 ILE 72 -5.863 3.701 -5.637 528 HG23 ILE 72 HG23 ILE 72 -4.985 2.971 -4.291 529 HD11 ILE 72 HD11 ILE 72 -2.014 -0.159 -5.457 530 HD12 ILE 72 HD12 ILE 72 -1.830 1.596 -5.464 531 HD13 ILE 72 HD13 ILE 72 -2.186 0.739 -6.965 532 H ARG 73 H ARG 73 -3.177 2.839 -9.044 533 HA ARG 73 HA ARG 73 -2.326 0.123 -9.739 534 HB2 ARG 73 HB2 ARG 73 -3.072 2.292 -11.654 535 HB3 ARG 73 HB3 ARG 73 -1.805 1.151 -12.091 536 HG2 ARG 73 HG2 ARG 73 -3.377 -0.704 -11.688 537 HG3 ARG 73 HG3 ARG 73 -4.644 0.473 -11.342 538 HD2 ARG 73 HD2 ARG 73 -4.661 1.259 -13.563 539 HD3 ARG 73 HD3 ARG 73 -3.126 0.473 -13.937 540 HE ARG 73 HE ARG 73 -4.764 -1.597 -13.283 541 HH11 ARG 73 HH11 ARG 73 -5.088 1.063 -15.555 542 HH12 ARG 73 HH12 ARG 73 -5.966 0.108 -16.717 543 HH21 ARG 73 HH21 ARG 73 -5.918 -2.821 -14.814 544 HH22 ARG 73 HH22 ARG 73 -6.437 -2.078 -16.299 545 H ILE 74 H ILE 74 -0.511 0.121 -8.576 546 HA ILE 74 HA ILE 74 1.504 2.166 -8.973 547 HB ILE 74 HB ILE 74 1.656 -0.490 -7.522 548 HG12 ILE 74 HG12 ILE 74 0.134 1.097 -6.440 549 HG13 ILE 74 HG13 ILE 74 1.588 0.871 -5.473 550 HG21 ILE 74 HG21 ILE 74 3.629 1.789 -7.598 551 HG22 ILE 74 HG22 ILE 74 3.851 0.189 -8.305 552 HG23 ILE 74 HG23 ILE 74 3.744 0.373 -6.555 553 HD11 ILE 74 HD11 ILE 74 0.913 3.201 -5.516 554 HD12 ILE 74 HD12 ILE 74 1.006 3.212 -7.278 555 HD13 ILE 74 HD13 ILE 74 2.469 2.989 -6.317 556 H LEU 75 H LEU 75 2.748 2.152 -10.721 557 HA LEU 75 HA LEU 75 2.672 0.100 -12.642 558 HB2 LEU 75 HB2 LEU 75 4.470 2.485 -12.291 559 HB3 LEU 75 HB3 LEU 75 4.689 1.353 -13.611 560 HG LEU 75 HG LEU 75 3.459 3.216 -14.450 561 HD11 LEU 75 HD11 LEU 75 1.575 0.915 -13.984 562 HD12 LEU 75 HD12 LEU 75 2.753 1.057 -15.290 563 HD13 LEU 75 HD13 LEU 75 1.390 2.172 -15.205 564 HD21 LEU 75 HD21 LEU 75 1.484 2.781 -12.212 565 HD22 LEU 75 HD22 LEU 75 1.337 3.962 -13.514 566 HD23 LEU 75 HD23 LEU 75 2.638 4.108 -12.332 567 H HIS 76 H HIS 76 3.520 -1.824 -12.475 568 HA HIS 76 HA HIS 76 6.247 -2.153 -11.521 569 HB2 HIS 76 HB2 HIS 76 5.633 -4.025 -10.028 570 HB3 HIS 76 HB3 HIS 76 4.927 -2.508 -9.492 571 HD1 HIS 76 HD1 HIS 76 2.756 -3.055 -8.457 572 HD2 HIS 76 HD2 HIS 76 3.390 -5.248 -11.938 573 HE1 HIS 76 HE1 HIS 76 0.657 -4.391 -8.816 574 HE2 HIS 76 HE2 HIS 76 1.180 -5.891 -10.769 575 H ASP 77 H ASP 77 6.953 -4.476 -11.875 576 HA ASP 77 HA ASP 77 6.252 -5.296 -14.527 577 HB2 ASP 77 HB2 ASP 77 7.973 -6.694 -12.459 578 HB3 ASP 77 HB3 ASP 77 7.881 -7.103 -14.170 579 H TYR 78 H TYR 78 5.500 -7.472 -15.076 580 HA TYR 78 HA TYR 78 3.883 -9.057 -15.049 581 HB2 TYR 78 HB2 TYR 78 4.417 -9.031 -12.071 582 HB3 TYR 78 HB3 TYR 78 3.383 -10.202 -12.877 583 HD1 TYR 78 HD2 TYR 78 4.421 -11.710 -14.636 584 HD2 TYR 78 HD1 TYR 78 6.746 -9.348 -11.967 585 HE1 TYR 78 HE2 TYR 78 6.371 -13.140 -15.078 586 HE2 TYR 78 HE1 TYR 78 8.703 -10.774 -12.401 587 HH TYR 78 HH TYR 78 9.173 -13.084 -13.174 588 H ALA 79 H ALA 79 2.786 -6.824 -15.563 589 HA ALA 79 HA ALA 79 0.714 -6.184 -13.601 590 HB1 ALA 79 HB1 ALA 79 0.221 -4.269 -15.004 591 HB2 ALA 79 HB2 ALA 79 1.342 -4.855 -16.233 592 HB3 ALA 79 HB3 ALA 79 1.949 -4.348 -14.656 593 H GLY 80 H GLY 80 1.084 -7.625 -16.782 594 HA2 GLY 80 HA2 GLY 80 -1.634 -7.401 -17.576 595 HA3 GLY 80 HA3 GLY 80 -0.422 -8.438 -18.308 596 H ILE 81 H ILE 81 -0.015 -9.638 -15.521 597 HA ILE 81 HA ILE 81 -1.576 -11.927 -15.907 598 HB ILE 81 HB ILE 81 0.548 -11.907 -14.668 599 HG12 ILE 81 HG12 ILE 81 -1.343 -13.657 -14.289 600 HG13 ILE 81 HG13 ILE 81 0.052 -13.647 -13.220 601 HG21 ILE 81 HG21 ILE 81 0.355 -9.845 -13.459 602 HG22 ILE 81 HG22 ILE 81 0.613 -11.164 -12.316 603 HG23 ILE 81 HG23 ILE 81 -0.998 -10.476 -12.519 604 HD11 ILE 81 HD11 ILE 81 -2.659 -12.486 -12.621 605 HD12 ILE 81 HD12 ILE 81 -1.263 -12.429 -11.546 606 HD13 ILE 81 HD13 ILE 81 -1.988 -13.980 -11.969 607 H ALA 82 H ALA 82 -2.209 -8.983 -14.133 608 HA ALA 82 HA ALA 82 -4.318 -10.037 -12.519 609 HB1 ALA 82 HB1 ALA 82 -4.736 -7.713 -11.906 610 HB2 ALA 82 HB2 ALA 82 -3.639 -7.174 -13.178 611 HB3 ALA 82 HB3 ALA 82 -3.019 -8.102 -11.812 612 H PHE 83 H PHE 83 -4.158 -9.239 -15.793 613 HA PHE 83 HA PHE 83 -6.785 -8.137 -16.092 614 HB2 PHE 83 HB2 PHE 83 -4.983 -7.668 -17.710 615 HB3 PHE 83 HB3 PHE 83 -4.953 -9.367 -18.167 616 HD1 PHE 83 HD2 PHE 83 -7.133 -6.366 -18.104 617 HD2 PHE 83 HD1 PHE 83 -6.357 -10.172 -19.841 618 HE1 PHE 83 HE2 PHE 83 -8.858 -5.936 -19.808 619 HE2 PHE 83 HE1 PHE 83 -8.079 -9.752 -21.546 620 HZ PHE 83 HZ PHE 83 -9.332 -7.632 -21.526 621 H TRP 84 H TRP 84 -5.380 -11.335 -16.189 622 HA TRP 84 HA TRP 84 -7.677 -12.623 -17.306 623 HB2 TRP 84 HB2 TRP 84 -5.463 -13.891 -15.680 624 HB3 TRP 84 HB3 TRP 84 -6.532 -14.686 -16.832 625 HD1 TRP 84 HD1 TRP 84 -3.170 -13.236 -16.598 626 HE1 TRP 84 HE1 TRP 84 -2.137 -12.897 -18.934 627 HE3 TRP 84 HE3 TRP 84 -7.380 -13.852 -19.431 628 HZ2 TRP 84 HZ2 TRP 84 -3.004 -12.888 -21.618 629 HZ3 TRP 84 HZ3 TRP 84 -7.192 -13.659 -21.872 630 HH2 TRP 84 HH2 TRP 84 -5.051 -13.186 -22.945 631 H ALA 85 H ALA 85 -6.785 -11.498 -14.231 632 HA ALA 85 HA ALA 85 -8.581 -13.260 -12.771 633 HB1 ALA 85 HB1 ALA 85 -6.382 -12.790 -11.829 634 HB2 ALA 85 HB2 ALA 85 -7.667 -12.205 -10.775 635 HB3 ALA 85 HB3 ALA 85 -6.765 -11.070 -11.777 636 H THR 86 H THR 86 -9.066 -10.616 -14.577 637 HA THR 86 HA THR 86 -10.203 -8.639 -13.023 638 HB THR 86 HB THR 86 -11.658 -8.177 -15.101 639 HG1 THR 86 HG1 THR 86 -9.887 -9.810 -16.521 640 HG21 THR 86 HG21 THR 86 -9.733 -7.287 -16.325 641 HG22 THR 86 HG22 THR 86 -8.649 -8.281 -15.351 642 HG23 THR 86 HG23 THR 86 -9.580 -6.988 -14.593 643 H GLY 87 H GLY 87 -11.775 -11.563 -14.270 644 HA2 GLY 87 HA2 GLY 87 -14.149 -10.833 -12.677 645 HA3 GLY 87 HA3 GLY 87 -14.201 -11.841 -14.116 646 H GLU 88 H GLU 88 -14.260 -13.954 -13.809 647 HA GLU 88 HA GLU 88 -13.621 -14.999 -11.159 648 HB2 GLU 88 HB2 GLU 88 -15.098 -16.203 -13.503 649 HB3 GLU 88 HB3 GLU 88 -14.736 -17.078 -12.024 650 HG2 GLU 88 HG2 GLU 88 -16.038 -15.444 -10.746 651 HG3 GLU 88 HG3 GLU 88 -16.419 -14.596 -12.243 652 H TRP 89 H TRP 89 -13.143 -16.020 -14.541 653 HA TRP 89 HA TRP 89 -10.343 -16.261 -14.229 654 HB2 TRP 89 HB2 TRP 89 -10.166 -18.721 -14.569 655 HB3 TRP 89 HB3 TRP 89 -10.833 -18.280 -13.004 656 HD1 TRP 89 HD1 TRP 89 -13.734 -18.354 -13.051 657 HE1 TRP 89 HE1 TRP 89 -15.179 -20.280 -13.977 658 HE3 TRP 89 HE3 TRP 89 -10.278 -20.544 -16.112 659 HZ2 TRP 89 HZ2 TRP 89 -14.874 -22.443 -15.760 660 HZ3 TRP 89 HZ3 TRP 89 -10.935 -22.545 -17.386 661 HH2 TRP 89 HH2 TRP 89 -13.186 -23.470 -17.209 662 H LYS 90 H LYS 90 -9.570 -15.697 -16.112 663 HA LYS 90 HA LYS 90 -11.165 -16.032 -18.519 664 HB2 LYS 90 HB2 LYS 90 -8.556 -14.605 -17.989 665 HB3 LYS 90 HB3 LYS 90 -9.297 -14.709 -19.577 666 HG2 LYS 90 HG2 LYS 90 -10.819 -13.578 -17.260 667 HG3 LYS 90 HG3 LYS 90 -9.654 -12.598 -18.144 668 HD2 LYS 90 HD2 LYS 90 -11.796 -12.187 -19.101 669 HD3 LYS 90 HD3 LYS 90 -10.892 -13.175 -20.246 670 HE2 LYS 90 HE2 LYS 90 -12.071 -15.162 -19.492 671 HE3 LYS 90 HE3 LYS 90 -12.941 -14.208 -18.291 672 HZ1 LYS 90 HZ1 LYS 90 -13.142 -13.921 -21.246 673 HZ2 LYS 90 HZ2 LYS 90 -13.915 -12.916 -20.125 674 HZ3 LYS 90 HZ3 LYS 90 -14.325 -14.563 -20.210 675 H ALA 91 H ALA 91 -10.985 -17.756 -19.730 676 HA ALA 91 HA ALA 91 -8.424 -19.220 -19.723 677 HB1 ALA 91 HB1 ALA 91 -9.695 -21.219 -20.311 678 HB2 ALA 91 HB2 ALA 91 -11.190 -20.283 -20.288 679 HB3 ALA 91 HB3 ALA 91 -10.271 -20.517 -18.799 680 H LYS 92 H LYS 92 -7.337 -18.406 -21.432 681 HA LYS 92 HA LYS 92 -8.615 -18.043 -24.000 682 HB2 LYS 92 HB2 LYS 92 -5.780 -17.806 -23.017 683 HB3 LYS 92 HB3 LYS 92 -6.162 -17.736 -24.731 684 HG2 LYS 92 HG2 LYS 92 -7.447 -15.913 -22.722 685 HG3 LYS 92 HG3 LYS 92 -5.923 -15.527 -23.523 686 HD2 LYS 92 HD2 LYS 92 -8.522 -16.133 -24.933 687 HD3 LYS 92 HD3 LYS 92 -7.883 -14.515 -24.638 688 HE2 LYS 92 HE2 LYS 92 -6.533 -16.674 -26.261 689 HE3 LYS 92 HE3 LYS 92 -7.401 -15.289 -26.919 690 HZ1 LYS 92 HZ1 LYS 92 -4.948 -15.161 -25.239 691 HZ2 LYS 92 HZ2 LYS 92 -5.786 -13.824 -25.854 692 HZ3 LYS 92 HZ3 LYS 92 -5.021 -14.904 -26.911 693 H ASN 93 H ASN 93 -6.273 -20.257 -22.554 694 HA ASN 93 HA ASN 93 -7.127 -22.330 -24.423 695 HB2 ASN 93 HB2 ASN 93 -4.315 -21.309 -24.149 696 HB3 ASN 93 HB3 ASN 93 -4.600 -23.000 -24.550 697 HD21 ASN 93 HD21 ASN 93 -3.407 -20.764 -26.080 698 HD22 ASN 93 HD22 ASN 93 -4.295 -20.716 -27.570 699 H GLU 94 H GLU 94 -4.479 -22.030 -22.083 700 HA GLU 94 HA GLU 94 -5.822 -23.840 -20.250 701 HB2 GLU 94 HB2 GLU 94 -4.722 -25.408 -21.722 702 HB3 GLU 94 HB3 GLU 94 -3.208 -24.520 -21.607 703 HG2 GLU 94 HG2 GLU 94 -3.049 -25.101 -19.240 704 HG3 GLU 94 HG3 GLU 94 -4.570 -25.984 -19.358 705 H PHE 95 H PHE 95 -2.641 -22.388 -20.942 706 HA PHE 95 HA PHE 95 -1.674 -22.271 -18.357 707 HB2 PHE 95 HB2 PHE 95 -1.141 -20.276 -20.566 708 HB3 PHE 95 HB3 PHE 95 -0.122 -20.567 -19.158 709 HD1 PHE 95 HD1 PHE 95 1.046 -22.758 -18.927 710 HD2 PHE 95 HD2 PHE 95 -1.002 -21.637 -22.481 711 HE1 PHE 95 HE1 PHE 95 2.271 -24.491 -20.175 712 HE2 PHE 95 HE2 PHE 95 0.218 -23.366 -23.735 713 HZ PHE 95 HZ PHE 95 1.856 -24.796 -22.585 714 H THR 96 H THR 96 -3.891 -20.115 -19.963 715 HA THR 96 HA THR 96 -3.753 -17.883 -18.296 716 HB THR 96 HB THR 96 -6.216 -17.597 -19.046 717 HG1 THR 96 HG1 THR 96 -6.757 -19.654 -19.643 718 HG21 THR 96 HG21 THR 96 -3.996 -17.842 -21.083 719 HG22 THR 96 HG22 THR 96 -4.333 -16.429 -20.082 720 HG23 THR 96 HG23 THR 96 -5.496 -16.940 -21.305 721 H GLN 97 H GLN 97 -5.295 -20.988 -17.786 722 HA GLN 97 HA GLN 97 -7.118 -20.274 -15.784 723 HB2 GLN 97 HB2 GLN 97 -6.350 -22.587 -17.069 724 HB3 GLN 97 HB3 GLN 97 -5.802 -22.864 -15.423 725 HG2 GLN 97 HG2 GLN 97 -8.599 -22.047 -16.146 726 HG3 GLN 97 HG3 GLN 97 -8.071 -23.712 -15.938 727 HE21 GLN 97 HE21 GLN 97 -8.804 -20.717 -14.358 728 HE22 GLN 97 HE22 GLN 97 -8.814 -21.328 -12.737 729 H ALA 98 H ALA 98 -3.679 -21.040 -15.678 730 HA ALA 98 HA ALA 98 -3.453 -21.049 -12.840 731 HB1 ALA 98 HB1 ALA 98 -1.808 -22.164 -14.250 732 HB2 ALA 98 HB2 ALA 98 -1.037 -20.943 -13.239 733 HB3 ALA 98 HB3 ALA 98 -1.337 -20.615 -14.946 734 H TYR 99 H TYR 99 -3.040 -18.617 -15.351 735 HA TYR 99 HA TYR 99 -2.103 -16.524 -13.720 736 HB2 TYR 99 HB2 TYR 99 -3.613 -16.542 -16.336 737 HB3 TYR 99 HB3 TYR 99 -2.987 -15.082 -15.600 738 HD1 TYR 99 HD2 TYR 99 -0.414 -15.076 -15.093 739 HD2 TYR 99 HD1 TYR 99 -2.310 -17.713 -17.836 740 HE1 TYR 99 HE2 TYR 99 1.738 -15.437 -16.225 741 HE2 TYR 99 HE1 TYR 99 -0.165 -18.083 -18.976 742 HH TYR 99 HH TYR 99 2.804 -17.160 -17.646 743 H ALA 100 H ALA 100 -5.336 -17.528 -14.722 744 HA ALA 100 HA ALA 100 -6.689 -15.344 -13.485 745 HB1 ALA 100 HB1 ALA 100 -7.744 -17.993 -14.452 746 HB2 ALA 100 HB2 ALA 100 -7.613 -16.515 -15.404 747 HB3 ALA 100 HB3 ALA 100 -8.718 -16.587 -14.033 748 H LYS 101 H LYS 101 -5.679 -18.508 -12.430 749 HA LYS 101 HA LYS 101 -7.344 -18.727 -10.160 750 HB2 LYS 101 HB2 LYS 101 -6.035 -20.605 -11.145 751 HB3 LYS 101 HB3 LYS 101 -4.564 -19.857 -10.543 752 HG2 LYS 101 HG2 LYS 101 -5.323 -20.136 -8.259 753 HG3 LYS 101 HG3 LYS 101 -6.847 -20.813 -8.830 754 HD2 LYS 101 HD2 LYS 101 -5.634 -22.673 -9.858 755 HD3 LYS 101 HD3 LYS 101 -4.111 -21.993 -9.283 756 HE2 LYS 101 HE2 LYS 101 -4.822 -22.278 -6.983 757 HE3 LYS 101 HE3 LYS 101 -6.395 -22.868 -7.517 758 HZ1 LYS 101 HZ1 LYS 101 -5.313 -24.765 -8.535 759 HZ2 LYS 101 HZ2 LYS 101 -4.905 -24.678 -6.888 760 HZ3 LYS 101 HZ3 LYS 101 -3.790 -24.186 -8.068 761 H LEU 102 H LEU 102 -4.605 -16.798 -10.866 762 HA LEU 102 HA LEU 102 -3.972 -16.211 -8.103 763 HB2 LEU 102 HB2 LEU 102 -3.012 -14.909 -10.655 764 HB3 LEU 102 HB3 LEU 102 -2.358 -14.619 -9.055 765 HG LEU 102 HG LEU 102 -2.243 -17.231 -10.561 766 HD11 LEU 102 HD11 LEU 102 0.144 -16.809 -10.693 767 HD12 LEU 102 HD12 LEU 102 -0.066 -15.269 -9.861 768 HD13 LEU 102 HD13 LEU 102 -0.758 -15.507 -11.464 769 HD21 LEU 102 HD21 LEU 102 -0.778 -17.963 -8.725 770 HD22 LEU 102 HD22 LEU 102 -2.422 -17.625 -8.182 771 HD23 LEU 102 HD23 LEU 102 -1.134 -16.462 -7.867 772 H MET 103 H MET 103 -6.678 -15.716 -9.151 773 HA MET 103 HA MET 103 -7.202 -12.995 -9.527 774 HB2 MET 103 HB2 MET 103 -8.838 -14.737 -9.992 775 HB3 MET 103 HB3 MET 103 -8.918 -15.156 -8.290 776 HG2 MET 103 HG2 MET 103 -9.593 -12.379 -9.117 777 HG3 MET 103 HG3 MET 103 -10.752 -13.671 -9.423 778 HE1 MET 103 HE1 MET 103 -11.893 -15.123 -7.547 779 HE2 MET 103 HE2 MET 103 -11.521 -14.987 -5.828 780 HE3 MET 103 HE3 MET 103 -10.312 -15.624 -6.944 781 H ASN 104 H ASN 104 -6.469 -14.793 -6.681 782 HA ASN 104 HA ASN 104 -7.543 -13.310 -4.622 783 HB2 ASN 104 HB2 ASN 104 -6.272 -15.473 -4.461 784 HB3 ASN 104 HB3 ASN 104 -4.784 -14.556 -4.630 785 HD21 ASN 104 HD21 ASN 104 -5.793 -16.255 -2.462 786 HD22 ASN 104 HD22 ASN 104 -5.764 -15.274 -1.039 787 H GLN 105 H GLN 105 -4.470 -12.671 -6.358 788 HA GLN 105 HA GLN 105 -3.810 -10.484 -4.655 789 HB2 GLN 105 HB2 GLN 105 -2.019 -10.056 -6.342 790 HB3 GLN 105 HB3 GLN 105 -2.001 -11.661 -5.647 791 HG2 GLN 105 HG2 GLN 105 -1.580 -12.044 -7.882 792 HG3 GLN 105 HG3 GLN 105 -3.306 -12.355 -7.744 793 HE21 GLN 105 HE21 GLN 105 -3.755 -11.963 -9.863 794 HE22 GLN 105 HE22 GLN 105 -3.667 -10.391 -10.577 795 H TYR 106 H TYR 106 -5.810 -10.829 -7.400 796 HA TYR 106 HA TYR 106 -5.725 -8.076 -8.217 797 HB2 TYR 106 HB2 TYR 106 -6.345 -9.842 -9.815 798 HB3 TYR 106 HB3 TYR 106 -7.745 -10.253 -8.830 799 HD1 TYR 106 HD1 TYR 106 -6.256 -7.506 -10.846 800 HD2 TYR 106 HD2 TYR 106 -9.801 -9.157 -9.171 801 HE1 TYR 106 HE1 TYR 106 -7.605 -5.884 -12.109 802 HE2 TYR 106 HE2 TYR 106 -11.157 -7.539 -10.431 803 HH TYR 106 HH TYR 106 -9.886 -5.636 -12.951 804 H ARG 107 H ARG 107 -7.628 -10.067 -6.060 805 HA ARG 107 HA ARG 107 -9.541 -8.022 -5.483 806 HB2 ARG 107 HB2 ARG 107 -8.876 -10.684 -4.268 807 HB3 ARG 107 HB3 ARG 107 -9.963 -9.579 -3.435 808 HG2 ARG 107 HG2 ARG 107 -11.287 -9.490 -5.600 809 HG3 ARG 107 HG3 ARG 107 -10.317 -10.872 -6.117 810 HD2 ARG 107 HD2 ARG 107 -11.102 -12.170 -4.231 811 HD3 ARG 107 HD3 ARG 107 -12.002 -10.779 -3.619 812 HE ARG 107 HE ARG 107 -12.618 -11.896 -6.272 813 HH11 ARG 107 HH11 ARG 107 -13.601 -11.151 -2.990 814 HH12 ARG 107 HH12 ARG 107 -15.292 -11.397 -3.307 815 HH21 ARG 107 HH21 ARG 107 -14.815 -12.229 -6.693 816 HH22 ARG 107 HH22 ARG 107 -15.986 -12.048 -5.410 817 H GLY 108 H GLY 108 -9.146 -6.275 -4.405 818 HA2 GLY 108 HA2 GLY 108 -8.268 -5.446 -2.158 819 HA3 GLY 108 HA3 GLY 108 -6.751 -6.168 -2.698 820 H ILE 109 H ILE 109 -8.769 -3.446 -2.825 821 HA ILE 109 HA ILE 109 -8.231 -2.444 -5.374 822 HB ILE 109 HB ILE 109 -9.027 -0.966 -2.869 823 HG12 ILE 109 HG12 ILE 109 -10.646 -2.655 -3.555 824 HG13 ILE 109 HG13 ILE 109 -11.284 -1.046 -3.872 825 HG21 ILE 109 HG21 ILE 109 -9.108 -0.010 -5.729 826 HG22 ILE 109 HG22 ILE 109 -8.042 0.589 -4.460 827 HG23 ILE 109 HG23 ILE 109 -9.781 0.838 -4.337 828 HD11 ILE 109 HD11 ILE 109 -11.793 -2.582 -5.684 829 HD12 ILE 109 HD12 ILE 109 -10.072 -2.894 -5.918 830 HD13 ILE 109 HD13 ILE 109 -10.729 -1.286 -6.234 831 H TYR 110 H TYR 110 -6.345 -2.206 -2.424 832 HA TYR 110 HA TYR 110 -4.514 -0.403 -3.855 833 HB2 TYR 110 HB2 TYR 110 -4.022 0.768 -1.925 834 HB3 TYR 110 HB3 TYR 110 -5.728 0.416 -1.692 835 HD1 TYR 110 HD2 TYR 110 -6.387 -1.423 -0.102 836 HD2 TYR 110 HD1 TYR 110 -2.379 -0.041 -0.441 837 HE1 TYR 110 HE2 TYR 110 -5.855 -2.443 2.073 838 HE2 TYR 110 HE1 TYR 110 -1.834 -1.058 1.729 839 HH TYR 110 HH TYR 110 -3.882 -3.269 3.289 840 H SER 111 H SER 111 -2.336 -0.766 -3.757 841 HA SER 111 HA SER 111 -1.193 -2.851 -2.137 842 HB2 SER 111 HB2 SER 111 -2.031 -4.114 -4.131 843 HB3 SER 111 HB3 SER 111 -1.045 -3.078 -5.162 844 HG SER 111 HG SER 111 0.696 -4.161 -4.605 845 H PHE 112 H PHE 112 1.266 -2.884 -2.598 846 HA PHE 112 HA PHE 112 2.295 -0.592 -3.997 847 HB2 PHE 112 HB2 PHE 112 1.714 0.424 -1.839 848 HB3 PHE 112 HB3 PHE 112 2.666 -0.795 -0.999 849 HD1 PHE 112 HD2 PHE 112 2.966 1.889 -3.556 850 HD2 PHE 112 HD1 PHE 112 4.894 -0.390 -0.523 851 HE1 PHE 112 HE2 PHE 112 4.963 3.307 -3.766 852 HE2 PHE 112 HE1 PHE 112 6.900 1.021 -0.731 853 HZ PHE 112 HZ PHE 112 6.934 2.871 -2.354 854 H GLU 113 H GLU 113 4.296 -0.923 -4.710 855 HA GLU 113 HA GLU 113 5.795 -3.208 -3.626 856 HB2 GLU 113 HB2 GLU 113 5.561 -2.322 -6.513 857 HB3 GLU 113 HB3 GLU 113 6.694 -3.534 -5.940 858 HG2 GLU 113 HG2 GLU 113 4.892 -4.710 -6.886 859 HG3 GLU 113 HG3 GLU 113 4.702 -4.857 -5.142 860 H LYS 114 H LYS 114 7.911 -2.819 -3.141 861 HA LYS 114 HA LYS 114 8.783 -0.070 -3.313 862 HB2 LYS 114 HB2 LYS 114 9.781 -2.497 -1.873 863 HB3 LYS 114 HB3 LYS 114 10.838 -1.115 -2.092 864 HG2 LYS 114 HG2 LYS 114 9.969 -0.391 -0.171 865 HG3 LYS 114 HG3 LYS 114 8.577 0.073 -1.147 866 HD2 LYS 114 HD2 LYS 114 7.812 -1.164 0.772 867 HD3 LYS 114 HD3 LYS 114 7.573 -2.151 -0.670 868 HE2 LYS 114 HE2 LYS 114 9.480 -3.486 -0.169 869 HE3 LYS 114 HE3 LYS 114 9.990 -2.387 1.110 870 HZ1 LYS 114 HZ1 LYS 114 8.103 -3.028 2.420 871 HZ2 LYS 114 HZ2 LYS 114 8.926 -4.429 1.942 872 HZ3 LYS 114 HZ3 LYS 114 7.484 -3.985 1.164 873 H VAL 115 H VAL 115 9.539 0.532 -5.180 874 HA VAL 115 HA VAL 115 11.715 -1.027 -6.403 875 HB VAL 115 HB VAL 115 11.106 -0.098 -8.595 876 HG11 VAL 115 HG11 VAL 115 8.825 -1.524 -7.231 877 HG12 VAL 115 HG12 VAL 115 10.219 -2.277 -8.009 878 HG13 VAL 115 HG13 VAL 115 9.044 -1.385 -8.975 879 HG21 VAL 115 HG21 VAL 115 8.720 1.058 -7.159 880 HG22 VAL 115 HG22 VAL 115 8.942 1.034 -8.909 881 HG23 VAL 115 HG23 VAL 115 10.042 1.966 -7.891 882 H LYS 116 H LYS 116 13.223 0.423 -7.680 883 HA LYS 116 HA LYS 116 14.512 2.259 -6.149 884 HB2 LYS 116 HB2 LYS 116 14.260 2.143 -9.151 885 HB3 LYS 116 HB3 LYS 116 15.348 3.255 -8.335 886 HG2 LYS 116 HG2 LYS 116 15.441 0.253 -8.105 887 HG3 LYS 116 HG3 LYS 116 16.487 1.237 -9.130 888 HD2 LYS 116 HD2 LYS 116 17.178 2.459 -7.027 889 HD3 LYS 116 HD3 LYS 116 16.354 1.188 -6.123 890 HE2 LYS 116 HE2 LYS 116 18.742 0.729 -6.302 891 HE3 LYS 116 HE3 LYS 116 17.801 -0.490 -7.161 892 HZ1 LYS 116 HZ1 LYS 116 18.448 0.331 -9.213 893 HZ2 LYS 116 HZ2 LYS 116 19.865 0.526 -8.296 894 HZ3 LYS 116 HZ3 LYS 116 18.862 1.857 -8.600 895 H ALA 117 H ALA 117 14.446 4.417 -5.747 896 HA ALA 117 HA ALA 117 11.993 5.553 -5.334 897 HB1 ALA 117 HB1 ALA 117 14.583 7.046 -5.664 898 HB2 ALA 117 HB2 ALA 117 14.039 6.240 -4.191 899 HB3 ALA 117 HB3 ALA 117 13.141 7.620 -4.825 900 H HIS 118 H HIS 118 10.736 7.094 -6.252 901 HA HIS 118 HA HIS 118 10.950 7.222 -9.157 902 HB2 HIS 118 HB2 HIS 118 8.709 8.047 -7.298 903 HB3 HIS 118 HB3 HIS 118 8.627 8.068 -9.054 904 HD1 HIS 118 HD1 HIS 118 7.703 6.020 -10.102 905 HD2 HIS 118 HD2 HIS 118 9.099 5.312 -6.250 906 HE1 HIS 118 HE1 HIS 118 7.078 3.641 -9.576 907 HE2 HIS 118 HE2 HIS 118 7.728 3.316 -7.158 908 H SER 119 H SER 119 10.372 9.486 -6.449 909 HA SER 119 HA SER 119 11.777 11.549 -7.949 910 HB2 SER 119 HB2 SER 119 8.910 11.940 -7.062 911 HB3 SER 119 HB3 SER 119 9.934 13.150 -7.834 912 HG SER 119 HG SER 119 10.034 11.073 -9.409 913 H GLY 120 H GLY 120 10.298 10.477 -4.937 914 HA2 GLY 120 HA2 GLY 120 10.907 11.018 -2.771 915 HA3 GLY 120 HA3 GLY 120 12.136 12.098 -3.421 916 H ASN 121 H ASN 121 8.591 11.859 -3.379 917 HA ASN 121 HA ASN 121 8.292 14.728 -3.320 918 HB2 ASN 121 HB2 ASN 121 6.683 13.216 -4.491 919 HB3 ASN 121 HB3 ASN 121 6.211 12.559 -2.928 920 HD21 ASN 121 HD21 ASN 121 6.033 15.265 -5.079 921 HD22 ASN 121 HD22 ASN 121 4.783 16.117 -4.228 922 H GLU 122 H GLU 122 6.977 15.775 -1.567 923 HA GLU 122 HA GLU 122 8.273 15.440 0.886 924 HB2 GLU 122 HB2 GLU 122 5.689 16.882 0.311 925 HB3 GLU 122 HB3 GLU 122 6.658 17.068 1.768 926 HG2 GLU 122 HG2 GLU 122 8.551 17.726 0.161 927 HG3 GLU 122 HG3 GLU 122 7.263 17.944 -1.025 928 H PHE 123 H PHE 123 5.238 14.127 -0.271 929 HA PHE 123 HA PHE 123 4.428 13.129 2.298 930 HB2 PHE 123 HB2 PHE 123 3.560 12.269 -0.474 931 HB3 PHE 123 HB3 PHE 123 2.781 11.792 1.028 932 HD1 PHE 123 HD1 PHE 123 2.203 13.947 2.567 933 HD2 PHE 123 HD2 PHE 123 2.496 13.885 -1.676 934 HE1 PHE 123 HE1 PHE 123 0.731 15.910 2.441 935 HE2 PHE 123 HE2 PHE 123 1.024 15.851 -1.813 936 HZ PHE 123 HZ PHE 123 0.137 16.865 0.247 937 H ASN 124 H ASN 124 6.359 12.040 -0.343 938 HA ASN 124 HA ASN 124 6.406 9.270 0.315 939 HB2 ASN 124 HB2 ASN 124 8.280 10.916 -1.402 940 HB3 ASN 124 HB3 ASN 124 8.247 9.157 -1.337 941 HD21 ASN 124 HD21 ASN 124 7.856 9.128 -3.575 942 HD22 ASN 124 HD22 ASN 124 6.278 9.476 -4.215 943 H ASP 125 H ASP 125 8.710 11.941 0.765 944 HA ASP 125 HA ASP 125 10.667 10.468 2.147 945 HB2 ASP 125 HB2 ASP 125 9.963 13.400 2.190 946 HB3 ASP 125 HB3 ASP 125 11.302 12.742 3.122 947 H TYR 126 H TYR 126 7.697 11.968 3.199 948 HA TYR 126 HA TYR 126 8.221 12.125 5.948 949 HB2 TYR 126 HB2 TYR 126 6.308 13.192 4.644 950 HB3 TYR 126 HB3 TYR 126 5.499 11.631 4.744 951 HD1 TYR 126 HD1 TYR 126 6.883 14.395 6.783 952 HD2 TYR 126 HD2 TYR 126 4.312 11.007 6.699 953 HE1 TYR 126 HE1 TYR 126 5.994 15.023 8.985 954 HE2 TYR 126 HE2 TYR 126 3.414 11.629 8.903 955 HH TYR 126 HH TYR 126 4.043 14.686 10.346 956 H VAL 127 H VAL 127 6.759 9.528 4.013 957 HA VAL 127 HA VAL 127 6.263 7.905 6.331 958 HB VAL 127 HB VAL 127 4.791 7.757 4.360 959 HG11 VAL 127 HG11 VAL 127 7.159 6.503 2.989 960 HG12 VAL 127 HG12 VAL 127 6.414 8.051 2.590 961 HG13 VAL 127 HG13 VAL 127 5.513 6.552 2.358 962 HG21 VAL 127 HG21 VAL 127 6.222 5.202 5.060 963 HG22 VAL 127 HG22 VAL 127 4.657 5.302 4.251 964 HG23 VAL 127 HG23 VAL 127 4.841 5.906 5.899 965 H ASP 128 H ASP 128 8.765 8.064 3.844 966 HA ASP 128 HA ASP 128 10.034 5.626 4.611 967 HB2 ASP 128 HB2 ASP 128 10.345 6.582 2.376 968 HB3 ASP 128 HB3 ASP 128 11.137 7.988 3.079 969 H MET 129 H MET 129 10.388 8.988 5.554 970 HA MET 129 HA MET 129 12.737 8.779 7.074 971 HB2 MET 129 HB2 MET 129 11.693 10.921 6.476 972 HB3 MET 129 HB3 MET 129 10.329 10.554 7.520 973 HG2 MET 129 HG2 MET 129 11.777 10.608 9.466 974 HG3 MET 129 HG3 MET 129 13.172 10.919 8.434 975 HE1 MET 129 HE1 MET 129 9.554 12.408 7.962 976 HE2 MET 129 HE2 MET 129 9.661 13.880 8.924 977 HE3 MET 129 HE3 MET 129 9.727 12.304 9.714 978 H LYS 130 H LYS 130 9.378 8.079 7.830 979 HA LYS 130 HA LYS 130 9.789 7.494 10.584 980 HB2 LYS 130 HB2 LYS 130 7.565 7.949 9.288 981 HB3 LYS 130 HB3 LYS 130 7.618 6.235 8.913 982 HG2 LYS 130 HG2 LYS 130 7.675 7.326 11.720 983 HG3 LYS 130 HG3 LYS 130 6.196 6.871 10.878 984 HD2 LYS 130 HD2 LYS 130 6.979 4.587 10.677 985 HD3 LYS 130 HD3 LYS 130 8.524 5.024 11.402 986 HE2 LYS 130 HE2 LYS 130 7.188 3.961 13.072 987 HE3 LYS 130 HE3 LYS 130 7.307 5.672 13.468 988 HZ1 LYS 130 HZ1 LYS 130 5.066 4.832 13.769 989 HZ2 LYS 130 HZ2 LYS 130 4.988 4.368 12.141 990 HZ3 LYS 130 HZ3 LYS 130 5.099 6.010 12.551 991 H ALA 131 H ALA 131 9.754 5.573 7.615 992 HA ALA 131 HA ALA 131 10.062 3.032 8.733 993 HB1 ALA 131 HB1 ALA 131 11.118 4.053 6.101 994 HB2 ALA 131 HB2 ALA 131 9.511 3.385 6.389 995 HB3 ALA 131 HB3 ALA 131 10.937 2.357 6.551 996 H LYS 132 H LYS 132 12.569 5.288 7.564 997 HA LYS 132 HA LYS 132 14.823 3.821 8.237 998 HB2 LYS 132 HB2 LYS 132 14.224 6.669 7.811 999 HB3 LYS 132 HB3 LYS 132 15.621 6.373 8.833 1000 HG2 LYS 132 HG2 LYS 132 16.332 6.640 6.557 1001 HG3 LYS 132 HG3 LYS 132 16.592 4.970 7.059 1002 HD2 LYS 132 HD2 LYS 132 14.616 4.265 5.866 1003 HD3 LYS 132 HD3 LYS 132 14.226 5.941 5.460 1004 HE2 LYS 132 HE2 LYS 132 16.378 6.082 4.225 1005 HE3 LYS 132 HE3 LYS 132 16.638 4.368 4.549 1006 HZ1 LYS 132 HZ1 LYS 132 14.744 3.806 3.256 1007 HZ2 LYS 132 HZ2 LYS 132 15.679 4.878 2.328 1008 HZ3 LYS 132 HZ3 LYS 132 14.270 5.429 3.105 1009 H SER 133 H SER 133 12.991 6.073 10.265 1010 HA SER 133 HA SER 133 14.623 5.889 12.539 1011 HB2 SER 133 HB2 SER 133 11.657 6.478 12.405 1012 HB3 SER 133 HB3 SER 133 12.739 6.883 13.738 1013 HG SER 133 HG SER 133 12.673 7.954 11.119 1014 H ALA 134 H ALA 134 11.838 3.984 11.488 1015 HA ALA 134 HA ALA 134 11.619 2.459 13.892 1016 HB1 ALA 134 HB1 ALA 134 10.595 1.789 11.135 1017 HB2 ALA 134 HB2 ALA 134 9.745 2.779 12.318 1018 HB3 ALA 134 HB3 ALA 134 10.060 1.077 12.657 1019 H LEU 135 H LEU 135 13.712 2.323 11.190 1020 HA LEU 135 HA LEU 135 14.382 -0.485 11.594 1021 HB2 LEU 135 HB2 LEU 135 15.455 1.549 9.637 1022 HB3 LEU 135 HB3 LEU 135 15.941 -0.134 9.696 1023 HG LEU 135 HG LEU 135 13.155 0.852 9.080 1024 HD11 LEU 135 HD11 LEU 135 13.621 0.106 6.802 1025 HD12 LEU 135 HD12 LEU 135 15.272 -0.298 7.266 1026 HD13 LEU 135 HD13 LEU 135 14.735 1.381 7.301 1027 HD21 LEU 135 HD21 LEU 135 13.175 -1.327 10.183 1028 HD22 LEU 135 HD22 LEU 135 14.327 -1.927 8.989 1029 HD23 LEU 135 HD23 LEU 135 12.699 -1.466 8.492 1030 H GLY 136 H GLY 136 15.218 2.459 12.901 1031 HA2 GLY 136 HA2 GLY 136 16.815 2.824 14.568 1032 HA3 GLY 136 HA3 GLY 136 17.595 1.318 14.109 1033 H ILE 137 H ILE 137 16.792 3.585 11.653 1034 HA ILE 137 HA ILE 137 19.639 4.128 11.228 1035 HB ILE 137 HB ILE 137 17.300 4.626 9.366 1036 HG12 ILE 137 HG12 ILE 137 19.336 2.387 9.329 1037 HG13 ILE 137 HG13 ILE 137 17.661 2.220 9.848 1038 HG21 ILE 137 HG21 ILE 137 19.208 6.074 8.910 1039 HG22 ILE 137 HG22 ILE 137 19.018 4.870 7.635 1040 HG23 ILE 137 HG23 ILE 137 20.274 4.671 8.855 1041 HD11 ILE 137 HD11 ILE 137 18.582 2.983 7.086 1042 HD12 ILE 137 HD12 ILE 137 16.906 2.794 7.606 1043 HD13 ILE 137 HD13 ILE 137 17.983 1.400 7.582 1044 H ARG 138 H ARG 138 20.407 6.249 11.012 1045 HA ARG 138 HA ARG 138 18.834 8.209 12.460 1046 HB2 ARG 138 HB2 ARG 138 21.687 8.144 11.494 1047 HB3 ARG 138 HB3 ARG 138 20.960 9.619 12.115 1048 HG2 ARG 138 HG2 ARG 138 22.190 8.593 13.875 1049 HG3 ARG 138 HG3 ARG 138 20.475 8.413 14.237 1050 HD2 ARG 138 HD2 ARG 138 21.609 6.353 14.737 1051 HD3 ARG 138 HD3 ARG 138 20.572 6.109 13.334 1052 HE ARG 138 HE ARG 138 22.748 6.509 12.030 1053 HH11 ARG 138 HH11 ARG 138 22.512 4.891 15.135 1054 HH12 ARG 138 HH12 ARG 138 23.963 3.967 14.898 1055 HH21 ARG 138 HH21 ARG 138 24.646 5.277 11.709 1056 HH22 ARG 138 HH22 ARG 138 25.165 4.173 12.947 1057 H ASP 139 H ASP 139 19.324 10.579 11.511 1058 HA ASP 139 HA ASP 139 17.763 10.855 9.214 1059 HB2 ASP 139 HB2 ASP 139 18.732 13.230 9.182 1060 HB3 ASP 139 HB3 ASP 139 17.828 12.732 10.605 1061 H LEU 140 H LEU 140 18.258 11.384 7.085 1062 HA LEU 140 HA LEU 140 20.198 9.517 6.211 1063 HB2 LEU 140 HB2 LEU 140 18.261 11.274 4.740 1064 HB3 LEU 140 HB3 LEU 140 19.378 10.215 3.905 1065 HG LEU 140 HG LEU 140 17.306 9.088 3.985 1066 HD11 LEU 140 HD11 LEU 140 19.210 7.664 4.421 1067 HD12 LEU 140 HD12 LEU 140 17.801 7.096 5.318 1068 HD13 LEU 140 HD13 LEU 140 19.080 7.982 6.151 1069 HD21 LEU 140 HD21 LEU 140 16.212 10.380 5.729 1070 HD22 LEU 140 HD22 LEU 140 17.236 9.624 6.950 1071 HD23 LEU 140 HD23 LEU 140 16.072 8.652 6.050 1072 H GLU 141 H GLU 141 19.819 12.931 5.173 1073 HA GLU 141 HA GLU 141 22.547 12.645 4.110 1074 HB2 GLU 141 HB2 GLU 141 20.511 13.077 2.595 1075 HB3 GLU 141 HB3 GLU 141 20.582 14.727 3.202 1076 HG2 GLU 141 HG2 GLU 141 21.745 14.431 1.048 1077 HG3 GLU 141 HG3 GLU 141 22.803 15.009 2.335 1078 H HIS 142 H HIS 142 21.817 13.554 6.872 1079 HA HIS 142 HA HIS 142 22.947 16.254 6.803 1080 HB2 HIS 142 HB2 HIS 142 21.887 14.596 9.092 1081 HB3 HIS 142 HB3 HIS 142 22.677 16.152 9.308 1082 HD1 HIS 142 HD1 HIS 142 19.533 15.025 9.599 1083 HD2 HIS 142 HD2 HIS 142 21.135 17.949 7.126 1084 HE1 HIS 142 HE1 HIS 142 17.604 16.520 8.986 1085 HE2 HIS 142 HE2 HIS 142 18.648 18.408 7.680 1086 H HIS 143 H HIS 143 24.746 16.730 8.283 1087 HA HIS 143 HA HIS 143 26.863 14.785 7.925 1088 HB2 HIS 143 HB2 HIS 143 26.901 17.448 7.769 1089 HB3 HIS 143 HB3 HIS 143 27.251 17.304 9.489 1090 HD1 HIS 143 HD1 HIS 143 28.834 17.364 6.267 1091 HD2 HIS 143 HD2 HIS 143 29.660 15.612 9.951 1092 HE1 HIS 143 HE1 HIS 143 31.277 16.770 6.206 1093 HE2 HIS 143 HE2 HIS 143 31.791 15.840 8.491 1094 H HIS 144 H HIS 144 25.215 13.503 9.451 1095 HA HIS 144 HA HIS 144 25.269 14.180 12.233 1096 HB2 HIS 144 HB2 HIS 144 23.384 12.993 11.016 1097 HB3 HIS 144 HB3 HIS 144 24.393 11.552 11.027 1098 HD1 HIS 144 HD1 HIS 144 21.591 12.554 12.665 1099 HD2 HIS 144 HD2 HIS 144 25.328 11.416 14.105 1100 HE1 HIS 144 HE1 HIS 144 21.217 11.826 15.042 1101 HE2 HIS 144 HE2 HIS 144 23.443 10.939 15.811 1102 H HIS 145 H HIS 145 27.644 14.236 12.357 1103 HA HIS 145 HA HIS 145 28.573 11.630 13.348 1104 HB2 HIS 145 HB2 HIS 145 30.234 13.595 11.745 1105 HB3 HIS 145 HB3 HIS 145 30.887 12.205 12.599 1106 HD1 HIS 145 HD1 HIS 145 30.852 12.865 9.421 1107 HD2 HIS 145 HD2 HIS 145 28.634 10.013 11.467 1108 HE1 HIS 145 HE1 HIS 145 30.212 11.144 7.702 1109 HE2 HIS 145 HE2 HIS 145 28.660 9.570 8.921 1110 H HIS 146 H HIS 146 29.875 11.776 15.220 1111 HA HIS 146 HA HIS 146 29.451 14.253 16.676 1112 HB2 HIS 146 HB2 HIS 146 30.481 11.544 17.494 1113 HB3 HIS 146 HB3 HIS 146 30.508 12.926 18.584 1114 HD1 HIS 146 HD1 HIS 146 28.015 14.081 18.901 1115 HD2 HIS 146 HD2 HIS 146 28.175 10.133 17.608 1116 HE1 HIS 146 HE1 HIS 146 25.751 13.107 19.399 1117 HE2 HIS 146 HE2 HIS 146 25.949 10.667 18.802 1118 H HIS 147 H HIS 147 31.557 13.764 14.471 1119 HA HIS 147 HA HIS 147 33.532 15.432 15.796 1120 HB2 HIS 147 HB2 HIS 147 34.418 13.078 15.877 1121 HB3 HIS 147 HB3 HIS 147 34.387 13.060 14.117 1122 HD1 HIS 147 HD1 HIS 147 36.952 12.827 13.906 1123 HD2 HIS 147 HD2 HIS 147 35.734 16.196 16.024 1124 HE1 HIS 147 HE1 HIS 147 39.003 14.264 14.137 1125 HE2 HIS 147 HE2 HIS 147 38.211 16.360 15.288 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -16.332 18.311 3.640 2 H2 MET 1 H2 MET 1 -17.367 16.982 3.450 3 H3 MET 1 H3 MET 1 -16.938 17.918 2.102 4 HA MET 1 HA MET 1 -14.638 17.241 2.336 5 HB2 MET 1 HB2 MET 1 -14.524 16.850 4.700 6 HB3 MET 1 HB3 MET 1 -15.777 15.619 4.615 7 HG2 MET 1 HG2 MET 1 -13.604 14.605 4.902 8 HG3 MET 1 HG3 MET 1 -14.284 14.180 3.334 9 HE1 MET 1 HE1 MET 1 -10.533 14.273 2.417 10 HE2 MET 1 HE2 MET 1 -12.047 13.373 2.332 11 HE3 MET 1 HE3 MET 1 -11.266 13.641 3.891 12 H ASP 2 H ASP 2 -14.295 16.072 0.578 13 HA ASP 2 HA ASP 2 -15.628 13.492 0.308 14 HB2 ASP 2 HB2 ASP 2 -17.057 15.061 -0.961 15 HB3 ASP 2 HB3 ASP 2 -15.659 15.549 -1.915 16 H ASP 3 H ASP 3 -14.350 11.973 -0.542 17 HA ASP 3 HA ASP 3 -11.970 12.754 -2.061 18 HB2 ASP 3 HB2 ASP 3 -10.535 11.275 -0.729 19 HB3 ASP 3 HB3 ASP 3 -11.240 12.528 0.286 20 H ARG 4 H ARG 4 -14.537 11.573 -2.723 21 HA ARG 4 HA ARG 4 -14.154 8.712 -2.898 22 HB2 ARG 4 HB2 ARG 4 -16.427 10.530 -3.678 23 HB3 ARG 4 HB3 ARG 4 -16.451 8.794 -3.951 24 HG2 ARG 4 HG2 ARG 4 -16.371 8.350 -1.609 25 HG3 ARG 4 HG3 ARG 4 -16.089 10.054 -1.242 26 HD2 ARG 4 HD2 ARG 4 -18.437 9.268 -0.869 27 HD3 ARG 4 HD3 ARG 4 -18.284 10.648 -1.956 28 HE ARG 4 HE ARG 4 -18.381 8.799 -3.764 29 HH11 ARG 4 HH11 ARG 4 -20.183 8.828 -0.757 30 HH12 ARG 4 HH12 ARG 4 -21.501 7.901 -1.398 31 HH21 ARG 4 HH21 ARG 4 -20.127 7.604 -4.608 32 HH22 ARG 4 HH22 ARG 4 -21.462 7.179 -3.571 33 H THR 5 H THR 5 -13.081 11.165 -4.814 34 HA THR 5 HA THR 5 -13.561 9.618 -7.270 35 HB THR 5 HB THR 5 -13.019 11.926 -8.387 36 HG1 THR 5 HG1 THR 5 -12.893 13.522 -7.018 37 HG21 THR 5 HG21 THR 5 -15.656 11.369 -7.021 38 HG22 THR 5 HG22 THR 5 -15.151 10.740 -8.589 39 HG23 THR 5 HG23 THR 5 -15.409 12.473 -8.375 40 H GLU 6 H GLU 6 -11.776 8.352 -7.202 41 HA GLU 6 HA GLU 6 -9.774 7.694 -7.991 42 HB2 GLU 6 HB2 GLU 6 -10.373 9.325 -9.800 43 HB3 GLU 6 HB3 GLU 6 -9.392 10.521 -8.965 44 HG2 GLU 6 HG2 GLU 6 -7.413 9.416 -9.435 45 HG3 GLU 6 HG3 GLU 6 -8.226 7.880 -9.740 46 H TYR 7 H TYR 7 -7.972 7.230 -6.930 47 HA TYR 7 HA TYR 7 -7.042 9.186 -4.931 48 HB2 TYR 7 HB2 TYR 7 -6.960 6.170 -4.920 49 HB3 TYR 7 HB3 TYR 7 -6.088 7.164 -3.760 50 HD1 TYR 7 HD1 TYR 7 -7.280 8.404 -2.039 51 HD2 TYR 7 HD2 TYR 7 -9.379 5.941 -4.805 52 HE1 TYR 7 HE1 TYR 7 -9.265 8.479 -0.592 53 HE2 TYR 7 HE2 TYR 7 -11.371 6.015 -3.364 54 HH TYR 7 HH TYR 7 -11.681 8.200 -0.764 55 H ASP 8 H ASP 8 -5.089 10.012 -5.161 56 HA ASP 8 HA ASP 8 -3.094 8.593 -6.791 57 HB2 ASP 8 HB2 ASP 8 -3.508 10.933 -7.442 58 HB3 ASP 8 HB3 ASP 8 -3.122 11.463 -5.808 59 H VAL 9 H VAL 9 -1.791 7.335 -5.641 60 HA VAL 9 HA VAL 9 -1.713 7.694 -2.741 61 HB VAL 9 HB VAL 9 -0.889 5.276 -4.358 62 HG11 VAL 9 HG11 VAL 9 -1.219 4.066 -2.247 63 HG12 VAL 9 HG12 VAL 9 -1.536 5.600 -1.434 64 HG13 VAL 9 HG13 VAL 9 0.053 5.284 -2.131 65 HG21 VAL 9 HG21 VAL 9 -3.068 4.333 -3.817 66 HG22 VAL 9 HG22 VAL 9 -3.236 5.811 -4.763 67 HG23 VAL 9 HG23 VAL 9 -3.534 5.839 -3.023 68 H TYR 10 H TYR 10 0.171 7.953 -1.598 69 HA TYR 10 HA TYR 10 2.516 8.649 -3.191 70 HB2 TYR 10 HB2 TYR 10 1.873 9.149 -0.282 71 HB3 TYR 10 HB3 TYR 10 3.367 9.644 -1.066 72 HD1 TYR 10 HD2 TYR 10 2.139 10.537 -3.706 73 HD2 TYR 10 HD1 TYR 10 1.036 11.262 0.339 74 HE1 TYR 10 HE2 TYR 10 1.077 12.650 -4.379 75 HE2 TYR 10 HE1 TYR 10 -0.031 13.377 -0.325 76 HH TYR 10 HH TYR 10 -0.681 14.175 -3.552 77 H THR 11 H THR 11 4.655 8.235 -2.029 78 HA THR 11 HA THR 11 6.281 6.820 -1.377 79 HB THR 11 HB THR 11 4.126 5.191 -0.022 80 HG1 THR 11 HG1 THR 11 5.011 7.667 0.485 81 HG21 THR 11 HG21 THR 11 6.258 4.016 -0.260 82 HG22 THR 11 HG22 THR 11 5.976 4.456 1.424 83 HG23 THR 11 HG23 THR 11 7.108 5.394 0.446 84 H ASP 12 H ASP 12 7.103 5.913 -3.133 85 HA ASP 12 HA ASP 12 5.650 4.149 -4.841 86 HB2 ASP 12 HB2 ASP 12 7.463 5.641 -5.636 87 HB3 ASP 12 HB3 ASP 12 8.629 4.689 -4.725 88 H GLY 13 H GLY 13 7.368 3.713 -1.954 89 HA2 GLY 13 HA2 GLY 13 7.757 1.793 -0.716 90 HA3 GLY 13 HA3 GLY 13 7.042 0.852 -2.025 91 H SER 14 H SER 14 9.677 3.129 -2.263 92 HA SER 14 HA SER 14 11.310 1.039 -3.475 93 HB2 SER 14 HB2 SER 14 12.681 3.115 -4.174 94 HB3 SER 14 HB3 SER 14 11.104 2.874 -4.925 95 HG SER 14 HG SER 14 11.281 4.405 -2.565 96 H TYR 15 H TYR 15 13.485 0.716 -2.881 97 HA TYR 15 HA TYR 15 14.150 1.019 -0.156 98 HB2 TYR 15 HB2 TYR 15 16.397 0.243 -0.816 99 HB3 TYR 15 HB3 TYR 15 15.138 -0.754 -1.535 100 HD1 TYR 15 HD1 TYR 15 14.620 -0.510 -3.968 101 HD2 TYR 15 HD2 TYR 15 17.930 1.463 -2.168 102 HE1 TYR 15 HE1 TYR 15 15.602 -0.140 -6.192 103 HE2 TYR 15 HE2 TYR 15 18.922 1.834 -4.385 104 HH TYR 15 HH TYR 15 18.818 0.844 -6.638 105 H VAL 16 H VAL 16 15.497 2.488 0.883 106 HA VAL 16 HA VAL 16 16.049 4.918 -0.686 107 HB VAL 16 HB VAL 16 14.139 5.340 0.728 108 HG11 VAL 16 HG11 VAL 16 14.261 5.195 3.176 109 HG12 VAL 16 HG12 VAL 16 15.864 4.474 3.043 110 HG13 VAL 16 HG13 VAL 16 14.459 3.621 2.404 111 HG21 VAL 16 HG21 VAL 16 14.950 7.247 2.021 112 HG22 VAL 16 HG22 VAL 16 15.716 7.172 0.435 113 HG23 VAL 16 HG23 VAL 16 16.603 6.651 1.867 114 H ASN 17 H ASN 17 18.094 5.380 -0.815 115 HA ASN 17 HA ASN 17 20.282 5.722 -0.319 116 HB2 ASN 17 HB2 ASN 17 19.323 5.567 2.546 117 HB3 ASN 17 HB3 ASN 17 20.899 6.157 2.036 118 HD21 ASN 17 HD21 ASN 17 19.874 7.550 -0.306 119 HD22 ASN 17 HD22 ASN 17 19.046 8.948 0.298 120 H GLY 18 H GLY 18 19.219 2.929 -0.525 121 HA2 GLY 18 HA2 GLY 18 20.699 1.079 -0.829 122 HA3 GLY 18 HA3 GLY 18 21.685 1.695 0.486 123 H GLN 19 H GLN 19 18.898 2.065 1.896 124 HA GLN 19 HA GLN 19 18.820 -0.704 2.876 125 HB2 GLN 19 HB2 GLN 19 17.717 0.302 4.918 126 HB3 GLN 19 HB3 GLN 19 19.401 0.735 4.672 127 HG2 GLN 19 HG2 GLN 19 18.619 2.872 3.647 128 HG3 GLN 19 HG3 GLN 19 16.983 2.437 4.136 129 HE21 GLN 19 HE21 GLN 19 20.140 3.417 5.215 130 HE22 GLN 19 HE22 GLN 19 19.675 3.831 6.828 131 H TYR 20 H TYR 20 17.073 -1.893 2.572 132 HA TYR 20 HA TYR 20 14.820 -0.630 1.203 133 HB2 TYR 20 HB2 TYR 20 15.829 -2.495 0.021 134 HB3 TYR 20 HB3 TYR 20 15.634 -3.536 1.428 135 HD1 TYR 20 HD1 TYR 20 13.726 -1.649 -1.154 136 HD2 TYR 20 HD2 TYR 20 13.646 -4.752 1.760 137 HE1 TYR 20 HE1 TYR 20 11.519 -2.360 -1.974 138 HE2 TYR 20 HE2 TYR 20 11.441 -5.468 0.945 139 HH TYR 20 HH TYR 20 10.152 -4.474 -1.983 140 H ALA 21 H ALA 21 12.856 -0.525 1.994 141 HA ALA 21 HA ALA 21 11.928 -2.332 4.060 142 HB1 ALA 21 HB1 ALA 21 11.133 -0.516 5.505 143 HB2 ALA 21 HB2 ALA 21 11.893 0.666 4.440 144 HB3 ALA 21 HB3 ALA 21 12.889 -0.471 5.348 145 H TRP 22 H TRP 22 9.562 -2.327 4.153 146 HA TRP 22 HA TRP 22 8.444 -1.300 1.653 147 HB2 TRP 22 HB2 TRP 22 6.493 -2.789 2.146 148 HB3 TRP 22 HB3 TRP 22 8.013 -3.640 1.927 149 HD1 TRP 22 HD1 TRP 22 9.101 -4.781 4.119 150 HE1 TRP 22 HE1 TRP 22 8.008 -5.607 6.300 151 HE3 TRP 22 HE3 TRP 22 4.657 -2.273 3.795 152 HZ2 TRP 22 HZ2 TRP 22 5.592 -5.228 7.699 153 HZ3 TRP 22 HZ3 TRP 22 3.008 -2.560 5.599 154 HH2 TRP 22 HH2 TRP 22 3.467 -4.008 7.509 155 H ALA 23 H ALA 23 6.950 0.246 1.572 156 HA ALA 23 HA ALA 23 5.894 1.329 4.072 157 HB1 ALA 23 HB1 ALA 23 6.730 3.557 3.539 158 HB2 ALA 23 HB2 ALA 23 7.547 2.920 2.113 159 HB3 ALA 23 HB3 ALA 23 8.055 2.409 3.723 160 H TYR 24 H TYR 24 4.082 2.684 3.804 161 HA TYR 24 HA TYR 24 3.049 3.101 1.108 162 HB2 TYR 24 HB2 TYR 24 1.468 1.643 3.245 163 HB3 TYR 24 HB3 TYR 24 0.844 2.147 1.678 164 HD1 TYR 24 HD1 TYR 24 1.796 1.090 -0.401 165 HD2 TYR 24 HD2 TYR 24 2.626 -0.397 3.497 166 HE1 TYR 24 HE1 TYR 24 2.526 -1.046 -1.375 167 HE2 TYR 24 HE2 TYR 24 3.365 -2.534 2.532 168 HH TYR 24 HH TYR 24 3.048 -3.839 0.487 169 H ALA 25 H ALA 25 1.749 4.889 0.933 170 HA ALA 25 HA ALA 25 0.880 6.201 3.410 171 HB1 ALA 25 HB1 ALA 25 2.256 7.597 1.119 172 HB2 ALA 25 HB2 ALA 25 2.918 7.332 2.732 173 HB3 ALA 25 HB3 ALA 25 1.524 8.391 2.513 174 H PHE 26 H PHE 26 -1.274 5.948 3.217 175 HA PHE 26 HA PHE 26 -2.533 6.360 0.623 176 HB2 PHE 26 HB2 PHE 26 -3.576 5.320 3.254 177 HB3 PHE 26 HB3 PHE 26 -4.624 5.638 1.873 178 HD1 PHE 26 HD2 PHE 26 -1.973 3.485 3.209 179 HD2 PHE 26 HD1 PHE 26 -4.564 4.236 -0.084 180 HE1 PHE 26 HE2 PHE 26 -1.454 1.258 2.298 181 HE2 PHE 26 HE1 PHE 26 -4.047 2.012 -1.000 182 HZ PHE 26 HZ PHE 26 -2.491 0.521 0.191 183 H VAL 27 H VAL 27 -3.244 8.218 0.036 184 HA VAL 27 HA VAL 27 -3.829 10.257 2.073 185 HB VAL 27 HB VAL 27 -1.812 10.921 1.044 186 HG11 VAL 27 HG11 VAL 27 -1.855 9.310 -0.792 187 HG12 VAL 27 HG12 VAL 27 -1.435 10.927 -1.360 188 HG13 VAL 27 HG13 VAL 27 -3.059 10.293 -1.624 189 HG21 VAL 27 HG21 VAL 27 -2.361 12.911 -0.263 190 HG22 VAL 27 HG22 VAL 27 -3.433 12.749 1.128 191 HG23 VAL 27 HG23 VAL 27 -4.006 12.316 -0.482 192 H LYS 28 H LYS 28 -5.601 11.550 1.800 193 HA LYS 28 HA LYS 28 -7.217 11.231 -0.627 194 HB2 LYS 28 HB2 LYS 28 -9.274 11.079 0.741 195 HB3 LYS 28 HB3 LYS 28 -8.211 9.697 0.975 196 HG2 LYS 28 HG2 LYS 28 -7.487 10.527 3.095 197 HG3 LYS 28 HG3 LYS 28 -8.317 12.061 2.838 198 HD2 LYS 28 HD2 LYS 28 -9.692 10.835 4.306 199 HD3 LYS 28 HD3 LYS 28 -10.465 10.723 2.727 200 HE2 LYS 28 HE2 LYS 28 -8.643 8.601 3.851 201 HE3 LYS 28 HE3 LYS 28 -10.393 8.587 4.051 202 HZ1 LYS 28 HZ1 LYS 28 -10.532 8.646 1.562 203 HZ2 LYS 28 HZ2 LYS 28 -9.887 7.218 2.215 204 HZ3 LYS 28 HZ3 LYS 28 -8.857 8.365 1.525 205 H ASP 29 H ASP 29 -8.122 13.100 -1.322 206 HA ASP 29 HA ASP 29 -8.581 15.321 -1.499 207 HB2 ASP 29 HB2 ASP 29 -10.118 14.843 0.359 208 HB3 ASP 29 HB3 ASP 29 -8.831 15.157 1.514 209 H GLY 30 H GLY 30 -5.780 14.272 -0.743 210 HA2 GLY 30 HA2 GLY 30 -3.794 15.521 -1.111 211 HA3 GLY 30 HA3 GLY 30 -4.607 16.949 -0.490 212 H LYS 31 H LYS 31 -5.543 14.822 1.686 213 HA LYS 31 HA LYS 31 -3.162 15.255 3.363 214 HB2 LYS 31 HB2 LYS 31 -5.983 14.738 4.293 215 HB3 LYS 31 HB3 LYS 31 -4.611 15.194 5.288 216 HG2 LYS 31 HG2 LYS 31 -5.909 16.910 3.184 217 HG3 LYS 31 HG3 LYS 31 -6.105 17.077 4.930 218 HD2 LYS 31 HD2 LYS 31 -3.718 17.551 5.158 219 HD3 LYS 31 HD3 LYS 31 -3.508 17.362 3.416 220 HE2 LYS 31 HE2 LYS 31 -5.021 19.236 3.026 221 HE3 LYS 31 HE3 LYS 31 -5.253 19.414 4.763 222 HZ1 LYS 31 HZ1 LYS 31 -2.747 19.840 3.237 223 HZ2 LYS 31 HZ2 LYS 31 -2.820 19.812 4.929 224 HZ3 LYS 31 HZ3 LYS 31 -3.660 21.008 4.062 225 H VAL 32 H VAL 32 -2.118 13.555 4.144 226 HA VAL 32 HA VAL 32 -2.963 10.901 3.432 227 HB VAL 32 HB VAL 32 -0.587 11.454 3.327 228 HG11 VAL 32 HG11 VAL 32 0.735 11.820 5.359 229 HG12 VAL 32 HG12 VAL 32 -0.750 11.842 6.312 230 HG13 VAL 32 HG13 VAL 32 -0.458 13.094 5.105 231 HG21 VAL 32 HG21 VAL 32 0.319 9.554 4.599 232 HG22 VAL 32 HG22 VAL 32 -1.152 9.140 3.718 233 HG23 VAL 32 HG23 VAL 32 -1.217 9.417 5.458 234 H HIS 33 H HIS 33 -3.942 9.424 4.717 235 HA HIS 33 HA HIS 33 -5.082 10.376 7.182 236 HB2 HIS 33 HB2 HIS 33 -6.324 8.927 5.579 237 HB3 HIS 33 HB3 HIS 33 -5.225 7.608 5.964 238 HD1 HIS 33 HD1 HIS 33 -6.128 6.037 7.643 239 HD2 HIS 33 HD2 HIS 33 -7.652 9.886 8.130 240 HE1 HIS 33 HE1 HIS 33 -7.784 5.886 9.534 241 HE2 HIS 33 HE2 HIS 33 -8.812 8.184 9.690 242 H TYR 34 H TYR 34 -3.151 7.485 6.392 243 HA TYR 34 HA TYR 34 -1.509 8.027 8.736 244 HB2 TYR 34 HB2 TYR 34 -3.238 5.647 8.393 245 HB3 TYR 34 HB3 TYR 34 -1.600 5.347 8.968 246 HD1 TYR 34 HD2 TYR 34 -0.835 6.297 11.091 247 HD2 TYR 34 HD1 TYR 34 -4.867 6.742 9.801 248 HE1 TYR 34 HE2 TYR 34 -1.482 6.952 13.368 249 HE2 TYR 34 HE1 TYR 34 -5.524 7.405 12.076 250 HH TYR 34 HH TYR 34 -3.209 8.178 14.499 251 H GLU 35 H GLU 35 0.568 7.349 8.574 252 HA GLU 35 HA GLU 35 1.383 5.954 6.139 253 HB2 GLU 35 HB2 GLU 35 3.086 7.590 5.629 254 HB3 GLU 35 HB3 GLU 35 1.532 8.397 5.711 255 HG2 GLU 35 HG2 GLU 35 3.684 8.443 7.818 256 HG3 GLU 35 HG3 GLU 35 3.265 9.748 6.716 257 H ASP 36 H ASP 36 2.932 4.461 6.511 258 HA ASP 36 HA ASP 36 4.737 4.694 8.746 259 HB2 ASP 36 HB2 ASP 36 2.401 3.736 9.538 260 HB3 ASP 36 HB3 ASP 36 3.029 2.241 8.850 261 H ALA 37 H ALA 37 6.024 2.497 8.930 262 HA ALA 37 HA ALA 37 6.304 1.122 6.408 263 HB1 ALA 37 HB1 ALA 37 7.462 3.236 5.937 264 HB2 ALA 37 HB2 ALA 37 8.576 1.868 5.943 265 HB3 ALA 37 HB3 ALA 37 8.513 2.963 7.325 266 H ASP 38 H ASP 38 7.680 -0.693 6.534 267 HA ASP 38 HA ASP 38 9.074 -1.192 9.036 268 HB2 ASP 38 HB2 ASP 38 6.548 -2.067 9.011 269 HB3 ASP 38 HB3 ASP 38 7.292 -3.412 8.150 270 H VAL 39 H VAL 39 10.013 -3.625 8.801 271 HA VAL 39 HA VAL 39 11.237 -3.632 6.111 272 HB VAL 39 HB VAL 39 12.671 -4.575 8.574 273 HG11 VAL 39 HG11 VAL 39 13.634 -3.654 5.877 274 HG12 VAL 39 HG12 VAL 39 13.590 -5.314 6.471 275 HG13 VAL 39 HG13 VAL 39 14.670 -4.139 7.220 276 HG21 VAL 39 HG21 VAL 39 12.050 -2.255 8.983 277 HG22 VAL 39 HG22 VAL 39 12.740 -1.788 7.428 278 HG23 VAL 39 HG23 VAL 39 13.787 -2.401 8.709 279 H GLY 40 H GLY 40 11.708 -5.593 5.178 280 HA2 GLY 40 HA2 GLY 40 11.732 -7.886 4.868 281 HA3 GLY 40 HA3 GLY 40 11.241 -8.083 6.541 282 H LYS 41 H LYS 41 10.303 -8.505 3.395 283 HA LYS 41 HA LYS 41 7.461 -8.079 3.855 284 HB2 LYS 41 HB2 LYS 41 9.022 -9.079 1.473 285 HB3 LYS 41 HB3 LYS 41 7.266 -9.031 1.512 286 HG2 LYS 41 HG2 LYS 41 7.355 -6.599 1.852 287 HG3 LYS 41 HG3 LYS 41 9.116 -6.668 1.765 288 HD2 LYS 41 HD2 LYS 41 7.303 -7.633 -0.442 289 HD3 LYS 41 HD3 LYS 41 7.960 -5.997 -0.369 290 HE2 LYS 41 HE2 LYS 41 10.188 -6.795 -0.560 291 HE3 LYS 41 HE3 LYS 41 9.681 -8.464 -0.304 292 HZ1 LYS 41 HZ1 LYS 41 8.711 -8.562 -2.410 293 HZ2 LYS 41 HZ2 LYS 41 10.183 -7.756 -2.675 294 HZ3 LYS 41 HZ3 LYS 41 8.731 -6.883 -2.620 295 H ASN 42 H ASN 42 6.864 -9.537 5.403 296 HA ASN 42 HA ASN 42 6.972 -12.372 4.603 297 HB2 ASN 42 HB2 ASN 42 7.302 -11.174 7.358 298 HB3 ASN 42 HB3 ASN 42 6.876 -12.865 7.115 299 HD21 ASN 42 HD21 ASN 42 9.364 -10.483 6.969 300 HD22 ASN 42 HD22 ASN 42 10.672 -11.571 6.651 301 HA PRO 43 HA PRO 43 2.542 -12.380 4.891 302 HB2 PRO 43 HB2 PRO 43 2.795 -14.990 6.279 303 HB3 PRO 43 HB3 PRO 43 1.913 -14.582 4.802 304 HG2 PRO 43 HG2 PRO 43 4.185 -15.970 4.698 305 HG3 PRO 43 HG3 PRO 43 3.799 -14.747 3.472 306 HD2 PRO 43 HD2 PRO 43 5.676 -14.573 5.797 307 HD3 PRO 43 HD3 PRO 43 5.861 -13.939 4.149 308 H ALA 44 H ALA 44 4.389 -13.387 7.732 309 HA ALA 44 HA ALA 44 2.310 -12.772 9.609 310 HB1 ALA 44 HB1 ALA 44 4.020 -14.437 10.104 311 HB2 ALA 44 HB2 ALA 44 4.035 -13.145 11.304 312 HB3 ALA 44 HB3 ALA 44 5.264 -13.191 10.040 313 H ALA 45 H ALA 45 4.351 -10.886 7.774 314 HA ALA 45 HA ALA 45 4.553 -8.740 9.755 315 HB1 ALA 45 HB1 ALA 45 6.612 -9.340 8.596 316 HB2 ALA 45 HB2 ALA 45 6.121 -7.694 8.197 317 HB3 ALA 45 HB3 ALA 45 5.848 -8.999 7.043 318 H ALA 46 H ALA 46 2.266 -9.728 7.747 319 HA ALA 46 HA ALA 46 1.604 -7.746 5.961 320 HB1 ALA 46 HB1 ALA 46 0.367 -9.842 6.164 321 HB2 ALA 46 HB2 ALA 46 -0.719 -8.455 6.198 322 HB3 ALA 46 HB3 ALA 46 -0.319 -9.298 7.695 323 H THR 47 H THR 47 0.719 -7.859 9.412 324 HA THR 47 HA THR 47 0.021 -5.019 9.281 325 HB THR 47 HB THR 47 -0.074 -6.887 11.665 326 HG1 THR 47 HG1 THR 47 -1.511 -7.148 9.604 327 HG21 THR 47 HG21 THR 47 -1.590 -5.201 12.610 328 HG22 THR 47 HG22 THR 47 -1.357 -4.189 11.183 329 HG23 THR 47 HG23 THR 47 -0.003 -4.514 12.267 330 H MET 48 H MET 48 1.938 -7.076 11.440 331 HA MET 48 HA MET 48 4.017 -6.986 12.274 332 HB2 MET 48 HB2 MET 48 4.611 -6.492 9.882 333 HB3 MET 48 HB3 MET 48 4.611 -4.786 10.302 334 HG2 MET 48 HG2 MET 48 6.853 -5.451 10.367 335 HG3 MET 48 HG3 MET 48 6.346 -5.355 12.049 336 HE1 MET 48 HE1 MET 48 6.361 -7.393 13.717 337 HE2 MET 48 HE2 MET 48 6.193 -9.062 13.171 338 HE3 MET 48 HE3 MET 48 4.917 -7.892 12.835 339 H ARG 49 H ARG 49 3.089 -3.634 11.514 340 HA ARG 49 HA ARG 49 3.635 -2.962 14.326 341 HB2 ARG 49 HB2 ARG 49 5.461 -2.148 12.847 342 HB3 ARG 49 HB3 ARG 49 4.279 -1.204 11.951 343 HG2 ARG 49 HG2 ARG 49 3.867 0.213 13.807 344 HG3 ARG 49 HG3 ARG 49 4.766 -0.846 14.896 345 HD2 ARG 49 HD2 ARG 49 6.829 -0.344 13.701 346 HD3 ARG 49 HD3 ARG 49 5.941 0.678 12.573 347 HE ARG 49 HE ARG 49 5.464 2.159 14.472 348 HH11 ARG 49 HH11 ARG 49 8.092 -0.152 14.827 349 HH12 ARG 49 HH12 ARG 49 8.952 0.828 15.974 350 HH21 ARG 49 HH21 ARG 49 6.623 3.448 15.973 351 HH22 ARG 49 HH22 ARG 49 8.136 2.863 16.614 352 H ASN 50 H ASN 50 2.311 -1.202 11.495 353 HA ASN 50 HA ASN 50 -0.328 -1.162 12.669 354 HB2 ASN 50 HB2 ASN 50 0.769 0.598 13.969 355 HB3 ASN 50 HB3 ASN 50 1.279 1.399 12.490 356 HD21 ASN 50 HD21 ASN 50 -1.461 0.571 14.503 357 HD22 ASN 50 HD22 ASN 50 -2.528 1.783 13.874 358 H VAL 51 H VAL 51 1.694 -1.023 10.045 359 HA VAL 51 HA VAL 51 0.569 0.826 8.298 360 HB VAL 51 HB VAL 51 1.841 -1.775 7.452 361 HG11 VAL 51 HG11 VAL 51 0.876 -0.536 5.623 362 HG12 VAL 51 HG12 VAL 51 2.635 -0.432 5.542 363 HG13 VAL 51 HG13 VAL 51 1.697 0.937 6.141 364 HG21 VAL 51 HG21 VAL 51 3.231 -0.727 9.156 365 HG22 VAL 51 HG22 VAL 51 3.206 0.792 8.260 366 HG23 VAL 51 HG23 VAL 51 3.994 -0.628 7.569 367 H ALA 52 H ALA 52 -0.541 -2.373 9.112 368 HA ALA 52 HA ALA 52 -1.965 -2.959 6.756 369 HB1 ALA 52 HB1 ALA 52 -1.311 -4.666 8.366 370 HB2 ALA 52 HB2 ALA 52 -3.043 -4.717 8.035 371 HB3 ALA 52 HB3 ALA 52 -2.452 -4.002 9.535 372 H GLY 53 H GLY 53 -2.724 -0.749 9.256 373 HA2 GLY 53 HA2 GLY 53 -5.524 -0.964 9.373 374 HA3 GLY 53 HA3 GLY 53 -4.600 0.490 9.719 375 H GLU 54 H GLU 54 -3.541 1.264 7.434 376 HA GLU 54 HA GLU 54 -5.696 2.322 5.947 377 HB2 GLU 54 HB2 GLU 54 -2.762 2.145 5.241 378 HB3 GLU 54 HB3 GLU 54 -3.945 3.112 4.373 379 HG2 GLU 54 HG2 GLU 54 -3.148 3.461 7.251 380 HG3 GLU 54 HG3 GLU 54 -2.630 4.465 5.899 381 H ILE 55 H ILE 55 -3.682 -0.501 5.522 382 HA ILE 55 HA ILE 55 -4.257 -1.140 2.863 383 HB ILE 55 HB ILE 55 -3.785 -3.025 5.181 384 HG12 ILE 55 HG12 ILE 55 -1.947 -1.442 4.883 385 HG13 ILE 55 HG13 ILE 55 -1.452 -3.059 4.396 386 HG21 ILE 55 HG21 ILE 55 -4.795 -4.188 3.303 387 HG22 ILE 55 HG22 ILE 55 -3.105 -4.658 3.488 388 HG23 ILE 55 HG23 ILE 55 -3.571 -3.528 2.217 389 HD11 ILE 55 HD11 ILE 55 -1.768 -2.445 2.051 390 HD12 ILE 55 HD12 ILE 55 -0.605 -1.390 2.858 391 HD13 ILE 55 HD13 ILE 55 -2.246 -0.821 2.547 392 H ALA 56 H ALA 56 -5.955 -2.000 5.860 393 HA ALA 56 HA ALA 56 -7.985 -3.535 4.628 394 HB1 ALA 56 HB1 ALA 56 -7.476 -3.724 7.007 395 HB2 ALA 56 HB2 ALA 56 -9.175 -3.326 6.753 396 HB3 ALA 56 HB3 ALA 56 -8.043 -2.075 7.267 397 H ALA 57 H ALA 57 -7.701 -0.114 5.425 398 HA ALA 57 HA ALA 57 -10.374 0.601 4.845 399 HB1 ALA 57 HB1 ALA 57 -8.946 2.056 6.149 400 HB2 ALA 57 HB2 ALA 57 -9.511 2.904 4.709 401 HB3 ALA 57 HB3 ALA 57 -7.866 2.273 4.772 402 H ALA 58 H ALA 58 -7.456 0.412 2.882 403 HA ALA 58 HA ALA 58 -8.587 1.586 0.551 404 HB1 ALA 58 HB1 ALA 58 -6.606 0.771 -0.594 405 HB2 ALA 58 HB2 ALA 58 -6.213 -0.262 0.782 406 HB3 ALA 58 HB3 ALA 58 -6.170 1.493 0.955 407 H LEU 59 H LEU 59 -8.252 -1.733 1.695 408 HA LEU 59 HA LEU 59 -8.881 -3.121 -0.615 409 HB2 LEU 59 HB2 LEU 59 -8.086 -4.248 1.358 410 HB3 LEU 59 HB3 LEU 59 -9.521 -3.788 2.252 411 HG LEU 59 HG LEU 59 -10.894 -5.221 0.807 412 HD11 LEU 59 HD11 LEU 59 -9.574 -5.096 -1.230 413 HD12 LEU 59 HD12 LEU 59 -9.831 -6.774 -0.754 414 HD13 LEU 59 HD13 LEU 59 -8.272 -6.004 -0.461 415 HD21 LEU 59 HD21 LEU 59 -10.071 -7.371 1.629 416 HD22 LEU 59 HD22 LEU 59 -9.984 -6.124 2.873 417 HD23 LEU 59 HD23 LEU 59 -8.521 -6.627 2.026 418 H TYR 60 H TYR 60 -11.183 -2.164 1.949 419 HA TYR 60 HA TYR 60 -13.445 -3.093 0.511 420 HB2 TYR 60 HB2 TYR 60 -13.227 -1.171 2.837 421 HB3 TYR 60 HB3 TYR 60 -14.750 -1.787 2.203 422 HD1 TYR 60 HD2 TYR 60 -11.643 -2.713 3.965 423 HD2 TYR 60 HD1 TYR 60 -15.482 -4.023 2.681 424 HE1 TYR 60 HE2 TYR 60 -11.435 -4.701 5.390 425 HE2 TYR 60 HE1 TYR 60 -15.279 -6.020 4.106 426 HH TYR 60 HH TYR 60 -12.794 -6.346 6.468 427 H ALA 61 H ALA 61 -11.736 -0.055 0.571 428 HA ALA 61 HA ALA 61 -13.693 1.520 -0.718 429 HB1 ALA 61 HB1 ALA 61 -11.876 3.059 -1.214 430 HB2 ALA 61 HB2 ALA 61 -10.692 1.821 -0.792 431 HB3 ALA 61 HB3 ALA 61 -11.759 2.479 0.448 432 H VAL 62 H VAL 62 -10.930 -0.349 -1.965 433 HA VAL 62 HA VAL 62 -11.332 0.211 -4.692 434 HB VAL 62 HB VAL 62 -10.095 -2.235 -3.407 435 HG11 VAL 62 HG11 VAL 62 -9.923 -1.288 -6.267 436 HG12 VAL 62 HG12 VAL 62 -10.767 -2.728 -5.701 437 HG13 VAL 62 HG13 VAL 62 -9.012 -2.626 -5.568 438 HG21 VAL 62 HG21 VAL 62 -8.865 0.278 -4.532 439 HG22 VAL 62 HG22 VAL 62 -7.966 -1.124 -3.951 440 HG23 VAL 62 HG23 VAL 62 -8.946 -0.177 -2.831 441 H LYS 63 H LYS 63 -12.667 -2.292 -2.594 442 HA LYS 63 HA LYS 63 -13.958 -3.853 -4.509 443 HB2 LYS 63 HB2 LYS 63 -14.593 -3.264 -1.629 444 HB3 LYS 63 HB3 LYS 63 -15.604 -4.334 -2.586 445 HG2 LYS 63 HG2 LYS 63 -13.655 -5.767 -3.018 446 HG3 LYS 63 HG3 LYS 63 -12.670 -4.702 -2.012 447 HD2 LYS 63 HD2 LYS 63 -14.028 -5.208 -0.077 448 HD3 LYS 63 HD3 LYS 63 -15.129 -6.170 -1.066 449 HE2 LYS 63 HE2 LYS 63 -12.210 -6.783 -0.615 450 HE3 LYS 63 HE3 LYS 63 -13.549 -7.554 0.231 451 HZ1 LYS 63 HZ1 LYS 63 -12.810 -8.944 -1.566 452 HZ2 LYS 63 HZ2 LYS 63 -13.005 -7.690 -2.690 453 HZ3 LYS 63 HZ3 LYS 63 -14.359 -8.360 -1.925 454 H LYS 64 H LYS 64 -15.120 -0.946 -2.830 455 HA LYS 64 HA LYS 64 -17.616 -0.926 -4.255 456 HB2 LYS 64 HB2 LYS 64 -16.246 1.087 -2.481 457 HB3 LYS 64 HB3 LYS 64 -17.781 1.420 -3.277 458 HG2 LYS 64 HG2 LYS 64 -17.292 -0.893 -1.415 459 HG3 LYS 64 HG3 LYS 64 -18.022 0.644 -0.942 460 HD2 LYS 64 HD2 LYS 64 -19.915 0.281 -2.305 461 HD3 LYS 64 HD3 LYS 64 -19.130 -1.036 -3.178 462 HE2 LYS 64 HE2 LYS 64 -19.844 -1.120 -0.249 463 HE3 LYS 64 HE3 LYS 64 -20.853 -1.782 -1.538 464 HZ1 LYS 64 HZ1 LYS 64 -18.132 -2.666 -0.737 465 HZ2 LYS 64 HZ2 LYS 64 -18.894 -3.178 -2.164 466 HZ3 LYS 64 HZ3 LYS 64 -19.578 -3.554 -0.657 467 H ALA 65 H ALA 65 -14.481 0.547 -4.643 468 HA ALA 65 HA ALA 65 -15.038 2.579 -6.447 469 HB1 ALA 65 HB1 ALA 65 -12.878 2.305 -5.354 470 HB2 ALA 65 HB2 ALA 65 -12.694 2.427 -7.104 471 HB3 ALA 65 HB3 ALA 65 -12.570 0.857 -6.312 472 H SER 66 H SER 66 -14.900 -0.847 -6.978 473 HA SER 66 HA SER 66 -14.378 -1.080 -9.665 474 HB2 SER 66 HB2 SER 66 -15.820 -3.120 -9.581 475 HB3 SER 66 HB3 SER 66 -14.662 -3.023 -8.254 476 HG SER 66 HG SER 66 -16.259 -2.920 -6.887 477 H GLN 67 H GLN 67 -17.480 -0.292 -8.142 478 HA GLN 67 HA GLN 67 -18.926 -0.290 -10.603 479 HB2 GLN 67 HB2 GLN 67 -19.817 -0.634 -8.202 480 HB3 GLN 67 HB3 GLN 67 -19.840 1.122 -8.118 481 HG2 GLN 67 HG2 GLN 67 -21.329 1.206 -10.045 482 HG3 GLN 67 HG3 GLN 67 -21.295 -0.554 -10.149 483 HE21 GLN 67 HE21 GLN 67 -21.344 -0.901 -7.262 484 HE22 GLN 67 HE22 GLN 67 -22.961 -0.550 -6.755 485 H LEU 68 H LEU 68 -17.239 2.142 -8.745 486 HA LEU 68 HA LEU 68 -18.413 4.348 -10.177 487 HB2 LEU 68 HB2 LEU 68 -16.149 4.144 -8.205 488 HB3 LEU 68 HB3 LEU 68 -16.529 5.646 -9.022 489 HG LEU 68 HG LEU 68 -18.843 5.491 -8.036 490 HD11 LEU 68 HD11 LEU 68 -17.574 3.309 -6.389 491 HD12 LEU 68 HD12 LEU 68 -18.903 3.119 -7.534 492 HD13 LEU 68 HD13 LEU 68 -19.132 4.068 -6.065 493 HD21 LEU 68 HD21 LEU 68 -16.522 5.641 -6.117 494 HD22 LEU 68 HD22 LEU 68 -18.139 6.290 -5.842 495 HD23 LEU 68 HD23 LEU 68 -17.129 6.958 -7.123 496 H GLY 69 H GLY 69 -15.653 2.294 -10.517 497 HA2 GLY 69 HA2 GLY 69 -14.217 2.044 -12.294 498 HA3 GLY 69 HA3 GLY 69 -15.176 3.228 -13.169 499 H VAL 70 H VAL 70 -13.387 3.559 -10.123 500 HA VAL 70 HA VAL 70 -11.931 5.811 -11.324 501 HB VAL 70 HB VAL 70 -11.347 6.468 -9.017 502 HG11 VAL 70 HG11 VAL 70 -13.585 7.203 -8.338 503 HG12 VAL 70 HG12 VAL 70 -14.304 6.054 -9.468 504 HG13 VAL 70 HG13 VAL 70 -13.335 7.400 -10.071 505 HG21 VAL 70 HG21 VAL 70 -13.132 4.176 -8.191 506 HG22 VAL 70 HG22 VAL 70 -12.427 5.378 -7.109 507 HG23 VAL 70 HG23 VAL 70 -11.382 4.254 -7.979 508 H LYS 71 H LYS 71 -9.624 6.066 -10.579 509 HA LYS 71 HA LYS 71 -8.327 3.429 -10.610 510 HB2 LYS 71 HB2 LYS 71 -8.001 4.453 -12.734 511 HB3 LYS 71 HB3 LYS 71 -7.632 6.011 -12.013 512 HG2 LYS 71 HG2 LYS 71 -5.825 3.763 -11.350 513 HG3 LYS 71 HG3 LYS 71 -5.771 4.384 -13.001 514 HD2 LYS 71 HD2 LYS 71 -5.449 6.047 -10.498 515 HD3 LYS 71 HD3 LYS 71 -4.133 5.484 -11.524 516 HE2 LYS 71 HE2 LYS 71 -5.120 6.731 -13.415 517 HE3 LYS 71 HE3 LYS 71 -6.362 7.348 -12.328 518 HZ1 LYS 71 HZ1 LYS 71 -4.721 9.010 -12.476 519 HZ2 LYS 71 HZ2 LYS 71 -3.448 7.911 -12.264 520 HZ3 LYS 71 HZ3 LYS 71 -4.481 8.275 -10.966 521 H ILE 72 H ILE 72 -6.873 2.997 -9.059 522 HA ILE 72 HA ILE 72 -5.796 5.292 -7.536 523 HB ILE 72 HB ILE 72 -5.669 4.009 -5.538 524 HG12 ILE 72 HG12 ILE 72 -6.922 1.570 -5.942 525 HG13 ILE 72 HG13 ILE 72 -5.867 1.727 -7.341 526 HG21 ILE 72 HG21 ILE 72 -8.338 3.490 -6.832 527 HG22 ILE 72 HG22 ILE 72 -7.853 4.959 -5.985 528 HG23 ILE 72 HG23 ILE 72 -8.008 3.441 -5.100 529 HD11 ILE 72 HD11 ILE 72 -5.017 1.911 -4.461 530 HD12 ILE 72 HD12 ILE 72 -3.959 2.078 -5.862 531 HD13 ILE 72 HD13 ILE 72 -4.762 0.541 -5.542 532 H ARG 73 H ARG 73 -3.594 5.136 -6.865 533 HA ARG 73 HA ARG 73 -1.976 3.747 -8.825 534 HB2 ARG 73 HB2 ARG 73 -1.379 6.038 -8.337 535 HB3 ARG 73 HB3 ARG 73 -1.247 5.685 -6.620 536 HG2 ARG 73 HG2 ARG 73 0.610 4.098 -7.185 537 HG3 ARG 73 HG3 ARG 73 0.550 4.723 -8.832 538 HD2 ARG 73 HD2 ARG 73 1.091 6.942 -8.051 539 HD3 ARG 73 HD3 ARG 73 1.020 6.403 -6.373 540 HE ARG 73 HE ARG 73 2.932 4.973 -8.000 541 HH11 ARG 73 HH11 ARG 73 2.405 7.686 -5.844 542 HH12 ARG 73 HH12 ARG 73 4.099 7.887 -5.489 543 HH21 ARG 73 HH21 ARG 73 5.140 5.221 -7.511 544 HH22 ARG 73 HH22 ARG 73 5.637 6.480 -6.423 545 H ILE 74 H ILE 74 -1.283 1.726 -8.479 546 HA ILE 74 HA ILE 74 -0.764 0.800 -5.776 547 HB ILE 74 HB ILE 74 -1.640 -0.757 -7.581 548 HG12 ILE 74 HG12 ILE 74 -0.225 -2.654 -6.861 549 HG13 ILE 74 HG13 ILE 74 0.934 -1.512 -6.185 550 HG21 ILE 74 HG21 ILE 74 -0.261 -0.059 -9.435 551 HG22 ILE 74 HG22 ILE 74 0.022 -1.765 -9.089 552 HG23 ILE 74 HG23 ILE 74 1.195 -0.556 -8.573 553 HD11 ILE 74 HD11 ILE 74 -0.471 -2.438 -4.452 554 HD12 ILE 74 HD12 ILE 74 -1.917 -1.882 -5.297 555 HD13 ILE 74 HD13 ILE 74 -0.778 -0.711 -4.632 556 H LEU 75 H LEU 75 1.290 0.436 -4.945 557 HA LEU 75 HA LEU 75 3.101 2.472 -5.875 558 HB2 LEU 75 HB2 LEU 75 3.286 0.691 -3.448 559 HB3 LEU 75 HB3 LEU 75 4.269 2.108 -3.763 560 HG LEU 75 HG LEU 75 2.701 2.886 -2.238 561 HD11 LEU 75 HD11 LEU 75 1.499 3.478 -4.936 562 HD12 LEU 75 HD12 LEU 75 2.812 4.364 -4.161 563 HD13 LEU 75 HD13 LEU 75 1.196 4.382 -3.452 564 HD21 LEU 75 HD21 LEU 75 1.265 0.927 -2.182 565 HD22 LEU 75 HD22 LEU 75 0.563 1.378 -3.736 566 HD23 LEU 75 HD23 LEU 75 0.302 2.398 -2.322 567 H HIS 76 H HIS 76 3.607 -0.900 -4.844 568 HA HIS 76 HA HIS 76 5.559 -1.247 -6.980 569 HB2 HIS 76 HB2 HIS 76 7.303 -2.055 -5.508 570 HB3 HIS 76 HB3 HIS 76 6.824 -0.454 -4.963 571 HD1 HIS 76 HD1 HIS 76 7.472 -3.772 -3.742 572 HD2 HIS 76 HD2 HIS 76 4.916 -0.668 -2.665 573 HE1 HIS 76 HE1 HIS 76 6.776 -4.255 -1.372 574 HE2 HIS 76 HE2 HIS 76 5.013 -2.528 -0.863 575 H ASP 77 H ASP 77 6.513 -3.745 -6.234 576 HA ASP 77 HA ASP 77 4.561 -5.557 -6.928 577 HB2 ASP 77 HB2 ASP 77 6.007 -7.296 -5.881 578 HB3 ASP 77 HB3 ASP 77 6.903 -6.189 -6.914 579 H TYR 78 H TYR 78 2.720 -6.051 -6.007 580 HA TYR 78 HA TYR 78 2.478 -5.692 -3.092 581 HB2 TYR 78 HB2 TYR 78 1.300 -4.020 -4.611 582 HB3 TYR 78 HB3 TYR 78 0.252 -5.346 -5.097 583 HD1 TYR 78 HD1 TYR 78 1.518 -3.748 -1.969 584 HD2 TYR 78 HD2 TYR 78 -1.753 -5.570 -3.986 585 HE1 TYR 78 HE1 TYR 78 0.077 -3.280 -0.034 586 HE2 TYR 78 HE2 TYR 78 -3.209 -5.107 -2.058 587 HH TYR 78 HH TYR 78 -3.013 -4.667 0.338 588 H ALA 79 H ALA 79 2.651 -7.737 -2.356 589 HA ALA 79 HA ALA 79 1.494 -10.000 -3.645 590 HB1 ALA 79 HB1 ALA 79 2.453 -9.705 -0.799 591 HB2 ALA 79 HB2 ALA 79 3.445 -10.178 -2.178 592 HB3 ALA 79 HB3 ALA 79 2.132 -11.224 -1.635 593 H GLY 80 H GLY 80 0.205 -7.550 -1.709 594 HA2 GLY 80 HA2 GLY 80 -1.703 -8.838 -0.146 595 HA3 GLY 80 HA3 GLY 80 -1.858 -7.205 -0.774 596 H ILE 81 H ILE 81 -2.088 -7.585 -3.470 597 HA ILE 81 HA ILE 81 -4.803 -8.346 -3.662 598 HB ILE 81 HB ILE 81 -4.450 -8.096 -6.165 599 HG12 ILE 81 HG12 ILE 81 -2.297 -6.655 -6.588 600 HG13 ILE 81 HG13 ILE 81 -1.671 -7.517 -5.188 601 HG21 ILE 81 HG21 ILE 81 -4.288 -5.656 -6.020 602 HG22 ILE 81 HG22 ILE 81 -3.723 -5.801 -4.354 603 HG23 ILE 81 HG23 ILE 81 -5.351 -6.329 -4.784 604 HD11 ILE 81 HD11 ILE 81 -2.670 -8.768 -7.737 605 HD12 ILE 81 HD12 ILE 81 -2.049 -9.638 -6.335 606 HD13 ILE 81 HD13 ILE 81 -0.985 -8.576 -7.256 607 H ALA 82 H ALA 82 -1.844 -10.069 -4.165 608 HA ALA 82 HA ALA 82 -3.022 -12.260 -5.588 609 HB1 ALA 82 HB1 ALA 82 -0.887 -13.370 -5.231 610 HB2 ALA 82 HB2 ALA 82 -0.408 -12.114 -4.090 611 HB3 ALA 82 HB3 ALA 82 -0.635 -11.718 -5.793 612 H PHE 83 H PHE 83 -2.232 -11.506 -2.247 613 HA PHE 83 HA PHE 83 -2.805 -14.056 -1.174 614 HB2 PHE 83 HB2 PHE 83 -1.459 -12.411 0.041 615 HB3 PHE 83 HB3 PHE 83 -2.849 -11.337 0.157 616 HD1 PHE 83 HD2 PHE 83 -1.591 -14.672 1.185 617 HD2 PHE 83 HD1 PHE 83 -4.346 -11.516 1.937 618 HE1 PHE 83 HE2 PHE 83 -2.233 -15.744 3.302 619 HE2 PHE 83 HE1 PHE 83 -4.988 -12.581 4.059 620 HZ PHE 83 HZ PHE 83 -3.934 -14.697 4.745 621 H TRP 84 H TRP 84 -4.776 -11.133 -1.607 622 HA TRP 84 HA TRP 84 -7.075 -12.164 -0.310 623 HB2 TRP 84 HB2 TRP 84 -6.841 -10.000 -2.411 624 HB3 TRP 84 HB3 TRP 84 -8.302 -10.348 -1.492 625 HD1 TRP 84 HD1 TRP 84 -6.963 -10.665 1.394 626 HE1 TRP 84 HE1 TRP 84 -6.078 -8.572 2.601 627 HE3 TRP 84 HE3 TRP 84 -6.398 -7.581 -2.645 628 HZ2 TRP 84 HZ2 TRP 84 -5.253 -5.954 1.926 629 HZ3 TRP 84 HZ3 TRP 84 -5.562 -5.299 -2.279 630 HH2 TRP 84 HH2 TRP 84 -5.001 -4.501 -0.039 631 H ALA 85 H ALA 85 -5.983 -12.199 -3.659 632 HA ALA 85 HA ALA 85 -8.346 -13.294 -4.761 633 HB1 ALA 85 HB1 ALA 85 -6.981 -13.753 -6.732 634 HB2 ALA 85 HB2 ALA 85 -5.519 -13.412 -5.804 635 HB3 ALA 85 HB3 ALA 85 -6.686 -12.127 -6.115 636 H THR 86 H THR 86 -5.727 -14.694 -3.006 637 HA THR 86 HA THR 86 -6.690 -17.387 -3.722 638 HB THR 86 HB THR 86 -4.427 -18.216 -3.122 639 HG1 THR 86 HG1 THR 86 -3.712 -15.450 -3.066 640 HG21 THR 86 HG21 THR 86 -3.277 -17.396 -5.122 641 HG22 THR 86 HG22 THR 86 -4.434 -16.072 -5.251 642 HG23 THR 86 HG23 THR 86 -4.973 -17.738 -5.463 643 H GLY 87 H GLY 87 -7.572 -15.470 -1.608 644 HA2 GLY 87 HA2 GLY 87 -6.558 -16.619 0.863 645 HA3 GLY 87 HA3 GLY 87 -7.650 -15.252 0.720 646 H GLU 88 H GLU 88 -8.778 -17.734 -1.201 647 HA GLU 88 HA GLU 88 -10.768 -18.434 0.817 648 HB2 GLU 88 HB2 GLU 88 -11.475 -17.697 -1.471 649 HB3 GLU 88 HB3 GLU 88 -10.737 -19.157 -2.117 650 HG2 GLU 88 HG2 GLU 88 -12.290 -20.545 -1.002 651 HG3 GLU 88 HG3 GLU 88 -12.894 -19.204 -0.031 652 H TRP 89 H TRP 89 -8.906 -20.182 -1.667 653 HA TRP 89 HA TRP 89 -8.221 -22.191 0.352 654 HB2 TRP 89 HB2 TRP 89 -9.338 -22.722 -2.399 655 HB3 TRP 89 HB3 TRP 89 -8.360 -23.915 -1.556 656 HD1 TRP 89 HD1 TRP 89 -9.445 -24.275 1.167 657 HE1 TRP 89 HE1 TRP 89 -11.890 -24.891 1.685 658 HE3 TRP 89 HE3 TRP 89 -11.608 -22.700 -3.186 659 HZ2 TRP 89 HZ2 TRP 89 -14.400 -24.731 0.411 660 HZ3 TRP 89 HZ3 TRP 89 -14.038 -22.973 -3.458 661 HH2 TRP 89 HH2 TRP 89 -15.404 -23.967 -1.698 662 H LYS 90 H LYS 90 -6.311 -23.519 -0.413 663 HA LYS 90 HA LYS 90 -4.230 -21.747 -1.097 664 HB2 LYS 90 HB2 LYS 90 -2.789 -23.767 -1.144 665 HB3 LYS 90 HB3 LYS 90 -3.754 -23.619 0.318 666 HG2 LYS 90 HG2 LYS 90 -5.263 -25.314 -0.418 667 HG3 LYS 90 HG3 LYS 90 -4.515 -25.357 -2.017 668 HD2 LYS 90 HD2 LYS 90 -3.126 -26.072 0.563 669 HD3 LYS 90 HD3 LYS 90 -3.812 -27.233 -0.573 670 HE2 LYS 90 HE2 LYS 90 -2.299 -26.421 -2.314 671 HE3 LYS 90 HE3 LYS 90 -1.615 -25.260 -1.179 672 HZ1 LYS 90 HZ1 LYS 90 -0.233 -27.231 -1.380 673 HZ2 LYS 90 HZ2 LYS 90 -1.527 -28.215 -0.886 674 HZ3 LYS 90 HZ3 LYS 90 -0.854 -27.091 0.188 675 H ALA 91 H ALA 91 -3.461 -21.114 -2.975 676 HA ALA 91 HA ALA 91 -4.336 -22.542 -5.392 677 HB1 ALA 91 HB1 ALA 91 -3.281 -19.734 -5.113 678 HB2 ALA 91 HB2 ALA 91 -4.980 -20.187 -5.243 679 HB3 ALA 91 HB3 ALA 91 -3.885 -20.481 -6.595 680 H LYS 92 H LYS 92 -2.910 -23.405 -6.782 681 HA LYS 92 HA LYS 92 -0.127 -22.610 -6.745 682 HB2 LYS 92 HB2 LYS 92 -0.460 -24.492 -5.040 683 HB3 LYS 92 HB3 LYS 92 -0.805 -25.532 -6.415 684 HG2 LYS 92 HG2 LYS 92 1.493 -25.784 -5.710 685 HG3 LYS 92 HG3 LYS 92 1.420 -25.063 -7.319 686 HD2 LYS 92 HD2 LYS 92 1.884 -22.880 -6.429 687 HD3 LYS 92 HD3 LYS 92 1.746 -23.476 -4.775 688 HE2 LYS 92 HE2 LYS 92 3.710 -24.872 -5.087 689 HE3 LYS 92 HE3 LYS 92 3.828 -24.362 -6.769 690 HZ1 LYS 92 HZ1 LYS 92 4.390 -22.179 -6.119 691 HZ2 LYS 92 HZ2 LYS 92 5.351 -23.203 -5.169 692 HZ3 LYS 92 HZ3 LYS 92 3.983 -22.460 -4.497 693 H ASN 93 H ASN 93 -2.278 -25.187 -7.977 694 HA ASN 93 HA ASN 93 -1.769 -24.239 -10.711 695 HB2 ASN 93 HB2 ASN 93 -1.519 -27.145 -9.895 696 HB3 ASN 93 HB3 ASN 93 -1.431 -26.533 -11.542 697 HD21 ASN 93 HD21 ASN 93 0.220 -26.950 -8.549 698 HD22 ASN 93 HD22 ASN 93 1.783 -26.436 -9.090 699 H GLU 94 H GLU 94 -3.851 -25.562 -8.360 700 HA GLU 94 HA GLU 94 -5.678 -26.821 -10.192 701 HB2 GLU 94 HB2 GLU 94 -5.722 -26.338 -7.220 702 HB3 GLU 94 HB3 GLU 94 -7.039 -27.132 -8.075 703 HG2 GLU 94 HG2 GLU 94 -5.712 -28.977 -8.641 704 HG3 GLU 94 HG3 GLU 94 -4.216 -28.117 -8.285 705 H PHE 95 H PHE 95 -8.122 -26.207 -9.013 706 HA PHE 95 HA PHE 95 -9.064 -24.231 -10.686 707 HB2 PHE 95 HB2 PHE 95 -11.147 -24.347 -9.452 708 HB3 PHE 95 HB3 PHE 95 -10.458 -25.954 -9.609 709 HD1 PHE 95 HD2 PHE 95 -9.259 -26.956 -7.616 710 HD2 PHE 95 HD1 PHE 95 -11.659 -23.451 -7.362 711 HE1 PHE 95 HE2 PHE 95 -9.447 -27.268 -5.185 712 HE2 PHE 95 HE1 PHE 95 -11.848 -23.755 -4.928 713 HZ PHE 95 HZ PHE 95 -10.742 -25.667 -3.837 714 H THR 96 H THR 96 -7.750 -23.893 -7.505 715 HA THR 96 HA THR 96 -8.792 -21.415 -6.781 716 HB THR 96 HB THR 96 -6.505 -21.309 -5.483 717 HG1 THR 96 HG1 THR 96 -5.794 -23.580 -5.224 718 HG21 THR 96 HG21 THR 96 -8.608 -23.420 -5.001 719 HG22 THR 96 HG22 THR 96 -8.667 -21.744 -4.452 720 HG23 THR 96 HG23 THR 96 -7.446 -22.843 -3.807 721 H GLN 97 H GLN 97 -6.159 -22.204 -8.976 722 HA GLN 97 HA GLN 97 -5.075 -19.585 -9.116 723 HB2 GLN 97 HB2 GLN 97 -4.928 -22.007 -10.890 724 HB3 GLN 97 HB3 GLN 97 -4.175 -20.493 -11.337 725 HG2 GLN 97 HG2 GLN 97 -3.593 -21.995 -8.802 726 HG3 GLN 97 HG3 GLN 97 -2.628 -22.099 -10.272 727 HE21 GLN 97 HE21 GLN 97 -0.796 -21.329 -9.250 728 HE22 GLN 97 HE22 GLN 97 -0.614 -19.672 -8.779 729 H ALA 98 H ALA 98 -7.615 -21.304 -10.808 730 HA ALA 98 HA ALA 98 -8.128 -19.241 -12.720 731 HB1 ALA 98 HB1 ALA 98 -10.202 -20.466 -13.182 732 HB2 ALA 98 HB2 ALA 98 -9.908 -21.493 -11.779 733 HB3 ALA 98 HB3 ALA 98 -8.807 -21.545 -13.156 734 H TYR 99 H TYR 99 -9.272 -20.063 -9.522 735 HA TYR 99 HA TYR 99 -11.354 -18.178 -9.297 736 HB2 TYR 99 HB2 TYR 99 -11.033 -20.043 -7.726 737 HB3 TYR 99 HB3 TYR 99 -9.529 -19.322 -7.165 738 HD1 TYR 99 HD2 TYR 99 -13.199 -18.999 -7.171 739 HD2 TYR 99 HD1 TYR 99 -9.541 -17.532 -5.566 740 HE1 TYR 99 HE2 TYR 99 -14.449 -17.789 -5.433 741 HE2 TYR 99 HE1 TYR 99 -10.781 -16.326 -3.822 742 HH TYR 99 HH TYR 99 -13.903 -16.985 -3.028 743 H ALA 100 H ALA 100 -7.885 -17.995 -8.613 744 HA ALA 100 HA ALA 100 -7.883 -15.318 -7.689 745 HB1 ALA 100 HB1 ALA 100 -5.661 -16.919 -8.960 746 HB2 ALA 100 HB2 ALA 100 -6.037 -16.842 -7.239 747 HB3 ALA 100 HB3 ALA 100 -5.463 -15.403 -8.080 748 H LYS 101 H LYS 101 -7.614 -16.797 -10.857 749 HA LYS 101 HA LYS 101 -6.952 -14.379 -12.220 750 HB2 LYS 101 HB2 LYS 101 -6.437 -16.739 -12.999 751 HB3 LYS 101 HB3 LYS 101 -8.133 -16.867 -13.444 752 HG2 LYS 101 HG2 LYS 101 -7.931 -15.320 -15.164 753 HG3 LYS 101 HG3 LYS 101 -6.450 -14.628 -14.495 754 HD2 LYS 101 HD2 LYS 101 -6.722 -17.387 -15.692 755 HD3 LYS 101 HD3 LYS 101 -5.996 -15.988 -16.490 756 HE2 LYS 101 HE2 LYS 101 -4.348 -15.874 -14.615 757 HE3 LYS 101 HE3 LYS 101 -5.013 -17.388 -14.004 758 HZ1 LYS 101 HZ1 LYS 101 -4.437 -18.386 -16.189 759 HZ2 LYS 101 HZ2 LYS 101 -3.092 -17.877 -15.295 760 HZ3 LYS 101 HZ3 LYS 101 -3.643 -16.946 -16.600 761 H LEU 102 H LEU 102 -9.864 -15.763 -11.059 762 HA LEU 102 HA LEU 102 -11.724 -14.388 -12.685 763 HB2 LEU 102 HB2 LEU 102 -12.297 -16.241 -11.123 764 HB3 LEU 102 HB3 LEU 102 -11.968 -15.170 -9.773 765 HG LEU 102 HG LEU 102 -13.791 -13.663 -10.708 766 HD11 LEU 102 HD11 LEU 102 -14.412 -16.156 -12.287 767 HD12 LEU 102 HD12 LEU 102 -13.905 -14.599 -12.945 768 HD13 LEU 102 HD13 LEU 102 -15.460 -14.747 -12.129 769 HD21 LEU 102 HD21 LEU 102 -15.567 -14.998 -9.683 770 HD22 LEU 102 HD22 LEU 102 -14.092 -15.016 -8.719 771 HD23 LEU 102 HD23 LEU 102 -14.517 -16.414 -9.709 772 H MET 103 H MET 103 -10.054 -13.578 -9.683 773 HA MET 103 HA MET 103 -11.190 -10.981 -9.398 774 HB2 MET 103 HB2 MET 103 -8.552 -12.000 -8.322 775 HB3 MET 103 HB3 MET 103 -9.439 -10.597 -7.748 776 HG2 MET 103 HG2 MET 103 -10.347 -13.458 -7.570 777 HG3 MET 103 HG3 MET 103 -9.701 -12.487 -6.250 778 HE1 MET 103 HE1 MET 103 -12.461 -14.086 -6.111 779 HE2 MET 103 HE2 MET 103 -13.475 -12.892 -5.301 780 HE3 MET 103 HE3 MET 103 -11.807 -13.129 -4.782 781 H ASN 104 H ASN 104 -8.440 -12.332 -11.016 782 HA ASN 104 HA ASN 104 -7.048 -9.971 -11.671 783 HB2 ASN 104 HB2 ASN 104 -6.200 -12.330 -11.837 784 HB3 ASN 104 HB3 ASN 104 -7.176 -12.525 -13.280 785 HD21 ASN 104 HD21 ASN 104 -4.384 -10.952 -11.907 786 HD22 ASN 104 HD22 ASN 104 -3.680 -10.472 -13.410 787 H GLN 105 H GLN 105 -9.912 -11.398 -12.970 788 HA GLN 105 HA GLN 105 -9.991 -10.344 -15.531 789 HB2 GLN 105 HB2 GLN 105 -11.763 -11.688 -13.910 790 HB3 GLN 105 HB3 GLN 105 -12.546 -10.127 -14.113 791 HG2 GLN 105 HG2 GLN 105 -11.509 -11.548 -16.513 792 HG3 GLN 105 HG3 GLN 105 -12.989 -12.116 -15.756 793 HE21 GLN 105 HE21 GLN 105 -12.034 -8.726 -15.903 794 HE22 GLN 105 HE22 GLN 105 -13.296 -8.239 -16.977 795 H TYR 106 H TYR 106 -10.890 -8.756 -12.461 796 HA TYR 106 HA TYR 106 -11.464 -6.343 -14.008 797 HB2 TYR 106 HB2 TYR 106 -12.582 -5.504 -11.964 798 HB3 TYR 106 HB3 TYR 106 -13.289 -6.976 -12.603 799 HD1 TYR 106 HD2 TYR 106 -11.386 -5.506 -9.830 800 HD2 TYR 106 HD1 TYR 106 -13.231 -9.035 -11.329 801 HE1 TYR 106 HE2 TYR 106 -11.273 -6.510 -7.589 802 HE2 TYR 106 HE1 TYR 106 -13.127 -10.047 -9.089 803 HH TYR 106 HH TYR 106 -11.867 -9.821 -7.010 804 H ARG 107 H ARG 107 -8.700 -7.272 -13.282 805 HA ARG 107 HA ARG 107 -7.668 -5.280 -11.542 806 HB2 ARG 107 HB2 ARG 107 -5.477 -5.775 -12.642 807 HB3 ARG 107 HB3 ARG 107 -6.282 -7.184 -11.988 808 HG2 ARG 107 HG2 ARG 107 -6.341 -8.178 -13.962 809 HG3 ARG 107 HG3 ARG 107 -6.984 -6.743 -14.755 810 HD2 ARG 107 HD2 ARG 107 -4.111 -6.771 -13.994 811 HD3 ARG 107 HD3 ARG 107 -4.617 -7.739 -15.379 812 HE ARG 107 HE ARG 107 -4.508 -4.857 -15.204 813 HH11 ARG 107 HH11 ARG 107 -5.824 -7.622 -16.912 814 HH12 ARG 107 HH12 ARG 107 -6.139 -6.729 -18.370 815 HH21 ARG 107 HH21 ARG 107 -4.932 -3.682 -17.111 816 HH22 ARG 107 HH22 ARG 107 -5.641 -4.488 -18.477 817 H GLY 108 H GLY 108 -7.423 -3.194 -11.882 818 HA2 GLY 108 HA2 GLY 108 -6.647 -1.769 -14.048 819 HA3 GLY 108 HA3 GLY 108 -8.356 -2.058 -14.362 820 H ILE 109 H ILE 109 -9.058 -2.052 -11.546 821 HA ILE 109 HA ILE 109 -9.505 0.663 -10.990 822 HB ILE 109 HB ILE 109 -9.299 -1.542 -8.930 823 HG12 ILE 109 HG12 ILE 109 -11.743 -0.744 -10.527 824 HG13 ILE 109 HG13 ILE 109 -10.767 -2.170 -10.862 825 HG21 ILE 109 HG21 ILE 109 -9.462 0.710 -8.009 826 HG22 ILE 109 HG22 ILE 109 -10.948 -0.191 -7.710 827 HG23 ILE 109 HG23 ILE 109 -10.896 1.019 -8.989 828 HD11 ILE 109 HD11 ILE 109 -11.325 -3.085 -8.690 829 HD12 ILE 109 HD12 ILE 109 -12.788 -2.700 -9.597 830 HD13 ILE 109 HD13 ILE 109 -12.247 -1.634 -8.300 831 H TYR 110 H TYR 110 -6.971 -1.564 -9.950 832 HA TYR 110 HA TYR 110 -5.444 0.777 -9.052 833 HB2 TYR 110 HB2 TYR 110 -4.154 -0.641 -7.642 834 HB3 TYR 110 HB3 TYR 110 -5.826 -1.123 -7.395 835 HD1 TYR 110 HD2 TYR 110 -6.659 -3.235 -8.519 836 HD2 TYR 110 HD1 TYR 110 -2.539 -2.174 -8.398 837 HE1 TYR 110 HE2 TYR 110 -6.046 -5.560 -9.044 838 HE2 TYR 110 HE1 TYR 110 -1.916 -4.493 -8.920 839 HH TYR 110 HH TYR 110 -2.827 -6.715 -8.792 840 H SER 111 H SER 111 -3.477 1.168 -9.923 841 HA SER 111 HA SER 111 -2.074 -0.689 -11.599 842 HB2 SER 111 HB2 SER 111 -3.254 1.822 -12.848 843 HB3 SER 111 HB3 SER 111 -2.081 0.761 -13.623 844 HG SER 111 HG SER 111 -4.172 -0.681 -12.741 845 H PHE 112 H PHE 112 0.046 0.376 -12.300 846 HA PHE 112 HA PHE 112 0.719 2.365 -10.257 847 HB2 PHE 112 HB2 PHE 112 3.061 1.750 -10.583 848 HB3 PHE 112 HB3 PHE 112 2.094 0.332 -10.210 849 HD1 PHE 112 HD2 PHE 112 1.517 -1.269 -12.036 850 HD2 PHE 112 HD1 PHE 112 4.291 1.915 -12.583 851 HE1 PHE 112 HE2 PHE 112 2.420 -2.400 -14.025 852 HE2 PHE 112 HE1 PHE 112 5.197 0.787 -14.571 853 HZ PHE 112 HZ PHE 112 4.264 -1.372 -15.295 854 H GLU 113 H GLU 113 1.490 4.306 -10.750 855 HA GLU 113 HA GLU 113 1.266 5.071 -13.571 856 HB2 GLU 113 HB2 GLU 113 -0.328 6.022 -11.811 857 HB3 GLU 113 HB3 GLU 113 1.059 6.894 -11.174 858 HG2 GLU 113 HG2 GLU 113 1.259 8.202 -13.110 859 HG3 GLU 113 HG3 GLU 113 0.193 7.141 -14.036 860 H LYS 114 H LYS 114 3.229 5.116 -14.436 861 HA LYS 114 HA LYS 114 5.526 5.424 -12.797 862 HB2 LYS 114 HB2 LYS 114 6.660 5.243 -15.143 863 HB3 LYS 114 HB3 LYS 114 5.954 3.838 -14.350 864 HG2 LYS 114 HG2 LYS 114 3.816 4.521 -15.621 865 HG3 LYS 114 HG3 LYS 114 4.930 5.433 -16.640 866 HD2 LYS 114 HD2 LYS 114 6.080 3.483 -17.295 867 HD3 LYS 114 HD3 LYS 114 5.313 2.517 -16.023 868 HE2 LYS 114 HE2 LYS 114 3.208 2.665 -17.056 869 HE3 LYS 114 HE3 LYS 114 3.774 3.900 -18.166 870 HZ1 LYS 114 HZ1 LYS 114 3.725 1.976 -19.446 871 HZ2 LYS 114 HZ2 LYS 114 4.310 0.998 -18.196 872 HZ3 LYS 114 HZ3 LYS 114 5.359 2.067 -18.995 873 H VAL 115 H VAL 115 5.053 7.563 -12.078 874 HA VAL 115 HA VAL 115 6.101 9.574 -13.956 875 HB VAL 115 HB VAL 115 4.932 11.295 -12.583 876 HG11 VAL 115 HG11 VAL 115 3.924 10.480 -14.646 877 HG12 VAL 115 HG12 VAL 115 2.683 10.851 -13.448 878 HG13 VAL 115 HG13 VAL 115 3.137 9.176 -13.758 879 HG21 VAL 115 HG21 VAL 115 4.744 10.014 -10.501 880 HG22 VAL 115 HG22 VAL 115 3.600 8.920 -11.276 881 HG23 VAL 115 HG23 VAL 115 3.171 10.613 -11.028 882 H LYS 116 H LYS 116 7.729 10.931 -13.175 883 HA LYS 116 HA LYS 116 9.249 9.726 -11.043 884 HB2 LYS 116 HB2 LYS 116 9.819 11.816 -13.096 885 HB3 LYS 116 HB3 LYS 116 10.841 11.725 -11.665 886 HG2 LYS 116 HG2 LYS 116 11.764 10.461 -13.535 887 HG3 LYS 116 HG3 LYS 116 11.390 9.419 -12.167 888 HD2 LYS 116 HD2 LYS 116 9.276 8.786 -13.263 889 HD3 LYS 116 HD3 LYS 116 9.712 9.788 -14.644 890 HE2 LYS 116 HE2 LYS 116 10.250 7.514 -15.163 891 HE3 LYS 116 HE3 LYS 116 11.756 8.396 -14.920 892 HZ1 LYS 116 HZ1 LYS 116 11.830 7.502 -12.648 893 HZ2 LYS 116 HZ2 LYS 116 11.866 6.280 -13.825 894 HZ3 LYS 116 HZ3 LYS 116 10.436 6.588 -12.967 895 H ALA 117 H ALA 117 8.156 10.074 -9.263 896 HA ALA 117 HA ALA 117 7.245 12.689 -8.480 897 HB1 ALA 117 HB1 ALA 117 6.448 11.584 -6.453 898 HB2 ALA 117 HB2 ALA 117 7.286 10.105 -6.926 899 HB3 ALA 117 HB3 ALA 117 5.946 10.712 -7.900 900 H HIS 118 H HIS 118 8.923 14.028 -8.170 901 HA HIS 118 HA HIS 118 10.420 13.597 -5.707 902 HB2 HIS 118 HB2 HIS 118 12.502 14.531 -6.753 903 HB3 HIS 118 HB3 HIS 118 12.056 12.939 -7.349 904 HD1 HIS 118 HD1 HIS 118 11.829 12.675 -9.825 905 HD2 HIS 118 HD2 HIS 118 11.925 16.668 -8.653 906 HE1 HIS 118 HE1 HIS 118 11.983 14.012 -11.954 907 HE2 HIS 118 HE2 HIS 118 12.286 16.395 -11.197 908 H SER 119 H SER 119 8.156 15.046 -6.033 909 HA SER 119 HA SER 119 8.617 17.771 -6.709 910 HB2 SER 119 HB2 SER 119 6.350 16.630 -5.068 911 HB3 SER 119 HB3 SER 119 6.347 18.125 -5.998 912 HG SER 119 HG SER 119 6.630 16.826 -7.895 913 H GLY 120 H GLY 120 8.964 15.902 -3.800 914 HA2 GLY 120 HA2 GLY 120 10.099 16.679 -1.871 915 HA3 GLY 120 HA3 GLY 120 9.723 18.333 -2.344 916 H ASN 121 H ASN 121 7.214 16.063 -2.608 917 HA ASN 121 HA ASN 121 5.480 17.444 -0.872 918 HB2 ASN 121 HB2 ASN 121 4.672 16.120 -2.764 919 HB3 ASN 121 HB3 ASN 121 5.299 14.653 -2.027 920 HD21 ASN 121 HD21 ASN 121 2.761 16.988 -2.057 921 HD22 ASN 121 HD22 ASN 121 1.714 16.157 -0.954 922 H GLU 122 H GLU 122 5.539 17.461 1.267 923 HA GLU 122 HA GLU 122 7.262 15.826 2.756 924 HB2 GLU 122 HB2 GLU 122 4.947 17.464 3.783 925 HB3 GLU 122 HB3 GLU 122 6.290 16.858 4.742 926 HG2 GLU 122 HG2 GLU 122 7.112 18.913 4.399 927 HG3 GLU 122 HG3 GLU 122 7.638 18.224 2.862 928 H PHE 123 H PHE 123 3.887 15.414 1.956 929 HA PHE 123 HA PHE 123 3.283 13.521 3.982 930 HB2 PHE 123 HB2 PHE 123 2.008 13.805 1.250 931 HB3 PHE 123 HB3 PHE 123 1.322 12.956 2.630 932 HD1 PHE 123 HD2 PHE 123 0.846 14.336 4.734 933 HD2 PHE 123 HD1 PHE 123 1.561 16.047 0.907 934 HE1 PHE 123 HE2 PHE 123 -0.258 16.410 5.462 935 HE2 PHE 123 HE1 PHE 123 0.461 18.127 1.624 936 HZ PHE 123 HZ PHE 123 -0.453 18.309 3.905 937 H ASN 124 H ASN 124 4.496 13.267 0.692 938 HA ASN 124 HA ASN 124 4.736 10.422 0.669 939 HB2 ASN 124 HB2 ASN 124 4.643 11.766 -1.400 940 HB3 ASN 124 HB3 ASN 124 6.165 12.536 -0.974 941 HD21 ASN 124 HD21 ASN 124 8.079 11.377 -1.166 942 HD22 ASN 124 HD22 ASN 124 8.178 9.898 -2.056 943 H ASP 125 H ASP 125 6.815 13.110 1.499 944 HA ASP 125 HA ASP 125 9.224 11.631 1.717 945 HB2 ASP 125 HB2 ASP 125 8.950 14.144 1.349 946 HB3 ASP 125 HB3 ASP 125 8.658 14.257 3.083 947 H TYR 126 H TYR 126 6.622 12.317 3.928 948 HA TYR 126 HA TYR 126 7.703 11.872 6.416 949 HB2 TYR 126 HB2 TYR 126 5.063 11.161 5.202 950 HB3 TYR 126 HB3 TYR 126 5.456 10.522 6.788 951 HD1 TYR 126 HD2 TYR 126 6.669 12.642 8.241 952 HD2 TYR 126 HD1 TYR 126 3.559 12.867 5.347 953 HE1 TYR 126 HE2 TYR 126 5.856 14.717 9.285 954 HE2 TYR 126 HE1 TYR 126 2.731 14.935 6.383 955 HH TYR 126 HH TYR 126 2.814 16.068 8.531 956 H VAL 127 H VAL 127 6.556 9.446 4.118 957 HA VAL 127 HA VAL 127 7.111 7.283 5.903 958 HB VAL 127 HB VAL 127 6.596 6.896 2.980 959 HG11 VAL 127 HG11 VAL 127 5.685 5.436 5.452 960 HG12 VAL 127 HG12 VAL 127 7.001 4.947 4.385 961 HG13 VAL 127 HG13 VAL 127 5.342 4.969 3.786 962 HG21 VAL 127 HG21 VAL 127 5.038 8.631 3.625 963 HG22 VAL 127 HG22 VAL 127 4.544 7.696 5.037 964 HG23 VAL 127 HG23 VAL 127 4.185 7.102 3.415 965 H ASP 128 H ASP 128 8.739 8.734 3.123 966 HA ASP 128 HA ASP 128 10.719 6.782 2.727 967 HB2 ASP 128 HB2 ASP 128 10.849 9.784 2.378 968 HB3 ASP 128 HB3 ASP 128 12.146 8.699 1.898 969 H MET 129 H MET 129 10.561 9.548 4.916 970 HA MET 129 HA MET 129 13.134 9.144 6.055 971 HB2 MET 129 HB2 MET 129 11.973 11.314 6.139 972 HB3 MET 129 HB3 MET 129 10.746 10.614 7.185 973 HG2 MET 129 HG2 MET 129 12.437 10.198 8.896 974 HG3 MET 129 HG3 MET 129 13.671 10.891 7.848 975 HE1 MET 129 HE1 MET 129 10.472 11.577 9.995 976 HE2 MET 129 HE2 MET 129 9.959 12.097 8.391 977 HE3 MET 129 HE3 MET 129 10.175 13.285 9.679 978 H LYS 130 H LYS 130 9.889 8.051 6.898 979 HA LYS 130 HA LYS 130 10.538 6.984 9.430 980 HB2 LYS 130 HB2 LYS 130 8.319 6.286 7.509 981 HB3 LYS 130 HB3 LYS 130 8.461 5.592 9.119 982 HG2 LYS 130 HG2 LYS 130 8.426 7.942 10.014 983 HG3 LYS 130 HG3 LYS 130 7.992 8.467 8.385 984 HD2 LYS 130 HD2 LYS 130 6.015 7.015 8.458 985 HD3 LYS 130 HD3 LYS 130 6.450 6.513 10.094 986 HE2 LYS 130 HE2 LYS 130 6.350 8.940 10.743 987 HE3 LYS 130 HE3 LYS 130 5.644 9.260 9.160 988 HZ1 LYS 130 HZ1 LYS 130 3.912 9.022 10.779 989 HZ2 LYS 130 HZ2 LYS 130 4.514 7.517 11.287 990 HZ3 LYS 130 HZ3 LYS 130 3.851 7.686 9.734 991 H ALA 131 H ALA 131 10.802 5.693 6.183 992 HA ALA 131 HA ALA 131 11.311 3.011 6.827 993 HB1 ALA 131 HB1 ALA 131 12.415 2.870 4.651 994 HB2 ALA 131 HB2 ALA 131 12.451 4.632 4.550 995 HB3 ALA 131 HB3 ALA 131 10.909 3.779 4.536 996 H LYS 132 H LYS 132 13.387 5.844 6.750 997 HA LYS 132 HA LYS 132 15.850 4.525 7.162 998 HB2 LYS 132 HB2 LYS 132 15.038 7.336 7.921 999 HB3 LYS 132 HB3 LYS 132 16.688 6.742 7.793 1000 HG2 LYS 132 HG2 LYS 132 14.754 6.789 5.489 1001 HG3 LYS 132 HG3 LYS 132 15.890 8.091 5.847 1002 HD2 LYS 132 HD2 LYS 132 16.699 5.227 5.372 1003 HD3 LYS 132 HD3 LYS 132 16.680 6.467 4.117 1004 HE2 LYS 132 HE2 LYS 132 18.270 6.617 6.675 1005 HE3 LYS 132 HE3 LYS 132 18.922 6.118 5.113 1006 HZ1 LYS 132 HZ1 LYS 132 18.444 8.281 4.221 1007 HZ2 LYS 132 HZ2 LYS 132 19.354 8.467 5.637 1008 HZ3 LYS 132 HZ3 LYS 132 17.685 8.767 5.658 1009 H SER 133 H SER 133 13.588 6.099 9.412 1010 HA SER 133 HA SER 133 15.070 5.543 11.744 1011 HB2 SER 133 HB2 SER 133 12.734 5.895 12.839 1012 HB3 SER 133 HB3 SER 133 13.502 7.244 12.002 1013 HG SER 133 HG SER 133 11.576 5.491 10.861 1014 H ALA 134 H ALA 134 12.821 3.650 9.880 1015 HA ALA 134 HA ALA 134 12.178 1.718 11.838 1016 HB1 ALA 134 HB1 ALA 134 12.218 1.446 8.835 1017 HB2 ALA 134 HB2 ALA 134 10.859 1.997 9.816 1018 HB3 ALA 134 HB3 ALA 134 11.435 0.337 9.960 1019 H LEU 135 H LEU 135 15.012 2.178 9.894 1020 HA LEU 135 HA LEU 135 15.976 -0.522 10.417 1021 HB2 LEU 135 HB2 LEU 135 16.925 1.765 8.749 1022 HB3 LEU 135 HB3 LEU 135 18.102 0.583 9.285 1023 HG LEU 135 HG LEU 135 17.408 -0.031 7.091 1024 HD11 LEU 135 HD11 LEU 135 16.062 -1.787 9.136 1025 HD12 LEU 135 HD12 LEU 135 17.739 -1.885 8.596 1026 HD13 LEU 135 HD13 LEU 135 16.430 -2.253 7.475 1027 HD21 LEU 135 HD21 LEU 135 15.088 -0.466 6.486 1028 HD22 LEU 135 HD22 LEU 135 15.306 1.208 6.997 1029 HD23 LEU 135 HD23 LEU 135 14.564 0.040 8.092 1030 H GLY 136 H GLY 136 15.751 2.269 12.092 1031 HA2 GLY 136 HA2 GLY 136 16.522 2.567 14.270 1032 HA3 GLY 136 HA3 GLY 136 17.723 1.320 13.981 1033 H ILE 137 H ILE 137 17.468 3.865 11.658 1034 HA ILE 137 HA ILE 137 20.123 4.748 12.121 1035 HB ILE 137 HB ILE 137 17.915 6.122 10.579 1036 HG12 ILE 137 HG12 ILE 137 18.434 3.907 9.681 1037 HG13 ILE 137 HG13 ILE 137 19.024 5.161 8.594 1038 HG21 ILE 137 HG21 ILE 137 19.711 7.367 9.480 1039 HG22 ILE 137 HG22 ILE 137 20.892 6.592 10.533 1040 HG23 ILE 137 HG23 ILE 137 19.682 7.679 11.216 1041 HD11 ILE 137 HD11 ILE 137 20.693 3.594 10.551 1042 HD12 ILE 137 HD12 ILE 137 21.283 4.845 9.456 1043 HD13 ILE 137 HD13 ILE 137 20.621 3.345 8.806 1044 H ARG 138 H ARG 138 20.787 5.885 13.788 1045 HA ARG 138 HA ARG 138 20.838 7.237 15.605 1046 HB2 ARG 138 HB2 ARG 138 19.017 8.813 13.805 1047 HB3 ARG 138 HB3 ARG 138 19.431 9.389 15.413 1048 HG2 ARG 138 HG2 ARG 138 21.774 9.415 14.847 1049 HG3 ARG 138 HG3 ARG 138 21.423 8.729 13.259 1050 HD2 ARG 138 HD2 ARG 138 21.795 11.159 13.176 1051 HD3 ARG 138 HD3 ARG 138 20.181 10.701 12.637 1052 HE ARG 138 HE ARG 138 19.349 11.457 14.811 1053 HH11 ARG 138 HH11 ARG 138 22.573 12.494 13.883 1054 HH12 ARG 138 HH12 ARG 138 22.516 13.952 14.826 1055 HH21 ARG 138 HH21 ARG 138 19.275 13.377 16.053 1056 HH22 ARG 138 HH22 ARG 138 20.650 14.448 16.066 1057 H ASP 139 H ASP 139 19.476 5.103 16.168 1058 HA ASP 139 HA ASP 139 17.196 6.084 17.753 1059 HB2 ASP 139 HB2 ASP 139 16.528 4.660 15.749 1060 HB3 ASP 139 HB3 ASP 139 17.344 3.316 16.541 1061 H LEU 140 H LEU 140 17.019 5.243 19.828 1062 HA LEU 140 HA LEU 140 19.463 4.465 21.044 1063 HB2 LEU 140 HB2 LEU 140 17.729 5.837 22.153 1064 HB3 LEU 140 HB3 LEU 140 16.662 4.447 22.181 1065 HG LEU 140 HG LEU 140 19.321 4.211 23.521 1066 HD11 LEU 140 HD11 LEU 140 18.478 6.368 24.279 1067 HD12 LEU 140 HD12 LEU 140 18.393 5.167 25.569 1068 HD13 LEU 140 HD13 LEU 140 16.932 5.627 24.694 1069 HD21 LEU 140 HD21 LEU 140 16.555 3.178 24.150 1070 HD22 LEU 140 HD22 LEU 140 18.019 2.812 25.062 1071 HD23 LEU 140 HD23 LEU 140 17.858 2.263 23.394 1072 H GLU 141 H GLU 141 16.713 2.700 19.820 1073 HA GLU 141 HA GLU 141 17.342 0.308 21.311 1074 HB2 GLU 141 HB2 GLU 141 15.371 0.756 19.067 1075 HB3 GLU 141 HB3 GLU 141 15.503 -0.716 20.023 1076 HG2 GLU 141 HG2 GLU 141 15.051 0.702 22.054 1077 HG3 GLU 141 HG3 GLU 141 14.649 2.010 20.941 1078 H HIS 142 H HIS 142 18.533 1.719 18.511 1079 HA HIS 142 HA HIS 142 19.382 -0.851 17.390 1080 HB2 HIS 142 HB2 HIS 142 18.554 0.947 15.850 1081 HB3 HIS 142 HB3 HIS 142 19.921 1.940 16.340 1082 HD1 HIS 142 HD1 HIS 142 22.103 1.572 15.150 1083 HD2 HIS 142 HD2 HIS 142 19.309 -1.411 14.359 1084 HE1 HIS 142 HE1 HIS 142 23.100 0.174 13.303 1085 HE2 HIS 142 HE2 HIS 142 21.367 -1.590 12.800 1086 H HIS 143 H HIS 143 21.178 -1.716 18.192 1087 HA HIS 143 HA HIS 143 23.105 0.091 19.505 1088 HB2 HIS 143 HB2 HIS 143 22.748 -2.877 19.976 1089 HB3 HIS 143 HB3 HIS 143 23.727 -1.766 20.926 1090 HD1 HIS 143 HD1 HIS 143 22.252 0.163 22.204 1091 HD2 HIS 143 HD2 HIS 143 20.238 -3.238 20.914 1092 HE1 HIS 143 HE1 HIS 143 20.102 0.108 23.508 1093 HE2 HIS 143 HE2 HIS 143 18.822 -1.846 22.569 1094 H HIS 144 H HIS 144 25.319 -1.251 19.713 1095 HA HIS 144 HA HIS 144 26.138 -1.918 16.974 1096 HB2 HIS 144 HB2 HIS 144 27.773 -1.363 19.465 1097 HB3 HIS 144 HB3 HIS 144 28.453 -1.767 17.894 1098 HD1 HIS 144 HD1 HIS 144 28.911 0.145 16.350 1099 HD2 HIS 144 HD2 HIS 144 26.346 1.194 19.457 1100 HE1 HIS 144 HE1 HIS 144 28.592 2.635 16.162 1101 HE2 HIS 144 HE2 HIS 144 27.077 3.263 18.075 1102 H HIS 145 H HIS 145 27.888 -3.773 16.974 1103 HA HIS 145 HA HIS 145 26.501 -6.057 17.985 1104 HB2 HIS 145 HB2 HIS 145 28.041 -7.409 16.792 1105 HB3 HIS 145 HB3 HIS 145 27.778 -5.989 15.792 1106 HD1 HIS 145 HD1 HIS 145 29.791 -4.159 15.893 1107 HD2 HIS 145 HD2 HIS 145 30.646 -7.975 17.315 1108 HE1 HIS 145 HE1 HIS 145 32.301 -4.327 15.937 1109 HE2 HIS 145 HE2 HIS 145 32.790 -6.696 16.633 1110 H HIS 146 H HIS 146 26.585 -6.704 20.006 1111 HA HIS 146 HA HIS 146 29.192 -6.732 21.356 1112 HB2 HIS 146 HB2 HIS 146 27.809 -4.821 22.201 1113 HB3 HIS 146 HB3 HIS 146 26.585 -5.979 22.707 1114 HD1 HIS 146 HD1 HIS 146 29.872 -4.546 23.676 1115 HD2 HIS 146 HD2 HIS 146 27.293 -7.540 24.976 1116 HE1 HIS 146 HE1 HIS 146 30.679 -5.188 25.976 1117 HE2 HIS 146 HE2 HIS 146 29.174 -7.088 26.690 1118 H HIS 147 H HIS 147 29.235 -8.918 20.659 1119 HA HIS 147 HA HIS 147 28.050 -10.712 22.580 1120 HB2 HIS 147 HB2 HIS 147 27.268 -10.776 19.678 1121 HB3 HIS 147 HB3 HIS 147 27.361 -12.276 20.595 1122 HD1 HIS 147 HD1 HIS 147 25.964 -11.843 23.096 1123 HD2 HIS 147 HD2 HIS 147 24.706 -9.942 19.619 1124 HE1 HIS 147 HE1 HIS 147 23.553 -11.249 23.484 1125 HE2 HIS 147 HE2 HIS 147 22.755 -10.337 21.275 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -11.313 16.089 -2.561 2 H2 MET 1 H2 MET 1 -11.187 17.465 -1.577 3 H3 MET 1 H3 MET 1 -10.633 17.517 -3.184 4 HA MET 1 HA MET 1 -13.439 17.129 -2.331 5 HB2 MET 1 HB2 MET 1 -13.828 19.370 -3.289 6 HB3 MET 1 HB3 MET 1 -12.733 19.418 -1.917 7 HG2 MET 1 HG2 MET 1 -10.834 19.611 -3.431 8 HG3 MET 1 HG3 MET 1 -11.924 19.534 -4.814 9 HE1 MET 1 HE1 MET 1 -13.720 21.434 -5.394 10 HE2 MET 1 HE2 MET 1 -13.996 22.842 -4.368 11 HE3 MET 1 HE3 MET 1 -14.396 21.230 -3.777 12 H ASP 2 H ASP 2 -14.710 16.274 -3.782 13 HA ASP 2 HA ASP 2 -15.426 15.214 -5.635 14 HB2 ASP 2 HB2 ASP 2 -15.184 17.588 -6.564 15 HB3 ASP 2 HB3 ASP 2 -13.689 17.022 -7.310 16 H ASP 3 H ASP 3 -13.030 14.400 -4.253 17 HA ASP 3 HA ASP 3 -11.370 13.133 -6.258 18 HB2 ASP 3 HB2 ASP 3 -10.434 11.976 -4.115 19 HB3 ASP 3 HB3 ASP 3 -10.099 13.683 -4.379 20 H ARG 4 H ARG 4 -13.373 12.229 -7.185 21 HA ARG 4 HA ARG 4 -14.521 9.984 -5.698 22 HB2 ARG 4 HB2 ARG 4 -16.364 10.121 -7.298 23 HB3 ARG 4 HB3 ARG 4 -16.068 11.686 -6.550 24 HG2 ARG 4 HG2 ARG 4 -14.697 12.254 -8.604 25 HG3 ARG 4 HG3 ARG 4 -15.376 10.798 -9.337 26 HD2 ARG 4 HD2 ARG 4 -17.657 11.757 -8.742 27 HD3 ARG 4 HD3 ARG 4 -16.817 13.275 -8.421 28 HE ARG 4 HE ARG 4 -16.483 11.991 -11.035 29 HH11 ARG 4 HH11 ARG 4 -17.602 14.706 -9.126 30 HH12 ARG 4 HH12 ARG 4 -18.110 15.632 -10.510 31 HH21 ARG 4 HH21 ARG 4 -17.094 13.218 -12.850 32 HH22 ARG 4 HH22 ARG 4 -17.839 14.774 -12.628 33 H THR 5 H THR 5 -12.070 10.416 -7.762 34 HA THR 5 HA THR 5 -12.482 7.803 -9.049 35 HB THR 5 HB THR 5 -10.834 8.740 -10.808 36 HG1 THR 5 HG1 THR 5 -10.205 10.686 -10.089 37 HG21 THR 5 HG21 THR 5 -12.678 9.707 -12.113 38 HG22 THR 5 HG22 THR 5 -13.659 9.805 -10.652 39 HG23 THR 5 HG23 THR 5 -13.177 8.232 -11.287 40 H GLU 6 H GLU 6 -11.215 6.361 -8.162 41 HA GLU 6 HA GLU 6 -9.645 5.412 -6.857 42 HB2 GLU 6 HB2 GLU 6 -7.344 5.512 -7.741 43 HB3 GLU 6 HB3 GLU 6 -8.548 5.197 -8.973 44 HG2 GLU 6 HG2 GLU 6 -7.786 8.014 -8.636 45 HG3 GLU 6 HG3 GLU 6 -6.523 6.939 -9.232 46 H TYR 7 H TYR 7 -7.030 6.175 -6.146 47 HA TYR 7 HA TYR 7 -7.407 8.600 -4.551 48 HB2 TYR 7 HB2 TYR 7 -6.526 5.931 -3.423 49 HB3 TYR 7 HB3 TYR 7 -6.507 7.455 -2.545 50 HD1 TYR 7 HD1 TYR 7 -8.734 8.631 -2.145 51 HD2 TYR 7 HD2 TYR 7 -8.456 4.598 -3.471 52 HE1 TYR 7 HE1 TYR 7 -11.046 8.234 -1.409 53 HE2 TYR 7 HE2 TYR 7 -10.767 4.190 -2.737 54 HH TYR 7 HH TYR 7 -12.908 6.666 -1.959 55 H ASP 8 H ASP 8 -5.412 9.495 -3.752 56 HA ASP 8 HA ASP 8 -3.167 8.997 -5.504 57 HB2 ASP 8 HB2 ASP 8 -3.539 10.955 -3.225 58 HB3 ASP 8 HB3 ASP 8 -2.084 10.855 -4.210 59 H VAL 9 H VAL 9 -1.399 7.843 -5.005 60 HA VAL 9 HA VAL 9 -1.086 6.971 -2.213 61 HB VAL 9 HB VAL 9 -0.516 5.251 -4.637 62 HG11 VAL 9 HG11 VAL 9 -0.225 3.454 -2.999 63 HG12 VAL 9 HG12 VAL 9 -0.484 4.605 -1.690 64 HG13 VAL 9 HG13 VAL 9 0.927 4.764 -2.736 65 HG21 VAL 9 HG21 VAL 9 -2.453 3.911 -3.922 66 HG22 VAL 9 HG22 VAL 9 -2.913 5.548 -4.390 67 HG23 VAL 9 HG23 VAL 9 -2.812 5.116 -2.684 68 H TYR 10 H TYR 10 0.827 7.496 -1.391 69 HA TYR 10 HA TYR 10 3.061 7.952 -3.247 70 HB2 TYR 10 HB2 TYR 10 2.599 9.075 -0.473 71 HB3 TYR 10 HB3 TYR 10 4.073 9.310 -1.408 72 HD1 TYR 10 HD2 TYR 10 2.758 9.690 -4.117 73 HD2 TYR 10 HD1 TYR 10 1.880 11.322 -0.287 74 HE1 TYR 10 HE2 TYR 10 1.749 11.654 -5.191 75 HE2 TYR 10 HE1 TYR 10 0.868 13.294 -1.355 76 HH TYR 10 HH TYR 10 0.943 14.497 -3.461 77 H THR 11 H THR 11 5.182 7.769 -1.636 78 HA THR 11 HA THR 11 6.626 6.354 -0.627 79 HB THR 11 HB THR 11 4.275 4.600 0.123 80 HG1 THR 11 HG1 THR 11 4.781 7.068 0.918 81 HG21 THR 11 HG21 THR 11 7.030 4.889 1.336 82 HG22 THR 11 HG22 THR 11 6.491 3.545 0.326 83 HG23 THR 11 HG23 THR 11 5.751 3.816 1.904 84 H ASP 12 H ASP 12 7.445 5.958 -2.696 85 HA ASP 12 HA ASP 12 6.611 4.010 -4.506 86 HB2 ASP 12 HB2 ASP 12 9.529 4.549 -3.945 87 HB3 ASP 12 HB3 ASP 12 8.774 4.137 -5.477 88 H GLY 13 H GLY 13 8.580 3.806 -1.627 89 HA2 GLY 13 HA2 GLY 13 8.075 1.340 -0.715 90 HA3 GLY 13 HA3 GLY 13 9.232 1.013 -2.003 91 H SER 14 H SER 14 8.908 1.669 1.228 92 HA SER 14 HA SER 14 11.187 3.351 1.603 93 HB2 SER 14 HB2 SER 14 9.706 1.732 3.677 94 HB3 SER 14 HB3 SER 14 10.707 3.158 3.951 95 HG SER 14 HG SER 14 9.184 4.400 2.875 96 H TYR 15 H TYR 15 12.813 2.050 0.496 97 HA TYR 15 HA TYR 15 14.163 0.465 2.520 98 HB2 TYR 15 HB2 TYR 15 14.642 -1.408 1.194 99 HB3 TYR 15 HB3 TYR 15 12.939 -1.102 0.903 100 HD1 TYR 15 HD1 TYR 15 12.215 -0.147 -1.287 101 HD2 TYR 15 HD2 TYR 15 16.248 -1.287 -0.546 102 HE1 TYR 15 HE1 TYR 15 12.645 -0.200 -3.711 103 HE2 TYR 15 HE2 TYR 15 16.688 -1.336 -2.961 104 HH TYR 15 HH TYR 15 15.419 -1.638 -5.045 105 H VAL 16 H VAL 16 16.397 0.532 2.396 106 HA VAL 16 HA VAL 16 17.789 1.853 0.281 107 HB VAL 16 HB VAL 16 16.741 3.825 1.323 108 HG11 VAL 16 HG11 VAL 16 17.382 4.520 3.593 109 HG12 VAL 16 HG12 VAL 16 18.199 2.973 3.818 110 HG13 VAL 16 HG13 VAL 16 16.451 3.022 3.583 111 HG21 VAL 16 HG21 VAL 16 19.709 3.642 1.798 112 HG22 VAL 16 HG22 VAL 16 18.779 5.139 1.719 113 HG23 VAL 16 HG23 VAL 16 18.912 4.107 0.295 114 H ASN 17 H ASN 17 19.965 1.441 0.406 115 HA ASN 17 HA ASN 17 21.926 0.527 1.094 116 HB2 ASN 17 HB2 ASN 17 20.825 1.417 3.746 117 HB3 ASN 17 HB3 ASN 17 22.367 0.575 3.636 118 HD21 ASN 17 HD21 ASN 17 24.068 1.546 2.494 119 HD22 ASN 17 HD22 ASN 17 24.115 3.266 2.267 120 H GLY 18 H GLY 18 19.522 -1.167 0.806 121 HA2 GLY 18 HA2 GLY 18 19.382 -3.498 0.794 122 HA3 GLY 18 HA3 GLY 18 20.734 -3.562 1.911 123 H GLN 19 H GLN 19 18.635 -1.416 3.244 124 HA GLN 19 HA GLN 19 17.210 -3.547 4.694 125 HB2 GLN 19 HB2 GLN 19 17.219 -2.054 6.676 126 HB3 GLN 19 HB3 GLN 19 18.827 -2.553 6.179 127 HG2 GLN 19 HG2 GLN 19 19.082 -0.369 5.025 128 HG3 GLN 19 HG3 GLN 19 17.529 0.116 5.706 129 HE21 GLN 19 HE21 GLN 19 20.199 1.240 6.090 130 HE22 GLN 19 HE22 GLN 19 20.491 1.198 7.794 131 H TYR 20 H TYR 20 15.059 -3.071 5.387 132 HA TYR 20 HA TYR 20 13.795 -0.828 3.997 133 HB2 TYR 20 HB2 TYR 20 12.113 -2.245 2.976 134 HB3 TYR 20 HB3 TYR 20 13.710 -2.793 2.478 135 HD1 TYR 20 HD2 TYR 20 14.635 -4.896 3.386 136 HD2 TYR 20 HD1 TYR 20 10.674 -3.633 4.292 137 HE1 TYR 20 HE2 TYR 20 14.095 -7.162 4.167 138 HE2 TYR 20 HE1 TYR 20 10.125 -5.895 5.079 139 HH TYR 20 HH TYR 20 12.494 -8.251 5.682 140 H ALA 21 H ALA 21 11.628 -0.416 4.653 141 HA ALA 21 HA ALA 21 10.724 -1.692 7.132 142 HB1 ALA 21 HB1 ALA 21 10.176 0.487 8.117 143 HB2 ALA 21 HB2 ALA 21 10.917 1.302 6.740 144 HB3 ALA 21 HB3 ALA 21 11.910 0.337 7.831 145 H TRP 22 H TRP 22 8.360 -0.956 7.566 146 HA TRP 22 HA TRP 22 7.054 -0.712 4.949 147 HB2 TRP 22 HB2 TRP 22 5.100 -1.760 5.853 148 HB3 TRP 22 HB3 TRP 22 6.481 -2.746 6.309 149 HD1 TRP 22 HD1 TRP 22 7.208 -2.675 8.938 150 HE1 TRP 22 HE1 TRP 22 5.805 -2.198 11.048 151 HE3 TRP 22 HE3 TRP 22 3.175 -0.444 6.727 152 HZ2 TRP 22 HZ2 TRP 22 3.307 -1.028 11.672 153 HZ3 TRP 22 HZ3 TRP 22 1.322 0.321 8.147 154 HH2 TRP 22 HH2 TRP 22 1.388 0.033 10.569 155 H ALA 23 H ALA 23 5.880 1.013 4.487 156 HA ALA 23 HA ALA 23 4.836 2.790 6.493 157 HB1 ALA 23 HB1 ALA 23 7.070 3.728 4.690 158 HB2 ALA 23 HB2 ALA 23 7.182 3.503 6.436 159 HB3 ALA 23 HB3 ALA 23 6.122 4.747 5.773 160 H TYR 24 H TYR 24 3.600 4.557 5.478 161 HA TYR 24 HA TYR 24 3.179 4.512 2.650 162 HB2 TYR 24 HB2 TYR 24 0.854 3.734 2.679 163 HB3 TYR 24 HB3 TYR 24 1.928 2.479 3.286 164 HD1 TYR 24 HD2 TYR 24 1.900 1.853 5.648 165 HD2 TYR 24 HD1 TYR 24 -0.747 4.819 4.132 166 HE1 TYR 24 HE2 TYR 24 0.557 1.697 7.699 167 HE2 TYR 24 HE1 TYR 24 -2.093 4.673 6.181 168 HH TYR 24 HH TYR 24 -1.002 3.320 8.969 169 H ALA 25 H ALA 25 1.452 5.998 1.995 170 HA ALA 25 HA ALA 25 0.471 7.811 4.054 171 HB1 ALA 25 HB1 ALA 25 1.996 8.779 1.635 172 HB2 ALA 25 HB2 ALA 25 2.571 8.825 3.301 173 HB3 ALA 25 HB3 ALA 25 1.180 9.798 2.819 174 H PHE 26 H PHE 26 -1.655 7.379 3.723 175 HA PHE 26 HA PHE 26 -2.717 7.254 1.027 176 HB2 PHE 26 HB2 PHE 26 -3.973 6.921 3.746 177 HB3 PHE 26 HB3 PHE 26 -4.949 7.035 2.285 178 HD1 PHE 26 HD2 PHE 26 -3.932 5.447 0.315 179 HD2 PHE 26 HD1 PHE 26 -3.608 4.792 4.508 180 HE1 PHE 26 HE2 PHE 26 -3.626 3.039 -0.089 181 HE2 PHE 26 HE1 PHE 26 -3.295 2.383 4.111 182 HZ PHE 26 HZ PHE 26 -3.308 1.505 1.808 183 H VAL 27 H VAL 27 -3.223 8.958 -0.060 184 HA VAL 27 HA VAL 27 -3.991 11.425 1.328 185 HB VAL 27 HB VAL 27 -1.617 11.613 0.942 186 HG11 VAL 27 HG11 VAL 27 -0.630 11.406 -1.291 187 HG12 VAL 27 HG12 VAL 27 -2.197 10.914 -1.930 188 HG13 VAL 27 HG13 VAL 27 -1.367 9.898 -0.752 189 HG21 VAL 27 HG21 VAL 27 -2.858 13.656 0.550 190 HG22 VAL 27 HG22 VAL 27 -3.133 13.195 -1.131 191 HG23 VAL 27 HG23 VAL 27 -1.500 13.551 -0.570 192 H LYS 28 H LYS 28 -5.366 12.770 0.175 193 HA LYS 28 HA LYS 28 -5.878 12.221 -2.627 194 HB2 LYS 28 HB2 LYS 28 -8.289 11.978 -2.366 195 HB3 LYS 28 HB3 LYS 28 -7.451 10.714 -1.476 196 HG2 LYS 28 HG2 LYS 28 -7.767 12.045 0.595 197 HG3 LYS 28 HG3 LYS 28 -8.734 13.187 -0.343 198 HD2 LYS 28 HD2 LYS 28 -10.146 11.166 -1.011 199 HD3 LYS 28 HD3 LYS 28 -9.324 10.310 0.296 200 HE2 LYS 28 HE2 LYS 28 -11.412 11.198 1.113 201 HE3 LYS 28 HE3 LYS 28 -10.075 12.069 1.864 202 HZ1 LYS 28 HZ1 LYS 28 -10.410 13.894 0.368 203 HZ2 LYS 28 HZ2 LYS 28 -11.896 13.527 1.097 204 HZ3 LYS 28 HZ3 LYS 28 -11.591 13.037 -0.500 205 H ASP 29 H ASP 29 -6.369 14.035 -3.725 206 HA ASP 29 HA ASP 29 -6.776 16.232 -4.196 207 HB2 ASP 29 HB2 ASP 29 -8.791 15.868 -2.688 208 HB3 ASP 29 HB3 ASP 29 -7.829 16.537 -1.377 209 H GLY 30 H GLY 30 -4.501 15.093 -2.322 210 HA2 GLY 30 HA2 GLY 30 -2.407 16.138 -1.937 211 HA3 GLY 30 HA3 GLY 30 -3.221 17.697 -1.912 212 H LYS 31 H LYS 31 -5.167 15.798 -0.146 213 HA LYS 31 HA LYS 31 -3.857 16.576 2.365 214 HB2 LYS 31 HB2 LYS 31 -6.734 15.915 1.761 215 HB3 LYS 31 HB3 LYS 31 -6.119 16.088 3.389 216 HG2 LYS 31 HG2 LYS 31 -7.236 18.109 2.686 217 HG3 LYS 31 HG3 LYS 31 -5.513 18.410 2.921 218 HD2 LYS 31 HD2 LYS 31 -5.113 18.440 0.583 219 HD3 LYS 31 HD3 LYS 31 -6.718 17.801 0.237 220 HE2 LYS 31 HE2 LYS 31 -7.733 19.857 1.027 221 HE3 LYS 31 HE3 LYS 31 -6.151 20.485 1.492 222 HZ1 LYS 31 HZ1 LYS 31 -6.860 21.397 -0.614 223 HZ2 LYS 31 HZ2 LYS 31 -7.027 19.840 -1.276 224 HZ3 LYS 31 HZ3 LYS 31 -5.494 20.421 -0.834 225 H VAL 32 H VAL 32 -3.263 15.129 3.798 226 HA VAL 32 HA VAL 32 -3.506 12.300 3.005 227 HB VAL 32 HB VAL 32 -1.205 13.104 2.960 228 HG11 VAL 32 HG11 VAL 32 -1.571 13.758 5.878 229 HG12 VAL 32 HG12 VAL 32 -1.354 14.913 4.563 230 HG13 VAL 32 HG13 VAL 32 -0.045 13.813 4.996 231 HG21 VAL 32 HG21 VAL 32 -0.171 11.426 4.403 232 HG22 VAL 32 HG22 VAL 32 -1.593 10.785 3.579 233 HG23 VAL 32 HG23 VAL 32 -1.692 11.243 5.279 234 H HIS 33 H HIS 33 -4.357 10.834 4.395 235 HA HIS 33 HA HIS 33 -5.303 11.930 6.962 236 HB2 HIS 33 HB2 HIS 33 -7.010 11.240 5.186 237 HB3 HIS 33 HB3 HIS 33 -6.535 9.580 5.538 238 HD1 HIS 33 HD1 HIS 33 -8.007 12.610 7.254 239 HD2 HIS 33 HD2 HIS 33 -7.755 8.486 7.745 240 HE1 HIS 33 HE1 HIS 33 -9.523 12.057 9.187 241 HE2 HIS 33 HE2 HIS 33 -9.209 9.593 9.581 242 H TYR 34 H TYR 34 -3.711 9.205 5.431 243 HA TYR 34 HA TYR 34 -3.265 8.052 8.108 244 HB2 TYR 34 HB2 TYR 34 -3.209 6.630 5.433 245 HB3 TYR 34 HB3 TYR 34 -2.963 5.881 7.006 246 HD1 TYR 34 HD1 TYR 34 -4.847 5.511 8.514 247 HD2 TYR 34 HD2 TYR 34 -5.423 7.248 4.674 248 HE1 TYR 34 HE1 TYR 34 -7.262 5.080 8.684 249 HE2 TYR 34 HE2 TYR 34 -7.836 6.822 4.834 250 HH TYR 34 HH TYR 34 -9.357 5.291 6.034 251 H GLU 35 H GLU 35 -1.170 7.569 8.706 252 HA GLU 35 HA GLU 35 1.064 7.893 6.954 253 HB2 GLU 35 HB2 GLU 35 0.351 10.249 7.203 254 HB3 GLU 35 HB3 GLU 35 0.481 10.096 8.946 255 HG2 GLU 35 HG2 GLU 35 2.949 9.395 8.367 256 HG3 GLU 35 HG3 GLU 35 2.614 10.305 6.894 257 H ASP 36 H ASP 36 2.438 6.449 7.779 258 HA ASP 36 HA ASP 36 3.595 6.809 10.320 259 HB2 ASP 36 HB2 ASP 36 3.012 4.591 11.326 260 HB3 ASP 36 HB3 ASP 36 1.671 5.726 11.267 261 H ALA 37 H ALA 37 5.157 4.989 10.821 262 HA ALA 37 HA ALA 37 6.053 3.421 8.574 263 HB1 ALA 37 HB1 ALA 37 8.254 4.454 8.409 264 HB2 ALA 37 HB2 ALA 37 7.795 5.661 9.612 265 HB3 ALA 37 HB3 ALA 37 6.992 5.630 8.043 266 H ASP 38 H ASP 38 6.894 1.590 9.336 267 HA ASP 38 HA ASP 38 8.289 1.553 11.894 268 HB2 ASP 38 HB2 ASP 38 5.979 1.223 12.569 269 HB3 ASP 38 HB3 ASP 38 5.767 -0.039 11.363 270 H VAL 39 H VAL 39 9.045 -0.826 12.316 271 HA VAL 39 HA VAL 39 10.388 -1.650 9.891 272 HB VAL 39 HB VAL 39 11.580 -3.246 11.407 273 HG11 VAL 39 HG11 VAL 39 12.521 -1.068 10.869 274 HG12 VAL 39 HG12 VAL 39 12.899 -1.514 12.533 275 HG13 VAL 39 HG13 VAL 39 11.627 -0.339 12.203 276 HG21 VAL 39 HG21 VAL 39 9.882 -3.521 13.120 277 HG22 VAL 39 HG22 VAL 39 10.011 -1.816 13.549 278 HG23 VAL 39 HG23 VAL 39 11.371 -2.904 13.834 279 H GLY 40 H GLY 40 10.394 -3.824 9.100 280 HA2 GLY 40 HA2 GLY 40 7.788 -4.847 8.784 281 HA3 GLY 40 HA3 GLY 40 9.267 -5.644 8.272 282 H LYS 41 H LYS 41 6.609 -6.058 10.090 283 HA LYS 41 HA LYS 41 7.946 -7.597 12.191 284 HB2 LYS 41 HB2 LYS 41 5.055 -6.744 11.927 285 HB3 LYS 41 HB3 LYS 41 5.727 -7.639 13.279 286 HG2 LYS 41 HG2 LYS 41 6.686 -4.901 12.495 287 HG3 LYS 41 HG3 LYS 41 5.368 -5.172 13.632 288 HD2 LYS 41 HD2 LYS 41 7.179 -4.948 15.044 289 HD3 LYS 41 HD3 LYS 41 7.091 -6.699 14.851 290 HE2 LYS 41 HE2 LYS 41 8.833 -6.574 13.120 291 HE3 LYS 41 HE3 LYS 41 8.927 -4.830 13.355 292 HZ1 LYS 41 HZ1 LYS 41 9.629 -6.946 15.315 293 HZ2 LYS 41 HZ2 LYS 41 9.509 -5.304 15.717 294 HZ3 LYS 41 HZ3 LYS 41 10.674 -5.820 14.594 295 H ASN 42 H ASN 42 6.002 -9.379 12.794 296 HA ASN 42 HA ASN 42 6.458 -11.447 10.927 297 HB2 ASN 42 HB2 ASN 42 4.471 -11.322 13.206 298 HB3 ASN 42 HB3 ASN 42 4.937 -12.785 12.344 299 HD21 ASN 42 HD21 ASN 42 5.154 -12.241 15.145 300 HD22 ASN 42 HD22 ASN 42 6.839 -12.350 15.544 301 HA PRO 43 HA PRO 43 3.180 -11.232 7.971 302 HB2 PRO 43 HB2 PRO 43 2.634 -14.088 8.598 303 HB3 PRO 43 HB3 PRO 43 2.986 -13.321 7.045 304 HG2 PRO 43 HG2 PRO 43 4.839 -14.778 8.274 305 HG3 PRO 43 HG3 PRO 43 5.274 -13.277 7.432 306 HD2 PRO 43 HD2 PRO 43 4.956 -13.786 10.364 307 HD3 PRO 43 HD3 PRO 43 6.159 -12.793 9.517 308 H ALA 44 H ALA 44 2.304 -13.162 10.869 309 HA ALA 44 HA ALA 44 -0.497 -12.549 10.512 310 HB1 ALA 44 HB1 ALA 44 -0.846 -13.796 12.574 311 HB2 ALA 44 HB2 ALA 44 0.893 -13.834 12.863 312 HB3 ALA 44 HB3 ALA 44 0.211 -14.692 11.483 313 H ALA 45 H ALA 45 2.195 -11.241 12.232 314 HA ALA 45 HA ALA 45 0.673 -9.638 14.054 315 HB1 ALA 45 HB1 ALA 45 2.796 -8.593 14.606 316 HB2 ALA 45 HB2 ALA 45 3.554 -9.355 13.210 317 HB3 ALA 45 HB3 ALA 45 2.976 -10.347 14.550 318 H ALA 46 H ALA 46 1.101 -9.468 10.772 319 HA ALA 46 HA ALA 46 1.249 -6.624 10.466 320 HB1 ALA 46 HB1 ALA 46 1.977 -8.146 8.683 321 HB2 ALA 46 HB2 ALA 46 0.725 -7.036 8.125 322 HB3 ALA 46 HB3 ALA 46 0.316 -8.712 8.495 323 H THR 47 H THR 47 -1.314 -9.041 10.530 324 HA THR 47 HA THR 47 -3.386 -7.068 10.091 325 HB THR 47 HB THR 47 -3.795 -9.932 10.947 326 HG1 THR 47 HG1 THR 47 -3.164 -8.870 8.380 327 HG21 THR 47 HG21 THR 47 -5.436 -8.051 9.242 328 HG22 THR 47 HG22 THR 47 -5.771 -8.476 10.920 329 HG23 THR 47 HG23 THR 47 -5.868 -9.709 9.663 330 H MET 48 H MET 48 -1.805 -8.631 12.743 331 HA MET 48 HA MET 48 -3.714 -7.412 14.620 332 HB2 MET 48 HB2 MET 48 -1.849 -9.764 15.000 333 HB3 MET 48 HB3 MET 48 -2.759 -9.015 16.302 334 HG2 MET 48 HG2 MET 48 -4.850 -9.610 15.192 335 HG3 MET 48 HG3 MET 48 -3.941 -10.345 13.873 336 HE1 MET 48 HE1 MET 48 -2.197 -13.362 15.644 337 HE2 MET 48 HE2 MET 48 -1.537 -11.745 15.401 338 HE3 MET 48 HE3 MET 48 -2.462 -12.521 14.116 339 H ARG 49 H ARG 49 -2.589 -5.413 14.195 340 HA ARG 49 HA ARG 49 -0.310 -5.081 15.986 341 HB2 ARG 49 HB2 ARG 49 0.560 -5.477 13.663 342 HB3 ARG 49 HB3 ARG 49 -0.287 -4.028 13.148 343 HG2 ARG 49 HG2 ARG 49 1.156 -2.621 14.277 344 HG3 ARG 49 HG3 ARG 49 1.682 -3.887 15.390 345 HD2 ARG 49 HD2 ARG 49 3.437 -3.343 13.784 346 HD3 ARG 49 HD3 ARG 49 2.875 -4.997 13.577 347 HE ARG 49 HE ARG 49 1.906 -2.833 11.829 348 HH11 ARG 49 HH11 ARG 49 3.396 -5.958 12.286 349 HH12 ARG 49 HH12 ARG 49 3.501 -6.314 10.586 350 HH21 ARG 49 HH21 ARG 49 2.042 -3.295 9.573 351 HH22 ARG 49 HH22 ARG 49 2.731 -4.798 9.054 352 H ASN 50 H ASN 50 0.033 -2.849 16.604 353 HA ASN 50 HA ASN 50 -2.155 -1.467 17.444 354 HB2 ASN 50 HB2 ASN 50 0.465 -0.195 16.615 355 HB3 ASN 50 HB3 ASN 50 -0.732 0.524 17.685 356 HD21 ASN 50 HD21 ASN 50 1.888 -1.679 17.408 357 HD22 ASN 50 HD22 ASN 50 1.974 -2.132 19.076 358 H VAL 51 H VAL 51 -0.476 -0.963 14.386 359 HA VAL 51 HA VAL 51 -1.948 1.359 13.657 360 HB VAL 51 HB VAL 51 -0.321 -0.438 11.856 361 HG11 VAL 51 HG11 VAL 51 -0.019 1.614 10.524 362 HG12 VAL 51 HG12 VAL 51 -1.117 2.463 11.613 363 HG13 VAL 51 HG13 VAL 51 -1.710 1.123 10.629 364 HG21 VAL 51 HG21 VAL 51 1.557 1.078 12.321 365 HG22 VAL 51 HG22 VAL 51 1.016 0.240 13.775 366 HG23 VAL 51 HG23 VAL 51 0.571 1.927 13.511 367 H ALA 52 H ALA 52 -2.499 -2.041 13.260 368 HA ALA 52 HA ALA 52 -3.857 -2.151 10.845 369 HB1 ALA 52 HB1 ALA 52 -4.793 -4.251 11.627 370 HB2 ALA 52 HB2 ALA 52 -4.343 -3.850 13.283 371 HB3 ALA 52 HB3 ALA 52 -3.092 -4.116 12.072 372 H GLY 53 H GLY 53 -5.040 -1.075 13.973 373 HA2 GLY 53 HA2 GLY 53 -7.805 -1.246 13.496 374 HA3 GLY 53 HA3 GLY 53 -7.030 -0.102 14.584 375 H GLU 54 H GLU 54 -5.532 1.402 12.880 376 HA GLU 54 HA GLU 54 -7.452 3.091 11.631 377 HB2 GLU 54 HB2 GLU 54 -4.454 3.063 11.808 378 HB3 GLU 54 HB3 GLU 54 -5.254 4.163 10.698 379 HG2 GLU 54 HG2 GLU 54 -4.676 5.190 12.858 380 HG3 GLU 54 HG3 GLU 54 -6.397 5.254 12.492 381 H ILE 55 H ILE 55 -5.082 0.755 10.476 382 HA ILE 55 HA ILE 55 -5.284 1.240 7.729 383 HB ILE 55 HB ILE 55 -4.706 -1.371 9.138 384 HG12 ILE 55 HG12 ILE 55 -2.841 0.707 7.976 385 HG13 ILE 55 HG13 ILE 55 -3.149 0.468 9.690 386 HG21 ILE 55 HG21 ILE 55 -3.665 -2.086 7.046 387 HG22 ILE 55 HG22 ILE 55 -4.185 -0.588 6.274 388 HG23 ILE 55 HG23 ILE 55 -5.384 -1.756 6.829 389 HD11 ILE 55 HD11 ILE 55 -2.216 -1.796 9.520 390 HD12 ILE 55 HD12 ILE 55 -1.055 -0.546 9.070 391 HD13 ILE 55 HD13 ILE 55 -1.853 -1.500 7.819 392 H ALA 56 H ALA 56 -7.253 -0.758 9.865 393 HA ALA 56 HA ALA 56 -8.767 -2.151 7.993 394 HB1 ALA 56 HB1 ALA 56 -8.827 -2.587 10.409 395 HB2 ALA 56 HB2 ALA 56 -10.445 -2.398 9.734 396 HB3 ALA 56 HB3 ALA 56 -9.713 -1.084 10.653 397 H ALA 57 H ALA 57 -9.182 1.126 9.234 398 HA ALA 57 HA ALA 57 -11.687 1.638 8.032 399 HB1 ALA 57 HB1 ALA 57 -10.788 3.000 9.856 400 HB2 ALA 57 HB2 ALA 57 -11.209 3.990 8.458 401 HB3 ALA 57 HB3 ALA 57 -9.520 3.600 8.785 402 H ALA 58 H ALA 58 -8.369 2.044 6.933 403 HA ALA 58 HA ALA 58 -9.056 3.338 4.474 404 HB1 ALA 58 HB1 ALA 58 -6.716 2.964 3.866 405 HB2 ALA 58 HB2 ALA 58 -6.516 1.916 5.271 406 HB3 ALA 58 HB3 ALA 58 -6.855 3.632 5.493 407 H LEU 59 H LEU 59 -8.449 0.041 5.505 408 HA LEU 59 HA LEU 59 -8.367 -1.172 2.972 409 HB2 LEU 59 HB2 LEU 59 -7.678 -2.192 5.164 410 HB3 LEU 59 HB3 LEU 59 -9.375 -2.386 5.549 411 HG LEU 59 HG LEU 59 -8.299 -3.631 3.045 412 HD11 LEU 59 HD11 LEU 59 -7.777 -5.665 4.349 413 HD12 LEU 59 HD12 LEU 59 -8.030 -4.751 5.835 414 HD13 LEU 59 HD13 LEU 59 -6.713 -4.317 4.746 415 HD21 LEU 59 HD21 LEU 59 -10.021 -5.298 3.543 416 HD22 LEU 59 HD22 LEU 59 -10.708 -3.675 3.457 417 HD23 LEU 59 HD23 LEU 59 -10.431 -4.433 5.024 418 H TYR 60 H TYR 60 -11.051 -0.368 5.120 419 HA TYR 60 HA TYR 60 -13.047 -1.653 3.566 420 HB2 TYR 60 HB2 TYR 60 -13.219 -0.892 6.001 421 HB3 TYR 60 HB3 TYR 60 -13.520 0.723 5.362 422 HD1 TYR 60 HD2 TYR 60 -14.752 -2.778 5.130 423 HD2 TYR 60 HD1 TYR 60 -15.707 1.354 4.835 424 HE1 TYR 60 HE2 TYR 60 -17.122 -3.354 4.856 425 HE2 TYR 60 HE1 TYR 60 -18.087 0.790 4.559 426 HH TYR 60 HH TYR 60 -19.454 -1.131 3.810 427 H ALA 61 H ALA 61 -11.549 1.510 3.458 428 HA ALA 61 HA ALA 61 -13.344 2.713 1.620 429 HB1 ALA 61 HB1 ALA 61 -11.563 4.333 1.216 430 HB2 ALA 61 HB2 ALA 61 -10.410 3.291 2.048 431 HB3 ALA 61 HB3 ALA 61 -11.742 4.021 2.942 432 H VAL 62 H VAL 62 -10.553 0.626 1.294 433 HA VAL 62 HA VAL 62 -10.232 0.742 -1.499 434 HB VAL 62 HB VAL 62 -9.710 -1.573 0.386 435 HG11 VAL 62 HG11 VAL 62 -8.180 -2.401 -1.329 436 HG12 VAL 62 HG12 VAL 62 -8.675 -1.094 -2.406 437 HG13 VAL 62 HG13 VAL 62 -9.837 -2.333 -1.927 438 HG21 VAL 62 HG21 VAL 62 -8.465 0.417 1.005 439 HG22 VAL 62 HG22 VAL 62 -7.873 0.581 -0.649 440 HG23 VAL 62 HG23 VAL 62 -7.381 -0.799 0.331 441 H LYS 63 H LYS 63 -12.384 -1.118 0.576 442 HA LYS 63 HA LYS 63 -13.455 -2.762 -1.471 443 HB2 LYS 63 HB2 LYS 63 -13.647 -3.190 1.002 444 HB3 LYS 63 HB3 LYS 63 -14.833 -1.893 1.073 445 HG2 LYS 63 HG2 LYS 63 -16.247 -3.128 -0.516 446 HG3 LYS 63 HG3 LYS 63 -15.071 -4.442 -0.505 447 HD2 LYS 63 HD2 LYS 63 -15.402 -4.595 1.973 448 HD3 LYS 63 HD3 LYS 63 -16.732 -3.450 1.797 449 HE2 LYS 63 HE2 LYS 63 -17.591 -5.714 1.841 450 HE3 LYS 63 HE3 LYS 63 -17.846 -4.994 0.252 451 HZ1 LYS 63 HZ1 LYS 63 -17.038 -7.293 0.135 452 HZ2 LYS 63 HZ2 LYS 63 -15.620 -6.840 0.945 453 HZ3 LYS 63 HZ3 LYS 63 -15.956 -6.209 -0.595 454 H LYS 64 H LYS 64 -14.298 0.394 -0.163 455 HA LYS 64 HA LYS 64 -16.680 0.788 -1.605 456 HB2 LYS 64 HB2 LYS 64 -14.689 2.658 -0.372 457 HB3 LYS 64 HB3 LYS 64 -15.999 3.288 -1.357 458 HG2 LYS 64 HG2 LYS 64 -16.249 1.675 1.172 459 HG3 LYS 64 HG3 LYS 64 -16.645 3.382 0.943 460 HD2 LYS 64 HD2 LYS 64 -18.289 2.574 -0.840 461 HD3 LYS 64 HD3 LYS 64 -18.052 0.964 -0.159 462 HE2 LYS 64 HE2 LYS 64 -20.002 1.925 0.839 463 HE3 LYS 64 HE3 LYS 64 -18.726 1.877 2.055 464 HZ1 LYS 64 HZ1 LYS 64 -18.334 4.190 1.790 465 HZ2 LYS 64 HZ2 LYS 64 -20.008 3.997 1.961 466 HZ3 LYS 64 HZ3 LYS 64 -19.342 4.283 0.430 467 H ALA 65 H ALA 65 -13.308 1.386 -2.447 468 HA ALA 65 HA ALA 65 -13.750 2.644 -4.920 469 HB1 ALA 65 HB1 ALA 65 -11.557 2.578 -3.818 470 HB2 ALA 65 HB2 ALA 65 -11.470 1.989 -5.479 471 HB3 ALA 65 HB3 ALA 65 -11.456 0.847 -4.135 472 H SER 66 H SER 66 -13.613 -0.754 -3.995 473 HA SER 66 HA SER 66 -13.806 -1.857 -6.584 474 HB2 SER 66 HB2 SER 66 -13.145 -3.183 -4.614 475 HB3 SER 66 HB3 SER 66 -14.763 -2.996 -3.944 476 HG SER 66 HG SER 66 -15.584 -4.242 -5.591 477 H GLN 67 H GLN 67 -16.191 -0.623 -4.328 478 HA GLN 67 HA GLN 67 -18.497 -1.616 -5.598 479 HB2 GLN 67 HB2 GLN 67 -18.099 0.835 -3.876 480 HB3 GLN 67 HB3 GLN 67 -19.655 0.173 -4.330 481 HG2 GLN 67 HG2 GLN 67 -17.569 -1.289 -2.741 482 HG3 GLN 67 HG3 GLN 67 -18.967 -0.457 -2.059 483 HE21 GLN 67 HE21 GLN 67 -20.995 -1.344 -2.293 484 HE22 GLN 67 HE22 GLN 67 -21.251 -2.971 -2.818 485 H LEU 68 H LEU 68 -16.564 1.291 -6.069 486 HA LEU 68 HA LEU 68 -18.365 2.361 -8.059 487 HB2 LEU 68 HB2 LEU 68 -15.707 3.183 -6.956 488 HB3 LEU 68 HB3 LEU 68 -16.272 3.884 -8.460 489 HG LEU 68 HG LEU 68 -18.307 4.691 -7.266 490 HD11 LEU 68 HD11 LEU 68 -18.316 4.737 -4.829 491 HD12 LEU 68 HD12 LEU 68 -16.845 3.765 -4.799 492 HD13 LEU 68 HD13 LEU 68 -18.340 3.081 -5.436 493 HD21 LEU 68 HD21 LEU 68 -16.400 6.154 -7.633 494 HD22 LEU 68 HD22 LEU 68 -15.667 5.596 -6.130 495 HD23 LEU 68 HD23 LEU 68 -17.175 6.508 -6.089 496 H GLY 69 H GLY 69 -15.585 0.303 -7.970 497 HA2 GLY 69 HA2 GLY 69 -15.071 -1.189 -9.735 498 HA3 GLY 69 HA3 GLY 69 -15.848 -0.086 -10.861 499 H VAL 70 H VAL 70 -13.580 1.062 -8.478 500 HA VAL 70 HA VAL 70 -11.578 1.430 -10.612 501 HB VAL 70 HB VAL 70 -10.883 3.535 -9.508 502 HG11 VAL 70 HG11 VAL 70 -13.782 3.471 -10.333 503 HG12 VAL 70 HG12 VAL 70 -12.395 3.634 -11.409 504 HG13 VAL 70 HG13 VAL 70 -12.769 4.911 -10.251 505 HG21 VAL 70 HG21 VAL 70 -11.689 3.073 -7.254 506 HG22 VAL 70 HG22 VAL 70 -13.357 3.141 -7.825 507 HG23 VAL 70 HG23 VAL 70 -12.356 4.592 -7.856 508 H LYS 71 H LYS 71 -9.348 1.857 -9.665 509 HA LYS 71 HA LYS 71 -8.891 0.597 -7.084 510 HB2 LYS 71 HB2 LYS 71 -7.558 -1.172 -7.820 511 HB3 LYS 71 HB3 LYS 71 -8.876 -1.178 -8.977 512 HG2 LYS 71 HG2 LYS 71 -6.224 0.140 -9.492 513 HG3 LYS 71 HG3 LYS 71 -6.591 -1.525 -9.932 514 HD2 LYS 71 HD2 LYS 71 -8.151 0.871 -10.886 515 HD3 LYS 71 HD3 LYS 71 -6.846 0.106 -11.794 516 HE2 LYS 71 HE2 LYS 71 -8.156 -2.039 -11.642 517 HE3 LYS 71 HE3 LYS 71 -9.496 -1.086 -11.002 518 HZ1 LYS 71 HZ1 LYS 71 -9.445 0.243 -13.039 519 HZ2 LYS 71 HZ2 LYS 71 -9.734 -1.394 -13.374 520 HZ3 LYS 71 HZ3 LYS 71 -8.199 -0.731 -13.653 521 H ILE 72 H ILE 72 -6.225 0.487 -6.936 522 HA ILE 72 HA ILE 72 -5.385 3.200 -7.721 523 HB ILE 72 HB ILE 72 -3.726 3.138 -5.973 524 HG12 ILE 72 HG12 ILE 72 -4.748 0.450 -5.075 525 HG13 ILE 72 HG13 ILE 72 -3.398 0.597 -6.197 526 HG21 ILE 72 HG21 ILE 72 -6.412 2.245 -4.940 527 HG22 ILE 72 HG22 ILE 72 -5.939 3.897 -5.338 528 HG23 ILE 72 HG23 ILE 72 -5.166 3.061 -3.993 529 HD11 ILE 72 HD11 ILE 72 -2.152 1.871 -4.550 530 HD12 ILE 72 HD12 ILE 72 -2.641 0.302 -3.902 531 HD13 ILE 72 HD13 ILE 72 -3.509 1.763 -3.427 532 H ARG 73 H ARG 73 -3.272 3.509 -8.560 533 HA ARG 73 HA ARG 73 -2.035 1.055 -9.601 534 HB2 ARG 73 HB2 ARG 73 -1.444 2.602 -11.640 535 HB3 ARG 73 HB3 ARG 73 -2.982 1.757 -11.563 536 HG2 ARG 73 HG2 ARG 73 -4.137 3.727 -10.934 537 HG3 ARG 73 HG3 ARG 73 -2.630 4.592 -10.633 538 HD2 ARG 73 HD2 ARG 73 -3.398 3.525 -13.342 539 HD3 ARG 73 HD3 ARG 73 -3.817 5.150 -12.795 540 HE ARG 73 HE ARG 73 -1.272 5.316 -12.418 541 HH11 ARG 73 HH11 ARG 73 -2.812 3.550 -15.040 542 HH12 ARG 73 HH12 ARG 73 -1.491 3.814 -16.143 543 HH21 ARG 73 HH21 ARG 73 0.442 5.659 -13.856 544 HH22 ARG 73 HH22 ARG 73 0.355 5.016 -15.473 545 H ILE 74 H ILE 74 -0.324 0.973 -8.293 546 HA ILE 74 HA ILE 74 1.605 3.166 -8.541 547 HB ILE 74 HB ILE 74 2.719 2.289 -6.555 548 HG12 ILE 74 HG12 ILE 74 0.352 0.455 -6.204 549 HG13 ILE 74 HG13 ILE 74 1.912 -0.074 -6.826 550 HG21 ILE 74 HG21 ILE 74 1.052 2.987 -4.893 551 HG22 ILE 74 HG22 ILE 74 -0.196 2.899 -6.135 552 HG23 ILE 74 HG23 ILE 74 1.114 4.070 -6.282 553 HD11 ILE 74 HD11 ILE 74 2.970 0.605 -4.730 554 HD12 ILE 74 HD12 ILE 74 1.703 -0.592 -4.471 555 HD13 ILE 74 HD13 ILE 74 1.399 1.107 -4.105 556 H LEU 75 H LEU 75 3.694 2.641 -9.215 557 HA LEU 75 HA LEU 75 3.985 0.754 -11.177 558 HB2 LEU 75 HB2 LEU 75 6.102 1.964 -9.402 559 HB3 LEU 75 HB3 LEU 75 6.472 0.977 -10.799 560 HG LEU 75 HG LEU 75 5.157 2.689 -12.171 561 HD11 LEU 75 HD11 LEU 75 4.004 3.794 -10.341 562 HD12 LEU 75 HD12 LEU 75 5.011 4.935 -11.232 563 HD13 LEU 75 HD13 LEU 75 5.546 4.322 -9.668 564 HD21 LEU 75 HD21 LEU 75 7.578 2.494 -12.245 565 HD22 LEU 75 HD22 LEU 75 7.723 3.518 -10.818 566 HD23 LEU 75 HD23 LEU 75 7.089 4.186 -12.323 567 H HIS 76 H HIS 76 3.743 -1.363 -11.063 568 HA HIS 76 HA HIS 76 5.385 -2.911 -9.263 569 HB2 HIS 76 HB2 HIS 76 3.642 -4.144 -8.186 570 HB3 HIS 76 HB3 HIS 76 3.298 -2.437 -7.943 571 HD1 HIS 76 HD1 HIS 76 1.301 -1.436 -9.390 572 HD2 HIS 76 HD2 HIS 76 1.658 -5.581 -9.427 573 HE1 HIS 76 HE1 HIS 76 -0.903 -2.300 -10.253 574 HE2 HIS 76 HE2 HIS 76 -0.687 -4.808 -10.206 575 H ASP 77 H ASP 77 4.366 -2.349 -12.186 576 HA ASP 77 HA ASP 77 4.197 -3.440 -14.143 577 HB2 ASP 77 HB2 ASP 77 5.801 -5.428 -12.561 578 HB3 ASP 77 HB3 ASP 77 5.373 -5.719 -14.245 579 H TYR 78 H TYR 78 3.788 -5.966 -14.943 580 HA TYR 78 HA TYR 78 1.064 -6.467 -13.960 581 HB2 TYR 78 HB2 TYR 78 0.847 -7.554 -16.301 582 HB3 TYR 78 HB3 TYR 78 0.895 -5.796 -16.200 583 HD1 TYR 78 HD2 TYR 78 2.991 -8.785 -16.927 584 HD2 TYR 78 HD1 TYR 78 2.557 -4.570 -17.326 585 HE1 TYR 78 HE2 TYR 78 4.903 -8.739 -18.474 586 HE2 TYR 78 HE1 TYR 78 4.467 -4.515 -18.871 587 HH TYR 78 HH TYR 78 6.523 -5.949 -19.307 588 H ALA 79 H ALA 79 4.065 -7.715 -13.686 589 HA ALA 79 HA ALA 79 3.978 -10.347 -14.537 590 HB1 ALA 79 HB1 ALA 79 5.819 -10.752 -13.029 591 HB2 ALA 79 HB2 ALA 79 5.422 -9.300 -12.111 592 HB3 ALA 79 HB3 ALA 79 5.998 -9.162 -13.772 593 H GLY 80 H GLY 80 3.255 -9.149 -11.246 594 HA2 GLY 80 HA2 GLY 80 2.628 -11.689 -10.196 595 HA3 GLY 80 HA3 GLY 80 2.190 -10.151 -9.474 596 H ILE 81 H ILE 81 0.621 -9.284 -11.782 597 HA ILE 81 HA ILE 81 -1.855 -10.454 -10.937 598 HB ILE 81 HB ILE 81 -1.330 -8.456 -13.149 599 HG12 ILE 81 HG12 ILE 81 -2.202 -8.042 -10.281 600 HG13 ILE 81 HG13 ILE 81 -0.615 -7.653 -10.937 601 HG21 ILE 81 HG21 ILE 81 -3.903 -9.225 -11.773 602 HG22 ILE 81 HG22 ILE 81 -3.460 -9.592 -13.441 603 HG23 ILE 81 HG23 ILE 81 -3.715 -7.920 -12.944 604 HD11 ILE 81 HD11 ILE 81 -1.961 -5.659 -10.720 605 HD12 ILE 81 HD12 ILE 81 -3.228 -6.379 -11.714 606 HD13 ILE 81 HD13 ILE 81 -1.658 -6.002 -12.424 607 H ALA 82 H ALA 82 0.128 -10.548 -13.848 608 HA ALA 82 HA ALA 82 -1.712 -11.735 -15.577 609 HB1 ALA 82 HB1 ALA 82 0.172 -12.253 -16.988 610 HB2 ALA 82 HB2 ALA 82 1.288 -12.041 -15.637 611 HB3 ALA 82 HB3 ALA 82 0.397 -10.658 -16.273 612 H PHE 83 H PHE 83 0.536 -13.202 -13.288 613 HA PHE 83 HA PHE 83 0.386 -15.823 -14.315 614 HB2 PHE 83 HB2 PHE 83 1.876 -14.569 -12.368 615 HB3 PHE 83 HB3 PHE 83 0.866 -15.663 -11.431 616 HD1 PHE 83 HD2 PHE 83 0.744 -17.661 -13.907 617 HD2 PHE 83 HD1 PHE 83 3.860 -15.815 -11.676 618 HE1 PHE 83 HE2 PHE 83 2.250 -19.521 -14.481 619 HE2 PHE 83 HE1 PHE 83 5.372 -17.667 -12.246 620 HZ PHE 83 HZ PHE 83 4.564 -19.525 -13.651 621 H TRP 84 H TRP 84 -1.448 -14.177 -11.774 622 HA TRP 84 HA TRP 84 -2.914 -16.517 -11.033 623 HB2 TRP 84 HB2 TRP 84 -3.273 -13.591 -10.412 624 HB3 TRP 84 HB3 TRP 84 -4.380 -14.826 -9.822 625 HD1 TRP 84 HD1 TRP 84 -0.635 -13.874 -9.566 626 HE1 TRP 84 HE1 TRP 84 0.254 -14.727 -7.308 627 HE3 TRP 84 HE3 TRP 84 -4.799 -16.352 -7.939 628 HZ2 TRP 84 HZ2 TRP 84 -0.687 -16.241 -5.119 629 HZ3 TRP 84 HZ3 TRP 84 -4.722 -17.474 -5.751 630 HH2 TRP 84 HH2 TRP 84 -2.709 -17.421 -4.372 631 H ALA 85 H ALA 85 -3.256 -14.131 -13.487 632 HA ALA 85 HA ALA 85 -6.080 -14.670 -13.953 633 HB1 ALA 85 HB1 ALA 85 -5.206 -12.426 -14.338 634 HB2 ALA 85 HB2 ALA 85 -5.825 -13.116 -15.837 635 HB3 ALA 85 HB3 ALA 85 -4.085 -13.047 -15.548 636 H THR 86 H THR 86 -3.019 -15.918 -14.989 637 HA THR 86 HA THR 86 -4.232 -17.259 -17.279 638 HB THR 86 HB THR 86 -1.932 -18.191 -17.648 639 HG1 THR 86 HG1 THR 86 -0.420 -16.562 -16.310 640 HG21 THR 86 HG21 THR 86 -2.681 -16.203 -18.836 641 HG22 THR 86 HG22 THR 86 -0.969 -16.064 -18.432 642 HG23 THR 86 HG23 THR 86 -2.173 -15.185 -17.488 643 H GLY 87 H GLY 87 -2.799 -18.002 -14.126 644 HA2 GLY 87 HA2 GLY 87 -3.821 -19.636 -12.716 645 HA3 GLY 87 HA3 GLY 87 -4.387 -20.475 -14.150 646 H GLU 88 H GLU 88 -1.896 -20.205 -11.816 647 HA GLU 88 HA GLU 88 0.136 -21.694 -13.117 648 HB2 GLU 88 HB2 GLU 88 -0.505 -21.391 -10.176 649 HB3 GLU 88 HB3 GLU 88 0.957 -22.138 -10.801 650 HG2 GLU 88 HG2 GLU 88 1.541 -19.995 -11.874 651 HG3 GLU 88 HG3 GLU 88 0.119 -19.268 -11.125 652 H TRP 89 H TRP 89 -2.659 -22.550 -11.186 653 HA TRP 89 HA TRP 89 -1.963 -25.396 -11.344 654 HB2 TRP 89 HB2 TRP 89 -4.151 -24.195 -9.646 655 HB3 TRP 89 HB3 TRP 89 -3.335 -25.741 -9.442 656 HD1 TRP 89 HD1 TRP 89 -0.948 -25.727 -8.236 657 HE1 TRP 89 HE1 TRP 89 0.230 -23.977 -6.757 658 HE3 TRP 89 HE3 TRP 89 -3.865 -21.670 -9.296 659 HZ2 TRP 89 HZ2 TRP 89 -0.050 -21.248 -6.121 660 HZ3 TRP 89 HZ3 TRP 89 -3.347 -19.525 -8.209 661 HH2 TRP 89 HH2 TRP 89 -1.476 -19.317 -6.651 662 H LYS 90 H LYS 90 -4.014 -26.834 -11.470 663 HA LYS 90 HA LYS 90 -5.553 -26.138 -13.782 664 HB2 LYS 90 HB2 LYS 90 -6.001 -28.329 -11.736 665 HB3 LYS 90 HB3 LYS 90 -6.817 -28.200 -13.288 666 HG2 LYS 90 HG2 LYS 90 -4.757 -28.575 -14.461 667 HG3 LYS 90 HG3 LYS 90 -3.846 -28.540 -12.948 668 HD2 LYS 90 HD2 LYS 90 -5.955 -30.560 -13.710 669 HD3 LYS 90 HD3 LYS 90 -4.212 -30.838 -13.680 670 HE2 LYS 90 HE2 LYS 90 -4.158 -30.447 -11.290 671 HE3 LYS 90 HE3 LYS 90 -5.877 -30.056 -11.287 672 HZ1 LYS 90 HZ1 LYS 90 -5.448 -32.311 -10.526 673 HZ2 LYS 90 HZ2 LYS 90 -4.719 -32.697 -12.007 674 HZ3 LYS 90 HZ3 LYS 90 -6.371 -32.317 -11.948 675 H ALA 91 H ALA 91 -7.176 -24.706 -13.755 676 HA ALA 91 HA ALA 91 -8.317 -24.046 -11.143 677 HB1 ALA 91 HB1 ALA 91 -7.310 -22.204 -12.349 678 HB2 ALA 91 HB2 ALA 91 -9.047 -21.953 -12.172 679 HB3 ALA 91 HB3 ALA 91 -8.386 -22.490 -13.716 680 H LYS 92 H LYS 92 -9.699 -25.807 -11.026 681 HA LYS 92 HA LYS 92 -11.694 -26.885 -11.160 682 HB2 LYS 92 HB2 LYS 92 -12.288 -24.808 -10.022 683 HB3 LYS 92 HB3 LYS 92 -12.606 -24.037 -11.568 684 HG2 LYS 92 HG2 LYS 92 -14.680 -24.650 -10.538 685 HG3 LYS 92 HG3 LYS 92 -14.423 -25.657 -11.965 686 HD2 LYS 92 HD2 LYS 92 -13.616 -27.468 -10.525 687 HD3 LYS 92 HD3 LYS 92 -13.899 -26.457 -9.106 688 HE2 LYS 92 HE2 LYS 92 -16.288 -26.336 -9.711 689 HE3 LYS 92 HE3 LYS 92 -15.976 -27.422 -11.065 690 HZ1 LYS 92 HZ1 LYS 92 -15.207 -29.089 -9.453 691 HZ2 LYS 92 HZ2 LYS 92 -16.830 -28.659 -9.218 692 HZ3 LYS 92 HZ3 LYS 92 -15.637 -28.046 -8.186 693 H ASN 93 H ASN 93 -11.284 -28.056 -13.086 694 HA ASN 93 HA ASN 93 -11.920 -28.945 -15.083 695 HB2 ASN 93 HB2 ASN 93 -14.196 -26.958 -14.866 696 HB3 ASN 93 HB3 ASN 93 -14.105 -28.253 -16.054 697 HD21 ASN 93 HD21 ASN 93 -16.080 -27.736 -13.979 698 HD22 ASN 93 HD22 ASN 93 -16.117 -29.165 -12.983 699 H GLU 94 H GLU 94 -10.403 -26.313 -14.748 700 HA GLU 94 HA GLU 94 -9.348 -24.756 -15.956 701 HB2 GLU 94 HB2 GLU 94 -10.052 -26.505 -18.314 702 HB3 GLU 94 HB3 GLU 94 -8.833 -25.234 -18.297 703 HG2 GLU 94 HG2 GLU 94 -8.767 -27.945 -17.105 704 HG3 GLU 94 HG3 GLU 94 -7.496 -27.031 -17.919 705 H PHE 95 H PHE 95 -12.527 -25.026 -15.973 706 HA PHE 95 HA PHE 95 -13.283 -23.073 -17.917 707 HB2 PHE 95 HB2 PHE 95 -14.986 -24.547 -17.071 708 HB3 PHE 95 HB3 PHE 95 -14.608 -24.126 -15.406 709 HD1 PHE 95 HD2 PHE 95 -15.987 -22.752 -18.567 710 HD2 PHE 95 HD1 PHE 95 -15.713 -22.387 -14.337 711 HE1 PHE 95 HE2 PHE 95 -17.727 -21.012 -18.607 712 HE2 PHE 95 HE1 PHE 95 -17.452 -20.648 -14.367 713 HZ PHE 95 HZ PHE 95 -18.460 -19.957 -16.506 714 H THR 96 H THR 96 -12.442 -23.093 -14.513 715 HA THR 96 HA THR 96 -12.785 -20.299 -14.111 716 HB THR 96 HB THR 96 -11.103 -22.205 -12.472 717 HG1 THR 96 HG1 THR 96 -13.084 -23.098 -12.415 718 HG21 THR 96 HG21 THR 96 -12.488 -19.613 -11.751 719 HG22 THR 96 HG22 THR 96 -10.749 -19.842 -11.931 720 HG23 THR 96 HG23 THR 96 -11.614 -20.658 -10.630 721 H GLN 97 H GLN 97 -10.151 -22.339 -15.200 722 HA GLN 97 HA GLN 97 -8.006 -20.604 -14.988 723 HB2 GLN 97 HB2 GLN 97 -8.419 -23.065 -16.135 724 HB3 GLN 97 HB3 GLN 97 -8.107 -22.050 -17.537 725 HG2 GLN 97 HG2 GLN 97 -6.126 -21.221 -15.971 726 HG3 GLN 97 HG3 GLN 97 -6.314 -22.851 -15.334 727 HE21 GLN 97 HE21 GLN 97 -5.926 -24.630 -16.693 728 HE22 GLN 97 HE22 GLN 97 -5.024 -24.449 -18.169 729 H ALA 98 H ALA 98 -10.365 -20.883 -17.636 730 HA ALA 98 HA ALA 98 -9.297 -18.684 -19.108 731 HB1 ALA 98 HB1 ALA 98 -10.592 -20.452 -20.192 732 HB2 ALA 98 HB2 ALA 98 -11.321 -18.869 -20.463 733 HB3 ALA 98 HB3 ALA 98 -12.023 -19.971 -19.279 734 H TYR 99 H TYR 99 -11.747 -19.074 -16.657 735 HA TYR 99 HA TYR 99 -12.942 -16.518 -16.858 736 HB2 TYR 99 HB2 TYR 99 -14.031 -18.392 -15.741 737 HB3 TYR 99 HB3 TYR 99 -12.757 -18.448 -14.533 738 HD1 TYR 99 HD1 TYR 99 -14.656 -15.522 -15.881 739 HD2 TYR 99 HD2 TYR 99 -13.783 -17.982 -12.525 740 HE1 TYR 99 HE1 TYR 99 -15.975 -14.020 -14.443 741 HE2 TYR 99 HE2 TYR 99 -15.091 -16.489 -11.079 742 HH TYR 99 HH TYR 99 -17.189 -14.119 -12.283 743 H ALA 100 H ALA 100 -10.141 -17.735 -15.130 744 HA ALA 100 HA ALA 100 -9.624 -15.684 -13.335 745 HB1 ALA 100 HB1 ALA 100 -7.612 -17.312 -14.873 746 HB2 ALA 100 HB2 ALA 100 -8.409 -17.804 -13.378 747 HB3 ALA 100 HB3 ALA 100 -7.310 -16.423 -13.381 748 H LYS 101 H LYS 101 -9.131 -15.772 -16.777 749 HA LYS 101 HA LYS 101 -7.280 -13.746 -17.151 750 HB2 LYS 101 HB2 LYS 101 -8.246 -15.263 -18.900 751 HB3 LYS 101 HB3 LYS 101 -9.699 -14.277 -18.882 752 HG2 LYS 101 HG2 LYS 101 -8.457 -13.546 -20.727 753 HG3 LYS 101 HG3 LYS 101 -8.209 -12.318 -19.483 754 HD2 LYS 101 HD2 LYS 101 -6.115 -12.877 -20.630 755 HD3 LYS 101 HD3 LYS 101 -6.053 -13.308 -18.921 756 HE2 LYS 101 HE2 LYS 101 -5.083 -15.043 -20.383 757 HE3 LYS 101 HE3 LYS 101 -6.455 -15.628 -19.443 758 HZ1 LYS 101 HZ1 LYS 101 -6.508 -14.825 -22.308 759 HZ2 LYS 101 HZ2 LYS 101 -7.861 -15.323 -21.412 760 HZ3 LYS 101 HZ3 LYS 101 -6.594 -16.409 -21.706 761 H LEU 102 H LEU 102 -10.775 -13.537 -16.669 762 HA LEU 102 HA LEU 102 -10.581 -10.604 -16.650 763 HB2 LEU 102 HB2 LEU 102 -12.947 -12.446 -16.959 764 HB3 LEU 102 HB3 LEU 102 -13.113 -10.725 -16.685 765 HG LEU 102 HG LEU 102 -11.729 -10.401 -18.806 766 HD11 LEU 102 HD11 LEU 102 -10.837 -12.653 -19.019 767 HD12 LEU 102 HD12 LEU 102 -11.820 -12.245 -20.424 768 HD13 LEU 102 HD13 LEU 102 -12.468 -13.304 -19.173 769 HD21 LEU 102 HD21 LEU 102 -14.109 -9.962 -18.689 770 HD22 LEU 102 HD22 LEU 102 -14.455 -11.668 -18.972 771 HD23 LEU 102 HD23 LEU 102 -13.695 -10.702 -20.236 772 H MET 103 H MET 103 -11.199 -13.373 -14.671 773 HA MET 103 HA MET 103 -12.694 -12.087 -12.634 774 HB2 MET 103 HB2 MET 103 -12.548 -14.574 -13.049 775 HB3 MET 103 HB3 MET 103 -10.940 -14.534 -12.344 776 HG2 MET 103 HG2 MET 103 -13.351 -13.572 -10.844 777 HG3 MET 103 HG3 MET 103 -12.877 -15.267 -10.866 778 HE1 MET 103 HE1 MET 103 -12.752 -15.312 -8.256 779 HE2 MET 103 HE2 MET 103 -13.231 -13.617 -8.186 780 HE3 MET 103 HE3 MET 103 -11.820 -14.172 -7.286 781 H ASN 104 H ASN 104 -9.249 -12.952 -12.891 782 HA ASN 104 HA ASN 104 -8.588 -11.704 -10.395 783 HB2 ASN 104 HB2 ASN 104 -7.351 -13.642 -11.474 784 HB3 ASN 104 HB3 ASN 104 -6.665 -12.475 -12.594 785 HD21 ASN 104 HD21 ASN 104 -5.063 -11.122 -11.919 786 HD22 ASN 104 HD22 ASN 104 -4.314 -11.232 -10.370 787 H GLN 105 H GLN 105 -8.841 -10.735 -13.661 788 HA GLN 105 HA GLN 105 -7.314 -8.437 -13.777 789 HB2 GLN 105 HB2 GLN 105 -8.732 -9.644 -15.573 790 HB3 GLN 105 HB3 GLN 105 -10.053 -8.637 -14.989 791 HG2 GLN 105 HG2 GLN 105 -8.516 -6.684 -15.367 792 HG3 GLN 105 HG3 GLN 105 -7.488 -7.788 -16.271 793 HE21 GLN 105 HE21 GLN 105 -10.987 -7.935 -16.176 794 HE22 GLN 105 HE22 GLN 105 -11.236 -7.523 -17.833 795 H TYR 106 H TYR 106 -10.564 -8.954 -12.496 796 HA TYR 106 HA TYR 106 -10.915 -6.141 -11.933 797 HB2 TYR 106 HB2 TYR 106 -12.789 -7.616 -12.697 798 HB3 TYR 106 HB3 TYR 106 -12.703 -8.446 -11.147 799 HD1 TYR 106 HD1 TYR 106 -13.308 -5.134 -12.701 800 HD2 TYR 106 HD2 TYR 106 -13.837 -7.590 -9.269 801 HE1 TYR 106 HE1 TYR 106 -14.823 -3.454 -11.741 802 HE2 TYR 106 HE2 TYR 106 -15.358 -5.916 -8.298 803 HH TYR 106 HH TYR 106 -15.752 -3.436 -8.519 804 H ARG 107 H ARG 107 -10.066 -9.052 -10.172 805 HA ARG 107 HA ARG 107 -10.556 -7.951 -7.580 806 HB2 ARG 107 HB2 ARG 107 -8.788 -10.299 -8.272 807 HB3 ARG 107 HB3 ARG 107 -9.535 -9.951 -6.720 808 HG2 ARG 107 HG2 ARG 107 -10.912 -10.771 -9.261 809 HG3 ARG 107 HG3 ARG 107 -10.743 -11.715 -7.780 810 HD2 ARG 107 HD2 ARG 107 -12.278 -10.403 -6.622 811 HD3 ARG 107 HD3 ARG 107 -12.122 -9.054 -7.751 812 HE ARG 107 HE ARG 107 -13.126 -11.182 -9.205 813 HH11 ARG 107 HH11 ARG 107 -14.155 -9.314 -6.418 814 HH12 ARG 107 HH12 ARG 107 -15.843 -9.446 -6.808 815 HH21 ARG 107 HH21 ARG 107 -15.353 -11.330 -9.716 816 HH22 ARG 107 HH22 ARG 107 -16.520 -10.572 -8.664 817 H GLY 108 H GLY 108 -8.892 -7.553 -5.978 818 HA2 GLY 108 HA2 GLY 108 -6.811 -6.777 -5.281 819 HA3 GLY 108 HA3 GLY 108 -6.215 -6.982 -6.922 820 H ILE 109 H ILE 109 -8.205 -4.923 -4.867 821 HA ILE 109 HA ILE 109 -8.275 -2.797 -6.810 822 HB ILE 109 HB ILE 109 -9.074 -2.750 -3.893 823 HG12 ILE 109 HG12 ILE 109 -10.372 -4.398 -5.142 824 HG13 ILE 109 HG13 ILE 109 -11.379 -3.012 -4.741 825 HG21 ILE 109 HG21 ILE 109 -10.384 -0.770 -4.492 826 HG22 ILE 109 HG22 ILE 109 -9.733 -0.840 -6.131 827 HG23 ILE 109 HG23 ILE 109 -8.660 -0.518 -4.768 828 HD11 ILE 109 HD11 ILE 109 -10.100 -3.548 -7.411 829 HD12 ILE 109 HD12 ILE 109 -11.118 -2.163 -7.012 830 HD13 ILE 109 HD13 ILE 109 -11.798 -3.790 -7.003 831 H TYR 110 H TYR 110 -6.338 -3.694 -4.054 832 HA TYR 110 HA TYR 110 -4.522 -1.517 -4.721 833 HB2 TYR 110 HB2 TYR 110 -4.373 -0.608 -2.599 834 HB3 TYR 110 HB3 TYR 110 -6.088 -0.972 -2.707 835 HD1 TYR 110 HD2 TYR 110 -6.608 -3.531 -1.839 836 HD2 TYR 110 HD1 TYR 110 -3.376 -1.056 -0.614 837 HE1 TYR 110 HE2 TYR 110 -6.427 -4.810 0.256 838 HE2 TYR 110 HE1 TYR 110 -3.184 -2.324 1.479 839 HH TYR 110 HH TYR 110 -4.336 -5.239 1.975 840 H SER 111 H SER 111 -2.365 -1.939 -4.270 841 HA SER 111 HA SER 111 -1.562 -4.390 -2.972 842 HB2 SER 111 HB2 SER 111 -0.960 -3.955 -5.915 843 HB3 SER 111 HB3 SER 111 -0.359 -5.282 -4.923 844 HG SER 111 HG SER 111 -2.962 -5.306 -4.641 845 H PHE 112 H PHE 112 0.774 -4.445 -2.665 846 HA PHE 112 HA PHE 112 2.040 -1.818 -3.112 847 HB2 PHE 112 HB2 PHE 112 2.275 -3.629 -0.704 848 HB3 PHE 112 HB3 PHE 112 3.306 -2.231 -0.990 849 HD1 PHE 112 HD2 PHE 112 2.171 0.047 -1.215 850 HD2 PHE 112 HD1 PHE 112 0.231 -3.387 0.382 851 HE1 PHE 112 HE2 PHE 112 0.508 1.500 -0.127 852 HE2 PHE 112 HE1 PHE 112 -1.434 -1.941 1.474 853 HZ PHE 112 HZ PHE 112 -1.298 0.502 1.220 854 H GLU 113 H GLU 113 4.056 -1.790 -3.895 855 HA GLU 113 HA GLU 113 5.608 -4.270 -3.976 856 HB2 GLU 113 HB2 GLU 113 4.308 -3.334 -6.223 857 HB3 GLU 113 HB3 GLU 113 5.900 -2.605 -6.379 858 HG2 GLU 113 HG2 GLU 113 5.415 -5.548 -5.978 859 HG3 GLU 113 HG3 GLU 113 5.651 -4.778 -7.545 860 H LYS 114 H LYS 114 7.911 -3.861 -4.077 861 HA LYS 114 HA LYS 114 8.437 -1.353 -2.702 862 HB2 LYS 114 HB2 LYS 114 9.985 -3.934 -2.827 863 HB3 LYS 114 HB3 LYS 114 10.499 -2.507 -1.945 864 HG2 LYS 114 HG2 LYS 114 8.546 -2.623 -0.530 865 HG3 LYS 114 HG3 LYS 114 7.928 -3.987 -1.462 866 HD2 LYS 114 HD2 LYS 114 9.937 -5.282 -0.794 867 HD3 LYS 114 HD3 LYS 114 10.426 -3.930 0.230 868 HE2 LYS 114 HE2 LYS 114 8.397 -4.151 1.538 869 HE3 LYS 114 HE3 LYS 114 7.821 -5.433 0.475 870 HZ1 LYS 114 HZ1 LYS 114 8.755 -6.336 2.500 871 HZ2 LYS 114 HZ2 LYS 114 10.231 -5.566 2.203 872 HZ3 LYS 114 HZ3 LYS 114 9.699 -6.796 1.167 873 H VAL 115 H VAL 115 8.617 0.030 -4.442 874 HA VAL 115 HA VAL 115 11.062 -0.248 -6.064 875 HB VAL 115 HB VAL 115 8.884 1.860 -6.249 876 HG11 VAL 115 HG11 VAL 115 9.841 2.367 -8.437 877 HG12 VAL 115 HG12 VAL 115 11.086 1.143 -8.183 878 HG13 VAL 115 HG13 VAL 115 11.035 2.577 -7.156 879 HG21 VAL 115 HG21 VAL 115 8.078 0.645 -8.226 880 HG22 VAL 115 HG22 VAL 115 7.949 -0.325 -6.758 881 HG23 VAL 115 HG23 VAL 115 9.250 -0.634 -7.909 882 H LYS 116 H LYS 116 12.555 1.712 -6.024 883 HA LYS 116 HA LYS 116 12.729 2.649 -3.292 884 HB2 LYS 116 HB2 LYS 116 14.731 1.988 -4.684 885 HB3 LYS 116 HB3 LYS 116 14.521 3.522 -5.534 886 HG2 LYS 116 HG2 LYS 116 14.937 4.779 -3.622 887 HG3 LYS 116 HG3 LYS 116 14.658 3.409 -2.550 888 HD2 LYS 116 HD2 LYS 116 16.705 2.355 -3.586 889 HD3 LYS 116 HD3 LYS 116 17.021 3.931 -4.325 890 HE2 LYS 116 HE2 LYS 116 16.817 3.295 -1.387 891 HE3 LYS 116 HE3 LYS 116 18.245 3.790 -2.279 892 HZ1 LYS 116 HZ1 LYS 116 15.880 5.417 -1.583 893 HZ2 LYS 116 HZ2 LYS 116 16.964 5.896 -2.796 894 HZ3 LYS 116 HZ3 LYS 116 17.508 5.715 -1.201 895 H ALA 117 H ALA 117 12.367 4.663 -2.544 896 HA ALA 117 HA ALA 117 10.393 6.208 -3.730 897 HB1 ALA 117 HB1 ALA 117 10.867 7.863 -1.987 898 HB2 ALA 117 HB2 ALA 117 12.368 7.020 -1.605 899 HB3 ALA 117 HB3 ALA 117 10.818 6.222 -1.341 900 H HIS 118 H HIS 118 10.609 7.170 -5.662 901 HA HIS 118 HA HIS 118 12.687 9.214 -5.877 902 HB2 HIS 118 HB2 HIS 118 13.432 8.554 -8.054 903 HB3 HIS 118 HB3 HIS 118 13.559 7.152 -7.001 904 HD1 HIS 118 HD1 HIS 118 12.029 8.344 -10.128 905 HD2 HIS 118 HD2 HIS 118 11.562 5.125 -7.527 906 HE1 HIS 118 HE1 HIS 118 10.723 6.617 -11.408 907 HE2 HIS 118 HE2 HIS 118 10.669 4.596 -9.900 908 H SER 119 H SER 119 9.536 8.648 -5.872 909 HA SER 119 HA SER 119 8.509 9.735 -8.228 910 HB2 SER 119 HB2 SER 119 7.402 9.795 -5.416 911 HB3 SER 119 HB3 SER 119 6.490 10.309 -6.836 912 HG SER 119 HG SER 119 7.640 7.719 -6.469 913 H GLY 120 H GLY 120 9.852 11.344 -5.415 914 HA2 GLY 120 HA2 GLY 120 10.681 13.497 -5.279 915 HA3 GLY 120 HA3 GLY 120 10.165 13.759 -6.938 916 H ASN 121 H ASN 121 8.317 12.867 -4.052 917 HA ASN 121 HA ASN 121 6.725 15.317 -4.437 918 HB2 ASN 121 HB2 ASN 121 5.383 13.351 -4.960 919 HB3 ASN 121 HB3 ASN 121 5.821 12.610 -3.424 920 HD21 ASN 121 HD21 ASN 121 3.907 15.058 -4.986 921 HD22 ASN 121 HD22 ASN 121 2.885 15.397 -3.632 922 H GLU 122 H GLU 122 6.077 16.441 -2.576 923 HA GLU 122 HA GLU 122 8.039 16.611 -0.595 924 HB2 GLU 122 HB2 GLU 122 5.245 17.734 -0.683 925 HB3 GLU 122 HB3 GLU 122 6.405 18.131 0.574 926 HG2 GLU 122 HG2 GLU 122 6.427 19.891 -1.007 927 HG3 GLU 122 HG3 GLU 122 7.928 18.989 -1.201 928 H PHE 123 H PHE 123 4.777 15.244 -0.427 929 HA PHE 123 HA PHE 123 5.006 14.502 2.320 930 HB2 PHE 123 HB2 PHE 123 3.107 13.494 0.187 931 HB3 PHE 123 HB3 PHE 123 2.947 13.192 1.913 932 HD1 PHE 123 HD1 PHE 123 2.494 15.101 3.449 933 HD2 PHE 123 HD2 PHE 123 2.356 15.501 -0.785 934 HE1 PHE 123 HE1 PHE 123 1.186 17.168 3.691 935 HE2 PHE 123 HE2 PHE 123 1.049 17.571 -0.549 936 HZ PHE 123 HZ PHE 123 0.461 18.409 1.689 937 H ASN 124 H ASN 124 5.850 13.085 -0.698 938 HA ASN 124 HA ASN 124 6.075 10.381 0.150 939 HB2 ASN 124 HB2 ASN 124 5.883 11.192 -2.241 940 HB3 ASN 124 HB3 ASN 124 7.564 11.704 -2.127 941 HD21 ASN 124 HD21 ASN 124 8.361 10.301 -3.627 942 HD22 ASN 124 HD22 ASN 124 8.369 8.573 -3.426 943 H ASP 125 H ASP 125 8.385 13.037 -0.228 944 HA ASP 125 HA ASP 125 10.649 11.538 0.614 945 HB2 ASP 125 HB2 ASP 125 10.818 13.598 -0.731 946 HB3 ASP 125 HB3 ASP 125 10.208 14.533 0.629 947 H TYR 126 H TYR 126 8.140 13.242 2.264 948 HA TYR 126 HA TYR 126 9.428 13.622 4.751 949 HB2 TYR 126 HB2 TYR 126 7.309 14.753 3.945 950 HB3 TYR 126 HB3 TYR 126 6.462 13.257 4.320 951 HD1 TYR 126 HD1 TYR 126 8.758 15.724 5.927 952 HD2 TYR 126 HD2 TYR 126 5.484 13.048 6.416 953 HE1 TYR 126 HE1 TYR 126 8.491 16.482 8.251 954 HE2 TYR 126 HE2 TYR 126 5.213 13.800 8.741 955 HH TYR 126 HH TYR 126 6.445 14.861 10.491 956 H VAL 127 H VAL 127 7.388 10.991 3.492 957 HA VAL 127 HA VAL 127 7.529 9.505 5.943 958 HB VAL 127 HB VAL 127 5.637 9.217 4.355 959 HG11 VAL 127 HG11 VAL 127 7.650 7.802 2.623 960 HG12 VAL 127 HG12 VAL 127 6.843 9.326 2.253 961 HG13 VAL 127 HG13 VAL 127 5.904 7.836 2.367 962 HG21 VAL 127 HG21 VAL 127 7.213 6.715 4.928 963 HG22 VAL 127 HG22 VAL 127 5.497 6.778 4.527 964 HG23 VAL 127 HG23 VAL 127 6.082 7.515 6.018 965 H ASP 128 H ASP 128 9.444 9.708 3.027 966 HA ASP 128 HA ASP 128 10.908 7.306 3.392 967 HB2 ASP 128 HB2 ASP 128 10.917 8.341 1.220 968 HB3 ASP 128 HB3 ASP 128 11.589 9.832 1.875 969 H MET 129 H MET 129 11.603 10.692 4.293 970 HA MET 129 HA MET 129 14.093 10.165 5.497 971 HB2 MET 129 HB2 MET 129 13.937 12.307 6.551 972 HB3 MET 129 HB3 MET 129 13.238 12.453 4.946 973 HG2 MET 129 HG2 MET 129 11.002 12.352 5.900 974 HG3 MET 129 HG3 MET 129 11.689 12.153 7.511 975 HE1 MET 129 HE1 MET 129 12.086 15.987 4.970 976 HE2 MET 129 HE2 MET 129 11.206 14.548 4.457 977 HE3 MET 129 HE3 MET 129 12.964 14.505 4.593 978 H LYS 130 H LYS 130 10.811 9.896 6.697 979 HA LYS 130 HA LYS 130 11.497 9.339 9.394 980 HB2 LYS 130 HB2 LYS 130 9.050 8.870 7.721 981 HB3 LYS 130 HB3 LYS 130 9.169 8.160 9.321 982 HG2 LYS 130 HG2 LYS 130 9.602 10.476 10.203 983 HG3 LYS 130 HG3 LYS 130 9.180 11.076 8.598 984 HD2 LYS 130 HD2 LYS 130 6.971 10.180 8.760 985 HD3 LYS 130 HD3 LYS 130 7.373 9.308 10.238 986 HE2 LYS 130 HE2 LYS 130 7.793 11.528 11.325 987 HE3 LYS 130 HE3 LYS 130 7.150 12.289 9.871 988 HZ1 LYS 130 HZ1 LYS 130 5.637 10.314 11.485 989 HZ2 LYS 130 HZ2 LYS 130 5.036 11.303 10.243 990 HZ3 LYS 130 HZ3 LYS 130 5.520 11.987 11.718 991 H ALA 131 H ALA 131 10.911 7.318 6.549 992 HA ALA 131 HA ALA 131 11.141 4.816 7.792 993 HB1 ALA 131 HB1 ALA 131 11.848 5.572 4.957 994 HB2 ALA 131 HB2 ALA 131 10.253 5.094 5.535 995 HB3 ALA 131 HB3 ALA 131 11.582 3.934 5.556 996 H LYS 132 H LYS 132 13.594 6.874 6.244 997 HA LYS 132 HA LYS 132 15.814 5.227 6.608 998 HB2 LYS 132 HB2 LYS 132 15.621 8.237 6.673 999 HB3 LYS 132 HB3 LYS 132 17.139 7.355 6.672 1000 HG2 LYS 132 HG2 LYS 132 15.973 6.241 4.531 1001 HG3 LYS 132 HG3 LYS 132 15.234 7.845 4.485 1002 HD2 LYS 132 HD2 LYS 132 17.466 8.857 4.602 1003 HD3 LYS 132 HD3 LYS 132 18.187 7.249 4.612 1004 HE2 LYS 132 HE2 LYS 132 18.353 7.937 2.395 1005 HE3 LYS 132 HE3 LYS 132 16.950 6.876 2.412 1006 HZ1 LYS 132 HZ1 LYS 132 16.655 8.994 1.154 1007 HZ2 LYS 132 HZ2 LYS 132 16.750 9.826 2.628 1008 HZ3 LYS 132 HZ3 LYS 132 15.488 8.724 2.355 1009 H SER 133 H SER 133 14.526 7.740 8.753 1010 HA SER 133 HA SER 133 16.379 7.407 10.826 1011 HB2 SER 133 HB2 SER 133 13.508 8.344 11.028 1012 HB3 SER 133 HB3 SER 133 14.791 8.655 12.197 1013 HG SER 133 HG SER 133 14.501 9.664 9.571 1014 H ALA 134 H ALA 134 13.325 5.793 10.146 1015 HA ALA 134 HA ALA 134 13.088 4.430 12.617 1016 HB1 ALA 134 HB1 ALA 134 11.955 3.684 9.921 1017 HB2 ALA 134 HB2 ALA 134 11.196 4.758 11.099 1018 HB3 ALA 134 HB3 ALA 134 11.429 3.052 11.481 1019 H LEU 135 H LEU 135 14.936 3.805 9.741 1020 HA LEU 135 HA LEU 135 15.443 1.039 10.455 1021 HB2 LEU 135 HB2 LEU 135 16.480 2.780 8.220 1022 HB3 LEU 135 HB3 LEU 135 16.942 1.103 8.448 1023 HG LEU 135 HG LEU 135 14.122 2.057 7.945 1024 HD11 LEU 135 HD11 LEU 135 15.524 2.406 5.989 1025 HD12 LEU 135 HD12 LEU 135 14.411 1.062 5.722 1026 HD13 LEU 135 HD13 LEU 135 16.108 0.743 6.092 1027 HD21 LEU 135 HD21 LEU 135 14.245 -0.007 9.247 1028 HD22 LEU 135 HD22 LEU 135 15.305 -0.717 8.031 1029 HD23 LEU 135 HD23 LEU 135 13.637 -0.316 7.620 1030 H GLY 136 H GLY 136 16.773 4.117 11.055 1031 HA2 GLY 136 HA2 GLY 136 18.388 4.326 12.832 1032 HA3 GLY 136 HA3 GLY 136 19.097 2.815 12.289 1033 H ILE 137 H ILE 137 18.190 5.110 9.890 1034 HA ILE 137 HA ILE 137 20.934 5.505 9.105 1035 HB ILE 137 HB ILE 137 18.357 6.682 8.046 1036 HG12 ILE 137 HG12 ILE 137 18.596 4.264 7.693 1037 HG13 ILE 137 HG13 ILE 137 18.687 5.143 6.169 1038 HG21 ILE 137 HG21 ILE 137 21.135 6.902 6.898 1039 HG22 ILE 137 HG22 ILE 137 20.186 8.214 7.594 1040 HG23 ILE 137 HG23 ILE 137 19.651 7.432 6.106 1041 HD11 ILE 137 HD11 ILE 137 21.018 4.039 7.721 1042 HD12 ILE 137 HD12 ILE 137 21.121 4.928 6.203 1043 HD13 ILE 137 HD13 ILE 137 20.323 3.356 6.250 1044 H ARG 138 H ARG 138 22.175 7.294 9.386 1045 HA ARG 138 HA ARG 138 22.915 9.297 10.140 1046 HB2 ARG 138 HB2 ARG 138 20.835 10.142 8.952 1047 HB3 ARG 138 HB3 ARG 138 20.028 10.112 10.512 1048 HG2 ARG 138 HG2 ARG 138 21.554 11.759 11.384 1049 HG3 ARG 138 HG3 ARG 138 22.494 11.718 9.890 1050 HD2 ARG 138 HD2 ARG 138 20.687 12.656 8.645 1051 HD3 ARG 138 HD3 ARG 138 19.587 12.487 10.011 1052 HE ARG 138 HE ARG 138 21.417 14.085 11.066 1053 HH11 ARG 138 HH11 ARG 138 19.933 14.208 7.887 1054 HH12 ARG 138 HH12 ARG 138 20.011 15.941 7.783 1055 HH21 ARG 138 HH21 ARG 138 21.463 16.374 10.947 1056 HH22 ARG 138 HH22 ARG 138 20.838 17.167 9.526 1057 H ASP 139 H ASP 139 22.206 10.908 12.259 1058 HA ASP 139 HA ASP 139 22.885 9.171 14.430 1059 HB2 ASP 139 HB2 ASP 139 23.815 11.472 14.130 1060 HB3 ASP 139 HB3 ASP 139 22.227 12.121 14.521 1061 H LEU 140 H LEU 140 21.770 9.382 16.566 1062 HA LEU 140 HA LEU 140 19.037 8.555 16.181 1063 HB2 LEU 140 HB2 LEU 140 20.761 8.719 18.646 1064 HB3 LEU 140 HB3 LEU 140 19.129 8.082 18.632 1065 HG LEU 140 HG LEU 140 21.492 6.935 17.143 1066 HD11 LEU 140 HD11 LEU 140 21.599 6.535 19.536 1067 HD12 LEU 140 HD12 LEU 140 21.217 5.043 18.677 1068 HD13 LEU 140 HD13 LEU 140 19.945 5.925 19.525 1069 HD21 LEU 140 HD21 LEU 140 19.425 6.632 15.886 1070 HD22 LEU 140 HD22 LEU 140 18.644 5.957 17.318 1071 HD23 LEU 140 HD23 LEU 140 19.987 5.102 16.558 1072 H GLU 141 H GLU 141 19.830 11.472 15.932 1073 HA GLU 141 HA GLU 141 18.635 12.948 18.007 1074 HB2 GLU 141 HB2 GLU 141 18.734 13.642 15.069 1075 HB3 GLU 141 HB3 GLU 141 18.483 14.766 16.396 1076 HG2 GLU 141 HG2 GLU 141 20.724 14.328 17.219 1077 HG3 GLU 141 HG3 GLU 141 20.980 13.157 15.925 1078 H HIS 142 H HIS 142 17.310 11.135 15.371 1079 HA HIS 142 HA HIS 142 14.635 12.195 15.684 1080 HB2 HIS 142 HB2 HIS 142 15.632 9.787 14.136 1081 HB3 HIS 142 HB3 HIS 142 13.992 10.421 14.078 1082 HD1 HIS 142 HD1 HIS 142 13.643 12.690 12.813 1083 HD2 HIS 142 HD2 HIS 142 17.476 11.092 12.549 1084 HE1 HIS 142 HE1 HIS 142 14.766 13.921 10.932 1085 HE2 HIS 142 HE2 HIS 142 16.977 12.756 10.632 1086 H HIS 143 H HIS 143 13.032 11.295 16.911 1087 HA HIS 143 HA HIS 143 13.812 9.566 19.022 1088 HB2 HIS 143 HB2 HIS 143 11.861 11.313 18.918 1089 HB3 HIS 143 HB3 HIS 143 10.928 9.958 18.287 1090 HD1 HIS 143 HD1 HIS 143 9.645 8.837 20.094 1091 HD2 HIS 143 HD2 HIS 143 13.271 10.355 21.464 1092 HE1 HIS 143 HE1 HIS 143 9.736 8.272 22.544 1093 HE2 HIS 143 HE2 HIS 143 11.924 9.224 23.364 1094 H HIS 144 H HIS 144 14.330 7.523 18.671 1095 HA HIS 144 HA HIS 144 13.071 6.072 16.476 1096 HB2 HIS 144 HB2 HIS 144 15.594 6.165 16.842 1097 HB3 HIS 144 HB3 HIS 144 15.333 5.119 18.235 1098 HD1 HIS 144 HD1 HIS 144 15.381 2.671 17.767 1099 HD2 HIS 144 HD2 HIS 144 14.652 4.917 14.339 1100 HE1 HIS 144 HE1 HIS 144 15.364 1.027 15.867 1101 HE2 HIS 144 HE2 HIS 144 14.815 2.386 13.817 1102 H HIS 145 H HIS 145 11.126 5.312 17.118 1103 HA HIS 145 HA HIS 145 10.456 4.479 19.698 1104 HB2 HIS 145 HB2 HIS 145 8.454 3.551 18.780 1105 HB3 HIS 145 HB3 HIS 145 8.823 4.998 17.854 1106 HD1 HIS 145 HD1 HIS 145 9.559 4.655 15.364 1107 HD2 HIS 145 HD2 HIS 145 8.452 1.167 17.350 1108 HE1 HIS 145 HE1 HIS 145 9.201 2.926 13.565 1109 HE2 HIS 145 HE2 HIS 145 8.372 0.869 14.774 1110 H HIS 146 H HIS 146 10.637 2.640 20.795 1111 HA HIS 146 HA HIS 146 12.348 0.582 19.622 1112 HB2 HIS 146 HB2 HIS 146 11.361 0.810 22.479 1113 HB3 HIS 146 HB3 HIS 146 12.648 -0.236 21.888 1114 HD1 HIS 146 HD1 HIS 146 14.959 0.888 21.386 1115 HD2 HIS 146 HD2 HIS 146 12.082 3.453 22.950 1116 HE1 HIS 146 HE1 HIS 146 16.196 2.968 22.056 1117 HE2 HIS 146 HE2 HIS 146 14.477 4.390 23.219 1118 H HIS 147 H HIS 147 9.401 0.736 21.589 1119 HA HIS 147 HA HIS 147 7.914 -0.814 19.747 1120 HB2 HIS 147 HB2 HIS 147 7.372 -2.693 21.365 1121 HB3 HIS 147 HB3 HIS 147 8.958 -2.762 20.616 1122 HD1 HIS 147 HD1 HIS 147 11.017 -2.445 22.161 1123 HD2 HIS 147 HD2 HIS 147 7.358 -2.381 24.140 1124 HE1 HIS 147 HE1 HIS 147 11.561 -2.656 24.606 1125 HE2 HIS 147 HE2 HIS 147 9.329 -2.839 25.752 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -8.051 17.695 -5.254 2 H2 MET 1 H2 MET 1 -7.784 19.183 -6.029 3 H3 MET 1 H3 MET 1 -8.746 18.002 -6.773 4 HA MET 1 HA MET 1 -9.379 19.360 -4.225 5 HB2 MET 1 HB2 MET 1 -10.398 19.807 -7.033 6 HB3 MET 1 HB3 MET 1 -11.262 20.368 -5.605 7 HG2 MET 1 HG2 MET 1 -9.350 21.727 -4.968 8 HG3 MET 1 HG3 MET 1 -8.454 21.147 -6.369 9 HE1 MET 1 HE1 MET 1 -9.241 24.932 -7.156 10 HE2 MET 1 HE2 MET 1 -7.968 23.729 -6.955 11 HE3 MET 1 HE3 MET 1 -8.933 24.230 -5.567 12 H ASP 2 H ASP 2 -10.522 17.233 -6.855 13 HA ASP 2 HA ASP 2 -12.477 16.088 -5.015 14 HB2 ASP 2 HB2 ASP 2 -13.134 16.415 -7.381 15 HB3 ASP 2 HB3 ASP 2 -11.854 15.310 -7.873 16 H ASP 3 H ASP 3 -12.186 14.242 -3.944 17 HA ASP 3 HA ASP 3 -9.636 12.826 -4.379 18 HB2 ASP 3 HB2 ASP 3 -9.577 12.393 -1.987 19 HB3 ASP 3 HB3 ASP 3 -9.750 14.122 -2.263 20 H ARG 4 H ARG 4 -12.602 12.428 -5.250 21 HA ARG 4 HA ARG 4 -13.034 9.791 -4.009 22 HB2 ARG 4 HB2 ARG 4 -15.090 11.560 -5.345 23 HB3 ARG 4 HB3 ARG 4 -15.396 10.092 -4.420 24 HG2 ARG 4 HG2 ARG 4 -14.630 11.160 -2.397 25 HG3 ARG 4 HG3 ARG 4 -14.184 12.609 -3.298 26 HD2 ARG 4 HD2 ARG 4 -16.256 13.078 -2.277 27 HD3 ARG 4 HD3 ARG 4 -16.598 12.786 -3.981 28 HE ARG 4 HE ARG 4 -17.017 10.723 -1.914 29 HH11 ARG 4 HH11 ARG 4 -18.037 12.473 -4.764 30 HH12 ARG 4 HH12 ARG 4 -19.585 11.688 -4.856 31 HH21 ARG 4 HH21 ARG 4 -19.040 9.665 -2.032 32 HH22 ARG 4 HH22 ARG 4 -20.154 10.082 -3.306 33 H THR 5 H THR 5 -11.771 11.035 -6.697 34 HA THR 5 HA THR 5 -12.890 8.968 -8.458 35 HB THR 5 HB THR 5 -11.428 10.385 -10.177 36 HG1 THR 5 HG1 THR 5 -12.160 12.254 -8.132 37 HG21 THR 5 HG21 THR 5 -13.451 11.634 -10.742 38 HG22 THR 5 HG22 THR 5 -14.137 11.250 -9.163 39 HG23 THR 5 HG23 THR 5 -13.839 9.962 -10.330 40 H GLU 6 H GLU 6 -11.773 7.165 -8.117 41 HA GLU 6 HA GLU 6 -10.104 5.674 -7.856 42 HB2 GLU 6 HB2 GLU 6 -8.512 7.705 -9.431 43 HB3 GLU 6 HB3 GLU 6 -7.970 6.071 -9.070 44 HG2 GLU 6 HG2 GLU 6 -10.132 5.312 -10.226 45 HG3 GLU 6 HG3 GLU 6 -10.198 6.952 -10.866 46 H TYR 7 H TYR 7 -7.299 6.055 -7.378 47 HA TYR 7 HA TYR 7 -7.523 7.438 -4.777 48 HB2 TYR 7 HB2 TYR 7 -6.099 4.872 -5.454 49 HB3 TYR 7 HB3 TYR 7 -5.773 5.777 -3.983 50 HD1 TYR 7 HD1 TYR 7 -7.586 6.065 -2.294 51 HD2 TYR 7 HD2 TYR 7 -8.003 3.477 -5.648 52 HE1 TYR 7 HE1 TYR 7 -9.432 4.907 -1.161 53 HE2 TYR 7 HE2 TYR 7 -9.856 2.316 -4.524 54 HH TYR 7 HH TYR 7 -11.412 3.527 -1.804 55 H ASP 8 H ASP 8 -5.569 8.250 -3.866 56 HA ASP 8 HA ASP 8 -3.310 8.539 -5.704 57 HB2 ASP 8 HB2 ASP 8 -2.825 10.730 -4.599 58 HB3 ASP 8 HB3 ASP 8 -4.324 10.723 -5.514 59 H VAL 9 H VAL 9 -1.695 7.313 -4.968 60 HA VAL 9 HA VAL 9 -1.282 7.111 -2.056 61 HB VAL 9 HB VAL 9 -0.951 4.771 -3.942 62 HG11 VAL 9 HG11 VAL 9 -0.936 4.984 -0.931 63 HG12 VAL 9 HG12 VAL 9 0.448 4.654 -1.974 64 HG13 VAL 9 HG13 VAL 9 -0.857 3.474 -1.841 65 HG21 VAL 9 HG21 VAL 9 -3.320 5.335 -3.821 66 HG22 VAL 9 HG22 VAL 9 -3.244 5.340 -2.060 67 HG23 VAL 9 HG23 VAL 9 -2.993 3.837 -2.949 68 H TYR 10 H TYR 10 0.850 7.284 -1.421 69 HA TYR 10 HA TYR 10 2.873 7.045 -3.538 70 HB2 TYR 10 HB2 TYR 10 4.087 8.935 -2.748 71 HB3 TYR 10 HB3 TYR 10 2.417 9.448 -2.927 72 HD1 TYR 10 HD2 TYR 10 1.007 9.772 -0.885 73 HD2 TYR 10 HD1 TYR 10 5.182 8.995 -0.640 74 HE1 TYR 10 HE2 TYR 10 1.024 10.611 1.427 75 HE2 TYR 10 HE1 TYR 10 5.210 9.831 1.669 76 HH TYR 10 HH TYR 10 2.377 10.404 3.458 77 H THR 11 H THR 11 4.763 6.078 -3.009 78 HA THR 11 HA THR 11 5.388 5.448 -0.240 79 HB THR 11 HB THR 11 4.018 3.528 -1.043 80 HG1 THR 11 HG1 THR 11 5.901 3.284 0.432 81 HG21 THR 11 HG21 THR 11 6.236 3.175 -3.059 82 HG22 THR 11 HG22 THR 11 4.562 3.603 -3.411 83 HG23 THR 11 HG23 THR 11 4.949 2.015 -2.746 84 H ASP 12 H ASP 12 6.338 7.089 -2.528 85 HA ASP 12 HA ASP 12 8.625 5.944 -3.736 86 HB2 ASP 12 HB2 ASP 12 7.294 7.964 -4.530 87 HB3 ASP 12 HB3 ASP 12 8.129 8.892 -3.290 88 H GLY 13 H GLY 13 10.255 5.211 -2.506 89 HA2 GLY 13 HA2 GLY 13 11.556 7.083 -0.684 90 HA3 GLY 13 HA3 GLY 13 10.989 5.564 -0.007 91 H SER 14 H SER 14 13.531 5.858 0.348 92 HA SER 14 HA SER 14 14.793 4.215 -1.730 93 HB2 SER 14 HB2 SER 14 16.123 6.550 -0.335 94 HB3 SER 14 HB3 SER 14 16.837 5.526 -1.581 95 HG SER 14 HG SER 14 14.556 6.460 -2.549 96 H TYR 15 H TYR 15 15.784 2.462 -0.942 97 HA TYR 15 HA TYR 15 16.061 2.077 1.901 98 HB2 TYR 15 HB2 TYR 15 16.948 -0.148 1.269 99 HB3 TYR 15 HB3 TYR 15 15.402 0.181 0.498 100 HD1 TYR 15 HD1 TYR 15 15.314 0.669 -1.929 101 HD2 TYR 15 HD2 TYR 15 18.944 -0.446 -0.016 102 HE1 TYR 15 HE1 TYR 15 16.302 0.149 -4.118 103 HE2 TYR 15 HE2 TYR 15 19.947 -0.959 -2.202 104 HH TYR 15 HH TYR 15 19.200 -1.572 -4.471 105 H VAL 16 H VAL 16 18.172 1.478 2.879 106 HA VAL 16 HA VAL 16 20.367 2.914 1.541 107 HB VAL 16 HB VAL 16 19.554 4.285 3.371 108 HG11 VAL 16 HG11 VAL 16 19.702 3.532 5.704 109 HG12 VAL 16 HG12 VAL 16 20.125 1.916 5.140 110 HG13 VAL 16 HG13 VAL 16 18.538 2.591 4.770 111 HG21 VAL 16 HG21 VAL 16 21.640 4.546 4.631 112 HG22 VAL 16 HG22 VAL 16 21.936 4.330 2.906 113 HG23 VAL 16 HG23 VAL 16 22.196 2.988 4.020 114 H ASN 17 H ASN 17 21.928 1.611 0.995 115 HA ASN 17 HA ASN 17 23.475 -0.049 0.986 116 HB2 ASN 17 HB2 ASN 17 23.212 0.407 3.954 117 HB3 ASN 17 HB3 ASN 17 24.403 -0.691 3.266 118 HD21 ASN 17 HD21 ASN 17 26.020 0.169 1.905 119 HD22 ASN 17 HD22 ASN 17 26.490 1.827 2.030 120 H GLY 18 H GLY 18 20.658 -0.844 0.969 121 HA2 GLY 18 HA2 GLY 18 19.882 -3.031 0.525 122 HA3 GLY 18 HA3 GLY 18 21.144 -3.665 1.571 123 H GLN 19 H GLN 19 20.224 -1.433 3.535 124 HA GLN 19 HA GLN 19 18.346 -3.084 4.966 125 HB2 GLN 19 HB2 GLN 19 19.420 -0.308 5.512 126 HB3 GLN 19 HB3 GLN 19 18.345 -1.178 6.596 127 HG2 GLN 19 HG2 GLN 19 21.051 -2.176 5.745 128 HG3 GLN 19 HG3 GLN 19 20.746 -1.268 7.226 129 HE21 GLN 19 HE21 GLN 19 20.323 -4.293 5.576 130 HE22 GLN 19 HE22 GLN 19 19.823 -5.205 6.954 131 H TYR 20 H TYR 20 16.199 -2.980 4.841 132 HA TYR 20 HA TYR 20 14.984 -0.548 3.752 133 HB2 TYR 20 HB2 TYR 20 13.692 -1.679 2.160 134 HB3 TYR 20 HB3 TYR 20 15.265 -2.451 2.018 135 HD1 TYR 20 HD1 TYR 20 15.594 -4.708 3.195 136 HD2 TYR 20 HD2 TYR 20 11.771 -2.927 2.615 137 HE1 TYR 20 HE1 TYR 20 14.525 -6.898 3.541 138 HE2 TYR 20 HE2 TYR 20 10.692 -5.109 2.962 139 HH TYR 20 HH TYR 20 12.318 -7.796 4.243 140 H ALA 21 H ALA 21 12.973 -0.065 4.509 141 HA ALA 21 HA ALA 21 11.662 -1.972 6.308 142 HB1 ALA 21 HB1 ALA 21 11.999 0.987 6.841 143 HB2 ALA 21 HB2 ALA 21 12.781 -0.321 7.729 144 HB3 ALA 21 HB3 ALA 21 11.031 -0.126 7.807 145 H TRP 22 H TRP 22 9.452 -2.064 5.990 146 HA TRP 22 HA TRP 22 8.528 -0.704 3.612 147 HB2 TRP 22 HB2 TRP 22 6.529 -2.113 3.791 148 HB3 TRP 22 HB3 TRP 22 7.992 -3.082 3.872 149 HD1 TRP 22 HD1 TRP 22 8.689 -3.916 6.449 150 HE1 TRP 22 HE1 TRP 22 7.143 -4.633 8.376 151 HE3 TRP 22 HE3 TRP 22 4.322 -1.811 4.809 152 HZ2 TRP 22 HZ2 TRP 22 4.431 -4.358 9.095 153 HZ3 TRP 22 HZ3 TRP 22 2.293 -2.095 6.178 154 HH2 TRP 22 HH2 TRP 22 2.350 -3.345 8.276 155 H ALA 23 H ALA 23 7.261 1.004 3.559 156 HA ALA 23 HA ALA 23 5.475 1.726 5.649 157 HB1 ALA 23 HB1 ALA 23 6.554 3.828 6.303 158 HB2 ALA 23 HB2 ALA 23 7.956 3.418 5.313 159 HB3 ALA 23 HB3 ALA 23 7.555 2.438 6.724 160 H TYR 24 H TYR 24 3.902 2.916 4.809 161 HA TYR 24 HA TYR 24 4.511 4.828 2.715 162 HB2 TYR 24 HB2 TYR 24 2.498 4.026 1.383 163 HB3 TYR 24 HB3 TYR 24 3.933 3.015 1.306 164 HD1 TYR 24 HD2 TYR 24 0.483 3.255 2.516 165 HD2 TYR 24 HD1 TYR 24 3.948 0.800 2.299 166 HE1 TYR 24 HE2 TYR 24 -0.864 1.303 3.167 167 HE2 TYR 24 HE1 TYR 24 2.612 -1.160 2.947 168 HH TYR 24 HH TYR 24 -0.807 -1.118 3.009 169 H ALA 25 H ALA 25 2.208 5.901 2.146 170 HA ALA 25 HA ALA 25 0.658 6.167 4.600 171 HB1 ALA 25 HB1 ALA 25 1.860 8.533 3.165 172 HB2 ALA 25 HB2 ALA 25 2.385 7.906 4.729 173 HB3 ALA 25 HB3 ALA 25 0.772 8.596 4.553 174 H PHE 26 H PHE 26 -1.450 6.425 4.227 175 HA PHE 26 HA PHE 26 -2.352 6.463 1.474 176 HB2 PHE 26 HB2 PHE 26 -3.875 6.289 4.086 177 HB3 PHE 26 HB3 PHE 26 -4.629 6.252 2.497 178 HD1 PHE 26 HD2 PHE 26 -3.997 4.373 0.923 179 HD2 PHE 26 HD1 PHE 26 -3.056 4.331 5.072 180 HE1 PHE 26 HE2 PHE 26 -3.713 1.931 0.829 181 HE2 PHE 26 HE1 PHE 26 -2.763 1.889 4.985 182 HZ PHE 26 HZ PHE 26 -3.095 0.687 2.860 183 H VAL 27 H VAL 27 -1.974 8.407 0.683 184 HA VAL 27 HA VAL 27 -2.870 10.788 2.080 185 HB VAL 27 HB VAL 27 -0.689 10.793 0.889 186 HG11 VAL 27 HG11 VAL 27 -2.346 10.547 -1.610 187 HG12 VAL 27 HG12 VAL 27 -1.247 9.329 -0.964 188 HG13 VAL 27 HG13 VAL 27 -0.612 10.868 -1.544 189 HG21 VAL 27 HG21 VAL 27 -2.720 12.700 -0.253 190 HG22 VAL 27 HG22 VAL 27 -0.971 12.922 -0.278 191 HG23 VAL 27 HG23 VAL 27 -1.834 12.897 1.260 192 H LYS 28 H LYS 28 -4.530 12.120 1.292 193 HA LYS 28 HA LYS 28 -6.055 11.110 -0.988 194 HB2 LYS 28 HB2 LYS 28 -7.039 10.157 1.086 195 HB3 LYS 28 HB3 LYS 28 -7.301 11.788 1.683 196 HG2 LYS 28 HG2 LYS 28 -9.322 10.734 0.743 197 HG3 LYS 28 HG3 LYS 28 -8.875 12.243 -0.049 198 HD2 LYS 28 HD2 LYS 28 -9.561 10.608 -1.700 199 HD3 LYS 28 HD3 LYS 28 -7.847 10.965 -1.881 200 HE2 LYS 28 HE2 LYS 28 -8.646 8.646 -0.194 201 HE3 LYS 28 HE3 LYS 28 -8.765 8.491 -1.946 202 HZ1 LYS 28 HZ1 LYS 28 -6.399 9.231 -2.050 203 HZ2 LYS 28 HZ2 LYS 28 -6.629 7.731 -1.296 204 HZ3 LYS 28 HZ3 LYS 28 -6.332 9.105 -0.362 205 H ASP 29 H ASP 29 -5.862 12.719 -2.326 206 HA ASP 29 HA ASP 29 -6.086 14.750 -3.303 207 HB2 ASP 29 HB2 ASP 29 -8.321 14.769 -2.166 208 HB3 ASP 29 HB3 ASP 29 -7.578 15.623 -0.818 209 H GLY 30 H GLY 30 -3.936 14.017 -1.383 210 HA2 GLY 30 HA2 GLY 30 -1.891 15.202 -1.163 211 HA3 GLY 30 HA3 GLY 30 -2.793 16.709 -1.180 212 H LYS 31 H LYS 31 -4.553 14.902 0.833 213 HA LYS 31 HA LYS 31 -3.095 15.855 3.200 214 HB2 LYS 31 HB2 LYS 31 -5.971 14.991 2.872 215 HB3 LYS 31 HB3 LYS 31 -5.245 15.402 4.411 216 HG2 LYS 31 HG2 LYS 31 -6.543 17.259 3.617 217 HG3 LYS 31 HG3 LYS 31 -4.834 17.688 3.580 218 HD2 LYS 31 HD2 LYS 31 -4.726 17.510 1.244 219 HD3 LYS 31 HD3 LYS 31 -6.242 16.613 1.164 220 HE2 LYS 31 HE2 LYS 31 -7.487 18.592 1.783 221 HE3 LYS 31 HE3 LYS 31 -5.991 19.491 2.035 222 HZ1 LYS 31 HZ1 LYS 31 -6.942 18.404 -0.568 223 HZ2 LYS 31 HZ2 LYS 31 -5.503 19.274 -0.317 224 HZ3 LYS 31 HZ3 LYS 31 -7.003 20.030 -0.081 225 H VAL 32 H VAL 32 -2.500 14.479 4.813 226 HA VAL 32 HA VAL 32 -2.520 11.630 4.083 227 HB VAL 32 HB VAL 32 -0.828 13.031 6.167 228 HG11 VAL 32 HG11 VAL 32 0.494 10.963 6.151 229 HG12 VAL 32 HG12 VAL 32 -0.658 10.240 5.028 230 HG13 VAL 32 HG13 VAL 32 -1.168 10.672 6.660 231 HG21 VAL 32 HG21 VAL 32 1.012 12.790 4.572 232 HG22 VAL 32 HG22 VAL 32 -0.279 13.797 3.919 233 HG23 VAL 32 HG23 VAL 32 -0.105 12.126 3.380 234 H HIS 33 H HIS 33 -4.137 10.492 4.968 235 HA HIS 33 HA HIS 33 -5.105 11.323 7.618 236 HB2 HIS 33 HB2 HIS 33 -6.656 11.158 5.524 237 HB3 HIS 33 HB3 HIS 33 -6.602 9.426 5.835 238 HD1 HIS 33 HD1 HIS 33 -8.770 8.841 6.943 239 HD2 HIS 33 HD2 HIS 33 -7.188 12.404 8.377 240 HE1 HIS 33 HE1 HIS 33 -10.325 9.585 8.762 241 HE2 HIS 33 HE2 HIS 33 -9.487 11.868 9.423 242 H TYR 34 H TYR 34 -3.586 8.751 5.888 243 HA TYR 34 HA TYR 34 -3.490 7.161 8.359 244 HB2 TYR 34 HB2 TYR 34 -3.951 5.919 5.634 245 HB3 TYR 34 HB3 TYR 34 -3.926 5.095 7.187 246 HD1 TYR 34 HD2 TYR 34 -5.782 5.718 8.867 247 HD2 TYR 34 HD1 TYR 34 -5.955 6.673 4.729 248 HE1 TYR 34 HE2 TYR 34 -8.219 6.000 9.042 249 HE2 TYR 34 HE1 TYR 34 -8.391 6.964 4.890 250 HH TYR 34 HH TYR 34 -10.254 6.194 6.364 251 H GLU 35 H GLU 35 -1.567 5.922 8.580 252 HA GLU 35 HA GLU 35 0.341 5.787 6.441 253 HB2 GLU 35 HB2 GLU 35 2.144 6.985 7.678 254 HB3 GLU 35 HB3 GLU 35 0.852 8.036 7.109 255 HG2 GLU 35 HG2 GLU 35 0.233 8.619 9.189 256 HG3 GLU 35 HG3 GLU 35 0.511 7.003 9.839 257 H ASP 36 H ASP 36 2.151 4.455 6.934 258 HA ASP 36 HA ASP 36 2.038 3.026 9.506 259 HB2 ASP 36 HB2 ASP 36 2.247 0.890 8.445 260 HB3 ASP 36 HB3 ASP 36 0.913 1.718 7.644 261 H ALA 37 H ALA 37 4.070 1.581 9.679 262 HA ALA 37 HA ALA 37 6.359 1.979 8.149 263 HB1 ALA 37 HB1 ALA 37 6.330 4.269 9.029 264 HB2 ALA 37 HB2 ALA 37 7.741 3.370 9.591 265 HB3 ALA 37 HB3 ALA 37 6.372 3.632 10.672 266 H ASP 38 H ASP 38 7.334 0.069 8.483 267 HA ASP 38 HA ASP 38 8.212 -0.621 11.131 268 HB2 ASP 38 HB2 ASP 38 5.842 -1.504 11.030 269 HB3 ASP 38 HB3 ASP 38 6.385 -2.599 9.762 270 H VAL 39 H VAL 39 9.490 -2.710 11.076 271 HA VAL 39 HA VAL 39 11.020 -2.791 8.602 272 HB VAL 39 HB VAL 39 12.608 -4.190 9.927 273 HG11 VAL 39 HG11 VAL 39 11.905 -1.506 11.107 274 HG12 VAL 39 HG12 VAL 39 12.954 -1.796 9.717 275 HG13 VAL 39 HG13 VAL 39 13.440 -2.348 11.320 276 HG21 VAL 39 HG21 VAL 39 10.760 -3.526 12.217 277 HG22 VAL 39 HG22 VAL 39 12.347 -4.283 12.364 278 HG23 VAL 39 HG23 VAL 39 11.040 -5.129 11.535 279 H GLY 40 H GLY 40 11.978 -5.216 8.332 280 HA2 GLY 40 HA2 GLY 40 9.748 -6.745 7.418 281 HA3 GLY 40 HA3 GLY 40 11.435 -7.235 7.363 282 H LYS 41 H LYS 41 8.553 -7.114 9.369 283 HA LYS 41 HA LYS 41 9.751 -9.112 11.149 284 HB2 LYS 41 HB2 LYS 41 7.298 -7.396 11.564 285 HB3 LYS 41 HB3 LYS 41 7.956 -8.543 12.725 286 HG2 LYS 41 HG2 LYS 41 10.128 -6.999 12.252 287 HG3 LYS 41 HG3 LYS 41 8.828 -5.824 12.047 288 HD2 LYS 41 HD2 LYS 41 9.283 -7.588 14.451 289 HD3 LYS 41 HD3 LYS 41 9.597 -5.856 14.352 290 HE2 LYS 41 HE2 LYS 41 6.885 -7.103 13.965 291 HE3 LYS 41 HE3 LYS 41 7.471 -6.475 15.499 292 HZ1 LYS 41 HZ1 LYS 41 7.138 -4.896 13.000 293 HZ2 LYS 41 HZ2 LYS 41 7.693 -4.294 14.484 294 HZ3 LYS 41 HZ3 LYS 41 6.099 -4.859 14.343 295 H ASN 42 H ASN 42 7.436 -10.223 12.146 296 HA ASN 42 HA ASN 42 6.749 -11.925 9.863 297 HB2 ASN 42 HB2 ASN 42 6.384 -12.378 12.837 298 HB3 ASN 42 HB3 ASN 42 6.007 -13.547 11.575 299 HD21 ASN 42 HD21 ASN 42 7.665 -14.611 10.525 300 HD22 ASN 42 HD22 ASN 42 9.299 -14.586 11.106 301 HA PRO 43 HA PRO 43 2.557 -10.688 9.312 302 HB2 PRO 43 HB2 PRO 43 1.822 -13.545 9.769 303 HB3 PRO 43 HB3 PRO 43 1.390 -12.469 8.433 304 HG2 PRO 43 HG2 PRO 43 3.252 -14.323 8.097 305 HG3 PRO 43 HG3 PRO 43 3.458 -12.707 7.400 306 HD2 PRO 43 HD2 PRO 43 4.748 -13.908 9.810 307 HD3 PRO 43 HD3 PRO 43 5.426 -12.799 8.600 308 H ALA 44 H ALA 44 3.268 -12.770 12.049 309 HA ALA 44 HA ALA 44 0.924 -12.463 13.530 310 HB1 ALA 44 HB1 ALA 44 2.270 -13.013 15.485 311 HB2 ALA 44 HB2 ALA 44 3.747 -12.691 14.578 312 HB3 ALA 44 HB3 ALA 44 2.707 -14.039 14.120 313 H ALA 45 H ALA 45 3.797 -10.417 13.338 314 HA ALA 45 HA ALA 45 2.650 -8.448 15.143 315 HB1 ALA 45 HB1 ALA 45 5.051 -8.978 15.238 316 HB2 ALA 45 HB2 ALA 45 4.756 -7.277 14.877 317 HB3 ALA 45 HB3 ALA 45 5.232 -8.381 13.587 318 H ALA 46 H ALA 46 3.128 -8.998 11.745 319 HA ALA 46 HA ALA 46 2.670 -6.385 10.794 320 HB1 ALA 46 HB1 ALA 46 2.237 -7.443 8.633 321 HB2 ALA 46 HB2 ALA 46 2.158 -9.019 9.420 322 HB3 ALA 46 HB3 ALA 46 3.672 -8.115 9.407 323 H THR 47 H THR 47 0.571 -8.670 12.187 324 HA THR 47 HA THR 47 -1.879 -7.980 11.010 325 HB THR 47 HB THR 47 -1.337 -8.835 13.866 326 HG1 THR 47 HG1 THR 47 -0.665 -10.292 12.110 327 HG21 THR 47 HG21 THR 47 -3.894 -8.930 12.262 328 HG22 THR 47 HG22 THR 47 -3.559 -7.828 13.597 329 HG23 THR 47 HG23 THR 47 -3.669 -9.563 13.891 330 H MET 48 H MET 48 -0.063 -6.542 13.684 331 HA MET 48 HA MET 48 0.020 -4.440 14.482 332 HB2 MET 48 HB2 MET 48 -1.857 -3.822 12.201 333 HB3 MET 48 HB3 MET 48 -1.201 -2.604 13.288 334 HG2 MET 48 HG2 MET 48 0.403 -4.414 11.497 335 HG3 MET 48 HG3 MET 48 0.044 -2.715 11.198 336 HE1 MET 48 HE1 MET 48 2.675 -2.282 10.850 337 HE2 MET 48 HE2 MET 48 2.974 -3.990 11.168 338 HE3 MET 48 HE3 MET 48 3.895 -2.758 12.030 339 H ARG 49 H ARG 49 -0.770 -4.205 16.420 340 HA ARG 49 HA ARG 49 -3.647 -4.487 16.860 341 HB2 ARG 49 HB2 ARG 49 -3.080 -4.530 19.259 342 HB3 ARG 49 HB3 ARG 49 -2.222 -5.766 18.348 343 HG2 ARG 49 HG2 ARG 49 -0.219 -4.359 18.347 344 HG3 ARG 49 HG3 ARG 49 -1.087 -3.139 19.284 345 HD2 ARG 49 HD2 ARG 49 -1.441 -4.808 21.066 346 HD3 ARG 49 HD3 ARG 49 -0.489 -5.969 20.141 347 HE ARG 49 HE ARG 49 0.804 -3.444 20.781 348 HH11 ARG 49 HH11 ARG 49 0.364 -6.834 21.559 349 HH12 ARG 49 HH12 ARG 49 1.805 -6.927 22.531 350 HH21 ARG 49 HH21 ARG 49 2.683 -3.558 22.053 351 HH22 ARG 49 HH22 ARG 49 3.108 -5.051 22.843 352 H ASN 50 H ASN 50 -1.603 -2.068 16.069 353 HA ASN 50 HA ASN 50 -3.299 -0.069 17.419 354 HB2 ASN 50 HB2 ASN 50 -1.071 0.081 18.363 355 HB3 ASN 50 HB3 ASN 50 -0.350 0.125 16.759 356 HD21 ASN 50 HD21 ASN 50 -2.055 1.918 19.183 357 HD22 ASN 50 HD22 ASN 50 -1.877 3.478 18.449 358 H VAL 51 H VAL 51 -1.047 -0.416 14.687 359 HA VAL 51 HA VAL 51 -2.064 1.777 13.237 360 HB VAL 51 HB VAL 51 -0.536 -0.594 12.150 361 HG11 VAL 51 HG11 VAL 51 -0.823 2.222 11.115 362 HG12 VAL 51 HG12 VAL 51 -1.504 0.765 10.392 363 HG13 VAL 51 HG13 VAL 51 0.245 0.989 10.442 364 HG21 VAL 51 HG21 VAL 51 1.473 0.793 12.515 365 HG22 VAL 51 HG22 VAL 51 0.668 0.343 14.017 366 HG23 VAL 51 HG23 VAL 51 0.475 1.972 13.367 367 H ALA 52 H ALA 52 -3.030 -1.563 13.387 368 HA ALA 52 HA ALA 52 -4.319 -1.758 10.890 369 HB1 ALA 52 HB1 ALA 52 -4.873 -3.261 13.436 370 HB2 ALA 52 HB2 ALA 52 -3.732 -3.721 12.172 371 HB3 ALA 52 HB3 ALA 52 -5.463 -3.702 11.835 372 H GLY 53 H GLY 53 -5.248 -0.186 13.817 373 HA2 GLY 53 HA2 GLY 53 -8.038 -0.121 13.511 374 HA3 GLY 53 HA3 GLY 53 -7.075 1.133 14.284 375 H GLU 54 H GLU 54 -5.524 2.014 12.232 376 HA GLU 54 HA GLU 54 -7.308 3.628 10.705 377 HB2 GLU 54 HB2 GLU 54 -4.320 3.190 10.534 378 HB3 GLU 54 HB3 GLU 54 -5.184 4.345 9.533 379 HG2 GLU 54 HG2 GLU 54 -4.133 5.466 11.388 380 HG3 GLU 54 HG3 GLU 54 -5.884 5.557 11.542 381 H ILE 55 H ILE 55 -5.395 0.757 10.080 382 HA ILE 55 HA ILE 55 -5.687 0.699 7.274 383 HB ILE 55 HB ILE 55 -5.231 -1.619 9.169 384 HG12 ILE 55 HG12 ILE 55 -3.509 0.104 9.394 385 HG13 ILE 55 HG13 ILE 55 -2.851 -1.330 8.615 386 HG21 ILE 55 HG21 ILE 55 -4.266 -2.757 7.214 387 HG22 ILE 55 HG22 ILE 55 -4.769 -1.406 6.197 388 HG23 ILE 55 HG23 ILE 55 -5.981 -2.401 7.004 389 HD11 ILE 55 HD11 ILE 55 -3.047 -0.219 6.441 390 HD12 ILE 55 HD12 ILE 55 -2.020 0.677 7.559 391 HD13 ILE 55 HD13 ILE 55 -3.668 1.222 7.244 392 H ALA 56 H ALA 56 -7.616 -0.678 9.895 393 HA ALA 56 HA ALA 56 -9.328 -2.273 8.361 394 HB1 ALA 56 HB1 ALA 56 -9.166 -2.413 10.802 395 HB2 ALA 56 HB2 ALA 56 -10.836 -2.213 10.269 396 HB3 ALA 56 HB3 ALA 56 -9.955 -0.841 10.942 397 H ALA 57 H ALA 57 -9.395 1.165 9.059 398 HA ALA 57 HA ALA 57 -12.023 1.663 8.119 399 HB1 ALA 57 HB1 ALA 57 -10.843 3.237 9.558 400 HB2 ALA 57 HB2 ALA 57 -11.337 4.014 8.053 401 HB3 ALA 57 HB3 ALA 57 -9.657 3.529 8.285 402 H ALA 58 H ALA 58 -8.845 1.671 6.586 403 HA ALA 58 HA ALA 58 -9.844 2.564 4.044 404 HB1 ALA 58 HB1 ALA 58 -7.578 2.122 3.234 405 HB2 ALA 58 HB2 ALA 58 -7.184 1.340 4.766 406 HB3 ALA 58 HB3 ALA 58 -7.559 3.062 4.727 407 H LEU 59 H LEU 59 -9.444 -0.468 5.637 408 HA LEU 59 HA LEU 59 -9.122 -2.265 3.566 409 HB2 LEU 59 HB2 LEU 59 -9.168 -2.671 6.085 410 HB3 LEU 59 HB3 LEU 59 -10.910 -2.744 5.944 411 HG LEU 59 HG LEU 59 -9.124 -4.588 4.366 412 HD11 LEU 59 HD11 LEU 59 -9.497 -6.256 6.128 413 HD12 LEU 59 HD12 LEU 59 -10.266 -5.021 7.124 414 HD13 LEU 59 HD13 LEU 59 -8.557 -4.881 6.709 415 HD21 LEU 59 HD21 LEU 59 -11.991 -4.835 5.285 416 HD22 LEU 59 HD22 LEU 59 -11.105 -5.998 4.299 417 HD23 LEU 59 HD23 LEU 59 -11.475 -4.398 3.655 418 H TYR 60 H TYR 60 -12.242 -1.275 5.004 419 HA TYR 60 HA TYR 60 -13.751 -2.621 3.008 420 HB2 TYR 60 HB2 TYR 60 -14.446 -0.733 5.218 421 HB3 TYR 60 HB3 TYR 60 -15.643 -1.087 3.974 422 HD1 TYR 60 HD2 TYR 60 -16.331 -3.461 3.591 423 HD2 TYR 60 HD1 TYR 60 -14.001 -2.289 6.948 424 HE1 TYR 60 HE2 TYR 60 -16.926 -5.556 4.724 425 HE2 TYR 60 HE1 TYR 60 -14.593 -4.384 8.093 426 HH TYR 60 HH TYR 60 -16.540 -6.054 7.964 427 H ALA 61 H ALA 61 -12.446 0.594 3.250 428 HA ALA 61 HA ALA 61 -14.027 1.835 1.270 429 HB1 ALA 61 HB1 ALA 61 -12.247 3.495 1.131 430 HB2 ALA 61 HB2 ALA 61 -11.160 2.423 2.014 431 HB3 ALA 61 HB3 ALA 61 -12.583 3.085 2.814 432 H VAL 62 H VAL 62 -10.897 0.171 1.096 433 HA VAL 62 HA VAL 62 -10.651 0.398 -1.733 434 HB VAL 62 HB VAL 62 -9.277 -1.476 0.207 435 HG11 VAL 62 HG11 VAL 62 -8.547 -0.793 -2.637 436 HG12 VAL 62 HG12 VAL 62 -9.207 -2.331 -2.084 437 HG13 VAL 62 HG13 VAL 62 -7.612 -1.810 -1.540 438 HG21 VAL 62 HG21 VAL 62 -8.436 1.171 -0.967 439 HG22 VAL 62 HG22 VAL 62 -7.385 0.105 -0.033 440 HG23 VAL 62 HG23 VAL 62 -8.805 0.830 0.723 441 H LYS 63 H LYS 63 -11.970 -2.025 0.448 442 HA LYS 63 HA LYS 63 -12.240 -4.154 -1.335 443 HB2 LYS 63 HB2 LYS 63 -12.611 -4.262 1.137 444 HB3 LYS 63 HB3 LYS 63 -14.151 -3.450 0.899 445 HG2 LYS 63 HG2 LYS 63 -14.904 -5.316 -0.503 446 HG3 LYS 63 HG3 LYS 63 -13.368 -6.135 -0.215 447 HD2 LYS 63 HD2 LYS 63 -13.869 -6.111 2.216 448 HD3 LYS 63 HD3 LYS 63 -15.444 -5.403 1.852 449 HE2 LYS 63 HE2 LYS 63 -15.957 -7.382 0.454 450 HE3 LYS 63 HE3 LYS 63 -14.425 -8.096 0.953 451 HZ1 LYS 63 HZ1 LYS 63 -16.226 -8.957 2.277 452 HZ2 LYS 63 HZ2 LYS 63 -16.699 -7.395 2.732 453 HZ3 LYS 63 HZ3 LYS 63 -15.212 -8.015 3.263 454 H LYS 64 H LYS 64 -14.558 -1.550 -0.572 455 HA LYS 64 HA LYS 64 -16.433 -2.490 -2.525 456 HB2 LYS 64 HB2 LYS 64 -17.691 -0.422 -2.037 457 HB3 LYS 64 HB3 LYS 64 -17.289 -1.337 -0.593 458 HG2 LYS 64 HG2 LYS 64 -15.464 0.207 -0.116 459 HG3 LYS 64 HG3 LYS 64 -15.868 1.127 -1.568 460 HD2 LYS 64 HD2 LYS 64 -18.017 1.710 -0.673 461 HD3 LYS 64 HD3 LYS 64 -17.783 0.635 0.706 462 HE2 LYS 64 HE2 LYS 64 -15.922 2.018 1.469 463 HE3 LYS 64 HE3 LYS 64 -16.146 3.088 0.086 464 HZ1 LYS 64 HZ1 LYS 64 -18.278 2.572 2.077 465 HZ2 LYS 64 HZ2 LYS 64 -18.224 3.796 0.903 466 HZ3 LYS 64 HZ3 LYS 64 -17.168 3.840 2.232 467 H ALA 65 H ALA 65 -13.788 -0.230 -2.526 468 HA ALA 65 HA ALA 65 -14.327 1.311 -4.758 469 HB1 ALA 65 HB1 ALA 65 -11.659 0.165 -3.949 470 HB2 ALA 65 HB2 ALA 65 -12.376 1.652 -3.328 471 HB3 ALA 65 HB3 ALA 65 -11.912 1.537 -5.027 472 H SER 66 H SER 66 -13.173 -1.995 -4.561 473 HA SER 66 HA SER 66 -12.551 -2.408 -7.262 474 HB2 SER 66 HB2 SER 66 -11.905 -3.953 -5.452 475 HB3 SER 66 HB3 SER 66 -13.598 -4.388 -5.222 476 HG SER 66 HG SER 66 -12.211 -4.721 -7.670 477 H GLN 67 H GLN 67 -15.613 -2.555 -5.514 478 HA GLN 67 HA GLN 67 -17.091 -3.617 -7.722 479 HB2 GLN 67 HB2 GLN 67 -17.872 -2.400 -5.083 480 HB3 GLN 67 HB3 GLN 67 -19.062 -2.842 -6.286 481 HG2 GLN 67 HG2 GLN 67 -19.027 -4.666 -4.870 482 HG3 GLN 67 HG3 GLN 67 -17.995 -5.171 -6.204 483 HE21 GLN 67 HE21 GLN 67 -15.789 -5.402 -5.860 484 HE22 GLN 67 HE22 GLN 67 -15.096 -5.423 -4.275 485 H LEU 68 H LEU 68 -16.508 -0.425 -6.337 486 HA LEU 68 HA LEU 68 -18.287 0.991 -8.034 487 HB2 LEU 68 HB2 LEU 68 -15.982 1.760 -6.299 488 HB3 LEU 68 HB3 LEU 68 -16.590 2.926 -7.454 489 HG LEU 68 HG LEU 68 -17.563 3.339 -5.283 490 HD11 LEU 68 HD11 LEU 68 -18.952 3.792 -7.218 491 HD12 LEU 68 HD12 LEU 68 -19.936 3.254 -5.859 492 HD13 LEU 68 HD13 LEU 68 -19.574 2.142 -7.179 493 HD21 LEU 68 HD21 LEU 68 -19.036 1.708 -4.196 494 HD22 LEU 68 HD22 LEU 68 -17.377 1.124 -4.311 495 HD23 LEU 68 HD23 LEU 68 -18.606 0.513 -5.419 496 H GLY 69 H GLY 69 -15.073 -0.236 -8.449 497 HA2 GLY 69 HA2 GLY 69 -14.131 -0.681 -10.557 498 HA3 GLY 69 HA3 GLY 69 -15.223 0.494 -11.272 499 H VAL 70 H VAL 70 -13.219 1.109 -8.448 500 HA VAL 70 HA VAL 70 -11.535 2.853 -10.121 501 HB VAL 70 HB VAL 70 -11.292 4.370 -8.143 502 HG11 VAL 70 HG11 VAL 70 -13.458 5.484 -8.447 503 HG12 VAL 70 HG12 VAL 70 -14.083 4.036 -9.236 504 HG13 VAL 70 HG13 VAL 70 -12.771 4.948 -9.981 505 HG21 VAL 70 HG21 VAL 70 -13.597 2.755 -7.052 506 HG22 VAL 70 HG22 VAL 70 -13.002 4.272 -6.378 507 HG23 VAL 70 HG23 VAL 70 -11.970 2.841 -6.378 508 H LYS 71 H LYS 71 -9.387 2.708 -9.855 509 HA LYS 71 HA LYS 71 -8.256 1.436 -7.516 510 HB2 LYS 71 HB2 LYS 71 -6.984 -0.230 -8.867 511 HB3 LYS 71 HB3 LYS 71 -8.713 -0.532 -8.823 512 HG2 LYS 71 HG2 LYS 71 -8.998 0.249 -11.045 513 HG3 LYS 71 HG3 LYS 71 -7.359 0.899 -11.094 514 HD2 LYS 71 HD2 LYS 71 -7.979 -2.031 -10.745 515 HD3 LYS 71 HD3 LYS 71 -7.688 -1.275 -12.312 516 HE2 LYS 71 HE2 LYS 71 -5.467 -0.628 -11.644 517 HE3 LYS 71 HE3 LYS 71 -5.751 -1.206 -10.003 518 HZ1 LYS 71 HZ1 LYS 71 -5.940 -3.456 -10.871 519 HZ2 LYS 71 HZ2 LYS 71 -4.445 -2.778 -11.279 520 HZ3 LYS 71 HZ3 LYS 71 -5.665 -2.899 -12.449 521 H ILE 72 H ILE 72 -5.765 1.260 -7.892 522 HA ILE 72 HA ILE 72 -4.866 3.456 -9.620 523 HB ILE 72 HB ILE 72 -3.065 3.863 -7.820 524 HG12 ILE 72 HG12 ILE 72 -4.182 3.661 -5.493 525 HG13 ILE 72 HG13 ILE 72 -5.195 2.434 -6.245 526 HG21 ILE 72 HG21 ILE 72 -4.459 5.579 -6.813 527 HG22 ILE 72 HG22 ILE 72 -5.897 4.790 -7.464 528 HG23 ILE 72 HG23 ILE 72 -4.693 5.476 -8.558 529 HD11 ILE 72 HD11 ILE 72 -3.307 1.461 -5.054 530 HD12 ILE 72 HD12 ILE 72 -2.193 2.360 -6.086 531 HD13 ILE 72 HD13 ILE 72 -3.235 1.119 -6.782 532 H ARG 73 H ARG 73 -2.319 3.386 -9.681 533 HA ARG 73 HA ARG 73 -1.371 0.620 -9.508 534 HB2 ARG 73 HB2 ARG 73 -1.906 1.170 -11.899 535 HB3 ARG 73 HB3 ARG 73 -0.687 2.438 -11.820 536 HG2 ARG 73 HG2 ARG 73 1.009 0.742 -11.268 537 HG3 ARG 73 HG3 ARG 73 -0.221 -0.511 -11.432 538 HD2 ARG 73 HD2 ARG 73 0.947 -0.481 -13.476 539 HD3 ARG 73 HD3 ARG 73 -0.583 0.339 -13.782 540 HE ARG 73 HE ARG 73 1.039 2.389 -13.199 541 HH11 ARG 73 HH11 ARG 73 1.420 -0.343 -15.339 542 HH12 ARG 73 HH12 ARG 73 2.406 0.515 -16.482 543 HH21 ARG 73 HH21 ARG 73 2.392 3.523 -14.657 544 HH22 ARG 73 HH22 ARG 73 2.972 2.719 -16.092 545 H ILE 74 H ILE 74 0.040 0.768 -7.895 546 HA ILE 74 HA ILE 74 1.857 3.040 -7.728 547 HB ILE 74 HB ILE 74 1.748 0.576 -5.975 548 HG12 ILE 74 HG12 ILE 74 0.583 3.309 -5.416 549 HG13 ILE 74 HG13 ILE 74 -0.367 1.927 -5.953 550 HG21 ILE 74 HG21 ILE 74 3.040 1.909 -4.398 551 HG22 ILE 74 HG22 ILE 74 3.040 3.265 -5.526 552 HG23 ILE 74 HG23 ILE 74 3.886 1.773 -5.941 553 HD11 ILE 74 HD11 ILE 74 0.267 0.713 -3.932 554 HD12 ILE 74 HD12 ILE 74 -0.539 2.236 -3.555 555 HD13 ILE 74 HD13 ILE 74 1.213 2.103 -3.397 556 H LEU 75 H LEU 75 3.840 2.977 -8.605 557 HA LEU 75 HA LEU 75 5.486 2.316 -9.999 558 HB2 LEU 75 HB2 LEU 75 6.789 0.304 -9.203 559 HB3 LEU 75 HB3 LEU 75 6.580 1.604 -8.055 560 HG LEU 75 HG LEU 75 4.514 0.008 -7.347 561 HD11 LEU 75 HD11 LEU 75 6.702 -1.845 -8.277 562 HD12 LEU 75 HD12 LEU 75 5.075 -1.731 -8.949 563 HD13 LEU 75 HD13 LEU 75 5.309 -2.303 -7.298 564 HD21 LEU 75 HD21 LEU 75 6.126 0.951 -5.828 565 HD22 LEU 75 HD22 LEU 75 7.377 -0.142 -6.419 566 HD23 LEU 75 HD23 LEU 75 5.992 -0.782 -5.533 567 H HIS 76 H HIS 76 6.241 -0.507 -10.599 568 HA HIS 76 HA HIS 76 4.222 -0.846 -12.696 569 HB2 HIS 76 HB2 HIS 76 7.036 -1.930 -12.481 570 HB3 HIS 76 HB3 HIS 76 5.942 -2.248 -13.823 571 HD1 HIS 76 HD1 HIS 76 8.538 0.008 -12.764 572 HD2 HIS 76 HD2 HIS 76 5.168 0.288 -15.183 573 HE1 HIS 76 HE1 HIS 76 8.880 2.067 -14.160 574 HE2 HIS 76 HE2 HIS 76 6.755 2.319 -15.493 575 H ASP 77 H ASP 77 2.813 -2.467 -12.641 576 HA ASP 77 HA ASP 77 2.624 -4.257 -10.488 577 HB2 ASP 77 HB2 ASP 77 1.396 -4.686 -13.218 578 HB3 ASP 77 HB3 ASP 77 0.839 -5.348 -11.689 579 H TYR 78 H TYR 78 3.349 -6.283 -10.159 580 HA TYR 78 HA TYR 78 5.045 -7.465 -12.230 581 HB2 TYR 78 HB2 TYR 78 4.914 -7.817 -9.247 582 HB3 TYR 78 HB3 TYR 78 5.702 -9.019 -10.266 583 HD1 TYR 78 HD1 TYR 78 5.777 -5.423 -9.319 584 HD2 TYR 78 HD2 TYR 78 7.884 -8.687 -11.055 585 HE1 TYR 78 HE1 TYR 78 7.841 -4.087 -9.314 586 HE2 TYR 78 HE2 TYR 78 9.953 -7.360 -11.050 587 HH TYR 78 HH TYR 78 10.398 -4.645 -9.273 588 H ALA 79 H ALA 79 5.001 -10.106 -11.553 589 HA ALA 79 HA ALA 79 2.570 -10.833 -12.905 590 HB1 ALA 79 HB1 ALA 79 3.554 -13.053 -13.041 591 HB2 ALA 79 HB2 ALA 79 4.843 -12.560 -11.944 592 HB3 ALA 79 HB3 ALA 79 4.710 -11.818 -13.539 593 H GLY 80 H GLY 80 3.755 -10.967 -9.649 594 HA2 GLY 80 HA2 GLY 80 2.213 -13.068 -8.627 595 HA3 GLY 80 HA3 GLY 80 2.814 -11.708 -7.695 596 H ILE 81 H ILE 81 1.374 -9.695 -9.152 597 HA ILE 81 HA ILE 81 -0.992 -9.619 -7.648 598 HB ILE 81 HB ILE 81 -0.341 -8.068 -10.160 599 HG12 ILE 81 HG12 ILE 81 1.382 -7.796 -8.425 600 HG13 ILE 81 HG13 ILE 81 0.461 -6.311 -8.639 601 HG21 ILE 81 HG21 ILE 81 -1.935 -6.411 -9.301 602 HG22 ILE 81 HG22 ILE 81 -2.326 -7.493 -7.964 603 HG23 ILE 81 HG23 ILE 81 -2.704 -7.965 -9.621 604 HD11 ILE 81 HD11 ILE 81 0.894 -6.755 -6.291 605 HD12 ILE 81 HD12 ILE 81 0.079 -8.313 -6.425 606 HD13 ILE 81 HD13 ILE 81 -0.835 -6.821 -6.637 607 H ALA 82 H ALA 82 -0.498 -10.302 -11.104 608 HA ALA 82 HA ALA 82 -3.318 -11.026 -11.376 609 HB1 ALA 82 HB1 ALA 82 -1.176 -10.789 -13.487 610 HB2 ALA 82 HB2 ALA 82 -2.326 -9.525 -13.042 611 HB3 ALA 82 HB3 ALA 82 -2.901 -11.028 -13.767 612 H PHE 83 H PHE 83 -0.935 -12.667 -10.145 613 HA PHE 83 HA PHE 83 -0.297 -14.806 -11.804 614 HB2 PHE 83 HB2 PHE 83 0.828 -14.232 -9.649 615 HB3 PHE 83 HB3 PHE 83 -0.551 -14.906 -8.791 616 HD1 PHE 83 HD2 PHE 83 2.375 -15.653 -10.845 617 HD2 PHE 83 HD1 PHE 83 -0.892 -17.286 -8.666 618 HE1 PHE 83 HE2 PHE 83 3.425 -17.875 -10.942 619 HE2 PHE 83 HE1 PHE 83 0.148 -19.512 -8.763 620 HZ PHE 83 HZ PHE 83 2.312 -19.810 -9.903 621 H TRP 84 H TRP 84 -2.882 -14.594 -9.384 622 HA TRP 84 HA TRP 84 -3.820 -17.228 -9.763 623 HB2 TRP 84 HB2 TRP 84 -5.376 -14.851 -8.724 624 HB3 TRP 84 HB3 TRP 84 -5.729 -16.552 -8.434 625 HD1 TRP 84 HD1 TRP 84 -3.983 -17.883 -6.789 626 HE1 TRP 84 HE1 TRP 84 -2.516 -17.006 -4.857 627 HE3 TRP 84 HE3 TRP 84 -4.059 -12.892 -7.918 628 HZ2 TRP 84 HZ2 TRP 84 -1.538 -14.527 -3.939 629 HZ3 TRP 84 HZ3 TRP 84 -2.834 -11.337 -6.457 630 HH2 TRP 84 HH2 TRP 84 -1.600 -12.139 -4.508 631 H ALA 85 H ALA 85 -4.367 -14.274 -11.465 632 HA ALA 85 HA ALA 85 -6.834 -15.170 -12.707 633 HB1 ALA 85 HB1 ALA 85 -6.820 -13.006 -13.819 634 HB2 ALA 85 HB2 ALA 85 -5.204 -12.678 -13.196 635 HB3 ALA 85 HB3 ALA 85 -6.566 -12.822 -12.085 636 H THR 86 H THR 86 -3.464 -15.357 -13.365 637 HA THR 86 HA THR 86 -3.761 -15.523 -16.228 638 HB THR 86 HB THR 86 -1.351 -16.272 -16.191 639 HG1 THR 86 HG1 THR 86 -1.870 -16.493 -13.554 640 HG21 THR 86 HG21 THR 86 -1.991 -13.672 -14.798 641 HG22 THR 86 HG22 THR 86 -1.980 -13.935 -16.543 642 HG23 THR 86 HG23 THR 86 -0.481 -14.063 -15.625 643 H GLY 87 H GLY 87 -4.595 -17.601 -13.838 644 HA2 GLY 87 HA2 GLY 87 -5.691 -19.627 -14.557 645 HA3 GLY 87 HA3 GLY 87 -4.408 -19.843 -15.737 646 H GLU 88 H GLU 88 -5.297 -20.123 -12.373 647 HA GLU 88 HA GLU 88 -2.865 -21.349 -11.514 648 HB2 GLU 88 HB2 GLU 88 -4.207 -22.056 -9.547 649 HB3 GLU 88 HB3 GLU 88 -4.343 -20.335 -9.883 650 HG2 GLU 88 HG2 GLU 88 -6.497 -20.722 -10.977 651 HG3 GLU 88 HG3 GLU 88 -6.361 -22.444 -10.623 652 H TRP 89 H TRP 89 -5.556 -22.334 -13.315 653 HA TRP 89 HA TRP 89 -4.464 -25.016 -13.588 654 HB2 TRP 89 HB2 TRP 89 -6.321 -25.044 -11.828 655 HB3 TRP 89 HB3 TRP 89 -7.429 -24.581 -13.116 656 HD1 TRP 89 HD1 TRP 89 -8.166 -26.463 -14.828 657 HE1 TRP 89 HE1 TRP 89 -7.890 -29.028 -14.845 658 HE3 TRP 89 HE3 TRP 89 -4.655 -26.911 -11.147 659 HZ2 TRP 89 HZ2 TRP 89 -6.374 -30.972 -13.469 660 HZ3 TRP 89 HZ3 TRP 89 -3.844 -29.156 -10.554 661 HH2 TRP 89 HH2 TRP 89 -4.690 -31.144 -11.694 662 H LYS 90 H LYS 90 -5.187 -26.001 -15.631 663 HA LYS 90 HA LYS 90 -5.402 -24.061 -17.692 664 HB2 LYS 90 HB2 LYS 90 -5.654 -27.068 -17.784 665 HB3 LYS 90 HB3 LYS 90 -5.736 -26.045 -19.211 666 HG2 LYS 90 HG2 LYS 90 -3.542 -26.623 -19.267 667 HG3 LYS 90 HG3 LYS 90 -3.436 -25.153 -18.302 668 HD2 LYS 90 HD2 LYS 90 -2.093 -26.899 -17.299 669 HD3 LYS 90 HD3 LYS 90 -3.466 -26.525 -16.253 670 HE2 LYS 90 HE2 LYS 90 -4.611 -28.491 -16.890 671 HE3 LYS 90 HE3 LYS 90 -3.531 -28.765 -18.258 672 HZ1 LYS 90 HZ1 LYS 90 -1.752 -29.265 -16.751 673 HZ2 LYS 90 HZ2 LYS 90 -3.079 -30.245 -16.373 674 HZ3 LYS 90 HZ3 LYS 90 -2.715 -28.904 -15.404 675 H ALA 91 H ALA 91 -7.109 -22.967 -18.146 676 HA ALA 91 HA ALA 91 -9.763 -24.016 -17.524 677 HB1 ALA 91 HB1 ALA 91 -8.888 -21.246 -18.337 678 HB2 ALA 91 HB2 ALA 91 -9.195 -21.795 -16.690 679 HB3 ALA 91 HB3 ALA 91 -10.517 -21.714 -17.854 680 H LYS 92 H LYS 92 -10.393 -25.336 -19.153 681 HA LYS 92 HA LYS 92 -10.703 -24.082 -21.779 682 HB2 LYS 92 HB2 LYS 92 -10.104 -26.290 -22.839 683 HB3 LYS 92 HB3 LYS 92 -8.771 -25.405 -22.115 684 HG2 LYS 92 HG2 LYS 92 -8.880 -26.860 -20.149 685 HG3 LYS 92 HG3 LYS 92 -10.208 -27.756 -20.894 686 HD2 LYS 92 HD2 LYS 92 -8.760 -28.409 -22.735 687 HD3 LYS 92 HD3 LYS 92 -7.441 -27.454 -22.059 688 HE2 LYS 92 HE2 LYS 92 -7.155 -29.818 -21.553 689 HE3 LYS 92 HE3 LYS 92 -7.416 -28.887 -20.080 690 HZ1 LYS 92 HZ1 LYS 92 -8.667 -31.031 -20.246 691 HZ2 LYS 92 HZ2 LYS 92 -9.596 -30.329 -21.480 692 HZ3 LYS 92 HZ3 LYS 92 -9.620 -29.667 -19.919 693 H ASN 93 H ASN 93 -12.592 -24.391 -19.721 694 HA ASN 93 HA ASN 93 -14.429 -26.370 -20.909 695 HB2 ASN 93 HB2 ASN 93 -14.427 -25.247 -18.093 696 HB3 ASN 93 HB3 ASN 93 -15.654 -26.327 -18.745 697 HD21 ASN 93 HD21 ASN 93 -15.139 -28.489 -19.104 698 HD22 ASN 93 HD22 ASN 93 -13.755 -29.233 -18.378 699 H GLU 94 H GLU 94 -14.977 -23.588 -18.794 700 HA GLU 94 HA GLU 94 -15.769 -21.742 -20.726 701 HB2 GLU 94 HB2 GLU 94 -17.649 -23.335 -21.090 702 HB3 GLU 94 HB3 GLU 94 -18.126 -23.117 -19.410 703 HG2 GLU 94 HG2 GLU 94 -18.542 -20.759 -19.818 704 HG3 GLU 94 HG3 GLU 94 -18.023 -20.947 -21.491 705 H PHE 95 H PHE 95 -17.315 -22.704 -17.673 706 HA PHE 95 HA PHE 95 -17.566 -20.153 -16.623 707 HB2 PHE 95 HB2 PHE 95 -17.911 -21.274 -14.439 708 HB3 PHE 95 HB3 PHE 95 -18.820 -22.023 -15.742 709 HD1 PHE 95 HD2 PHE 95 -18.020 -24.186 -16.712 710 HD2 PHE 95 HD1 PHE 95 -16.331 -22.506 -13.183 711 HE1 PHE 95 HE2 PHE 95 -17.051 -26.373 -16.140 712 HE2 PHE 95 HE1 PHE 95 -15.360 -24.692 -12.605 713 HZ PHE 95 HZ PHE 95 -15.719 -26.627 -14.085 714 H THR 96 H THR 96 -14.898 -22.416 -16.299 715 HA THR 96 HA THR 96 -13.540 -21.052 -14.257 716 HB THR 96 HB THR 96 -12.936 -23.307 -14.614 717 HG1 THR 96 HG1 THR 96 -11.166 -21.805 -14.134 718 HG21 THR 96 HG21 THR 96 -11.945 -24.148 -16.689 719 HG22 THR 96 HG22 THR 96 -12.169 -22.567 -17.436 720 HG23 THR 96 HG23 THR 96 -13.571 -23.522 -16.955 721 H GLN 97 H GLN 97 -13.233 -20.802 -17.815 722 HA GLN 97 HA GLN 97 -11.139 -18.894 -17.737 723 HB2 GLN 97 HB2 GLN 97 -12.848 -20.104 -19.767 724 HB3 GLN 97 HB3 GLN 97 -12.508 -18.411 -20.093 725 HG2 GLN 97 HG2 GLN 97 -10.442 -20.537 -19.585 726 HG3 GLN 97 HG3 GLN 97 -10.901 -19.908 -21.165 727 HE21 GLN 97 HE21 GLN 97 -9.222 -19.258 -18.195 728 HE22 GLN 97 HE22 GLN 97 -8.394 -17.844 -18.738 729 H ALA 98 H ALA 98 -14.655 -18.644 -17.975 730 HA ALA 98 HA ALA 98 -14.852 -15.879 -18.277 731 HB1 ALA 98 HB1 ALA 98 -16.738 -17.421 -18.568 732 HB2 ALA 98 HB2 ALA 98 -17.132 -16.105 -17.463 733 HB3 ALA 98 HB3 ALA 98 -16.761 -17.709 -16.830 734 H TYR 99 H TYR 99 -14.794 -17.850 -15.315 735 HA TYR 99 HA TYR 99 -15.019 -15.654 -13.543 736 HB2 TYR 99 HB2 TYR 99 -15.554 -17.990 -12.899 737 HB3 TYR 99 HB3 TYR 99 -13.841 -18.387 -12.995 738 HD1 TYR 99 HD2 TYR 99 -16.309 -16.295 -11.181 739 HD2 TYR 99 HD1 TYR 99 -12.392 -17.957 -11.180 740 HE1 TYR 99 HE2 TYR 99 -16.009 -15.575 -8.848 741 HE2 TYR 99 HE1 TYR 99 -12.084 -17.241 -8.850 742 HH TYR 99 HH TYR 99 -12.988 -15.538 -7.319 743 H ALA 100 H ALA 100 -12.262 -17.320 -14.982 744 HA ALA 100 HA ALA 100 -10.240 -16.113 -13.422 745 HB1 ALA 100 HB1 ALA 100 -8.709 -16.778 -15.192 746 HB2 ALA 100 HB2 ALA 100 -10.065 -17.076 -16.279 747 HB3 ALA 100 HB3 ALA 100 -9.849 -18.078 -14.843 748 H LYS 101 H LYS 101 -11.754 -15.183 -16.470 749 HA LYS 101 HA LYS 101 -10.212 -12.845 -16.887 750 HB2 LYS 101 HB2 LYS 101 -11.595 -14.107 -18.597 751 HB3 LYS 101 HB3 LYS 101 -13.015 -13.364 -17.880 752 HG2 LYS 101 HG2 LYS 101 -12.277 -11.182 -18.507 753 HG3 LYS 101 HG3 LYS 101 -10.718 -11.813 -19.048 754 HD2 LYS 101 HD2 LYS 101 -11.865 -13.128 -20.771 755 HD3 LYS 101 HD3 LYS 101 -13.411 -12.465 -20.240 756 HE2 LYS 101 HE2 LYS 101 -12.648 -10.218 -20.819 757 HE3 LYS 101 HE3 LYS 101 -11.095 -10.874 -21.335 758 HZ1 LYS 101 HZ1 LYS 101 -12.205 -12.116 -23.062 759 HZ2 LYS 101 HZ2 LYS 101 -12.604 -10.476 -23.202 760 HZ3 LYS 101 HZ3 LYS 101 -13.722 -11.565 -22.541 761 H LEU 102 H LEU 102 -13.185 -13.533 -15.152 762 HA LEU 102 HA LEU 102 -13.864 -10.861 -14.492 763 HB2 LEU 102 HB2 LEU 102 -14.464 -13.475 -13.110 764 HB3 LEU 102 HB3 LEU 102 -15.114 -11.936 -12.581 765 HG LEU 102 HG LEU 102 -15.615 -13.173 -15.287 766 HD11 LEU 102 HD11 LEU 102 -17.390 -13.018 -12.854 767 HD12 LEU 102 HD12 LEU 102 -16.643 -14.478 -13.505 768 HD13 LEU 102 HD13 LEU 102 -17.863 -13.617 -14.445 769 HD21 LEU 102 HD21 LEU 102 -15.723 -10.733 -15.291 770 HD22 LEU 102 HD22 LEU 102 -16.849 -10.777 -13.935 771 HD23 LEU 102 HD23 LEU 102 -17.323 -11.444 -15.497 772 H MET 103 H MET 103 -11.880 -13.327 -12.914 773 HA MET 103 HA MET 103 -11.316 -11.927 -10.548 774 HB2 MET 103 HB2 MET 103 -10.850 -14.349 -10.945 775 HB3 MET 103 HB3 MET 103 -9.531 -13.883 -12.010 776 HG2 MET 103 HG2 MET 103 -8.481 -12.710 -10.081 777 HG3 MET 103 HG3 MET 103 -9.739 -13.391 -9.050 778 HE1 MET 103 HE1 MET 103 -10.064 -16.233 -10.625 779 HE2 MET 103 HE2 MET 103 -10.121 -16.103 -8.867 780 HE3 MET 103 HE3 MET 103 -9.039 -17.267 -9.630 781 H ASN 104 H ASN 104 -9.838 -11.918 -13.717 782 HA ASN 104 HA ASN 104 -7.573 -10.341 -13.127 783 HB2 ASN 104 HB2 ASN 104 -7.896 -11.735 -15.169 784 HB3 ASN 104 HB3 ASN 104 -9.065 -10.558 -15.745 785 HD21 ASN 104 HD21 ASN 104 -7.916 -10.024 -17.545 786 HD22 ASN 104 HD22 ASN 104 -6.437 -9.120 -17.492 787 H GLN 105 H GLN 105 -10.884 -9.564 -13.914 788 HA GLN 105 HA GLN 105 -10.644 -6.876 -14.609 789 HB2 GLN 105 HB2 GLN 105 -12.747 -8.677 -13.971 790 HB3 GLN 105 HB3 GLN 105 -13.000 -7.219 -13.026 791 HG2 GLN 105 HG2 GLN 105 -12.467 -7.086 -15.968 792 HG3 GLN 105 HG3 GLN 105 -14.082 -7.408 -15.347 793 HE21 GLN 105 HE21 GLN 105 -11.743 -5.259 -13.808 794 HE22 GLN 105 HE22 GLN 105 -12.625 -3.802 -14.101 795 H TYR 106 H TYR 106 -11.009 -8.337 -11.385 796 HA TYR 106 HA TYR 106 -10.614 -5.683 -10.216 797 HB2 TYR 106 HB2 TYR 106 -11.382 -6.713 -8.095 798 HB3 TYR 106 HB3 TYR 106 -12.573 -6.801 -9.383 799 HD1 TYR 106 HD1 TYR 106 -10.035 -8.798 -7.539 800 HD2 TYR 106 HD2 TYR 106 -13.480 -8.872 -10.034 801 HE1 TYR 106 HE1 TYR 106 -10.262 -11.210 -7.142 802 HE2 TYR 106 HE2 TYR 106 -13.718 -11.289 -9.644 803 HH TYR 106 HH TYR 106 -11.987 -12.937 -7.211 804 H ARG 107 H ARG 107 -8.457 -7.432 -11.370 805 HA ARG 107 HA ARG 107 -6.913 -8.366 -9.171 806 HB2 ARG 107 HB2 ARG 107 -6.313 -7.871 -12.063 807 HB3 ARG 107 HB3 ARG 107 -5.008 -8.195 -10.935 808 HG2 ARG 107 HG2 ARG 107 -7.343 -10.005 -11.508 809 HG3 ARG 107 HG3 ARG 107 -5.693 -10.214 -12.091 810 HD2 ARG 107 HD2 ARG 107 -5.879 -11.663 -10.252 811 HD3 ARG 107 HD3 ARG 107 -4.997 -10.264 -9.645 812 HE ARG 107 HE ARG 107 -7.893 -10.349 -9.246 813 HH11 ARG 107 HH11 ARG 107 -4.662 -10.589 -7.899 814 HH12 ARG 107 HH12 ARG 107 -5.206 -10.474 -6.255 815 HH21 ARG 107 HH21 ARG 107 -8.596 -10.194 -7.064 816 HH22 ARG 107 HH22 ARG 107 -7.430 -10.258 -5.777 817 H GLY 108 H GLY 108 -6.110 -7.120 -7.681 818 HA2 GLY 108 HA2 GLY 108 -4.732 -5.594 -6.697 819 HA3 GLY 108 HA3 GLY 108 -4.048 -5.299 -8.286 820 H ILE 109 H ILE 109 -6.701 -4.397 -6.108 821 HA ILE 109 HA ILE 109 -7.386 -2.015 -7.513 822 HB ILE 109 HB ILE 109 -7.610 -2.568 -4.535 823 HG12 ILE 109 HG12 ILE 109 -10.098 -2.810 -5.210 824 HG13 ILE 109 HG13 ILE 109 -9.485 -3.039 -6.844 825 HG21 ILE 109 HG21 ILE 109 -7.669 -0.185 -5.016 826 HG22 ILE 109 HG22 ILE 109 -9.269 -0.751 -4.531 827 HG23 ILE 109 HG23 ILE 109 -8.918 -0.442 -6.232 828 HD11 ILE 109 HD11 ILE 109 -9.923 -5.163 -5.761 829 HD12 ILE 109 HD12 ILE 109 -8.822 -4.740 -4.451 830 HD13 ILE 109 HD13 ILE 109 -8.199 -4.972 -6.084 831 H TYR 110 H TYR 110 -5.099 -2.906 -5.042 832 HA TYR 110 HA TYR 110 -3.426 -0.643 -5.856 833 HB2 TYR 110 HB2 TYR 110 -2.531 -0.514 -3.537 834 HB3 TYR 110 HB3 TYR 110 -4.233 -0.080 -3.627 835 HD1 TYR 110 HD1 TYR 110 -1.824 -2.589 -2.449 836 HD2 TYR 110 HD2 TYR 110 -5.922 -1.456 -2.578 837 HE1 TYR 110 HE1 TYR 110 -2.328 -4.234 -0.693 838 HE2 TYR 110 HE2 TYR 110 -6.438 -3.102 -0.826 839 HH TYR 110 HH TYR 110 -5.524 -5.134 0.123 840 H SER 111 H SER 111 -1.226 -1.142 -6.014 841 HA SER 111 HA SER 111 -0.457 -3.919 -5.530 842 HB2 SER 111 HB2 SER 111 0.758 -3.796 -7.798 843 HB3 SER 111 HB3 SER 111 -0.991 -4.025 -7.825 844 HG SER 111 HG SER 111 -0.156 -2.388 -9.296 845 H PHE 112 H PHE 112 1.699 -4.199 -4.975 846 HA PHE 112 HA PHE 112 3.538 -1.999 -5.198 847 HB2 PHE 112 HB2 PHE 112 4.009 -1.883 -2.756 848 HB3 PHE 112 HB3 PHE 112 2.409 -1.295 -3.184 849 HD1 PHE 112 HD1 PHE 112 0.413 -2.557 -2.560 850 HD2 PHE 112 HD2 PHE 112 4.305 -3.852 -1.422 851 HE1 PHE 112 HE1 PHE 112 -0.579 -4.068 -0.894 852 HE2 PHE 112 HE2 PHE 112 3.316 -5.368 0.245 853 HZ PHE 112 HZ PHE 112 0.873 -5.478 0.510 854 H GLU 113 H GLU 113 5.620 -2.609 -5.104 855 HA GLU 113 HA GLU 113 6.375 -5.238 -4.126 856 HB2 GLU 113 HB2 GLU 113 5.734 -5.594 -6.496 857 HB3 GLU 113 HB3 GLU 113 6.870 -4.345 -6.982 858 HG2 GLU 113 HG2 GLU 113 7.696 -6.635 -7.352 859 HG3 GLU 113 HG3 GLU 113 8.727 -5.689 -6.281 860 H LYS 114 H LYS 114 8.723 -5.335 -3.738 861 HA LYS 114 HA LYS 114 9.649 -2.747 -3.017 862 HB2 LYS 114 HB2 LYS 114 11.766 -4.116 -2.360 863 HB3 LYS 114 HB3 LYS 114 10.311 -4.117 -1.379 864 HG2 LYS 114 HG2 LYS 114 10.581 -6.178 -3.481 865 HG3 LYS 114 HG3 LYS 114 11.569 -6.312 -2.027 866 HD2 LYS 114 HD2 LYS 114 9.475 -6.030 -0.680 867 HD3 LYS 114 HD3 LYS 114 8.568 -6.148 -2.193 868 HE2 LYS 114 HE2 LYS 114 9.458 -8.332 -2.603 869 HE3 LYS 114 HE3 LYS 114 10.493 -8.197 -1.189 870 HZ1 LYS 114 HZ1 LYS 114 8.653 -9.521 -0.567 871 HZ2 LYS 114 HZ2 LYS 114 7.546 -8.442 -1.256 872 HZ3 LYS 114 HZ3 LYS 114 8.396 -8.001 0.147 873 H VAL 115 H VAL 115 9.931 -1.666 -4.861 874 HA VAL 115 HA VAL 115 12.530 -2.128 -6.121 875 HB VAL 115 HB VAL 115 10.862 -2.845 -7.765 876 HG11 VAL 115 HG11 VAL 115 8.945 -1.577 -6.979 877 HG12 VAL 115 HG12 VAL 115 9.230 -1.281 -8.694 878 HG13 VAL 115 HG13 VAL 115 9.708 -0.074 -7.500 879 HG21 VAL 115 HG21 VAL 115 11.501 -1.405 -9.626 880 HG22 VAL 115 HG22 VAL 115 12.880 -1.736 -8.579 881 HG23 VAL 115 HG23 VAL 115 12.062 -0.176 -8.493 882 H LYS 116 H LYS 116 13.670 -0.193 -6.564 883 HA LYS 116 HA LYS 116 13.156 1.820 -4.651 884 HB2 LYS 116 HB2 LYS 116 15.100 2.957 -5.527 885 HB3 LYS 116 HB3 LYS 116 15.422 1.233 -5.410 886 HG2 LYS 116 HG2 LYS 116 15.261 0.942 -7.744 887 HG3 LYS 116 HG3 LYS 116 14.554 2.544 -7.968 888 HD2 LYS 116 HD2 LYS 116 16.867 2.578 -8.640 889 HD3 LYS 116 HD3 LYS 116 16.669 3.546 -7.183 890 HE2 LYS 116 HE2 LYS 116 17.513 1.698 -5.831 891 HE3 LYS 116 HE3 LYS 116 17.677 0.704 -7.279 892 HZ1 LYS 116 HZ1 LYS 116 19.323 2.203 -8.127 893 HZ2 LYS 116 HZ2 LYS 116 19.776 1.728 -6.565 894 HZ3 LYS 116 HZ3 LYS 116 19.111 3.266 -6.824 895 H ALA 117 H ALA 117 12.916 4.097 -5.014 896 HA ALA 117 HA ALA 117 11.626 4.913 -7.491 897 HB1 ALA 117 HB1 ALA 117 9.680 5.828 -6.301 898 HB2 ALA 117 HB2 ALA 117 10.270 5.111 -4.800 899 HB3 ALA 117 HB3 ALA 117 9.784 4.076 -6.142 900 H HIS 118 H HIS 118 11.705 7.196 -7.811 901 HA HIS 118 HA HIS 118 13.116 8.751 -5.800 902 HB2 HIS 118 HB2 HIS 118 14.963 9.363 -7.245 903 HB3 HIS 118 HB3 HIS 118 14.895 7.612 -7.104 904 HD1 HIS 118 HD1 HIS 118 13.689 6.389 -9.281 905 HD2 HIS 118 HD2 HIS 118 15.098 10.274 -9.790 906 HE1 HIS 118 HE1 HIS 118 13.874 6.729 -11.765 907 HE2 HIS 118 HE2 HIS 118 14.532 9.145 -12.044 908 H SER 119 H SER 119 10.504 9.191 -6.574 909 HA SER 119 HA SER 119 10.209 10.893 -8.814 910 HB2 SER 119 HB2 SER 119 8.508 10.767 -6.312 911 HB3 SER 119 HB3 SER 119 8.031 11.489 -7.850 912 HG SER 119 HG SER 119 8.512 8.759 -7.242 913 H GLY 120 H GLY 120 11.045 11.544 -5.460 914 HA2 GLY 120 HA2 GLY 120 12.038 13.386 -4.509 915 HA3 GLY 120 HA3 GLY 120 12.397 13.931 -6.140 916 H ASN 121 H ASN 121 9.429 13.508 -4.216 917 HA ASN 121 HA ASN 121 8.715 16.297 -4.871 918 HB2 ASN 121 HB2 ASN 121 6.960 13.899 -4.310 919 HB3 ASN 121 HB3 ASN 121 6.344 15.547 -4.263 920 HD21 ASN 121 HD21 ASN 121 4.911 15.093 -5.965 921 HD22 ASN 121 HD22 ASN 121 5.475 14.970 -7.598 922 H GLU 122 H GLU 122 7.041 17.087 -3.031 923 HA GLU 122 HA GLU 122 8.576 17.532 -0.745 924 HB2 GLU 122 HB2 GLU 122 5.562 17.706 -0.916 925 HB3 GLU 122 HB3 GLU 122 6.585 18.500 0.270 926 HG2 GLU 122 HG2 GLU 122 6.169 20.223 -1.169 927 HG3 GLU 122 HG3 GLU 122 7.673 19.594 -1.839 928 H PHE 123 H PHE 123 6.340 14.985 -1.477 929 HA PHE 123 HA PHE 123 5.877 14.072 1.155 930 HB2 PHE 123 HB2 PHE 123 5.734 12.599 -1.481 931 HB3 PHE 123 HB3 PHE 123 5.153 11.957 0.052 932 HD1 PHE 123 HD1 PHE 123 3.317 13.217 1.252 933 HD2 PHE 123 HD2 PHE 123 4.387 13.970 -2.795 934 HE1 PHE 123 HE1 PHE 123 1.140 14.301 0.884 935 HE2 PHE 123 HE2 PHE 123 2.215 15.063 -3.171 936 HZ PHE 123 HZ PHE 123 0.587 15.229 -1.327 937 H ASN 124 H ASN 124 8.515 13.627 -1.057 938 HA ASN 124 HA ASN 124 9.611 11.264 0.009 939 HB2 ASN 124 HB2 ASN 124 10.781 13.553 -1.548 940 HB3 ASN 124 HB3 ASN 124 11.800 12.241 -0.961 941 HD21 ASN 124 HD21 ASN 124 11.703 10.270 -1.919 942 HD22 ASN 124 HD22 ASN 124 10.772 9.934 -3.351 943 H ASP 125 H ASP 125 9.869 14.617 0.956 944 HA ASP 125 HA ASP 125 11.975 14.359 2.820 945 HB2 ASP 125 HB2 ASP 125 11.195 16.537 1.999 946 HB3 ASP 125 HB3 ASP 125 9.639 16.288 2.778 947 H TYR 126 H TYR 126 8.502 13.975 3.029 948 HA TYR 126 HA TYR 126 8.358 13.635 5.846 949 HB2 TYR 126 HB2 TYR 126 6.471 14.378 4.396 950 HB3 TYR 126 HB3 TYR 126 6.404 12.762 3.706 951 HD1 TYR 126 HD1 TYR 126 6.000 14.655 6.871 952 HD2 TYR 126 HD2 TYR 126 5.139 11.067 4.750 953 HE1 TYR 126 HE1 TYR 126 4.409 14.005 8.628 954 HE2 TYR 126 HE2 TYR 126 3.547 10.402 6.506 955 HH TYR 126 HH TYR 126 2.992 10.841 8.779 956 H VAL 127 H VAL 127 8.286 11.347 3.112 957 HA VAL 127 HA VAL 127 7.957 9.074 4.795 958 HB VAL 127 HB VAL 127 7.168 9.085 2.471 959 HG11 VAL 127 HG11 VAL 127 8.940 10.315 1.391 960 HG12 VAL 127 HG12 VAL 127 8.750 8.740 0.623 961 HG13 VAL 127 HG13 VAL 127 10.090 9.021 1.734 962 HG21 VAL 127 HG21 VAL 127 7.548 6.958 3.597 963 HG22 VAL 127 HG22 VAL 127 9.215 6.940 3.021 964 HG23 VAL 127 HG23 VAL 127 7.883 6.830 1.871 965 H ASP 128 H ASP 128 10.779 10.656 3.377 966 HA ASP 128 HA ASP 128 12.636 8.601 3.761 967 HB2 ASP 128 HB2 ASP 128 13.327 10.431 2.434 968 HB3 ASP 128 HB3 ASP 128 12.942 11.596 3.698 969 H MET 129 H MET 129 11.968 11.377 5.901 970 HA MET 129 HA MET 129 13.677 10.434 7.948 971 HB2 MET 129 HB2 MET 129 12.681 12.163 9.360 972 HB3 MET 129 HB3 MET 129 13.092 12.797 7.778 973 HG2 MET 129 HG2 MET 129 10.743 12.638 7.108 974 HG3 MET 129 HG3 MET 129 10.337 12.020 8.707 975 HE1 MET 129 HE1 MET 129 11.159 15.097 10.992 976 HE2 MET 129 HE2 MET 129 12.216 13.744 10.588 977 HE3 MET 129 HE3 MET 129 10.512 13.457 10.943 978 H LYS 130 H LYS 130 10.323 9.922 7.190 979 HA LYS 130 HA LYS 130 9.459 8.809 9.623 980 HB2 LYS 130 HB2 LYS 130 8.240 9.454 7.318 981 HB3 LYS 130 HB3 LYS 130 8.405 7.726 7.060 982 HG2 LYS 130 HG2 LYS 130 7.039 9.019 9.409 983 HG3 LYS 130 HG3 LYS 130 6.234 8.318 8.008 984 HD2 LYS 130 HD2 LYS 130 7.175 6.130 8.564 985 HD3 LYS 130 HD3 LYS 130 7.984 6.834 9.965 986 HE2 LYS 130 HE2 LYS 130 5.971 5.744 10.690 987 HE3 LYS 130 HE3 LYS 130 5.776 7.488 10.860 988 HZ1 LYS 130 HZ1 LYS 130 4.602 7.452 8.693 989 HZ2 LYS 130 HZ2 LYS 130 3.800 6.624 9.927 990 HZ3 LYS 130 HZ3 LYS 130 4.642 5.756 8.732 991 H ALA 131 H ALA 131 10.801 7.312 6.691 992 HA ALA 131 HA ALA 131 10.737 4.651 7.642 993 HB1 ALA 131 HB1 ALA 131 12.477 5.893 5.511 994 HB2 ALA 131 HB2 ALA 131 10.890 5.162 5.271 995 HB3 ALA 131 HB3 ALA 131 12.255 4.163 5.772 996 H LYS 132 H LYS 132 13.178 7.197 7.799 997 HA LYS 132 HA LYS 132 15.330 5.634 8.694 998 HB2 LYS 132 HB2 LYS 132 14.738 8.524 9.345 999 HB3 LYS 132 HB3 LYS 132 16.293 7.729 9.545 1000 HG2 LYS 132 HG2 LYS 132 14.868 8.145 6.929 1001 HG3 LYS 132 HG3 LYS 132 16.208 9.118 7.537 1002 HD2 LYS 132 HD2 LYS 132 17.690 7.224 7.437 1003 HD3 LYS 132 HD3 LYS 132 16.353 6.152 7.014 1004 HE2 LYS 132 HE2 LYS 132 17.689 6.756 5.051 1005 HE3 LYS 132 HE3 LYS 132 16.029 7.333 4.923 1006 HZ1 LYS 132 HZ1 LYS 132 18.502 8.879 5.351 1007 HZ2 LYS 132 HZ2 LYS 132 17.023 9.497 5.901 1008 HZ3 LYS 132 HZ3 LYS 132 17.232 9.157 4.256 1009 H SER 133 H SER 133 12.607 7.022 10.397 1010 HA SER 133 HA SER 133 13.593 6.729 13.020 1011 HB2 SER 133 HB2 SER 133 11.581 8.085 12.332 1012 HB3 SER 133 HB3 SER 133 10.694 6.571 12.160 1013 HG SER 133 HG SER 133 12.050 7.041 14.569 1014 H ALA 134 H ALA 134 11.979 4.509 10.822 1015 HA ALA 134 HA ALA 134 11.576 2.466 12.802 1016 HB1 ALA 134 HB1 ALA 134 11.483 2.255 9.790 1017 HB2 ALA 134 HB2 ALA 134 10.119 2.661 10.832 1018 HB3 ALA 134 HB3 ALA 134 10.868 1.069 10.942 1019 H LEU 135 H LEU 135 14.159 3.457 10.776 1020 HA LEU 135 HA LEU 135 15.573 0.919 11.045 1021 HB2 LEU 135 HB2 LEU 135 16.334 3.470 9.616 1022 HB3 LEU 135 HB3 LEU 135 17.283 1.995 9.614 1023 HG LEU 135 HG LEU 135 14.503 2.266 8.463 1024 HD11 LEU 135 HD11 LEU 135 15.627 2.061 6.291 1025 HD12 LEU 135 HD12 LEU 135 17.191 2.107 7.104 1026 HD13 LEU 135 HD13 LEU 135 16.129 3.514 7.157 1027 HD21 LEU 135 HD21 LEU 135 14.948 0.020 9.269 1028 HD22 LEU 135 HD22 LEU 135 16.482 -0.009 8.401 1029 HD23 LEU 135 HD23 LEU 135 14.964 0.044 7.506 1030 H GLY 136 H GLY 136 15.088 3.623 12.836 1031 HA2 GLY 136 HA2 GLY 136 16.021 4.190 14.866 1032 HA3 GLY 136 HA3 GLY 136 17.223 2.935 14.616 1033 H ILE 137 H ILE 137 16.752 5.353 12.182 1034 HA ILE 137 HA ILE 137 19.489 6.200 12.428 1035 HB ILE 137 HB ILE 137 17.292 7.265 10.644 1036 HG12 ILE 137 HG12 ILE 137 17.729 4.898 10.221 1037 HG13 ILE 137 HG13 ILE 137 18.335 5.878 8.890 1038 HG21 ILE 137 HG21 ILE 137 20.277 7.645 10.503 1039 HG22 ILE 137 HG22 ILE 137 19.078 8.880 10.889 1040 HG23 ILE 137 HG23 ILE 137 19.123 8.167 9.275 1041 HD11 ILE 137 HD11 ILE 137 20.603 5.675 9.788 1042 HD12 ILE 137 HD12 ILE 137 19.884 4.106 9.430 1043 HD13 ILE 137 HD13 ILE 137 19.984 4.670 11.098 1044 H ARG 138 H ARG 138 20.269 8.052 13.305 1045 HA ARG 138 HA ARG 138 18.394 9.562 14.939 1046 HB2 ARG 138 HB2 ARG 138 21.409 9.503 14.883 1047 HB3 ARG 138 HB3 ARG 138 20.489 10.612 15.888 1048 HG2 ARG 138 HG2 ARG 138 21.082 8.836 17.293 1049 HG3 ARG 138 HG3 ARG 138 19.386 8.560 16.889 1050 HD2 ARG 138 HD2 ARG 138 20.087 6.971 15.148 1051 HD3 ARG 138 HD3 ARG 138 21.767 7.222 15.614 1052 HE ARG 138 HE ARG 138 20.059 6.362 17.773 1053 HH11 ARG 138 HH11 ARG 138 22.093 5.364 15.113 1054 HH12 ARG 138 HH12 ARG 138 22.418 3.788 15.765 1055 HH21 ARG 138 HH21 ARG 138 20.445 4.280 18.645 1056 HH22 ARG 138 HH22 ARG 138 21.466 3.164 17.788 1057 H ASP 139 H ASP 139 18.977 11.921 15.216 1058 HA ASP 139 HA ASP 139 18.675 13.998 14.412 1059 HB2 ASP 139 HB2 ASP 139 20.679 13.072 12.359 1060 HB3 ASP 139 HB3 ASP 139 20.213 14.744 12.629 1061 H LEU 140 H LEU 140 16.551 12.928 13.863 1062 HA LEU 140 HA LEU 140 15.895 13.330 11.038 1063 HB2 LEU 140 HB2 LEU 140 14.126 12.515 13.354 1064 HB3 LEU 140 HB3 LEU 140 13.644 12.586 11.669 1065 HG LEU 140 HG LEU 140 15.694 10.701 12.836 1066 HD11 LEU 140 HD11 LEU 140 13.447 10.102 13.503 1067 HD12 LEU 140 HD12 LEU 140 14.031 8.972 12.282 1068 HD13 LEU 140 HD13 LEU 140 12.888 10.239 11.835 1069 HD21 LEU 140 HD21 LEU 140 16.237 11.336 10.551 1070 HD22 LEU 140 HD22 LEU 140 14.599 10.930 10.039 1071 HD23 LEU 140 HD23 LEU 140 15.679 9.665 10.624 1072 H GLU 141 H GLU 141 15.453 14.524 14.240 1073 HA GLU 141 HA GLU 141 13.807 16.775 13.441 1074 HB2 GLU 141 HB2 GLU 141 13.785 17.260 15.868 1075 HB3 GLU 141 HB3 GLU 141 13.263 15.621 15.512 1076 HG2 GLU 141 HG2 GLU 141 16.100 16.215 16.277 1077 HG3 GLU 141 HG3 GLU 141 14.846 16.015 17.495 1078 H HIS 142 H HIS 142 16.803 16.305 12.810 1079 HA HIS 142 HA HIS 142 18.100 18.442 14.251 1080 HB2 HIS 142 HB2 HIS 142 19.201 16.254 13.470 1081 HB3 HIS 142 HB3 HIS 142 19.228 16.983 11.869 1082 HD1 HIS 142 HD1 HIS 142 21.386 16.460 14.580 1083 HD2 HIS 142 HD2 HIS 142 20.558 19.764 12.171 1084 HE1 HIS 142 HE1 HIS 142 23.358 18.012 14.833 1085 HE2 HIS 142 HE2 HIS 142 22.880 19.958 13.305 1086 H HIS 143 H HIS 143 16.826 20.206 13.635 1087 HA HIS 143 HA HIS 143 17.752 21.388 11.126 1088 HB2 HIS 143 HB2 HIS 143 14.860 21.300 12.024 1089 HB3 HIS 143 HB3 HIS 143 15.462 22.429 10.818 1090 HD1 HIS 143 HD1 HIS 143 16.101 21.466 8.493 1091 HD2 HIS 143 HD2 HIS 143 14.499 18.676 11.137 1092 HE1 HIS 143 HE1 HIS 143 15.488 19.467 7.091 1093 HE2 HIS 143 HE2 HIS 143 14.314 17.897 8.675 1094 H HIS 144 H HIS 144 15.510 22.221 13.744 1095 HA HIS 144 HA HIS 144 15.450 23.872 15.275 1096 HB2 HIS 144 HB2 HIS 144 18.434 23.690 14.902 1097 HB3 HIS 144 HB3 HIS 144 17.705 24.821 16.039 1098 HD1 HIS 144 HD1 HIS 144 17.869 23.888 18.326 1099 HD2 HIS 144 HD2 HIS 144 17.093 20.930 15.512 1100 HE1 HIS 144 HE1 HIS 144 17.625 21.760 19.635 1101 HE2 HIS 144 HE2 HIS 144 16.920 20.035 17.936 1102 H HIS 145 H HIS 145 16.454 26.285 15.660 1103 HA HIS 145 HA HIS 145 16.477 27.679 13.091 1104 HB2 HIS 145 HB2 HIS 145 14.407 28.128 15.250 1105 HB3 HIS 145 HB3 HIS 145 14.732 29.289 13.969 1106 HD1 HIS 145 HD1 HIS 145 12.770 26.306 14.745 1107 HD2 HIS 145 HD2 HIS 145 14.110 28.255 11.318 1108 HE1 HIS 145 HE1 HIS 145 11.373 25.404 12.858 1109 HE2 HIS 145 HE2 HIS 145 12.182 26.602 10.796 1110 H HIS 146 H HIS 146 18.328 28.757 13.253 1111 HA HIS 146 HA HIS 146 18.628 30.572 15.534 1112 HB2 HIS 146 HB2 HIS 146 20.648 28.559 14.600 1113 HB3 HIS 146 HB3 HIS 146 21.184 30.080 15.304 1114 HD1 HIS 146 HD1 HIS 146 21.250 26.970 16.447 1115 HD2 HIS 146 HD2 HIS 146 19.052 30.241 17.784 1116 HE1 HIS 146 HE1 HIS 146 20.709 26.486 18.859 1117 HE2 HIS 146 HE2 HIS 146 19.559 28.574 19.688 1118 H HIS 147 H HIS 147 19.182 32.558 14.979 1119 HA HIS 147 HA HIS 147 20.448 33.050 12.390 1120 HB2 HIS 147 HB2 HIS 147 17.827 34.243 13.298 1121 HB3 HIS 147 HB3 HIS 147 18.835 35.005 12.074 1122 HD1 HIS 147 HD1 HIS 147 16.503 32.145 12.617 1123 HD2 HIS 147 HD2 HIS 147 18.940 33.668 9.608 1124 HE1 HIS 147 HE1 HIS 147 15.788 30.977 10.504 1125 HE2 HIS 147 HE2 HIS 147 17.130 32.077 8.672 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -12.515 14.837 2.865 2 H2 MET 1 H2 MET 1 -11.416 14.142 1.767 3 H3 MET 1 H3 MET 1 -12.070 13.206 3.019 4 HA MET 1 HA MET 1 -13.119 12.657 0.954 5 HB2 MET 1 HB2 MET 1 -14.936 14.257 2.765 6 HB3 MET 1 HB3 MET 1 -15.471 13.079 1.573 7 HG2 MET 1 HG2 MET 1 -14.131 11.361 2.808 8 HG3 MET 1 HG3 MET 1 -13.868 12.570 4.063 9 HE1 MET 1 HE1 MET 1 -17.968 10.778 2.939 10 HE2 MET 1 HE2 MET 1 -16.429 10.238 2.268 11 HE3 MET 1 HE3 MET 1 -17.060 11.833 1.854 12 H ASP 2 H ASP 2 -12.376 15.900 1.314 13 HA ASP 2 HA ASP 2 -13.842 16.803 -1.027 14 HB2 ASP 2 HB2 ASP 2 -12.507 18.904 -0.685 15 HB3 ASP 2 HB3 ASP 2 -13.468 18.446 0.715 16 H ASP 3 H ASP 3 -12.536 14.612 -1.663 17 HA ASP 3 HA ASP 3 -10.337 15.364 -3.360 18 HB2 ASP 3 HB2 ASP 3 -8.929 13.472 -2.390 19 HB3 ASP 3 HB3 ASP 3 -9.069 14.909 -1.384 20 H ARG 4 H ARG 4 -10.624 14.328 -5.206 21 HA ARG 4 HA ARG 4 -12.107 11.806 -5.242 22 HB2 ARG 4 HB2 ARG 4 -13.663 12.592 -6.916 23 HB3 ARG 4 HB3 ARG 4 -13.735 13.656 -5.515 24 HG2 ARG 4 HG2 ARG 4 -12.525 15.355 -6.615 25 HG3 ARG 4 HG3 ARG 4 -12.039 14.274 -7.918 26 HD2 ARG 4 HD2 ARG 4 -14.517 14.081 -8.464 27 HD3 ARG 4 HD3 ARG 4 -14.748 15.454 -7.379 28 HE ARG 4 HE ARG 4 -12.777 16.282 -9.066 29 HH11 ARG 4 HH11 ARG 4 -16.052 15.091 -9.500 30 HH12 ARG 4 HH12 ARG 4 -16.261 15.884 -11.030 31 HH21 ARG 4 HH21 ARG 4 -13.060 17.311 -11.089 32 HH22 ARG 4 HH22 ARG 4 -14.579 17.145 -11.926 33 H THR 5 H THR 5 -9.745 13.821 -6.652 34 HA THR 5 HA THR 5 -10.028 12.726 -9.300 35 HB THR 5 HB THR 5 -7.651 14.177 -9.258 36 HG1 THR 5 HG1 THR 5 -8.278 14.897 -7.115 37 HG21 THR 5 HG21 THR 5 -9.372 14.216 -10.998 38 HG22 THR 5 HG22 THR 5 -8.957 15.847 -10.471 39 HG23 THR 5 HG23 THR 5 -10.452 15.095 -9.915 40 H GLU 6 H GLU 6 -9.526 10.576 -9.171 41 HA GLU 6 HA GLU 6 -8.204 8.735 -9.331 42 HB2 GLU 6 HB2 GLU 6 -7.756 10.139 -11.369 43 HB3 GLU 6 HB3 GLU 6 -6.274 10.675 -10.589 44 HG2 GLU 6 HG2 GLU 6 -5.297 8.565 -10.731 45 HG3 GLU 6 HG3 GLU 6 -6.848 7.766 -11.004 46 H TYR 7 H TYR 7 -7.671 8.115 -7.287 47 HA TYR 7 HA TYR 7 -5.762 9.552 -5.730 48 HB2 TYR 7 HB2 TYR 7 -6.827 6.785 -5.173 49 HB3 TYR 7 HB3 TYR 7 -6.196 7.946 -4.011 50 HD1 TYR 7 HD1 TYR 7 -7.519 10.356 -4.270 51 HD2 TYR 7 HD2 TYR 7 -9.099 6.492 -5.077 52 HE1 TYR 7 HE1 TYR 7 -9.792 11.211 -3.885 53 HE2 TYR 7 HE2 TYR 7 -11.376 7.336 -4.696 54 HH TYR 7 HH TYR 7 -12.040 10.725 -4.317 55 H ASP 8 H ASP 8 -3.636 9.278 -5.580 56 HA ASP 8 HA ASP 8 -2.461 7.020 -7.063 57 HB2 ASP 8 HB2 ASP 8 -2.053 9.412 -7.868 58 HB3 ASP 8 HB3 ASP 8 -1.089 9.629 -6.412 59 H VAL 9 H VAL 9 -2.105 5.500 -5.559 60 HA VAL 9 HA VAL 9 -0.994 6.252 -2.956 61 HB VAL 9 HB VAL 9 -2.063 3.592 -3.928 62 HG11 VAL 9 HG11 VAL 9 -1.997 2.908 -1.590 63 HG12 VAL 9 HG12 VAL 9 -1.266 4.453 -1.153 64 HG13 VAL 9 HG13 VAL 9 -0.386 3.321 -2.178 65 HG21 VAL 9 HG21 VAL 9 -3.313 5.616 -2.078 66 HG22 VAL 9 HG22 VAL 9 -3.997 4.057 -2.541 67 HG23 VAL 9 HG23 VAL 9 -3.788 5.323 -3.751 68 H TYR 10 H TYR 10 1.144 6.306 -2.851 69 HA TYR 10 HA TYR 10 2.693 4.119 -4.005 70 HB2 TYR 10 HB2 TYR 10 4.338 5.704 -4.974 71 HB3 TYR 10 HB3 TYR 10 2.760 5.822 -5.745 72 HD1 TYR 10 HD2 TYR 10 1.314 7.761 -5.306 73 HD2 TYR 10 HD1 TYR 10 5.266 7.562 -3.751 74 HE1 TYR 10 HE2 TYR 10 1.251 10.175 -4.865 75 HE2 TYR 10 HE1 TYR 10 5.212 9.980 -3.297 76 HH TYR 10 HH TYR 10 2.330 11.796 -3.418 77 H THR 11 H THR 11 4.685 3.780 -2.986 78 HA THR 11 HA THR 11 5.479 5.602 -0.871 79 HB THR 11 HB THR 11 5.041 2.658 -0.317 80 HG1 THR 11 HG1 THR 11 3.387 4.842 -0.124 81 HG21 THR 11 HG21 THR 11 6.909 3.602 0.941 82 HG22 THR 11 HG22 THR 11 5.543 3.280 2.010 83 HG23 THR 11 HG23 THR 11 5.886 4.930 1.490 84 H ASP 12 H ASP 12 7.215 6.038 -2.244 85 HA ASP 12 HA ASP 12 9.194 3.866 -2.468 86 HB2 ASP 12 HB2 ASP 12 8.286 4.909 -4.634 87 HB3 ASP 12 HB3 ASP 12 9.168 6.361 -4.170 88 H GLY 13 H GLY 13 10.364 4.129 -0.667 89 HA2 GLY 13 HA2 GLY 13 12.396 5.746 -0.207 90 HA3 GLY 13 HA3 GLY 13 11.067 6.811 0.243 91 H SER 14 H SER 14 13.020 4.159 1.170 92 HA SER 14 HA SER 14 11.974 4.182 3.840 93 HB2 SER 14 HB2 SER 14 11.471 1.667 3.737 94 HB3 SER 14 HB3 SER 14 10.294 2.751 2.997 95 HG SER 14 HG SER 14 10.789 0.993 1.631 96 H TYR 15 H TYR 15 14.539 4.329 2.129 97 HA TYR 15 HA TYR 15 16.111 2.791 4.026 98 HB2 TYR 15 HB2 TYR 15 17.501 1.722 2.365 99 HB3 TYR 15 HB3 TYR 15 15.826 1.269 2.102 100 HD1 TYR 15 HD1 TYR 15 14.550 2.557 0.246 101 HD2 TYR 15 HD2 TYR 15 18.788 2.534 0.618 102 HE1 TYR 15 HE1 TYR 15 14.755 3.204 -2.118 103 HE2 TYR 15 HE2 TYR 15 19.004 3.184 -1.740 104 HH TYR 15 HH TYR 15 17.743 3.104 -3.795 105 H VAL 16 H VAL 16 17.840 3.846 4.694 106 HA VAL 16 HA VAL 16 19.150 5.832 3.053 107 HB VAL 16 HB VAL 16 17.298 7.146 3.966 108 HG11 VAL 16 HG11 VAL 16 18.360 6.358 6.673 109 HG12 VAL 16 HG12 VAL 16 16.820 5.870 5.965 110 HG13 VAL 16 HG13 VAL 16 17.107 7.562 6.375 111 HG21 VAL 16 HG21 VAL 16 19.376 8.304 3.604 112 HG22 VAL 16 HG22 VAL 16 19.971 7.812 5.190 113 HG23 VAL 16 HG23 VAL 16 18.612 8.929 5.065 114 H ASN 17 H ASN 17 21.257 6.064 3.608 115 HA ASN 17 HA ASN 17 23.262 5.568 4.551 116 HB2 ASN 17 HB2 ASN 17 21.560 5.795 7.027 117 HB3 ASN 17 HB3 ASN 17 23.275 5.412 7.124 118 HD21 ASN 17 HD21 ASN 17 20.921 7.852 6.403 119 HD22 ASN 17 HD22 ASN 17 22.021 9.182 6.317 120 H GLY 18 H GLY 18 21.491 3.391 3.662 121 HA2 GLY 18 HA2 GLY 18 21.967 1.127 3.421 122 HA3 GLY 18 HA3 GLY 18 23.088 1.239 4.770 123 H GLN 19 H GLN 19 20.394 2.684 5.874 124 HA GLN 19 HA GLN 19 19.525 0.241 7.217 125 HB2 GLN 19 HB2 GLN 19 18.885 3.142 7.776 126 HB3 GLN 19 HB3 GLN 19 18.321 1.781 8.735 127 HG2 GLN 19 HG2 GLN 19 20.650 1.206 9.259 128 HG3 GLN 19 HG3 GLN 19 21.187 2.613 8.340 129 HE21 GLN 19 HE21 GLN 19 19.603 1.496 11.225 130 HE22 GLN 19 HE22 GLN 19 19.662 3.005 12.082 131 H TYR 20 H TYR 20 17.554 -0.655 6.918 132 HA TYR 20 HA TYR 20 15.702 0.713 5.088 133 HB2 TYR 20 HB2 TYR 20 17.031 -0.854 3.778 134 HB3 TYR 20 HB3 TYR 20 16.659 -2.153 4.901 135 HD1 TYR 20 HD2 TYR 20 15.231 0.057 2.300 136 HD2 TYR 20 HD1 TYR 20 14.631 -3.405 4.704 137 HE1 TYR 20 HE2 TYR 20 13.286 -0.558 0.925 138 HE2 TYR 20 HE1 TYR 20 12.690 -4.032 3.328 139 HH TYR 20 HH TYR 20 12.040 -2.656 0.332 140 H ALA 21 H ALA 21 13.629 0.613 5.639 141 HA ALA 21 HA ALA 21 12.564 -1.588 7.206 142 HB1 ALA 21 HB1 ALA 21 13.320 -0.057 8.960 143 HB2 ALA 21 HB2 ALA 21 11.559 -0.113 8.900 144 HB3 ALA 21 HB3 ALA 21 12.421 1.263 8.212 145 H TRP 22 H TRP 22 10.420 -1.942 6.629 146 HA TRP 22 HA TRP 22 9.621 -0.411 4.314 147 HB2 TRP 22 HB2 TRP 22 7.979 -2.117 3.893 148 HB3 TRP 22 HB3 TRP 22 9.509 -2.886 4.283 149 HD1 TRP 22 HD1 TRP 22 9.662 -4.112 6.708 150 HE1 TRP 22 HE1 TRP 22 7.817 -5.193 8.137 151 HE3 TRP 22 HE3 TRP 22 5.593 -1.903 4.560 152 HZ2 TRP 22 HZ2 TRP 22 4.988 -5.111 8.330 153 HZ3 TRP 22 HZ3 TRP 22 3.354 -2.452 5.416 154 HH2 TRP 22 HH2 TRP 22 3.058 -4.023 7.263 155 H ALA 23 H ALA 23 7.755 0.693 4.039 156 HA ALA 23 HA ALA 23 5.998 1.165 6.302 157 HB1 ALA 23 HB1 ALA 23 7.797 2.825 6.587 158 HB2 ALA 23 HB2 ALA 23 6.263 3.592 6.184 159 HB3 ALA 23 HB3 ALA 23 7.508 3.410 4.949 160 H TYR 24 H TYR 24 4.163 2.639 5.573 161 HA TYR 24 HA TYR 24 3.772 2.702 2.688 162 HB2 TYR 24 HB2 TYR 24 2.411 0.829 4.455 163 HB3 TYR 24 HB3 TYR 24 1.280 1.864 3.592 164 HD1 TYR 24 HD2 TYR 24 1.224 1.846 1.122 165 HD2 TYR 24 HD1 TYR 24 3.647 -0.882 3.311 166 HE1 TYR 24 HE2 TYR 24 1.443 0.443 -0.883 167 HE2 TYR 24 HE1 TYR 24 3.872 -2.296 1.308 168 HH TYR 24 HH TYR 24 2.994 -1.224 -1.796 169 H ALA 25 H ALA 25 2.654 4.412 2.025 170 HA ALA 25 HA ALA 25 1.225 6.015 4.036 171 HB1 ALA 25 HB1 ALA 25 3.017 7.069 1.848 172 HB2 ALA 25 HB2 ALA 25 3.395 7.046 3.572 173 HB3 ALA 25 HB3 ALA 25 2.072 8.047 2.971 174 H PHE 26 H PHE 26 -0.837 5.988 3.495 175 HA PHE 26 HA PHE 26 -1.587 5.710 0.680 176 HB2 PHE 26 HB2 PHE 26 -3.066 5.307 3.268 177 HB3 PHE 26 HB3 PHE 26 -3.940 5.492 1.751 178 HD1 PHE 26 HD1 PHE 26 -1.253 3.467 3.348 179 HD2 PHE 26 HD2 PHE 26 -4.318 3.655 0.399 180 HE1 PHE 26 HE1 PHE 26 -0.923 1.079 2.854 181 HE2 PHE 26 HE2 PHE 26 -3.992 1.268 -0.098 182 HZ PHE 26 HZ PHE 26 -2.294 -0.024 1.129 183 H VAL 27 H VAL 27 -1.359 7.650 -0.203 184 HA VAL 27 HA VAL 27 -2.694 9.940 1.017 185 HB VAL 27 HB VAL 27 -0.456 10.441 0.330 186 HG11 VAL 27 HG11 VAL 27 -0.089 8.655 -1.266 187 HG12 VAL 27 HG12 VAL 27 0.326 10.211 -1.982 188 HG13 VAL 27 HG13 VAL 27 -1.193 9.420 -2.410 189 HG21 VAL 27 HG21 VAL 27 -0.818 12.270 -1.262 190 HG22 VAL 27 HG22 VAL 27 -2.090 12.205 -0.042 191 HG23 VAL 27 HG23 VAL 27 -2.397 11.597 -1.669 192 H LYS 28 H LYS 28 -4.687 10.307 0.484 193 HA LYS 28 HA LYS 28 -5.747 9.237 -2.033 194 HB2 LYS 28 HB2 LYS 28 -6.771 8.456 0.076 195 HB3 LYS 28 HB3 LYS 28 -7.149 10.114 0.506 196 HG2 LYS 28 HG2 LYS 28 -8.764 10.280 -1.224 197 HG3 LYS 28 HG3 LYS 28 -8.248 8.749 -1.936 198 HD2 LYS 28 HD2 LYS 28 -9.000 7.552 0.044 199 HD3 LYS 28 HD3 LYS 28 -9.466 9.072 0.808 200 HE2 LYS 28 HE2 LYS 28 -10.621 8.117 -1.800 201 HE3 LYS 28 HE3 LYS 28 -11.334 7.725 -0.237 202 HZ1 LYS 28 HZ1 LYS 28 -11.664 10.049 0.197 203 HZ2 LYS 28 HZ2 LYS 28 -12.361 9.670 -1.302 204 HZ3 LYS 28 HZ3 LYS 28 -10.874 10.492 -1.233 205 H ASP 29 H ASP 29 -5.430 10.760 -3.527 206 HA ASP 29 HA ASP 29 -5.369 12.748 -4.618 207 HB2 ASP 29 HB2 ASP 29 -7.821 12.104 -4.552 208 HB3 ASP 29 HB3 ASP 29 -8.005 13.273 -3.249 209 H GLY 30 H GLY 30 -3.772 12.957 -2.477 210 HA2 GLY 30 HA2 GLY 30 -2.565 14.889 -1.815 211 HA3 GLY 30 HA3 GLY 30 -4.059 15.809 -1.866 212 H LYS 31 H LYS 31 -5.309 13.433 -0.301 213 HA LYS 31 HA LYS 31 -4.608 14.552 2.314 214 HB2 LYS 31 HB2 LYS 31 -6.753 12.511 1.798 215 HB3 LYS 31 HB3 LYS 31 -6.624 13.642 3.132 216 HG2 LYS 31 HG2 LYS 31 -7.214 14.370 0.275 217 HG3 LYS 31 HG3 LYS 31 -8.397 14.247 1.577 218 HD2 LYS 31 HD2 LYS 31 -7.216 16.040 2.787 219 HD3 LYS 31 HD3 LYS 31 -6.088 16.181 1.435 220 HE2 LYS 31 HE2 LYS 31 -7.927 16.761 -0.056 221 HE3 LYS 31 HE3 LYS 31 -9.071 16.588 1.274 222 HZ1 LYS 31 HZ1 LYS 31 -7.846 18.394 2.420 223 HZ2 LYS 31 HZ2 LYS 31 -8.595 18.883 0.983 224 HZ3 LYS 31 HZ3 LYS 31 -6.917 18.617 1.020 225 H VAL 32 H VAL 32 -3.344 13.482 3.710 226 HA VAL 32 HA VAL 32 -2.563 10.745 3.093 227 HB VAL 32 HB VAL 32 -1.615 12.533 5.344 228 HG11 VAL 32 HG11 VAL 32 0.241 10.938 5.539 229 HG12 VAL 32 HG12 VAL 32 -0.509 9.924 4.305 230 HG13 VAL 32 HG13 VAL 32 -1.315 10.174 5.854 231 HG21 VAL 32 HG21 VAL 32 -0.336 11.916 2.681 232 HG22 VAL 32 HG22 VAL 32 0.404 12.844 3.986 233 HG23 VAL 32 HG23 VAL 32 -1.031 13.462 3.171 234 H HIS 33 H HIS 33 -4.177 9.371 3.625 235 HA HIS 33 HA HIS 33 -5.747 9.844 6.019 236 HB2 HIS 33 HB2 HIS 33 -6.716 9.065 3.798 237 HB3 HIS 33 HB3 HIS 33 -5.995 7.497 4.139 238 HD1 HIS 33 HD1 HIS 33 -7.771 5.957 4.924 239 HD2 HIS 33 HD2 HIS 33 -8.323 9.812 6.383 240 HE1 HIS 33 HE1 HIS 33 -9.835 5.850 6.356 241 HE2 HIS 33 HE2 HIS 33 -10.092 8.165 7.319 242 H TYR 34 H TYR 34 -3.226 7.689 4.916 243 HA TYR 34 HA TYR 34 -2.929 6.774 7.659 244 HB2 TYR 34 HB2 TYR 34 -3.596 5.001 5.368 245 HB3 TYR 34 HB3 TYR 34 -2.426 4.412 6.546 246 HD1 TYR 34 HD2 TYR 34 -3.168 4.784 9.065 247 HD2 TYR 34 HD1 TYR 34 -5.837 4.518 5.760 248 HE1 TYR 34 HE2 TYR 34 -4.986 4.166 10.595 249 HE2 TYR 34 HE1 TYR 34 -7.669 3.904 7.285 250 HH TYR 34 HH TYR 34 -7.429 4.261 10.666 251 H GLU 35 H GLU 35 -0.927 6.345 8.269 252 HA GLU 35 HA GLU 35 1.272 6.117 6.411 253 HB2 GLU 35 HB2 GLU 35 1.220 8.499 6.500 254 HB3 GLU 35 HB3 GLU 35 0.877 8.503 8.223 255 HG2 GLU 35 HG2 GLU 35 3.142 9.217 7.811 256 HG3 GLU 35 HG3 GLU 35 3.134 7.679 8.672 257 H ASP 36 H ASP 36 2.551 4.575 7.244 258 HA ASP 36 HA ASP 36 3.065 4.381 10.064 259 HB2 ASP 36 HB2 ASP 36 0.713 3.251 9.406 260 HB3 ASP 36 HB3 ASP 36 1.785 1.900 9.050 261 H ALA 37 H ALA 37 4.369 2.360 10.541 262 HA ALA 37 HA ALA 37 5.873 1.339 8.269 263 HB1 ALA 37 HB1 ALA 37 6.968 3.484 8.722 264 HB2 ALA 37 HB2 ALA 37 8.027 2.130 9.114 265 HB3 ALA 37 HB3 ALA 37 7.207 3.011 10.403 266 H ASP 38 H ASP 38 7.294 -0.421 8.877 267 HA ASP 38 HA ASP 38 7.126 -1.361 11.633 268 HB2 ASP 38 HB2 ASP 38 5.185 -2.245 10.017 269 HB3 ASP 38 HB3 ASP 38 6.443 -3.387 9.560 270 H VAL 39 H VAL 39 8.471 -3.376 11.890 271 HA VAL 39 HA VAL 39 10.797 -3.216 10.106 272 HB VAL 39 HB VAL 39 12.057 -4.239 11.990 273 HG11 VAL 39 HG11 VAL 39 12.126 -1.840 11.625 274 HG12 VAL 39 HG12 VAL 39 12.178 -2.202 13.350 275 HG13 VAL 39 HG13 VAL 39 10.680 -1.634 12.613 276 HG21 VAL 39 HG21 VAL 39 9.515 -3.757 13.528 277 HG22 VAL 39 HG22 VAL 39 11.067 -4.198 14.241 278 HG23 VAL 39 HG23 VAL 39 10.240 -5.322 13.163 279 H GLY 40 H GLY 40 11.884 -5.228 9.607 280 HA2 GLY 40 HA2 GLY 40 12.003 -7.546 9.344 281 HA3 GLY 40 HA3 GLY 40 10.452 -7.696 10.160 282 H LYS 41 H LYS 41 11.832 -6.377 7.171 283 HA LYS 41 HA LYS 41 9.337 -6.850 5.779 284 HB2 LYS 41 HB2 LYS 41 10.752 -4.830 5.339 285 HB3 LYS 41 HB3 LYS 41 11.976 -5.887 4.652 286 HG2 LYS 41 HG2 LYS 41 9.221 -6.039 3.549 287 HG3 LYS 41 HG3 LYS 41 10.202 -4.629 3.155 288 HD2 LYS 41 HD2 LYS 41 11.958 -6.089 2.286 289 HD3 LYS 41 HD3 LYS 41 11.002 -7.507 2.716 290 HE2 LYS 41 HE2 LYS 41 9.250 -6.782 1.158 291 HE3 LYS 41 HE3 LYS 41 10.224 -5.377 0.722 292 HZ1 LYS 41 HZ1 LYS 41 11.922 -6.840 -0.135 293 HZ2 LYS 41 HZ2 LYS 41 10.440 -7.188 -0.886 294 HZ3 LYS 41 HZ3 LYS 41 11.040 -8.210 0.333 295 H ASN 42 H ASN 42 9.131 -9.065 5.915 296 HA ASN 42 HA ASN 42 10.757 -10.542 3.980 297 HB2 ASN 42 HB2 ASN 42 10.111 -11.581 6.756 298 HB3 ASN 42 HB3 ASN 42 10.911 -12.491 5.481 299 HD21 ASN 42 HD21 ASN 42 11.262 -10.206 8.002 300 HD22 ASN 42 HD22 ASN 42 12.974 -9.987 7.872 301 HA PRO 43 HA PRO 43 6.796 -12.139 2.704 302 HB2 PRO 43 HB2 PRO 43 7.534 -14.691 1.977 303 HB3 PRO 43 HB3 PRO 43 7.739 -13.262 0.957 304 HG2 PRO 43 HG2 PRO 43 9.734 -14.666 2.679 305 HG3 PRO 43 HG3 PRO 43 9.943 -13.946 1.072 306 HD2 PRO 43 HD2 PRO 43 10.791 -12.719 3.316 307 HD3 PRO 43 HD3 PRO 43 10.171 -11.812 1.921 308 H ALA 44 H ALA 44 8.761 -13.843 5.043 309 HA ALA 44 HA ALA 44 6.838 -15.702 5.945 310 HB1 ALA 44 HB1 ALA 44 8.231 -15.902 7.933 311 HB2 ALA 44 HB2 ALA 44 9.104 -14.436 7.485 312 HB3 ALA 44 HB3 ALA 44 9.224 -15.876 6.474 313 H ALA 45 H ALA 45 7.258 -12.315 6.493 314 HA ALA 45 HA ALA 45 5.547 -12.299 8.850 315 HB1 ALA 45 HB1 ALA 45 7.554 -10.901 8.846 316 HB2 ALA 45 HB2 ALA 45 6.089 -9.926 8.986 317 HB3 ALA 45 HB3 ALA 45 6.942 -10.023 7.444 318 H ALA 46 H ALA 46 4.844 -12.667 5.788 319 HA ALA 46 HA ALA 46 3.414 -10.573 4.770 320 HB1 ALA 46 HB1 ALA 46 2.662 -13.472 4.503 321 HB2 ALA 46 HB2 ALA 46 3.911 -12.648 3.569 322 HB3 ALA 46 HB3 ALA 46 2.223 -12.163 3.404 323 H THR 47 H THR 47 2.151 -13.008 7.049 324 HA THR 47 HA THR 47 -0.440 -11.670 7.004 325 HB THR 47 HB THR 47 0.312 -14.127 8.599 326 HG1 THR 47 HG1 THR 47 -0.800 -15.174 6.703 327 HG21 THR 47 HG21 THR 47 -1.774 -13.059 9.267 328 HG22 THR 47 HG22 THR 47 -2.104 -14.589 8.452 329 HG23 THR 47 HG23 THR 47 -2.331 -13.065 7.595 330 H MET 48 H MET 48 2.371 -12.024 9.040 331 HA MET 48 HA MET 48 0.980 -10.824 11.312 332 HB2 MET 48 HB2 MET 48 3.115 -11.305 12.557 333 HB3 MET 48 HB3 MET 48 2.272 -12.721 11.945 334 HG2 MET 48 HG2 MET 48 3.829 -12.871 10.086 335 HG3 MET 48 HG3 MET 48 4.658 -11.421 10.647 336 HE1 MET 48 HE1 MET 48 3.194 -14.320 12.873 337 HE2 MET 48 HE2 MET 48 4.587 -15.395 12.998 338 HE3 MET 48 HE3 MET 48 3.786 -15.165 11.443 339 H ARG 49 H ARG 49 0.857 -8.895 9.795 340 HA ARG 49 HA ARG 49 3.192 -7.155 10.276 341 HB2 ARG 49 HB2 ARG 49 1.075 -7.016 8.117 342 HB3 ARG 49 HB3 ARG 49 2.256 -5.749 8.411 343 HG2 ARG 49 HG2 ARG 49 4.062 -7.225 7.831 344 HG3 ARG 49 HG3 ARG 49 2.951 -8.588 7.690 345 HD2 ARG 49 HD2 ARG 49 1.825 -7.491 5.825 346 HD3 ARG 49 HD3 ARG 49 2.905 -6.105 5.979 347 HE ARG 49 HE ARG 49 4.711 -7.895 5.533 348 HH11 ARG 49 HH11 ARG 49 1.502 -7.854 4.131 349 HH12 ARG 49 HH12 ARG 49 1.996 -8.649 2.666 350 HH21 ARG 49 HH21 ARG 49 5.364 -8.937 3.584 351 HH22 ARG 49 HH22 ARG 49 4.183 -9.260 2.353 352 H ASN 50 H ASN 50 2.890 -5.495 11.661 353 HA ASN 50 HA ASN 50 0.426 -5.262 13.068 354 HB2 ASN 50 HB2 ASN 50 2.791 -3.373 13.094 355 HB3 ASN 50 HB3 ASN 50 1.484 -3.406 14.273 356 HD21 ASN 50 HD21 ASN 50 4.425 -4.844 13.212 357 HD22 ASN 50 HD22 ASN 50 4.600 -5.959 14.531 358 H VAL 51 H VAL 51 2.028 -3.340 10.607 359 HA VAL 51 HA VAL 51 0.316 -1.130 10.578 360 HB VAL 51 HB VAL 51 1.827 -2.306 8.236 361 HG11 VAL 51 HG11 VAL 51 0.220 -0.661 7.500 362 HG12 VAL 51 HG12 VAL 51 1.847 0.012 7.397 363 HG13 VAL 51 HG13 VAL 51 0.783 0.477 8.724 364 HG21 VAL 51 HG21 VAL 51 3.284 -1.924 10.149 365 HG22 VAL 51 HG22 VAL 51 2.697 -0.266 10.273 366 HG23 VAL 51 HG23 VAL 51 3.620 -0.770 8.857 367 H ALA 52 H ALA 52 -0.051 -4.314 9.217 368 HA ALA 52 HA ALA 52 -1.910 -3.807 7.191 369 HB1 ALA 52 HB1 ALA 52 -0.716 -5.920 7.404 370 HB2 ALA 52 HB2 ALA 52 -2.459 -6.181 7.331 371 HB3 ALA 52 HB3 ALA 52 -1.615 -6.290 8.875 372 H GLY 53 H GLY 53 -2.321 -3.889 10.633 373 HA2 GLY 53 HA2 GLY 53 -5.093 -4.399 10.768 374 HA3 GLY 53 HA3 GLY 53 -4.157 -3.509 11.962 375 H GLU 54 H GLU 54 -3.316 -1.332 10.706 376 HA GLU 54 HA GLU 54 -5.652 0.284 10.544 377 HB2 GLU 54 HB2 GLU 54 -2.712 0.797 10.183 378 HB3 GLU 54 HB3 GLU 54 -3.891 2.048 9.821 379 HG2 GLU 54 HG2 GLU 54 -2.910 2.230 12.079 380 HG3 GLU 54 HG3 GLU 54 -4.665 2.076 12.080 381 H ILE 55 H ILE 55 -3.441 -1.081 8.177 382 HA ILE 55 HA ILE 55 -4.272 0.423 5.945 383 HB ILE 55 HB ILE 55 -3.157 -2.387 6.001 384 HG12 ILE 55 HG12 ILE 55 -1.643 -0.845 7.083 385 HG13 ILE 55 HG13 ILE 55 -1.002 -1.251 5.495 386 HG21 ILE 55 HG21 ILE 55 -4.204 -1.912 3.867 387 HG22 ILE 55 HG22 ILE 55 -2.449 -1.938 3.694 388 HG23 ILE 55 HG23 ILE 55 -3.309 -0.398 3.741 389 HD11 ILE 55 HD11 ILE 55 -2.481 1.276 6.191 390 HD12 ILE 55 HD12 ILE 55 -1.793 0.872 4.617 391 HD13 ILE 55 HD13 ILE 55 -0.734 1.114 6.006 392 H ALA 56 H ALA 56 -5.637 -2.385 7.504 393 HA ALA 56 HA ALA 56 -7.327 -3.276 5.437 394 HB1 ALA 56 HB1 ALA 56 -6.810 -4.602 7.433 395 HB2 ALA 56 HB2 ALA 56 -8.547 -4.453 7.176 396 HB3 ALA 56 HB3 ALA 56 -7.753 -3.481 8.415 397 H ALA 57 H ALA 57 -7.629 -0.648 7.712 398 HA ALA 57 HA ALA 57 -10.438 -0.273 7.406 399 HB1 ALA 57 HB1 ALA 57 -9.222 0.549 9.362 400 HB2 ALA 57 HB2 ALA 57 -10.084 1.851 8.544 401 HB3 ALA 57 HB3 ALA 57 -8.340 1.684 8.336 402 H ALA 58 H ALA 58 -7.633 0.742 5.632 403 HA ALA 58 HA ALA 58 -8.953 2.819 4.157 404 HB1 ALA 58 HB1 ALA 58 -6.922 2.867 2.807 405 HB2 ALA 58 HB2 ALA 58 -6.361 1.385 3.585 406 HB3 ALA 58 HB3 ALA 58 -6.541 2.864 4.530 407 H LEU 59 H LEU 59 -8.725 -0.587 3.944 408 HA LEU 59 HA LEU 59 -8.997 -0.983 1.174 409 HB2 LEU 59 HB2 LEU 59 -8.372 -2.701 2.881 410 HB3 LEU 59 HB3 LEU 59 -10.047 -2.746 3.384 411 HG LEU 59 HG LEU 59 -10.691 -3.520 1.125 412 HD11 LEU 59 HD11 LEU 59 -8.906 -2.572 -0.186 413 HD12 LEU 59 HD12 LEU 59 -8.910 -4.324 -0.389 414 HD13 LEU 59 HD13 LEU 59 -7.714 -3.559 0.658 415 HD21 LEU 59 HD21 LEU 59 -8.573 -5.191 2.473 416 HD22 LEU 59 HD22 LEU 59 -9.802 -5.784 1.354 417 HD23 LEU 59 HD23 LEU 59 -10.277 -5.125 2.920 418 H TYR 60 H TYR 60 -11.322 -0.279 3.684 419 HA TYR 60 HA TYR 60 -13.686 -0.940 2.336 420 HB2 TYR 60 HB2 TYR 60 -13.108 1.130 4.451 421 HB3 TYR 60 HB3 TYR 60 -14.729 0.836 3.834 422 HD1 TYR 60 HD2 TYR 60 -15.811 -1.361 4.208 423 HD2 TYR 60 HD1 TYR 60 -12.091 -0.364 6.016 424 HE1 TYR 60 HE2 TYR 60 -16.112 -3.192 5.819 425 HE2 TYR 60 HE1 TYR 60 -12.383 -2.192 7.633 426 HH TYR 60 HH TYR 60 -14.658 -4.643 7.262 427 H ALA 61 H ALA 61 -11.676 1.933 2.192 428 HA ALA 61 HA ALA 61 -13.459 3.499 0.625 429 HB1 ALA 61 HB1 ALA 61 -11.517 4.927 0.199 430 HB2 ALA 61 HB2 ALA 61 -10.455 3.699 0.889 431 HB3 ALA 61 HB3 ALA 61 -11.640 4.514 1.910 432 H VAL 62 H VAL 62 -10.915 1.195 -0.093 433 HA VAL 62 HA VAL 62 -10.822 1.589 -2.898 434 HB VAL 62 HB VAL 62 -10.182 -0.922 -1.335 435 HG11 VAL 62 HG11 VAL 62 -10.402 -1.340 -3.719 436 HG12 VAL 62 HG12 VAL 62 -8.715 -1.469 -3.219 437 HG13 VAL 62 HG13 VAL 62 -9.275 -0.029 -4.069 438 HG21 VAL 62 HG21 VAL 62 -7.863 -0.126 -1.337 439 HG22 VAL 62 HG22 VAL 62 -8.931 0.979 -0.472 440 HG23 VAL 62 HG23 VAL 62 -8.383 1.376 -2.099 441 H LYS 63 H LYS 63 -12.702 -0.511 -0.783 442 HA LYS 63 HA LYS 63 -13.985 -2.021 -2.783 443 HB2 LYS 63 HB2 LYS 63 -13.912 -2.661 -0.398 444 HB3 LYS 63 HB3 LYS 63 -14.959 -1.307 -0.006 445 HG2 LYS 63 HG2 LYS 63 -15.938 -3.278 -1.999 446 HG3 LYS 63 HG3 LYS 63 -15.884 -3.765 -0.305 447 HD2 LYS 63 HD2 LYS 63 -17.263 -1.875 0.316 448 HD3 LYS 63 HD3 LYS 63 -17.245 -1.281 -1.346 449 HE2 LYS 63 HE2 LYS 63 -19.342 -2.440 -0.805 450 HE3 LYS 63 HE3 LYS 63 -18.448 -3.253 -2.087 451 HZ1 LYS 63 HZ1 LYS 63 -17.760 -4.941 -0.615 452 HZ2 LYS 63 HZ2 LYS 63 -19.416 -4.722 -0.319 453 HZ3 LYS 63 HZ3 LYS 63 -18.271 -4.080 0.755 454 H LYS 64 H LYS 64 -14.806 1.066 -1.253 455 HA LYS 64 HA LYS 64 -17.266 1.331 -2.695 456 HB2 LYS 64 HB2 LYS 64 -15.624 3.279 -1.092 457 HB3 LYS 64 HB3 LYS 64 -17.079 3.768 -1.951 458 HG2 LYS 64 HG2 LYS 64 -18.284 1.951 -0.670 459 HG3 LYS 64 HG3 LYS 64 -16.833 1.824 0.326 460 HD2 LYS 64 HD2 LYS 64 -17.042 4.116 1.020 461 HD3 LYS 64 HD3 LYS 64 -18.375 4.381 -0.105 462 HE2 LYS 64 HE2 LYS 64 -19.689 2.683 1.140 463 HE3 LYS 64 HE3 LYS 64 -18.375 2.577 2.310 464 HZ1 LYS 64 HZ1 LYS 64 -19.917 5.039 1.684 465 HZ2 LYS 64 HZ2 LYS 64 -18.681 4.904 2.837 466 HZ3 LYS 64 HZ3 LYS 64 -20.140 4.065 3.054 467 H ALA 65 H ALA 65 -13.941 2.172 -3.301 468 HA ALA 65 HA ALA 65 -14.302 4.055 -5.340 469 HB1 ALA 65 HB1 ALA 65 -12.142 3.616 -4.265 470 HB2 ALA 65 HB2 ALA 65 -12.031 3.522 -6.024 471 HB3 ALA 65 HB3 ALA 65 -12.073 2.044 -5.062 472 H SER 66 H SER 66 -14.326 0.536 -5.413 473 HA SER 66 HA SER 66 -14.401 0.172 -8.201 474 HB2 SER 66 HB2 SER 66 -14.021 -1.658 -6.564 475 HB3 SER 66 HB3 SER 66 -15.700 -1.524 -6.048 476 HG SER 66 HG SER 66 -14.672 -2.410 -8.535 477 H GLN 67 H GLN 67 -16.895 0.865 -5.831 478 HA GLN 67 HA GLN 67 -19.109 0.479 -7.579 479 HB2 GLN 67 HB2 GLN 67 -18.822 1.874 -4.916 480 HB3 GLN 67 HB3 GLN 67 -20.355 1.610 -5.729 481 HG2 GLN 67 HG2 GLN 67 -20.153 -0.750 -5.523 482 HG3 GLN 67 HG3 GLN 67 -18.489 -0.609 -4.952 483 HE21 GLN 67 HE21 GLN 67 -18.101 0.023 -2.847 484 HE22 GLN 67 HE22 GLN 67 -19.340 0.064 -1.633 485 H LEU 68 H LEU 68 -17.432 3.333 -6.284 486 HA LEU 68 HA LEU 68 -19.066 5.229 -7.628 487 HB2 LEU 68 HB2 LEU 68 -16.448 5.342 -6.194 488 HB3 LEU 68 HB3 LEU 68 -16.932 6.709 -7.177 489 HG LEU 68 HG LEU 68 -18.982 6.946 -5.826 490 HD11 LEU 68 HD11 LEU 68 -17.796 4.747 -4.140 491 HD12 LEU 68 HD12 LEU 68 -19.266 4.636 -5.109 492 HD13 LEU 68 HD13 LEU 68 -19.205 5.721 -3.721 493 HD21 LEU 68 HD21 LEU 68 -17.895 7.792 -3.809 494 HD22 LEU 68 HD22 LEU 68 -16.985 8.219 -5.259 495 HD23 LEU 68 HD23 LEU 68 -16.431 6.902 -4.226 496 H GLY 69 H GLY 69 -16.255 3.419 -8.572 497 HA2 GLY 69 HA2 GLY 69 -15.730 3.011 -10.835 498 HA3 GLY 69 HA3 GLY 69 -16.589 4.479 -11.276 499 H VAL 70 H VAL 70 -14.540 4.980 -8.645 500 HA VAL 70 HA VAL 70 -12.713 6.481 -10.331 501 HB VAL 70 HB VAL 70 -11.724 7.278 -8.178 502 HG11 VAL 70 HG11 VAL 70 -14.709 7.605 -8.440 503 HG12 VAL 70 HG12 VAL 70 -13.485 8.537 -9.302 504 HG13 VAL 70 HG13 VAL 70 -13.626 8.676 -7.549 505 HG21 VAL 70 HG21 VAL 70 -12.259 5.338 -6.787 506 HG22 VAL 70 HG22 VAL 70 -13.978 5.704 -6.932 507 HG23 VAL 70 HG23 VAL 70 -12.909 6.822 -6.088 508 H LYS 71 H LYS 71 -10.414 6.233 -10.218 509 HA LYS 71 HA LYS 71 -9.665 3.427 -9.701 510 HB2 LYS 71 HB2 LYS 71 -8.453 5.231 -11.801 511 HB3 LYS 71 HB3 LYS 71 -8.242 3.495 -11.626 512 HG2 LYS 71 HG2 LYS 71 -10.788 4.905 -12.399 513 HG3 LYS 71 HG3 LYS 71 -9.721 4.005 -13.480 514 HD2 LYS 71 HD2 LYS 71 -10.199 1.954 -12.329 515 HD3 LYS 71 HD3 LYS 71 -11.116 2.814 -11.090 516 HE2 LYS 71 HE2 LYS 71 -12.759 3.482 -12.774 517 HE3 LYS 71 HE3 LYS 71 -11.836 2.633 -14.015 518 HZ1 LYS 71 HZ1 LYS 71 -13.781 1.390 -13.077 519 HZ2 LYS 71 HZ2 LYS 71 -12.933 1.289 -11.611 520 HZ3 LYS 71 HZ3 LYS 71 -12.299 0.564 -13.009 521 H ILE 72 H ILE 72 -7.693 2.994 -8.758 522 HA ILE 72 HA ILE 72 -6.086 5.341 -7.959 523 HB ILE 72 HB ILE 72 -5.670 4.439 -5.786 524 HG12 ILE 72 HG12 ILE 72 -7.300 2.030 -6.617 525 HG13 ILE 72 HG13 ILE 72 -5.561 2.056 -6.377 526 HG21 ILE 72 HG21 ILE 72 -8.613 4.183 -6.385 527 HG22 ILE 72 HG22 ILE 72 -7.753 5.684 -6.041 528 HG23 ILE 72 HG23 ILE 72 -7.894 4.445 -4.796 529 HD11 ILE 72 HD11 ILE 72 -7.615 2.579 -4.244 530 HD12 ILE 72 HD12 ILE 72 -5.866 2.516 -4.022 531 HD13 ILE 72 HD13 ILE 72 -6.750 1.062 -4.489 532 H ARG 73 H ARG 73 -3.832 4.981 -7.719 533 HA ARG 73 HA ARG 73 -2.824 2.566 -9.057 534 HB2 ARG 73 HB2 ARG 73 -1.428 5.136 -8.282 535 HB3 ARG 73 HB3 ARG 73 -0.589 3.732 -8.919 536 HG2 ARG 73 HG2 ARG 73 -0.836 5.032 -10.790 537 HG3 ARG 73 HG3 ARG 73 -2.240 3.970 -10.907 538 HD2 ARG 73 HD2 ARG 73 -3.699 5.664 -10.139 539 HD3 ARG 73 HD3 ARG 73 -2.357 6.680 -9.608 540 HE ARG 73 HE ARG 73 -3.001 6.123 -12.435 541 HH11 ARG 73 HH11 ARG 73 -1.641 8.143 -9.933 542 HH12 ARG 73 HH12 ARG 73 -1.435 9.526 -10.974 543 HH21 ARG 73 HH21 ARG 73 -2.682 7.907 -13.833 544 HH22 ARG 73 HH22 ARG 73 -2.028 9.383 -13.191 545 H ILE 74 H ILE 74 -1.730 1.006 -7.962 546 HA ILE 74 HA ILE 74 -1.198 1.545 -5.114 547 HB ILE 74 HB ILE 74 -2.013 -1.049 -6.425 548 HG12 ILE 74 HG12 ILE 74 -3.845 0.504 -5.886 549 HG13 ILE 74 HG13 ILE 74 -3.908 -0.939 -4.878 550 HG21 ILE 74 HG21 ILE 74 -1.813 -2.082 -4.207 551 HG22 ILE 74 HG22 ILE 74 -1.105 -0.589 -3.585 552 HG23 ILE 74 HG23 ILE 74 -0.255 -1.523 -4.817 553 HD11 ILE 74 HD11 ILE 74 -2.868 1.765 -4.059 554 HD12 ILE 74 HD12 ILE 74 -2.875 0.323 -3.045 555 HD13 ILE 74 HD13 ILE 74 -4.400 1.035 -3.574 556 H LEU 75 H LEU 75 0.905 1.860 -4.834 557 HA LEU 75 HA LEU 75 2.882 0.472 -6.418 558 HB2 LEU 75 HB2 LEU 75 3.022 2.850 -5.339 559 HB3 LEU 75 HB3 LEU 75 3.468 1.982 -3.887 560 HG LEU 75 HG LEU 75 5.415 2.866 -5.137 561 HD11 LEU 75 HD11 LEU 75 6.764 0.856 -5.088 562 HD12 LEU 75 HD12 LEU 75 5.308 -0.141 -5.060 563 HD13 LEU 75 HD13 LEU 75 5.682 0.914 -3.697 564 HD21 LEU 75 HD21 LEU 75 4.517 2.661 -7.391 565 HD22 LEU 75 HD22 LEU 75 4.567 0.903 -7.262 566 HD23 LEU 75 HD23 LEU 75 6.066 1.833 -7.248 567 H HIS 76 H HIS 76 2.796 -1.690 -6.042 568 HA HIS 76 HA HIS 76 3.130 -2.615 -3.269 569 HB2 HIS 76 HB2 HIS 76 0.716 -2.719 -4.289 570 HB3 HIS 76 HB3 HIS 76 1.350 -4.090 -5.188 571 HD1 HIS 76 HD1 HIS 76 1.663 -6.285 -3.921 572 HD2 HIS 76 HD2 HIS 76 0.459 -3.123 -1.507 573 HE1 HIS 76 HE1 HIS 76 0.991 -7.322 -1.729 574 HE2 HIS 76 HE2 HIS 76 0.016 -5.414 -0.396 575 H ASP 77 H ASP 77 3.781 -4.984 -3.250 576 HA ASP 77 HA ASP 77 5.987 -5.452 -4.944 577 HB2 ASP 77 HB2 ASP 77 5.819 -6.383 -2.672 578 HB3 ASP 77 HB3 ASP 77 4.477 -7.400 -3.188 579 H TYR 78 H TYR 78 6.276 -7.052 -6.541 580 HA TYR 78 HA TYR 78 3.977 -7.110 -8.309 581 HB2 TYR 78 HB2 TYR 78 5.841 -7.969 -9.928 582 HB3 TYR 78 HB3 TYR 78 5.817 -6.277 -9.441 583 HD1 TYR 78 HD1 TYR 78 7.484 -9.531 -8.890 584 HD2 TYR 78 HD2 TYR 78 7.587 -5.345 -8.144 585 HE1 TYR 78 HE1 TYR 78 9.770 -9.747 -8.010 586 HE2 TYR 78 HE2 TYR 78 9.872 -5.549 -7.260 587 HH TYR 78 HH TYR 78 11.299 -7.275 -6.254 588 H ALA 79 H ALA 79 5.155 -9.263 -6.078 589 HA ALA 79 HA ALA 79 4.781 -11.640 -7.717 590 HB1 ALA 79 HB1 ALA 79 5.316 -11.391 -4.760 591 HB2 ALA 79 HB2 ALA 79 6.536 -11.612 -6.013 592 HB3 ALA 79 HB3 ALA 79 5.352 -12.881 -5.700 593 H GLY 80 H GLY 80 2.905 -9.594 -5.739 594 HA2 GLY 80 HA2 GLY 80 1.044 -11.510 -4.749 595 HA3 GLY 80 HA3 GLY 80 0.829 -9.767 -4.764 596 H ILE 81 H ILE 81 1.109 -9.479 -7.637 597 HA ILE 81 HA ILE 81 -1.590 -9.626 -8.307 598 HB ILE 81 HB ILE 81 -0.163 -8.059 -9.445 599 HG12 ILE 81 HG12 ILE 81 -1.228 -10.120 -11.391 600 HG13 ILE 81 HG13 ILE 81 -2.169 -8.839 -10.637 601 HG21 ILE 81 HG21 ILE 81 1.513 -8.745 -11.090 602 HG22 ILE 81 HG22 ILE 81 1.217 -10.436 -10.686 603 HG23 ILE 81 HG23 ILE 81 1.899 -9.347 -9.478 604 HD11 ILE 81 HD11 ILE 81 0.125 -8.458 -12.544 605 HD12 ILE 81 HD12 ILE 81 -0.814 -7.170 -11.793 606 HD13 ILE 81 HD13 ILE 81 -1.588 -8.282 -12.924 607 H ALA 82 H ALA 82 1.043 -11.852 -9.129 608 HA ALA 82 HA ALA 82 -0.618 -13.509 -10.782 609 HB1 ALA 82 HB1 ALA 82 1.301 -14.983 -10.904 610 HB2 ALA 82 HB2 ALA 82 2.083 -14.114 -9.586 611 HB3 ALA 82 HB3 ALA 82 1.816 -13.310 -11.132 612 H PHE 83 H PHE 83 0.040 -13.249 -7.434 613 HA PHE 83 HA PHE 83 -0.455 -15.974 -6.726 614 HB2 PHE 83 HB2 PHE 83 0.776 -13.998 -5.449 615 HB3 PHE 83 HB3 PHE 83 -0.828 -13.742 -4.777 616 HD1 PHE 83 HD1 PHE 83 2.029 -16.013 -4.966 617 HD2 PHE 83 HD2 PHE 83 -1.797 -15.329 -3.236 618 HE1 PHE 83 HE1 PHE 83 2.466 -17.780 -3.314 619 HE2 PHE 83 HE2 PHE 83 -1.363 -17.095 -1.577 620 HZ PHE 83 HZ PHE 83 0.768 -18.323 -1.614 621 H TRP 84 H TRP 84 -2.355 -12.988 -6.748 622 HA TRP 84 HA TRP 84 -4.713 -14.143 -5.660 623 HB2 TRP 84 HB2 TRP 84 -4.228 -11.615 -7.230 624 HB3 TRP 84 HB3 TRP 84 -5.821 -12.071 -6.645 625 HD1 TRP 84 HD1 TRP 84 -2.430 -10.814 -5.425 626 HE1 TRP 84 HE1 TRP 84 -2.681 -9.953 -3.015 627 HE3 TRP 84 HE3 TRP 84 -7.211 -12.365 -4.524 628 HZ2 TRP 84 HZ2 TRP 84 -4.665 -9.934 -0.998 629 HZ3 TRP 84 HZ3 TRP 84 -8.215 -11.887 -2.334 630 HH2 TRP 84 HH2 TRP 84 -6.968 -10.694 -0.603 631 H ALA 85 H ALA 85 -3.643 -13.501 -8.982 632 HA ALA 85 HA ALA 85 -6.188 -14.133 -10.130 633 HB1 ALA 85 HB1 ALA 85 -3.505 -13.847 -11.482 634 HB2 ALA 85 HB2 ALA 85 -4.640 -12.534 -11.163 635 HB3 ALA 85 HB3 ALA 85 -5.083 -13.833 -12.271 636 H THR 86 H THR 86 -3.807 -16.134 -8.903 637 HA THR 86 HA THR 86 -4.711 -18.329 -10.641 638 HB THR 86 HB THR 86 -2.720 -19.592 -9.762 639 HG1 THR 86 HG1 THR 86 -1.623 -17.096 -9.014 640 HG21 THR 86 HG21 THR 86 -1.087 -18.416 -11.190 641 HG22 THR 86 HG22 THR 86 -2.180 -17.035 -11.276 642 HG23 THR 86 HG23 THR 86 -2.659 -18.583 -11.972 643 H GLY 87 H GLY 87 -5.476 -16.928 -7.860 644 HA2 GLY 87 HA2 GLY 87 -6.895 -17.693 -6.192 645 HA3 GLY 87 HA3 GLY 87 -6.670 -19.330 -6.790 646 H GLU 88 H GLU 88 -5.626 -16.946 -4.528 647 HA GLU 88 HA GLU 88 -3.333 -18.354 -3.595 648 HB2 GLU 88 HB2 GLU 88 -3.565 -16.850 -1.585 649 HB3 GLU 88 HB3 GLU 88 -3.387 -16.035 -3.130 650 HG2 GLU 88 HG2 GLU 88 -5.761 -15.560 -3.188 651 HG3 GLU 88 HG3 GLU 88 -5.992 -16.452 -1.683 652 H TRP 89 H TRP 89 -6.731 -18.483 -2.924 653 HA TRP 89 HA TRP 89 -6.287 -20.407 -0.775 654 HB2 TRP 89 HB2 TRP 89 -8.865 -19.150 -1.744 655 HB3 TRP 89 HB3 TRP 89 -8.711 -20.240 -0.366 656 HD1 TRP 89 HD1 TRP 89 -8.939 -16.713 -1.054 657 HE1 TRP 89 HE1 TRP 89 -7.982 -15.285 0.868 658 HE3 TRP 89 HE3 TRP 89 -6.386 -20.354 1.449 659 HZ2 TRP 89 HZ2 TRP 89 -6.355 -15.664 3.137 660 HZ3 TRP 89 HZ3 TRP 89 -5.146 -19.740 3.482 661 HH2 TRP 89 HH2 TRP 89 -5.131 -17.441 4.308 662 H LYS 90 H LYS 90 -8.325 -22.163 -0.994 663 HA LYS 90 HA LYS 90 -7.242 -23.883 -2.969 664 HB2 LYS 90 HB2 LYS 90 -8.284 -24.546 -0.737 665 HB3 LYS 90 HB3 LYS 90 -9.844 -24.338 -1.520 666 HG2 LYS 90 HG2 LYS 90 -9.410 -26.625 -1.665 667 HG3 LYS 90 HG3 LYS 90 -9.008 -25.999 -3.265 668 HD2 LYS 90 HD2 LYS 90 -6.960 -26.426 -1.089 669 HD3 LYS 90 HD3 LYS 90 -7.366 -27.655 -2.285 670 HE2 LYS 90 HE2 LYS 90 -6.601 -26.255 -4.072 671 HE3 LYS 90 HE3 LYS 90 -6.391 -24.889 -2.978 672 HZ1 LYS 90 HZ1 LYS 90 -4.642 -26.086 -1.851 673 HZ2 LYS 90 HZ2 LYS 90 -4.287 -25.973 -3.507 674 HZ3 LYS 90 HZ3 LYS 90 -4.863 -27.433 -2.857 675 H ALA 91 H ALA 91 -7.598 -23.779 -5.047 676 HA ALA 91 HA ALA 91 -9.950 -22.514 -6.134 677 HB1 ALA 91 HB1 ALA 91 -8.893 -22.856 -8.283 678 HB2 ALA 91 HB2 ALA 91 -7.685 -23.911 -7.551 679 HB3 ALA 91 HB3 ALA 91 -7.728 -22.196 -7.136 680 H LYS 92 H LYS 92 -11.729 -23.461 -6.875 681 HA LYS 92 HA LYS 92 -12.115 -26.287 -6.715 682 HB2 LYS 92 HB2 LYS 92 -13.869 -24.397 -6.496 683 HB3 LYS 92 HB3 LYS 92 -13.860 -24.363 -8.253 684 HG2 LYS 92 HG2 LYS 92 -15.699 -25.703 -7.418 685 HG3 LYS 92 HG3 LYS 92 -14.549 -26.707 -8.305 686 HD2 LYS 92 HD2 LYS 92 -13.648 -27.600 -6.295 687 HD3 LYS 92 HD3 LYS 92 -14.499 -26.410 -5.307 688 HE2 LYS 92 HE2 LYS 92 -16.625 -27.406 -5.862 689 HE3 LYS 92 HE3 LYS 92 -15.848 -28.520 -6.988 690 HZ1 LYS 92 HZ1 LYS 92 -16.444 -29.394 -4.694 691 HZ2 LYS 92 HZ2 LYS 92 -15.134 -28.482 -4.115 692 HZ3 LYS 92 HZ3 LYS 92 -14.877 -29.712 -5.257 693 H ASN 93 H ASN 93 -12.641 -27.648 -8.571 694 HA ASN 93 HA ASN 93 -10.496 -27.891 -10.236 695 HB2 ASN 93 HB2 ASN 93 -13.288 -28.898 -10.805 696 HB3 ASN 93 HB3 ASN 93 -11.799 -29.523 -11.507 697 HD21 ASN 93 HD21 ASN 93 -10.427 -30.782 -10.261 698 HD22 ASN 93 HD22 ASN 93 -10.916 -31.441 -8.733 699 H GLU 94 H GLU 94 -13.624 -26.423 -11.151 700 HA GLU 94 HA GLU 94 -12.181 -25.188 -13.410 701 HB2 GLU 94 HB2 GLU 94 -13.807 -26.858 -14.198 702 HB3 GLU 94 HB3 GLU 94 -15.088 -26.018 -13.335 703 HG2 GLU 94 HG2 GLU 94 -14.735 -24.047 -14.746 704 HG3 GLU 94 HG3 GLU 94 -13.473 -24.912 -15.622 705 H PHE 95 H PHE 95 -14.760 -24.796 -11.027 706 HA PHE 95 HA PHE 95 -15.750 -22.341 -11.788 707 HB2 PHE 95 HB2 PHE 95 -15.504 -23.474 -8.998 708 HB3 PHE 95 HB3 PHE 95 -16.506 -22.093 -9.434 709 HD1 PHE 95 HD2 PHE 95 -18.433 -22.406 -10.960 710 HD2 PHE 95 HD1 PHE 95 -16.227 -25.691 -9.400 711 HE1 PHE 95 HE2 PHE 95 -20.284 -23.920 -11.540 712 HE2 PHE 95 HE1 PHE 95 -18.072 -27.212 -9.979 713 HZ PHE 95 HZ PHE 95 -20.103 -26.329 -11.050 714 H THR 96 H THR 96 -13.254 -22.822 -9.247 715 HA THR 96 HA THR 96 -12.842 -20.019 -8.978 716 HB THR 96 HB THR 96 -10.899 -22.142 -8.086 717 HG1 THR 96 HG1 THR 96 -13.386 -21.311 -6.965 718 HG21 THR 96 HG21 THR 96 -10.157 -19.816 -7.888 719 HG22 THR 96 HG22 THR 96 -10.433 -20.528 -6.298 720 HG23 THR 96 HG23 THR 96 -11.622 -19.421 -6.988 721 H GLN 97 H GLN 97 -11.172 -22.585 -10.745 722 HA GLN 97 HA GLN 97 -8.913 -21.222 -11.571 723 HB2 GLN 97 HB2 GLN 97 -10.565 -23.392 -12.839 724 HB3 GLN 97 HB3 GLN 97 -9.108 -22.781 -13.593 725 HG2 GLN 97 HG2 GLN 97 -9.250 -23.992 -10.848 726 HG3 GLN 97 HG3 GLN 97 -8.721 -24.834 -12.306 727 HE21 GLN 97 HE21 GLN 97 -6.734 -24.290 -13.234 728 HE22 GLN 97 HE22 GLN 97 -5.527 -23.408 -12.363 729 H ALA 98 H ALA 98 -12.147 -21.296 -13.008 730 HA ALA 98 HA ALA 98 -11.465 -19.576 -15.193 731 HB1 ALA 98 HB1 ALA 98 -13.319 -21.193 -15.306 732 HB2 ALA 98 HB2 ALA 98 -13.842 -19.549 -15.663 733 HB3 ALA 98 HB3 ALA 98 -14.189 -20.261 -14.089 734 H TYR 99 H TYR 99 -12.996 -19.145 -12.036 735 HA TYR 99 HA TYR 99 -13.810 -16.479 -12.405 736 HB2 TYR 99 HB2 TYR 99 -14.609 -18.036 -10.604 737 HB3 TYR 99 HB3 TYR 99 -13.074 -17.782 -9.780 738 HD1 TYR 99 HD2 TYR 99 -16.154 -16.087 -10.936 739 HD2 TYR 99 HD1 TYR 99 -12.713 -15.861 -8.444 740 HE1 TYR 99 HE2 TYR 99 -17.086 -14.094 -9.841 741 HE2 TYR 99 HE1 TYR 99 -13.638 -13.870 -7.336 742 HH TYR 99 HH TYR 99 -15.266 -12.060 -7.857 743 H ALA 100 H ALA 100 -10.826 -17.842 -11.062 744 HA ALA 100 HA ALA 100 -9.654 -15.356 -10.330 745 HB1 ALA 100 HB1 ALA 100 -8.329 -17.983 -10.994 746 HB2 ALA 100 HB2 ALA 100 -8.916 -17.494 -9.404 747 HB3 ALA 100 HB3 ALA 100 -7.578 -16.625 -10.159 748 H LYS 101 H LYS 101 -9.742 -17.227 -13.279 749 HA LYS 101 HA LYS 101 -7.705 -15.792 -14.652 750 HB2 LYS 101 HB2 LYS 101 -8.448 -18.070 -15.289 751 HB3 LYS 101 HB3 LYS 101 -10.005 -17.415 -15.767 752 HG2 LYS 101 HG2 LYS 101 -8.876 -17.657 -17.774 753 HG3 LYS 101 HG3 LYS 101 -8.664 -15.947 -17.396 754 HD2 LYS 101 HD2 LYS 101 -6.627 -18.059 -16.702 755 HD3 LYS 101 HD3 LYS 101 -6.607 -17.167 -18.222 756 HE2 LYS 101 HE2 LYS 101 -6.378 -15.068 -16.996 757 HE3 LYS 101 HE3 LYS 101 -6.442 -15.944 -15.465 758 HZ1 LYS 101 HZ1 LYS 101 -4.411 -17.086 -16.053 759 HZ2 LYS 101 HZ2 LYS 101 -4.166 -15.408 -16.128 760 HZ3 LYS 101 HZ3 LYS 101 -4.362 -16.302 -17.558 761 H LEU 102 H LEU 102 -11.171 -15.429 -14.284 762 HA LEU 102 HA LEU 102 -11.173 -13.167 -16.153 763 HB2 LEU 102 HB2 LEU 102 -13.478 -14.625 -14.858 764 HB3 LEU 102 HB3 LEU 102 -13.624 -13.334 -16.034 765 HG LEU 102 HG LEU 102 -12.423 -16.060 -16.534 766 HD11 LEU 102 HD11 LEU 102 -14.834 -16.132 -16.300 767 HD12 LEU 102 HD12 LEU 102 -14.373 -16.373 -17.985 768 HD13 LEU 102 HD13 LEU 102 -15.005 -14.814 -17.458 769 HD21 LEU 102 HD21 LEU 102 -12.314 -15.370 -18.873 770 HD22 LEU 102 HD22 LEU 102 -11.316 -14.332 -17.855 771 HD23 LEU 102 HD23 LEU 102 -12.883 -13.760 -18.431 772 H MET 103 H MET 103 -10.315 -13.382 -13.150 773 HA MET 103 HA MET 103 -12.095 -11.646 -11.763 774 HB2 MET 103 HB2 MET 103 -10.433 -13.253 -10.715 775 HB3 MET 103 HB3 MET 103 -9.177 -12.096 -11.132 776 HG2 MET 103 HG2 MET 103 -10.283 -10.403 -9.762 777 HG3 MET 103 HG3 MET 103 -11.534 -11.571 -9.337 778 HE1 MET 103 HE1 MET 103 -11.273 -11.431 -6.772 779 HE2 MET 103 HE2 MET 103 -10.165 -10.085 -7.033 780 HE3 MET 103 HE3 MET 103 -9.718 -11.393 -5.939 781 H ASN 104 H ASN 104 -9.284 -11.231 -13.763 782 HA ASN 104 HA ASN 104 -8.644 -8.556 -13.306 783 HB2 ASN 104 HB2 ASN 104 -7.320 -10.140 -14.685 784 HB3 ASN 104 HB3 ASN 104 -8.556 -10.062 -15.929 785 HD21 ASN 104 HD21 ASN 104 -5.937 -8.400 -14.387 786 HD22 ASN 104 HD22 ASN 104 -5.779 -7.136 -15.559 787 H GLN 105 H GLN 105 -11.203 -10.007 -15.174 788 HA GLN 105 HA GLN 105 -12.016 -7.862 -16.745 789 HB2 GLN 105 HB2 GLN 105 -12.713 -10.369 -16.665 790 HB3 GLN 105 HB3 GLN 105 -13.932 -9.824 -15.527 791 HG2 GLN 105 HG2 GLN 105 -13.679 -8.516 -18.190 792 HG3 GLN 105 HG3 GLN 105 -14.485 -10.070 -18.022 793 HE21 GLN 105 HE21 GLN 105 -14.650 -6.678 -17.381 794 HE22 GLN 105 HE22 GLN 105 -16.280 -6.656 -16.804 795 H TYR 106 H TYR 106 -13.069 -8.806 -13.468 796 HA TYR 106 HA TYR 106 -14.794 -6.486 -13.302 797 HB2 TYR 106 HB2 TYR 106 -15.526 -8.595 -12.272 798 HB3 TYR 106 HB3 TYR 106 -14.129 -8.559 -11.198 799 HD1 TYR 106 HD2 TYR 106 -17.287 -6.823 -12.044 800 HD2 TYR 106 HD1 TYR 106 -14.153 -7.270 -9.202 801 HE1 TYR 106 HE2 TYR 106 -18.556 -5.465 -10.434 802 HE2 TYR 106 HE1 TYR 106 -15.414 -5.912 -7.588 803 HH TYR 106 HH TYR 106 -17.196 -4.135 -7.681 804 H ARG 107 H ARG 107 -11.714 -7.567 -11.963 805 HA ARG 107 HA ARG 107 -11.459 -5.442 -10.096 806 HB2 ARG 107 HB2 ARG 107 -10.162 -7.434 -9.754 807 HB3 ARG 107 HB3 ARG 107 -9.420 -7.291 -11.339 808 HG2 ARG 107 HG2 ARG 107 -8.281 -5.240 -10.604 809 HG3 ARG 107 HG3 ARG 107 -9.003 -5.436 -9.006 810 HD2 ARG 107 HD2 ARG 107 -7.323 -7.577 -10.277 811 HD3 ARG 107 HD3 ARG 107 -6.610 -6.273 -9.330 812 HE ARG 107 HE ARG 107 -8.481 -7.246 -7.651 813 HH11 ARG 107 HH11 ARG 107 -6.011 -8.835 -9.555 814 HH12 ARG 107 HH12 ARG 107 -5.727 -10.082 -8.389 815 HH21 ARG 107 HH21 ARG 107 -8.085 -8.877 -6.079 816 HH22 ARG 107 HH22 ARG 107 -6.907 -10.108 -6.410 817 H GLY 108 H GLY 108 -11.342 -3.382 -10.645 818 HA2 GLY 108 HA2 GLY 108 -9.284 -2.559 -12.533 819 HA3 GLY 108 HA3 GLY 108 -10.934 -2.085 -12.919 820 H ILE 109 H ILE 109 -10.188 -2.341 -9.604 821 HA ILE 109 HA ILE 109 -10.722 0.436 -9.155 822 HB ILE 109 HB ILE 109 -9.552 -1.426 -7.102 823 HG12 ILE 109 HG12 ILE 109 -12.489 -1.250 -7.794 824 HG13 ILE 109 HG13 ILE 109 -11.439 -2.554 -8.341 825 HG21 ILE 109 HG21 ILE 109 -9.821 0.910 -6.483 826 HG22 ILE 109 HG22 ILE 109 -10.945 -0.102 -5.576 827 HG23 ILE 109 HG23 ILE 109 -11.523 0.852 -6.942 828 HD11 ILE 109 HD11 ILE 109 -12.728 -3.212 -6.395 829 HD12 ILE 109 HD12 ILE 109 -12.057 -1.864 -5.477 830 HD13 ILE 109 HD13 ILE 109 -11.006 -3.172 -6.019 831 H TYR 110 H TYR 110 -7.890 -1.627 -9.151 832 HA TYR 110 HA TYR 110 -6.189 0.723 -8.932 833 HB2 TYR 110 HB2 TYR 110 -4.742 -0.510 -7.272 834 HB3 TYR 110 HB3 TYR 110 -6.292 0.040 -6.650 835 HD1 TYR 110 HD1 TYR 110 -4.283 -2.889 -7.568 836 HD2 TYR 110 HD2 TYR 110 -8.020 -1.543 -6.045 837 HE1 TYR 110 HE1 TYR 110 -4.784 -5.166 -6.789 838 HE2 TYR 110 HE2 TYR 110 -8.532 -3.817 -5.269 839 HH TYR 110 HH TYR 110 -6.197 -6.265 -5.106 840 H SER 111 H SER 111 -4.163 0.495 -9.807 841 HA SER 111 HA SER 111 -3.352 -2.060 -10.917 842 HB2 SER 111 HB2 SER 111 -3.699 0.387 -12.675 843 HB3 SER 111 HB3 SER 111 -3.059 -1.176 -13.183 844 HG SER 111 HG SER 111 -5.385 -1.654 -12.052 845 H PHE 112 H PHE 112 -1.100 -1.888 -11.821 846 HA PHE 112 HA PHE 112 0.355 0.411 -10.746 847 HB2 PHE 112 HB2 PHE 112 2.134 -1.052 -9.879 848 HB3 PHE 112 HB3 PHE 112 0.599 -1.341 -9.072 849 HD1 PHE 112 HD2 PHE 112 -0.658 -3.407 -9.507 850 HD2 PHE 112 HD1 PHE 112 3.192 -2.737 -11.190 851 HE1 PHE 112 HE2 PHE 112 -0.465 -5.806 -10.010 852 HE2 PHE 112 HE1 PHE 112 3.392 -5.137 -11.694 853 HZ PHE 112 HZ PHE 112 1.564 -6.674 -11.105 854 H GLU 113 H GLU 113 2.086 1.063 -11.902 855 HA GLU 113 HA GLU 113 2.997 -0.532 -14.167 856 HB2 GLU 113 HB2 GLU 113 1.112 1.312 -14.657 857 HB3 GLU 113 HB3 GLU 113 2.513 2.371 -14.656 858 HG2 GLU 113 HG2 GLU 113 2.437 -0.104 -16.337 859 HG3 GLU 113 HG3 GLU 113 1.699 1.398 -16.880 860 H LYS 114 H LYS 114 5.183 -0.308 -14.466 861 HA LYS 114 HA LYS 114 6.586 0.903 -12.300 862 HB2 LYS 114 HB2 LYS 114 7.299 -1.211 -13.425 863 HB3 LYS 114 HB3 LYS 114 7.762 -0.258 -14.827 864 HG2 LYS 114 HG2 LYS 114 9.672 -0.823 -13.395 865 HG3 LYS 114 HG3 LYS 114 9.422 0.922 -13.527 866 HD2 LYS 114 HD2 LYS 114 8.227 0.880 -11.367 867 HD3 LYS 114 HD3 LYS 114 8.564 -0.847 -11.234 868 HE2 LYS 114 HE2 LYS 114 10.938 -0.415 -11.175 869 HE3 LYS 114 HE3 LYS 114 10.661 1.308 -11.437 870 HZ1 LYS 114 HZ1 LYS 114 9.767 -0.249 -9.065 871 HZ2 LYS 114 HZ2 LYS 114 9.491 1.403 -9.323 872 HZ3 LYS 114 HZ3 LYS 114 11.072 0.834 -9.107 873 H VAL 115 H VAL 115 6.146 3.083 -12.399 874 HA VAL 115 HA VAL 115 7.574 4.539 -14.525 875 HB VAL 115 HB VAL 115 5.172 5.606 -13.039 876 HG11 VAL 115 HG11 VAL 115 5.148 7.287 -14.816 877 HG12 VAL 115 HG12 VAL 115 6.581 6.551 -15.531 878 HG13 VAL 115 HG13 VAL 115 6.676 7.293 -13.936 879 HG21 VAL 115 HG21 VAL 115 4.452 3.698 -14.373 880 HG22 VAL 115 HG22 VAL 115 5.231 4.386 -15.798 881 HG23 VAL 115 HG23 VAL 115 3.855 5.210 -15.061 882 H LYS 116 H LYS 116 9.464 4.923 -13.414 883 HA LYS 116 HA LYS 116 9.426 5.964 -10.724 884 HB2 LYS 116 HB2 LYS 116 11.315 4.631 -11.999 885 HB3 LYS 116 HB3 LYS 116 11.800 6.230 -12.539 886 HG2 LYS 116 HG2 LYS 116 11.539 5.369 -9.662 887 HG3 LYS 116 HG3 LYS 116 13.048 5.467 -10.566 888 HD2 LYS 116 HD2 LYS 116 12.693 7.881 -10.871 889 HD3 LYS 116 HD3 LYS 116 11.198 7.768 -9.942 890 HE2 LYS 116 HE2 LYS 116 12.978 8.588 -8.530 891 HE3 LYS 116 HE3 LYS 116 12.489 6.981 -8.002 892 HZ1 LYS 116 HZ1 LYS 116 14.829 7.517 -9.747 893 HZ2 LYS 116 HZ2 LYS 116 14.404 6.035 -9.035 894 HZ3 LYS 116 HZ3 LYS 116 14.920 7.325 -8.065 895 H ALA 117 H ALA 117 8.032 7.715 -10.971 896 HA ALA 117 HA ALA 117 9.338 10.156 -11.871 897 HB1 ALA 117 HB1 ALA 117 7.362 10.903 -13.128 898 HB2 ALA 117 HB2 ALA 117 6.609 9.329 -12.867 899 HB3 ALA 117 HB3 ALA 117 8.076 9.456 -13.837 900 H HIS 118 H HIS 118 6.252 8.855 -10.638 901 HA HIS 118 HA HIS 118 5.964 11.050 -8.789 902 HB2 HIS 118 HB2 HIS 118 3.936 9.959 -8.039 903 HB3 HIS 118 HB3 HIS 118 3.982 9.932 -9.794 904 HD1 HIS 118 HD1 HIS 118 2.280 7.985 -7.962 905 HD2 HIS 118 HD2 HIS 118 5.916 7.083 -9.794 906 HE1 HIS 118 HE1 HIS 118 2.340 5.477 -8.176 907 HE2 HIS 118 HE2 HIS 118 4.449 4.980 -9.456 908 H SER 119 H SER 119 8.185 8.911 -8.818 909 HA SER 119 HA SER 119 8.016 7.958 -6.065 910 HB2 SER 119 HB2 SER 119 10.165 7.343 -8.099 911 HB3 SER 119 HB3 SER 119 9.746 6.428 -6.649 912 HG SER 119 HG SER 119 8.306 5.396 -7.764 913 H GLY 120 H GLY 120 8.756 10.735 -7.344 914 HA2 GLY 120 HA2 GLY 120 10.945 11.238 -5.441 915 HA3 GLY 120 HA3 GLY 120 11.066 11.836 -7.091 916 H ASN 121 H ASN 121 8.112 11.681 -5.229 917 HA ASN 121 HA ASN 121 7.739 14.550 -5.636 918 HB2 ASN 121 HB2 ASN 121 5.971 12.899 -6.295 919 HB3 ASN 121 HB3 ASN 121 5.794 12.469 -4.598 920 HD21 ASN 121 HD21 ASN 121 3.634 13.075 -4.643 921 HD22 ASN 121 HD22 ASN 121 3.152 14.739 -4.656 922 H GLU 122 H GLU 122 6.650 15.736 -3.783 923 HA GLU 122 HA GLU 122 8.378 15.899 -1.620 924 HB2 GLU 122 HB2 GLU 122 6.781 17.655 -2.430 925 HB3 GLU 122 HB3 GLU 122 5.488 16.761 -1.644 926 HG2 GLU 122 HG2 GLU 122 6.161 18.567 -0.237 927 HG3 GLU 122 HG3 GLU 122 6.637 17.044 0.513 928 H PHE 123 H PHE 123 5.431 14.045 -1.979 929 HA PHE 123 HA PHE 123 5.064 13.384 0.747 930 HB2 PHE 123 HB2 PHE 123 4.097 12.052 -1.785 931 HB3 PHE 123 HB3 PHE 123 3.637 11.507 -0.175 932 HD1 PHE 123 HD2 PHE 123 3.401 14.298 -2.574 933 HD2 PHE 123 HD1 PHE 123 1.985 12.649 1.084 934 HE1 PHE 123 HE2 PHE 123 1.563 15.933 -2.553 935 HE2 PHE 123 HE1 PHE 123 0.143 14.280 1.110 936 HZ PHE 123 HZ PHE 123 -0.069 15.924 -0.708 937 H ASN 124 H ASN 124 7.135 12.095 -1.720 938 HA ASN 124 HA ASN 124 7.586 9.537 -0.622 939 HB2 ASN 124 HB2 ASN 124 9.294 11.292 -2.387 940 HB3 ASN 124 HB3 ASN 124 9.774 9.667 -1.909 941 HD21 ASN 124 HD21 ASN 124 8.788 7.923 -2.813 942 HD22 ASN 124 HD22 ASN 124 7.681 8.042 -4.140 943 H ASP 125 H ASP 125 9.073 12.674 -0.021 944 HA ASP 125 HA ASP 125 11.117 11.673 1.698 945 HB2 ASP 125 HB2 ASP 125 11.362 13.848 0.617 946 HB3 ASP 125 HB3 ASP 125 9.937 14.451 1.456 947 H TYR 126 H TYR 126 7.796 12.615 2.117 948 HA TYR 126 HA TYR 126 7.746 13.004 4.890 949 HB2 TYR 126 HB2 TYR 126 5.888 13.629 3.404 950 HB3 TYR 126 HB3 TYR 126 5.566 11.930 3.084 951 HD1 TYR 126 HD1 TYR 126 5.659 14.441 5.825 952 HD2 TYR 126 HD2 TYR 126 4.094 10.731 4.452 953 HE1 TYR 126 HE1 TYR 126 4.131 14.379 7.749 954 HE2 TYR 126 HE2 TYR 126 2.565 10.658 6.375 955 HH TYR 126 HH TYR 126 2.405 11.589 8.637 956 H VAL 127 H VAL 127 7.078 10.061 2.984 957 HA VAL 127 HA VAL 127 6.856 8.439 5.339 958 HB VAL 127 HB VAL 127 5.619 7.861 3.295 959 HG11 VAL 127 HG11 VAL 127 7.217 8.534 1.607 960 HG12 VAL 127 HG12 VAL 127 6.776 6.841 1.382 961 HG13 VAL 127 HG13 VAL 127 8.326 7.258 2.114 962 HG21 VAL 127 HG21 VAL 127 6.058 6.111 4.900 963 HG22 VAL 127 HG22 VAL 127 7.620 5.776 4.150 964 HG23 VAL 127 HG23 VAL 127 6.129 5.456 3.265 965 H ASP 128 H ASP 128 9.390 9.247 3.067 966 HA ASP 128 HA ASP 128 11.288 7.306 3.704 967 HB2 ASP 128 HB2 ASP 128 11.556 8.869 1.832 968 HB3 ASP 128 HB3 ASP 128 11.740 10.208 2.959 969 H MET 129 H MET 129 10.796 10.522 5.161 970 HA MET 129 HA MET 129 12.748 10.097 7.196 971 HB2 MET 129 HB2 MET 129 11.989 12.155 8.181 972 HB3 MET 129 HB3 MET 129 12.080 12.359 6.439 973 HG2 MET 129 HG2 MET 129 9.657 12.077 6.285 974 HG3 MET 129 HG3 MET 129 9.576 11.886 8.036 975 HE1 MET 129 HE1 MET 129 7.783 13.817 8.226 976 HE2 MET 129 HE2 MET 129 7.821 13.987 6.470 977 HE3 MET 129 HE3 MET 129 7.983 15.412 7.499 978 H LYS 130 H LYS 130 9.343 9.431 6.909 979 HA LYS 130 HA LYS 130 8.657 9.115 9.601 980 HB2 LYS 130 HB2 LYS 130 7.263 8.997 7.352 981 HB3 LYS 130 HB3 LYS 130 7.539 7.273 7.526 982 HG2 LYS 130 HG2 LYS 130 6.281 8.999 9.645 983 HG3 LYS 130 HG3 LYS 130 5.376 8.088 8.437 984 HD2 LYS 130 HD2 LYS 130 6.431 6.010 9.292 985 HD3 LYS 130 HD3 LYS 130 7.210 6.966 10.556 986 HE2 LYS 130 HE2 LYS 130 4.975 7.700 11.318 987 HE3 LYS 130 HE3 LYS 130 4.246 6.636 10.116 988 HZ1 LYS 130 HZ1 LYS 130 4.349 5.667 12.362 989 HZ2 LYS 130 HZ2 LYS 130 6.044 5.722 12.301 990 HZ3 LYS 130 HZ3 LYS 130 5.185 4.743 11.217 991 H ALA 131 H ALA 131 9.722 6.646 7.246 992 HA ALA 131 HA ALA 131 10.050 4.610 9.221 993 HB1 ALA 131 HB1 ALA 131 9.650 4.088 6.861 994 HB2 ALA 131 HB2 ALA 131 11.132 3.333 7.449 995 HB3 ALA 131 HB3 ALA 131 11.217 4.780 6.443 996 H LYS 132 H LYS 132 12.088 7.054 7.829 997 HA LYS 132 HA LYS 132 14.623 6.208 8.593 998 HB2 LYS 132 HB2 LYS 132 14.043 8.127 7.109 999 HB3 LYS 132 HB3 LYS 132 13.568 9.035 8.530 1000 HG2 LYS 132 HG2 LYS 132 15.835 9.009 9.353 1001 HG3 LYS 132 HG3 LYS 132 16.338 7.995 7.996 1002 HD2 LYS 132 HD2 LYS 132 15.245 10.804 7.838 1003 HD3 LYS 132 HD3 LYS 132 16.911 10.303 7.532 1004 HE2 LYS 132 HE2 LYS 132 16.214 9.010 5.617 1005 HE3 LYS 132 HE3 LYS 132 14.521 9.349 5.960 1006 HZ1 LYS 132 HZ1 LYS 132 14.960 11.701 5.530 1007 HZ2 LYS 132 HZ2 LYS 132 15.319 10.737 4.186 1008 HZ3 LYS 132 HZ3 LYS 132 16.577 11.339 5.158 1009 H SER 133 H SER 133 12.116 7.819 10.457 1010 HA SER 133 HA SER 133 13.706 8.532 12.682 1011 HB2 SER 133 HB2 SER 133 10.732 7.978 12.561 1012 HB3 SER 133 HB3 SER 133 11.568 8.843 13.851 1013 HG SER 133 HG SER 133 11.593 9.657 11.126 1014 H ALA 134 H ALA 134 12.032 5.599 11.772 1015 HA ALA 134 HA ALA 134 12.329 4.322 14.333 1016 HB1 ALA 134 HB1 ALA 134 11.623 3.154 11.639 1017 HB2 ALA 134 HB2 ALA 134 10.483 3.701 12.868 1018 HB3 ALA 134 HB3 ALA 134 11.517 2.309 13.183 1019 H LEU 135 H LEU 135 14.455 5.074 11.900 1020 HA LEU 135 HA LEU 135 16.127 2.701 12.248 1021 HB2 LEU 135 HB2 LEU 135 16.440 5.076 10.408 1022 HB3 LEU 135 HB3 LEU 135 17.481 3.664 10.428 1023 HG LEU 135 HG LEU 135 14.536 3.618 9.752 1024 HD11 LEU 135 HD11 LEU 135 15.274 3.261 7.446 1025 HD12 LEU 135 HD12 LEU 135 16.949 3.497 7.946 1026 HD13 LEU 135 HD13 LEU 135 15.797 4.828 8.062 1027 HD21 LEU 135 HD21 LEU 135 15.021 1.343 8.962 1028 HD22 LEU 135 HD22 LEU 135 15.325 1.523 10.690 1029 HD23 LEU 135 HD23 LEU 135 16.675 1.500 9.554 1030 H GLY 136 H GLY 136 15.671 5.651 13.679 1031 HA2 GLY 136 HA2 GLY 136 16.942 6.269 15.599 1032 HA3 GLY 136 HA3 GLY 136 18.352 5.524 14.864 1033 H ILE 137 H ILE 137 17.099 7.102 12.372 1034 HA ILE 137 HA ILE 137 18.863 9.375 12.757 1035 HB ILE 137 HB ILE 137 17.164 8.671 10.357 1036 HG12 ILE 137 HG12 ILE 137 20.104 8.176 10.891 1037 HG13 ILE 137 HG13 ILE 137 18.847 6.946 10.868 1038 HG21 ILE 137 HG21 ILE 137 18.586 10.237 9.145 1039 HG22 ILE 137 HG22 ILE 137 19.461 10.609 10.629 1040 HG23 ILE 137 HG23 ILE 137 17.758 11.044 10.476 1041 HD11 ILE 137 HD11 ILE 137 18.459 7.351 8.514 1042 HD12 ILE 137 HD12 ILE 137 20.155 6.968 8.809 1043 HD13 ILE 137 HD13 ILE 137 19.664 8.637 8.519 1044 H ARG 138 H ARG 138 18.202 11.229 13.547 1045 HA ARG 138 HA ARG 138 16.909 12.930 14.287 1046 HB2 ARG 138 HB2 ARG 138 16.113 13.125 11.971 1047 HB3 ARG 138 HB3 ARG 138 14.892 11.899 12.276 1048 HG2 ARG 138 HG2 ARG 138 13.711 13.359 13.771 1049 HG3 ARG 138 HG3 ARG 138 15.005 14.558 13.692 1050 HD2 ARG 138 HD2 ARG 138 14.497 15.135 11.487 1051 HD3 ARG 138 HD3 ARG 138 13.573 13.659 11.217 1052 HE ARG 138 HE ARG 138 11.782 14.592 12.484 1053 HH11 ARG 138 HH11 ARG 138 14.381 16.859 11.855 1054 HH12 ARG 138 HH12 ARG 138 13.372 18.259 12.074 1055 HH21 ARG 138 HH21 ARG 138 10.470 16.408 12.760 1056 HH22 ARG 138 HH22 ARG 138 11.148 18.004 12.621 1057 H ASP 139 H ASP 139 17.136 10.918 15.902 1058 HA ASP 139 HA ASP 139 14.549 10.862 17.248 1059 HB2 ASP 139 HB2 ASP 139 14.184 8.657 17.019 1060 HB3 ASP 139 HB3 ASP 139 15.537 8.585 15.899 1061 H LEU 140 H LEU 140 14.775 10.271 19.555 1062 HA LEU 140 HA LEU 140 16.904 11.877 20.589 1063 HB2 LEU 140 HB2 LEU 140 14.505 11.848 21.379 1064 HB3 LEU 140 HB3 LEU 140 14.844 10.310 22.142 1065 HG LEU 140 HG LEU 140 14.872 12.409 23.609 1066 HD11 LEU 140 HD11 LEU 140 16.746 11.599 24.965 1067 HD12 LEU 140 HD12 LEU 140 17.257 10.570 23.626 1068 HD13 LEU 140 HD13 LEU 140 15.706 10.285 24.416 1069 HD21 LEU 140 HD21 LEU 140 17.542 12.745 22.253 1070 HD22 LEU 140 HD22 LEU 140 16.985 13.642 23.664 1071 HD23 LEU 140 HD23 LEU 140 16.160 13.832 22.117 1072 H GLU 141 H GLU 141 16.324 8.412 20.411 1073 HA GLU 141 HA GLU 141 18.333 7.998 22.512 1074 HB2 GLU 141 HB2 GLU 141 15.969 6.986 22.605 1075 HB3 GLU 141 HB3 GLU 141 16.553 5.853 21.395 1076 HG2 GLU 141 HG2 GLU 141 18.036 4.852 22.849 1077 HG3 GLU 141 HG3 GLU 141 18.088 6.250 23.923 1078 H HIS 142 H HIS 142 18.595 8.459 19.434 1079 HA HIS 142 HA HIS 142 19.989 6.260 18.388 1080 HB2 HIS 142 HB2 HIS 142 19.266 8.364 17.157 1081 HB3 HIS 142 HB3 HIS 142 20.659 9.164 17.872 1082 HD1 HIS 142 HD1 HIS 142 22.341 9.417 16.091 1083 HD2 HIS 142 HD2 HIS 142 20.479 5.704 15.943 1084 HE1 HIS 142 HE1 HIS 142 23.432 8.186 14.188 1085 HE2 HIS 142 HE2 HIS 142 22.136 6.034 13.985 1086 H HIS 143 H HIS 143 22.106 5.568 18.606 1087 HA HIS 143 HA HIS 143 23.994 5.093 19.774 1088 HB2 HIS 143 HB2 HIS 143 24.609 7.454 18.971 1089 HB3 HIS 143 HB3 HIS 143 24.129 8.017 20.563 1090 HD1 HIS 143 HD1 HIS 143 27.037 7.070 18.752 1091 HD2 HIS 143 HD2 HIS 143 25.738 6.518 22.665 1092 HE1 HIS 143 HE1 HIS 143 29.106 6.576 20.091 1093 HE2 HIS 143 HE2 HIS 143 28.315 6.366 22.478 1094 H HIS 144 H HIS 144 23.763 7.583 22.107 1095 HA HIS 144 HA HIS 144 23.509 7.345 24.408 1096 HB2 HIS 144 HB2 HIS 144 20.768 7.218 23.165 1097 HB3 HIS 144 HB3 HIS 144 21.026 7.462 24.888 1098 HD1 HIS 144 HD1 HIS 144 21.223 9.195 21.591 1099 HD2 HIS 144 HD2 HIS 144 22.052 9.997 25.590 1100 HE1 HIS 144 HE1 HIS 144 21.522 11.689 21.736 1101 HE2 HIS 144 HE2 HIS 144 21.970 12.166 24.168 1102 H HIS 145 H HIS 145 24.555 5.117 24.514 1103 HA HIS 145 HA HIS 145 22.543 3.171 25.448 1104 HB2 HIS 145 HB2 HIS 145 25.379 2.759 24.489 1105 HB3 HIS 145 HB3 HIS 145 24.453 1.509 25.310 1106 HD1 HIS 145 HD1 HIS 145 22.065 0.918 24.019 1107 HD2 HIS 145 HD2 HIS 145 25.091 2.719 21.803 1108 HE1 HIS 145 HE1 HIS 145 21.491 0.488 21.613 1109 HE2 HIS 145 HE2 HIS 145 23.431 1.416 20.309 1110 H HIS 146 H HIS 146 24.252 5.573 26.590 1111 HA HIS 146 HA HIS 146 24.907 6.256 28.645 1112 HB2 HIS 146 HB2 HIS 146 22.939 4.877 29.413 1113 HB3 HIS 146 HB3 HIS 146 24.054 3.546 29.686 1114 HD1 HIS 146 HD1 HIS 146 22.698 6.573 31.234 1115 HD2 HIS 146 HD2 HIS 146 25.960 4.061 31.823 1116 HE1 HIS 146 HE1 HIS 146 23.542 7.081 33.548 1117 HE2 HIS 146 HE2 HIS 146 25.324 5.358 33.970 1118 H HIS 147 H HIS 147 25.655 2.781 28.817 1119 HA HIS 147 HA HIS 147 28.494 3.518 29.093 1120 HB2 HIS 147 HB2 HIS 147 27.365 2.542 31.144 1121 HB3 HIS 147 HB3 HIS 147 27.165 1.051 30.233 1122 HD1 HIS 147 HD1 HIS 147 29.264 -0.404 29.859 1123 HD2 HIS 147 HD2 HIS 147 29.982 3.094 31.988 1124 HE1 HIS 147 HE1 HIS 147 31.566 -0.662 30.835 1125 HE2 HIS 147 HE2 HIS 147 31.879 1.363 32.298 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -12.519 16.689 2.779 2 H2 MET 1 H2 MET 1 -13.807 17.122 1.772 3 H3 MET 1 H3 MET 1 -12.738 15.899 1.294 4 HA MET 1 HA MET 1 -13.450 14.495 3.087 5 HB2 MET 1 HB2 MET 1 -15.300 15.090 4.523 6 HB3 MET 1 HB3 MET 1 -14.040 16.302 4.673 7 HG2 MET 1 HG2 MET 1 -15.297 17.828 3.283 8 HG3 MET 1 HG3 MET 1 -16.528 16.600 3.006 9 HE1 MET 1 HE1 MET 1 -17.287 19.490 3.987 10 HE2 MET 1 HE2 MET 1 -18.439 19.137 5.274 11 HE3 MET 1 HE3 MET 1 -18.477 18.200 3.780 12 H ASP 2 H ASP 2 -15.402 16.568 0.965 13 HA ASP 2 HA ASP 2 -16.749 14.121 0.033 14 HB2 ASP 2 HB2 ASP 2 -18.260 15.994 0.721 15 HB3 ASP 2 HB3 ASP 2 -17.535 16.994 -0.534 16 H ASP 3 H ASP 3 -15.103 13.346 -1.200 17 HA ASP 3 HA ASP 3 -14.272 15.022 -3.468 18 HB2 ASP 3 HB2 ASP 3 -12.572 13.146 -1.811 19 HB3 ASP 3 HB3 ASP 3 -12.054 13.850 -3.337 20 H ARG 4 H ARG 4 -15.503 14.172 -5.015 21 HA ARG 4 HA ARG 4 -15.834 11.297 -5.248 22 HB2 ARG 4 HB2 ARG 4 -17.046 13.643 -6.680 23 HB3 ARG 4 HB3 ARG 4 -17.290 11.994 -7.235 24 HG2 ARG 4 HG2 ARG 4 -18.365 11.411 -5.159 25 HG3 ARG 4 HG3 ARG 4 -18.033 13.018 -4.506 26 HD2 ARG 4 HD2 ARG 4 -19.493 14.051 -6.054 27 HD3 ARG 4 HD3 ARG 4 -19.626 12.581 -7.017 28 HE ARG 4 HE ARG 4 -20.928 11.610 -5.218 29 HH11 ARG 4 HH11 ARG 4 -20.414 15.078 -5.046 30 HH12 ARG 4 HH12 ARG 4 -21.850 15.365 -4.112 31 HH21 ARG 4 HH21 ARG 4 -22.790 11.990 -3.982 32 HH22 ARG 4 HH22 ARG 4 -23.201 13.609 -3.509 33 H THR 5 H THR 5 -14.047 13.831 -6.645 34 HA THR 5 HA THR 5 -13.266 12.114 -8.895 35 HB THR 5 HB THR 5 -12.242 14.308 -9.786 36 HG1 THR 5 HG1 THR 5 -13.772 15.203 -7.599 37 HG21 THR 5 HG21 THR 5 -14.384 14.961 -10.796 38 HG22 THR 5 HG22 THR 5 -15.237 13.976 -9.607 39 HG23 THR 5 HG23 THR 5 -14.173 13.210 -10.786 40 H GLU 6 H GLU 6 -11.406 11.169 -8.834 41 HA GLU 6 HA GLU 6 -9.266 10.608 -8.379 42 HB2 GLU 6 HB2 GLU 6 -8.551 12.823 -9.078 43 HB3 GLU 6 HB3 GLU 6 -8.983 13.493 -7.507 44 HG2 GLU 6 HG2 GLU 6 -7.289 11.929 -6.499 45 HG3 GLU 6 HG3 GLU 6 -6.763 11.567 -8.141 46 H TYR 7 H TYR 7 -9.467 9.112 -6.770 47 HA TYR 7 HA TYR 7 -9.580 10.042 -4.027 48 HB2 TYR 7 HB2 TYR 7 -10.597 7.832 -4.755 49 HB3 TYR 7 HB3 TYR 7 -8.951 7.230 -4.952 50 HD1 TYR 7 HD2 TYR 7 -11.317 8.640 -2.472 51 HD2 TYR 7 HD1 TYR 7 -7.719 6.455 -3.082 52 HE1 TYR 7 HE2 TYR 7 -11.233 8.124 -0.072 53 HE2 TYR 7 HE1 TYR 7 -7.624 5.934 -0.682 54 HH TYR 7 HH TYR 7 -10.237 6.396 1.403 55 H ASP 8 H ASP 8 -7.859 9.826 -2.561 56 HA ASP 8 HA ASP 8 -5.373 10.555 -3.786 57 HB2 ASP 8 HB2 ASP 8 -4.691 10.737 -1.291 58 HB3 ASP 8 HB3 ASP 8 -5.871 11.869 -1.938 59 H VAL 9 H VAL 9 -4.178 9.003 -4.607 60 HA VAL 9 HA VAL 9 -3.541 6.674 -2.929 61 HB VAL 9 HB VAL 9 -3.975 6.603 -5.921 62 HG11 VAL 9 HG11 VAL 9 -3.322 4.408 -3.958 63 HG12 VAL 9 HG12 VAL 9 -2.276 5.029 -5.235 64 HG13 VAL 9 HG13 VAL 9 -3.752 4.159 -5.650 65 HG21 VAL 9 HG21 VAL 9 -5.673 5.441 -3.711 66 HG22 VAL 9 HG22 VAL 9 -5.949 5.253 -5.442 67 HG23 VAL 9 HG23 VAL 9 -6.083 6.846 -4.696 68 H TYR 10 H TYR 10 -1.418 6.353 -2.659 69 HA TYR 10 HA TYR 10 0.449 6.884 -4.815 70 HB2 TYR 10 HB2 TYR 10 0.175 8.994 -3.276 71 HB3 TYR 10 HB3 TYR 10 1.127 8.060 -2.131 72 HD1 TYR 10 HD1 TYR 10 1.273 8.789 -5.794 73 HD2 TYR 10 HD2 TYR 10 3.360 8.645 -2.092 74 HE1 TYR 10 HE1 TYR 10 3.305 9.584 -6.921 75 HE2 TYR 10 HE2 TYR 10 5.407 9.439 -3.209 76 HH TYR 10 HH TYR 10 5.379 10.626 -6.477 77 H THR 11 H THR 11 2.213 5.456 -4.687 78 HA THR 11 HA THR 11 2.490 3.843 -2.282 79 HB THR 11 HB THR 11 0.672 2.738 -3.548 80 HG1 THR 11 HG1 THR 11 3.133 1.281 -3.518 81 HG21 THR 11 HG21 THR 11 1.191 1.621 -5.676 82 HG22 THR 11 HG22 THR 11 2.765 2.420 -5.697 83 HG23 THR 11 HG23 THR 11 1.286 3.379 -5.803 84 H ASP 12 H ASP 12 4.387 2.598 -2.209 85 HA ASP 12 HA ASP 12 6.365 3.260 -4.274 86 HB2 ASP 12 HB2 ASP 12 7.910 3.400 -2.633 87 HB3 ASP 12 HB3 ASP 12 6.565 3.363 -1.502 88 H GLY 13 H GLY 13 8.002 1.352 -4.543 89 HA2 GLY 13 HA2 GLY 13 7.015 -1.294 -4.183 90 HA3 GLY 13 HA3 GLY 13 6.791 -0.751 -5.842 91 H SER 14 H SER 14 9.435 0.024 -3.619 92 HA SER 14 HA SER 14 11.249 -1.358 -5.488 93 HB2 SER 14 HB2 SER 14 11.683 1.371 -4.254 94 HB3 SER 14 HB3 SER 14 12.831 0.510 -5.282 95 HG SER 14 HG SER 14 10.400 0.650 -6.455 96 H TYR 15 H TYR 15 12.146 -2.960 -4.420 97 HA TYR 15 HA TYR 15 12.436 -3.208 -1.664 98 HB2 TYR 15 HB2 TYR 15 14.153 -4.977 -2.245 99 HB3 TYR 15 HB3 TYR 15 12.580 -5.181 -3.009 100 HD1 TYR 15 HD1 TYR 15 12.309 -4.706 -5.421 101 HD2 TYR 15 HD2 TYR 15 16.128 -4.568 -3.549 102 HE1 TYR 15 HE1 TYR 15 13.385 -4.784 -7.633 103 HE2 TYR 15 HE2 TYR 15 17.215 -4.649 -5.750 104 HH TYR 15 HH TYR 15 15.489 -4.197 -8.688 105 H VAL 16 H VAL 16 13.749 -2.243 -0.264 106 HA VAL 16 HA VAL 16 15.967 -0.664 -1.352 107 HB VAL 16 HB VAL 16 14.260 0.620 -0.151 108 HG11 VAL 16 HG11 VAL 16 14.008 0.396 2.288 109 HG12 VAL 16 HG12 VAL 16 15.001 -1.062 2.238 110 HG13 VAL 16 HG13 VAL 16 13.445 -1.025 1.408 111 HG21 VAL 16 HG21 VAL 16 15.752 1.818 1.389 112 HG22 VAL 16 HG22 VAL 16 16.530 1.449 -0.148 113 HG23 VAL 16 HG23 VAL 16 16.909 0.491 1.284 114 H ASN 17 H ASN 17 17.985 -1.196 -0.944 115 HA ASN 17 HA ASN 17 19.835 -2.194 -0.122 116 HB2 ASN 17 HB2 ASN 17 18.182 -2.095 2.389 117 HB3 ASN 17 HB3 ASN 17 19.776 -2.845 2.379 118 HD21 ASN 17 HD21 ASN 17 18.008 0.124 2.197 119 HD22 ASN 17 HD22 ASN 17 19.369 1.184 2.307 120 H GLY 18 H GLY 18 17.727 -3.763 -1.387 121 HA2 GLY 18 HA2 GLY 18 17.868 -5.938 -2.176 122 HA3 GLY 18 HA3 GLY 18 19.032 -6.290 -0.911 123 H GLN 19 H GLN 19 16.254 -4.864 0.363 124 HA GLN 19 HA GLN 19 15.032 -7.496 0.822 125 HB2 GLN 19 HB2 GLN 19 14.430 -6.677 3.130 126 HB3 GLN 19 HB3 GLN 19 16.135 -7.017 2.865 127 HG2 GLN 19 HG2 GLN 19 16.545 -4.615 2.558 128 HG3 GLN 19 HG3 GLN 19 14.840 -4.302 2.883 129 HE21 GLN 19 HE21 GLN 19 15.380 -3.023 4.664 130 HE22 GLN 19 HE22 GLN 19 15.901 -3.714 6.159 131 H TYR 20 H TYR 20 12.751 -7.442 1.326 132 HA TYR 20 HA TYR 20 11.482 -5.350 -0.274 133 HB2 TYR 20 HB2 TYR 20 10.768 -8.157 0.437 134 HB3 TYR 20 HB3 TYR 20 9.476 -7.033 0.035 135 HD1 TYR 20 HD1 TYR 20 9.569 -5.867 -2.229 136 HD2 TYR 20 HD2 TYR 20 12.017 -9.207 -1.251 137 HE1 TYR 20 HE1 TYR 20 9.925 -6.299 -4.624 138 HE2 TYR 20 HE2 TYR 20 12.384 -9.644 -3.642 139 HH TYR 20 HH TYR 20 11.257 -9.205 -5.777 140 H ALA 21 H ALA 21 10.119 -3.944 0.474 141 HA ALA 21 HA ALA 21 8.592 -4.420 2.901 142 HB1 ALA 21 HB1 ALA 21 9.099 -2.156 3.764 143 HB2 ALA 21 HB2 ALA 21 10.300 -1.954 2.489 144 HB3 ALA 21 HB3 ALA 21 10.531 -3.185 3.731 145 H TRP 22 H TRP 22 6.821 -2.645 3.008 146 HA TRP 22 HA TRP 22 6.331 -1.496 0.375 147 HB2 TRP 22 HB2 TRP 22 4.053 -2.322 0.255 148 HB3 TRP 22 HB3 TRP 22 5.162 -3.679 0.400 149 HD1 TRP 22 HD1 TRP 22 5.386 -4.573 3.145 150 HE1 TRP 22 HE1 TRP 22 3.427 -4.992 4.768 151 HE3 TRP 22 HE3 TRP 22 1.799 -1.752 0.831 152 HZ2 TRP 22 HZ2 TRP 22 0.723 -4.244 5.014 153 HZ3 TRP 22 HZ3 TRP 22 -0.449 -1.667 1.824 154 HH2 TRP 22 HH2 TRP 22 -0.973 -2.887 3.871 155 H ALA 23 H ALA 23 5.664 0.515 0.476 156 HA ALA 23 HA ALA 23 4.315 1.419 2.942 157 HB1 ALA 23 HB1 ALA 23 6.280 2.945 1.232 158 HB2 ALA 23 HB2 ALA 23 6.559 2.340 2.866 159 HB3 ALA 23 HB3 ALA 23 5.375 3.618 2.589 160 H TYR 24 H TYR 24 2.458 2.536 2.675 161 HA TYR 24 HA TYR 24 1.748 3.331 -0.055 162 HB2 TYR 24 HB2 TYR 24 -0.522 2.555 0.237 163 HB3 TYR 24 HB3 TYR 24 0.579 1.221 0.548 164 HD1 TYR 24 HD2 TYR 24 1.098 0.684 3.021 165 HD2 TYR 24 HD1 TYR 24 -2.163 3.123 1.793 166 HE1 TYR 24 HE2 TYR 24 -0.010 0.284 5.178 167 HE2 TYR 24 HE1 TYR 24 -3.278 2.727 3.946 168 HH TYR 24 HH TYR 24 -1.710 1.404 6.611 169 H ALA 25 H ALA 25 0.680 5.228 -0.268 170 HA ALA 25 HA ALA 25 0.090 6.726 2.189 171 HB1 ALA 25 HB1 ALA 25 1.677 7.750 -0.166 172 HB2 ALA 25 HB2 ALA 25 2.298 7.431 1.455 173 HB3 ALA 25 HB3 ALA 25 1.131 8.726 1.197 174 H PHE 26 H PHE 26 -1.462 8.375 1.926 175 HA PHE 26 HA PHE 26 -2.799 8.398 -0.670 176 HB2 PHE 26 HB2 PHE 26 -4.894 8.899 0.975 177 HB3 PHE 26 HB3 PHE 26 -4.502 7.318 0.322 178 HD1 PHE 26 HD2 PHE 26 -3.300 5.671 1.727 179 HD2 PHE 26 HD1 PHE 26 -4.760 9.348 3.293 180 HE1 PHE 26 HE2 PHE 26 -3.136 4.759 4.002 181 HE2 PHE 26 HE1 PHE 26 -4.604 8.437 5.572 182 HZ PHE 26 HZ PHE 26 -3.793 6.139 5.927 183 H VAL 27 H VAL 27 -2.136 10.244 -1.443 184 HA VAL 27 HA VAL 27 -2.194 12.643 0.256 185 HB VAL 27 HB VAL 27 0.050 12.226 -0.444 186 HG11 VAL 27 HG11 VAL 27 -0.363 10.685 -2.269 187 HG12 VAL 27 HG12 VAL 27 0.701 11.987 -2.803 188 HG13 VAL 27 HG13 VAL 27 -1.003 11.996 -3.260 189 HG21 VAL 27 HG21 VAL 27 -0.651 14.563 -0.549 190 HG22 VAL 27 HG22 VAL 27 -1.120 14.352 -2.236 191 HG23 VAL 27 HG23 VAL 27 0.574 14.209 -1.767 192 H LYS 28 H LYS 28 -3.550 14.211 -0.239 193 HA LYS 28 HA LYS 28 -4.808 14.195 -2.901 194 HB2 LYS 28 HB2 LYS 28 -6.278 13.223 -1.106 195 HB3 LYS 28 HB3 LYS 28 -6.219 14.776 -0.288 196 HG2 LYS 28 HG2 LYS 28 -8.239 14.798 -1.453 197 HG3 LYS 28 HG3 LYS 28 -7.147 15.758 -2.451 198 HD2 LYS 28 HD2 LYS 28 -6.719 13.741 -3.830 199 HD3 LYS 28 HD3 LYS 28 -7.928 12.877 -2.877 200 HE2 LYS 28 HE2 LYS 28 -9.063 13.601 -4.808 201 HE3 LYS 28 HE3 LYS 28 -9.546 14.724 -3.537 202 HZ1 LYS 28 HZ1 LYS 28 -7.454 15.226 -5.591 203 HZ2 LYS 28 HZ2 LYS 28 -7.926 16.315 -4.371 204 HZ3 LYS 28 HZ3 LYS 28 -9.019 15.879 -5.594 205 H ASP 29 H ASP 29 -4.435 16.065 -3.905 206 HA ASP 29 HA ASP 29 -4.337 18.294 -4.333 207 HB2 ASP 29 HB2 ASP 29 -5.850 18.338 -1.737 208 HB3 ASP 29 HB3 ASP 29 -5.434 19.826 -2.581 209 H GLY 30 H GLY 30 -2.062 17.046 -3.019 210 HA2 GLY 30 HA2 GLY 30 0.017 18.178 -2.875 211 HA3 GLY 30 HA3 GLY 30 -0.824 19.600 -2.289 212 H LYS 31 H LYS 31 -2.067 17.092 -0.519 213 HA LYS 31 HA LYS 31 0.218 16.664 1.163 214 HB2 LYS 31 HB2 LYS 31 -0.956 17.427 3.242 215 HB3 LYS 31 HB3 LYS 31 -0.396 18.695 2.170 216 HG2 LYS 31 HG2 LYS 31 -2.482 19.432 2.812 217 HG3 LYS 31 HG3 LYS 31 -2.804 18.666 1.255 218 HD2 LYS 31 HD2 LYS 31 -3.024 16.641 3.183 219 HD3 LYS 31 HD3 LYS 31 -3.871 18.043 3.845 220 HE2 LYS 31 HE2 LYS 31 -4.297 16.910 1.092 221 HE3 LYS 31 HE3 LYS 31 -5.309 16.567 2.483 222 HZ1 LYS 31 HZ1 LYS 31 -4.889 19.222 1.216 223 HZ2 LYS 31 HZ2 LYS 31 -5.791 18.968 2.629 224 HZ3 LYS 31 HZ3 LYS 31 -6.307 18.291 1.162 225 H VAL 32 H VAL 32 -0.031 15.036 2.734 226 HA VAL 32 HA VAL 32 -1.781 12.949 1.764 227 HB VAL 32 HB VAL 32 0.607 12.524 2.250 228 HG11 VAL 32 HG11 VAL 32 1.390 12.363 4.558 229 HG12 VAL 32 HG12 VAL 32 -0.161 12.979 5.124 230 HG13 VAL 32 HG13 VAL 32 0.892 14.004 4.150 231 HG21 VAL 32 HG21 VAL 32 -1.306 10.953 3.963 232 HG22 VAL 32 HG22 VAL 32 0.313 10.432 3.503 233 HG23 VAL 32 HG23 VAL 32 -0.926 10.655 2.267 234 H HIS 33 H HIS 33 -3.308 11.804 3.062 235 HA HIS 33 HA HIS 33 -4.526 13.342 5.173 236 HB2 HIS 33 HB2 HIS 33 -5.106 10.600 4.050 237 HB3 HIS 33 HB3 HIS 33 -5.976 11.248 5.433 238 HD1 HIS 33 HD1 HIS 33 -7.142 10.530 2.533 239 HD2 HIS 33 HD2 HIS 33 -6.336 14.321 4.040 240 HE1 HIS 33 HE1 HIS 33 -8.652 12.088 1.278 241 HE2 HIS 33 HE2 HIS 33 -8.314 14.329 2.364 242 H TYR 34 H TYR 34 -3.125 10.063 5.080 243 HA TYR 34 HA TYR 34 -1.870 10.523 7.670 244 HB2 TYR 34 HB2 TYR 34 -3.723 8.183 7.140 245 HB3 TYR 34 HB3 TYR 34 -2.683 8.342 8.552 246 HD1 TYR 34 HD1 TYR 34 -3.137 10.185 10.196 247 HD2 TYR 34 HD2 TYR 34 -5.830 9.255 7.039 248 HE1 TYR 34 HE1 TYR 34 -4.925 11.393 11.372 249 HE2 TYR 34 HE2 TYR 34 -7.624 10.467 8.204 250 HH TYR 34 HH TYR 34 -7.021 12.507 10.885 251 H GLU 35 H GLU 35 -0.161 9.003 8.108 252 HA GLU 35 HA GLU 35 0.789 7.621 5.685 253 HB2 GLU 35 HB2 GLU 35 2.812 8.644 7.593 254 HB3 GLU 35 HB3 GLU 35 2.875 8.544 5.844 255 HG2 GLU 35 HG2 GLU 35 2.918 10.823 6.296 256 HG3 GLU 35 HG3 GLU 35 1.238 10.511 5.852 257 H ASP 36 H ASP 36 1.011 5.479 6.026 258 HA ASP 36 HA ASP 36 2.310 4.573 8.444 259 HB2 ASP 36 HB2 ASP 36 -0.312 4.624 8.752 260 HB3 ASP 36 HB3 ASP 36 -0.245 3.146 7.796 261 H ALA 37 H ALA 37 2.853 2.261 8.323 262 HA ALA 37 HA ALA 37 2.757 0.737 5.973 263 HB1 ALA 37 HB1 ALA 37 4.086 2.565 5.001 264 HB2 ALA 37 HB2 ALA 37 5.013 1.068 5.092 265 HB3 ALA 37 HB3 ALA 37 5.295 2.352 6.266 266 H ASP 38 H ASP 38 4.141 -1.179 6.159 267 HA ASP 38 HA ASP 38 5.680 -1.521 8.573 268 HB2 ASP 38 HB2 ASP 38 3.059 -1.922 8.987 269 HB3 ASP 38 HB3 ASP 38 3.482 -3.513 8.365 270 H VAL 39 H VAL 39 6.222 -4.030 8.744 271 HA VAL 39 HA VAL 39 7.135 -4.720 6.054 272 HB VAL 39 HB VAL 39 8.727 -6.240 7.240 273 HG11 VAL 39 HG11 VAL 39 9.431 -4.061 6.463 274 HG12 VAL 39 HG12 VAL 39 10.199 -4.429 8.009 275 HG13 VAL 39 HG13 VAL 39 8.832 -3.318 7.944 276 HG21 VAL 39 HG21 VAL 39 7.523 -6.555 9.325 277 HG22 VAL 39 HG22 VAL 39 7.683 -4.837 9.694 278 HG23 VAL 39 HG23 VAL 39 9.118 -5.863 9.640 279 H GLY 40 H GLY 40 6.451 -6.455 5.017 280 HA2 GLY 40 HA2 GLY 40 5.428 -8.474 4.583 281 HA3 GLY 40 HA3 GLY 40 5.479 -8.808 6.309 282 H LYS 41 H LYS 41 3.340 -9.766 5.753 283 HA LYS 41 HA LYS 41 1.290 -7.750 6.293 284 HB2 LYS 41 HB2 LYS 41 1.245 -9.759 4.068 285 HB3 LYS 41 HB3 LYS 41 -0.258 -9.238 4.819 286 HG2 LYS 41 HG2 LYS 41 0.422 -6.876 4.296 287 HG3 LYS 41 HG3 LYS 41 1.738 -7.554 3.333 288 HD2 LYS 41 HD2 LYS 41 0.197 -8.662 1.881 289 HD3 LYS 41 HD3 LYS 41 -1.163 -8.254 2.927 290 HE2 LYS 41 HE2 LYS 41 -0.732 -5.855 2.464 291 HE3 LYS 41 HE3 LYS 41 0.524 -6.338 1.325 292 HZ1 LYS 41 HZ1 LYS 41 -1.152 -7.514 0.029 293 HZ2 LYS 41 HZ2 LYS 41 -1.557 -5.872 0.201 294 HZ3 LYS 41 HZ3 LYS 41 -2.356 -7.037 1.127 295 H ASN 42 H ASN 42 0.690 -8.279 8.273 296 HA ASN 42 HA ASN 42 -0.241 -11.034 8.715 297 HB2 ASN 42 HB2 ASN 42 1.245 -9.257 10.666 298 HB3 ASN 42 HB3 ASN 42 0.398 -10.726 11.138 299 HD21 ASN 42 HD21 ASN 42 1.247 -12.721 10.571 300 HD22 ASN 42 HD22 ASN 42 2.868 -12.904 9.994 301 HA PRO 43 HA PRO 43 -4.144 -9.259 9.318 302 HB2 PRO 43 HB2 PRO 43 -5.113 -10.816 11.399 303 HB3 PRO 43 HB3 PRO 43 -5.139 -11.260 9.691 304 HG2 PRO 43 HG2 PRO 43 -3.217 -12.059 11.832 305 HG3 PRO 43 HG3 PRO 43 -3.873 -13.019 10.493 306 HD2 PRO 43 HD2 PRO 43 -1.382 -12.024 10.423 307 HD3 PRO 43 HD3 PRO 43 -2.382 -12.128 8.957 308 H ALA 44 H ALA 44 -2.636 -9.971 12.488 309 HA ALA 44 HA ALA 44 -4.109 -7.758 13.667 310 HB1 ALA 44 HB1 ALA 44 -3.977 -9.871 14.889 311 HB2 ALA 44 HB2 ALA 44 -3.229 -8.556 15.797 312 HB3 ALA 44 HB3 ALA 44 -2.220 -9.727 14.950 313 H ALA 45 H ALA 45 -0.856 -8.591 12.716 314 HA ALA 45 HA ALA 45 0.474 -6.569 14.184 315 HB1 ALA 45 HB1 ALA 45 2.393 -7.055 12.765 316 HB2 ALA 45 HB2 ALA 45 1.360 -7.986 11.678 317 HB3 ALA 45 HB3 ALA 45 1.624 -8.538 13.332 318 H ALA 46 H ALA 46 -0.972 -6.619 10.978 319 HA ALA 46 HA ALA 46 0.281 -4.200 10.109 320 HB1 ALA 46 HB1 ALA 46 -1.124 -4.380 8.148 321 HB2 ALA 46 HB2 ALA 46 -2.111 -5.608 8.937 322 HB3 ALA 46 HB3 ALA 46 -0.427 -5.952 8.540 323 H THR 47 H THR 47 -2.435 -4.835 12.088 324 HA THR 47 HA THR 47 -3.341 -2.061 11.688 325 HB THR 47 HB THR 47 -5.561 -2.924 12.635 326 HG1 THR 47 HG1 THR 47 -4.792 -5.434 11.610 327 HG21 THR 47 HG21 THR 47 -5.241 -2.290 10.281 328 HG22 THR 47 HG22 THR 47 -6.336 -3.660 10.445 329 HG23 THR 47 HG23 THR 47 -4.672 -3.922 9.925 330 H MET 48 H MET 48 -3.630 -4.610 14.114 331 HA MET 48 HA MET 48 -3.650 -4.666 16.361 332 HB2 MET 48 HB2 MET 48 -1.246 -4.680 15.734 333 HB3 MET 48 HB3 MET 48 -1.202 -2.940 15.976 334 HG2 MET 48 HG2 MET 48 -1.786 -3.259 18.334 335 HG3 MET 48 HG3 MET 48 -1.807 -5.004 18.087 336 HE1 MET 48 HE1 MET 48 1.964 -5.677 17.141 337 HE2 MET 48 HE2 MET 48 0.615 -5.350 16.053 338 HE3 MET 48 HE3 MET 48 0.395 -6.428 17.432 339 H ARG 49 H ARG 49 -2.188 -1.541 16.166 340 HA ARG 49 HA ARG 49 -4.480 -0.168 17.333 341 HB2 ARG 49 HB2 ARG 49 -1.817 -0.328 18.773 342 HB3 ARG 49 HB3 ARG 49 -3.148 0.724 19.227 343 HG2 ARG 49 HG2 ARG 49 -4.536 -1.273 19.656 344 HG3 ARG 49 HG3 ARG 49 -3.138 -2.285 19.285 345 HD2 ARG 49 HD2 ARG 49 -1.893 -1.195 21.106 346 HD3 ARG 49 HD3 ARG 49 -3.327 -0.248 21.498 347 HE ARG 49 HE ARG 49 -3.250 -3.198 21.672 348 HH11 ARG 49 HH11 ARG 49 -4.257 -0.071 22.894 349 HH12 ARG 49 HH12 ARG 49 -4.969 -0.733 24.337 350 HH21 ARG 49 HH21 ARG 49 -4.204 -4.063 23.538 351 HH22 ARG 49 HH22 ARG 49 -4.933 -3.003 24.714 352 H ASN 50 H ASN 50 -2.476 -0.263 15.020 353 HA ASN 50 HA ASN 50 -1.050 2.245 15.177 354 HB2 ASN 50 HB2 ASN 50 -1.364 0.221 12.945 355 HB3 ASN 50 HB3 ASN 50 -0.310 1.631 12.874 356 HD21 ASN 50 HD21 ASN 50 1.642 1.574 13.853 357 HD22 ASN 50 HD22 ASN 50 2.281 0.169 14.648 358 H VAL 51 H VAL 51 -1.207 3.606 13.043 359 HA VAL 51 HA VAL 51 -3.769 4.774 12.932 360 HB VAL 51 HB VAL 51 -1.562 4.991 10.876 361 HG11 VAL 51 HG11 VAL 51 -3.686 5.852 10.072 362 HG12 VAL 51 HG12 VAL 51 -2.556 7.173 10.363 363 HG13 VAL 51 HG13 VAL 51 -3.850 6.849 11.518 364 HG21 VAL 51 HG21 VAL 51 -0.810 6.963 12.104 365 HG22 VAL 51 HG22 VAL 51 -0.730 5.516 13.110 366 HG23 VAL 51 HG23 VAL 51 -2.040 6.674 13.333 367 H ALA 52 H ALA 52 -2.098 2.407 10.974 368 HA ALA 52 HA ALA 52 -3.870 2.136 8.850 369 HB1 ALA 52 HB1 ALA 52 -2.897 -0.064 8.531 370 HB2 ALA 52 HB2 ALA 52 -2.217 -0.016 10.157 371 HB3 ALA 52 HB3 ALA 52 -1.651 1.117 8.929 372 H GLY 53 H GLY 53 -4.366 1.316 12.148 373 HA2 GLY 53 HA2 GLY 53 -6.201 -0.813 11.877 374 HA3 GLY 53 HA3 GLY 53 -6.128 0.309 13.230 375 H GLU 54 H GLU 54 -6.816 2.670 12.302 376 HA GLU 54 HA GLU 54 -9.579 2.441 11.635 377 HB2 GLU 54 HB2 GLU 54 -7.695 4.737 12.050 378 HB3 GLU 54 HB3 GLU 54 -9.276 5.026 11.338 379 HG2 GLU 54 HG2 GLU 54 -9.258 5.418 13.751 380 HG3 GLU 54 HG3 GLU 54 -10.368 4.129 13.294 381 H ILE 55 H ILE 55 -6.639 3.060 9.866 382 HA ILE 55 HA ILE 55 -7.785 3.966 7.455 383 HB ILE 55 HB ILE 55 -5.184 2.496 7.914 384 HG12 ILE 55 HG12 ILE 55 -5.226 4.599 9.088 385 HG13 ILE 55 HG13 ILE 55 -4.208 4.782 7.664 386 HG21 ILE 55 HG21 ILE 55 -6.109 4.003 5.470 387 HG22 ILE 55 HG22 ILE 55 -5.851 2.262 5.590 388 HG23 ILE 55 HG23 ILE 55 -4.485 3.368 5.730 389 HD11 ILE 55 HD11 ILE 55 -5.606 6.733 8.008 390 HD12 ILE 55 HD12 ILE 55 -7.053 5.728 7.932 391 HD13 ILE 55 HD13 ILE 55 -6.033 5.915 6.506 392 H ALA 56 H ALA 56 -7.367 0.773 8.803 393 HA ALA 56 HA ALA 56 -7.677 -0.842 6.575 394 HB1 ALA 56 HB1 ALA 56 -8.519 -2.548 8.100 395 HB2 ALA 56 HB2 ALA 56 -8.791 -1.321 9.338 396 HB3 ALA 56 HB3 ALA 56 -7.150 -1.691 8.806 397 H ALA 57 H ALA 57 -10.027 1.174 8.149 398 HA ALA 57 HA ALA 57 -12.388 -0.075 7.226 399 HB1 ALA 57 HB1 ALA 57 -11.925 2.838 7.862 400 HB2 ALA 57 HB2 ALA 57 -12.394 1.592 9.018 401 HB3 ALA 57 HB3 ALA 57 -13.492 2.043 7.714 402 H ALA 58 H ALA 58 -10.030 1.941 5.670 403 HA ALA 58 HA ALA 58 -11.635 2.816 3.491 404 HB1 ALA 58 HB1 ALA 58 -9.536 3.407 2.416 405 HB2 ALA 58 HB2 ALA 58 -8.640 2.481 3.622 406 HB3 ALA 58 HB3 ALA 58 -9.532 3.925 4.102 407 H LEU 59 H LEU 59 -9.905 -0.112 4.224 408 HA LEU 59 HA LEU 59 -9.863 -1.211 1.607 409 HB2 LEU 59 HB2 LEU 59 -8.496 -2.068 3.472 410 HB3 LEU 59 HB3 LEU 59 -9.952 -2.612 4.283 411 HG LEU 59 HG LEU 59 -10.380 -4.157 2.371 412 HD11 LEU 59 HD11 LEU 59 -9.138 -2.975 0.653 413 HD12 LEU 59 HD12 LEU 59 -8.537 -4.623 0.828 414 HD13 LEU 59 HD13 LEU 59 -7.630 -3.275 1.515 415 HD21 LEU 59 HD21 LEU 59 -9.287 -4.908 4.434 416 HD22 LEU 59 HD22 LEU 59 -7.717 -4.503 3.741 417 HD23 LEU 59 HD23 LEU 59 -8.697 -5.780 3.018 418 H TYR 60 H TYR 60 -12.163 -1.295 4.267 419 HA TYR 60 HA TYR 60 -14.075 -2.920 2.890 420 HB2 TYR 60 HB2 TYR 60 -14.337 -1.143 5.330 421 HB3 TYR 60 HB3 TYR 60 -15.624 -2.182 4.721 422 HD1 TYR 60 HD2 TYR 60 -15.439 -4.616 4.881 423 HD2 TYR 60 HD1 TYR 60 -12.424 -2.075 6.478 424 HE1 TYR 60 HE2 TYR 60 -14.524 -6.513 6.153 425 HE2 TYR 60 HE1 TYR 60 -11.496 -3.963 7.750 426 HH TYR 60 HH TYR 60 -12.175 -6.117 8.629 427 H ALA 61 H ALA 61 -13.365 0.488 3.079 428 HA ALA 61 HA ALA 61 -15.699 1.441 1.805 429 HB1 ALA 61 HB1 ALA 61 -14.373 3.413 1.226 430 HB2 ALA 61 HB2 ALA 61 -12.894 2.565 1.680 431 HB3 ALA 61 HB3 ALA 61 -14.107 2.943 2.905 432 H VAL 62 H VAL 62 -12.686 0.060 0.593 433 HA VAL 62 HA VAL 62 -13.266 0.393 -2.173 434 HB VAL 62 HB VAL 62 -11.538 -1.714 -0.857 435 HG11 VAL 62 HG11 VAL 62 -11.588 -0.700 -3.700 436 HG12 VAL 62 HG12 VAL 62 -12.109 -2.294 -3.152 437 HG13 VAL 62 HG13 VAL 62 -10.410 -1.834 -3.039 438 HG21 VAL 62 HG21 VAL 62 -9.667 -0.205 -1.396 439 HG22 VAL 62 HG22 VAL 62 -10.791 0.498 -0.232 440 HG23 VAL 62 HG23 VAL 62 -10.827 1.015 -1.919 441 H LYS 63 H LYS 63 -13.905 -2.122 0.192 442 HA LYS 63 HA LYS 63 -15.075 -4.068 -1.412 443 HB2 LYS 63 HB2 LYS 63 -14.747 -3.604 1.315 444 HB3 LYS 63 HB3 LYS 63 -16.491 -3.663 1.109 445 HG2 LYS 63 HG2 LYS 63 -14.580 -5.801 0.197 446 HG3 LYS 63 HG3 LYS 63 -15.486 -5.833 1.710 447 HD2 LYS 63 HD2 LYS 63 -17.585 -5.702 0.376 448 HD3 LYS 63 HD3 LYS 63 -16.609 -5.839 -1.086 449 HE2 LYS 63 HE2 LYS 63 -15.775 -8.002 -0.351 450 HE3 LYS 63 HE3 LYS 63 -16.698 -7.865 1.144 451 HZ1 LYS 63 HZ1 LYS 63 -17.900 -9.243 -0.346 452 HZ2 LYS 63 HZ2 LYS 63 -17.771 -8.124 -1.612 453 HZ3 LYS 63 HZ3 LYS 63 -18.729 -7.768 -0.259 454 H LYS 64 H LYS 64 -16.485 -1.180 0.076 455 HA LYS 64 HA LYS 64 -19.081 -1.507 -1.053 456 HB2 LYS 64 HB2 LYS 64 -17.623 0.661 0.366 457 HB3 LYS 64 HB3 LYS 64 -18.979 1.146 -0.638 458 HG2 LYS 64 HG2 LYS 64 -19.722 0.859 1.621 459 HG3 LYS 64 HG3 LYS 64 -20.428 -0.402 0.612 460 HD2 LYS 64 HD2 LYS 64 -18.750 -1.987 1.418 461 HD3 LYS 64 HD3 LYS 64 -18.028 -0.719 2.410 462 HE2 LYS 64 HE2 LYS 64 -19.466 -2.123 3.766 463 HE3 LYS 64 HE3 LYS 64 -20.134 -0.496 3.646 464 HZ1 LYS 64 HZ1 LYS 64 -21.671 -1.292 1.952 465 HZ2 LYS 64 HZ2 LYS 64 -21.848 -2.176 3.384 466 HZ3 LYS 64 HZ3 LYS 64 -21.023 -2.856 2.071 467 H ALA 65 H ALA 65 -16.218 0.354 -1.982 468 HA ALA 65 HA ALA 65 -17.235 1.849 -4.065 469 HB1 ALA 65 HB1 ALA 65 -15.016 2.185 -3.146 470 HB2 ALA 65 HB2 ALA 65 -14.931 1.973 -4.895 471 HB3 ALA 65 HB3 ALA 65 -14.481 0.647 -3.821 472 H SER 66 H SER 66 -15.962 -1.448 -4.152 473 HA SER 66 HA SER 66 -15.963 -1.946 -6.866 474 HB2 SER 66 HB2 SER 66 -15.128 -3.523 -5.155 475 HB3 SER 66 HB3 SER 66 -16.786 -3.857 -4.658 476 HG SER 66 HG SER 66 -15.516 -4.484 -7.110 477 H GLN 67 H GLN 67 -18.662 -2.304 -4.593 478 HA GLN 67 HA GLN 67 -20.471 -3.111 -6.692 479 HB2 GLN 67 HB2 GLN 67 -20.397 -3.906 -4.223 480 HB3 GLN 67 HB3 GLN 67 -21.286 -2.427 -3.887 481 HG2 GLN 67 HG2 GLN 67 -23.021 -3.142 -5.477 482 HG3 GLN 67 HG3 GLN 67 -22.139 -4.649 -5.724 483 HE21 GLN 67 HE21 GLN 67 -22.077 -6.172 -4.071 484 HE22 GLN 67 HE22 GLN 67 -23.188 -6.131 -2.746 485 H LEU 68 H LEU 68 -19.681 -0.211 -4.936 486 HA LEU 68 HA LEU 68 -22.111 1.182 -5.480 487 HB2 LEU 68 HB2 LEU 68 -20.573 1.694 -3.596 488 HB3 LEU 68 HB3 LEU 68 -19.394 2.286 -4.750 489 HG LEU 68 HG LEU 68 -20.977 4.057 -5.433 490 HD11 LEU 68 HD11 LEU 68 -23.052 2.894 -4.896 491 HD12 LEU 68 HD12 LEU 68 -22.973 4.463 -4.094 492 HD13 LEU 68 HD13 LEU 68 -22.668 2.988 -3.176 493 HD21 LEU 68 HD21 LEU 68 -20.408 3.939 -2.472 494 HD22 LEU 68 HD22 LEU 68 -20.796 5.393 -3.390 495 HD23 LEU 68 HD23 LEU 68 -19.304 4.513 -3.722 496 H GLY 69 H GLY 69 -19.114 0.731 -7.195 497 HA2 GLY 69 HA2 GLY 69 -19.090 0.938 -9.578 498 HA3 GLY 69 HA3 GLY 69 -20.317 2.187 -9.449 499 H VAL 70 H VAL 70 -17.786 2.470 -7.184 500 HA VAL 70 HA VAL 70 -16.579 4.593 -8.833 501 HB VAL 70 HB VAL 70 -15.861 5.649 -6.680 502 HG11 VAL 70 HG11 VAL 70 -17.780 6.498 -7.879 503 HG12 VAL 70 HG12 VAL 70 -18.087 6.570 -6.143 504 HG13 VAL 70 HG13 VAL 70 -18.826 5.299 -7.118 505 HG21 VAL 70 HG21 VAL 70 -16.002 3.682 -5.241 506 HG22 VAL 70 HG22 VAL 70 -17.752 3.634 -5.460 507 HG23 VAL 70 HG23 VAL 70 -17.006 4.990 -4.615 508 H LYS 71 H LYS 71 -14.343 4.833 -8.844 509 HA LYS 71 HA LYS 71 -12.802 2.621 -7.660 510 HB2 LYS 71 HB2 LYS 71 -12.287 3.794 -10.394 511 HB3 LYS 71 HB3 LYS 71 -11.504 2.395 -9.667 512 HG2 LYS 71 HG2 LYS 71 -13.599 1.171 -9.733 513 HG3 LYS 71 HG3 LYS 71 -14.408 2.577 -10.425 514 HD2 LYS 71 HD2 LYS 71 -12.805 2.439 -12.342 515 HD3 LYS 71 HD3 LYS 71 -12.233 0.908 -11.673 516 HE2 LYS 71 HE2 LYS 71 -14.580 0.082 -11.762 517 HE3 LYS 71 HE3 LYS 71 -15.019 1.565 -12.602 518 HZ1 LYS 71 HZ1 LYS 71 -13.412 0.977 -14.345 519 HZ2 LYS 71 HZ2 LYS 71 -14.644 -0.177 -14.189 520 HZ3 LYS 71 HZ3 LYS 71 -13.104 -0.493 -13.555 521 H ILE 72 H ILE 72 -10.312 3.224 -7.989 522 HA ILE 72 HA ILE 72 -10.044 6.009 -7.075 523 HB ILE 72 HB ILE 72 -7.954 5.319 -5.965 524 HG12 ILE 72 HG12 ILE 72 -7.910 2.669 -5.640 525 HG13 ILE 72 HG13 ILE 72 -8.615 2.709 -7.249 526 HG21 ILE 72 HG21 ILE 72 -10.011 5.353 -4.702 527 HG22 ILE 72 HG22 ILE 72 -9.000 4.013 -4.161 528 HG23 ILE 72 HG23 ILE 72 -10.385 3.707 -5.209 529 HD11 ILE 72 HD11 ILE 72 -6.687 3.996 -8.043 530 HD12 ILE 72 HD12 ILE 72 -6.222 2.433 -7.369 531 HD13 ILE 72 HD13 ILE 72 -5.982 3.906 -6.429 532 H ARG 73 H ARG 73 -7.838 6.981 -7.614 533 HA ARG 73 HA ARG 73 -7.481 6.769 -10.454 534 HB2 ARG 73 HB2 ARG 73 -7.349 8.949 -9.295 535 HB3 ARG 73 HB3 ARG 73 -5.918 8.396 -8.435 536 HG2 ARG 73 HG2 ARG 73 -4.639 8.320 -10.422 537 HG3 ARG 73 HG3 ARG 73 -6.070 8.536 -11.432 538 HD2 ARG 73 HD2 ARG 73 -6.362 10.792 -10.531 539 HD3 ARG 73 HD3 ARG 73 -4.942 10.573 -9.507 540 HE ARG 73 HE ARG 73 -3.565 10.684 -11.411 541 HH11 ARG 73 HH11 ARG 73 -6.956 11.181 -12.167 542 HH12 ARG 73 HH12 ARG 73 -6.646 11.782 -13.763 543 HH21 ARG 73 HH21 ARG 73 -3.159 11.463 -13.535 544 HH22 ARG 73 HH22 ARG 73 -4.500 11.950 -14.540 545 H ILE 74 H ILE 74 -6.497 5.012 -11.174 546 HA ILE 74 HA ILE 74 -4.425 3.734 -9.622 547 HB ILE 74 HB ILE 74 -4.571 1.924 -11.246 548 HG12 ILE 74 HG12 ILE 74 -6.596 3.657 -12.680 549 HG13 ILE 74 HG13 ILE 74 -4.977 3.293 -13.267 550 HG21 ILE 74 HG21 ILE 74 -7.302 2.891 -10.411 551 HG22 ILE 74 HG22 ILE 74 -6.171 2.006 -9.388 552 HG23 ILE 74 HG23 ILE 74 -6.859 1.232 -10.817 553 HD11 ILE 74 HD11 ILE 74 -7.159 1.272 -12.799 554 HD12 ILE 74 HD12 ILE 74 -5.548 0.939 -13.432 555 HD13 ILE 74 HD13 ILE 74 -6.674 1.926 -14.364 556 H LEU 75 H LEU 75 -2.323 3.596 -10.124 557 HA LEU 75 HA LEU 75 -1.375 5.072 -12.483 558 HB2 LEU 75 HB2 LEU 75 0.023 4.330 -9.909 559 HB3 LEU 75 HB3 LEU 75 0.853 5.011 -11.291 560 HG LEU 75 HG LEU 75 0.531 6.800 -9.807 561 HD11 LEU 75 HD11 LEU 75 0.012 7.393 -12.094 562 HD12 LEU 75 HD12 LEU 75 -1.003 8.310 -10.980 563 HD13 LEU 75 HD13 LEU 75 -1.673 6.933 -11.854 564 HD21 LEU 75 HD21 LEU 75 -1.104 5.742 -8.332 565 HD22 LEU 75 HD22 LEU 75 -2.361 5.993 -9.540 566 HD23 LEU 75 HD23 LEU 75 -1.591 7.379 -8.768 567 H HIS 76 H HIS 76 -2.456 2.413 -12.540 568 HA HIS 76 HA HIS 76 -0.694 0.311 -12.261 569 HB2 HIS 76 HB2 HIS 76 -3.093 0.019 -12.614 570 HB3 HIS 76 HB3 HIS 76 -2.940 0.623 -14.258 571 HD1 HIS 76 HD1 HIS 76 -2.544 -2.422 -12.200 572 HD2 HIS 76 HD2 HIS 76 -1.757 -1.192 -16.088 573 HE1 HIS 76 HE1 HIS 76 -2.078 -4.529 -13.492 574 HE2 HIS 76 HE2 HIS 76 -1.799 -3.772 -15.886 575 H ASP 77 H ASP 77 -1.252 2.308 -15.136 576 HA ASP 77 HA ASP 77 -0.235 2.454 -17.152 577 HB2 ASP 77 HB2 ASP 77 1.730 3.004 -15.656 578 HB3 ASP 77 HB3 ASP 77 2.239 1.327 -15.839 579 H TYR 78 H TYR 78 1.786 -0.291 -16.243 580 HA TYR 78 HA TYR 78 -0.019 -2.270 -17.198 581 HB2 TYR 78 HB2 TYR 78 0.866 -2.897 -19.245 582 HB3 TYR 78 HB3 TYR 78 1.030 -1.150 -19.330 583 HD1 TYR 78 HD2 TYR 78 3.319 -0.139 -18.829 584 HD2 TYR 78 HD1 TYR 78 2.726 -4.302 -19.460 585 HE1 TYR 78 HE2 TYR 78 5.715 -0.404 -19.302 586 HE2 TYR 78 HE1 TYR 78 5.122 -4.578 -19.932 587 HH TYR 78 HH TYR 78 7.416 -2.207 -19.211 588 H ALA 79 H ALA 79 3.038 -1.268 -15.972 589 HA ALA 79 HA ALA 79 4.150 -3.902 -15.712 590 HB1 ALA 79 HB1 ALA 79 5.071 -1.253 -14.614 591 HB2 ALA 79 HB2 ALA 79 5.611 -2.021 -16.109 592 HB3 ALA 79 HB3 ALA 79 5.990 -2.756 -14.550 593 H GLY 80 H GLY 80 1.934 -2.119 -13.889 594 HA2 GLY 80 HA2 GLY 80 2.663 -2.607 -11.248 595 HA3 GLY 80 HA3 GLY 80 1.018 -2.370 -11.806 596 H ILE 81 H ILE 81 1.600 -4.917 -13.545 597 HA ILE 81 HA ILE 81 0.437 -6.730 -11.658 598 HB ILE 81 HB ILE 81 0.621 -8.407 -13.527 599 HG12 ILE 81 HG12 ILE 81 0.951 -7.155 -15.816 600 HG13 ILE 81 HG13 ILE 81 1.932 -6.057 -14.852 601 HG21 ILE 81 HG21 ILE 81 -1.127 -7.344 -14.874 602 HG22 ILE 81 HG22 ILE 81 -0.758 -5.797 -14.116 603 HG23 ILE 81 HG23 ILE 81 -1.396 -7.124 -13.145 604 HD11 ILE 81 HD11 ILE 81 2.365 -9.017 -15.157 605 HD12 ILE 81 HD12 ILE 81 3.347 -7.929 -14.178 606 HD13 ILE 81 HD13 ILE 81 3.300 -7.738 -15.929 607 H ALA 82 H ALA 82 3.638 -5.917 -12.445 608 HA ALA 82 HA ALA 82 4.720 -8.581 -12.227 609 HB1 ALA 82 HB1 ALA 82 6.144 -5.942 -12.495 610 HB2 ALA 82 HB2 ALA 82 5.628 -6.971 -13.830 611 HB3 ALA 82 HB3 ALA 82 6.858 -7.540 -12.701 612 H PHE 83 H PHE 83 3.589 -6.787 -9.815 613 HA PHE 83 HA PHE 83 5.605 -7.976 -8.052 614 HB2 PHE 83 HB2 PHE 83 5.465 -6.090 -6.486 615 HB3 PHE 83 HB3 PHE 83 6.073 -5.588 -8.056 616 HD1 PHE 83 HD2 PHE 83 3.292 -5.384 -5.697 617 HD2 PHE 83 HD1 PHE 83 4.804 -4.105 -9.462 618 HE1 PHE 83 HE2 PHE 83 1.603 -3.603 -5.766 619 HE2 PHE 83 HE1 PHE 83 3.114 -2.318 -9.535 620 HZ PHE 83 HZ PHE 83 1.511 -2.066 -7.686 621 H TRP 84 H TRP 84 2.386 -7.705 -8.912 622 HA TRP 84 HA TRP 84 1.250 -8.318 -6.361 623 HB2 TRP 84 HB2 TRP 84 0.154 -8.577 -9.161 624 HB3 TRP 84 HB3 TRP 84 -0.765 -9.004 -7.722 625 HD1 TRP 84 HD1 TRP 84 0.358 -6.394 -6.029 626 HE1 TRP 84 HE1 TRP 84 -0.725 -4.119 -6.552 627 HE3 TRP 84 HE3 TRP 84 -1.594 -7.466 -10.629 628 HZ2 TRP 84 HZ2 TRP 84 -2.224 -2.945 -8.633 629 HZ3 TRP 84 HZ3 TRP 84 -2.841 -5.712 -11.818 630 HH2 TRP 84 HH2 TRP 84 -3.149 -3.499 -10.841 631 H ALA 85 H ALA 85 1.481 -10.278 -9.318 632 HA ALA 85 HA ALA 85 0.652 -12.650 -8.013 633 HB1 ALA 85 HB1 ALA 85 1.183 -13.747 -10.131 634 HB2 ALA 85 HB2 ALA 85 2.032 -12.299 -10.674 635 HB3 ALA 85 HB3 ALA 85 0.292 -12.248 -10.390 636 H THR 86 H THR 86 3.782 -11.239 -8.633 637 HA THR 86 HA THR 86 5.117 -13.676 -7.690 638 HB THR 86 HB THR 86 7.194 -12.444 -8.547 639 HG1 THR 86 HG1 THR 86 6.838 -10.499 -9.285 640 HG21 THR 86 HG21 THR 86 5.066 -13.210 -10.554 641 HG22 THR 86 HG22 THR 86 6.120 -14.344 -9.711 642 HG23 THR 86 HG23 THR 86 6.807 -13.173 -10.837 643 H GLY 87 H GLY 87 3.827 -11.196 -6.220 644 HA2 GLY 87 HA2 GLY 87 6.197 -10.531 -4.592 645 HA3 GLY 87 HA3 GLY 87 4.800 -9.480 -4.789 646 H GLU 88 H GLU 88 2.673 -10.559 -4.051 647 HA GLU 88 HA GLU 88 2.956 -11.031 -1.278 648 HB2 GLU 88 HB2 GLU 88 0.543 -11.420 -3.058 649 HB3 GLU 88 HB3 GLU 88 0.511 -11.405 -1.301 650 HG2 GLU 88 HG2 GLU 88 1.447 -9.073 -1.410 651 HG3 GLU 88 HG3 GLU 88 1.165 -9.128 -3.149 652 H TRP 89 H TRP 89 2.384 -13.141 -4.024 653 HA TRP 89 HA TRP 89 2.941 -15.436 -2.275 654 HB2 TRP 89 HB2 TRP 89 0.544 -15.363 -3.031 655 HB3 TRP 89 HB3 TRP 89 1.118 -15.484 -4.691 656 HD1 TRP 89 HD1 TRP 89 1.032 -17.853 -5.594 657 HE1 TRP 89 HE1 TRP 89 1.182 -20.235 -4.615 658 HE3 TRP 89 HE3 TRP 89 1.793 -16.655 -0.687 659 HZ2 TRP 89 HZ2 TRP 89 1.579 -21.432 -2.090 660 HZ3 TRP 89 HZ3 TRP 89 2.049 -18.474 0.947 661 HH2 TRP 89 HH2 TRP 89 1.945 -20.815 0.260 662 H LYS 90 H LYS 90 4.021 -17.223 -3.412 663 HA LYS 90 HA LYS 90 5.931 -16.146 -5.318 664 HB2 LYS 90 HB2 LYS 90 5.823 -18.850 -3.974 665 HB3 LYS 90 HB3 LYS 90 7.142 -18.249 -4.968 666 HG2 LYS 90 HG2 LYS 90 6.234 -17.026 -2.374 667 HG3 LYS 90 HG3 LYS 90 7.608 -18.107 -2.572 668 HD2 LYS 90 HD2 LYS 90 7.302 -15.418 -3.896 669 HD3 LYS 90 HD3 LYS 90 8.295 -15.752 -2.477 670 HE2 LYS 90 HE2 LYS 90 9.523 -17.444 -3.874 671 HE3 LYS 90 HE3 LYS 90 8.655 -16.812 -5.271 672 HZ1 LYS 90 HZ1 LYS 90 10.774 -15.759 -5.141 673 HZ2 LYS 90 HZ2 LYS 90 10.535 -15.327 -3.518 674 HZ3 LYS 90 HZ3 LYS 90 9.599 -14.602 -4.735 675 H ALA 91 H ALA 91 5.383 -16.205 -7.363 676 HA ALA 91 HA ALA 91 3.893 -18.526 -8.385 677 HB1 ALA 91 HB1 ALA 91 4.253 -15.814 -9.667 678 HB2 ALA 91 HB2 ALA 91 2.827 -16.343 -8.774 679 HB3 ALA 91 HB3 ALA 91 3.267 -17.143 -10.283 680 H LYS 92 H LYS 92 5.170 -20.025 -9.204 681 HA LYS 92 HA LYS 92 7.308 -19.314 -11.026 682 HB2 LYS 92 HB2 LYS 92 8.230 -19.132 -8.682 683 HB3 LYS 92 HB3 LYS 92 7.938 -20.855 -8.504 684 HG2 LYS 92 HG2 LYS 92 9.488 -21.327 -10.310 685 HG3 LYS 92 HG3 LYS 92 9.746 -19.596 -10.554 686 HD2 LYS 92 HD2 LYS 92 10.556 -19.440 -8.213 687 HD3 LYS 92 HD3 LYS 92 10.415 -21.194 -8.088 688 HE2 LYS 92 HE2 LYS 92 12.704 -20.568 -8.553 689 HE3 LYS 92 HE3 LYS 92 12.025 -21.441 -9.922 690 HZ1 LYS 92 HZ1 LYS 92 12.180 -18.481 -9.770 691 HZ2 LYS 92 HZ2 LYS 92 11.774 -19.421 -11.125 692 HZ3 LYS 92 HZ3 LYS 92 13.356 -19.452 -10.514 693 H ASN 93 H ASN 93 6.280 -22.062 -8.981 694 HA ASN 93 HA ASN 93 6.789 -23.835 -11.225 695 HB2 ASN 93 HB2 ASN 93 6.240 -24.352 -8.308 696 HB3 ASN 93 HB3 ASN 93 6.310 -25.645 -9.500 697 HD21 ASN 93 HD21 ASN 93 8.100 -26.594 -8.541 698 HD22 ASN 93 HD22 ASN 93 9.676 -25.880 -8.626 699 H GLU 94 H GLU 94 5.016 -23.079 -12.471 700 HA GLU 94 HA GLU 94 3.086 -23.522 -13.555 701 HB2 GLU 94 HB2 GLU 94 2.985 -25.990 -11.830 702 HB3 GLU 94 HB3 GLU 94 2.170 -25.747 -13.368 703 HG2 GLU 94 HG2 GLU 94 4.264 -25.704 -14.533 704 HG3 GLU 94 HG3 GLU 94 5.156 -25.765 -13.011 705 H PHE 95 H PHE 95 2.017 -25.162 -10.621 706 HA PHE 95 HA PHE 95 -0.613 -24.263 -10.862 707 HB2 PHE 95 HB2 PHE 95 0.124 -26.306 -9.653 708 HB3 PHE 95 HB3 PHE 95 0.754 -25.285 -8.369 709 HD1 PHE 95 HD2 PHE 95 -2.407 -25.882 -10.242 710 HD2 PHE 95 HD1 PHE 95 -0.573 -24.897 -6.536 711 HE1 PHE 95 HE2 PHE 95 -4.610 -25.920 -9.147 712 HE2 PHE 95 HE1 PHE 95 -2.770 -24.932 -5.431 713 HZ PHE 95 HZ PHE 95 -4.794 -25.444 -6.738 714 H THR 96 H THR 96 2.095 -22.893 -9.203 715 HA THR 96 HA THR 96 0.823 -21.238 -7.356 716 HB THR 96 HB THR 96 2.921 -19.833 -7.571 717 HG1 THR 96 HG1 THR 96 3.191 -20.580 -9.861 718 HG21 THR 96 HG21 THR 96 2.764 -21.670 -5.963 719 HG22 THR 96 HG22 THR 96 4.387 -21.578 -6.646 720 HG23 THR 96 HG23 THR 96 3.264 -22.815 -7.207 721 H GLN 97 H GLN 97 1.197 -20.907 -10.813 722 HA GLN 97 HA GLN 97 0.819 -18.106 -10.969 723 HB2 GLN 97 HB2 GLN 97 0.612 -20.374 -12.933 724 HB3 GLN 97 HB3 GLN 97 0.238 -18.726 -13.390 725 HG2 GLN 97 HG2 GLN 97 2.862 -19.534 -12.181 726 HG3 GLN 97 HG3 GLN 97 2.563 -19.504 -13.917 727 HE21 GLN 97 HE21 GLN 97 4.179 -17.936 -14.182 728 HE22 GLN 97 HE22 GLN 97 3.911 -16.285 -13.747 729 H ALA 98 H ALA 98 -1.369 -20.886 -11.123 730 HA ALA 98 HA ALA 98 -3.693 -19.459 -11.842 731 HB1 ALA 98 HB1 ALA 98 -3.548 -21.890 -12.016 732 HB2 ALA 98 HB2 ALA 98 -4.925 -21.411 -11.022 733 HB3 ALA 98 HB3 ALA 98 -3.455 -22.020 -10.260 734 H TYR 99 H TYR 99 -2.155 -20.131 -8.766 735 HA TYR 99 HA TYR 99 -4.288 -18.989 -7.214 736 HB2 TYR 99 HB2 TYR 99 -1.845 -20.460 -6.707 737 HB3 TYR 99 HB3 TYR 99 -2.011 -19.101 -5.602 738 HD1 TYR 99 HD1 TYR 99 -3.462 -22.292 -6.691 739 HD2 TYR 99 HD2 TYR 99 -3.811 -19.032 -3.977 740 HE1 TYR 99 HE1 TYR 99 -5.068 -23.587 -5.352 741 HE2 TYR 99 HE2 TYR 99 -5.417 -20.321 -2.630 742 HH TYR 99 HH TYR 99 -5.882 -23.636 -2.988 743 H ALA 100 H ALA 100 -1.281 -17.918 -8.597 744 HA ALA 100 HA ALA 100 -1.047 -15.503 -7.133 745 HB1 ALA 100 HB1 ALA 100 0.856 -16.500 -8.275 746 HB2 ALA 100 HB2 ALA 100 0.573 -14.857 -8.851 747 HB3 ALA 100 HB3 ALA 100 0.075 -16.235 -9.833 748 H LYS 101 H LYS 101 -2.427 -16.276 -10.326 749 HA LYS 101 HA LYS 101 -3.151 -13.552 -10.845 750 HB2 LYS 101 HB2 LYS 101 -4.205 -14.363 -12.835 751 HB3 LYS 101 HB3 LYS 101 -2.706 -15.257 -12.628 752 HG2 LYS 101 HG2 LYS 101 -4.010 -17.126 -11.657 753 HG3 LYS 101 HG3 LYS 101 -5.488 -16.229 -12.018 754 HD2 LYS 101 HD2 LYS 101 -4.737 -16.168 -14.420 755 HD3 LYS 101 HD3 LYS 101 -3.455 -17.294 -13.972 756 HE2 LYS 101 HE2 LYS 101 -5.272 -18.561 -14.868 757 HE3 LYS 101 HE3 LYS 101 -5.213 -18.850 -13.128 758 HZ1 LYS 101 HZ1 LYS 101 -7.476 -18.491 -13.844 759 HZ2 LYS 101 HZ2 LYS 101 -7.062 -17.007 -14.544 760 HZ3 LYS 101 HZ3 LYS 101 -6.989 -17.196 -12.861 761 H LEU 102 H LEU 102 -4.420 -15.906 -8.845 762 HA LEU 102 HA LEU 102 -7.202 -15.391 -9.082 763 HB2 LEU 102 HB2 LEU 102 -6.295 -17.431 -8.043 764 HB3 LEU 102 HB3 LEU 102 -5.621 -16.470 -6.744 765 HG LEU 102 HG LEU 102 -7.910 -15.832 -6.051 766 HD11 LEU 102 HD11 LEU 102 -9.827 -17.004 -6.988 767 HD12 LEU 102 HD12 LEU 102 -8.778 -17.803 -8.161 768 HD13 LEU 102 HD13 LEU 102 -9.004 -16.055 -8.225 769 HD21 LEU 102 HD21 LEU 102 -7.405 -18.798 -6.249 770 HD22 LEU 102 HD22 LEU 102 -8.535 -18.019 -5.139 771 HD23 LEU 102 HD23 LEU 102 -6.804 -17.715 -4.991 772 H MET 103 H MET 103 -4.569 -13.896 -7.295 773 HA MET 103 HA MET 103 -6.225 -12.383 -5.537 774 HB2 MET 103 HB2 MET 103 -4.262 -11.197 -4.902 775 HB3 MET 103 HB3 MET 103 -3.780 -12.865 -5.166 776 HG2 MET 103 HG2 MET 103 -2.898 -12.265 -7.363 777 HG3 MET 103 HG3 MET 103 -3.388 -10.594 -7.099 778 HE1 MET 103 HE1 MET 103 -0.124 -12.746 -4.651 779 HE2 MET 103 HE2 MET 103 -0.999 -13.489 -5.990 780 HE3 MET 103 HE3 MET 103 -1.842 -13.113 -4.486 781 H ASN 104 H ASN 104 -5.231 -12.045 -8.805 782 HA ASN 104 HA ASN 104 -5.397 -9.232 -9.067 783 HB2 ASN 104 HB2 ASN 104 -4.259 -10.907 -10.625 784 HB3 ASN 104 HB3 ASN 104 -5.857 -11.215 -11.288 785 HD21 ASN 104 HD21 ASN 104 -5.249 -10.447 -13.305 786 HD22 ASN 104 HD22 ASN 104 -5.039 -8.758 -13.620 787 H GLN 105 H GLN 105 -7.762 -11.755 -9.049 788 HA GLN 105 HA GLN 105 -9.900 -10.567 -10.356 789 HB2 GLN 105 HB2 GLN 105 -9.645 -12.908 -9.243 790 HB3 GLN 105 HB3 GLN 105 -10.288 -12.109 -7.812 791 HG2 GLN 105 HG2 GLN 105 -11.952 -11.338 -9.895 792 HG3 GLN 105 HG3 GLN 105 -11.644 -13.051 -10.155 793 HE21 GLN 105 HE21 GLN 105 -11.633 -11.589 -6.990 794 HE22 GLN 105 HE22 GLN 105 -13.074 -12.346 -6.419 795 H TYR 106 H TYR 106 -8.553 -9.932 -7.200 796 HA TYR 106 HA TYR 106 -10.803 -8.395 -6.265 797 HB2 TYR 106 HB2 TYR 106 -9.273 -9.679 -4.751 798 HB3 TYR 106 HB3 TYR 106 -7.995 -8.535 -5.143 799 HD1 TYR 106 HD2 TYR 106 -11.298 -8.878 -3.510 800 HD2 TYR 106 HD1 TYR 106 -7.861 -6.432 -4.051 801 HE1 TYR 106 HE2 TYR 106 -12.052 -7.422 -1.678 802 HE2 TYR 106 HE1 TYR 106 -8.603 -4.970 -2.223 803 HH TYR 106 HH TYR 106 -11.097 -5.846 -0.074 804 H ARG 107 H ARG 107 -8.066 -7.829 -8.211 805 HA ARG 107 HA ARG 107 -7.864 -5.005 -7.680 806 HB2 ARG 107 HB2 ARG 107 -6.581 -6.870 -9.657 807 HB3 ARG 107 HB3 ARG 107 -6.480 -5.134 -9.884 808 HG2 ARG 107 HG2 ARG 107 -4.491 -5.785 -8.814 809 HG3 ARG 107 HG3 ARG 107 -5.471 -4.985 -7.590 810 HD2 ARG 107 HD2 ARG 107 -6.032 -7.046 -6.563 811 HD3 ARG 107 HD3 ARG 107 -5.412 -7.976 -7.927 812 HE ARG 107 HE ARG 107 -3.224 -6.657 -7.108 813 HH11 ARG 107 HH11 ARG 107 -5.554 -8.596 -5.350 814 HH12 ARG 107 HH12 ARG 107 -4.413 -9.086 -4.130 815 HH21 ARG 107 HH21 ARG 107 -1.728 -7.334 -5.541 816 HH22 ARG 107 HH22 ARG 107 -2.222 -8.394 -4.256 817 H GLY 108 H GLY 108 -8.215 -3.399 -9.390 818 HA2 GLY 108 HA2 GLY 108 -9.373 -3.229 -11.675 819 HA3 GLY 108 HA3 GLY 108 -10.697 -4.039 -10.844 820 H ILE 109 H ILE 109 -10.875 -2.876 -8.481 821 HA ILE 109 HA ILE 109 -11.643 -0.150 -9.010 822 HB ILE 109 HB ILE 109 -11.587 -1.684 -6.395 823 HG12 ILE 109 HG12 ILE 109 -14.149 -1.545 -6.761 824 HG13 ILE 109 HG13 ILE 109 -13.744 -1.236 -8.445 825 HG21 ILE 109 HG21 ILE 109 -13.033 0.086 -5.524 826 HG22 ILE 109 HG22 ILE 109 -12.875 0.962 -7.045 827 HG23 ILE 109 HG23 ILE 109 -11.462 0.714 -6.020 828 HD11 ILE 109 HD11 ILE 109 -12.577 -3.374 -8.554 829 HD12 ILE 109 HD12 ILE 109 -14.259 -3.576 -8.070 830 HD13 ILE 109 HD13 ILE 109 -12.975 -3.681 -6.864 831 H TYR 110 H TYR 110 -9.176 -1.891 -7.241 832 HA TYR 110 HA TYR 110 -7.608 0.588 -7.016 833 HB2 TYR 110 HB2 TYR 110 -8.240 -1.411 -5.069 834 HB3 TYR 110 HB3 TYR 110 -6.511 -1.485 -5.388 835 HD1 TYR 110 HD1 TYR 110 -5.131 0.603 -5.086 836 HD2 TYR 110 HD2 TYR 110 -9.166 0.334 -3.775 837 HE1 TYR 110 HE1 TYR 110 -4.775 2.535 -3.611 838 HE2 TYR 110 HE2 TYR 110 -8.817 2.264 -2.293 839 HH TYR 110 HH TYR 110 -6.089 4.276 -2.508 840 H SER 111 H SER 111 -5.432 0.507 -7.637 841 HA SER 111 HA SER 111 -4.237 -1.909 -8.600 842 HB2 SER 111 HB2 SER 111 -5.843 -1.105 -10.451 843 HB3 SER 111 HB3 SER 111 -4.712 0.230 -10.675 844 HG SER 111 HG SER 111 -4.579 -2.177 -11.698 845 H PHE 112 H PHE 112 -2.013 -1.682 -8.790 846 HA PHE 112 HA PHE 112 -0.952 0.969 -8.074 847 HB2 PHE 112 HB2 PHE 112 -0.113 -1.697 -6.922 848 HB3 PHE 112 HB3 PHE 112 0.680 -0.162 -6.599 849 HD1 PHE 112 HD2 PHE 112 -0.724 1.672 -5.505 850 HD2 PHE 112 HD1 PHE 112 -1.855 -2.425 -5.587 851 HE1 PHE 112 HE2 PHE 112 -2.218 2.048 -3.586 852 HE2 PHE 112 HE1 PHE 112 -3.349 -2.060 -3.670 853 HZ PHE 112 HZ PHE 112 -3.530 0.180 -2.663 854 H GLU 113 H GLU 113 1.448 1.047 -8.327 855 HA GLU 113 HA GLU 113 2.647 -0.818 -10.208 856 HB2 GLU 113 HB2 GLU 113 1.575 1.435 -11.269 857 HB3 GLU 113 HB3 GLU 113 3.147 2.058 -10.790 858 HG2 GLU 113 HG2 GLU 113 2.761 -0.362 -12.536 859 HG3 GLU 113 HG3 GLU 113 2.985 1.272 -13.152 860 H LYS 114 H LYS 114 5.028 -0.676 -10.064 861 HA LYS 114 HA LYS 114 5.756 0.040 -7.379 862 HB2 LYS 114 HB2 LYS 114 7.946 -0.985 -7.976 863 HB3 LYS 114 HB3 LYS 114 6.571 -2.055 -8.147 864 HG2 LYS 114 HG2 LYS 114 6.597 -1.650 -10.573 865 HG3 LYS 114 HG3 LYS 114 8.024 -0.633 -10.366 866 HD2 LYS 114 HD2 LYS 114 8.773 -2.802 -11.043 867 HD3 LYS 114 HD3 LYS 114 9.181 -2.602 -9.341 868 HE2 LYS 114 HE2 LYS 114 7.174 -3.886 -8.728 869 HE3 LYS 114 HE3 LYS 114 6.813 -4.114 -10.436 870 HZ1 LYS 114 HZ1 LYS 114 9.141 -5.181 -8.930 871 HZ2 LYS 114 HZ2 LYS 114 9.037 -5.225 -10.618 872 HZ3 LYS 114 HZ3 LYS 114 7.902 -6.061 -9.677 873 H VAL 115 H VAL 115 5.524 2.262 -7.461 874 HA VAL 115 HA VAL 115 7.354 3.776 -9.183 875 HB VAL 115 HB VAL 115 5.040 4.751 -7.487 876 HG11 VAL 115 HG11 VAL 115 5.263 6.850 -8.689 877 HG12 VAL 115 HG12 VAL 115 6.641 6.213 -9.586 878 HG13 VAL 115 HG13 VAL 115 6.762 6.462 -7.845 879 HG21 VAL 115 HG21 VAL 115 5.215 4.303 -10.462 880 HG22 VAL 115 HG22 VAL 115 3.848 5.019 -9.603 881 HG23 VAL 115 HG23 VAL 115 4.289 3.336 -9.313 882 H LYS 116 H LYS 116 8.970 5.015 -8.358 883 HA LYS 116 HA LYS 116 9.052 5.549 -5.483 884 HB2 LYS 116 HB2 LYS 116 10.501 3.476 -6.367 885 HB3 LYS 116 HB3 LYS 116 11.621 4.765 -6.780 886 HG2 LYS 116 HG2 LYS 116 12.221 3.946 -4.634 887 HG3 LYS 116 HG3 LYS 116 11.489 5.536 -4.406 888 HD2 LYS 116 HD2 LYS 116 9.422 4.559 -3.703 889 HD3 LYS 116 HD3 LYS 116 9.980 2.943 -4.127 890 HE2 LYS 116 HE2 LYS 116 10.104 3.215 -1.740 891 HE3 LYS 116 HE3 LYS 116 11.738 3.140 -2.397 892 HZ1 LYS 116 HZ1 LYS 116 11.523 4.870 -0.726 893 HZ2 LYS 116 HZ2 LYS 116 10.308 5.627 -1.633 894 HZ3 LYS 116 HZ3 LYS 116 11.885 5.544 -2.240 895 H ALA 117 H ALA 117 9.443 7.669 -5.197 896 HA ALA 117 HA ALA 117 10.110 9.327 -7.435 897 HB1 ALA 117 HB1 ALA 117 9.917 10.041 -4.510 898 HB2 ALA 117 HB2 ALA 117 8.598 10.115 -5.681 899 HB3 ALA 117 HB3 ALA 117 9.991 11.181 -5.852 900 H HIS 118 H HIS 118 12.017 10.178 -8.013 901 HA HIS 118 HA HIS 118 14.346 9.293 -6.436 902 HB2 HIS 118 HB2 HIS 118 14.212 9.961 -9.383 903 HB3 HIS 118 HB3 HIS 118 15.630 9.371 -8.519 904 HD1 HIS 118 HD1 HIS 118 13.762 8.064 -10.934 905 HD2 HIS 118 HD2 HIS 118 14.250 6.821 -6.995 906 HE1 HIS 118 HE1 HIS 118 13.155 5.621 -10.907 907 HE2 HIS 118 HE2 HIS 118 13.671 4.850 -8.564 908 H SER 119 H SER 119 12.907 12.017 -8.137 909 HA SER 119 HA SER 119 15.193 13.700 -7.884 910 HB2 SER 119 HB2 SER 119 12.322 14.464 -8.466 911 HB3 SER 119 HB3 SER 119 13.758 15.434 -8.803 912 HG SER 119 HG SER 119 14.312 13.239 -9.979 913 H GLY 120 H GLY 120 12.269 13.207 -5.963 914 HA2 GLY 120 HA2 GLY 120 12.989 13.565 -3.513 915 HA3 GLY 120 HA3 GLY 120 13.286 15.209 -4.050 916 H ASN 121 H ASN 121 10.850 12.801 -3.379 917 HA ASN 121 HA ASN 121 8.894 14.992 -3.166 918 HB2 ASN 121 HB2 ASN 121 8.530 12.125 -3.960 919 HB3 ASN 121 HB3 ASN 121 7.201 13.001 -3.208 920 HD21 ASN 121 HD21 ASN 121 7.358 11.925 -5.874 921 HD22 ASN 121 HD22 ASN 121 7.150 13.262 -6.956 922 H GLU 122 H GLU 122 8.044 15.402 -1.219 923 HA GLU 122 HA GLU 122 9.176 14.253 1.097 924 HB2 GLU 122 HB2 GLU 122 6.723 15.962 0.721 925 HB3 GLU 122 HB3 GLU 122 7.313 15.469 2.300 926 HG2 GLU 122 HG2 GLU 122 9.493 16.567 1.705 927 HG3 GLU 122 HG3 GLU 122 8.675 17.231 0.291 928 H PHE 123 H PHE 123 6.111 13.755 -0.532 929 HA PHE 123 HA PHE 123 4.882 12.097 1.359 930 HB2 PHE 123 HB2 PHE 123 4.517 11.848 -1.629 931 HB3 PHE 123 HB3 PHE 123 3.343 11.501 -0.365 932 HD1 PHE 123 HD1 PHE 123 2.770 13.578 1.180 933 HD2 PHE 123 HD2 PHE 123 4.339 13.822 -2.770 934 HE1 PHE 123 HE1 PHE 123 1.903 15.871 0.980 935 HE2 PHE 123 HE2 PHE 123 3.473 16.115 -2.975 936 HZ PHE 123 HZ PHE 123 2.257 17.144 -1.100 937 H ASN 124 H ASN 124 7.061 11.396 -1.304 938 HA ASN 124 HA ASN 124 6.959 8.568 -1.094 939 HB2 ASN 124 HB2 ASN 124 7.702 9.464 -3.164 940 HB3 ASN 124 HB3 ASN 124 8.900 10.485 -2.380 941 HD21 ASN 124 HD21 ASN 124 10.891 9.663 -1.895 942 HD22 ASN 124 HD22 ASN 124 11.417 8.086 -2.394 943 H ASP 125 H ASP 125 9.217 11.021 0.111 944 HA ASP 125 HA ASP 125 11.055 9.168 1.213 945 HB2 ASP 125 HB2 ASP 125 11.481 11.605 0.602 946 HB3 ASP 125 HB3 ASP 125 10.684 12.025 2.114 947 H TYR 126 H TYR 126 8.257 10.854 2.503 948 HA TYR 126 HA TYR 126 8.663 10.361 5.228 949 HB2 TYR 126 HB2 TYR 126 6.900 11.852 4.041 950 HB3 TYR 126 HB3 TYR 126 5.925 10.390 3.980 951 HD1 TYR 126 HD2 TYR 126 6.426 9.159 6.595 952 HD2 TYR 126 HD1 TYR 126 5.893 13.257 5.572 953 HE1 TYR 126 HE2 TYR 126 5.624 9.617 8.868 954 HE2 TYR 126 HE1 TYR 126 5.085 13.722 7.848 955 HH TYR 126 HH TYR 126 3.938 12.248 9.719 956 H VAL 127 H VAL 127 6.627 8.523 2.917 957 HA VAL 127 HA VAL 127 6.073 6.466 4.799 958 HB VAL 127 HB VAL 127 5.197 5.172 2.876 959 HG11 VAL 127 HG11 VAL 127 4.307 8.051 3.033 960 HG12 VAL 127 HG12 VAL 127 3.754 6.723 4.055 961 HG13 VAL 127 HG13 VAL 127 3.371 6.731 2.333 962 HG21 VAL 127 HG21 VAL 127 5.072 6.248 0.665 963 HG22 VAL 127 HG22 VAL 127 6.734 5.897 1.139 964 HG23 VAL 127 HG23 VAL 127 6.119 7.545 1.251 965 H ASP 128 H ASP 128 8.538 6.953 2.388 966 HA ASP 128 HA ASP 128 9.719 4.412 2.363 967 HB2 ASP 128 HB2 ASP 128 10.339 6.167 0.781 968 HB3 ASP 128 HB3 ASP 128 10.965 7.158 2.091 969 H MET 129 H MET 129 10.272 7.223 4.434 970 HA MET 129 HA MET 129 12.249 6.090 6.093 971 HB2 MET 129 HB2 MET 129 11.748 8.516 5.934 972 HB3 MET 129 HB3 MET 129 10.222 8.236 6.759 973 HG2 MET 129 HG2 MET 129 11.456 7.440 8.731 974 HG3 MET 129 HG3 MET 129 12.972 7.800 7.907 975 HE1 MET 129 HE1 MET 129 12.080 10.517 6.346 976 HE2 MET 129 HE2 MET 129 13.647 10.268 7.118 977 HE3 MET 129 HE3 MET 129 12.703 11.709 7.489 978 H LYS 130 H LYS 130 8.717 6.159 6.311 979 HA LYS 130 HA LYS 130 8.514 5.029 8.899 980 HB2 LYS 130 HB2 LYS 130 6.732 6.164 7.239 981 HB3 LYS 130 HB3 LYS 130 6.374 4.476 6.908 982 HG2 LYS 130 HG2 LYS 130 6.438 5.561 9.705 983 HG3 LYS 130 HG3 LYS 130 4.997 5.654 8.698 984 HD2 LYS 130 HD2 LYS 130 4.912 3.245 8.527 985 HD3 LYS 130 HD3 LYS 130 6.443 3.094 9.394 986 HE2 LYS 130 HE2 LYS 130 5.475 3.920 11.407 987 HE3 LYS 130 HE3 LYS 130 4.004 4.412 10.574 988 HZ1 LYS 130 HZ1 LYS 130 3.387 2.147 10.259 989 HZ2 LYS 130 HZ2 LYS 130 3.801 2.332 11.888 990 HZ3 LYS 130 HZ3 LYS 130 4.883 1.581 10.826 991 H ALA 131 H ALA 131 8.491 3.600 5.647 992 HA ALA 131 HA ALA 131 8.102 0.927 6.445 993 HB1 ALA 131 HB1 ALA 131 9.580 1.934 4.017 994 HB2 ALA 131 HB2 ALA 131 7.833 1.715 4.129 995 HB3 ALA 131 HB3 ALA 131 8.907 0.321 4.239 996 H LYS 132 H LYS 132 11.054 2.824 5.914 997 HA LYS 132 HA LYS 132 12.884 0.755 6.485 998 HB2 LYS 132 HB2 LYS 132 13.086 3.755 6.585 999 HB3 LYS 132 HB3 LYS 132 14.438 2.726 7.041 1000 HG2 LYS 132 HG2 LYS 132 14.556 1.784 4.860 1001 HG3 LYS 132 HG3 LYS 132 13.049 2.567 4.380 1002 HD2 LYS 132 HD2 LYS 132 14.099 4.752 4.585 1003 HD3 LYS 132 HD3 LYS 132 15.594 3.998 5.142 1004 HE2 LYS 132 HE2 LYS 132 16.029 3.052 3.050 1005 HE3 LYS 132 HE3 LYS 132 14.369 3.285 2.501 1006 HZ1 LYS 132 HZ1 LYS 132 15.939 4.874 1.511 1007 HZ2 LYS 132 HZ2 LYS 132 16.280 5.489 3.050 1008 HZ3 LYS 132 HZ3 LYS 132 14.717 5.635 2.408 1009 H SER 133 H SER 133 11.195 3.051 8.553 1010 HA SER 133 HA SER 133 12.565 2.510 10.940 1011 HB2 SER 133 HB2 SER 133 9.659 3.278 10.559 1012 HB3 SER 133 HB3 SER 133 10.551 3.373 12.078 1013 HG SER 133 HG SER 133 11.084 4.812 9.678 1014 H ALA 134 H ALA 134 9.841 0.890 9.386 1015 HA ALA 134 HA ALA 134 9.389 -0.975 11.507 1016 HB1 ALA 134 HB1 ALA 134 8.553 -1.088 8.610 1017 HB2 ALA 134 HB2 ALA 134 7.626 -0.371 9.928 1018 HB3 ALA 134 HB3 ALA 134 7.930 -2.107 9.905 1019 H LEU 135 H LEU 135 11.606 -0.781 8.883 1020 HA LEU 135 HA LEU 135 12.245 -3.592 8.810 1021 HB2 LEU 135 HB2 LEU 135 13.572 -1.148 7.634 1022 HB3 LEU 135 HB3 LEU 135 14.216 -2.766 7.444 1023 HG LEU 135 HG LEU 135 11.447 -2.007 6.517 1024 HD11 LEU 135 HD11 LEU 135 12.385 -1.755 4.287 1025 HD12 LEU 135 HD12 LEU 135 14.008 -2.023 4.921 1026 HD13 LEU 135 HD13 LEU 135 13.103 -0.586 5.394 1027 HD21 LEU 135 HD21 LEU 135 13.303 -4.278 5.789 1028 HD22 LEU 135 HD22 LEU 135 11.689 -4.002 5.132 1029 HD23 LEU 135 HD23 LEU 135 11.889 -4.399 6.838 1030 H GLY 136 H GLY 136 12.961 -0.937 10.753 1031 HA2 GLY 136 HA2 GLY 136 14.207 -0.992 12.739 1032 HA3 GLY 136 HA3 GLY 136 15.020 -2.434 12.148 1033 H ILE 137 H ILE 137 14.758 0.097 9.895 1034 HA ILE 137 HA ILE 137 17.619 0.367 9.816 1035 HB ILE 137 HB ILE 137 15.511 1.826 8.212 1036 HG12 ILE 137 HG12 ILE 137 15.434 -0.594 7.838 1037 HG13 ILE 137 HG13 ILE 137 16.071 0.230 6.418 1038 HG21 ILE 137 HG21 ILE 137 17.343 2.328 6.653 1039 HG22 ILE 137 HG22 ILE 137 18.487 1.592 7.776 1040 HG23 ILE 137 HG23 ILE 137 17.607 3.046 8.243 1041 HD11 ILE 137 HD11 ILE 137 17.293 -1.812 6.894 1042 HD12 ILE 137 HD12 ILE 137 17.703 -1.205 8.498 1043 HD13 ILE 137 HD13 ILE 137 18.330 -0.396 7.063 1044 H ARG 138 H ARG 138 18.237 1.363 11.683 1045 HA ARG 138 HA ARG 138 17.799 4.255 11.699 1046 HB2 ARG 138 HB2 ARG 138 17.577 2.420 14.094 1047 HB3 ARG 138 HB3 ARG 138 17.912 4.140 14.260 1048 HG2 ARG 138 HG2 ARG 138 15.688 4.334 14.396 1049 HG3 ARG 138 HG3 ARG 138 15.737 4.191 12.640 1050 HD2 ARG 138 HD2 ARG 138 14.110 2.652 13.272 1051 HD3 ARG 138 HD3 ARG 138 15.551 1.659 13.047 1052 HE ARG 138 HE ARG 138 15.566 2.353 15.705 1053 HH11 ARG 138 HH11 ARG 138 13.288 0.711 13.589 1054 HH12 ARG 138 HH12 ARG 138 12.624 -0.265 14.864 1055 HH21 ARG 138 HH21 ARG 138 14.665 1.082 17.376 1056 HH22 ARG 138 HH22 ARG 138 13.401 -0.053 17.006 1057 H ASP 139 H ASP 139 19.540 4.796 13.870 1058 HA ASP 139 HA ASP 139 22.042 4.472 12.539 1059 HB2 ASP 139 HB2 ASP 139 23.007 5.782 14.278 1060 HB3 ASP 139 HB3 ASP 139 21.418 6.462 13.956 1061 H LEU 140 H LEU 140 23.956 3.462 13.422 1062 HA LEU 140 HA LEU 140 23.218 0.799 14.327 1063 HB2 LEU 140 HB2 LEU 140 25.763 1.942 13.196 1064 HB3 LEU 140 HB3 LEU 140 25.655 0.301 13.798 1065 HG LEU 140 HG LEU 140 25.440 0.154 11.459 1066 HD11 LEU 140 HD11 LEU 140 23.892 -1.272 12.608 1067 HD12 LEU 140 HD12 LEU 140 23.138 -0.671 11.131 1068 HD13 LEU 140 HD13 LEU 140 22.699 0.023 12.693 1069 HD21 LEU 140 HD21 LEU 140 23.834 1.446 10.144 1070 HD22 LEU 140 HD22 LEU 140 24.986 2.493 10.973 1071 HD23 LEU 140 HD23 LEU 140 23.347 2.319 11.597 1072 H GLU 141 H GLU 141 24.669 3.627 15.619 1073 HA GLU 141 HA GLU 141 26.166 2.364 17.691 1074 HB2 GLU 141 HB2 GLU 141 25.056 5.176 17.527 1075 HB3 GLU 141 HB3 GLU 141 26.237 4.617 18.706 1076 HG2 GLU 141 HG2 GLU 141 27.795 4.105 16.892 1077 HG3 GLU 141 HG3 GLU 141 26.619 4.696 15.724 1078 H HIS 142 H HIS 142 22.889 3.560 17.341 1079 HA HIS 142 HA HIS 142 21.905 2.864 19.873 1080 HB2 HIS 142 HB2 HIS 142 20.404 4.062 18.550 1081 HB3 HIS 142 HB3 HIS 142 20.729 3.089 17.123 1082 HD1 HIS 142 HD1 HIS 142 19.363 0.968 16.800 1083 HD2 HIS 142 HD2 HIS 142 18.460 2.992 20.310 1084 HE1 HIS 142 HE1 HIS 142 17.242 -0.077 17.649 1085 HE2 HIS 142 HE2 HIS 142 16.600 1.317 19.649 1086 H HIS 143 H HIS 143 22.144 0.963 20.822 1087 HA HIS 143 HA HIS 143 22.615 -1.443 19.322 1088 HB2 HIS 143 HB2 HIS 143 22.221 -1.010 22.290 1089 HB3 HIS 143 HB3 HIS 143 22.722 -2.526 21.549 1090 HD1 HIS 143 HD1 HIS 143 24.127 0.172 23.290 1091 HD2 HIS 143 HD2 HIS 143 25.228 -1.921 19.869 1092 HE1 HIS 143 HE1 HIS 143 26.592 0.591 22.998 1093 HE2 HIS 143 HE2 HIS 143 27.269 -0.903 21.086 1094 H HIS 144 H HIS 144 21.372 -3.439 19.736 1095 HA HIS 144 HA HIS 144 18.586 -3.092 19.338 1096 HB2 HIS 144 HB2 HIS 144 20.205 -5.535 20.089 1097 HB3 HIS 144 HB3 HIS 144 18.476 -5.584 19.768 1098 HD1 HIS 144 HD1 HIS 144 17.781 -5.848 17.375 1099 HD2 HIS 144 HD2 HIS 144 21.773 -4.739 17.760 1100 HE1 HIS 144 HE1 HIS 144 18.742 -5.957 15.054 1101 HE2 HIS 144 HE2 HIS 144 21.182 -5.383 15.321 1102 H HIS 145 H HIS 145 17.260 -2.331 20.826 1103 HA HIS 145 HA HIS 145 18.100 -2.182 23.557 1104 HB2 HIS 145 HB2 HIS 145 16.869 -0.372 22.293 1105 HB3 HIS 145 HB3 HIS 145 15.420 -1.361 22.434 1106 HD1 HIS 145 HD1 HIS 145 17.962 0.366 24.669 1107 HD2 HIS 145 HD2 HIS 145 14.022 -0.972 24.751 1108 HE1 HIS 145 HE1 HIS 145 17.010 1.186 26.846 1109 HE2 HIS 145 HE2 HIS 145 14.583 0.519 26.798 1110 H HIS 146 H HIS 146 17.877 -3.752 24.942 1111 HA HIS 146 HA HIS 146 16.045 -5.907 24.707 1112 HB2 HIS 146 HB2 HIS 146 18.187 -6.085 25.917 1113 HB3 HIS 146 HB3 HIS 146 17.617 -4.921 27.106 1114 HD1 HIS 146 HD1 HIS 146 16.153 -5.793 28.990 1115 HD2 HIS 146 HD2 HIS 146 16.981 -8.653 26.085 1116 HE1 HIS 146 HE1 HIS 146 15.422 -7.993 29.975 1117 HE2 HIS 146 HE2 HIS 146 16.073 -9.728 28.260 1118 H HIS 147 H HIS 147 14.026 -6.185 25.594 1119 HA HIS 147 HA HIS 147 12.718 -3.817 26.645 1120 HB2 HIS 147 HB2 HIS 147 11.709 -6.581 25.968 1121 HB3 HIS 147 HB3 HIS 147 10.692 -5.365 26.731 1122 HD1 HIS 147 HD1 HIS 147 9.702 -6.329 24.139 1123 HD2 HIS 147 HD2 HIS 147 12.430 -3.198 24.408 1124 HE1 HIS 147 HE1 HIS 147 9.472 -5.045 21.994 1125 HE2 HIS 147 HE2 HIS 147 10.974 -3.041 22.264 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -22.740 12.446 0.712 2 H2 MET 1 H2 MET 1 -23.821 13.712 0.394 3 H3 MET 1 H3 MET 1 -23.004 13.648 1.878 4 HA MET 1 HA MET 1 -21.714 14.021 -0.764 5 HB2 MET 1 HB2 MET 1 -22.166 15.987 1.498 6 HB3 MET 1 HB3 MET 1 -21.273 16.314 0.019 7 HG2 MET 1 HG2 MET 1 -23.266 16.094 -1.300 8 HG3 MET 1 HG3 MET 1 -24.190 15.577 0.108 9 HE1 MET 1 HE1 MET 1 -25.759 19.070 -0.579 10 HE2 MET 1 HE2 MET 1 -26.079 17.367 -0.252 11 HE3 MET 1 HE3 MET 1 -25.270 17.843 -1.747 12 H ASP 2 H ASP 2 -19.774 13.052 -0.668 13 HA ASP 2 HA ASP 2 -18.292 13.211 1.866 14 HB2 ASP 2 HB2 ASP 2 -18.803 10.700 0.272 15 HB3 ASP 2 HB3 ASP 2 -17.573 10.824 1.524 16 H ASP 3 H ASP 3 -17.482 11.298 -0.966 17 HA ASP 3 HA ASP 3 -15.526 13.074 -2.002 18 HB2 ASP 3 HB2 ASP 3 -14.511 12.315 0.220 19 HB3 ASP 3 HB3 ASP 3 -14.442 10.697 -0.465 20 H ARG 4 H ARG 4 -15.154 12.444 -4.027 21 HA ARG 4 HA ARG 4 -15.950 9.713 -4.829 22 HB2 ARG 4 HB2 ARG 4 -16.789 10.675 -6.919 23 HB3 ARG 4 HB3 ARG 4 -17.590 11.426 -5.543 24 HG2 ARG 4 HG2 ARG 4 -16.359 13.409 -5.761 25 HG3 ARG 4 HG3 ARG 4 -15.179 12.656 -6.831 26 HD2 ARG 4 HD2 ARG 4 -16.991 12.393 -8.524 27 HD3 ARG 4 HD3 ARG 4 -18.048 13.326 -7.460 28 HE ARG 4 HE ARG 4 -15.878 14.920 -7.722 29 HH11 ARG 4 HH11 ARG 4 -17.979 13.347 -10.044 30 HH12 ARG 4 HH12 ARG 4 -17.738 14.558 -11.266 31 HH21 ARG 4 HH21 ARG 4 -15.576 16.513 -9.313 32 HH22 ARG 4 HH22 ARG 4 -16.363 16.351 -10.853 33 H THR 5 H THR 5 -13.314 11.245 -4.242 34 HA THR 5 HA THR 5 -12.170 11.486 -6.905 35 HB THR 5 HB THR 5 -10.503 12.057 -4.531 36 HG1 THR 5 HG1 THR 5 -12.388 12.885 -3.703 37 HG21 THR 5 HG21 THR 5 -9.809 12.593 -6.833 38 HG22 THR 5 HG22 THR 5 -9.949 14.040 -5.834 39 HG23 THR 5 HG23 THR 5 -11.215 13.644 -6.996 40 H GLU 6 H GLU 6 -10.934 9.941 -7.803 41 HA GLU 6 HA GLU 6 -9.925 7.733 -6.307 42 HB2 GLU 6 HB2 GLU 6 -8.642 7.204 -8.387 43 HB3 GLU 6 HB3 GLU 6 -10.370 7.378 -8.637 44 HG2 GLU 6 HG2 GLU 6 -10.003 9.636 -9.513 45 HG3 GLU 6 HG3 GLU 6 -8.266 9.427 -9.289 46 H TYR 7 H TYR 7 -8.008 7.508 -5.290 47 HA TYR 7 HA TYR 7 -6.733 10.063 -4.756 48 HB2 TYR 7 HB2 TYR 7 -6.444 7.462 -3.246 49 HB3 TYR 7 HB3 TYR 7 -5.944 9.063 -2.703 50 HD1 TYR 7 HD1 TYR 7 -7.932 10.857 -2.775 51 HD2 TYR 7 HD2 TYR 7 -8.422 6.648 -2.409 52 HE1 TYR 7 HE1 TYR 7 -10.148 11.207 -1.773 53 HE2 TYR 7 HE2 TYR 7 -10.642 6.986 -1.411 54 HH TYR 7 HH TYR 7 -12.283 9.880 -1.577 55 H ASP 8 H ASP 8 -4.765 10.599 -5.267 56 HA ASP 8 HA ASP 8 -2.938 8.713 -6.491 57 HB2 ASP 8 HB2 ASP 8 -2.573 11.638 -5.782 58 HB3 ASP 8 HB3 ASP 8 -1.431 10.665 -6.699 59 H VAL 9 H VAL 9 -2.388 7.301 -4.866 60 HA VAL 9 HA VAL 9 -1.600 8.364 -2.273 61 HB VAL 9 HB VAL 9 -1.986 5.498 -3.164 62 HG11 VAL 9 HG11 VAL 9 -0.450 5.648 -1.291 63 HG12 VAL 9 HG12 VAL 9 -1.992 4.965 -0.774 64 HG13 VAL 9 HG13 VAL 9 -1.603 6.646 -0.405 65 HG21 VAL 9 HG21 VAL 9 -3.799 7.268 -1.530 66 HG22 VAL 9 HG22 VAL 9 -4.092 5.580 -1.955 67 HG23 VAL 9 HG23 VAL 9 -4.057 6.814 -3.214 68 H TYR 10 H TYR 10 0.445 8.267 -1.478 69 HA TYR 10 HA TYR 10 2.478 7.460 -3.435 70 HB2 TYR 10 HB2 TYR 10 3.914 9.214 -2.517 71 HB3 TYR 10 HB3 TYR 10 2.389 9.879 -3.088 72 HD1 TYR 10 HD2 TYR 10 0.723 10.722 -1.479 73 HD2 TYR 10 HD1 TYR 10 4.509 9.270 -0.188 74 HE1 TYR 10 HE2 TYR 10 0.394 11.807 0.704 75 HE2 TYR 10 HE1 TYR 10 4.187 10.347 1.996 76 HH TYR 10 HH TYR 10 1.200 11.570 3.017 77 H THR 11 H THR 11 4.150 6.289 -2.883 78 HA THR 11 HA THR 11 4.824 5.772 -0.094 79 HB THR 11 HB THR 11 4.732 3.473 -2.067 80 HG1 THR 11 HG1 THR 11 2.728 3.039 -0.564 81 HG21 THR 11 HG21 THR 11 4.656 3.554 0.958 82 HG22 THR 11 HG22 THR 11 6.081 3.204 -0.019 83 HG23 THR 11 HG23 THR 11 4.705 2.102 -0.044 84 H ASP 12 H ASP 12 7.032 4.156 -0.499 85 HA ASP 12 HA ASP 12 8.739 5.801 -2.160 86 HB2 ASP 12 HB2 ASP 12 9.535 4.838 0.029 87 HB3 ASP 12 HB3 ASP 12 9.491 3.243 -0.722 88 H GLY 13 H GLY 13 10.040 4.910 -3.903 89 HA2 GLY 13 HA2 GLY 13 8.320 3.644 -5.758 90 HA3 GLY 13 HA3 GLY 13 9.999 4.071 -6.031 91 H SER 14 H SER 14 10.905 2.355 -3.745 92 HA SER 14 HA SER 14 10.405 -0.281 -4.893 93 HB2 SER 14 HB2 SER 14 12.928 -0.628 -5.070 94 HB3 SER 14 HB3 SER 14 12.194 0.418 -6.286 95 HG SER 14 HG SER 14 13.532 1.281 -3.915 96 H TYR 15 H TYR 15 11.736 -1.985 -3.705 97 HA TYR 15 HA TYR 15 11.357 -1.714 -0.877 98 HB2 TYR 15 HB2 TYR 15 12.905 -3.883 -2.315 99 HB3 TYR 15 HB3 TYR 15 12.149 -3.980 -0.730 100 HD1 TYR 15 HD1 TYR 15 9.455 -3.033 -1.126 101 HD2 TYR 15 HD2 TYR 15 11.873 -5.369 -3.732 102 HE1 TYR 15 HE1 TYR 15 7.430 -3.980 -2.151 103 HE2 TYR 15 HE2 TYR 15 9.855 -6.320 -4.763 104 HH TYR 15 HH TYR 15 7.492 -6.696 -4.196 105 H VAL 16 H VAL 16 12.882 -1.206 0.664 106 HA VAL 16 HA VAL 16 15.394 -0.196 -0.448 107 HB VAL 16 HB VAL 16 14.029 1.460 0.714 108 HG11 VAL 16 HG11 VAL 16 13.697 1.348 3.144 109 HG12 VAL 16 HG12 VAL 16 14.378 -0.280 3.145 110 HG13 VAL 16 HG13 VAL 16 12.872 0.044 2.289 111 HG21 VAL 16 HG21 VAL 16 16.557 0.784 2.203 112 HG22 VAL 16 HG22 VAL 16 15.738 2.346 2.227 113 HG23 VAL 16 HG23 VAL 16 16.438 1.738 0.726 114 H ASN 17 H ASN 17 17.305 -0.962 0.089 115 HA ASN 17 HA ASN 17 18.892 -2.389 0.837 116 HB2 ASN 17 HB2 ASN 17 17.306 -2.007 3.370 117 HB3 ASN 17 HB3 ASN 17 18.754 -3.006 3.322 118 HD21 ASN 17 HD21 ASN 17 17.494 0.200 3.305 119 HD22 ASN 17 HD22 ASN 17 19.017 1.022 3.415 120 H GLY 18 H GLY 18 16.416 -3.478 -0.345 121 HA2 GLY 18 HA2 GLY 18 15.917 -5.632 -1.036 122 HA3 GLY 18 HA3 GLY 18 17.040 -6.247 0.167 123 H GLN 19 H GLN 19 14.988 -4.119 1.688 124 HA GLN 19 HA GLN 19 13.370 -6.355 2.681 125 HB2 GLN 19 HB2 GLN 19 14.071 -3.693 3.923 126 HB3 GLN 19 HB3 GLN 19 12.933 -4.832 4.633 127 HG2 GLN 19 HG2 GLN 19 15.796 -5.496 4.010 128 HG3 GLN 19 HG3 GLN 19 15.237 -4.914 5.578 129 HE21 GLN 19 HE21 GLN 19 15.937 -6.810 6.563 130 HE22 GLN 19 HE22 GLN 19 15.071 -8.303 6.397 131 H TYR 20 H TYR 20 11.168 -6.226 2.831 132 HA TYR 20 HA TYR 20 9.910 -3.957 1.460 133 HB2 TYR 20 HB2 TYR 20 8.287 -5.685 0.495 134 HB3 TYR 20 HB3 TYR 20 9.896 -5.616 -0.211 135 HD1 TYR 20 HD2 TYR 20 7.695 -7.559 2.040 136 HD2 TYR 20 HD1 TYR 20 11.355 -7.481 -0.125 137 HE1 TYR 20 HE2 TYR 20 7.978 -9.969 2.443 138 HE2 TYR 20 HE1 TYR 20 11.647 -9.889 0.268 139 HH TYR 20 HH TYR 20 10.929 -11.608 1.751 140 H ALA 21 H ALA 21 7.869 -3.397 2.119 141 HA ALA 21 HA ALA 21 6.509 -4.862 4.214 142 HB1 ALA 21 HB1 ALA 21 6.466 -2.967 5.760 143 HB2 ALA 21 HB2 ALA 21 7.512 -2.051 4.678 144 HB3 ALA 21 HB3 ALA 21 8.122 -3.502 5.471 145 H TRP 22 H TRP 22 4.369 -3.703 4.724 146 HA TRP 22 HA TRP 22 3.405 -2.539 2.209 147 HB2 TRP 22 HB2 TRP 22 1.170 -3.155 2.882 148 HB3 TRP 22 HB3 TRP 22 2.217 -4.555 3.050 149 HD1 TRP 22 HD1 TRP 22 2.905 -5.208 5.651 150 HE1 TRP 22 HE1 TRP 22 1.534 -4.950 7.818 151 HE3 TRP 22 HE3 TRP 22 -0.508 -1.756 4.034 152 HZ2 TRP 22 HZ2 TRP 22 -0.693 -3.474 8.712 153 HZ3 TRP 22 HZ3 TRP 22 -2.225 -0.971 5.616 154 HH2 TRP 22 HH2 TRP 22 -2.315 -1.813 7.906 155 H ALA 23 H ALA 23 2.736 -0.494 2.071 156 HA ALA 23 HA ALA 23 1.942 1.065 4.334 157 HB1 ALA 23 HB1 ALA 23 3.797 2.634 4.333 158 HB2 ALA 23 HB2 ALA 23 4.617 1.695 3.086 159 HB3 ALA 23 HB3 ALA 23 4.377 1.006 4.692 160 H TYR 24 H TYR 24 0.955 2.946 3.731 161 HA TYR 24 HA TYR 24 1.507 4.272 1.294 162 HB2 TYR 24 HB2 TYR 24 -0.548 3.959 0.090 163 HB3 TYR 24 HB3 TYR 24 0.134 2.376 0.414 164 HD1 TYR 24 HD2 TYR 24 -0.959 0.857 2.015 165 HD2 TYR 24 HD1 TYR 24 -2.652 4.637 1.032 166 HE1 TYR 24 HE2 TYR 24 -3.118 0.128 2.944 167 HE2 TYR 24 HE1 TYR 24 -4.811 3.915 1.955 168 HH TYR 24 HH TYR 24 -6.012 1.859 2.442 169 H ALA 25 H ALA 25 0.778 6.350 1.352 170 HA ALA 25 HA ALA 25 -0.776 7.087 3.741 171 HB1 ALA 25 HB1 ALA 25 0.244 9.307 3.529 172 HB2 ALA 25 HB2 ALA 25 1.130 8.759 2.105 173 HB3 ALA 25 HB3 ALA 25 1.464 8.042 3.681 174 H PHE 26 H PHE 26 -2.835 7.625 3.365 175 HA PHE 26 HA PHE 26 -3.645 8.123 0.636 176 HB2 PHE 26 HB2 PHE 26 -5.975 8.071 1.563 177 HB3 PHE 26 HB3 PHE 26 -5.051 6.597 1.791 178 HD1 PHE 26 HD1 PHE 26 -4.040 6.164 4.077 179 HD2 PHE 26 HD2 PHE 26 -6.962 9.171 3.359 180 HE1 PHE 26 HE1 PHE 26 -4.593 6.196 6.476 181 HE2 PHE 26 HE2 PHE 26 -7.518 9.211 5.752 182 HZ PHE 26 HZ PHE 26 -6.333 7.724 7.317 183 H VAL 27 H VAL 27 -3.368 10.035 -0.124 184 HA VAL 27 HA VAL 27 -3.832 12.416 1.486 185 HB VAL 27 HB VAL 27 -1.852 12.600 0.224 186 HG11 VAL 27 HG11 VAL 27 -1.707 12.143 -2.178 187 HG12 VAL 27 HG12 VAL 27 -3.399 11.645 -2.179 188 HG13 VAL 27 HG13 VAL 27 -2.208 10.719 -1.268 189 HG21 VAL 27 HG21 VAL 27 -3.969 13.988 -1.407 190 HG22 VAL 27 HG22 VAL 27 -2.250 14.376 -1.403 191 HG23 VAL 27 HG23 VAL 27 -3.213 14.620 0.057 192 H LYS 28 H LYS 28 -5.566 13.679 1.316 193 HA LYS 28 HA LYS 28 -7.476 13.213 -0.864 194 HB2 LYS 28 HB2 LYS 28 -8.089 13.174 2.097 195 HB3 LYS 28 HB3 LYS 28 -9.322 13.333 0.855 196 HG2 LYS 28 HG2 LYS 28 -8.965 11.165 0.059 197 HG3 LYS 28 HG3 LYS 28 -7.408 11.027 0.875 198 HD2 LYS 28 HD2 LYS 28 -9.132 9.702 1.994 199 HD3 LYS 28 HD3 LYS 28 -8.522 10.989 3.034 200 HE2 LYS 28 HE2 LYS 28 -10.910 10.852 3.263 201 HE3 LYS 28 HE3 LYS 28 -10.495 12.353 2.443 202 HZ1 LYS 28 HZ1 LYS 28 -11.365 11.618 0.462 203 HZ2 LYS 28 HZ2 LYS 28 -12.413 10.869 1.570 204 HZ3 LYS 28 HZ3 LYS 28 -11.170 9.980 0.849 205 H ASP 29 H ASP 29 -8.130 15.037 -1.746 206 HA ASP 29 HA ASP 29 -8.617 17.213 -2.121 207 HB2 ASP 29 HB2 ASP 29 -10.059 16.829 -0.057 208 HB3 ASP 29 HB3 ASP 29 -8.781 17.611 0.871 209 H GLY 30 H GLY 30 -5.831 16.275 -1.532 210 HA2 GLY 30 HA2 GLY 30 -3.929 17.553 -2.168 211 HA3 GLY 30 HA3 GLY 30 -4.700 18.980 -1.494 212 H LYS 31 H LYS 31 -5.338 17.072 0.913 213 HA LYS 31 HA LYS 31 -2.715 17.491 2.185 214 HB2 LYS 31 HB2 LYS 31 -3.891 17.721 4.313 215 HB3 LYS 31 HB3 LYS 31 -4.455 18.910 3.147 216 HG2 LYS 31 HG2 LYS 31 -6.470 17.711 2.774 217 HG3 LYS 31 HG3 LYS 31 -5.879 16.320 3.686 218 HD2 LYS 31 HD2 LYS 31 -7.461 17.622 4.996 219 HD3 LYS 31 HD3 LYS 31 -5.859 17.660 5.725 220 HE2 LYS 31 HE2 LYS 31 -5.459 19.863 4.868 221 HE3 LYS 31 HE3 LYS 31 -6.955 19.821 3.940 222 HZ1 LYS 31 HZ1 LYS 31 -6.739 20.943 6.341 223 HZ2 LYS 31 HZ2 LYS 31 -7.244 19.385 6.793 224 HZ3 LYS 31 HZ3 LYS 31 -8.188 20.308 5.731 225 H VAL 32 H VAL 32 -2.207 16.003 3.963 226 HA VAL 32 HA VAL 32 -3.063 13.278 3.237 227 HB VAL 32 HB VAL 32 -0.552 14.122 4.697 228 HG11 VAL 32 HG11 VAL 32 -1.279 11.867 5.261 229 HG12 VAL 32 HG12 VAL 32 0.193 11.829 4.291 230 HG13 VAL 32 HG13 VAL 32 -1.363 11.452 3.549 231 HG21 VAL 32 HG21 VAL 32 -0.545 14.910 2.385 232 HG22 VAL 32 HG22 VAL 32 -0.898 13.275 1.822 233 HG23 VAL 32 HG23 VAL 32 0.634 13.620 2.626 234 H HIS 33 H HIS 33 -4.184 12.126 4.687 235 HA HIS 33 HA HIS 33 -4.795 13.383 7.221 236 HB2 HIS 33 HB2 HIS 33 -5.906 10.994 5.774 237 HB3 HIS 33 HB3 HIS 33 -6.322 11.316 7.455 238 HD1 HIS 33 HD1 HIS 33 -8.236 12.838 7.833 239 HD2 HIS 33 HD2 HIS 33 -6.671 13.238 4.001 240 HE1 HIS 33 HE1 HIS 33 -9.764 14.437 6.639 241 HE2 HIS 33 HE2 HIS 33 -8.910 14.513 4.270 242 H TYR 34 H TYR 34 -3.671 10.113 6.275 243 HA TYR 34 HA TYR 34 -2.077 10.058 8.727 244 HB2 TYR 34 HB2 TYR 34 -4.099 7.968 7.919 245 HB3 TYR 34 HB3 TYR 34 -2.820 7.664 9.088 246 HD1 TYR 34 HD1 TYR 34 -2.812 8.883 11.249 247 HD2 TYR 34 HD2 TYR 34 -6.066 9.186 8.527 248 HE1 TYR 34 HE1 TYR 34 -4.231 9.760 13.054 249 HE2 TYR 34 HE2 TYR 34 -7.493 10.067 10.324 250 HH TYR 34 HH TYR 34 -7.646 10.100 12.700 251 H GLU 35 H GLU 35 -0.224 8.862 8.617 252 HA GLU 35 HA GLU 35 0.219 7.158 6.294 253 HB2 GLU 35 HB2 GLU 35 2.673 8.189 6.395 254 HB3 GLU 35 HB3 GLU 35 1.414 8.868 5.381 255 HG2 GLU 35 HG2 GLU 35 2.527 10.668 6.454 256 HG3 GLU 35 HG3 GLU 35 0.939 10.515 7.194 257 H ASP 36 H ASP 36 1.252 5.300 6.760 258 HA ASP 36 HA ASP 36 2.985 5.013 9.024 259 HB2 ASP 36 HB2 ASP 36 0.577 4.947 9.964 260 HB3 ASP 36 HB3 ASP 36 0.443 3.389 9.156 261 H ALA 37 H ALA 37 3.495 2.572 9.313 262 HA ALA 37 HA ALA 37 3.241 1.051 6.838 263 HB1 ALA 37 HB1 ALA 37 5.938 1.872 7.927 264 HB2 ALA 37 HB2 ALA 37 5.198 2.482 6.446 265 HB3 ALA 37 HB3 ALA 37 5.653 0.783 6.571 266 H ASP 38 H ASP 38 3.759 -1.168 7.110 267 HA ASP 38 HA ASP 38 4.703 -2.059 9.715 268 HB2 ASP 38 HB2 ASP 38 2.316 -2.024 10.074 269 HB3 ASP 38 HB3 ASP 38 2.033 -2.880 8.561 270 H VAL 39 H VAL 39 5.275 -4.362 9.717 271 HA VAL 39 HA VAL 39 6.224 -5.124 7.048 272 HB VAL 39 HB VAL 39 7.946 -6.453 8.295 273 HG11 VAL 39 HG11 VAL 39 7.914 -3.477 8.750 274 HG12 VAL 39 HG12 VAL 39 8.484 -4.306 7.301 275 HG13 VAL 39 HG13 VAL 39 9.343 -4.508 8.827 276 HG21 VAL 39 HG21 VAL 39 8.399 -5.850 10.628 277 HG22 VAL 39 HG22 VAL 39 6.827 -6.630 10.447 278 HG23 VAL 39 HG23 VAL 39 6.925 -4.880 10.654 279 H GLY 40 H GLY 40 5.584 -6.977 6.172 280 HA2 GLY 40 HA2 GLY 40 5.041 -9.265 6.147 281 HA3 GLY 40 HA3 GLY 40 4.703 -9.180 7.870 282 H LYS 41 H LYS 41 2.791 -10.433 7.212 283 HA LYS 41 HA LYS 41 0.563 -8.617 6.652 284 HB2 LYS 41 HB2 LYS 41 1.098 -11.229 5.234 285 HB3 LYS 41 HB3 LYS 41 -0.477 -10.449 5.250 286 HG2 LYS 41 HG2 LYS 41 0.340 -8.586 4.033 287 HG3 LYS 41 HG3 LYS 41 2.014 -9.119 4.222 288 HD2 LYS 41 HD2 LYS 41 1.106 -9.608 1.982 289 HD3 LYS 41 HD3 LYS 41 1.575 -11.068 2.851 290 HE2 LYS 41 HE2 LYS 41 -0.816 -11.333 3.537 291 HE3 LYS 41 HE3 LYS 41 -1.213 -9.983 2.474 292 HZ1 LYS 41 HZ1 LYS 41 -0.547 -11.218 0.589 293 HZ2 LYS 41 HZ2 LYS 41 -1.530 -12.250 1.507 294 HZ3 LYS 41 HZ3 LYS 41 0.155 -12.444 1.530 295 H ASN 42 H ASN 42 -0.621 -8.744 8.468 296 HA ASN 42 HA ASN 42 -1.302 -11.440 9.432 297 HB2 ASN 42 HB2 ASN 42 -0.551 -9.021 11.071 298 HB3 ASN 42 HB3 ASN 42 -1.444 -10.374 11.751 299 HD21 ASN 42 HD21 ASN 42 1.279 -9.258 12.242 300 HD22 ASN 42 HD22 ASN 42 2.347 -10.608 12.091 301 HA PRO 43 HA PRO 43 -5.436 -9.990 8.906 302 HB2 PRO 43 HB2 PRO 43 -6.338 -12.119 10.673 303 HB3 PRO 43 HB3 PRO 43 -6.527 -11.971 8.926 304 HG2 PRO 43 HG2 PRO 43 -4.915 -13.823 10.082 305 HG3 PRO 43 HG3 PRO 43 -4.589 -13.122 8.486 306 HD2 PRO 43 HD2 PRO 43 -3.385 -12.440 11.142 307 HD3 PRO 43 HD3 PRO 43 -2.597 -12.599 9.556 308 H ALA 44 H ALA 44 -4.872 -11.175 12.252 309 HA ALA 44 HA ALA 44 -6.828 -9.334 13.295 310 HB1 ALA 44 HB1 ALA 44 -6.535 -11.540 14.304 311 HB2 ALA 44 HB2 ALA 44 -6.245 -10.259 15.480 312 HB3 ALA 44 HB3 ALA 44 -4.885 -11.119 14.759 313 H ALA 45 H ALA 45 -3.441 -9.325 12.770 314 HA ALA 45 HA ALA 45 -2.908 -7.210 14.673 315 HB1 ALA 45 HB1 ALA 45 -1.262 -8.986 14.360 316 HB2 ALA 45 HB2 ALA 45 -0.590 -7.405 13.960 317 HB3 ALA 45 HB3 ALA 45 -1.071 -8.510 12.672 318 H ALA 46 H ALA 46 -4.490 -7.096 11.934 319 HA ALA 46 HA ALA 46 -3.295 -5.444 10.108 320 HB1 ALA 46 HB1 ALA 46 -5.510 -6.466 9.834 321 HB2 ALA 46 HB2 ALA 46 -5.505 -4.751 9.424 322 HB3 ALA 46 HB3 ALA 46 -6.178 -5.288 10.964 323 H THR 47 H THR 47 -4.502 -4.511 13.267 324 HA THR 47 HA THR 47 -4.225 -1.684 12.759 325 HB THR 47 HB THR 47 -4.465 -1.568 15.306 326 HG1 THR 47 HG1 THR 47 -5.608 -4.016 15.511 327 HG21 THR 47 HG21 THR 47 -6.346 -1.168 13.821 328 HG22 THR 47 HG22 THR 47 -6.875 -2.104 15.219 329 HG23 THR 47 HG23 THR 47 -6.622 -2.905 13.669 330 H MET 48 H MET 48 -2.637 -3.889 15.012 331 HA MET 48 HA MET 48 -0.507 -4.360 15.530 332 HB2 MET 48 HB2 MET 48 -0.164 -4.377 13.071 333 HB3 MET 48 HB3 MET 48 0.276 -2.678 13.153 334 HG2 MET 48 HG2 MET 48 2.291 -3.886 13.046 335 HG3 MET 48 HG3 MET 48 2.133 -3.341 14.713 336 HE1 MET 48 HE1 MET 48 2.003 -4.946 16.783 337 HE2 MET 48 HE2 MET 48 1.422 -6.609 16.676 338 HE3 MET 48 HE3 MET 48 0.353 -5.274 16.252 339 H ARG 49 H ARG 49 -0.344 -1.015 14.339 340 HA ARG 49 HA ARG 49 1.243 -0.419 16.745 341 HB2 ARG 49 HB2 ARG 49 1.189 1.180 14.186 342 HB3 ARG 49 HB3 ARG 49 2.294 1.376 15.538 343 HG2 ARG 49 HG2 ARG 49 2.830 -1.164 14.954 344 HG3 ARG 49 HG3 ARG 49 2.295 -0.627 13.361 345 HD2 ARG 49 HD2 ARG 49 4.522 0.525 15.032 346 HD3 ARG 49 HD3 ARG 49 4.676 -0.353 13.514 347 HE ARG 49 HE ARG 49 3.374 1.629 12.555 348 HH11 ARG 49 HH11 ARG 49 5.562 1.852 15.285 349 HH12 ARG 49 HH12 ARG 49 5.992 3.502 14.972 350 HH21 ARG 49 HH21 ARG 49 3.945 3.786 12.125 351 HH22 ARG 49 HH22 ARG 49 5.074 4.611 13.179 352 H ASN 50 H ASN 50 -0.349 1.920 14.626 353 HA ASN 50 HA ASN 50 -2.497 2.437 16.421 354 HB2 ASN 50 HB2 ASN 50 -1.816 4.692 17.162 355 HB3 ASN 50 HB3 ASN 50 -0.747 3.446 17.788 356 HD21 ASN 50 HD21 ASN 50 -0.289 6.305 17.446 357 HD22 ASN 50 HD22 ASN 50 1.100 6.443 16.428 358 H VAL 51 H VAL 51 -0.412 4.083 14.027 359 HA VAL 51 HA VAL 51 -2.619 5.513 12.898 360 HB VAL 51 HB VAL 51 0.098 5.040 11.658 361 HG11 VAL 51 HG11 VAL 51 -1.564 5.859 10.081 362 HG12 VAL 51 HG12 VAL 51 -0.383 7.120 10.438 363 HG13 VAL 51 HG13 VAL 51 -1.983 7.174 11.178 364 HG21 VAL 51 HG21 VAL 51 0.331 6.017 13.887 365 HG22 VAL 51 HG22 VAL 51 -0.810 7.290 13.455 366 HG23 VAL 51 HG23 VAL 51 0.747 7.189 12.635 367 H ALA 52 H ALA 52 -0.762 2.640 11.984 368 HA ALA 52 HA ALA 52 -2.082 1.964 9.637 369 HB1 ALA 52 HB1 ALA 52 -1.026 0.084 11.747 370 HB2 ALA 52 HB2 ALA 52 -0.086 0.809 10.442 371 HB3 ALA 52 HB3 ALA 52 -1.380 -0.330 10.070 372 H GLY 53 H GLY 53 -3.206 1.817 12.913 373 HA2 GLY 53 HA2 GLY 53 -5.350 0.020 12.609 374 HA3 GLY 53 HA3 GLY 53 -5.273 1.325 13.787 375 H GLU 54 H GLU 54 -5.061 3.471 11.951 376 HA GLU 54 HA GLU 54 -7.787 3.826 11.172 377 HB2 GLU 54 HB2 GLU 54 -5.333 5.470 10.504 378 HB3 GLU 54 HB3 GLU 54 -6.998 5.973 10.231 379 HG2 GLU 54 HG2 GLU 54 -5.709 5.428 12.897 380 HG3 GLU 54 HG3 GLU 54 -6.104 7.009 12.226 381 H ILE 55 H ILE 55 -4.781 3.038 9.560 382 HA ILE 55 HA ILE 55 -5.649 3.235 6.893 383 HB ILE 55 HB ILE 55 -3.487 1.501 8.097 384 HG12 ILE 55 HG12 ILE 55 -3.374 4.180 6.696 385 HG13 ILE 55 HG13 ILE 55 -3.158 3.906 8.421 386 HG21 ILE 55 HG21 ILE 55 -4.140 0.581 5.957 387 HG22 ILE 55 HG22 ILE 55 -2.568 1.370 5.813 388 HG23 ILE 55 HG23 ILE 55 -4.018 2.171 5.208 389 HD11 ILE 55 HD11 ILE 55 -1.133 2.652 7.994 390 HD12 ILE 55 HD12 ILE 55 -1.038 4.249 7.254 391 HD13 ILE 55 HD13 ILE 55 -1.365 2.834 6.255 392 H ALA 56 H ALA 56 -5.754 0.579 9.220 393 HA ALA 56 HA ALA 56 -6.578 -1.495 7.565 394 HB1 ALA 56 HB1 ALA 56 -5.932 -1.781 9.910 395 HB2 ALA 56 HB2 ALA 56 -7.488 -2.538 9.565 396 HB3 ALA 56 HB3 ALA 56 -7.425 -0.993 10.414 397 H ALA 57 H ALA 57 -8.458 1.108 9.013 398 HA ALA 57 HA ALA 57 -10.986 0.080 8.108 399 HB1 ALA 57 HB1 ALA 57 -11.911 2.179 8.904 400 HB2 ALA 57 HB2 ALA 57 -10.290 2.850 9.083 401 HB3 ALA 57 HB3 ALA 57 -10.807 1.508 10.104 402 H ALA 58 H ALA 58 -8.682 2.505 7.003 403 HA ALA 58 HA ALA 58 -10.220 3.547 4.882 404 HB1 ALA 58 HB1 ALA 58 -8.093 4.431 4.039 405 HB2 ALA 58 HB2 ALA 58 -7.223 3.416 5.189 406 HB3 ALA 58 HB3 ALA 58 -8.274 4.704 5.773 407 H LEU 59 H LEU 59 -8.141 0.752 5.164 408 HA LEU 59 HA LEU 59 -7.886 0.115 2.437 409 HB2 LEU 59 HB2 LEU 59 -6.585 -0.889 4.310 410 HB3 LEU 59 HB3 LEU 59 -8.013 -1.787 4.775 411 HG LEU 59 HG LEU 59 -7.978 -2.929 2.569 412 HD11 LEU 59 HD11 LEU 59 -5.353 -1.483 2.240 413 HD12 LEU 59 HD12 LEU 59 -6.811 -1.245 1.277 414 HD13 LEU 59 HD13 LEU 59 -5.946 -2.781 1.204 415 HD21 LEU 59 HD21 LEU 59 -6.069 -4.369 3.067 416 HD22 LEU 59 HD22 LEU 59 -6.976 -3.972 4.527 417 HD23 LEU 59 HD23 LEU 59 -5.447 -3.161 4.190 418 H TYR 60 H TYR 60 -10.425 -0.508 4.776 419 HA TYR 60 HA TYR 60 -11.870 -2.373 3.195 420 HB2 TYR 60 HB2 TYR 60 -12.076 -1.695 5.763 421 HB3 TYR 60 HB3 TYR 60 -13.309 -0.606 5.129 422 HD1 TYR 60 HD2 TYR 60 -15.113 -1.705 3.584 423 HD2 TYR 60 HD1 TYR 60 -12.644 -3.878 6.280 424 HE1 TYR 60 HE2 TYR 60 -16.718 -3.568 3.543 425 HE2 TYR 60 HE1 TYR 60 -14.242 -5.746 6.248 426 HH TYR 60 HH TYR 60 -16.653 -6.058 3.947 427 H ALA 61 H ALA 61 -11.779 1.118 3.389 428 HA ALA 61 HA ALA 61 -14.041 1.642 1.771 429 HB1 ALA 61 HB1 ALA 61 -13.089 3.871 1.476 430 HB2 ALA 61 HB2 ALA 61 -11.556 3.310 2.146 431 HB3 ALA 61 HB3 ALA 61 -12.994 3.362 3.163 432 H VAL 62 H VAL 62 -10.716 0.817 1.088 433 HA VAL 62 HA VAL 62 -10.817 1.358 -1.716 434 HB VAL 62 HB VAL 62 -8.975 -0.554 -0.262 435 HG11 VAL 62 HG11 VAL 62 -7.471 -0.171 -2.162 436 HG12 VAL 62 HG12 VAL 62 -8.702 0.835 -2.925 437 HG13 VAL 62 HG13 VAL 62 -9.001 -0.884 -2.672 438 HG21 VAL 62 HG21 VAL 62 -7.374 1.306 -0.207 439 HG22 VAL 62 HG22 VAL 62 -8.829 1.667 0.721 440 HG23 VAL 62 HG23 VAL 62 -8.603 2.376 -0.878 441 H LYS 63 H LYS 63 -11.418 -1.451 0.326 442 HA LYS 63 HA LYS 63 -11.856 -3.345 -1.709 443 HB2 LYS 63 HB2 LYS 63 -11.625 -3.824 0.759 444 HB3 LYS 63 HB3 LYS 63 -13.253 -3.210 0.980 445 HG2 LYS 63 HG2 LYS 63 -12.701 -5.481 -0.898 446 HG3 LYS 63 HG3 LYS 63 -12.893 -5.749 0.833 447 HD2 LYS 63 HD2 LYS 63 -15.112 -4.777 0.770 448 HD3 LYS 63 HD3 LYS 63 -14.918 -4.388 -0.938 449 HE2 LYS 63 HE2 LYS 63 -16.244 -6.365 -0.791 450 HE3 LYS 63 HE3 LYS 63 -14.652 -6.830 -1.388 451 HZ1 LYS 63 HZ1 LYS 63 -15.384 -8.389 0.262 452 HZ2 LYS 63 HZ2 LYS 63 -15.665 -7.157 1.387 453 HZ3 LYS 63 HZ3 LYS 63 -14.080 -7.512 0.898 454 H LYS 64 H LYS 64 -13.959 -0.990 -0.161 455 HA LYS 64 HA LYS 64 -16.386 -1.685 -1.388 456 HB2 LYS 64 HB2 LYS 64 -16.377 -0.239 0.522 457 HB3 LYS 64 HB3 LYS 64 -15.341 0.924 -0.289 458 HG2 LYS 64 HG2 LYS 64 -17.203 1.329 -1.910 459 HG3 LYS 64 HG3 LYS 64 -18.226 0.317 -0.889 460 HD2 LYS 64 HD2 LYS 64 -16.752 2.741 0.119 461 HD3 LYS 64 HD3 LYS 64 -18.408 2.796 -0.485 462 HE2 LYS 64 HE2 LYS 64 -17.487 1.037 1.779 463 HE3 LYS 64 HE3 LYS 64 -18.217 2.626 1.996 464 HZ1 LYS 64 HZ1 LYS 64 -20.191 1.811 0.824 465 HZ2 LYS 64 HZ2 LYS 64 -19.876 0.924 2.235 466 HZ3 LYS 64 HZ3 LYS 64 -19.493 0.267 0.720 467 H ALA 65 H ALA 65 -13.662 0.184 -2.523 468 HA ALA 65 HA ALA 65 -14.878 1.716 -4.503 469 HB1 ALA 65 HB1 ALA 65 -12.585 2.066 -3.707 470 HB2 ALA 65 HB2 ALA 65 -12.673 1.973 -5.466 471 HB3 ALA 65 HB3 ALA 65 -12.083 0.594 -4.538 472 H SER 66 H SER 66 -14.001 -1.657 -4.522 473 HA SER 66 HA SER 66 -13.935 -2.112 -7.290 474 HB2 SER 66 HB2 SER 66 -14.349 -4.476 -6.717 475 HB3 SER 66 HB3 SER 66 -13.131 -3.762 -5.660 476 HG SER 66 HG SER 66 -14.534 -3.767 -3.997 477 H GLN 67 H GLN 67 -16.590 -1.880 -5.015 478 HA GLN 67 HA GLN 67 -18.605 -2.919 -6.712 479 HB2 GLN 67 HB2 GLN 67 -18.706 -1.137 -4.279 480 HB3 GLN 67 HB3 GLN 67 -20.124 -1.805 -5.062 481 HG2 GLN 67 HG2 GLN 67 -19.417 -4.048 -4.562 482 HG3 GLN 67 HG3 GLN 67 -17.898 -3.447 -3.894 483 HE21 GLN 67 HE21 GLN 67 -18.328 -4.426 -1.904 484 HE22 GLN 67 HE22 GLN 67 -19.493 -3.782 -0.800 485 H LEU 68 H LEU 68 -17.347 0.303 -6.068 486 HA LEU 68 HA LEU 68 -19.364 1.606 -7.652 487 HB2 LEU 68 HB2 LEU 68 -16.845 2.567 -6.318 488 HB3 LEU 68 HB3 LEU 68 -17.778 3.608 -7.372 489 HG LEU 68 HG LEU 68 -19.749 3.238 -5.852 490 HD11 LEU 68 HD11 LEU 68 -19.270 2.469 -3.567 491 HD12 LEU 68 HD12 LEU 68 -17.644 2.011 -4.076 492 HD13 LEU 68 HD13 LEU 68 -19.047 1.190 -4.759 493 HD21 LEU 68 HD21 LEU 68 -18.406 5.265 -5.782 494 HD22 LEU 68 HD22 LEU 68 -17.290 4.494 -4.655 495 HD23 LEU 68 HD23 LEU 68 -18.955 4.812 -4.169 496 H GLY 69 H GLY 69 -16.236 0.246 -8.180 497 HA2 GLY 69 HA2 GLY 69 -15.362 -0.340 -10.266 498 HA3 GLY 69 HA3 GLY 69 -16.530 0.722 -11.035 499 H VAL 70 H VAL 70 -14.608 1.854 -8.381 500 HA VAL 70 HA VAL 70 -13.078 3.518 -10.267 501 HB VAL 70 HB VAL 70 -12.808 5.133 -8.383 502 HG11 VAL 70 HG11 VAL 70 -14.497 5.509 -10.087 503 HG12 VAL 70 HG12 VAL 70 -15.093 6.035 -8.512 504 HG13 VAL 70 HG13 VAL 70 -15.645 4.508 -9.198 505 HG21 VAL 70 HG21 VAL 70 -13.189 3.600 -6.518 506 HG22 VAL 70 HG22 VAL 70 -14.867 3.396 -7.020 507 HG23 VAL 70 HG23 VAL 70 -14.302 4.966 -6.451 508 H LYS 71 H LYS 71 -10.871 3.748 -9.966 509 HA LYS 71 HA LYS 71 -9.685 1.809 -8.087 510 HB2 LYS 71 HB2 LYS 71 -8.525 2.628 -10.751 511 HB3 LYS 71 HB3 LYS 71 -7.978 1.329 -9.702 512 HG2 LYS 71 HG2 LYS 71 -9.999 0.079 -10.143 513 HG3 LYS 71 HG3 LYS 71 -10.624 1.402 -11.128 514 HD2 LYS 71 HD2 LYS 71 -8.556 1.125 -12.558 515 HD3 LYS 71 HD3 LYS 71 -8.271 -0.382 -11.685 516 HE2 LYS 71 HE2 LYS 71 -10.461 -1.202 -12.377 517 HE3 LYS 71 HE3 LYS 71 -10.759 0.304 -13.241 518 HZ1 LYS 71 HZ1 LYS 71 -10.053 -1.314 -14.801 519 HZ2 LYS 71 HZ2 LYS 71 -8.713 -1.753 -13.866 520 HZ3 LYS 71 HZ3 LYS 71 -8.768 -0.227 -14.610 521 H ILE 72 H ILE 72 -7.618 2.374 -7.221 522 HA ILE 72 HA ILE 72 -7.066 5.263 -7.358 523 HB ILE 72 HB ILE 72 -6.082 5.095 -5.089 524 HG12 ILE 72 HG12 ILE 72 -7.118 2.946 -3.841 525 HG13 ILE 72 HG13 ILE 72 -6.837 2.244 -5.429 526 HG21 ILE 72 HG21 ILE 72 -8.966 4.242 -5.278 527 HG22 ILE 72 HG22 ILE 72 -8.357 5.893 -5.380 528 HG23 ILE 72 HG23 ILE 72 -8.203 4.988 -3.874 529 HD11 ILE 72 HD11 ILE 72 -4.767 3.580 -3.703 530 HD12 ILE 72 HD12 ILE 72 -4.486 2.872 -5.295 531 HD13 ILE 72 HD13 ILE 72 -4.963 1.845 -3.943 532 H ARG 73 H ARG 73 -4.880 5.915 -7.440 533 HA ARG 73 HA ARG 73 -3.159 3.775 -8.491 534 HB2 ARG 73 HB2 ARG 73 -3.582 6.600 -9.375 535 HB3 ARG 73 HB3 ARG 73 -2.018 5.848 -9.645 536 HG2 ARG 73 HG2 ARG 73 -3.313 5.594 -11.625 537 HG3 ARG 73 HG3 ARG 73 -3.177 4.013 -10.857 538 HD2 ARG 73 HD2 ARG 73 -5.422 4.306 -9.902 539 HD3 ARG 73 HD3 ARG 73 -5.553 5.866 -10.713 540 HE ARG 73 HE ARG 73 -4.956 3.728 -12.532 541 HH11 ARG 73 HH11 ARG 73 -7.535 5.371 -10.809 542 HH12 ARG 73 HH12 ARG 73 -8.777 4.871 -11.917 543 HH21 ARG 73 HH21 ARG 73 -6.580 3.062 -13.990 544 HH22 ARG 73 HH22 ARG 73 -8.228 3.548 -13.722 545 H ILE 74 H ILE 74 -1.921 3.228 -6.785 546 HA ILE 74 HA ILE 74 -0.488 5.253 -5.296 547 HB ILE 74 HB ILE 74 0.605 3.372 -4.149 548 HG12 ILE 74 HG12 ILE 74 -0.789 1.101 -4.784 549 HG13 ILE 74 HG13 ILE 74 -0.555 1.834 -6.365 550 HG21 ILE 74 HG21 ILE 74 -1.363 2.484 -3.008 551 HG22 ILE 74 HG22 ILE 74 -2.384 3.072 -4.320 552 HG23 ILE 74 HG23 ILE 74 -1.510 4.217 -3.303 553 HD11 ILE 74 HD11 ILE 74 1.861 1.924 -5.945 554 HD12 ILE 74 HD12 ILE 74 1.227 0.280 -5.881 555 HD13 ILE 74 HD13 ILE 74 1.603 1.141 -4.388 556 H LEU 75 H LEU 75 1.490 5.995 -5.797 557 HA LEU 75 HA LEU 75 3.355 6.437 -7.034 558 HB2 LEU 75 HB2 LEU 75 3.303 3.447 -7.465 559 HB3 LEU 75 HB3 LEU 75 4.649 4.489 -7.884 560 HG LEU 75 HG LEU 75 3.595 4.078 -5.084 561 HD11 LEU 75 HD11 LEU 75 6.056 2.967 -6.428 562 HD12 LEU 75 HD12 LEU 75 4.620 2.050 -5.970 563 HD13 LEU 75 HD13 LEU 75 5.633 2.780 -4.725 564 HD21 LEU 75 HD21 LEU 75 6.065 5.482 -6.094 565 HD22 LEU 75 HD22 LEU 75 5.626 5.242 -4.402 566 HD23 LEU 75 HD23 LEU 75 4.628 6.263 -5.438 567 H HIS 76 H HIS 76 0.688 6.424 -8.254 568 HA HIS 76 HA HIS 76 -0.242 6.972 -10.233 569 HB2 HIS 76 HB2 HIS 76 2.612 6.936 -11.018 570 HB3 HIS 76 HB3 HIS 76 1.436 6.781 -12.321 571 HD1 HIS 76 HD1 HIS 76 0.724 8.929 -13.271 572 HD2 HIS 76 HD2 HIS 76 1.856 9.308 -9.292 573 HE1 HIS 76 HE1 HIS 76 0.497 11.372 -12.737 574 HE2 HIS 76 HE2 HIS 76 0.881 11.507 -10.252 575 H ASP 77 H ASP 77 -0.232 5.939 -12.713 576 HA ASP 77 HA ASP 77 -1.270 3.289 -12.110 577 HB2 ASP 77 HB2 ASP 77 -2.514 5.080 -13.447 578 HB3 ASP 77 HB3 ASP 77 -1.397 4.732 -14.762 579 H TYR 78 H TYR 78 -0.013 1.574 -12.331 580 HA TYR 78 HA TYR 78 2.237 1.729 -14.227 581 HB2 TYR 78 HB2 TYR 78 2.629 1.660 -11.651 582 HB3 TYR 78 HB3 TYR 78 2.229 -0.047 -11.805 583 HD1 TYR 78 HD2 TYR 78 4.484 2.531 -13.283 584 HD2 TYR 78 HD1 TYR 78 3.936 -1.559 -12.252 585 HE1 TYR 78 HE2 TYR 78 6.819 2.071 -13.896 586 HE2 TYR 78 HE1 TYR 78 6.272 -2.030 -12.862 587 HH TYR 78 HH TYR 78 8.039 -1.053 -14.302 588 H ALA 79 H ALA 79 2.934 -0.290 -15.184 589 HA ALA 79 HA ALA 79 0.649 -1.825 -16.067 590 HB1 ALA 79 HB1 ALA 79 2.163 -2.741 -17.739 591 HB2 ALA 79 HB2 ALA 79 3.530 -1.964 -16.943 592 HB3 ALA 79 HB3 ALA 79 2.269 -0.981 -17.688 593 H GLY 80 H GLY 80 2.979 -2.190 -13.663 594 HA2 GLY 80 HA2 GLY 80 3.647 -4.917 -13.879 595 HA3 GLY 80 HA3 GLY 80 3.772 -3.943 -12.425 596 H ILE 81 H ILE 81 0.698 -3.506 -12.983 597 HA ILE 81 HA ILE 81 -0.232 -5.206 -10.978 598 HB ILE 81 HB ILE 81 -1.425 -3.186 -11.536 599 HG12 ILE 81 HG12 ILE 81 -3.139 -5.603 -12.151 600 HG13 ILE 81 HG13 ILE 81 -2.721 -5.033 -10.539 601 HG21 ILE 81 HG21 ILE 81 -2.710 -2.945 -13.602 602 HG22 ILE 81 HG22 ILE 81 -2.071 -4.484 -14.179 603 HG23 ILE 81 HG23 ILE 81 -0.984 -3.118 -13.925 604 HD11 ILE 81 HD11 ILE 81 -4.346 -3.525 -12.578 605 HD12 ILE 81 HD12 ILE 81 -3.933 -2.960 -10.959 606 HD13 ILE 81 HD13 ILE 81 -4.971 -4.370 -11.161 607 H ALA 82 H ALA 82 -0.065 -5.681 -14.456 608 HA ALA 82 HA ALA 82 -1.683 -8.084 -14.388 609 HB1 ALA 82 HB1 ALA 82 -1.206 -8.222 -16.779 610 HB2 ALA 82 HB2 ALA 82 -0.054 -6.895 -16.632 611 HB3 ALA 82 HB3 ALA 82 -1.770 -6.610 -16.336 612 H PHE 83 H PHE 83 1.531 -7.304 -13.755 613 HA PHE 83 HA PHE 83 2.548 -9.898 -14.615 614 HB2 PHE 83 HB2 PHE 83 3.950 -7.480 -13.468 615 HB3 PHE 83 HB3 PHE 83 4.761 -8.982 -13.901 616 HD1 PHE 83 HD1 PHE 83 4.739 -9.733 -16.287 617 HD2 PHE 83 HD2 PHE 83 3.437 -5.858 -15.102 618 HE1 PHE 83 HE1 PHE 83 4.991 -8.941 -18.602 619 HE2 PHE 83 HE2 PHE 83 3.685 -5.063 -17.415 620 HZ PHE 83 HZ PHE 83 4.462 -6.603 -19.169 621 H TRP 84 H TRP 84 0.873 -8.893 -12.041 622 HA TRP 84 HA TRP 84 2.367 -10.121 -9.934 623 HB2 TRP 84 HB2 TRP 84 -0.432 -9.112 -10.221 624 HB3 TRP 84 HB3 TRP 84 -0.046 -10.179 -8.874 625 HD1 TRP 84 HD1 TRP 84 0.672 -6.677 -10.217 626 HE1 TRP 84 HE1 TRP 84 1.769 -5.280 -8.353 627 HE3 TRP 84 HE3 TRP 84 1.359 -10.374 -6.766 628 HZ2 TRP 84 HZ2 TRP 84 2.771 -5.706 -5.738 629 HZ3 TRP 84 HZ3 TRP 84 2.391 -9.804 -4.609 630 HH2 TRP 84 HH2 TRP 84 3.084 -7.517 -4.105 631 H ALA 85 H ALA 85 -0.287 -11.153 -12.026 632 HA ALA 85 HA ALA 85 -0.712 -13.651 -10.806 633 HB1 ALA 85 HB1 ALA 85 -2.331 -12.551 -12.304 634 HB2 ALA 85 HB2 ALA 85 -1.993 -14.216 -12.779 635 HB3 ALA 85 HB3 ALA 85 -1.264 -12.879 -13.668 636 H THR 86 H THR 86 1.323 -12.675 -13.534 637 HA THR 86 HA THR 86 2.241 -15.412 -13.873 638 HB THR 86 HB THR 86 3.452 -14.512 -15.845 639 HG1 THR 86 HG1 THR 86 3.134 -12.344 -16.415 640 HG21 THR 86 HG21 THR 86 1.147 -15.330 -16.082 641 HG22 THR 86 HG22 THR 86 1.469 -13.992 -17.185 642 HG23 THR 86 HG23 THR 86 0.540 -13.713 -15.710 643 H GLY 87 H GLY 87 3.129 -12.690 -12.103 644 HA2 GLY 87 HA2 GLY 87 5.999 -13.153 -12.246 645 HA3 GLY 87 HA3 GLY 87 5.190 -11.879 -11.346 646 H GLU 88 H GLU 88 3.333 -13.691 -10.015 647 HA GLU 88 HA GLU 88 4.938 -14.563 -7.841 648 HB2 GLU 88 HB2 GLU 88 2.058 -14.959 -8.603 649 HB3 GLU 88 HB3 GLU 88 2.747 -15.804 -7.221 650 HG2 GLU 88 HG2 GLU 88 2.737 -12.816 -7.586 651 HG3 GLU 88 HG3 GLU 88 1.585 -13.725 -6.606 652 H TRP 89 H TRP 89 2.987 -16.420 -10.151 653 HA TRP 89 HA TRP 89 5.148 -18.190 -10.720 654 HB2 TRP 89 HB2 TRP 89 4.129 -19.029 -8.488 655 HB3 TRP 89 HB3 TRP 89 2.744 -19.511 -9.463 656 HD1 TRP 89 HD1 TRP 89 2.997 -21.661 -10.972 657 HE1 TRP 89 HE1 TRP 89 4.814 -23.477 -11.171 658 HE3 TRP 89 HE3 TRP 89 6.734 -19.369 -8.340 659 HZ2 TRP 89 HZ2 TRP 89 7.467 -23.878 -10.330 660 HZ3 TRP 89 HZ3 TRP 89 8.882 -20.541 -8.083 661 HH2 TRP 89 HH2 TRP 89 9.240 -22.749 -9.058 662 H LYS 90 H LYS 90 4.894 -18.797 -12.786 663 HA LYS 90 HA LYS 90 2.722 -17.774 -14.270 664 HB2 LYS 90 HB2 LYS 90 4.887 -18.025 -15.303 665 HB3 LYS 90 HB3 LYS 90 4.867 -19.762 -15.026 666 HG2 LYS 90 HG2 LYS 90 3.064 -20.045 -16.588 667 HG3 LYS 90 HG3 LYS 90 2.916 -18.299 -16.791 668 HD2 LYS 90 HD2 LYS 90 5.365 -19.913 -17.495 669 HD3 LYS 90 HD3 LYS 90 4.126 -19.408 -18.645 670 HE2 LYS 90 HE2 LYS 90 4.586 -17.040 -17.941 671 HE3 LYS 90 HE3 LYS 90 5.975 -17.652 -17.041 672 HZ1 LYS 90 HZ1 LYS 90 6.857 -18.548 -19.118 673 HZ2 LYS 90 HZ2 LYS 90 6.646 -16.866 -19.205 674 HZ3 LYS 90 HZ3 LYS 90 5.537 -17.904 -19.967 675 H ALA 91 H ALA 91 0.780 -18.552 -14.586 676 HA ALA 91 HA ALA 91 0.019 -21.105 -13.545 677 HB1 ALA 91 HB1 ALA 91 -1.572 -19.086 -15.119 678 HB2 ALA 91 HB2 ALA 91 -1.451 -19.166 -13.362 679 HB3 ALA 91 HB3 ALA 91 -2.231 -20.473 -14.253 680 H LYS 92 H LYS 92 1.126 -22.620 -14.769 681 HA LYS 92 HA LYS 92 0.840 -22.773 -17.622 682 HB2 LYS 92 HB2 LYS 92 2.838 -23.662 -16.572 683 HB3 LYS 92 HB3 LYS 92 1.878 -24.740 -15.569 684 HG2 LYS 92 HG2 LYS 92 1.158 -25.948 -17.577 685 HG3 LYS 92 HG3 LYS 92 2.163 -24.882 -18.561 686 HD2 LYS 92 HD2 LYS 92 4.158 -25.661 -17.423 687 HD3 LYS 92 HD3 LYS 92 3.180 -26.661 -16.348 688 HE2 LYS 92 HE2 LYS 92 2.423 -27.987 -18.247 689 HE3 LYS 92 HE3 LYS 92 3.360 -26.969 -19.342 690 HZ1 LYS 92 HZ1 LYS 92 4.441 -29.113 -18.713 691 HZ2 LYS 92 HZ2 LYS 92 4.572 -28.532 -17.127 692 HZ3 LYS 92 HZ3 LYS 92 5.373 -27.736 -18.386 693 H ASN 93 H ASN 93 -0.732 -24.116 -14.827 694 HA ASN 93 HA ASN 93 -2.706 -25.427 -16.580 695 HB2 ASN 93 HB2 ASN 93 -1.800 -26.385 -13.850 696 HB3 ASN 93 HB3 ASN 93 -2.987 -27.169 -14.885 697 HD21 ASN 93 HD21 ASN 93 -2.298 -28.388 -16.622 698 HD22 ASN 93 HD22 ASN 93 -0.629 -28.800 -16.878 699 H GLU 94 H GLU 94 -4.845 -25.743 -15.348 700 HA GLU 94 HA GLU 94 -5.654 -23.251 -14.240 701 HB2 GLU 94 HB2 GLU 94 -7.020 -25.912 -14.534 702 HB3 GLU 94 HB3 GLU 94 -7.784 -24.577 -13.679 703 HG2 GLU 94 HG2 GLU 94 -7.631 -23.191 -15.656 704 HG3 GLU 94 HG3 GLU 94 -6.803 -24.485 -16.518 705 H PHE 95 H PHE 95 -4.573 -26.279 -12.901 706 HA PHE 95 HA PHE 95 -5.130 -25.913 -10.204 707 HB2 PHE 95 HB2 PHE 95 -4.082 -27.946 -11.077 708 HB3 PHE 95 HB3 PHE 95 -2.634 -27.043 -11.501 709 HD1 PHE 95 HD1 PHE 95 -4.654 -28.323 -8.689 710 HD2 PHE 95 HD2 PHE 95 -0.956 -26.589 -9.896 711 HE1 PHE 95 HE1 PHE 95 -3.698 -28.823 -6.474 712 HE2 PHE 95 HE2 PHE 95 0.001 -27.084 -7.687 713 HZ PHE 95 HZ PHE 95 -1.370 -28.202 -5.972 714 H THR 96 H THR 96 -2.377 -24.728 -12.107 715 HA THR 96 HA THR 96 -1.255 -23.169 -10.011 716 HB THR 96 HB THR 96 -0.792 -22.476 -12.886 717 HG1 THR 96 HG1 THR 96 0.290 -24.810 -11.645 718 HG21 THR 96 HG21 THR 96 0.427 -21.335 -11.069 719 HG22 THR 96 HG22 THR 96 1.507 -22.249 -12.122 720 HG23 THR 96 HG23 THR 96 1.067 -22.891 -10.538 721 H GLN 97 H GLN 97 -3.573 -22.582 -12.584 722 HA GLN 97 HA GLN 97 -3.638 -19.808 -12.562 723 HB2 GLN 97 HB2 GLN 97 -5.509 -21.953 -13.401 724 HB3 GLN 97 HB3 GLN 97 -6.165 -20.341 -13.213 725 HG2 GLN 97 HG2 GLN 97 -4.346 -19.528 -14.734 726 HG3 GLN 97 HG3 GLN 97 -3.958 -21.219 -15.045 727 HE21 GLN 97 HE21 GLN 97 -6.338 -18.704 -15.417 728 HE22 GLN 97 HE22 GLN 97 -7.253 -19.480 -16.674 729 H ALA 98 H ALA 98 -5.166 -22.133 -10.423 730 HA ALA 98 HA ALA 98 -7.008 -20.490 -9.146 731 HB1 ALA 98 HB1 ALA 98 -6.875 -22.901 -8.789 732 HB2 ALA 98 HB2 ALA 98 -6.837 -22.027 -7.258 733 HB3 ALA 98 HB3 ALA 98 -5.349 -22.695 -7.929 734 H TYR 99 H TYR 99 -3.538 -20.751 -8.713 735 HA TYR 99 HA TYR 99 -3.406 -19.120 -6.367 736 HB2 TYR 99 HB2 TYR 99 -1.664 -20.777 -6.915 737 HB3 TYR 99 HB3 TYR 99 -1.253 -19.864 -8.361 738 HD1 TYR 99 HD2 TYR 99 -1.650 -19.202 -4.698 739 HD2 TYR 99 HD1 TYR 99 0.628 -18.556 -8.230 740 HE1 TYR 99 HE2 TYR 99 -0.034 -17.875 -3.406 741 HE2 TYR 99 HE1 TYR 99 2.249 -17.225 -6.948 742 HH TYR 99 HH TYR 99 2.376 -15.939 -4.880 743 H ALA 100 H ALA 100 -2.935 -18.585 -9.831 744 HA ALA 100 HA ALA 100 -2.164 -15.857 -9.597 745 HB1 ALA 100 HB1 ALA 100 -3.313 -17.322 -11.974 746 HB2 ALA 100 HB2 ALA 100 -1.603 -17.219 -11.553 747 HB3 ALA 100 HB3 ALA 100 -2.487 -15.763 -12.012 748 H LYS 101 H LYS 101 -5.215 -17.520 -10.041 749 HA LYS 101 HA LYS 101 -6.792 -15.220 -10.567 750 HB2 LYS 101 HB2 LYS 101 -7.457 -17.527 -11.160 751 HB3 LYS 101 HB3 LYS 101 -7.615 -17.908 -9.452 752 HG2 LYS 101 HG2 LYS 101 -9.498 -16.530 -9.207 753 HG3 LYS 101 HG3 LYS 101 -9.208 -15.723 -10.752 754 HD2 LYS 101 HD2 LYS 101 -9.879 -18.654 -10.470 755 HD3 LYS 101 HD3 LYS 101 -11.067 -17.390 -10.805 756 HE2 LYS 101 HE2 LYS 101 -9.975 -16.830 -12.870 757 HE3 LYS 101 HE3 LYS 101 -8.645 -17.932 -12.516 758 HZ1 LYS 101 HZ1 LYS 101 -11.459 -18.813 -12.853 759 HZ2 LYS 101 HZ2 LYS 101 -10.074 -19.793 -12.766 760 HZ3 LYS 101 HZ3 LYS 101 -10.324 -18.791 -14.113 761 H LEU 102 H LEU 102 -5.680 -16.805 -7.660 762 HA LEU 102 HA LEU 102 -7.318 -15.545 -5.767 763 HB2 LEU 102 HB2 LEU 102 -5.678 -17.413 -5.354 764 HB3 LEU 102 HB3 LEU 102 -4.388 -16.235 -5.458 765 HG LEU 102 HG LEU 102 -6.580 -15.919 -3.425 766 HD11 LEU 102 HD11 LEU 102 -5.169 -17.134 -1.826 767 HD12 LEU 102 HD12 LEU 102 -4.070 -17.567 -3.134 768 HD13 LEU 102 HD13 LEU 102 -5.725 -18.176 -3.134 769 HD21 LEU 102 HD21 LEU 102 -3.682 -15.077 -3.479 770 HD22 LEU 102 HD22 LEU 102 -4.838 -14.733 -2.193 771 HD23 LEU 102 HD23 LEU 102 -5.066 -14.031 -3.794 772 H MET 103 H MET 103 -4.302 -14.529 -7.305 773 HA MET 103 HA MET 103 -4.163 -11.999 -6.018 774 HB2 MET 103 HB2 MET 103 -2.879 -13.126 -8.496 775 HB3 MET 103 HB3 MET 103 -2.637 -11.454 -8.014 776 HG2 MET 103 HG2 MET 103 -1.995 -13.837 -6.297 777 HG3 MET 103 HG3 MET 103 -0.828 -12.966 -7.290 778 HE1 MET 103 HE1 MET 103 0.143 -11.900 -3.651 779 HE2 MET 103 HE2 MET 103 0.707 -12.618 -5.160 780 HE3 MET 103 HE3 MET 103 -0.465 -13.475 -4.158 781 H ASN 104 H ASN 104 -5.393 -13.077 -9.153 782 HA ASN 104 HA ASN 104 -6.051 -10.604 -10.261 783 HB2 ASN 104 HB2 ASN 104 -6.083 -12.818 -11.446 784 HB3 ASN 104 HB3 ASN 104 -7.606 -13.174 -10.636 785 HD21 ASN 104 HD21 ASN 104 -8.835 -13.261 -12.479 786 HD22 ASN 104 HD22 ASN 104 -9.165 -11.879 -13.464 787 H GLN 105 H GLN 105 -7.825 -12.635 -8.027 788 HA GLN 105 HA GLN 105 -10.303 -11.468 -7.981 789 HB2 GLN 105 HB2 GLN 105 -9.301 -13.492 -6.720 790 HB3 GLN 105 HB3 GLN 105 -8.868 -12.316 -5.489 791 HG2 GLN 105 HG2 GLN 105 -11.283 -11.646 -5.484 792 HG3 GLN 105 HG3 GLN 105 -11.596 -13.097 -6.430 793 HE21 GLN 105 HE21 GLN 105 -9.091 -12.945 -4.020 794 HE22 GLN 105 HE22 GLN 105 -9.844 -13.997 -2.876 795 H TYR 106 H TYR 106 -7.340 -10.426 -6.346 796 HA TYR 106 HA TYR 106 -8.771 -8.224 -5.073 797 HB2 TYR 106 HB2 TYR 106 -7.206 -9.661 -3.763 798 HB3 TYR 106 HB3 TYR 106 -5.881 -9.058 -4.752 799 HD1 TYR 106 HD2 TYR 106 -8.375 -8.147 -2.194 800 HD2 TYR 106 HD1 TYR 106 -4.950 -6.889 -4.376 801 HE1 TYR 106 HE2 TYR 106 -8.107 -6.241 -0.664 802 HE2 TYR 106 HE1 TYR 106 -4.671 -4.982 -2.857 803 HH TYR 106 HH TYR 106 -6.087 -3.624 -1.309 804 H ARG 107 H ARG 107 -6.608 -8.817 -7.704 805 HA ARG 107 HA ARG 107 -5.450 -6.256 -7.947 806 HB2 ARG 107 HB2 ARG 107 -5.999 -8.396 -10.002 807 HB3 ARG 107 HB3 ARG 107 -5.105 -6.931 -10.354 808 HG2 ARG 107 HG2 ARG 107 -4.284 -8.891 -8.232 809 HG3 ARG 107 HG3 ARG 107 -3.739 -8.988 -9.905 810 HD2 ARG 107 HD2 ARG 107 -2.044 -7.881 -8.643 811 HD3 ARG 107 HD3 ARG 107 -2.823 -6.678 -9.666 812 HE ARG 107 HE ARG 107 -3.785 -5.704 -7.764 813 HH11 ARG 107 HH11 ARG 107 -1.763 -8.448 -6.969 814 HH12 ARG 107 HH12 ARG 107 -1.685 -8.070 -5.284 815 HH21 ARG 107 HH21 ARG 107 -3.692 -5.191 -5.549 816 HH22 ARG 107 HH22 ARG 107 -2.783 -6.207 -4.469 817 H GLY 108 H GLY 108 -6.065 -4.450 -9.090 818 HA2 GLY 108 HA2 GLY 108 -7.675 -3.817 -11.004 819 HA3 GLY 108 HA3 GLY 108 -8.893 -4.382 -9.871 820 H ILE 109 H ILE 109 -9.090 -3.265 -7.826 821 HA ILE 109 HA ILE 109 -8.956 -0.430 -8.268 822 HB ILE 109 HB ILE 109 -10.159 -0.167 -6.178 823 HG12 ILE 109 HG12 ILE 109 -9.002 -2.073 -4.969 824 HG13 ILE 109 HG13 ILE 109 -10.734 -1.941 -4.700 825 HG21 ILE 109 HG21 ILE 109 -12.195 -1.410 -6.771 826 HG22 ILE 109 HG22 ILE 109 -11.250 -2.384 -7.896 827 HG23 ILE 109 HG23 ILE 109 -11.431 -0.651 -8.169 828 HD11 ILE 109 HD11 ILE 109 -10.035 -4.253 -4.950 829 HD12 ILE 109 HD12 ILE 109 -9.377 -3.897 -6.548 830 HD13 ILE 109 HD13 ILE 109 -11.113 -3.778 -6.261 831 H TYR 110 H TYR 110 -7.174 -2.760 -6.377 832 HA TYR 110 HA TYR 110 -5.330 -0.614 -5.636 833 HB2 TYR 110 HB2 TYR 110 -6.781 -1.004 -3.682 834 HB3 TYR 110 HB3 TYR 110 -6.349 -2.710 -3.706 835 HD1 TYR 110 HD2 TYR 110 -4.992 0.699 -3.171 836 HD2 TYR 110 HD1 TYR 110 -4.371 -3.477 -2.655 837 HE1 TYR 110 HE2 TYR 110 -3.067 1.170 -1.716 838 HE2 TYR 110 HE1 TYR 110 -2.445 -3.016 -1.195 839 HH TYR 110 HH TYR 110 -1.795 0.055 0.079 840 H SER 111 H SER 111 -3.218 -1.187 -5.558 841 HA SER 111 HA SER 111 -2.351 -3.930 -5.632 842 HB2 SER 111 HB2 SER 111 -1.745 -2.095 -7.979 843 HB3 SER 111 HB3 SER 111 -1.134 -3.733 -7.753 844 HG SER 111 HG SER 111 -3.494 -2.906 -8.785 845 H PHE 112 H PHE 112 0.124 -3.932 -5.696 846 HA PHE 112 HA PHE 112 1.248 -1.353 -4.828 847 HB2 PHE 112 HB2 PHE 112 1.046 -3.046 -2.945 848 HB3 PHE 112 HB3 PHE 112 2.168 -4.068 -3.838 849 HD1 PHE 112 HD1 PHE 112 1.797 -0.898 -2.008 850 HD2 PHE 112 HD2 PHE 112 4.506 -3.598 -3.874 851 HE1 PHE 112 HE1 PHE 112 3.687 0.284 -0.963 852 HE2 PHE 112 HE2 PHE 112 6.398 -2.424 -2.831 853 HZ PHE 112 HZ PHE 112 5.991 -0.483 -1.375 854 H GLU 113 H GLU 113 3.225 -0.833 -5.840 855 HA GLU 113 HA GLU 113 4.077 -2.784 -7.842 856 HB2 GLU 113 HB2 GLU 113 2.895 -0.135 -8.347 857 HB3 GLU 113 HB3 GLU 113 4.300 -0.559 -9.325 858 HG2 GLU 113 HG2 GLU 113 1.685 -2.011 -9.104 859 HG3 GLU 113 HG3 GLU 113 2.423 -1.292 -10.538 860 H LYS 114 H LYS 114 6.051 -2.473 -8.814 861 HA LYS 114 HA LYS 114 8.012 -1.246 -7.027 862 HB2 LYS 114 HB2 LYS 114 8.336 -3.434 -9.096 863 HB3 LYS 114 HB3 LYS 114 9.567 -2.870 -7.990 864 HG2 LYS 114 HG2 LYS 114 8.958 -4.535 -6.650 865 HG3 LYS 114 HG3 LYS 114 7.493 -3.611 -6.321 866 HD2 LYS 114 HD2 LYS 114 7.671 -5.462 -8.683 867 HD3 LYS 114 HD3 LYS 114 7.248 -6.062 -7.081 868 HE2 LYS 114 HE2 LYS 114 5.346 -4.560 -6.995 869 HE3 LYS 114 HE3 LYS 114 5.794 -3.865 -8.548 870 HZ1 LYS 114 HZ1 LYS 114 3.997 -5.467 -8.760 871 HZ2 LYS 114 HZ2 LYS 114 4.977 -6.686 -8.096 872 HZ3 LYS 114 HZ3 LYS 114 5.373 -5.998 -9.590 873 H VAL 115 H VAL 115 8.282 0.797 -7.859 874 HA VAL 115 HA VAL 115 8.661 1.008 -10.770 875 HB VAL 115 HB VAL 115 8.029 3.351 -10.619 876 HG11 VAL 115 HG11 VAL 115 6.046 1.559 -9.223 877 HG12 VAL 115 HG12 VAL 115 6.259 1.717 -10.968 878 HG13 VAL 115 HG13 VAL 115 5.671 3.086 -10.023 879 HG21 VAL 115 HG21 VAL 115 8.886 3.838 -8.384 880 HG22 VAL 115 HG22 VAL 115 7.608 2.853 -7.675 881 HG23 VAL 115 HG23 VAL 115 7.200 4.331 -8.544 882 H LYS 116 H LYS 116 10.397 2.101 -11.607 883 HA LYS 116 HA LYS 116 12.542 2.697 -9.692 884 HB2 LYS 116 HB2 LYS 116 12.847 1.086 -11.707 885 HB3 LYS 116 HB3 LYS 116 12.888 2.552 -12.677 886 HG2 LYS 116 HG2 LYS 116 15.133 1.834 -12.153 887 HG3 LYS 116 HG3 LYS 116 14.784 3.364 -11.341 888 HD2 LYS 116 HD2 LYS 116 14.344 2.181 -9.261 889 HD3 LYS 116 HD3 LYS 116 14.609 0.633 -10.064 890 HE2 LYS 116 HE2 LYS 116 16.934 1.333 -10.545 891 HE3 LYS 116 HE3 LYS 116 16.646 2.812 -9.625 892 HZ1 LYS 116 HZ1 LYS 116 16.225 1.493 -7.665 893 HZ2 LYS 116 HZ2 LYS 116 17.746 1.091 -8.302 894 HZ3 LYS 116 HZ3 LYS 116 16.424 0.054 -8.541 895 H ALA 117 H ALA 117 11.751 4.714 -9.056 896 HA ALA 117 HA ALA 117 11.853 6.792 -11.130 897 HB1 ALA 117 HB1 ALA 117 9.752 6.571 -8.978 898 HB2 ALA 117 HB2 ALA 117 9.513 6.252 -10.695 899 HB3 ALA 117 HB3 ALA 117 9.904 7.882 -10.147 900 H HIS 118 H HIS 118 12.383 8.873 -10.406 901 HA HIS 118 HA HIS 118 13.629 8.966 -7.736 902 HB2 HIS 118 HB2 HIS 118 15.261 8.950 -9.623 903 HB3 HIS 118 HB3 HIS 118 14.514 10.412 -10.249 904 HD1 HIS 118 HD1 HIS 118 15.963 12.341 -9.791 905 HD2 HIS 118 HD2 HIS 118 16.033 9.592 -6.669 906 HE1 HIS 118 HE1 HIS 118 17.496 13.326 -8.054 907 HE2 HIS 118 HE2 HIS 118 17.678 11.556 -6.267 908 H SER 119 H SER 119 10.951 9.713 -9.017 909 HA SER 119 HA SER 119 10.816 12.579 -8.632 910 HB2 SER 119 HB2 SER 119 9.561 11.411 -10.459 911 HB3 SER 119 HB3 SER 119 8.588 10.611 -9.227 912 HG SER 119 HG SER 119 7.873 12.671 -8.549 913 H GLY 120 H GLY 120 11.540 11.001 -6.341 914 HA2 GLY 120 HA2 GLY 120 9.464 10.572 -4.527 915 HA3 GLY 120 HA3 GLY 120 11.125 10.960 -4.094 916 H ASN 121 H ASN 121 7.959 12.031 -4.153 917 HA ASN 121 HA ASN 121 8.401 14.845 -4.224 918 HB2 ASN 121 HB2 ASN 121 6.238 13.663 -4.794 919 HB3 ASN 121 HB3 ASN 121 6.005 13.406 -3.068 920 HD21 ASN 121 HD21 ASN 121 6.074 15.728 -5.642 921 HD22 ASN 121 HD22 ASN 121 5.335 17.030 -4.759 922 H GLU 122 H GLU 122 7.793 16.283 -2.361 923 HA GLU 122 HA GLU 122 9.531 15.744 -0.203 924 HB2 GLU 122 HB2 GLU 122 7.403 17.872 -0.470 925 HB3 GLU 122 HB3 GLU 122 8.691 17.860 0.730 926 HG2 GLU 122 HG2 GLU 122 10.352 17.976 -1.075 927 HG3 GLU 122 HG3 GLU 122 9.045 18.030 -2.257 928 H PHE 123 H PHE 123 6.136 15.187 -0.676 929 HA PHE 123 HA PHE 123 5.461 14.828 2.070 930 HB2 PHE 123 HB2 PHE 123 4.155 13.931 -0.495 931 HB3 PHE 123 HB3 PHE 123 3.505 13.501 1.083 932 HD1 PHE 123 HD1 PHE 123 2.801 15.333 2.641 933 HD2 PHE 123 HD2 PHE 123 3.743 16.030 -1.448 934 HE1 PHE 123 HE1 PHE 123 1.579 17.467 2.730 935 HE2 PHE 123 HE2 PHE 123 2.528 18.167 -1.369 936 HZ PHE 123 HZ PHE 123 1.443 18.887 0.723 937 H ASN 124 H ASN 124 7.009 12.853 -0.304 938 HA ASN 124 HA ASN 124 6.368 10.294 0.632 939 HB2 ASN 124 HB2 ASN 124 8.803 11.293 -0.844 940 HB3 ASN 124 HB3 ASN 124 8.549 9.595 -0.463 941 HD21 ASN 124 HD21 ASN 124 8.383 8.900 -2.534 942 HD22 ASN 124 HD22 ASN 124 7.062 9.305 -3.572 943 H ASP 125 H ASP 125 8.584 12.652 1.848 944 HA ASP 125 HA ASP 125 10.409 11.094 3.236 945 HB2 ASP 125 HB2 ASP 125 10.619 13.530 2.984 946 HB3 ASP 125 HB3 ASP 125 9.250 13.765 4.065 947 H TYR 126 H TYR 126 7.096 11.881 4.044 948 HA TYR 126 HA TYR 126 7.232 11.089 6.768 949 HB2 TYR 126 HB2 TYR 126 4.922 11.438 4.866 950 HB3 TYR 126 HB3 TYR 126 4.707 10.970 6.550 951 HD1 TYR 126 HD1 TYR 126 5.539 12.524 8.347 952 HD2 TYR 126 HD2 TYR 126 5.239 13.701 4.273 953 HE1 TYR 126 HE1 TYR 126 5.625 14.880 9.032 954 HE2 TYR 126 HE2 TYR 126 5.323 16.066 4.945 955 HH TYR 126 HH TYR 126 6.302 17.067 7.989 956 H VAL 127 H VAL 127 5.898 9.425 3.895 957 HA VAL 127 HA VAL 127 5.433 7.004 5.314 958 HB VAL 127 HB VAL 127 4.236 7.599 3.217 959 HG11 VAL 127 HG11 VAL 127 6.851 6.936 1.875 960 HG12 VAL 127 HG12 VAL 127 6.065 8.516 1.925 961 HG13 VAL 127 HG13 VAL 127 5.311 7.181 1.052 962 HG21 VAL 127 HG21 VAL 127 5.715 4.971 3.158 963 HG22 VAL 127 HG22 VAL 127 4.250 5.340 2.246 964 HG23 VAL 127 HG23 VAL 127 4.208 5.309 4.008 965 H ASP 128 H ASP 128 8.175 8.377 3.700 966 HA ASP 128 HA ASP 128 9.734 6.048 3.375 967 HB2 ASP 128 HB2 ASP 128 10.319 8.091 2.222 968 HB3 ASP 128 HB3 ASP 128 10.532 8.940 3.750 969 H MET 129 H MET 129 9.823 8.538 5.943 970 HA MET 129 HA MET 129 11.719 7.211 7.536 971 HB2 MET 129 HB2 MET 129 11.087 8.708 9.326 972 HB3 MET 129 HB3 MET 129 11.113 9.599 7.813 973 HG2 MET 129 HG2 MET 129 8.706 9.512 7.677 974 HG3 MET 129 HG3 MET 129 8.634 8.522 9.133 975 HE1 MET 129 HE1 MET 129 6.891 10.139 10.231 976 HE2 MET 129 HE2 MET 129 6.902 11.154 8.791 977 HE3 MET 129 HE3 MET 129 7.111 11.882 10.385 978 H LYS 130 H LYS 130 8.239 6.899 7.318 979 HA LYS 130 HA LYS 130 7.888 5.331 9.659 980 HB2 LYS 130 HB2 LYS 130 6.223 5.690 7.169 981 HB3 LYS 130 HB3 LYS 130 5.720 4.659 8.500 982 HG2 LYS 130 HG2 LYS 130 6.352 7.587 8.787 983 HG3 LYS 130 HG3 LYS 130 4.728 6.944 8.527 984 HD2 LYS 130 HD2 LYS 130 4.869 5.683 10.594 985 HD3 LYS 130 HD3 LYS 130 6.534 6.215 10.833 986 HE2 LYS 130 HE2 LYS 130 5.000 7.493 12.225 987 HE3 LYS 130 HE3 LYS 130 5.776 8.525 11.027 988 HZ1 LYS 130 HZ1 LYS 130 3.119 7.352 10.500 989 HZ2 LYS 130 HZ2 LYS 130 3.824 8.736 9.817 990 HZ3 LYS 130 HZ3 LYS 130 3.271 8.762 11.421 991 H ALA 131 H ALA 131 8.177 4.468 6.216 992 HA ALA 131 HA ALA 131 7.992 1.682 6.596 993 HB1 ALA 131 HB1 ALA 131 9.346 3.160 4.344 994 HB2 ALA 131 HB2 ALA 131 7.624 2.787 4.430 995 HB3 ALA 131 HB3 ALA 131 8.805 1.481 4.321 996 H LYS 132 H LYS 132 10.812 3.824 6.273 997 HA LYS 132 HA LYS 132 12.773 1.829 6.343 998 HB2 LYS 132 HB2 LYS 132 12.801 4.742 7.004 999 HB3 LYS 132 HB3 LYS 132 14.229 3.748 7.265 1000 HG2 LYS 132 HG2 LYS 132 13.976 3.009 4.854 1001 HG3 LYS 132 HG3 LYS 132 12.811 4.322 4.687 1002 HD2 LYS 132 HD2 LYS 132 14.422 5.960 5.100 1003 HD3 LYS 132 HD3 LYS 132 15.554 4.796 5.793 1004 HE2 LYS 132 HE2 LYS 132 16.331 5.381 3.624 1005 HE3 LYS 132 HE3 LYS 132 15.737 3.734 3.555 1006 HZ1 LYS 132 HZ1 LYS 132 15.049 5.069 1.638 1007 HZ2 LYS 132 HZ2 LYS 132 14.210 6.127 2.669 1008 HZ3 LYS 132 HZ3 LYS 132 13.721 4.516 2.530 1009 H SER 133 H SER 133 11.325 3.693 9.011 1010 HA SER 133 HA SER 133 12.973 2.599 11.029 1011 HB2 SER 133 HB2 SER 133 11.551 4.698 11.199 1012 HB3 SER 133 HB3 SER 133 10.160 3.638 11.427 1013 HG SER 133 HG SER 133 11.803 4.501 13.269 1014 H ALA 134 H ALA 134 9.935 1.563 9.597 1015 HA ALA 134 HA ALA 134 9.338 -0.461 11.498 1016 HB1 ALA 134 HB1 ALA 134 7.732 -1.275 9.852 1017 HB2 ALA 134 HB2 ALA 134 8.454 -0.238 8.621 1018 HB3 ALA 134 HB3 ALA 134 7.639 0.480 10.010 1019 H LEU 135 H LEU 135 11.492 -0.295 8.812 1020 HA LEU 135 HA LEU 135 11.818 -3.189 8.673 1021 HB2 LEU 135 HB2 LEU 135 13.053 -0.940 7.079 1022 HB3 LEU 135 HB3 LEU 135 13.419 -2.636 6.829 1023 HG LEU 135 HG LEU 135 10.677 -1.410 6.491 1024 HD11 LEU 135 HD11 LEU 135 11.062 -1.657 4.098 1025 HD12 LEU 135 HD12 LEU 135 12.702 -2.225 4.412 1026 HD13 LEU 135 HD13 LEU 135 12.248 -0.571 4.819 1027 HD21 LEU 135 HD21 LEU 135 11.758 -4.141 5.808 1028 HD22 LEU 135 HD22 LEU 135 10.153 -3.541 5.397 1029 HD23 LEU 135 HD23 LEU 135 10.602 -3.764 7.087 1030 H GLY 136 H GLY 136 12.820 -0.871 10.668 1031 HA2 GLY 136 HA2 GLY 136 14.383 -1.057 12.367 1032 HA3 GLY 136 HA3 GLY 136 15.051 -2.459 11.548 1033 H ILE 137 H ILE 137 14.687 0.218 9.515 1034 HA ILE 137 HA ILE 137 17.577 0.484 9.374 1035 HB ILE 137 HB ILE 137 15.438 1.760 7.660 1036 HG12 ILE 137 HG12 ILE 137 17.180 -0.664 7.135 1037 HG13 ILE 137 HG13 ILE 137 15.466 -0.713 7.535 1038 HG21 ILE 137 HG21 ILE 137 18.423 1.550 7.265 1039 HG22 ILE 137 HG22 ILE 137 17.511 3.022 7.608 1040 HG23 ILE 137 HG23 ILE 137 17.278 2.175 6.079 1041 HD11 ILE 137 HD11 ILE 137 15.807 -1.011 5.162 1042 HD12 ILE 137 HD12 ILE 137 16.679 0.519 5.072 1043 HD13 ILE 137 HD13 ILE 137 14.961 0.505 5.475 1044 H ARG 138 H ARG 138 18.665 2.028 10.371 1045 HA ARG 138 HA ARG 138 17.397 4.609 10.840 1046 HB2 ARG 138 HB2 ARG 138 18.002 4.710 13.173 1047 HB3 ARG 138 HB3 ARG 138 16.997 3.298 12.903 1048 HG2 ARG 138 HG2 ARG 138 19.988 3.111 12.984 1049 HG3 ARG 138 HG3 ARG 138 19.012 3.069 14.450 1050 HD2 ARG 138 HD2 ARG 138 17.736 1.161 13.399 1051 HD3 ARG 138 HD3 ARG 138 18.979 1.134 12.147 1052 HE ARG 138 HE ARG 138 20.370 1.026 14.502 1053 HH11 ARG 138 HH11 ARG 138 17.912 -0.929 12.943 1054 HH12 ARG 138 HH12 ARG 138 18.334 -2.383 13.801 1055 HH21 ARG 138 HH21 ARG 138 20.947 -0.883 15.623 1056 HH22 ARG 138 HH22 ARG 138 20.079 -2.362 15.318 1057 H ASP 139 H ASP 139 19.124 6.153 11.843 1058 HA ASP 139 HA ASP 139 21.261 6.171 9.949 1059 HB2 ASP 139 HB2 ASP 139 20.261 8.272 10.599 1060 HB3 ASP 139 HB3 ASP 139 20.683 7.992 12.287 1061 H LEU 140 H LEU 140 23.002 5.035 10.126 1062 HA LEU 140 HA LEU 140 23.963 4.159 12.728 1063 HB2 LEU 140 HB2 LEU 140 24.895 3.414 9.956 1064 HB3 LEU 140 HB3 LEU 140 25.428 2.668 11.449 1065 HG LEU 140 HG LEU 140 22.609 2.568 10.371 1066 HD11 LEU 140 HD11 LEU 140 24.774 0.469 10.413 1067 HD12 LEU 140 HD12 LEU 140 24.136 1.287 8.985 1068 HD13 LEU 140 HD13 LEU 140 23.100 0.210 9.922 1069 HD21 LEU 140 HD21 LEU 140 22.238 0.907 12.120 1070 HD22 LEU 140 HD22 LEU 140 22.696 2.465 12.807 1071 HD23 LEU 140 HD23 LEU 140 23.877 1.158 12.717 1072 H GLU 141 H GLU 141 24.742 6.594 10.374 1073 HA GLU 141 HA GLU 141 27.468 6.755 11.451 1074 HB2 GLU 141 HB2 GLU 141 28.419 6.857 9.189 1075 HB3 GLU 141 HB3 GLU 141 27.644 5.316 9.529 1076 HG2 GLU 141 HG2 GLU 141 25.706 5.963 8.243 1077 HG3 GLU 141 HG3 GLU 141 26.393 7.565 7.972 1078 H HIS 142 H HIS 142 24.749 8.476 10.173 1079 HA HIS 142 HA HIS 142 26.302 10.668 9.127 1080 HB2 HIS 142 HB2 HIS 142 23.326 10.446 9.628 1081 HB3 HIS 142 HB3 HIS 142 24.108 11.794 8.811 1082 HD1 HIS 142 HD1 HIS 142 24.511 11.557 6.345 1083 HD2 HIS 142 HD2 HIS 142 23.483 7.956 8.158 1084 HE1 HIS 142 HE1 HIS 142 24.186 9.916 4.465 1085 HE2 HIS 142 HE2 HIS 142 23.444 7.775 5.577 1086 H HIS 143 H HIS 143 27.545 11.423 10.773 1087 HA HIS 143 HA HIS 143 26.164 12.477 13.134 1088 HB2 HIS 143 HB2 HIS 143 28.382 12.588 14.198 1089 HB3 HIS 143 HB3 HIS 143 27.990 10.961 13.664 1090 HD1 HIS 143 HD1 HIS 143 30.500 13.611 13.343 1091 HD2 HIS 143 HD2 HIS 143 29.470 10.119 11.331 1092 HE1 HIS 143 HE1 HIS 143 32.483 13.046 11.906 1093 HE2 HIS 143 HE2 HIS 143 31.907 10.838 10.840 1094 H HIS 144 H HIS 144 27.051 14.528 14.019 1095 HA HIS 144 HA HIS 144 27.123 16.773 13.845 1096 HB2 HIS 144 HB2 HIS 144 29.248 16.515 12.606 1097 HB3 HIS 144 HB3 HIS 144 28.343 16.381 11.099 1098 HD1 HIS 144 HD1 HIS 144 29.005 18.512 9.935 1099 HD2 HIS 144 HD2 HIS 144 27.789 19.155 13.861 1100 HE1 HIS 144 HE1 HIS 144 28.849 21.005 10.197 1101 HE2 HIS 144 HE2 HIS 144 27.970 21.369 12.530 1102 H HIS 145 H HIS 145 26.215 15.477 10.634 1103 HA HIS 145 HA HIS 145 24.039 17.358 10.430 1104 HB2 HIS 145 HB2 HIS 145 25.196 16.497 8.400 1105 HB3 HIS 145 HB3 HIS 145 24.582 14.889 8.759 1106 HD1 HIS 145 HD1 HIS 145 23.449 18.283 7.586 1107 HD2 HIS 145 HD2 HIS 145 21.940 14.429 8.010 1108 HE1 HIS 145 HE1 HIS 145 21.247 18.279 6.380 1109 HE2 HIS 145 HE2 HIS 145 20.245 16.027 6.880 1110 H HIS 146 H HIS 146 23.027 16.914 12.392 1111 HA HIS 146 HA HIS 146 20.829 15.160 12.248 1112 HB2 HIS 146 HB2 HIS 146 22.835 13.601 12.858 1113 HB3 HIS 146 HB3 HIS 146 22.736 14.360 14.442 1114 HD1 HIS 146 HD1 HIS 146 20.947 11.993 12.176 1115 HD2 HIS 146 HD2 HIS 146 20.486 13.621 15.979 1116 HE1 HIS 146 HE1 HIS 146 19.154 10.627 13.289 1117 HE2 HIS 146 HE2 HIS 146 19.020 11.513 15.641 1118 H HIS 147 H HIS 147 23.102 16.903 14.283 1119 HA HIS 147 HA HIS 147 21.203 18.878 14.912 1120 HB2 HIS 147 HB2 HIS 147 21.001 18.633 17.305 1121 HB3 HIS 147 HB3 HIS 147 20.433 17.157 16.540 1122 HD1 HIS 147 HD1 HIS 147 23.154 18.505 18.709 1123 HD2 HIS 147 HD2 HIS 147 21.901 14.864 17.159 1124 HE1 HIS 147 HE1 HIS 147 24.445 16.762 19.974 1125 HE2 HIS 147 HE2 HIS 147 23.455 14.579 19.206 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -14.690 21.098 -0.258 2 H2 MET 1 H2 MET 1 -13.524 22.299 -0.011 3 H3 MET 1 H3 MET 1 -14.292 21.582 1.315 4 HA MET 1 HA MET 1 -12.456 20.248 -0.582 5 HB2 MET 1 HB2 MET 1 -11.358 21.768 1.022 6 HB3 MET 1 HB3 MET 1 -12.161 20.943 2.349 7 HG2 MET 1 HG2 MET 1 -10.940 18.924 1.900 8 HG3 MET 1 HG3 MET 1 -10.209 19.645 0.467 9 HE1 MET 1 HE1 MET 1 -9.587 22.617 1.473 10 HE2 MET 1 HE2 MET 1 -8.490 21.625 0.513 11 HE3 MET 1 HE3 MET 1 -7.912 22.406 1.986 12 H ASP 2 H ASP 2 -13.370 18.345 -1.002 13 HA ASP 2 HA ASP 2 -14.342 16.736 1.271 14 HB2 ASP 2 HB2 ASP 2 -15.675 17.018 -1.434 15 HB3 ASP 2 HB3 ASP 2 -16.137 15.842 -0.211 16 H ASP 3 H ASP 3 -13.583 16.605 -2.189 17 HA ASP 3 HA ASP 3 -12.616 15.065 -3.530 18 HB2 ASP 3 HB2 ASP 3 -10.819 15.485 -1.558 19 HB3 ASP 3 HB3 ASP 3 -11.084 13.755 -1.360 20 H ARG 4 H ARG 4 -14.212 13.735 -4.168 21 HA ARG 4 HA ARG 4 -14.893 11.473 -2.404 22 HB2 ARG 4 HB2 ARG 4 -16.807 13.197 -3.986 23 HB3 ARG 4 HB3 ARG 4 -17.252 11.757 -3.081 24 HG2 ARG 4 HG2 ARG 4 -16.899 12.779 -1.028 25 HG3 ARG 4 HG3 ARG 4 -15.875 14.035 -1.722 26 HD2 ARG 4 HD2 ARG 4 -18.842 13.755 -2.200 27 HD3 ARG 4 HD3 ARG 4 -18.102 14.878 -1.058 28 HE ARG 4 HE ARG 4 -17.181 15.093 -3.801 29 HH11 ARG 4 HH11 ARG 4 -19.372 16.289 -1.341 30 HH12 ARG 4 HH12 ARG 4 -19.699 17.782 -2.181 31 HH21 ARG 4 HH21 ARG 4 -17.625 17.027 -4.920 32 HH22 ARG 4 HH22 ARG 4 -18.727 18.189 -4.242 33 H THR 5 H THR 5 -13.449 12.106 -5.198 34 HA THR 5 HA THR 5 -14.386 9.609 -6.382 35 HB THR 5 HB THR 5 -15.777 11.147 -7.549 36 HG1 THR 5 HG1 THR 5 -15.231 9.928 -9.183 37 HG21 THR 5 HG21 THR 5 -14.936 13.094 -8.772 38 HG22 THR 5 HG22 THR 5 -13.311 12.780 -8.164 39 HG23 THR 5 HG23 THR 5 -14.599 13.229 -7.045 40 H GLU 6 H GLU 6 -12.709 8.394 -6.776 41 HA GLU 6 HA GLU 6 -10.618 7.638 -7.154 42 HB2 GLU 6 HB2 GLU 6 -10.569 10.090 -8.895 43 HB3 GLU 6 HB3 GLU 6 -9.204 8.987 -8.792 44 HG2 GLU 6 HG2 GLU 6 -10.664 7.148 -9.518 45 HG3 GLU 6 HG3 GLU 6 -11.989 8.295 -9.692 46 H TYR 7 H TYR 7 -9.616 7.615 -5.246 47 HA TYR 7 HA TYR 7 -8.512 10.079 -4.158 48 HB2 TYR 7 HB2 TYR 7 -8.733 7.297 -2.997 49 HB3 TYR 7 HB3 TYR 7 -7.999 8.660 -2.160 50 HD1 TYR 7 HD2 TYR 7 -11.165 7.263 -3.432 51 HD2 TYR 7 HD1 TYR 7 -9.338 10.381 -1.186 52 HE1 TYR 7 HE2 TYR 7 -13.373 7.939 -2.586 53 HE2 TYR 7 HE1 TYR 7 -11.538 11.066 -0.338 54 HH TYR 7 HH TYR 7 -13.895 10.896 -1.008 55 H ASP 8 H ASP 8 -6.321 10.137 -3.356 56 HA ASP 8 HA ASP 8 -4.520 8.929 -5.297 57 HB2 ASP 8 HB2 ASP 8 -4.138 11.154 -3.287 58 HB3 ASP 8 HB3 ASP 8 -2.845 10.532 -4.308 59 H VAL 9 H VAL 9 -3.604 7.071 -4.799 60 HA VAL 9 HA VAL 9 -2.497 6.779 -2.085 61 HB VAL 9 HB VAL 9 -3.562 4.544 -3.834 62 HG11 VAL 9 HG11 VAL 9 -1.603 3.831 -2.569 63 HG12 VAL 9 HG12 VAL 9 -3.064 3.087 -1.916 64 HG13 VAL 9 HG13 VAL 9 -2.323 4.452 -1.083 65 HG21 VAL 9 HG21 VAL 9 -5.215 4.229 -2.043 66 HG22 VAL 9 HG22 VAL 9 -5.358 5.816 -2.797 67 HG23 VAL 9 HG23 VAL 9 -4.581 5.656 -1.221 68 H TYR 10 H TYR 10 -0.364 6.996 -2.233 69 HA TYR 10 HA TYR 10 0.934 6.332 -4.770 70 HB2 TYR 10 HB2 TYR 10 1.835 7.983 -2.411 71 HB3 TYR 10 HB3 TYR 10 2.893 7.573 -3.756 72 HD1 TYR 10 HD1 TYR 10 2.504 8.547 -5.982 73 HD2 TYR 10 HD2 TYR 10 0.112 9.636 -2.640 74 HE1 TYR 10 HE1 TYR 10 1.710 10.528 -7.206 75 HE2 TYR 10 HE2 TYR 10 -0.694 11.617 -3.852 76 HH TYR 10 HH TYR 10 -0.222 12.066 -7.183 77 H THR 11 H THR 11 2.742 5.030 -4.891 78 HA THR 11 HA THR 11 3.719 3.669 -2.522 79 HB THR 11 HB THR 11 2.699 2.040 -4.863 80 HG1 THR 11 HG1 THR 11 1.340 3.079 -2.711 81 HG21 THR 11 HG21 THR 11 4.491 0.998 -3.566 82 HG22 THR 11 HG22 THR 11 2.961 0.153 -3.315 83 HG23 THR 11 HG23 THR 11 3.577 1.253 -2.082 84 H ASP 12 H ASP 12 5.865 3.188 -2.747 85 HA ASP 12 HA ASP 12 7.062 2.634 -5.287 86 HB2 ASP 12 HB2 ASP 12 6.929 5.167 -5.267 87 HB3 ASP 12 HB3 ASP 12 8.021 5.140 -3.888 88 H GLY 13 H GLY 13 7.377 0.752 -3.955 89 HA2 GLY 13 HA2 GLY 13 9.301 -0.418 -3.079 90 HA3 GLY 13 HA3 GLY 13 9.721 1.040 -2.191 91 H SER 14 H SER 14 9.453 -1.583 -1.119 92 HA SER 14 HA SER 14 7.759 -0.972 1.118 93 HB2 SER 14 HB2 SER 14 7.142 -3.402 -0.593 94 HB3 SER 14 HB3 SER 14 6.462 -3.096 1.005 95 HG SER 14 HG SER 14 6.112 -0.931 -0.537 96 H TYR 15 H TYR 15 9.471 -3.629 -0.518 97 HA TYR 15 HA TYR 15 10.950 -4.064 1.981 98 HB2 TYR 15 HB2 TYR 15 11.471 -6.304 1.202 99 HB3 TYR 15 HB3 TYR 15 9.730 -6.067 1.144 100 HD1 TYR 15 HD1 TYR 15 12.795 -6.317 -0.909 101 HD2 TYR 15 HD2 TYR 15 8.539 -6.233 -0.925 102 HE1 TYR 15 HE1 TYR 15 12.798 -7.054 -3.251 103 HE2 TYR 15 HE2 TYR 15 8.534 -6.964 -3.276 104 HH TYR 15 HH TYR 15 11.380 -8.120 -4.848 105 H VAL 16 H VAL 16 13.260 -4.612 1.691 106 HA VAL 16 HA VAL 16 14.403 -3.785 -0.862 107 HB VAL 16 HB VAL 16 14.497 -1.736 0.403 108 HG11 VAL 16 HG11 VAL 16 14.280 -2.616 2.654 109 HG12 VAL 16 HG12 VAL 16 15.674 -1.541 2.536 110 HG13 VAL 16 HG13 VAL 16 15.907 -3.289 2.566 111 HG21 VAL 16 HG21 VAL 16 17.183 -3.094 0.287 112 HG22 VAL 16 HG22 VAL 16 16.935 -1.358 0.479 113 HG23 VAL 16 HG23 VAL 16 16.402 -2.166 -0.995 114 H ASN 17 H ASN 17 15.512 -5.464 -1.508 115 HA ASN 17 HA ASN 17 16.771 -7.342 -1.554 116 HB2 ASN 17 HB2 ASN 17 18.114 -5.972 0.777 117 HB3 ASN 17 HB3 ASN 17 18.741 -7.420 -0.006 118 HD21 ASN 17 HD21 ASN 17 18.451 -4.026 -0.137 119 HD22 ASN 17 HD22 ASN 17 19.303 -3.780 -1.624 120 H GLY 18 H GLY 18 14.312 -7.482 -0.103 121 HA2 GLY 18 HA2 GLY 18 13.436 -9.607 0.521 122 HA3 GLY 18 HA3 GLY 18 14.960 -9.970 1.305 123 H GLN 19 H GLN 19 14.932 -7.266 2.697 124 HA GLN 19 HA GLN 19 13.216 -8.114 4.873 125 HB2 GLN 19 HB2 GLN 19 14.128 -6.193 6.115 126 HB3 GLN 19 HB3 GLN 19 15.399 -7.213 5.460 127 HG2 GLN 19 HG2 GLN 19 15.710 -5.614 3.627 128 HG3 GLN 19 HG3 GLN 19 14.469 -4.582 4.336 129 HE21 GLN 19 HE21 GLN 19 15.330 -5.196 7.069 130 HE22 GLN 19 HE22 GLN 19 16.789 -4.300 7.315 131 H TYR 20 H TYR 20 11.255 -7.340 5.348 132 HA TYR 20 HA TYR 20 10.168 -5.456 3.357 133 HB2 TYR 20 HB2 TYR 20 9.462 -7.792 3.001 134 HB3 TYR 20 HB3 TYR 20 8.797 -7.836 4.628 135 HD1 TYR 20 HD1 TYR 20 8.396 -6.390 1.261 136 HD2 TYR 20 HD2 TYR 20 6.648 -6.882 5.108 137 HE1 TYR 20 HE1 TYR 20 6.256 -5.564 0.387 138 HE2 TYR 20 HE2 TYR 20 4.499 -6.055 4.241 139 HH TYR 20 HH TYR 20 3.824 -5.786 0.956 140 H ALA 21 H ALA 21 9.011 -3.794 4.007 141 HA ALA 21 HA ALA 21 7.712 -3.884 6.640 142 HB1 ALA 21 HB1 ALA 21 8.100 -1.471 6.895 143 HB2 ALA 21 HB2 ALA 21 9.030 -1.460 5.397 144 HB3 ALA 21 HB3 ALA 21 9.625 -2.353 6.795 145 H TRP 22 H TRP 22 5.645 -2.760 6.667 146 HA TRP 22 HA TRP 22 4.562 -2.548 3.952 147 HB2 TRP 22 HB2 TRP 22 2.314 -2.701 5.037 148 HB3 TRP 22 HB3 TRP 22 3.316 -4.127 5.251 149 HD1 TRP 22 HD1 TRP 22 4.490 -4.367 7.751 150 HE1 TRP 22 HE1 TRP 22 3.523 -3.739 10.044 151 HE3 TRP 22 HE3 TRP 22 0.833 -1.133 6.226 152 HZ2 TRP 22 HZ2 TRP 22 1.471 -2.093 11.076 153 HZ3 TRP 22 HZ3 TRP 22 -0.593 -0.078 7.931 154 HH2 TRP 22 HH2 TRP 22 -0.279 -0.550 10.306 155 H ALA 23 H ALA 23 3.932 -0.703 3.131 156 HA ALA 23 HA ALA 23 3.348 1.592 4.801 157 HB1 ALA 23 HB1 ALA 23 5.780 1.660 4.717 158 HB2 ALA 23 HB2 ALA 23 5.097 2.989 3.780 159 HB3 ALA 23 HB3 ALA 23 5.740 1.568 2.956 160 H TYR 24 H TYR 24 1.972 2.928 3.806 161 HA TYR 24 HA TYR 24 1.801 2.968 0.896 162 HB2 TYR 24 HB2 TYR 24 -0.628 2.398 2.621 163 HB3 TYR 24 HB3 TYR 24 -0.626 2.620 0.875 164 HD1 TYR 24 HD1 TYR 24 0.503 0.889 -0.569 165 HD2 TYR 24 HD2 TYR 24 -0.160 0.297 3.592 166 HE1 TYR 24 HE1 TYR 24 0.848 -1.530 -0.861 167 HE2 TYR 24 HE2 TYR 24 0.187 -2.122 3.312 168 HH TYR 24 HH TYR 24 1.541 -3.470 0.533 169 H ALA 25 H ALA 25 1.210 4.955 0.136 170 HA ALA 25 HA ALA 25 0.923 7.030 2.158 171 HB1 ALA 25 HB1 ALA 25 1.266 7.301 -0.827 172 HB2 ALA 25 HB2 ALA 25 2.571 7.324 0.359 173 HB3 ALA 25 HB3 ALA 25 1.354 8.600 0.364 174 H PHE 26 H PHE 26 -1.125 7.042 2.878 175 HA PHE 26 HA PHE 26 -3.306 7.216 0.953 176 HB2 PHE 26 HB2 PHE 26 -3.291 7.080 3.975 177 HB3 PHE 26 HB3 PHE 26 -4.752 7.280 3.013 178 HD1 PHE 26 HD2 PHE 26 -5.486 5.473 1.491 179 HD2 PHE 26 HD1 PHE 26 -2.245 4.957 4.203 180 HE1 PHE 26 HE2 PHE 26 -5.668 3.030 1.239 181 HE2 PHE 26 HE1 PHE 26 -2.418 2.517 3.951 182 HZ PHE 26 HZ PHE 26 -4.130 1.551 2.471 183 H VAL 27 H VAL 27 -3.370 9.144 0.026 184 HA VAL 27 HA VAL 27 -3.183 11.507 1.756 185 HB VAL 27 HB VAL 27 -1.071 11.405 0.687 186 HG11 VAL 27 HG11 VAL 27 -2.539 10.921 -1.898 187 HG12 VAL 27 HG12 VAL 27 -1.567 9.750 -1.005 188 HG13 VAL 27 HG13 VAL 27 -0.798 11.156 -1.741 189 HG21 VAL 27 HG21 VAL 27 -2.036 13.627 0.644 190 HG22 VAL 27 HG22 VAL 27 -2.818 13.279 -0.897 191 HG23 VAL 27 HG23 VAL 27 -1.058 13.357 -0.799 192 H LYS 28 H LYS 28 -4.812 12.883 1.548 193 HA LYS 28 HA LYS 28 -6.534 12.621 -0.811 194 HB2 LYS 28 HB2 LYS 28 -7.827 12.218 1.151 195 HB3 LYS 28 HB3 LYS 28 -7.139 13.614 1.975 196 HG2 LYS 28 HG2 LYS 28 -8.265 15.110 0.440 197 HG3 LYS 28 HG3 LYS 28 -8.897 13.738 -0.468 198 HD2 LYS 28 HD2 LYS 28 -9.508 14.233 2.441 199 HD3 LYS 28 HD3 LYS 28 -10.518 14.822 1.118 200 HE2 LYS 28 HE2 LYS 28 -10.525 12.351 0.349 201 HE3 LYS 28 HE3 LYS 28 -9.991 12.008 1.995 202 HZ1 LYS 28 HZ1 LYS 28 -12.379 11.862 1.857 203 HZ2 LYS 28 HZ2 LYS 28 -12.478 13.428 1.214 204 HZ3 LYS 28 HZ3 LYS 28 -11.959 13.203 2.811 205 H ASP 29 H ASP 29 -6.549 14.181 -2.239 206 HA ASP 29 HA ASP 29 -6.515 16.237 -3.200 207 HB2 ASP 29 HB2 ASP 29 -7.944 16.806 -1.192 208 HB3 ASP 29 HB3 ASP 29 -6.484 17.405 -0.411 209 H GLY 30 H GLY 30 -4.019 14.888 -1.837 210 HA2 GLY 30 HA2 GLY 30 -1.807 15.271 -2.547 211 HA3 GLY 30 HA3 GLY 30 -2.220 16.951 -2.850 212 H LYS 31 H LYS 31 -3.315 15.864 0.189 213 HA LYS 31 HA LYS 31 -0.822 16.759 1.465 214 HB2 LYS 31 HB2 LYS 31 -2.183 17.808 3.252 215 HB3 LYS 31 HB3 LYS 31 -2.395 18.561 1.680 216 HG2 LYS 31 HG2 LYS 31 -4.568 18.446 2.242 217 HG3 LYS 31 HG3 LYS 31 -4.419 16.806 1.609 218 HD2 LYS 31 HD2 LYS 31 -5.523 16.644 3.706 219 HD3 LYS 31 HD3 LYS 31 -3.876 16.062 3.947 220 HE2 LYS 31 HE2 LYS 31 -3.234 18.200 4.896 221 HE3 LYS 31 HE3 LYS 31 -4.846 18.840 4.588 222 HZ1 LYS 31 HZ1 LYS 31 -4.752 18.224 6.852 223 HZ2 LYS 31 HZ2 LYS 31 -4.086 16.712 6.500 224 HZ3 LYS 31 HZ3 LYS 31 -5.693 17.045 6.079 225 H VAL 32 H VAL 32 -0.138 15.644 3.219 226 HA VAL 32 HA VAL 32 -1.367 13.017 3.546 227 HB VAL 32 HB VAL 32 1.253 14.045 4.650 228 HG11 VAL 32 HG11 VAL 32 1.781 11.661 4.972 229 HG12 VAL 32 HG12 VAL 32 0.147 11.245 4.455 230 HG13 VAL 32 HG13 VAL 32 0.394 12.174 5.933 231 HG21 VAL 32 HG21 VAL 32 1.252 14.038 2.212 232 HG22 VAL 32 HG22 VAL 32 0.717 12.357 2.209 233 HG23 VAL 32 HG23 VAL 32 2.307 12.777 2.849 234 H HIS 33 H HIS 33 -2.609 12.511 5.241 235 HA HIS 33 HA HIS 33 -3.102 14.492 7.244 236 HB2 HIS 33 HB2 HIS 33 -4.723 12.793 8.177 237 HB3 HIS 33 HB3 HIS 33 -5.021 13.311 6.527 238 HD1 HIS 33 HD1 HIS 33 -5.732 11.438 5.098 239 HD2 HIS 33 HD2 HIS 33 -3.107 10.179 8.070 240 HE1 HIS 33 HE1 HIS 33 -5.448 8.961 4.756 241 HE2 HIS 33 HE2 HIS 33 -4.075 8.192 6.734 242 H TYR 34 H TYR 34 -1.467 11.358 7.239 243 HA TYR 34 HA TYR 34 -0.228 12.042 9.783 244 HB2 TYR 34 HB2 TYR 34 -1.863 9.544 9.319 245 HB3 TYR 34 HB3 TYR 34 -0.626 9.635 10.566 246 HD1 TYR 34 HD1 TYR 34 -3.909 10.908 9.496 247 HD2 TYR 34 HD2 TYR 34 -1.014 10.843 12.608 248 HE1 TYR 34 HE1 TYR 34 -5.557 11.871 11.041 249 HE2 TYR 34 HE2 TYR 34 -2.658 11.806 14.164 250 HH TYR 34 HH TYR 34 -6.022 12.155 13.286 251 H GLU 35 H GLU 35 1.769 11.014 10.105 252 HA GLU 35 HA GLU 35 2.874 9.818 7.657 253 HB2 GLU 35 HB2 GLU 35 5.082 10.620 8.534 254 HB3 GLU 35 HB3 GLU 35 3.948 11.907 8.143 255 HG2 GLU 35 HG2 GLU 35 3.452 12.263 10.455 256 HG3 GLU 35 HG3 GLU 35 4.382 10.840 10.923 257 H ASP 36 H ASP 36 3.285 7.684 7.768 258 HA ASP 36 HA ASP 36 4.986 6.638 9.742 259 HB2 ASP 36 HB2 ASP 36 2.579 6.744 10.871 260 HB3 ASP 36 HB3 ASP 36 2.372 5.224 9.997 261 H ALA 37 H ALA 37 4.933 4.155 9.668 262 HA ALA 37 HA ALA 37 4.270 2.636 7.459 263 HB1 ALA 37 HB1 ALA 37 5.549 4.249 6.106 264 HB2 ALA 37 HB2 ALA 37 6.333 2.670 6.124 265 HB3 ALA 37 HB3 ALA 37 6.967 3.978 7.120 266 H ASP 38 H ASP 38 4.403 0.769 8.720 267 HA ASP 38 HA ASP 38 6.681 0.656 10.594 268 HB2 ASP 38 HB2 ASP 38 4.343 0.966 11.565 269 HB3 ASP 38 HB3 ASP 38 4.026 -0.691 11.061 270 H VAL 39 H VAL 39 7.151 -1.598 11.395 271 HA VAL 39 HA VAL 39 7.386 -3.362 9.070 272 HB VAL 39 HB VAL 39 9.213 -4.435 10.368 273 HG11 VAL 39 HG11 VAL 39 9.714 -2.701 8.727 274 HG12 VAL 39 HG12 VAL 39 10.838 -2.632 10.085 275 HG13 VAL 39 HG13 VAL 39 9.522 -1.463 9.969 276 HG21 VAL 39 HG21 VAL 39 8.478 -3.886 12.618 277 HG22 VAL 39 HG22 VAL 39 8.737 -2.170 12.301 278 HG23 VAL 39 HG23 VAL 39 10.111 -3.278 12.341 279 H GLY 40 H GLY 40 7.796 -5.771 10.049 280 HA2 GLY 40 HA2 GLY 40 6.891 -7.601 11.118 281 HA3 GLY 40 HA3 GLY 40 6.165 -6.494 12.274 282 H LYS 41 H LYS 41 5.783 -6.948 8.783 283 HA LYS 41 HA LYS 41 2.985 -6.504 8.841 284 HB2 LYS 41 HB2 LYS 41 4.544 -6.170 6.877 285 HB3 LYS 41 HB3 LYS 41 4.562 -7.913 6.682 286 HG2 LYS 41 HG2 LYS 41 1.973 -6.421 6.677 287 HG3 LYS 41 HG3 LYS 41 2.977 -6.484 5.231 288 HD2 LYS 41 HD2 LYS 41 2.950 -8.991 5.445 289 HD3 LYS 41 HD3 LYS 41 1.752 -8.797 6.727 290 HE2 LYS 41 HE2 LYS 41 0.609 -9.269 4.674 291 HE3 LYS 41 HE3 LYS 41 0.301 -7.592 5.113 292 HZ1 LYS 41 HZ1 LYS 41 1.750 -6.822 3.463 293 HZ2 LYS 41 HZ2 LYS 41 0.874 -8.062 2.702 294 HZ3 LYS 41 HZ3 LYS 41 2.459 -8.345 3.234 295 H ASN 42 H ASN 42 1.957 -7.845 10.231 296 HA ASN 42 HA ASN 42 1.602 -10.616 9.375 297 HB2 ASN 42 HB2 ASN 42 2.315 -9.833 12.218 298 HB3 ASN 42 HB3 ASN 42 1.767 -11.429 11.726 299 HD21 ASN 42 HD21 ASN 42 4.397 -9.208 11.829 300 HD22 ASN 42 HD22 ASN 42 5.620 -10.304 11.274 301 HA PRO 43 HA PRO 43 -2.696 -9.806 9.970 302 HB2 PRO 43 HB2 PRO 43 -2.688 -12.321 11.585 303 HB3 PRO 43 HB3 PRO 43 -3.769 -11.829 10.277 304 HG2 PRO 43 HG2 PRO 43 -1.818 -13.590 9.839 305 HG3 PRO 43 HG3 PRO 43 -2.232 -12.363 8.626 306 HD2 PRO 43 HD2 PRO 43 0.110 -12.514 10.451 307 HD3 PRO 43 HD3 PRO 43 -0.015 -11.814 8.826 308 H ALA 44 H ALA 44 -1.164 -11.173 12.906 309 HA ALA 44 HA ALA 44 -2.984 -9.750 14.625 310 HB1 ALA 44 HB1 ALA 44 -1.731 -10.730 16.455 311 HB2 ALA 44 HB2 ALA 44 -0.474 -11.261 15.338 312 HB3 ALA 44 HB3 ALA 44 -2.093 -11.954 15.240 313 H ALA 45 H ALA 45 0.377 -9.394 13.617 314 HA ALA 45 HA ALA 45 1.072 -7.423 15.526 315 HB1 ALA 45 HB1 ALA 45 3.081 -7.092 14.207 316 HB2 ALA 45 HB2 ALA 45 2.369 -7.990 12.866 317 HB3 ALA 45 HB3 ALA 45 2.733 -8.813 14.383 318 H ALA 46 H ALA 46 -0.065 -7.207 12.177 319 HA ALA 46 HA ALA 46 0.262 -4.400 11.954 320 HB1 ALA 46 HB1 ALA 46 -1.084 -4.570 9.950 321 HB2 ALA 46 HB2 ALA 46 -1.616 -6.185 10.415 322 HB3 ALA 46 HB3 ALA 46 0.077 -5.897 10.011 323 H THR 47 H THR 47 -2.373 -6.447 13.048 324 HA THR 47 HA THR 47 -4.292 -4.360 13.267 325 HB THR 47 HB THR 47 -4.198 -7.028 14.693 326 HG1 THR 47 HG1 THR 47 -4.494 -7.705 12.696 327 HG21 THR 47 HG21 THR 47 -6.618 -6.762 14.927 328 HG22 THR 47 HG22 THR 47 -6.526 -5.179 14.157 329 HG23 THR 47 HG23 THR 47 -5.765 -5.438 15.725 330 H MET 48 H MET 48 -1.703 -5.528 15.269 331 HA MET 48 HA MET 48 -2.599 -4.042 17.597 332 HB2 MET 48 HB2 MET 48 -0.153 -5.731 17.080 333 HB3 MET 48 HB3 MET 48 -0.415 -4.850 18.579 334 HG2 MET 48 HG2 MET 48 -2.533 -6.109 18.879 335 HG3 MET 48 HG3 MET 48 -2.118 -7.061 17.455 336 HE1 MET 48 HE1 MET 48 1.178 -8.849 18.660 337 HE2 MET 48 HE2 MET 48 1.091 -7.286 17.849 338 HE3 MET 48 HE3 MET 48 0.057 -8.614 17.318 339 H ARG 49 H ARG 49 -1.932 -2.679 15.062 340 HA ARG 49 HA ARG 49 0.178 -0.885 16.071 341 HB2 ARG 49 HB2 ARG 49 -1.015 -1.074 13.294 342 HB3 ARG 49 HB3 ARG 49 0.269 0.020 13.782 343 HG2 ARG 49 HG2 ARG 49 0.490 -2.978 13.838 344 HG3 ARG 49 HG3 ARG 49 1.018 -1.961 12.496 345 HD2 ARG 49 HD2 ARG 49 2.981 -2.224 13.652 346 HD3 ARG 49 HD3 ARG 49 2.376 -0.725 14.351 347 HE ARG 49 HE ARG 49 1.433 -2.388 16.130 348 HH11 ARG 49 HH11 ARG 49 4.512 -2.524 14.473 349 HH12 ARG 49 HH12 ARG 49 5.313 -3.381 15.763 350 HH21 ARG 49 HH21 ARG 49 2.490 -3.484 17.850 351 HH22 ARG 49 HH22 ARG 49 4.171 -3.901 17.700 352 H ASN 50 H ASN 50 -0.397 1.123 16.742 353 HA ASN 50 HA ASN 50 -3.167 1.752 17.020 354 HB2 ASN 50 HB2 ASN 50 -1.515 2.461 18.683 355 HB3 ASN 50 HB3 ASN 50 -0.717 3.471 17.483 356 HD21 ASN 50 HD21 ASN 50 -3.541 3.080 19.485 357 HD22 ASN 50 HD22 ASN 50 -4.106 4.714 19.347 358 H VAL 51 H VAL 51 -0.725 2.518 14.694 359 HA VAL 51 HA VAL 51 -2.070 4.694 13.432 360 HB VAL 51 HB VAL 51 -0.018 2.829 12.225 361 HG11 VAL 51 HG11 VAL 51 -1.183 4.186 10.572 362 HG12 VAL 51 HG12 VAL 51 0.489 4.717 10.747 363 HG13 VAL 51 HG13 VAL 51 -0.813 5.645 11.492 364 HG21 VAL 51 HG21 VAL 51 0.397 5.403 13.739 365 HG22 VAL 51 HG22 VAL 51 1.652 4.486 12.907 366 HG23 VAL 51 HG23 VAL 51 0.826 3.786 14.300 367 H ALA 52 H ALA 52 -2.290 1.252 13.268 368 HA ALA 52 HA ALA 52 -3.192 0.930 10.624 369 HB1 ALA 52 HB1 ALA 52 -3.802 -1.315 11.279 370 HB2 ALA 52 HB2 ALA 52 -3.651 -0.879 12.982 371 HB3 ALA 52 HB3 ALA 52 -2.227 -0.881 11.941 372 H GLY 53 H GLY 53 -4.838 2.154 13.345 373 HA2 GLY 53 HA2 GLY 53 -7.434 1.246 13.066 374 HA3 GLY 53 HA3 GLY 53 -7.008 2.859 13.615 375 H GLU 54 H GLU 54 -5.974 4.053 11.406 376 HA GLU 54 HA GLU 54 -8.298 4.546 9.831 377 HB2 GLU 54 HB2 GLU 54 -6.890 6.094 8.559 378 HB3 GLU 54 HB3 GLU 54 -6.692 6.331 10.289 379 HG2 GLU 54 HG2 GLU 54 -4.578 5.235 10.275 380 HG3 GLU 54 HG3 GLU 54 -4.799 4.711 8.606 381 H ILE 55 H ILE 55 -5.434 2.601 9.450 382 HA ILE 55 HA ILE 55 -5.528 2.158 6.677 383 HB ILE 55 HB ILE 55 -4.519 0.269 8.813 384 HG12 ILE 55 HG12 ILE 55 -3.464 2.463 9.020 385 HG13 ILE 55 HG13 ILE 55 -2.310 1.289 8.400 386 HG21 ILE 55 HG21 ILE 55 -3.090 -0.641 7.050 387 HG22 ILE 55 HG22 ILE 55 -3.834 0.449 5.881 388 HG23 ILE 55 HG23 ILE 55 -4.799 -0.814 6.647 389 HD11 ILE 55 HD11 ILE 55 -3.789 3.340 6.774 390 HD12 ILE 55 HD12 ILE 55 -2.637 2.163 6.144 391 HD13 ILE 55 HD13 ILE 55 -2.097 3.416 7.263 392 H ALA 56 H ALA 56 -6.926 0.373 9.401 393 HA ALA 56 HA ALA 56 -8.187 -1.637 7.870 394 HB1 ALA 56 HB1 ALA 56 -7.824 -1.877 10.261 395 HB2 ALA 56 HB2 ALA 56 -9.537 -2.046 9.879 396 HB3 ALA 56 HB3 ALA 56 -8.933 -0.545 10.581 397 H ALA 57 H ALA 57 -9.248 1.544 8.979 398 HA ALA 57 HA ALA 57 -11.923 1.369 8.113 399 HB1 ALA 57 HB1 ALA 57 -11.132 3.092 9.666 400 HB2 ALA 57 HB2 ALA 57 -11.950 3.802 8.273 401 HB3 ALA 57 HB3 ALA 57 -10.188 3.825 8.368 402 H ALA 58 H ALA 58 -8.961 2.404 6.506 403 HA ALA 58 HA ALA 58 -10.127 3.279 4.096 404 HB1 ALA 58 HB1 ALA 58 -7.831 3.827 4.727 405 HB2 ALA 58 HB2 ALA 58 -7.891 3.056 3.142 406 HB3 ALA 58 HB3 ALA 58 -7.375 2.132 4.553 407 H LEU 59 H LEU 59 -9.129 0.118 5.246 408 HA LEU 59 HA LEU 59 -9.315 -1.321 2.855 409 HB2 LEU 59 HB2 LEU 59 -8.376 -2.134 5.039 410 HB3 LEU 59 HB3 LEU 59 -10.015 -2.299 5.629 411 HG LEU 59 HG LEU 59 -9.130 -3.785 3.171 412 HD11 LEU 59 HD11 LEU 59 -8.763 -4.640 6.042 413 HD12 LEU 59 HD12 LEU 59 -7.484 -4.313 4.873 414 HD13 LEU 59 HD13 LEU 59 -8.565 -5.684 4.634 415 HD21 LEU 59 HD21 LEU 59 -10.859 -5.360 3.891 416 HD22 LEU 59 HD22 LEU 59 -11.520 -3.738 3.687 417 HD23 LEU 59 HD23 LEU 59 -11.189 -4.356 5.304 418 H TYR 60 H TYR 60 -11.765 -0.531 5.298 419 HA TYR 60 HA TYR 60 -13.896 -1.922 4.061 420 HB2 TYR 60 HB2 TYR 60 -14.137 0.534 5.810 421 HB3 TYR 60 HB3 TYR 60 -15.361 -0.698 5.532 422 HD1 TYR 60 HD1 TYR 60 -14.014 -3.207 5.960 423 HD2 TYR 60 HD2 TYR 60 -13.503 0.481 8.018 424 HE1 TYR 60 HE1 TYR 60 -13.223 -4.427 7.944 425 HE2 TYR 60 HE2 TYR 60 -12.712 -0.728 10.005 426 HH TYR 60 HH TYR 60 -11.865 -4.026 9.930 427 H ALA 61 H ALA 61 -12.686 1.372 3.800 428 HA ALA 61 HA ALA 61 -14.739 2.449 2.220 429 HB1 ALA 61 HB1 ALA 61 -13.143 4.194 1.629 430 HB2 ALA 61 HB2 ALA 61 -11.820 3.215 2.263 431 HB3 ALA 61 HB3 ALA 61 -13.065 3.830 3.351 432 H VAL 62 H VAL 62 -11.657 0.926 1.281 433 HA VAL 62 HA VAL 62 -12.035 1.199 -1.506 434 HB VAL 62 HB VAL 62 -10.411 -0.865 0.001 435 HG11 VAL 62 HG11 VAL 62 -10.224 -0.021 -2.891 436 HG12 VAL 62 HG12 VAL 62 -10.863 -1.558 -2.309 437 HG13 VAL 62 HG13 VAL 62 -9.161 -1.162 -2.069 438 HG21 VAL 62 HG21 VAL 62 -8.509 0.611 -0.470 439 HG22 VAL 62 HG22 VAL 62 -9.730 1.412 0.521 440 HG23 VAL 62 HG23 VAL 62 -9.606 1.782 -1.198 441 H LYS 63 H LYS 63 -12.971 -1.275 0.811 442 HA LYS 63 HA LYS 63 -13.855 -3.204 -1.044 443 HB2 LYS 63 HB2 LYS 63 -13.416 -3.492 1.459 444 HB3 LYS 63 HB3 LYS 63 -15.015 -2.799 1.707 445 HG2 LYS 63 HG2 LYS 63 -15.978 -4.595 0.334 446 HG3 LYS 63 HG3 LYS 63 -14.373 -5.309 0.178 447 HD2 LYS 63 HD2 LYS 63 -14.293 -5.476 2.668 448 HD3 LYS 63 HD3 LYS 63 -15.975 -4.943 2.705 449 HE2 LYS 63 HE2 LYS 63 -14.901 -7.421 1.365 450 HE3 LYS 63 HE3 LYS 63 -15.870 -7.362 2.837 451 HZ1 LYS 63 HZ1 LYS 63 -17.135 -7.930 0.795 452 HZ2 LYS 63 HZ2 LYS 63 -16.816 -6.377 0.196 453 HZ3 LYS 63 HZ3 LYS 63 -17.733 -6.568 1.609 454 H LYS 64 H LYS 64 -15.463 -0.491 0.546 455 HA LYS 64 HA LYS 64 -18.034 -0.984 -0.581 456 HB2 LYS 64 HB2 LYS 64 -16.798 1.525 0.556 457 HB3 LYS 64 HB3 LYS 64 -18.469 1.422 0.023 458 HG2 LYS 64 HG2 LYS 64 -17.206 -0.171 2.243 459 HG3 LYS 64 HG3 LYS 64 -18.324 1.183 2.424 460 HD2 LYS 64 HD2 LYS 64 -20.015 -0.148 1.145 461 HD3 LYS 64 HD3 LYS 64 -18.904 -1.518 1.208 462 HE2 LYS 64 HE2 LYS 64 -20.460 -1.795 2.982 463 HE3 LYS 64 HE3 LYS 64 -18.935 -1.296 3.711 464 HZ1 LYS 64 HZ1 LYS 64 -21.294 0.437 3.182 465 HZ2 LYS 64 HZ2 LYS 64 -19.811 0.992 3.788 466 HZ3 LYS 64 HZ3 LYS 64 -20.746 -0.088 4.700 467 H ALA 65 H ALA 65 -15.239 0.924 -1.568 468 HA ALA 65 HA ALA 65 -16.352 2.347 -3.683 469 HB1 ALA 65 HB1 ALA 65 -13.555 1.240 -3.467 470 HB2 ALA 65 HB2 ALA 65 -14.116 2.780 -2.812 471 HB3 ALA 65 HB3 ALA 65 -14.078 2.525 -4.558 472 H SER 66 H SER 66 -15.302 -0.975 -3.485 473 HA SER 66 HA SER 66 -15.240 -1.636 -6.202 474 HB2 SER 66 HB2 SER 66 -14.392 -3.078 -4.354 475 HB3 SER 66 HB3 SER 66 -16.058 -3.417 -3.890 476 HG SER 66 HG SER 66 -14.551 -4.493 -5.891 477 H GLN 67 H GLN 67 -17.936 -1.351 -3.948 478 HA GLN 67 HA GLN 67 -19.857 -2.498 -5.729 479 HB2 GLN 67 HB2 GLN 67 -20.137 -0.880 -3.197 480 HB3 GLN 67 HB3 GLN 67 -21.489 -1.556 -4.077 481 HG2 GLN 67 HG2 GLN 67 -20.475 -3.812 -3.763 482 HG3 GLN 67 HG3 GLN 67 -19.280 -3.055 -2.708 483 HE21 GLN 67 HE21 GLN 67 -22.607 -3.984 -3.086 484 HE22 GLN 67 HE22 GLN 67 -23.067 -3.751 -1.434 485 H LEU 68 H LEU 68 -18.806 0.755 -4.867 486 HA LEU 68 HA LEU 68 -20.834 2.082 -6.379 487 HB2 LEU 68 HB2 LEU 68 -18.286 2.973 -5.068 488 HB3 LEU 68 HB3 LEU 68 -19.145 4.054 -6.146 489 HG LEU 68 HG LEU 68 -21.162 3.816 -4.685 490 HD11 LEU 68 HD11 LEU 68 -20.635 1.689 -3.639 491 HD12 LEU 68 HD12 LEU 68 -20.869 2.947 -2.424 492 HD13 LEU 68 HD13 LEU 68 -19.240 2.413 -2.836 493 HD21 LEU 68 HD21 LEU 68 -18.668 4.867 -3.359 494 HD22 LEU 68 HD22 LEU 68 -20.327 5.295 -2.939 495 HD23 LEU 68 HD23 LEU 68 -19.676 5.736 -4.517 496 H GLY 69 H GLY 69 -17.981 0.478 -7.224 497 HA2 GLY 69 HA2 GLY 69 -17.281 -0.029 -9.381 498 HA3 GLY 69 HA3 GLY 69 -18.404 1.174 -9.999 499 H VAL 70 H VAL 70 -16.140 1.936 -7.485 500 HA VAL 70 HA VAL 70 -14.488 3.409 -9.427 501 HB VAL 70 HB VAL 70 -14.181 5.194 -7.724 502 HG11 VAL 70 HG11 VAL 70 -15.781 5.529 -9.510 503 HG12 VAL 70 HG12 VAL 70 -16.385 6.250 -8.017 504 HG13 VAL 70 HG13 VAL 70 -17.031 4.708 -8.580 505 HG21 VAL 70 HG21 VAL 70 -14.705 3.939 -5.718 506 HG22 VAL 70 HG22 VAL 70 -16.372 3.732 -6.251 507 HG23 VAL 70 HG23 VAL 70 -15.770 5.341 -5.847 508 H LYS 71 H LYS 71 -12.362 4.118 -8.277 509 HA LYS 71 HA LYS 71 -11.449 2.290 -6.229 510 HB2 LYS 71 HB2 LYS 71 -9.612 1.364 -7.508 511 HB3 LYS 71 HB3 LYS 71 -11.126 0.994 -8.319 512 HG2 LYS 71 HG2 LYS 71 -9.826 3.464 -9.227 513 HG3 LYS 71 HG3 LYS 71 -8.915 1.985 -9.535 514 HD2 LYS 71 HD2 LYS 71 -11.795 2.443 -10.318 515 HD3 LYS 71 HD3 LYS 71 -10.414 2.614 -11.405 516 HE2 LYS 71 HE2 LYS 71 -9.843 0.243 -10.977 517 HE3 LYS 71 HE3 LYS 71 -11.298 0.097 -9.993 518 HZ1 LYS 71 HZ1 LYS 71 -11.735 -0.726 -12.184 519 HZ2 LYS 71 HZ2 LYS 71 -11.173 0.706 -12.900 520 HZ3 LYS 71 HZ3 LYS 71 -12.598 0.721 -11.977 521 H ILE 72 H ILE 72 -8.846 2.665 -6.193 522 HA ILE 72 HA ILE 72 -8.455 5.578 -6.231 523 HB ILE 72 HB ILE 72 -6.538 5.121 -4.665 524 HG12 ILE 72 HG12 ILE 72 -6.910 2.894 -3.344 525 HG13 ILE 72 HG13 ILE 72 -7.684 2.344 -4.824 526 HG21 ILE 72 HG21 ILE 72 -8.684 5.961 -3.880 527 HG22 ILE 72 HG22 ILE 72 -7.960 4.873 -2.695 528 HG23 ILE 72 HG23 ILE 72 -9.281 4.308 -3.717 529 HD11 ILE 72 HD11 ILE 72 -4.839 3.284 -4.545 530 HD12 ILE 72 HD12 ILE 72 -5.609 2.789 -6.053 531 HD13 ILE 72 HD13 ILE 72 -5.386 1.620 -4.752 532 H ARG 73 H ARG 73 -6.203 6.280 -6.826 533 HA ARG 73 HA ARG 73 -5.462 4.915 -9.243 534 HB2 ARG 73 HB2 ARG 73 -5.415 7.431 -8.937 535 HB3 ARG 73 HB3 ARG 73 -3.969 7.200 -7.961 536 HG2 ARG 73 HG2 ARG 73 -3.392 7.797 -10.242 537 HG3 ARG 73 HG3 ARG 73 -2.844 6.160 -9.865 538 HD2 ARG 73 HD2 ARG 73 -4.896 5.284 -10.966 539 HD3 ARG 73 HD3 ARG 73 -5.302 6.935 -11.435 540 HE ARG 73 HE ARG 73 -2.742 6.478 -12.360 541 HH11 ARG 73 HH11 ARG 73 -5.945 5.187 -12.910 542 HH12 ARG 73 HH12 ARG 73 -5.601 4.644 -14.523 543 HH21 ARG 73 HH21 ARG 73 -2.274 5.802 -14.481 544 HH22 ARG 73 HH22 ARG 73 -3.491 4.981 -15.419 545 H ILE 74 H ILE 74 -4.194 3.223 -9.304 546 HA ILE 74 HA ILE 74 -2.682 2.404 -7.019 547 HB ILE 74 HB ILE 74 -2.105 0.425 -8.362 548 HG12 ILE 74 HG12 ILE 74 -3.691 0.451 -10.586 549 HG13 ILE 74 HG13 ILE 74 -3.118 2.112 -10.563 550 HG21 ILE 74 HG21 ILE 74 -4.409 -0.427 -8.623 551 HG22 ILE 74 HG22 ILE 74 -5.010 1.219 -8.417 552 HG23 ILE 74 HG23 ILE 74 -4.152 0.422 -7.098 553 HD11 ILE 74 HD11 ILE 74 -1.394 -0.351 -10.583 554 HD12 ILE 74 HD12 ILE 74 -0.806 1.311 -10.548 555 HD13 ILE 74 HD13 ILE 74 -1.701 0.720 -11.950 556 H LEU 75 H LEU 75 -0.594 2.686 -6.604 557 HA LEU 75 HA LEU 75 1.569 3.412 -6.777 558 HB2 LEU 75 HB2 LEU 75 1.329 1.406 -8.472 559 HB3 LEU 75 HB3 LEU 75 1.535 2.659 -9.680 560 HG LEU 75 HG LEU 75 3.689 3.271 -8.440 561 HD11 LEU 75 HD11 LEU 75 4.707 1.472 -7.143 562 HD12 LEU 75 HD12 LEU 75 3.225 0.527 -7.281 563 HD13 LEU 75 HD13 LEU 75 3.221 2.047 -6.387 564 HD21 LEU 75 HD21 LEU 75 4.950 1.513 -9.596 565 HD22 LEU 75 HD22 LEU 75 3.674 2.183 -10.610 566 HD23 LEU 75 HD23 LEU 75 3.456 0.610 -9.842 567 H HIS 76 H HIS 76 2.944 4.525 -9.044 568 HA HIS 76 HA HIS 76 1.515 7.022 -9.484 569 HB2 HIS 76 HB2 HIS 76 4.023 6.960 -9.155 570 HB3 HIS 76 HB3 HIS 76 4.147 6.131 -10.703 571 HD1 HIS 76 HD1 HIS 76 3.671 7.545 -12.863 572 HD2 HIS 76 HD2 HIS 76 3.509 9.699 -9.295 573 HE1 HIS 76 HE1 HIS 76 3.706 9.972 -13.521 574 HE2 HIS 76 HE2 HIS 76 3.788 11.248 -11.351 575 H ASP 77 H ASP 77 3.138 4.677 -11.571 576 HA ASP 77 HA ASP 77 0.925 3.747 -12.951 577 HB2 ASP 77 HB2 ASP 77 0.903 4.882 -15.025 578 HB3 ASP 77 HB3 ASP 77 0.952 6.164 -13.822 579 H TYR 78 H TYR 78 1.550 1.967 -14.152 580 HA TYR 78 HA TYR 78 4.229 1.609 -15.087 581 HB2 TYR 78 HB2 TYR 78 3.924 1.196 -12.370 582 HB3 TYR 78 HB3 TYR 78 3.753 -0.425 -13.032 583 HD1 TYR 78 HD2 TYR 78 6.010 2.498 -12.837 584 HD2 TYR 78 HD1 TYR 78 5.643 -1.625 -13.817 585 HE1 TYR 78 HE2 TYR 78 8.456 2.323 -12.990 586 HE2 TYR 78 HE1 TYR 78 8.092 -1.812 -13.968 587 HH TYR 78 HH TYR 78 10.038 -0.204 -14.435 588 H ALA 79 H ALA 79 4.403 -0.158 -16.435 589 HA ALA 79 HA ALA 79 1.923 -1.619 -16.969 590 HB1 ALA 79 HB1 ALA 79 3.008 -2.351 -19.017 591 HB2 ALA 79 HB2 ALA 79 4.525 -1.614 -18.502 592 HB3 ALA 79 HB3 ALA 79 3.127 -0.598 -18.856 593 H GLY 80 H GLY 80 5.123 -2.069 -15.705 594 HA2 GLY 80 HA2 GLY 80 5.216 -4.907 -15.904 595 HA3 GLY 80 HA3 GLY 80 6.258 -3.903 -14.913 596 H ILE 81 H ILE 81 3.259 -3.033 -13.976 597 HA ILE 81 HA ILE 81 3.453 -4.398 -11.508 598 HB ILE 81 HB ILE 81 1.156 -3.481 -11.052 599 HG12 ILE 81 HG12 ILE 81 0.618 -1.537 -12.739 600 HG13 ILE 81 HG13 ILE 81 1.499 -2.544 -13.882 601 HG21 ILE 81 HG21 ILE 81 3.319 -1.582 -11.930 602 HG22 ILE 81 HG22 ILE 81 3.124 -2.311 -10.336 603 HG23 ILE 81 HG23 ILE 81 1.938 -1.146 -10.923 604 HD11 ILE 81 HD11 ILE 81 -0.957 -3.350 -12.334 605 HD12 ILE 81 HD12 ILE 81 -0.068 -4.373 -13.464 606 HD13 ILE 81 HD13 ILE 81 -0.883 -2.921 -14.044 607 H ALA 82 H ALA 82 2.079 -5.303 -14.498 608 HA ALA 82 HA ALA 82 0.006 -6.999 -13.478 609 HB1 ALA 82 HB1 ALA 82 -0.247 -7.732 -15.787 610 HB2 ALA 82 HB2 ALA 82 1.250 -6.907 -16.222 611 HB3 ALA 82 HB3 ALA 82 -0.148 -5.973 -15.690 612 H PHE 83 H PHE 83 3.059 -7.360 -12.882 613 HA PHE 83 HA PHE 83 3.959 -9.759 -13.964 614 HB2 PHE 83 HB2 PHE 83 5.353 -8.153 -12.684 615 HB3 PHE 83 HB3 PHE 83 4.554 -8.675 -11.205 616 HD1 PHE 83 HD1 PHE 83 6.670 -9.870 -14.006 617 HD2 PHE 83 HD2 PHE 83 5.325 -10.533 -10.020 618 HE1 PHE 83 HE1 PHE 83 8.342 -11.649 -13.743 619 HE2 PHE 83 HE2 PHE 83 6.996 -12.324 -9.755 620 HZ PHE 83 HZ PHE 83 8.508 -12.880 -11.617 621 H TRP 84 H TRP 84 1.860 -9.202 -11.170 622 HA TRP 84 HA TRP 84 1.965 -11.850 -10.183 623 HB2 TRP 84 HB2 TRP 84 -0.341 -11.136 -9.141 624 HB3 TRP 84 HB3 TRP 84 1.163 -10.434 -8.564 625 HD1 TRP 84 HD1 TRP 84 1.299 -7.892 -8.531 626 HE1 TRP 84 HE1 TRP 84 -0.125 -5.960 -9.449 627 HE3 TRP 84 HE3 TRP 84 -2.030 -10.581 -11.322 628 HZ2 TRP 84 HZ2 TRP 84 -2.355 -5.615 -11.140 629 HZ3 TRP 84 HZ3 TRP 84 -3.774 -9.377 -12.560 630 HH2 TRP 84 HH2 TRP 84 -3.935 -6.945 -12.470 631 H ALA 85 H ALA 85 0.282 -10.473 -12.847 632 HA ALA 85 HA ALA 85 -1.753 -12.516 -12.951 633 HB1 ALA 85 HB1 ALA 85 -2.434 -11.465 -15.035 634 HB2 ALA 85 HB2 ALA 85 -0.970 -10.482 -15.039 635 HB3 ALA 85 HB3 ALA 85 -2.188 -10.243 -13.787 636 H THR 86 H THR 86 1.431 -11.988 -14.197 637 HA THR 86 HA THR 86 1.232 -14.252 -16.015 638 HB THR 86 HB THR 86 3.648 -13.717 -16.499 639 HG1 THR 86 HG1 THR 86 3.529 -12.350 -14.302 640 HG21 THR 86 HG21 THR 86 1.702 -11.436 -16.854 641 HG22 THR 86 HG22 THR 86 1.803 -12.861 -17.888 642 HG23 THR 86 HG23 THR 86 3.152 -11.727 -17.815 643 H GLY 87 H GLY 87 1.699 -13.787 -12.792 644 HA2 GLY 87 HA2 GLY 87 1.942 -15.926 -11.566 645 HA3 GLY 87 HA3 GLY 87 3.349 -16.219 -12.577 646 H GLU 88 H GLU 88 2.101 -14.543 -9.804 647 HA GLU 88 HA GLU 88 4.488 -13.119 -9.177 648 HB2 GLU 88 HB2 GLU 88 3.502 -13.009 -6.869 649 HB3 GLU 88 HB3 GLU 88 2.453 -12.401 -8.140 650 HG2 GLU 88 HG2 GLU 88 1.091 -14.336 -8.068 651 HG3 GLU 88 HG3 GLU 88 2.242 -15.186 -7.039 652 H TRP 89 H TRP 89 3.556 -16.348 -9.063 653 HA TRP 89 HA TRP 89 6.097 -17.099 -7.829 654 HB2 TRP 89 HB2 TRP 89 4.152 -17.292 -6.173 655 HB3 TRP 89 HB3 TRP 89 3.507 -18.550 -7.222 656 HD1 TRP 89 HD1 TRP 89 4.489 -20.950 -6.950 657 HE1 TRP 89 HE1 TRP 89 6.273 -21.994 -5.410 658 HE3 TRP 89 HE3 TRP 89 6.489 -16.660 -5.002 659 HZ2 TRP 89 HZ2 TRP 89 8.264 -21.108 -3.615 660 HZ3 TRP 89 HZ3 TRP 89 8.330 -16.847 -3.379 661 HH2 TRP 89 HH2 TRP 89 9.199 -19.028 -2.700 662 H LYS 90 H LYS 90 6.722 -19.333 -8.531 663 HA LYS 90 HA LYS 90 6.334 -19.625 -11.305 664 HB2 LYS 90 HB2 LYS 90 8.361 -20.432 -10.169 665 HB3 LYS 90 HB3 LYS 90 7.409 -21.659 -9.339 666 HG2 LYS 90 HG2 LYS 90 6.864 -22.700 -11.467 667 HG3 LYS 90 HG3 LYS 90 7.773 -21.452 -12.319 668 HD2 LYS 90 HD2 LYS 90 8.944 -23.373 -10.308 669 HD3 LYS 90 HD3 LYS 90 9.031 -23.567 -12.060 670 HE2 LYS 90 HE2 LYS 90 10.180 -21.341 -12.154 671 HE3 LYS 90 HE3 LYS 90 10.243 -21.368 -10.392 672 HZ1 LYS 90 HZ1 LYS 90 12.302 -22.168 -11.300 673 HZ2 LYS 90 HZ2 LYS 90 11.504 -23.332 -12.232 674 HZ3 LYS 90 HZ3 LYS 90 11.506 -23.457 -10.543 675 H ALA 91 H ALA 91 4.544 -20.227 -12.254 676 HA ALA 91 HA ALA 91 2.652 -21.986 -10.913 677 HB1 ALA 91 HB1 ALA 91 2.407 -20.488 -13.516 678 HB2 ALA 91 HB2 ALA 91 1.815 -19.940 -11.948 679 HB3 ALA 91 HB3 ALA 91 1.118 -21.374 -12.702 680 H LYS 92 H LYS 92 3.443 -24.049 -11.061 681 HA LYS 92 HA LYS 92 4.237 -25.090 -13.675 682 HB2 LYS 92 HB2 LYS 92 3.950 -26.738 -11.173 683 HB3 LYS 92 HB3 LYS 92 4.992 -27.022 -12.557 684 HG2 LYS 92 HG2 LYS 92 6.318 -25.026 -11.880 685 HG3 LYS 92 HG3 LYS 92 5.336 -24.945 -10.415 686 HD2 LYS 92 HD2 LYS 92 6.012 -27.397 -10.064 687 HD3 LYS 92 HD3 LYS 92 7.262 -27.081 -11.269 688 HE2 LYS 92 HE2 LYS 92 8.252 -26.731 -9.141 689 HE3 LYS 92 HE3 LYS 92 7.992 -25.140 -9.855 690 HZ1 LYS 92 HZ1 LYS 92 5.924 -24.989 -8.525 691 HZ2 LYS 92 HZ2 LYS 92 7.318 -25.091 -7.572 692 HZ3 LYS 92 HZ3 LYS 92 6.325 -26.453 -7.773 693 H ASN 93 H ASN 93 1.633 -25.024 -11.451 694 HA ASN 93 HA ASN 93 0.159 -27.148 -12.795 695 HB2 ASN 93 HB2 ASN 93 0.185 -27.072 -10.337 696 HB3 ASN 93 HB3 ASN 93 -0.520 -25.462 -10.375 697 HD21 ASN 93 HD21 ASN 93 -2.253 -26.131 -9.155 698 HD22 ASN 93 HD22 ASN 93 -3.512 -27.142 -9.780 699 H GLU 94 H GLU 94 -1.762 -26.818 -13.883 700 HA GLU 94 HA GLU 94 -1.961 -24.459 -15.390 701 HB2 GLU 94 HB2 GLU 94 -4.061 -26.594 -14.963 702 HB3 GLU 94 HB3 GLU 94 -4.036 -25.421 -16.272 703 HG2 GLU 94 HG2 GLU 94 -2.037 -27.620 -15.791 704 HG3 GLU 94 HG3 GLU 94 -3.262 -27.563 -17.056 705 H PHE 95 H PHE 95 -3.635 -25.556 -12.504 706 HA PHE 95 HA PHE 95 -5.637 -23.581 -12.455 707 HB2 PHE 95 HB2 PHE 95 -4.387 -25.180 -10.219 708 HB3 PHE 95 HB3 PHE 95 -5.780 -24.126 -10.006 709 HD1 PHE 95 HD2 PHE 95 -7.939 -24.711 -10.927 710 HD2 PHE 95 HD1 PHE 95 -4.581 -27.285 -11.392 711 HE1 PHE 95 HE2 PHE 95 -9.439 -26.547 -11.590 712 HE2 PHE 95 HE1 PHE 95 -6.074 -29.121 -12.057 713 HZ PHE 95 HZ PHE 95 -8.505 -28.755 -12.157 714 H THR 96 H THR 96 -2.338 -23.631 -11.207 715 HA THR 96 HA THR 96 -2.467 -21.303 -9.636 716 HB THR 96 HB THR 96 -0.022 -22.248 -11.141 717 HG1 THR 96 HG1 THR 96 -1.051 -23.218 -8.650 718 HG21 THR 96 HG21 THR 96 0.236 -20.149 -9.917 719 HG22 THR 96 HG22 THR 96 1.154 -21.437 -9.135 720 HG23 THR 96 HG23 THR 96 -0.386 -20.909 -8.454 721 H GLN 97 H GLN 97 -1.617 -21.782 -13.055 722 HA GLN 97 HA GLN 97 -1.053 -19.143 -13.729 723 HB2 GLN 97 HB2 GLN 97 -2.167 -21.469 -15.270 724 HB3 GLN 97 HB3 GLN 97 -1.909 -19.913 -16.024 725 HG2 GLN 97 HG2 GLN 97 0.467 -20.031 -15.443 726 HG3 GLN 97 HG3 GLN 97 0.188 -21.609 -14.707 727 HE21 GLN 97 HE21 GLN 97 -0.120 -23.390 -16.005 728 HE22 GLN 97 HE22 GLN 97 0.176 -23.373 -17.709 729 H ALA 98 H ALA 98 -4.126 -20.893 -13.617 730 HA ALA 98 HA ALA 98 -5.746 -18.802 -14.615 731 HB1 ALA 98 HB1 ALA 98 -6.474 -21.142 -14.549 732 HB2 ALA 98 HB2 ALA 98 -7.624 -20.079 -13.738 733 HB3 ALA 98 HB3 ALA 98 -6.522 -21.075 -12.787 734 H TYR 99 H TYR 99 -4.821 -19.747 -11.328 735 HA TYR 99 HA TYR 99 -6.349 -17.931 -9.883 736 HB2 TYR 99 HB2 TYR 99 -3.710 -19.268 -9.408 737 HB3 TYR 99 HB3 TYR 99 -4.278 -18.054 -8.280 738 HD1 TYR 99 HD2 TYR 99 -6.917 -18.465 -7.650 739 HD2 TYR 99 HD1 TYR 99 -4.103 -21.438 -8.799 740 HE1 TYR 99 HE2 TYR 99 -8.259 -20.172 -6.501 741 HE2 TYR 99 HE1 TYR 99 -5.438 -23.156 -7.653 742 HH TYR 99 HH TYR 99 -7.096 -23.314 -5.866 743 H ALA 100 H ALA 100 -3.184 -17.531 -11.396 744 HA ALA 100 HA ALA 100 -2.668 -14.923 -10.445 745 HB1 ALA 100 HB1 ALA 100 -0.932 -16.394 -11.332 746 HB2 ALA 100 HB2 ALA 100 -0.954 -14.843 -12.172 747 HB3 ALA 100 HB3 ALA 100 -1.648 -16.272 -12.938 748 H LYS 101 H LYS 101 -4.141 -16.094 -13.456 749 HA LYS 101 HA LYS 101 -4.465 -13.521 -14.619 750 HB2 LYS 101 HB2 LYS 101 -5.210 -16.278 -15.252 751 HB3 LYS 101 HB3 LYS 101 -6.405 -15.101 -15.778 752 HG2 LYS 101 HG2 LYS 101 -3.477 -14.980 -16.466 753 HG3 LYS 101 HG3 LYS 101 -4.730 -15.664 -17.505 754 HD2 LYS 101 HD2 LYS 101 -5.892 -13.437 -17.392 755 HD3 LYS 101 HD3 LYS 101 -4.456 -12.806 -16.584 756 HE2 LYS 101 HE2 LYS 101 -4.488 -14.085 -19.316 757 HE3 LYS 101 HE3 LYS 101 -4.488 -12.348 -19.013 758 HZ1 LYS 101 HZ1 LYS 101 -2.275 -13.180 -19.507 759 HZ2 LYS 101 HZ2 LYS 101 -2.347 -14.240 -18.186 760 HZ3 LYS 101 HZ3 LYS 101 -2.349 -12.561 -17.932 761 H LEU 102 H LEU 102 -6.496 -15.559 -12.608 762 HA LEU 102 HA LEU 102 -8.934 -14.218 -12.897 763 HB2 LEU 102 HB2 LEU 102 -8.275 -16.465 -11.716 764 HB3 LEU 102 HB3 LEU 102 -8.102 -15.456 -10.297 765 HG LEU 102 HG LEU 102 -10.658 -15.573 -11.895 766 HD11 LEU 102 HD11 LEU 102 -10.080 -17.822 -11.103 767 HD12 LEU 102 HD12 LEU 102 -11.488 -17.167 -10.266 768 HD13 LEU 102 HD13 LEU 102 -9.918 -17.194 -9.463 769 HD21 LEU 102 HD21 LEU 102 -10.041 -14.692 -9.076 770 HD22 LEU 102 HD22 LEU 102 -11.649 -14.768 -9.794 771 HD23 LEU 102 HD23 LEU 102 -10.450 -13.644 -10.434 772 H MET 103 H MET 103 -6.126 -13.520 -10.937 773 HA MET 103 HA MET 103 -7.193 -11.801 -9.036 774 HB2 MET 103 HB2 MET 103 -4.508 -11.605 -10.412 775 HB3 MET 103 HB3 MET 103 -4.955 -10.740 -8.950 776 HG2 MET 103 HG2 MET 103 -5.267 -12.907 -7.814 777 HG3 MET 103 HG3 MET 103 -4.695 -13.716 -9.274 778 HE1 MET 103 HE1 MET 103 -3.321 -14.338 -6.552 779 HE2 MET 103 HE2 MET 103 -1.617 -14.230 -6.999 780 HE3 MET 103 HE3 MET 103 -2.774 -14.978 -8.101 781 H ASN 104 H ASN 104 -6.287 -11.186 -12.373 782 HA ASN 104 HA ASN 104 -5.930 -8.445 -12.309 783 HB2 ASN 104 HB2 ASN 104 -5.450 -10.047 -14.211 784 HB3 ASN 104 HB3 ASN 104 -7.151 -9.919 -14.638 785 HD21 ASN 104 HD21 ASN 104 -6.739 -8.959 -16.616 786 HD22 ASN 104 HD22 ASN 104 -6.156 -7.336 -16.759 787 H GLN 105 H GLN 105 -8.911 -10.256 -12.419 788 HA GLN 105 HA GLN 105 -10.660 -8.285 -13.326 789 HB2 GLN 105 HB2 GLN 105 -10.916 -10.851 -12.733 790 HB3 GLN 105 HB3 GLN 105 -11.495 -10.208 -11.204 791 HG2 GLN 105 HG2 GLN 105 -12.637 -9.316 -13.821 792 HG3 GLN 105 HG3 GLN 105 -13.186 -10.771 -13.005 793 HE21 GLN 105 HE21 GLN 105 -13.173 -7.318 -12.995 794 HE22 GLN 105 HE22 GLN 105 -14.329 -7.099 -11.719 795 H TYR 106 H TYR 106 -9.647 -9.053 -9.975 796 HA TYR 106 HA TYR 106 -11.139 -6.704 -9.076 797 HB2 TYR 106 HB2 TYR 106 -10.720 -7.590 -6.772 798 HB3 TYR 106 HB3 TYR 106 -11.686 -8.639 -7.797 799 HD1 TYR 106 HD1 TYR 106 -8.292 -8.160 -6.373 800 HD2 TYR 106 HD2 TYR 106 -11.009 -10.855 -8.235 801 HE1 TYR 106 HE1 TYR 106 -6.787 -10.031 -5.851 802 HE2 TYR 106 HE2 TYR 106 -9.508 -12.734 -7.723 803 HH TYR 106 HH TYR 106 -7.264 -13.208 -7.160 804 H ARG 107 H ARG 107 -7.963 -7.655 -9.792 805 HA ARG 107 HA ARG 107 -6.575 -5.861 -8.083 806 HB2 ARG 107 HB2 ARG 107 -5.835 -6.961 -10.802 807 HB3 ARG 107 HB3 ARG 107 -4.749 -6.058 -9.766 808 HG2 ARG 107 HG2 ARG 107 -6.022 -8.647 -8.941 809 HG3 ARG 107 HG3 ARG 107 -4.466 -8.548 -9.763 810 HD2 ARG 107 HD2 ARG 107 -3.784 -6.966 -7.869 811 HD3 ARG 107 HD3 ARG 107 -5.213 -7.570 -7.027 812 HE ARG 107 HE ARG 107 -3.955 -9.840 -7.767 813 HH11 ARG 107 HH11 ARG 107 -2.900 -6.993 -6.036 814 HH12 ARG 107 HH12 ARG 107 -1.633 -7.818 -5.178 815 HH21 ARG 107 HH21 ARG 107 -2.292 -10.935 -6.652 816 HH22 ARG 107 HH22 ARG 107 -1.290 -10.064 -5.527 817 H GLY 108 H GLY 108 -6.218 -3.693 -8.302 818 HA2 GLY 108 HA2 GLY 108 -5.894 -1.834 -9.930 819 HA3 GLY 108 HA3 GLY 108 -7.356 -2.418 -10.713 820 H ILE 109 H ILE 109 -8.454 -3.017 -7.955 821 HA ILE 109 HA ILE 109 -9.683 -0.448 -7.534 822 HB ILE 109 HB ILE 109 -9.954 -2.949 -5.853 823 HG12 ILE 109 HG12 ILE 109 -11.659 -2.013 -8.177 824 HG13 ILE 109 HG13 ILE 109 -10.525 -3.359 -8.229 825 HG21 ILE 109 HG21 ILE 109 -12.115 -1.953 -5.198 826 HG22 ILE 109 HG22 ILE 109 -11.708 -0.509 -6.121 827 HG23 ILE 109 HG23 ILE 109 -10.740 -0.958 -4.718 828 HD11 ILE 109 HD11 ILE 109 -12.993 -3.190 -6.517 829 HD12 ILE 109 HD12 ILE 109 -11.854 -4.536 -6.550 830 HD13 ILE 109 HD13 ILE 109 -12.800 -4.147 -7.986 831 H TYR 110 H TYR 110 -7.146 -2.333 -6.114 832 HA TYR 110 HA TYR 110 -6.601 -0.149 -4.229 833 HB2 TYR 110 HB2 TYR 110 -5.735 -1.817 -2.620 834 HB3 TYR 110 HB3 TYR 110 -7.444 -2.062 -2.955 835 HD1 TYR 110 HD2 TYR 110 -8.129 -3.938 -4.484 836 HD2 TYR 110 HD1 TYR 110 -4.143 -3.523 -3.054 837 HE1 TYR 110 HE2 TYR 110 -7.679 -6.282 -5.069 838 HE2 TYR 110 HE1 TYR 110 -3.685 -5.866 -3.638 839 HH TYR 110 HH TYR 110 -4.937 -7.953 -3.987 840 H SER 111 H SER 111 -4.293 0.053 -3.681 841 HA SER 111 HA SER 111 -2.763 -0.061 -6.091 842 HB2 SER 111 HB2 SER 111 -2.667 1.827 -4.427 843 HB3 SER 111 HB3 SER 111 -1.817 0.743 -3.327 844 HG SER 111 HG SER 111 -0.106 1.461 -4.326 845 H PHE 112 H PHE 112 -0.616 -1.002 -6.249 846 HA PHE 112 HA PHE 112 -0.594 -3.647 -4.977 847 HB2 PHE 112 HB2 PHE 112 0.909 -2.787 -7.455 848 HB3 PHE 112 HB3 PHE 112 0.652 -4.430 -6.877 849 HD1 PHE 112 HD1 PHE 112 -1.901 -5.098 -6.628 850 HD2 PHE 112 HD2 PHE 112 -0.414 -2.018 -9.156 851 HE1 PHE 112 HE1 PHE 112 -3.928 -5.262 -8.015 852 HE2 PHE 112 HE2 PHE 112 -2.437 -2.173 -10.546 853 HZ PHE 112 HZ PHE 112 -4.198 -3.794 -9.975 854 H GLU 113 H GLU 113 1.389 -4.521 -4.220 855 HA GLU 113 HA GLU 113 3.214 -2.449 -3.284 856 HB2 GLU 113 HB2 GLU 113 4.047 -4.260 -1.747 857 HB3 GLU 113 HB3 GLU 113 2.372 -3.789 -1.511 858 HG2 GLU 113 HG2 GLU 113 1.733 -5.773 -2.923 859 HG3 GLU 113 HG3 GLU 113 3.420 -6.280 -2.824 860 H LYS 114 H LYS 114 4.602 -2.038 -4.876 861 HA LYS 114 HA LYS 114 6.396 -4.224 -5.673 862 HB2 LYS 114 HB2 LYS 114 4.822 -3.633 -7.536 863 HB3 LYS 114 HB3 LYS 114 5.462 -1.996 -7.502 864 HG2 LYS 114 HG2 LYS 114 6.487 -3.231 -9.298 865 HG3 LYS 114 HG3 LYS 114 7.695 -2.878 -8.060 866 HD2 LYS 114 HD2 LYS 114 7.343 -5.168 -7.150 867 HD3 LYS 114 HD3 LYS 114 6.263 -5.499 -8.505 868 HE2 LYS 114 HE2 LYS 114 8.088 -5.099 -10.071 869 HE3 LYS 114 HE3 LYS 114 9.168 -4.714 -8.734 870 HZ1 LYS 114 HZ1 LYS 114 7.998 -7.333 -9.447 871 HZ2 LYS 114 HZ2 LYS 114 8.634 -7.042 -7.904 872 HZ3 LYS 114 HZ3 LYS 114 9.631 -6.925 -9.270 873 H VAL 115 H VAL 115 8.579 -3.630 -5.856 874 HA VAL 115 HA VAL 115 9.177 -1.168 -4.406 875 HB VAL 115 HB VAL 115 10.954 -3.534 -5.007 876 HG11 VAL 115 HG11 VAL 115 11.458 -1.090 -3.306 877 HG12 VAL 115 HG12 VAL 115 12.266 -1.492 -4.821 878 HG13 VAL 115 HG13 VAL 115 12.507 -2.504 -3.397 879 HG21 VAL 115 HG21 VAL 115 10.732 -3.942 -2.577 880 HG22 VAL 115 HG22 VAL 115 9.208 -4.096 -3.451 881 HG23 VAL 115 HG23 VAL 115 9.538 -2.645 -2.502 882 H LYS 116 H LYS 116 9.760 0.533 -5.427 883 HA LYS 116 HA LYS 116 11.797 0.409 -7.478 884 HB2 LYS 116 HB2 LYS 116 9.056 1.569 -7.891 885 HB3 LYS 116 HB3 LYS 116 10.441 2.317 -8.678 886 HG2 LYS 116 HG2 LYS 116 9.694 -0.586 -8.958 887 HG3 LYS 116 HG3 LYS 116 9.240 0.685 -10.099 888 HD2 LYS 116 HD2 LYS 116 11.528 1.120 -10.633 889 HD3 LYS 116 HD3 LYS 116 12.090 0.074 -9.330 890 HE2 LYS 116 HE2 LYS 116 10.447 -0.912 -11.646 891 HE3 LYS 116 HE3 LYS 116 12.210 -0.901 -11.651 892 HZ1 LYS 116 HZ1 LYS 116 10.593 -2.268 -9.575 893 HZ2 LYS 116 HZ2 LYS 116 12.262 -2.404 -9.834 894 HZ3 LYS 116 HZ3 LYS 116 11.167 -3.042 -10.966 895 H ALA 117 H ALA 117 12.540 2.799 -7.879 896 HA ALA 117 HA ALA 117 12.093 4.431 -5.491 897 HB1 ALA 117 HB1 ALA 117 14.094 3.106 -5.023 898 HB2 ALA 117 HB2 ALA 117 14.491 4.816 -5.201 899 HB3 ALA 117 HB3 ALA 117 14.836 3.690 -6.514 900 H HIS 118 H HIS 118 11.045 4.801 -8.066 901 HA HIS 118 HA HIS 118 12.233 7.402 -8.627 902 HB2 HIS 118 HB2 HIS 118 12.377 7.121 -10.996 903 HB3 HIS 118 HB3 HIS 118 13.241 5.782 -10.260 904 HD1 HIS 118 HD1 HIS 118 12.420 3.438 -10.763 905 HD2 HIS 118 HD2 HIS 118 9.957 6.411 -12.310 906 HE1 HIS 118 HE1 HIS 118 10.854 2.266 -12.345 907 HE2 HIS 118 HE2 HIS 118 9.566 4.126 -13.464 908 H SER 119 H SER 119 9.614 5.764 -7.773 909 HA SER 119 HA SER 119 7.760 7.485 -9.292 910 HB2 SER 119 HB2 SER 119 6.713 5.237 -7.653 911 HB3 SER 119 HB3 SER 119 6.204 5.801 -9.246 912 HG SER 119 HG SER 119 8.229 4.004 -8.531 913 H GLY 120 H GLY 120 9.435 7.426 -6.564 914 HA2 GLY 120 HA2 GLY 120 7.398 8.040 -4.634 915 HA3 GLY 120 HA3 GLY 120 9.136 8.096 -4.384 916 H ASN 121 H ASN 121 6.342 9.846 -5.538 917 HA ASN 121 HA ASN 121 7.614 12.308 -6.033 918 HB2 ASN 121 HB2 ASN 121 4.793 11.715 -5.105 919 HB3 ASN 121 HB3 ASN 121 5.349 13.295 -5.642 920 HD21 ASN 121 HD21 ASN 121 5.924 13.577 -7.812 921 HD22 ASN 121 HD22 ASN 121 5.335 12.519 -9.047 922 H GLU 122 H GLU 122 6.940 14.287 -4.559 923 HA GLU 122 HA GLU 122 8.644 14.312 -2.445 924 HB2 GLU 122 HB2 GLU 122 6.143 15.933 -2.829 925 HB3 GLU 122 HB3 GLU 122 7.345 16.283 -1.594 926 HG2 GLU 122 HG2 GLU 122 7.763 16.294 -4.570 927 HG3 GLU 122 HG3 GLU 122 7.690 17.698 -3.506 928 H PHE 123 H PHE 123 5.139 13.858 -2.121 929 HA PHE 123 HA PHE 123 5.342 13.443 0.707 930 HB2 PHE 123 HB2 PHE 123 3.018 13.032 -1.179 931 HB3 PHE 123 HB3 PHE 123 2.916 12.981 0.578 932 HD1 PHE 123 HD2 PHE 123 3.738 15.097 1.832 933 HD2 PHE 123 HD1 PHE 123 2.672 15.030 -2.286 934 HE1 PHE 123 HE2 PHE 123 3.402 17.533 1.884 935 HE2 PHE 123 HE1 PHE 123 2.337 17.467 -2.243 936 HZ PHE 123 HZ PHE 123 2.701 18.721 -0.159 937 H ASN 124 H ASN 124 5.402 11.411 -2.087 938 HA ASN 124 HA ASN 124 4.639 8.996 -0.729 939 HB2 ASN 124 HB2 ASN 124 4.246 9.292 -3.145 940 HB3 ASN 124 HB3 ASN 124 5.982 9.367 -3.419 941 HD21 ASN 124 HD21 ASN 124 5.873 7.587 -4.824 942 HD22 ASN 124 HD22 ASN 124 5.673 5.978 -4.229 943 H ASP 125 H ASP 125 7.682 10.460 -1.789 944 HA ASP 125 HA ASP 125 9.365 8.320 -0.995 945 HB2 ASP 125 HB2 ASP 125 10.107 10.042 -2.571 946 HB3 ASP 125 HB3 ASP 125 9.977 11.269 -1.316 947 H TYR 126 H TYR 126 7.924 10.991 0.694 948 HA TYR 126 HA TYR 126 9.544 10.977 2.998 949 HB2 TYR 126 HB2 TYR 126 7.959 12.798 2.423 950 HB3 TYR 126 HB3 TYR 126 6.616 11.722 2.797 951 HD1 TYR 126 HD2 TYR 126 9.773 12.919 4.397 952 HD2 TYR 126 HD1 TYR 126 5.663 11.946 4.885 953 HE1 TYR 126 HE2 TYR 126 9.898 13.602 6.753 954 HE2 TYR 126 HE1 TYR 126 5.777 12.627 7.246 955 HH TYR 126 HH TYR 126 7.416 12.924 9.012 956 H VAL 127 H VAL 127 6.813 9.008 2.026 957 HA VAL 127 HA VAL 127 6.338 7.785 4.530 958 HB VAL 127 HB VAL 127 5.869 6.589 1.791 959 HG11 VAL 127 HG11 VAL 127 5.746 4.945 3.587 960 HG12 VAL 127 HG12 VAL 127 4.145 5.260 2.916 961 HG13 VAL 127 HG13 VAL 127 4.610 5.972 4.461 962 HG21 VAL 127 HG21 VAL 127 4.043 8.280 3.496 963 HG22 VAL 127 HG22 VAL 127 3.590 7.477 1.991 964 HG23 VAL 127 HG23 VAL 127 4.793 8.767 1.976 965 H ASP 128 H ASP 128 8.369 6.901 1.766 966 HA ASP 128 HA ASP 128 9.451 4.535 2.849 967 HB2 ASP 128 HB2 ASP 128 9.693 5.029 0.483 968 HB3 ASP 128 HB3 ASP 128 10.621 6.483 0.845 969 H MET 129 H MET 129 10.234 7.902 3.280 970 HA MET 129 HA MET 129 12.761 7.675 4.439 971 HB2 MET 129 HB2 MET 129 11.775 9.821 3.767 972 HB3 MET 129 HB3 MET 129 10.587 9.688 5.056 973 HG2 MET 129 HG2 MET 129 12.326 9.839 6.725 974 HG3 MET 129 HG3 MET 129 13.562 9.854 5.468 975 HE1 MET 129 HE1 MET 129 12.222 11.702 3.258 976 HE2 MET 129 HE2 MET 129 13.908 11.850 3.752 977 HE3 MET 129 HE3 MET 129 12.878 13.280 3.696 978 H LYS 130 H LYS 130 9.541 7.405 5.876 979 HA LYS 130 HA LYS 130 10.599 6.926 8.512 980 HB2 LYS 130 HB2 LYS 130 8.317 7.938 7.953 981 HB3 LYS 130 HB3 LYS 130 7.803 6.305 7.564 982 HG2 LYS 130 HG2 LYS 130 9.023 6.859 10.231 983 HG3 LYS 130 HG3 LYS 130 7.346 7.306 9.926 984 HD2 LYS 130 HD2 LYS 130 6.780 5.030 9.396 985 HD3 LYS 130 HD3 LYS 130 8.472 4.543 9.495 986 HE2 LYS 130 HE2 LYS 130 8.523 4.923 11.849 987 HE3 LYS 130 HE3 LYS 130 6.945 5.710 11.815 988 HZ1 LYS 130 HZ1 LYS 130 7.167 3.237 12.556 989 HZ2 LYS 130 HZ2 LYS 130 7.166 2.930 10.888 990 HZ3 LYS 130 HZ3 LYS 130 5.848 3.725 11.606 991 H ALA 131 H ALA 131 9.514 5.011 5.784 992 HA ALA 131 HA ALA 131 9.175 2.551 7.120 993 HB1 ALA 131 HB1 ALA 131 9.822 2.958 4.209 994 HB2 ALA 131 HB2 ALA 131 8.212 3.105 4.910 995 HB3 ALA 131 HB3 ALA 131 9.048 1.553 4.943 996 H LYS 132 H LYS 132 11.934 3.711 5.139 997 HA LYS 132 HA LYS 132 13.421 1.325 5.488 998 HB2 LYS 132 HB2 LYS 132 14.214 4.088 4.611 999 HB3 LYS 132 HB3 LYS 132 15.390 2.787 4.766 1000 HG2 LYS 132 HG2 LYS 132 13.672 1.487 3.264 1001 HG3 LYS 132 HG3 LYS 132 13.171 3.119 2.814 1002 HD2 LYS 132 HD2 LYS 132 15.372 3.665 2.064 1003 HD3 LYS 132 HD3 LYS 132 16.023 2.158 2.710 1004 HE2 LYS 132 HE2 LYS 132 15.809 1.744 0.430 1005 HE3 LYS 132 HE3 LYS 132 14.379 0.997 1.130 1006 HZ1 LYS 132 HZ1 LYS 132 13.807 2.243 -0.839 1007 HZ2 LYS 132 HZ2 LYS 132 14.487 3.655 -0.194 1008 HZ3 LYS 132 HZ3 LYS 132 13.105 2.975 0.520 1009 H SER 133 H SER 133 13.177 4.259 7.370 1010 HA SER 133 HA SER 133 15.441 3.745 9.008 1011 HB2 SER 133 HB2 SER 133 13.017 5.477 9.515 1012 HB3 SER 133 HB3 SER 133 14.496 5.486 10.479 1013 HG SER 133 HG SER 133 15.634 6.158 8.653 1014 H ALA 134 H ALA 134 12.094 2.758 9.079 1015 HA ALA 134 HA ALA 134 12.072 1.719 11.721 1016 HB1 ALA 134 HB1 ALA 134 10.435 0.875 9.330 1017 HB2 ALA 134 HB2 ALA 134 10.014 2.153 10.471 1018 HB3 ALA 134 HB3 ALA 134 10.093 0.478 11.013 1019 H LEU 135 H LEU 135 13.459 0.670 8.776 1020 HA LEU 135 HA LEU 135 13.820 -2.081 9.635 1021 HB2 LEU 135 HB2 LEU 135 14.835 -0.604 7.200 1022 HB3 LEU 135 HB3 LEU 135 15.048 -2.320 7.495 1023 HG LEU 135 HG LEU 135 12.361 -0.978 7.179 1024 HD11 LEU 135 HD11 LEU 135 12.318 -1.988 4.955 1025 HD12 LEU 135 HD12 LEU 135 13.970 -2.562 5.180 1026 HD13 LEU 135 HD13 LEU 135 13.639 -0.831 5.111 1027 HD21 LEU 135 HD21 LEU 135 13.173 -3.885 7.217 1028 HD22 LEU 135 HD22 LEU 135 11.547 -3.270 6.910 1029 HD23 LEU 135 HD23 LEU 135 12.297 -3.032 8.488 1030 H GLY 136 H GLY 136 15.241 0.860 10.216 1031 HA2 GLY 136 HA2 GLY 136 17.055 1.126 11.698 1032 HA3 GLY 136 HA3 GLY 136 17.647 -0.452 11.209 1033 H ILE 137 H ILE 137 16.683 1.652 8.682 1034 HA ILE 137 HA ILE 137 19.501 1.973 7.934 1035 HB ILE 137 HB ILE 137 17.029 2.253 6.212 1036 HG12 ILE 137 HG12 ILE 137 19.039 -0.005 6.376 1037 HG13 ILE 137 HG13 ILE 137 17.403 -0.056 7.025 1038 HG21 ILE 137 HG21 ILE 137 19.952 2.182 5.471 1039 HG22 ILE 137 HG22 ILE 137 18.884 3.582 5.381 1040 HG23 ILE 137 HG23 ILE 137 18.609 2.191 4.331 1041 HD11 ILE 137 HD11 ILE 137 18.153 0.224 4.126 1042 HD12 ILE 137 HD12 ILE 137 16.510 0.208 4.764 1043 HD13 ILE 137 HD13 ILE 137 17.528 -1.225 4.913 1044 H ARG 138 H ARG 138 20.400 3.896 7.595 1045 HA ARG 138 HA ARG 138 20.818 6.079 7.415 1046 HB2 ARG 138 HB2 ARG 138 19.392 7.534 6.344 1047 HB3 ARG 138 HB3 ARG 138 18.809 5.973 5.794 1048 HG2 ARG 138 HG2 ARG 138 16.964 6.077 7.343 1049 HG3 ARG 138 HG3 ARG 138 17.579 7.586 8.019 1050 HD2 ARG 138 HD2 ARG 138 15.721 7.912 6.421 1051 HD3 ARG 138 HD3 ARG 138 17.205 8.727 5.939 1052 HE ARG 138 HE ARG 138 17.523 7.050 4.259 1053 HH11 ARG 138 HH11 ARG 138 14.439 6.835 5.899 1054 HH12 ARG 138 HH12 ARG 138 13.635 6.091 4.553 1055 HH21 ARG 138 HH21 ARG 138 16.478 6.051 2.492 1056 HH22 ARG 138 HH22 ARG 138 14.785 5.661 2.611 1057 H ASP 139 H ASP 139 21.084 7.830 8.618 1058 HA ASP 139 HA ASP 139 21.366 9.017 10.495 1059 HB2 ASP 139 HB2 ASP 139 19.541 10.249 10.826 1060 HB3 ASP 139 HB3 ASP 139 18.586 9.055 9.961 1061 H LEU 140 H LEU 140 21.047 9.032 12.970 1062 HA LEU 140 HA LEU 140 22.070 6.470 13.807 1063 HB2 LEU 140 HB2 LEU 140 21.808 9.077 15.295 1064 HB3 LEU 140 HB3 LEU 140 22.632 7.651 15.898 1065 HG LEU 140 HG LEU 140 23.449 9.214 13.445 1066 HD11 LEU 140 HD11 LEU 140 23.802 10.467 15.519 1067 HD12 LEU 140 HD12 LEU 140 25.326 9.974 14.781 1068 HD13 LEU 140 HD13 LEU 140 24.703 9.104 16.184 1069 HD21 LEU 140 HD21 LEU 140 24.797 6.938 14.888 1070 HD22 LEU 140 HD22 LEU 140 25.475 7.848 13.536 1071 HD23 LEU 140 HD23 LEU 140 24.035 6.855 13.301 1072 H GLU 141 H GLU 141 19.320 8.558 14.719 1073 HA GLU 141 HA GLU 141 18.198 6.276 16.161 1074 HB2 GLU 141 HB2 GLU 141 17.700 7.667 18.148 1075 HB3 GLU 141 HB3 GLU 141 19.419 7.418 17.880 1076 HG2 GLU 141 HG2 GLU 141 19.584 9.657 16.901 1077 HG3 GLU 141 HG3 GLU 141 17.860 9.899 17.179 1078 H HIS 142 H HIS 142 17.654 9.474 14.778 1079 HA HIS 142 HA HIS 142 14.757 8.926 14.830 1080 HB2 HIS 142 HB2 HIS 142 16.080 11.594 15.390 1081 HB3 HIS 142 HB3 HIS 142 14.352 11.357 15.170 1082 HD1 HIS 142 HD1 HIS 142 16.201 12.257 17.790 1083 HD2 HIS 142 HD2 HIS 142 13.941 8.816 17.205 1084 HE1 HIS 142 HE1 HIS 142 15.632 11.421 20.089 1085 HE2 HIS 142 HE2 HIS 142 14.458 9.226 19.705 1086 H HIS 143 H HIS 143 13.940 8.899 12.843 1087 HA HIS 143 HA HIS 143 15.496 9.725 10.595 1088 HB2 HIS 143 HB2 HIS 143 13.306 9.209 9.316 1089 HB3 HIS 143 HB3 HIS 143 14.169 7.887 10.088 1090 HD1 HIS 143 HD1 HIS 143 11.029 9.950 10.403 1091 HD2 HIS 143 HD2 HIS 143 12.805 6.592 12.102 1092 HE1 HIS 143 HE1 HIS 143 9.246 8.876 11.813 1093 HE2 HIS 143 HE2 HIS 143 10.424 6.990 13.016 1094 H HIS 144 H HIS 144 15.555 11.896 11.793 1095 HA HIS 144 HA HIS 144 13.926 13.721 10.188 1096 HB2 HIS 144 HB2 HIS 144 12.987 13.505 12.557 1097 HB3 HIS 144 HB3 HIS 144 14.496 14.206 13.125 1098 HD1 HIS 144 HD1 HIS 144 14.517 16.681 13.329 1099 HD2 HIS 144 HD2 HIS 144 11.561 15.339 10.725 1100 HE1 HIS 144 HE1 HIS 144 13.197 18.721 12.687 1101 HE2 HIS 144 HE2 HIS 144 11.300 17.855 11.271 1102 H HIS 145 H HIS 145 16.734 12.479 10.652 1103 HA HIS 145 HA HIS 145 18.308 14.976 10.699 1104 HB2 HIS 145 HB2 HIS 145 19.293 12.149 11.185 1105 HB3 HIS 145 HB3 HIS 145 20.224 13.629 11.362 1106 HD1 HIS 145 HD1 HIS 145 18.809 11.185 13.390 1107 HD2 HIS 145 HD2 HIS 145 18.666 15.345 13.450 1108 HE1 HIS 145 HE1 HIS 145 18.271 11.820 15.762 1109 HE2 HIS 145 HE2 HIS 145 18.451 14.324 15.813 1110 H HIS 146 H HIS 146 20.407 14.684 9.367 1111 HA HIS 146 HA HIS 146 20.137 12.786 7.181 1112 HB2 HIS 146 HB2 HIS 146 19.058 14.945 6.433 1113 HB3 HIS 146 HB3 HIS 146 20.639 15.704 6.583 1114 HD1 HIS 146 HD1 HIS 146 21.130 16.155 4.151 1115 HD2 HIS 146 HD2 HIS 146 20.037 12.202 4.867 1116 HE1 HIS 146 HE1 HIS 146 21.512 14.937 1.983 1117 HE2 HIS 146 HE2 HIS 146 20.962 12.527 2.470 1118 H HIS 147 H HIS 147 21.869 11.738 8.074 1119 HA HIS 147 HA HIS 147 24.457 12.856 7.403 1120 HB2 HIS 147 HB2 HIS 147 23.579 12.364 10.204 1121 HB3 HIS 147 HB3 HIS 147 25.207 11.847 9.775 1122 HD1 HIS 147 HD1 HIS 147 23.654 14.576 11.300 1123 HD2 HIS 147 HD2 HIS 147 26.488 14.242 8.271 1124 HE1 HIS 147 HE1 HIS 147 24.844 16.793 11.224 1125 HE2 HIS 147 HE2 HIS 147 26.407 16.626 9.259 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -14.404 13.314 3.267 2 H2 MET 1 H2 MET 1 -13.063 13.691 4.243 3 H3 MET 1 H3 MET 1 -12.841 13.282 2.608 4 HA MET 1 HA MET 1 -14.362 15.649 3.513 5 HB2 MET 1 HB2 MET 1 -11.822 15.541 4.048 6 HB3 MET 1 HB3 MET 1 -11.586 15.651 2.313 7 HG2 MET 1 HG2 MET 1 -13.355 17.705 3.411 8 HG3 MET 1 HG3 MET 1 -11.704 17.757 4.026 9 HE1 MET 1 HE1 MET 1 -11.675 20.583 1.324 10 HE2 MET 1 HE2 MET 1 -11.322 20.170 3.002 11 HE3 MET 1 HE3 MET 1 -12.988 20.161 2.423 12 H ASP 2 H ASP 2 -13.662 17.206 1.293 13 HA ASP 2 HA ASP 2 -15.051 15.823 -0.828 14 HB2 ASP 2 HB2 ASP 2 -15.486 18.228 -0.387 15 HB3 ASP 2 HB3 ASP 2 -13.824 18.591 -0.845 16 H ASP 3 H ASP 3 -13.418 14.173 -0.930 17 HA ASP 3 HA ASP 3 -11.118 14.949 -2.566 18 HB2 ASP 3 HB2 ASP 3 -10.061 12.795 -1.586 19 HB3 ASP 3 HB3 ASP 3 -10.082 14.247 -0.599 20 H ARG 4 H ARG 4 -11.645 14.463 -4.520 21 HA ARG 4 HA ARG 4 -13.174 12.003 -5.063 22 HB2 ARG 4 HB2 ARG 4 -12.843 14.317 -6.959 23 HB3 ARG 4 HB3 ARG 4 -14.095 13.079 -6.946 24 HG2 ARG 4 HG2 ARG 4 -15.109 14.025 -5.001 25 HG3 ARG 4 HG3 ARG 4 -13.765 15.148 -4.787 26 HD2 ARG 4 HD2 ARG 4 -14.381 15.998 -7.130 27 HD3 ARG 4 HD3 ARG 4 -15.905 15.145 -6.887 28 HE ARG 4 HE ARG 4 -15.502 16.708 -4.627 29 HH11 ARG 4 HH11 ARG 4 -16.017 17.181 -8.060 30 HH12 ARG 4 HH12 ARG 4 -16.667 18.781 -7.874 31 HH21 ARG 4 HH21 ARG 4 -16.338 18.790 -4.372 32 HH22 ARG 4 HH22 ARG 4 -16.861 19.698 -5.760 33 H THR 5 H THR 5 -10.124 13.104 -5.068 34 HA THR 5 HA THR 5 -9.184 12.310 -7.639 35 HB THR 5 HB THR 5 -6.919 12.462 -6.564 36 HG1 THR 5 HG1 THR 5 -8.167 12.044 -4.381 37 HG21 THR 5 HG21 THR 5 -7.948 14.418 -7.625 38 HG22 THR 5 HG22 THR 5 -6.997 14.889 -6.218 39 HG23 THR 5 HG23 THR 5 -8.756 14.821 -6.109 40 H GLU 6 H GLU 6 -8.117 10.464 -8.251 41 HA GLU 6 HA GLU 6 -8.694 8.015 -6.990 42 HB2 GLU 6 HB2 GLU 6 -6.929 7.125 -8.574 43 HB3 GLU 6 HB3 GLU 6 -8.245 8.013 -9.328 44 HG2 GLU 6 HG2 GLU 6 -6.578 10.038 -9.064 45 HG3 GLU 6 HG3 GLU 6 -5.381 8.742 -9.039 46 H TYR 7 H TYR 7 -7.514 6.727 -5.609 47 HA TYR 7 HA TYR 7 -5.785 8.152 -3.839 48 HB2 TYR 7 HB2 TYR 7 -6.448 5.205 -3.874 49 HB3 TYR 7 HB3 TYR 7 -5.687 6.077 -2.552 50 HD1 TYR 7 HD1 TYR 7 -7.146 8.222 -1.763 51 HD2 TYR 7 HD2 TYR 7 -8.677 4.725 -3.644 52 HE1 TYR 7 HE1 TYR 7 -9.354 8.661 -0.771 53 HE2 TYR 7 HE2 TYR 7 -10.891 5.161 -2.667 54 HH TYR 7 HH TYR 7 -11.781 8.071 -1.358 55 H ASP 8 H ASP 8 -3.640 8.085 -3.628 56 HA ASP 8 HA ASP 8 -2.149 6.164 -5.291 57 HB2 ASP 8 HB2 ASP 8 -1.900 8.711 -5.757 58 HB3 ASP 8 HB3 ASP 8 -0.975 8.743 -4.260 59 H VAL 9 H VAL 9 -0.653 4.891 -4.237 60 HA VAL 9 HA VAL 9 -0.502 5.271 -1.332 61 HB VAL 9 HB VAL 9 -0.750 2.816 -0.993 62 HG11 VAL 9 HG11 VAL 9 -3.174 2.758 -1.272 63 HG12 VAL 9 HG12 VAL 9 -3.085 4.149 -2.352 64 HG13 VAL 9 HG13 VAL 9 -2.640 4.322 -0.655 65 HG21 VAL 9 HG21 VAL 9 -1.770 1.464 -2.765 66 HG22 VAL 9 HG22 VAL 9 -0.147 2.007 -3.189 67 HG23 VAL 9 HG23 VAL 9 -1.554 2.803 -3.892 68 H TYR 10 H TYR 10 1.495 5.369 -0.651 69 HA TYR 10 HA TYR 10 3.606 4.213 -2.341 70 HB2 TYR 10 HB2 TYR 10 3.782 6.431 -0.291 71 HB3 TYR 10 HB3 TYR 10 5.126 5.822 -1.251 72 HD1 TYR 10 HD1 TYR 10 4.369 5.718 -3.921 73 HD2 TYR 10 HD2 TYR 10 3.013 8.476 -0.980 74 HE1 TYR 10 HE1 TYR 10 3.837 7.338 -5.692 75 HE2 TYR 10 HE2 TYR 10 2.477 10.102 -2.743 76 HH TYR 10 HH TYR 10 2.137 9.331 -5.890 77 H THR 11 H THR 11 5.179 2.942 -1.484 78 HA THR 11 HA THR 11 5.125 2.347 1.368 79 HB THR 11 HB THR 11 3.785 0.559 0.634 80 HG1 THR 11 HG1 THR 11 6.474 -0.385 0.581 81 HG21 THR 11 HG21 THR 11 4.058 0.863 -1.775 82 HG22 THR 11 HG22 THR 11 4.270 -0.829 -1.327 83 HG23 THR 11 HG23 THR 11 5.677 0.171 -1.688 84 H ASP 12 H ASP 12 7.104 3.075 1.870 85 HA ASP 12 HA ASP 12 9.288 2.657 -0.014 86 HB2 ASP 12 HB2 ASP 12 8.885 4.901 1.097 87 HB3 ASP 12 HB3 ASP 12 9.417 4.160 2.603 88 H GLY 13 H GLY 13 10.934 1.344 0.295 89 HA2 GLY 13 HA2 GLY 13 11.434 0.192 2.937 90 HA3 GLY 13 HA3 GLY 13 11.154 -0.913 1.590 91 H SER 14 H SER 14 12.733 2.183 1.338 92 HA SER 14 HA SER 14 14.986 0.885 0.048 93 HB2 SER 14 HB2 SER 14 13.887 2.876 -0.961 94 HB3 SER 14 HB3 SER 14 14.385 3.832 0.432 95 HG SER 14 HG SER 14 16.302 4.007 -0.391 96 H TYR 15 H TYR 15 16.405 0.050 1.442 97 HA TYR 15 HA TYR 15 16.958 1.016 4.007 98 HB2 TYR 15 HB2 TYR 15 19.062 -0.392 3.814 99 HB3 TYR 15 HB3 TYR 15 17.538 -1.233 3.576 100 HD1 TYR 15 HD1 TYR 15 16.861 -1.935 1.290 101 HD2 TYR 15 HD2 TYR 15 20.691 -0.256 2.077 102 HE1 TYR 15 HE1 TYR 15 17.686 -2.832 -0.845 103 HE2 TYR 15 HE2 TYR 15 21.524 -1.144 -0.058 104 HH TYR 15 HH TYR 15 19.489 -2.349 -2.478 105 H VAL 16 H VAL 16 18.345 2.459 4.813 106 HA VAL 16 HA VAL 16 20.062 3.909 2.909 107 HB VAL 16 HB VAL 16 18.072 5.254 3.381 108 HG11 VAL 16 HG11 VAL 16 17.475 4.346 5.557 109 HG12 VAL 16 HG12 VAL 16 17.603 6.104 5.619 110 HG13 VAL 16 HG13 VAL 16 18.897 5.103 6.277 111 HG21 VAL 16 HG21 VAL 16 20.176 6.407 3.003 112 HG22 VAL 16 HG22 VAL 16 20.544 6.338 4.726 113 HG23 VAL 16 HG23 VAL 16 19.177 7.296 4.153 114 H ASN 17 H ASN 17 22.103 4.254 3.548 115 HA ASN 17 HA ASN 17 24.034 4.000 4.716 116 HB2 ASN 17 HB2 ASN 17 22.168 4.717 6.970 117 HB3 ASN 17 HB3 ASN 17 23.876 4.388 7.256 118 HD21 ASN 17 HD21 ASN 17 21.576 6.573 5.853 119 HD22 ASN 17 HD22 ASN 17 22.674 7.878 5.567 120 H GLY 18 H GLY 18 22.300 1.681 4.183 121 HA2 GLY 18 HA2 GLY 18 22.766 -0.587 4.462 122 HA3 GLY 18 HA3 GLY 18 23.760 -0.190 5.855 123 H GLN 19 H GLN 19 20.928 1.410 6.322 124 HA GLN 19 HA GLN 19 19.840 -0.839 7.882 125 HB2 GLN 19 HB2 GLN 19 19.757 2.130 8.422 126 HB3 GLN 19 HB3 GLN 19 18.838 0.943 9.341 127 HG2 GLN 19 HG2 GLN 19 21.834 0.937 9.076 128 HG3 GLN 19 HG3 GLN 19 20.950 1.651 10.424 129 HE21 GLN 19 HE21 GLN 19 21.812 -1.330 8.818 130 HE22 GLN 19 HE22 GLN 19 21.407 -2.375 10.134 131 H TYR 20 H TYR 20 17.859 -1.523 7.426 132 HA TYR 20 HA TYR 20 16.361 -0.022 5.406 133 HB2 TYR 20 HB2 TYR 20 15.291 -2.136 4.825 134 HB3 TYR 20 HB3 TYR 20 17.042 -2.304 4.774 135 HD1 TYR 20 HD1 TYR 20 14.038 -3.057 6.796 136 HD2 TYR 20 HD2 TYR 20 18.145 -3.923 6.113 137 HE1 TYR 20 HE1 TYR 20 13.872 -4.989 8.292 138 HE2 TYR 20 HE2 TYR 20 17.988 -5.866 7.618 139 HH TYR 20 HH TYR 20 16.568 -6.638 9.499 140 H ALA 21 H ALA 21 14.050 -0.036 5.507 141 HA ALA 21 HA ALA 21 12.734 -0.747 7.979 142 HB1 ALA 21 HB1 ALA 21 11.786 1.509 8.314 143 HB2 ALA 21 HB2 ALA 21 12.836 2.126 7.039 144 HB3 ALA 21 HB3 ALA 21 13.537 1.489 8.528 145 H TRP 22 H TRP 22 10.295 -0.248 7.710 146 HA TRP 22 HA TRP 22 9.557 -0.053 4.892 147 HB2 TRP 22 HB2 TRP 22 7.859 -1.883 5.216 148 HB3 TRP 22 HB3 TRP 22 9.533 -2.411 5.187 149 HD1 TRP 22 HD1 TRP 22 10.614 -2.989 7.703 150 HE1 TRP 22 HE1 TRP 22 9.458 -4.103 9.719 151 HE3 TRP 22 HE3 TRP 22 5.746 -2.149 6.403 152 HZ2 TRP 22 HZ2 TRP 22 6.824 -4.565 10.628 153 HZ3 TRP 22 HZ3 TRP 22 3.969 -2.961 7.894 154 HH2 TRP 22 HH2 TRP 22 4.497 -4.144 9.963 155 H ALA 23 H ALA 23 7.879 1.217 4.526 156 HA ALA 23 HA ALA 23 6.115 1.959 6.733 157 HB1 ALA 23 HB1 ALA 23 6.534 4.331 6.436 158 HB2 ALA 23 HB2 ALA 23 7.731 3.984 5.189 159 HB3 ALA 23 HB3 ALA 23 8.029 3.495 6.856 160 H TYR 24 H TYR 24 4.192 3.003 6.068 161 HA TYR 24 HA TYR 24 3.674 2.835 3.174 162 HB2 TYR 24 HB2 TYR 24 1.823 2.076 5.443 163 HB3 TYR 24 HB3 TYR 24 1.314 2.227 3.766 164 HD1 TYR 24 HD1 TYR 24 3.206 0.210 6.165 165 HD2 TYR 24 HD2 TYR 24 1.951 0.558 2.114 166 HE1 TYR 24 HE1 TYR 24 3.826 -2.138 5.776 167 HE2 TYR 24 HE2 TYR 24 2.572 -1.787 1.713 168 HH TYR 24 HH TYR 24 3.264 -3.961 4.222 169 H ALA 25 H ALA 25 2.629 4.491 2.250 170 HA ALA 25 HA ALA 25 1.553 6.615 3.980 171 HB1 ALA 25 HB1 ALA 25 3.798 7.266 3.173 172 HB2 ALA 25 HB2 ALA 25 2.522 8.321 2.565 173 HB3 ALA 25 HB3 ALA 25 3.226 7.093 1.514 174 H PHE 26 H PHE 26 -0.547 6.593 3.583 175 HA PHE 26 HA PHE 26 -1.501 6.095 0.852 176 HB2 PHE 26 HB2 PHE 26 -3.040 6.216 3.460 177 HB3 PHE 26 HB3 PHE 26 -3.712 5.787 1.892 178 HD1 PHE 26 HD1 PHE 26 -1.523 4.683 4.631 179 HD2 PHE 26 HD2 PHE 26 -3.390 3.615 0.959 180 HE1 PHE 26 HE1 PHE 26 -0.983 2.320 5.047 181 HE2 PHE 26 HE2 PHE 26 -2.855 1.251 1.371 182 HZ PHE 26 HZ PHE 26 -1.649 0.600 3.416 183 H VAL 27 H VAL 27 -1.642 7.901 -0.324 184 HA VAL 27 HA VAL 27 -2.415 10.383 1.056 185 HB VAL 27 HB VAL 27 -0.232 10.705 0.241 186 HG11 VAL 27 HG11 VAL 27 -1.128 9.555 -2.393 187 HG12 VAL 27 HG12 VAL 27 -0.087 8.763 -1.209 188 HG13 VAL 27 HG13 VAL 27 0.473 10.212 -2.045 189 HG21 VAL 27 HG21 VAL 27 -1.749 12.558 -0.298 190 HG22 VAL 27 HG22 VAL 27 -2.052 11.833 -1.877 191 HG23 VAL 27 HG23 VAL 27 -0.437 12.412 -1.467 192 H LYS 28 H LYS 28 -4.038 11.610 0.320 193 HA LYS 28 HA LYS 28 -5.252 11.027 -2.264 194 HB2 LYS 28 HB2 LYS 28 -7.511 10.893 -1.325 195 HB3 LYS 28 HB3 LYS 28 -6.496 9.612 -0.688 196 HG2 LYS 28 HG2 LYS 28 -7.540 10.266 1.225 197 HG3 LYS 28 HG3 LYS 28 -6.143 11.343 1.277 198 HD2 LYS 28 HD2 LYS 28 -7.529 13.087 0.165 199 HD3 LYS 28 HD3 LYS 28 -8.919 12.009 0.300 200 HE2 LYS 28 HE2 LYS 28 -8.625 11.988 2.749 201 HE3 LYS 28 HE3 LYS 28 -7.299 13.138 2.578 202 HZ1 LYS 28 HZ1 LYS 28 -8.846 14.726 1.603 203 HZ2 LYS 28 HZ2 LYS 28 -9.364 14.253 3.146 204 HZ3 LYS 28 HZ3 LYS 28 -10.120 13.618 1.767 205 H ASP 29 H ASP 29 -5.899 12.858 -3.274 206 HA ASP 29 HA ASP 29 -6.417 15.034 -3.687 207 HB2 ASP 29 HB2 ASP 29 -8.220 14.548 -2.038 208 HB3 ASP 29 HB3 ASP 29 -7.171 15.133 -0.755 209 H GLY 30 H GLY 30 -3.798 14.148 -2.149 210 HA2 GLY 30 HA2 GLY 30 -1.789 15.410 -2.080 211 HA3 GLY 30 HA3 GLY 30 -2.750 16.877 -1.924 212 H LYS 31 H LYS 31 -4.255 14.899 0.084 213 HA LYS 31 HA LYS 31 -2.665 15.753 2.403 214 HB2 LYS 31 HB2 LYS 31 -5.575 14.942 2.210 215 HB3 LYS 31 HB3 LYS 31 -4.761 15.447 3.684 216 HG2 LYS 31 HG2 LYS 31 -5.087 17.170 1.238 217 HG3 LYS 31 HG3 LYS 31 -6.132 17.224 2.660 218 HD2 LYS 31 HD2 LYS 31 -4.303 17.916 4.049 219 HD3 LYS 31 HD3 LYS 31 -3.152 17.674 2.735 220 HE2 LYS 31 HE2 LYS 31 -4.094 19.490 1.489 221 HE3 LYS 31 HE3 LYS 31 -5.421 19.653 2.637 222 HZ1 LYS 31 HZ1 LYS 31 -3.595 21.312 2.889 223 HZ2 LYS 31 HZ2 LYS 31 -2.572 20.051 3.374 224 HZ3 LYS 31 HZ3 LYS 31 -3.945 20.433 4.298 225 H VAL 32 H VAL 32 -2.581 14.261 4.237 226 HA VAL 32 HA VAL 32 -1.982 11.581 3.287 227 HB VAL 32 HB VAL 32 -1.642 12.731 6.067 228 HG11 VAL 32 HG11 VAL 32 -0.468 10.274 4.766 229 HG12 VAL 32 HG12 VAL 32 -1.688 10.301 6.043 230 HG13 VAL 32 HG13 VAL 32 -0.054 10.882 6.368 231 HG21 VAL 32 HG21 VAL 32 0.713 13.041 5.464 232 HG22 VAL 32 HG22 VAL 32 -0.347 14.002 4.430 233 HG23 VAL 32 HG23 VAL 32 0.362 12.507 3.821 234 H HIS 33 H HIS 33 -3.442 10.022 3.336 235 HA HIS 33 HA HIS 33 -5.839 10.296 4.962 236 HB2 HIS 33 HB2 HIS 33 -6.034 9.590 2.613 237 HB3 HIS 33 HB3 HIS 33 -5.029 8.187 2.945 238 HD1 HIS 33 HD1 HIS 33 -8.376 9.610 4.126 239 HD2 HIS 33 HD2 HIS 33 -6.452 5.970 3.490 240 HE1 HIS 33 HE1 HIS 33 -10.111 7.834 4.547 241 HE2 HIS 33 HE2 HIS 33 -8.963 5.646 4.029 242 H TYR 34 H TYR 34 -3.025 8.201 4.665 243 HA TYR 34 HA TYR 34 -3.245 7.495 7.462 244 HB2 TYR 34 HB2 TYR 34 -3.584 5.464 5.279 245 HB3 TYR 34 HB3 TYR 34 -2.761 5.008 6.762 246 HD1 TYR 34 HD2 TYR 34 -4.162 5.922 8.951 247 HD2 TYR 34 HD1 TYR 34 -5.791 4.835 5.174 248 HE1 TYR 34 HE2 TYR 34 -6.329 5.470 10.021 249 HE2 TYR 34 HE1 TYR 34 -7.958 4.373 6.236 250 HH TYR 34 HH TYR 34 -8.703 5.368 9.401 251 H GLU 35 H GLU 35 -1.273 7.022 8.365 252 HA GLU 35 HA GLU 35 1.011 6.512 6.632 253 HB2 GLU 35 HB2 GLU 35 2.364 8.265 7.759 254 HB3 GLU 35 HB3 GLU 35 1.047 8.931 6.802 255 HG2 GLU 35 HG2 GLU 35 -0.238 9.392 8.754 256 HG3 GLU 35 HG3 GLU 35 0.887 8.497 9.774 257 H ASP 36 H ASP 36 2.518 5.208 7.582 258 HA ASP 36 HA ASP 36 2.905 5.092 10.404 259 HB2 ASP 36 HB2 ASP 36 0.766 3.690 9.957 260 HB3 ASP 36 HB3 ASP 36 1.866 2.517 9.239 261 H ALA 37 H ALA 37 4.788 3.932 10.937 262 HA ALA 37 HA ALA 37 6.269 2.719 8.728 263 HB1 ALA 37 HB1 ALA 37 8.244 4.082 9.172 264 HB2 ALA 37 HB2 ALA 37 7.347 4.993 10.390 265 HB3 ALA 37 HB3 ALA 37 6.875 5.086 8.693 266 H ASP 38 H ASP 38 7.498 1.028 9.359 267 HA ASP 38 HA ASP 38 8.230 0.788 12.187 268 HB2 ASP 38 HB2 ASP 38 6.079 -0.569 11.390 269 HB3 ASP 38 HB3 ASP 38 7.301 -1.688 10.796 270 H VAL 39 H VAL 39 9.711 -1.329 12.336 271 HA VAL 39 HA VAL 39 11.595 -1.203 10.090 272 HB VAL 39 HB VAL 39 13.430 -1.269 11.774 273 HG11 VAL 39 HG11 VAL 39 13.340 1.111 12.338 274 HG12 VAL 39 HG12 VAL 39 11.630 1.139 11.904 275 HG13 VAL 39 HG13 VAL 39 12.848 0.813 10.671 276 HG21 VAL 39 HG21 VAL 39 12.943 -0.559 14.078 277 HG22 VAL 39 HG22 VAL 39 12.205 -2.111 13.685 278 HG23 VAL 39 HG23 VAL 39 11.218 -0.651 13.720 279 H GLY 40 H GLY 40 13.234 -2.988 10.210 280 HA2 GLY 40 HA2 GLY 40 13.930 -5.141 10.683 281 HA3 GLY 40 HA3 GLY 40 12.650 -5.256 11.880 282 H LYS 41 H LYS 41 13.748 -6.563 9.123 283 HA LYS 41 HA LYS 41 11.050 -7.355 8.261 284 HB2 LYS 41 HB2 LYS 41 13.654 -7.277 6.737 285 HB3 LYS 41 HB3 LYS 41 12.231 -8.127 6.147 286 HG2 LYS 41 HG2 LYS 41 10.999 -6.128 5.938 287 HG3 LYS 41 HG3 LYS 41 12.178 -5.216 6.880 288 HD2 LYS 41 HD2 LYS 41 12.380 -4.692 4.512 289 HD3 LYS 41 HD3 LYS 41 13.827 -5.514 5.091 290 HE2 LYS 41 HE2 LYS 41 13.034 -7.609 4.133 291 HE3 LYS 41 HE3 LYS 41 11.560 -6.812 3.584 292 HZ1 LYS 41 HZ1 LYS 41 12.864 -5.407 2.143 293 HZ2 LYS 41 HZ2 LYS 41 13.225 -7.035 1.818 294 HZ3 LYS 41 HZ3 LYS 41 14.309 -6.087 2.718 295 H ASN 42 H ASN 42 10.772 -8.902 9.803 296 HA ASN 42 HA ASN 42 12.506 -11.273 9.596 297 HB2 ASN 42 HB2 ASN 42 11.265 -10.110 12.103 298 HB3 ASN 42 HB3 ASN 42 12.058 -11.678 12.023 299 HD21 ASN 42 HD21 ASN 42 12.479 -8.266 12.202 300 HD22 ASN 42 HD22 ASN 42 14.202 -8.279 12.369 301 HA PRO 43 HA PRO 43 8.833 -13.619 8.843 302 HB2 PRO 43 HB2 PRO 43 9.355 -15.860 10.375 303 HB3 PRO 43 HB3 PRO 43 9.986 -15.581 8.749 304 HG2 PRO 43 HG2 PRO 43 11.305 -15.155 11.394 305 HG3 PRO 43 HG3 PRO 43 11.988 -15.799 9.890 306 HD2 PRO 43 HD2 PRO 43 12.459 -13.277 10.676 307 HD3 PRO 43 HD3 PRO 43 12.259 -13.694 8.961 308 H ALA 44 H ALA 44 9.887 -13.062 12.134 309 HA ALA 44 HA ALA 44 7.477 -13.853 13.420 310 HB1 ALA 44 HB1 ALA 44 9.612 -13.703 14.609 311 HB2 ALA 44 HB2 ALA 44 8.375 -12.708 15.375 312 HB3 ALA 44 HB3 ALA 44 9.619 -11.955 14.378 313 H ALA 45 H ALA 45 8.465 -10.998 11.739 314 HA ALA 45 HA ALA 45 6.545 -9.252 12.996 315 HB1 ALA 45 HB1 ALA 45 7.318 -7.589 11.376 316 HB2 ALA 45 HB2 ALA 45 8.258 -8.830 10.548 317 HB3 ALA 45 HB3 ALA 45 8.673 -8.366 12.198 318 H ALA 46 H ALA 46 6.116 -11.746 10.988 319 HA ALA 46 HA ALA 46 4.303 -10.552 9.102 320 HB1 ALA 46 HB1 ALA 46 3.879 -12.826 8.361 321 HB2 ALA 46 HB2 ALA 46 4.754 -13.461 9.755 322 HB3 ALA 46 HB3 ALA 46 5.613 -12.541 8.518 323 H THR 47 H THR 47 4.071 -12.246 12.179 324 HA THR 47 HA THR 47 1.169 -12.303 12.018 325 HB THR 47 HB THR 47 2.915 -13.164 14.327 326 HG1 THR 47 HG1 THR 47 3.524 -14.483 12.675 327 HG21 THR 47 HG21 THR 47 0.979 -14.539 14.934 328 HG22 THR 47 HG22 THR 47 0.086 -13.888 13.559 329 HG23 THR 47 HG23 THR 47 0.555 -12.827 14.887 330 H MET 48 H MET 48 3.723 -10.552 13.659 331 HA MET 48 HA MET 48 1.683 -8.964 15.052 332 HB2 MET 48 HB2 MET 48 3.502 -8.505 16.756 333 HB3 MET 48 HB3 MET 48 2.845 -10.134 16.742 334 HG2 MET 48 HG2 MET 48 4.788 -10.930 15.520 335 HG3 MET 48 HG3 MET 48 5.436 -9.293 15.459 336 HE1 MET 48 HE1 MET 48 6.397 -7.992 17.490 337 HE2 MET 48 HE2 MET 48 6.320 -8.551 19.161 338 HE3 MET 48 HE3 MET 48 4.839 -8.120 18.305 339 H ARG 49 H ARG 49 1.628 -7.652 13.145 340 HA ARG 49 HA ARG 49 3.717 -5.591 13.294 341 HB2 ARG 49 HB2 ARG 49 3.378 -5.237 10.804 342 HB3 ARG 49 HB3 ARG 49 4.253 -6.686 11.273 343 HG2 ARG 49 HG2 ARG 49 2.158 -7.982 10.999 344 HG3 ARG 49 HG3 ARG 49 1.379 -6.518 10.398 345 HD2 ARG 49 HD2 ARG 49 2.829 -6.423 8.512 346 HD3 ARG 49 HD3 ARG 49 3.876 -7.675 9.179 347 HE ARG 49 HE ARG 49 1.111 -8.426 8.634 348 HH11 ARG 49 HH11 ARG 49 4.458 -8.474 7.603 349 HH12 ARG 49 HH12 ARG 49 4.236 -9.798 6.498 350 HH21 ARG 49 HH21 ARG 49 0.811 -10.160 7.196 351 HH22 ARG 49 HH22 ARG 49 2.150 -10.762 6.266 352 H ASN 50 H ASN 50 0.390 -6.449 12.925 353 HA ASN 50 HA ASN 50 -1.502 -5.316 13.440 354 HB2 ASN 50 HB2 ASN 50 0.324 -2.998 14.101 355 HB3 ASN 50 HB3 ASN 50 -1.404 -3.048 14.430 356 HD21 ASN 50 HD21 ASN 50 0.795 -2.736 16.280 357 HD22 ASN 50 HD22 ASN 50 0.687 -4.050 17.401 358 H VAL 51 H VAL 51 0.796 -3.763 11.340 359 HA VAL 51 HA VAL 51 -0.665 -1.867 10.013 360 HB VAL 51 HB VAL 51 1.299 -3.774 8.722 361 HG11 VAL 51 HG11 VAL 51 1.736 -1.926 7.172 362 HG12 VAL 51 HG12 VAL 51 0.465 -0.980 7.948 363 HG13 VAL 51 HG13 VAL 51 0.058 -2.464 7.088 364 HG21 VAL 51 HG21 VAL 51 2.989 -2.076 9.267 365 HG22 VAL 51 HG22 VAL 51 2.253 -2.772 10.711 366 HG23 VAL 51 HG23 VAL 51 1.769 -1.167 10.159 367 H ALA 52 H ALA 52 -1.009 -5.312 9.792 368 HA ALA 52 HA ALA 52 -2.215 -5.699 7.353 369 HB1 ALA 52 HB1 ALA 52 -1.610 -7.499 8.899 370 HB2 ALA 52 HB2 ALA 52 -3.261 -7.665 8.306 371 HB3 ALA 52 HB3 ALA 52 -2.967 -7.059 9.936 372 H GLY 53 H GLY 53 -3.596 -4.225 10.216 373 HA2 GLY 53 HA2 GLY 53 -6.319 -4.368 9.339 374 HA3 GLY 53 HA3 GLY 53 -5.690 -3.353 10.628 375 H GLU 54 H GLU 54 -3.727 -2.022 9.004 376 HA GLU 54 HA GLU 54 -5.356 0.076 7.968 377 HB2 GLU 54 HB2 GLU 54 -2.384 -0.419 7.980 378 HB3 GLU 54 HB3 GLU 54 -3.087 0.970 7.165 379 HG2 GLU 54 HG2 GLU 54 -2.273 1.536 9.392 380 HG3 GLU 54 HG3 GLU 54 -4.013 1.774 9.249 381 H ILE 55 H ILE 55 -3.277 -2.383 6.475 382 HA ILE 55 HA ILE 55 -3.700 -1.457 3.828 383 HB ILE 55 HB ILE 55 -2.810 -3.670 3.131 384 HG12 ILE 55 HG12 ILE 55 -2.560 -4.164 6.100 385 HG13 ILE 55 HG13 ILE 55 -3.679 -4.991 5.022 386 HG21 ILE 55 HG21 ILE 55 -1.238 -2.157 5.205 387 HG22 ILE 55 HG22 ILE 55 -1.316 -1.804 3.478 388 HG23 ILE 55 HG23 ILE 55 -0.547 -3.288 4.043 389 HD11 ILE 55 HD11 ILE 55 -1.816 -5.958 3.803 390 HD12 ILE 55 HD12 ILE 55 -1.718 -6.348 5.521 391 HD13 ILE 55 HD13 ILE 55 -0.680 -5.096 4.840 392 H ALA 56 H ALA 56 -5.371 -3.728 5.899 393 HA ALA 56 HA ALA 56 -7.092 -4.823 3.944 394 HB1 ALA 56 HB1 ALA 56 -8.502 -5.496 5.812 395 HB2 ALA 56 HB2 ALA 56 -7.610 -4.423 6.889 396 HB3 ALA 56 HB3 ALA 56 -6.804 -5.816 6.166 397 H ALA 57 H ALA 57 -7.291 -1.950 5.987 398 HA ALA 57 HA ALA 57 -9.914 -1.179 5.314 399 HB1 ALA 57 HB1 ALA 57 -8.701 -0.231 7.213 400 HB2 ALA 57 HB2 ALA 57 -9.289 1.033 6.132 401 HB3 ALA 57 HB3 ALA 57 -7.587 0.571 6.107 402 H ALA 58 H ALA 58 -6.824 -0.702 3.737 403 HA ALA 58 HA ALA 58 -7.670 1.175 1.801 404 HB1 ALA 58 HB1 ALA 58 -5.657 0.532 0.575 405 HB2 ALA 58 HB2 ALA 58 -5.453 -0.866 1.630 406 HB3 ALA 58 HB3 ALA 58 -5.308 0.764 2.288 407 H LEU 59 H LEU 59 -7.718 -2.345 1.939 408 HA LEU 59 HA LEU 59 -8.476 -2.827 -0.735 409 HB2 LEU 59 HB2 LEU 59 -7.607 -4.566 0.779 410 HB3 LEU 59 HB3 LEU 59 -9.067 -4.455 1.742 411 HG LEU 59 HG LEU 59 -10.384 -5.245 -0.200 412 HD11 LEU 59 HD11 LEU 59 -8.913 -4.476 -1.987 413 HD12 LEU 59 HD12 LEU 59 -9.216 -6.208 -2.122 414 HD13 LEU 59 HD13 LEU 59 -7.679 -5.631 -1.479 415 HD21 LEU 59 HD21 LEU 59 -8.102 -7.035 0.622 416 HD22 LEU 59 HD22 LEU 59 -9.614 -7.567 -0.111 417 HD23 LEU 59 HD23 LEU 59 -9.624 -6.822 1.489 418 H TYR 60 H TYR 60 -10.378 -2.337 2.223 419 HA TYR 60 HA TYR 60 -12.916 -2.673 1.023 420 HB2 TYR 60 HB2 TYR 60 -12.088 -1.128 3.489 421 HB3 TYR 60 HB3 TYR 60 -13.764 -1.388 3.013 422 HD1 TYR 60 HD1 TYR 60 -14.404 -3.920 2.603 423 HD2 TYR 60 HD2 TYR 60 -11.127 -2.621 4.982 424 HE1 TYR 60 HE1 TYR 60 -14.412 -6.076 3.781 425 HE2 TYR 60 HE2 TYR 60 -11.124 -4.779 6.166 426 HH TYR 60 HH TYR 60 -12.632 -6.635 6.646 427 H ALA 61 H ALA 61 -10.767 0.085 1.340 428 HA ALA 61 HA ALA 61 -12.552 2.062 0.399 429 HB1 ALA 61 HB1 ALA 61 -9.543 1.975 0.183 430 HB2 ALA 61 HB2 ALA 61 -10.463 2.609 1.548 431 HB3 ALA 61 HB3 ALA 61 -10.558 3.402 -0.025 432 H VAL 62 H VAL 62 -10.352 -0.160 -1.242 433 HA VAL 62 HA VAL 62 -10.642 0.810 -3.867 434 HB VAL 62 HB VAL 62 -10.173 -2.036 -2.938 435 HG11 VAL 62 HG11 VAL 62 -9.745 -0.798 -5.658 436 HG12 VAL 62 HG12 VAL 62 -10.963 -2.003 -5.240 437 HG13 VAL 62 HG13 VAL 62 -9.251 -2.423 -5.180 438 HG21 VAL 62 HG21 VAL 62 -7.813 -1.559 -3.401 439 HG22 VAL 62 HG22 VAL 62 -8.464 -0.498 -2.152 440 HG23 VAL 62 HG23 VAL 62 -8.234 0.110 -3.790 441 H LYS 63 H LYS 63 -12.564 -1.436 -1.962 442 HA LYS 63 HA LYS 63 -14.323 -2.274 -3.997 443 HB2 LYS 63 HB2 LYS 63 -14.086 -3.440 -1.844 444 HB3 LYS 63 HB3 LYS 63 -14.799 -2.062 -1.016 445 HG2 LYS 63 HG2 LYS 63 -16.894 -2.419 -2.206 446 HG3 LYS 63 HG3 LYS 63 -16.181 -3.789 -3.060 447 HD2 LYS 63 HD2 LYS 63 -15.817 -4.908 -0.899 448 HD3 LYS 63 HD3 LYS 63 -16.597 -3.553 -0.082 449 HE2 LYS 63 HE2 LYS 63 -18.659 -3.989 -1.308 450 HE3 LYS 63 HE3 LYS 63 -17.882 -5.322 -2.161 451 HZ1 LYS 63 HZ1 LYS 63 -18.218 -5.217 0.787 452 HZ2 LYS 63 HZ2 LYS 63 -17.691 -6.538 -0.142 453 HZ3 LYS 63 HZ3 LYS 63 -19.296 -6.000 -0.263 454 H LYS 64 H LYS 64 -14.445 0.412 -1.709 455 HA LYS 64 HA LYS 64 -16.995 1.363 -2.578 456 HB2 LYS 64 HB2 LYS 64 -16.043 1.870 -0.346 457 HB3 LYS 64 HB3 LYS 64 -14.801 2.847 -1.118 458 HG2 LYS 64 HG2 LYS 64 -16.578 4.309 -2.026 459 HG3 LYS 64 HG3 LYS 64 -17.768 3.363 -1.130 460 HD2 LYS 64 HD2 LYS 64 -16.581 3.941 0.966 461 HD3 LYS 64 HD3 LYS 64 -15.495 4.973 0.033 462 HE2 LYS 64 HE2 LYS 64 -17.227 6.332 1.015 463 HE3 LYS 64 HE3 LYS 64 -17.451 6.277 -0.733 464 HZ1 LYS 64 HZ1 LYS 64 -18.962 4.720 1.294 465 HZ2 LYS 64 HZ2 LYS 64 -19.132 4.527 -0.378 466 HZ3 LYS 64 HZ3 LYS 64 -19.558 5.995 0.350 467 H ALA 65 H ALA 65 -13.680 1.946 -3.493 468 HA ALA 65 HA ALA 65 -13.880 4.341 -4.873 469 HB1 ALA 65 HB1 ALA 65 -12.093 2.002 -5.528 470 HB2 ALA 65 HB2 ALA 65 -11.761 3.252 -4.330 471 HB3 ALA 65 HB3 ALA 65 -11.851 3.671 -6.041 472 H SER 66 H SER 66 -14.884 1.152 -5.853 473 HA SER 66 HA SER 66 -15.095 1.458 -8.605 474 HB2 SER 66 HB2 SER 66 -15.483 -0.660 -7.330 475 HB3 SER 66 HB3 SER 66 -17.043 -0.020 -6.817 476 HG SER 66 HG SER 66 -17.798 -0.755 -8.623 477 H GLN 67 H GLN 67 -17.199 2.609 -6.029 478 HA GLN 67 HA GLN 67 -19.382 3.334 -7.690 479 HB2 GLN 67 HB2 GLN 67 -18.627 4.284 -4.924 480 HB3 GLN 67 HB3 GLN 67 -20.182 4.517 -5.695 481 HG2 GLN 67 HG2 GLN 67 -20.573 2.124 -5.706 482 HG3 GLN 67 HG3 GLN 67 -18.978 1.849 -5.006 483 HE21 GLN 67 HE21 GLN 67 -21.618 1.128 -3.984 484 HE22 GLN 67 HE22 GLN 67 -21.737 1.868 -2.427 485 H LEU 68 H LEU 68 -16.452 4.912 -6.659 486 HA LEU 68 HA LEU 68 -17.375 7.528 -7.540 487 HB2 LEU 68 HB2 LEU 68 -14.815 6.577 -6.266 488 HB3 LEU 68 HB3 LEU 68 -15.008 8.209 -6.868 489 HG LEU 68 HG LEU 68 -16.962 8.449 -5.275 490 HD11 LEU 68 HD11 LEU 68 -17.033 6.929 -3.360 491 HD12 LEU 68 HD12 LEU 68 -15.820 5.906 -4.131 492 HD13 LEU 68 HD13 LEU 68 -17.409 6.096 -4.868 493 HD21 LEU 68 HD21 LEU 68 -15.521 8.858 -3.343 494 HD22 LEU 68 HD22 LEU 68 -14.787 9.444 -4.835 495 HD23 LEU 68 HD23 LEU 68 -14.230 7.936 -4.111 496 H GLY 69 H GLY 69 -15.713 4.839 -8.791 497 HA2 GLY 69 HA2 GLY 69 -14.906 4.455 -10.917 498 HA3 GLY 69 HA3 GLY 69 -15.399 6.087 -11.350 499 H VAL 70 H VAL 70 -13.126 4.897 -8.899 500 HA VAL 70 HA VAL 70 -10.962 6.295 -10.318 501 HB VAL 70 HB VAL 70 -9.983 6.963 -8.143 502 HG11 VAL 70 HG11 VAL 70 -11.299 8.572 -9.398 503 HG12 VAL 70 HG12 VAL 70 -11.530 8.804 -7.663 504 HG13 VAL 70 HG13 VAL 70 -12.773 7.999 -8.619 505 HG21 VAL 70 HG21 VAL 70 -11.033 5.276 -6.727 506 HG22 VAL 70 HG22 VAL 70 -12.608 6.028 -6.986 507 HG23 VAL 70 HG23 VAL 70 -11.348 6.899 -6.113 508 H LYS 71 H LYS 71 -8.769 5.570 -9.423 509 HA LYS 71 HA LYS 71 -8.840 2.724 -8.698 510 HB2 LYS 71 HB2 LYS 71 -6.936 2.337 -10.245 511 HB3 LYS 71 HB3 LYS 71 -8.417 2.793 -11.079 512 HG2 LYS 71 HG2 LYS 71 -7.609 4.906 -11.616 513 HG3 LYS 71 HG3 LYS 71 -6.357 4.847 -10.373 514 HD2 LYS 71 HD2 LYS 71 -5.492 4.585 -12.686 515 HD3 LYS 71 HD3 LYS 71 -5.104 3.233 -11.624 516 HE2 LYS 71 HE2 LYS 71 -6.974 1.965 -12.573 517 HE3 LYS 71 HE3 LYS 71 -7.337 3.313 -13.648 518 HZ1 LYS 71 HZ1 LYS 71 -5.975 1.430 -14.593 519 HZ2 LYS 71 HZ2 LYS 71 -4.687 1.989 -13.640 520 HZ3 LYS 71 HZ3 LYS 71 -5.360 2.992 -14.829 521 H ILE 72 H ILE 72 -6.551 1.974 -8.057 522 HA ILE 72 HA ILE 72 -4.993 4.184 -6.884 523 HB ILE 72 HB ILE 72 -4.552 3.026 -4.863 524 HG12 ILE 72 HG12 ILE 72 -6.195 0.681 -5.813 525 HG13 ILE 72 HG13 ILE 72 -4.439 0.739 -5.943 526 HG21 ILE 72 HG21 ILE 72 -7.489 2.710 -5.456 527 HG22 ILE 72 HG22 ILE 72 -6.695 4.191 -4.921 528 HG23 ILE 72 HG23 ILE 72 -6.755 2.789 -3.855 529 HD11 ILE 72 HD11 ILE 72 -4.282 0.975 -3.505 530 HD12 ILE 72 HD12 ILE 72 -5.102 -0.512 -3.987 531 HD13 ILE 72 HD13 ILE 72 -6.040 0.860 -3.396 532 H ARG 73 H ARG 73 -2.735 3.770 -6.644 533 HA ARG 73 HA ARG 73 -1.721 1.866 -8.629 534 HB2 ARG 73 HB2 ARG 73 -0.329 4.122 -7.171 535 HB3 ARG 73 HB3 ARG 73 0.391 3.129 -8.429 536 HG2 ARG 73 HG2 ARG 73 -1.087 4.016 -10.075 537 HG3 ARG 73 HG3 ARG 73 -2.031 4.860 -8.845 538 HD2 ARG 73 HD2 ARG 73 -0.529 6.392 -10.006 539 HD3 ARG 73 HD3 ARG 73 -0.105 6.250 -8.300 540 HE ARG 73 HE ARG 73 1.350 4.807 -10.439 541 HH11 ARG 73 HH11 ARG 73 1.290 6.618 -7.432 542 HH12 ARG 73 HH12 ARG 73 3.017 6.706 -7.309 543 HH21 ARG 73 HH21 ARG 73 3.628 4.896 -10.273 544 HH22 ARG 73 HH22 ARG 73 4.358 5.712 -8.919 545 H ILE 74 H ILE 74 -1.423 -0.104 -7.727 546 HA ILE 74 HA ILE 74 -0.530 -0.303 -4.949 547 HB ILE 74 HB ILE 74 -1.346 -2.552 -6.801 548 HG12 ILE 74 HG12 ILE 74 -3.051 -1.032 -4.812 549 HG13 ILE 74 HG13 ILE 74 -3.182 -0.913 -6.564 550 HG21 ILE 74 HG21 ILE 74 -1.733 -3.780 -4.715 551 HG22 ILE 74 HG22 ILE 74 -1.180 -2.384 -3.791 552 HG23 ILE 74 HG23 ILE 74 -0.058 -3.243 -4.846 553 HD11 ILE 74 HD11 ILE 74 -3.674 -3.394 -4.933 554 HD12 ILE 74 HD12 ILE 74 -3.836 -3.250 -6.683 555 HD13 ILE 74 HD13 ILE 74 -4.912 -2.343 -5.621 556 H LEU 75 H LEU 75 1.399 -1.203 -4.346 557 HA LEU 75 HA LEU 75 3.580 -1.371 -6.099 558 HB2 LEU 75 HB2 LEU 75 4.807 -2.350 -4.279 559 HB3 LEU 75 HB3 LEU 75 3.779 -1.081 -3.645 560 HG LEU 75 HG LEU 75 2.946 -3.972 -3.533 561 HD11 LEU 75 HD11 LEU 75 4.562 -2.458 -1.488 562 HD12 LEU 75 HD12 LEU 75 5.125 -3.817 -2.460 563 HD13 LEU 75 HD13 LEU 75 3.851 -4.055 -1.263 564 HD21 LEU 75 HD21 LEU 75 2.220 -1.569 -1.855 565 HD22 LEU 75 HD22 LEU 75 1.577 -3.202 -1.672 566 HD23 LEU 75 HD23 LEU 75 1.224 -2.275 -3.129 567 H HIS 76 H HIS 76 4.937 -3.615 -5.944 568 HA HIS 76 HA HIS 76 3.293 -5.441 -7.480 569 HB2 HIS 76 HB2 HIS 76 6.170 -4.908 -7.248 570 HB3 HIS 76 HB3 HIS 76 5.750 -6.607 -7.451 571 HD1 HIS 76 HD1 HIS 76 6.371 -3.628 -9.358 572 HD2 HIS 76 HD2 HIS 76 3.942 -6.974 -9.784 573 HE1 HIS 76 HE1 HIS 76 5.728 -3.699 -11.795 574 HE2 HIS 76 HE2 HIS 76 4.470 -5.871 -12.057 575 H ASP 77 H ASP 77 4.425 -7.858 -7.112 576 HA ASP 77 HA ASP 77 4.016 -9.763 -5.973 577 HB2 ASP 77 HB2 ASP 77 5.692 -8.550 -4.366 578 HB3 ASP 77 HB3 ASP 77 4.274 -8.317 -3.349 579 H TYR 78 H TYR 78 2.672 -10.030 -3.395 580 HA TYR 78 HA TYR 78 0.576 -10.189 -2.527 581 HB2 TYR 78 HB2 TYR 78 0.731 -7.672 -2.606 582 HB3 TYR 78 HB3 TYR 78 -0.098 -7.727 -4.154 583 HD1 TYR 78 HD1 TYR 78 -0.563 -9.053 -0.686 584 HD2 TYR 78 HD2 TYR 78 -2.357 -7.322 -4.131 585 HE1 TYR 78 HE1 TYR 78 -2.725 -8.987 0.481 586 HE2 TYR 78 HE2 TYR 78 -4.526 -7.248 -2.974 587 HH TYR 78 HH TYR 78 -4.843 -7.740 0.369 588 H ALA 79 H ALA 79 1.349 -10.870 -5.518 589 HA ALA 79 HA ALA 79 -1.138 -11.050 -6.891 590 HB1 ALA 79 HB1 ALA 79 0.109 -12.286 -8.576 591 HB2 ALA 79 HB2 ALA 79 1.474 -12.441 -7.470 592 HB3 ALA 79 HB3 ALA 79 0.998 -10.852 -8.067 593 H GLY 80 H GLY 80 0.268 -12.905 -4.454 594 HA2 GLY 80 HA2 GLY 80 -0.385 -15.524 -5.060 595 HA3 GLY 80 HA3 GLY 80 -0.349 -14.862 -3.433 596 H ILE 81 H ILE 81 -2.465 -13.074 -3.537 597 HA ILE 81 HA ILE 81 -4.670 -14.887 -3.344 598 HB ILE 81 HB ILE 81 -5.998 -12.828 -2.762 599 HG12 ILE 81 HG12 ILE 81 -4.416 -10.885 -2.037 600 HG13 ILE 81 HG13 ILE 81 -3.318 -11.551 -3.236 601 HG21 ILE 81 HG21 ILE 81 -4.936 -12.581 -0.562 602 HG22 ILE 81 HG22 ILE 81 -3.503 -13.406 -1.176 603 HG23 ILE 81 HG23 ILE 81 -5.038 -14.267 -1.069 604 HD11 ILE 81 HD11 ILE 81 -6.111 -10.565 -3.758 605 HD12 ILE 81 HD12 ILE 81 -5.009 -11.228 -4.965 606 HD13 ILE 81 HD13 ILE 81 -4.615 -9.717 -4.144 607 H ALA 82 H ALA 82 -3.405 -12.966 -5.851 608 HA ALA 82 HA ALA 82 -5.956 -12.559 -7.174 609 HB1 ALA 82 HB1 ALA 82 -3.173 -11.872 -8.103 610 HB2 ALA 82 HB2 ALA 82 -4.256 -10.794 -7.223 611 HB3 ALA 82 HB3 ALA 82 -4.683 -11.346 -8.843 612 H PHE 83 H PHE 83 -4.056 -15.170 -6.857 613 HA PHE 83 HA PHE 83 -3.701 -16.001 -9.548 614 HB2 PHE 83 HB2 PHE 83 -3.541 -17.444 -6.924 615 HB3 PHE 83 HB3 PHE 83 -3.411 -18.313 -8.449 616 HD1 PHE 83 HD1 PHE 83 -1.870 -16.399 -10.075 617 HD2 PHE 83 HD2 PHE 83 -1.415 -17.563 -6.008 618 HE1 PHE 83 HE1 PHE 83 0.530 -15.870 -10.196 619 HE2 PHE 83 HE2 PHE 83 0.984 -17.030 -6.121 620 HZ PHE 83 HZ PHE 83 1.961 -16.183 -8.216 621 H TRP 84 H TRP 84 -6.467 -15.916 -7.587 622 HA TRP 84 HA TRP 84 -7.843 -18.127 -8.767 623 HB2 TRP 84 HB2 TRP 84 -9.080 -15.682 -7.487 624 HB3 TRP 84 HB3 TRP 84 -9.828 -17.260 -7.706 625 HD1 TRP 84 HD1 TRP 84 -7.578 -19.118 -6.517 626 HE1 TRP 84 HE1 TRP 84 -7.055 -19.073 -3.999 627 HE3 TRP 84 HE3 TRP 84 -9.510 -14.526 -5.384 628 HZ2 TRP 84 HZ2 TRP 84 -7.428 -17.313 -1.814 629 HZ3 TRP 84 HZ3 TRP 84 -9.392 -13.739 -3.060 630 HH2 TRP 84 HH2 TRP 84 -8.373 -15.105 -1.310 631 H ALA 85 H ALA 85 -7.545 -14.704 -9.431 632 HA ALA 85 HA ALA 85 -9.552 -14.766 -11.530 633 HB1 ALA 85 HB1 ALA 85 -7.789 -12.509 -10.584 634 HB2 ALA 85 HB2 ALA 85 -9.415 -12.857 -9.997 635 HB3 ALA 85 HB3 ALA 85 -9.168 -12.371 -11.675 636 H THR 86 H THR 86 -6.171 -15.148 -11.234 637 HA THR 86 HA THR 86 -5.738 -14.471 -14.057 638 HB THR 86 HB THR 86 -3.287 -14.647 -13.434 639 HG1 THR 86 HG1 THR 86 -4.072 -14.288 -10.756 640 HG21 THR 86 HG21 THR 86 -4.406 -12.489 -13.676 641 HG22 THR 86 HG22 THR 86 -3.246 -12.439 -12.349 642 HG23 THR 86 HG23 THR 86 -4.970 -12.582 -12.008 643 H GLY 87 H GLY 87 -5.301 -17.057 -11.691 644 HA2 GLY 87 HA2 GLY 87 -5.691 -19.338 -12.395 645 HA3 GLY 87 HA3 GLY 87 -4.968 -18.927 -13.943 646 H GLU 88 H GLU 88 -4.366 -19.796 -10.626 647 HA GLU 88 HA GLU 88 -1.543 -19.549 -10.692 648 HB2 GLU 88 HB2 GLU 88 -1.556 -20.971 -8.701 649 HB3 GLU 88 HB3 GLU 88 -2.778 -19.716 -8.587 650 HG2 GLU 88 HG2 GLU 88 -4.469 -21.396 -9.308 651 HG3 GLU 88 HG3 GLU 88 -3.209 -22.626 -9.204 652 H TRP 89 H TRP 89 -3.753 -21.848 -11.929 653 HA TRP 89 HA TRP 89 -1.538 -23.184 -13.276 654 HB2 TRP 89 HB2 TRP 89 -2.329 -24.619 -11.329 655 HB3 TRP 89 HB3 TRP 89 -3.885 -24.731 -12.145 656 HD1 TRP 89 HD1 TRP 89 -0.175 -25.616 -12.817 657 HE1 TRP 89 HE1 TRP 89 -0.104 -27.695 -14.334 658 HE3 TRP 89 HE3 TRP 89 -5.193 -26.210 -13.601 659 HZ2 TRP 89 HZ2 TRP 89 -1.942 -29.363 -15.685 660 HZ3 TRP 89 HZ3 TRP 89 -5.954 -28.076 -15.016 661 HH2 TRP 89 HH2 TRP 89 -4.360 -29.618 -16.035 662 H LYS 90 H LYS 90 -2.162 -23.982 -15.368 663 HA LYS 90 HA LYS 90 -3.963 -22.263 -16.668 664 HB2 LYS 90 HB2 LYS 90 -3.577 -23.705 -18.657 665 HB3 LYS 90 HB3 LYS 90 -2.103 -23.154 -17.877 666 HG2 LYS 90 HG2 LYS 90 -1.969 -25.370 -16.735 667 HG3 LYS 90 HG3 LYS 90 -3.336 -25.895 -17.723 668 HD2 LYS 90 HD2 LYS 90 -0.654 -24.948 -18.726 669 HD3 LYS 90 HD3 LYS 90 -1.245 -26.609 -18.724 670 HE2 LYS 90 HE2 LYS 90 -2.969 -26.056 -20.300 671 HE3 LYS 90 HE3 LYS 90 -2.571 -24.342 -20.201 672 HZ1 LYS 90 HZ1 LYS 90 -0.412 -24.825 -21.164 673 HZ2 LYS 90 HZ2 LYS 90 -1.654 -25.347 -22.191 674 HZ3 LYS 90 HZ3 LYS 90 -0.793 -26.473 -21.259 675 H ALA 91 H ALA 91 -6.064 -22.272 -16.490 676 HA ALA 91 HA ALA 91 -7.540 -24.571 -15.635 677 HB1 ALA 91 HB1 ALA 91 -8.525 -21.874 -16.555 678 HB2 ALA 91 HB2 ALA 91 -8.136 -22.320 -14.894 679 HB3 ALA 91 HB3 ALA 91 -9.481 -23.102 -15.723 680 H LYS 92 H LYS 92 -8.021 -26.169 -16.991 681 HA LYS 92 HA LYS 92 -8.445 -25.555 -19.825 682 HB2 LYS 92 HB2 LYS 92 -8.373 -28.060 -20.095 683 HB3 LYS 92 HB3 LYS 92 -6.882 -27.319 -19.531 684 HG2 LYS 92 HG2 LYS 92 -7.392 -28.004 -17.253 685 HG3 LYS 92 HG3 LYS 92 -8.907 -28.723 -17.802 686 HD2 LYS 92 HD2 LYS 92 -7.735 -30.341 -19.116 687 HD3 LYS 92 HD3 LYS 92 -6.192 -29.539 -18.818 688 HE2 LYS 92 HE2 LYS 92 -6.435 -31.533 -17.434 689 HE3 LYS 92 HE3 LYS 92 -6.358 -30.076 -16.446 690 HZ1 LYS 92 HZ1 LYS 92 -8.068 -31.640 -15.703 691 HZ2 LYS 92 HZ2 LYS 92 -8.867 -31.489 -17.186 692 HZ3 LYS 92 HZ3 LYS 92 -8.732 -30.144 -16.154 693 H ASN 93 H ASN 93 -10.053 -26.917 -17.008 694 HA ASN 93 HA ASN 93 -12.599 -26.107 -18.023 695 HB2 ASN 93 HB2 ASN 93 -13.691 -28.271 -18.146 696 HB3 ASN 93 HB3 ASN 93 -12.342 -28.228 -19.272 697 HD21 ASN 93 HD21 ASN 93 -13.718 -30.491 -18.104 698 HD22 ASN 93 HD22 ASN 93 -12.508 -31.425 -17.274 699 H GLU 94 H GLU 94 -10.703 -26.044 -15.686 700 HA GLU 94 HA GLU 94 -12.164 -27.228 -13.503 701 HB2 GLU 94 HB2 GLU 94 -9.784 -25.366 -13.598 702 HB3 GLU 94 HB3 GLU 94 -10.473 -25.983 -12.105 703 HG2 GLU 94 HG2 GLU 94 -8.517 -27.248 -12.705 704 HG3 GLU 94 HG3 GLU 94 -9.950 -28.265 -12.815 705 H PHE 95 H PHE 95 -12.291 -25.545 -11.504 706 HA PHE 95 HA PHE 95 -14.394 -23.727 -12.133 707 HB2 PHE 95 HB2 PHE 95 -12.809 -24.297 -9.641 708 HB3 PHE 95 HB3 PHE 95 -13.961 -22.970 -9.698 709 HD1 PHE 95 HD2 PHE 95 -13.577 -26.623 -9.787 710 HD2 PHE 95 HD1 PHE 95 -16.312 -23.365 -9.716 711 HE1 PHE 95 HE2 PHE 95 -15.408 -28.175 -9.241 712 HE2 PHE 95 HE1 PHE 95 -18.146 -24.909 -9.165 713 HZ PHE 95 HZ PHE 95 -17.696 -27.317 -8.927 714 H THR 96 H THR 96 -10.963 -23.480 -11.794 715 HA THR 96 HA THR 96 -10.492 -20.830 -11.272 716 HB THR 96 HB THR 96 -8.970 -22.396 -13.360 717 HG1 THR 96 HG1 THR 96 -8.293 -22.550 -10.645 718 HG21 THR 96 HG21 THR 96 -8.092 -20.374 -11.292 719 HG22 THR 96 HG22 THR 96 -8.256 -20.077 -13.023 720 HG23 THR 96 HG23 THR 96 -7.038 -21.210 -12.434 721 H GLN 97 H GLN 97 -11.524 -22.258 -14.351 722 HA GLN 97 HA GLN 97 -11.111 -20.001 -15.967 723 HB2 GLN 97 HB2 GLN 97 -12.579 -22.532 -16.171 724 HB3 GLN 97 HB3 GLN 97 -13.249 -21.224 -17.132 725 HG2 GLN 97 HG2 GLN 97 -10.992 -20.872 -18.113 726 HG3 GLN 97 HG3 GLN 97 -10.445 -22.301 -17.241 727 HE21 GLN 97 HE21 GLN 97 -9.932 -23.355 -19.158 728 HE22 GLN 97 HE22 GLN 97 -11.154 -24.006 -20.200 729 H ALA 98 H ALA 98 -13.764 -20.875 -13.835 730 HA ALA 98 HA ALA 98 -15.507 -18.791 -14.768 731 HB1 ALA 98 HB1 ALA 98 -15.625 -20.413 -12.228 732 HB2 ALA 98 HB2 ALA 98 -16.397 -20.834 -13.756 733 HB3 ALA 98 HB3 ALA 98 -16.914 -19.399 -12.872 734 H TYR 99 H TYR 99 -13.082 -19.156 -12.291 735 HA TYR 99 HA TYR 99 -13.725 -16.744 -10.907 736 HB2 TYR 99 HB2 TYR 99 -11.460 -18.710 -10.805 737 HB3 TYR 99 HB3 TYR 99 -11.382 -17.206 -9.907 738 HD1 TYR 99 HD1 TYR 99 -13.295 -16.698 -8.283 739 HD2 TYR 99 HD2 TYR 99 -12.600 -20.558 -9.923 740 HE1 TYR 99 HE1 TYR 99 -14.637 -17.695 -6.485 741 HE2 TYR 99 HE2 TYR 99 -13.945 -21.566 -8.128 742 HH TYR 99 HH TYR 99 -15.997 -19.815 -6.177 743 H ALA 100 H ALA 100 -11.570 -17.649 -13.505 744 HA ALA 100 HA ALA 100 -10.332 -15.041 -13.650 745 HB1 ALA 100 HB1 ALA 100 -9.292 -15.906 -15.705 746 HB2 ALA 100 HB2 ALA 100 -10.278 -17.362 -15.584 747 HB3 ALA 100 HB3 ALA 100 -9.072 -17.007 -14.346 748 H LYS 101 H LYS 101 -13.236 -16.433 -14.619 749 HA LYS 101 HA LYS 101 -13.641 -14.992 -17.058 750 HB2 LYS 101 HB2 LYS 101 -14.742 -17.157 -16.597 751 HB3 LYS 101 HB3 LYS 101 -15.645 -16.407 -15.287 752 HG2 LYS 101 HG2 LYS 101 -16.756 -14.942 -16.875 753 HG3 LYS 101 HG3 LYS 101 -15.824 -15.653 -18.195 754 HD2 LYS 101 HD2 LYS 101 -16.826 -17.845 -17.691 755 HD3 LYS 101 HD3 LYS 101 -17.789 -17.095 -16.415 756 HE2 LYS 101 HE2 LYS 101 -19.121 -17.344 -18.420 757 HE3 LYS 101 HE3 LYS 101 -18.839 -15.635 -18.099 758 HZ1 LYS 101 HZ1 LYS 101 -17.068 -15.660 -19.757 759 HZ2 LYS 101 HZ2 LYS 101 -18.548 -16.146 -20.431 760 HZ3 LYS 101 HZ3 LYS 101 -17.363 -17.302 -20.068 761 H LEU 102 H LEU 102 -14.027 -12.923 -17.176 762 HA LEU 102 HA LEU 102 -14.850 -10.850 -16.819 763 HB2 LEU 102 HB2 LEU 102 -16.888 -12.551 -15.481 764 HB3 LEU 102 HB3 LEU 102 -16.936 -10.828 -15.164 765 HG LEU 102 HG LEU 102 -18.467 -11.382 -16.954 766 HD11 LEU 102 HD11 LEU 102 -17.605 -9.894 -18.718 767 HD12 LEU 102 HD12 LEU 102 -16.023 -9.924 -17.941 768 HD13 LEU 102 HD13 LEU 102 -17.406 -9.225 -17.098 769 HD21 LEU 102 HD21 LEU 102 -17.642 -12.260 -19.103 770 HD22 LEU 102 HD22 LEU 102 -17.459 -13.414 -17.781 771 HD23 LEU 102 HD23 LEU 102 -16.060 -12.516 -18.369 772 H MET 103 H MET 103 -12.898 -12.163 -14.832 773 HA MET 103 HA MET 103 -13.227 -10.730 -12.411 774 HB2 MET 103 HB2 MET 103 -10.834 -11.168 -12.037 775 HB3 MET 103 HB3 MET 103 -11.688 -12.612 -12.551 776 HG2 MET 103 HG2 MET 103 -9.721 -12.721 -13.742 777 HG3 MET 103 HG3 MET 103 -10.840 -12.017 -14.906 778 HE1 MET 103 HE1 MET 103 -7.357 -10.340 -15.701 779 HE2 MET 103 HE2 MET 103 -8.677 -11.314 -16.349 780 HE3 MET 103 HE3 MET 103 -7.619 -11.979 -15.106 781 H ASN 104 H ASN 104 -12.118 -9.920 -15.549 782 HA ASN 104 HA ASN 104 -10.662 -7.576 -15.074 783 HB2 ASN 104 HB2 ASN 104 -10.910 -8.923 -17.234 784 HB3 ASN 104 HB3 ASN 104 -12.415 -8.050 -17.479 785 HD21 ASN 104 HD21 ASN 104 -11.741 -7.000 -19.305 786 HD22 ASN 104 HD22 ASN 104 -10.523 -5.760 -19.291 787 H GLN 105 H GLN 105 -14.039 -8.230 -14.971 788 HA GLN 105 HA GLN 105 -15.205 -5.754 -15.411 789 HB2 GLN 105 HB2 GLN 105 -16.084 -8.212 -14.749 790 HB3 GLN 105 HB3 GLN 105 -16.223 -7.435 -13.181 791 HG2 GLN 105 HG2 GLN 105 -17.447 -6.301 -15.670 792 HG3 GLN 105 HG3 GLN 105 -18.267 -7.458 -14.630 793 HE21 GLN 105 HE21 GLN 105 -17.122 -4.218 -14.972 794 HE22 GLN 105 HE22 GLN 105 -17.923 -3.570 -13.578 795 H TYR 106 H TYR 106 -13.828 -7.122 -12.445 796 HA TYR 106 HA TYR 106 -14.300 -4.662 -10.979 797 HB2 TYR 106 HB2 TYR 106 -14.583 -6.901 -9.910 798 HB3 TYR 106 HB3 TYR 106 -12.854 -7.170 -10.092 799 HD1 TYR 106 HD2 TYR 106 -15.414 -5.172 -8.356 800 HD2 TYR 106 HD1 TYR 106 -11.286 -6.160 -8.596 801 HE1 TYR 106 HE2 TYR 106 -15.033 -4.081 -6.187 802 HE2 TYR 106 HE1 TYR 106 -10.892 -5.068 -6.432 803 HH TYR 106 HH TYR 106 -11.958 -3.329 -5.020 804 H ARG 107 H ARG 107 -11.769 -6.268 -12.688 805 HA ARG 107 HA ARG 107 -9.535 -4.957 -11.591 806 HB2 ARG 107 HB2 ARG 107 -9.300 -6.951 -12.954 807 HB3 ARG 107 HB3 ARG 107 -9.975 -6.120 -14.343 808 HG2 ARG 107 HG2 ARG 107 -8.051 -4.684 -14.486 809 HG3 ARG 107 HG3 ARG 107 -7.400 -5.353 -12.991 810 HD2 ARG 107 HD2 ARG 107 -7.151 -7.524 -14.037 811 HD3 ARG 107 HD3 ARG 107 -7.880 -6.915 -15.522 812 HE ARG 107 HE ARG 107 -5.886 -5.305 -15.494 813 HH11 ARG 107 HH11 ARG 107 -5.780 -8.576 -14.241 814 HH12 ARG 107 HH12 ARG 107 -4.088 -8.785 -14.585 815 HH21 ARG 107 HH21 ARG 107 -3.674 -5.604 -15.982 816 HH22 ARG 107 HH22 ARG 107 -2.907 -7.112 -15.577 817 H GLY 108 H GLY 108 -8.405 -3.136 -12.254 818 HA2 GLY 108 HA2 GLY 108 -8.257 -1.268 -13.886 819 HA3 GLY 108 HA3 GLY 108 -10.017 -1.232 -13.834 820 H ILE 109 H ILE 109 -10.381 -1.622 -11.102 821 HA ILE 109 HA ILE 109 -9.834 0.965 -10.011 822 HB ILE 109 HB ILE 109 -10.715 -1.483 -8.471 823 HG12 ILE 109 HG12 ILE 109 -12.528 0.475 -9.892 824 HG13 ILE 109 HG13 ILE 109 -12.089 -1.097 -10.553 825 HG21 ILE 109 HG21 ILE 109 -11.224 1.460 -8.057 826 HG22 ILE 109 HG22 ILE 109 -10.091 0.465 -7.142 827 HG23 ILE 109 HG23 ILE 109 -11.824 0.154 -7.033 828 HD11 ILE 109 HD11 ILE 109 -14.266 -1.155 -9.480 829 HD12 ILE 109 HD12 ILE 109 -13.541 -0.625 -7.962 830 HD13 ILE 109 HD13 ILE 109 -13.116 -2.195 -8.641 831 H TYR 110 H TYR 110 -8.570 -2.286 -9.568 832 HA TYR 110 HA TYR 110 -6.342 -1.160 -8.031 833 HB2 TYR 110 HB2 TYR 110 -5.850 -3.391 -7.279 834 HB3 TYR 110 HB3 TYR 110 -7.574 -3.130 -7.064 835 HD1 TYR 110 HD1 TYR 110 -9.181 -4.195 -8.666 836 HD2 TYR 110 HD2 TYR 110 -5.029 -5.112 -8.684 837 HE1 TYR 110 HE1 TYR 110 -9.643 -6.236 -9.955 838 HE2 TYR 110 HE2 TYR 110 -5.476 -7.158 -9.974 839 HH TYR 110 HH TYR 110 -7.403 -8.712 -10.360 840 H SER 111 H SER 111 -4.241 -1.437 -8.735 841 HA SER 111 HA SER 111 -3.634 -2.928 -11.109 842 HB2 SER 111 HB2 SER 111 -2.725 -0.909 -12.327 843 HB3 SER 111 HB3 SER 111 -4.483 -0.979 -12.232 844 HG SER 111 HG SER 111 -3.792 0.331 -10.108 845 H PHE 112 H PHE 112 -1.433 -3.360 -11.249 846 HA PHE 112 HA PHE 112 0.061 -2.507 -8.878 847 HB2 PHE 112 HB2 PHE 112 0.644 -4.809 -10.753 848 HB3 PHE 112 HB3 PHE 112 1.454 -4.474 -9.228 849 HD1 PHE 112 HD2 PHE 112 0.117 -4.652 -7.094 850 HD2 PHE 112 HD1 PHE 112 -1.310 -6.091 -10.832 851 HE1 PHE 112 HE2 PHE 112 -1.516 -6.065 -5.919 852 HE2 PHE 112 HE1 PHE 112 -2.950 -7.509 -9.665 853 HZ PHE 112 HZ PHE 112 -3.053 -7.496 -7.206 854 H GLU 113 H GLU 113 1.959 -1.442 -9.036 855 HA GLU 113 HA GLU 113 3.083 -0.987 -11.706 856 HB2 GLU 113 HB2 GLU 113 1.464 0.866 -10.949 857 HB3 GLU 113 HB3 GLU 113 2.686 1.281 -9.755 858 HG2 GLU 113 HG2 GLU 113 4.303 1.600 -11.609 859 HG3 GLU 113 HG3 GLU 113 2.989 1.316 -12.748 860 H LYS 114 H LYS 114 5.294 -0.788 -11.728 861 HA LYS 114 HA LYS 114 6.657 -1.446 -9.293 862 HB2 LYS 114 HB2 LYS 114 8.683 -1.349 -10.870 863 HB3 LYS 114 HB3 LYS 114 7.522 -2.663 -11.025 864 HG2 LYS 114 HG2 LYS 114 6.383 -1.265 -12.766 865 HG3 LYS 114 HG3 LYS 114 7.801 -0.218 -12.718 866 HD2 LYS 114 HD2 LYS 114 9.204 -1.887 -13.545 867 HD3 LYS 114 HD3 LYS 114 8.046 -3.171 -13.159 868 HE2 LYS 114 HE2 LYS 114 6.553 -2.447 -14.824 869 HE3 LYS 114 HE3 LYS 114 7.466 -0.966 -15.073 870 HZ1 LYS 114 HZ1 LYS 114 8.356 -3.724 -15.745 871 HZ2 LYS 114 HZ2 LYS 114 9.316 -2.342 -15.920 872 HZ3 LYS 114 HZ3 LYS 114 7.906 -2.522 -16.852 873 H VAL 115 H VAL 115 7.700 -0.071 -7.991 874 HA VAL 115 HA VAL 115 8.387 2.569 -9.060 875 HB VAL 115 HB VAL 115 6.349 2.935 -7.841 876 HG11 VAL 115 HG11 VAL 115 6.085 2.375 -5.477 877 HG12 VAL 115 HG12 VAL 115 7.656 1.576 -5.489 878 HG13 VAL 115 HG13 VAL 115 6.331 0.932 -6.459 879 HG21 VAL 115 HG21 VAL 115 8.711 3.824 -6.189 880 HG22 VAL 115 HG22 VAL 115 7.094 4.526 -6.136 881 HG23 VAL 115 HG23 VAL 115 8.060 4.650 -7.605 882 H LYS 116 H LYS 116 10.502 2.701 -8.993 883 HA LYS 116 HA LYS 116 11.880 2.370 -6.470 884 HB2 LYS 116 HB2 LYS 116 11.893 0.161 -7.992 885 HB3 LYS 116 HB3 LYS 116 13.201 1.023 -8.786 886 HG2 LYS 116 HG2 LYS 116 13.086 0.327 -5.855 887 HG3 LYS 116 HG3 LYS 116 14.013 -0.531 -7.084 888 HD2 LYS 116 HD2 LYS 116 15.308 1.518 -7.509 889 HD3 LYS 116 HD3 LYS 116 14.396 2.344 -6.244 890 HE2 LYS 116 HE2 LYS 116 15.206 0.655 -4.625 891 HE3 LYS 116 HE3 LYS 116 16.189 -0.057 -5.900 892 HZ1 LYS 116 HZ1 LYS 116 17.543 1.384 -4.592 893 HZ2 LYS 116 HZ2 LYS 116 16.454 2.673 -4.763 894 HZ3 LYS 116 HZ3 LYS 116 17.324 2.112 -6.108 895 H ALA 117 H ALA 117 12.372 4.512 -6.488 896 HA ALA 117 HA ALA 117 14.335 5.428 -8.406 897 HB1 ALA 117 HB1 ALA 117 11.654 6.803 -8.194 898 HB2 ALA 117 HB2 ALA 117 12.230 5.877 -9.579 899 HB3 ALA 117 HB3 ALA 117 13.042 7.374 -9.122 900 H HIS 118 H HIS 118 15.302 7.448 -7.785 901 HA HIS 118 HA HIS 118 15.014 8.033 -4.929 902 HB2 HIS 118 HB2 HIS 118 17.051 9.318 -5.105 903 HB3 HIS 118 HB3 HIS 118 17.310 7.773 -5.902 904 HD1 HIS 118 HD1 HIS 118 17.000 11.450 -6.585 905 HD2 HIS 118 HD2 HIS 118 17.807 7.927 -8.656 906 HE1 HIS 118 HE1 HIS 118 17.831 12.160 -8.852 907 HE2 HIS 118 HE2 HIS 118 18.162 10.019 -10.134 908 H SER 119 H SER 119 14.016 9.107 -7.959 909 HA SER 119 HA SER 119 13.618 11.883 -7.289 910 HB2 SER 119 HB2 SER 119 12.536 10.320 -9.644 911 HB3 SER 119 HB3 SER 119 12.741 12.070 -9.525 912 HG SER 119 HG SER 119 14.484 11.297 -10.650 913 H GLY 120 H GLY 120 12.324 10.042 -5.513 914 HA2 GLY 120 HA2 GLY 120 9.600 9.713 -6.088 915 HA3 GLY 120 HA3 GLY 120 10.343 9.639 -4.496 916 H ASN 121 H ASN 121 7.886 10.861 -5.524 917 HA ASN 121 HA ASN 121 8.092 13.678 -5.433 918 HB2 ASN 121 HB2 ASN 121 5.751 11.813 -5.044 919 HB3 ASN 121 HB3 ASN 121 5.589 13.565 -4.994 920 HD21 ASN 121 HD21 ASN 121 4.284 13.677 -6.773 921 HD22 ASN 121 HD22 ASN 121 4.856 13.366 -8.381 922 H GLU 122 H GLU 122 6.576 14.852 -3.750 923 HA GLU 122 HA GLU 122 7.999 15.129 -1.430 924 HB2 GLU 122 HB2 GLU 122 5.039 15.631 -1.725 925 HB3 GLU 122 HB3 GLU 122 6.102 16.352 -0.526 926 HG2 GLU 122 HG2 GLU 122 7.360 17.434 -2.344 927 HG3 GLU 122 HG3 GLU 122 6.194 16.783 -3.496 928 H PHE 123 H PHE 123 5.105 13.175 -1.879 929 HA PHE 123 HA PHE 123 4.749 12.532 0.837 930 HB2 PHE 123 HB2 PHE 123 3.792 10.964 -1.561 931 HB3 PHE 123 HB3 PHE 123 3.113 10.928 0.064 932 HD1 PHE 123 HD1 PHE 123 2.254 13.200 0.989 933 HD2 PHE 123 HD2 PHE 123 2.890 12.386 -3.142 934 HE1 PHE 123 HE1 PHE 123 0.743 15.047 0.397 935 HE2 PHE 123 HE2 PHE 123 1.379 14.236 -3.740 936 HZ PHE 123 HZ PHE 123 0.305 15.568 -1.970 937 H ASN 124 H ASN 124 6.767 11.161 -1.633 938 HA ASN 124 HA ASN 124 7.213 8.643 -0.355 939 HB2 ASN 124 HB2 ASN 124 7.644 9.245 -2.816 940 HB3 ASN 124 HB3 ASN 124 9.119 10.016 -2.255 941 HD21 ASN 124 HD21 ASN 124 9.663 8.007 -0.195 942 HD22 ASN 124 HD22 ASN 124 10.178 6.584 -1.036 943 H ASP 125 H ASP 125 8.912 11.755 -0.428 944 HA ASP 125 HA ASP 125 10.999 10.912 1.340 945 HB2 ASP 125 HB2 ASP 125 11.344 12.754 -0.236 946 HB3 ASP 125 HB3 ASP 125 10.088 13.694 0.562 947 H TYR 126 H TYR 126 7.851 12.320 1.686 948 HA TYR 126 HA TYR 126 7.988 13.163 4.357 949 HB2 TYR 126 HB2 TYR 126 6.156 13.810 2.884 950 HB3 TYR 126 HB3 TYR 126 5.634 12.135 2.756 951 HD1 TYR 126 HD2 TYR 126 6.196 14.790 5.327 952 HD2 TYR 126 HD1 TYR 126 3.943 11.384 4.135 953 HE1 TYR 126 HE2 TYR 126 4.701 15.108 7.254 954 HE2 TYR 126 HE1 TYR 126 2.440 11.700 6.051 955 HH TYR 126 HH TYR 126 2.310 12.730 8.142 956 H VAL 127 H VAL 127 6.925 10.046 2.969 957 HA VAL 127 HA VAL 127 6.563 8.863 5.555 958 HB VAL 127 HB VAL 127 5.319 8.118 3.516 959 HG11 VAL 127 HG11 VAL 127 7.124 8.138 1.897 960 HG12 VAL 127 HG12 VAL 127 6.387 6.537 1.983 961 HG13 VAL 127 HG13 VAL 127 7.939 6.839 2.763 962 HG21 VAL 127 HG21 VAL 127 5.344 6.739 5.492 963 HG22 VAL 127 HG22 VAL 127 6.872 6.009 5.000 964 HG23 VAL 127 HG23 VAL 127 5.412 5.721 4.053 965 H ASP 128 H ASP 128 9.169 9.130 3.266 966 HA ASP 128 HA ASP 128 10.950 7.228 4.292 967 HB2 ASP 128 HB2 ASP 128 11.502 8.246 2.220 968 HB3 ASP 128 HB3 ASP 128 11.356 9.866 2.889 969 H MET 129 H MET 129 10.475 10.641 5.152 970 HA MET 129 HA MET 129 12.424 10.790 7.150 971 HB2 MET 129 HB2 MET 129 11.274 12.746 6.176 972 HB3 MET 129 HB3 MET 129 9.793 12.273 6.991 973 HG2 MET 129 HG2 MET 129 12.236 12.724 8.624 974 HG3 MET 129 HG3 MET 129 11.371 14.117 7.979 975 HE1 MET 129 HE1 MET 129 8.367 13.317 8.026 976 HE2 MET 129 HE2 MET 129 8.961 14.842 8.684 977 HE3 MET 129 HE3 MET 129 7.874 13.835 9.640 978 H LYS 130 H LYS 130 9.068 9.708 7.274 979 HA LYS 130 HA LYS 130 8.877 9.296 10.048 980 HB2 LYS 130 HB2 LYS 130 7.431 8.331 7.650 981 HB3 LYS 130 HB3 LYS 130 7.295 7.322 9.080 982 HG2 LYS 130 HG2 LYS 130 5.447 8.875 8.935 983 HG3 LYS 130 HG3 LYS 130 6.440 9.217 10.349 984 HD2 LYS 130 HD2 LYS 130 7.498 11.068 9.184 985 HD3 LYS 130 HD3 LYS 130 6.575 10.697 7.725 986 HE2 LYS 130 HE2 LYS 130 5.603 12.567 8.996 987 HE3 LYS 130 HE3 LYS 130 4.502 11.200 8.858 988 HZ1 LYS 130 HZ1 LYS 130 4.583 12.221 11.096 989 HZ2 LYS 130 HZ2 LYS 130 6.198 11.721 11.239 990 HZ3 LYS 130 HZ3 LYS 130 4.961 10.566 11.094 991 H ALA 131 H ALA 131 9.891 7.124 7.436 992 HA ALA 131 HA ALA 131 10.377 4.864 9.042 993 HB1 ALA 131 HB1 ALA 131 11.644 5.606 6.410 994 HB2 ALA 131 HB2 ALA 131 10.121 4.741 6.617 995 HB3 ALA 131 HB3 ALA 131 11.632 4.002 7.142 996 H LYS 132 H LYS 132 12.555 7.445 7.917 997 HA LYS 132 HA LYS 132 14.927 6.429 8.999 998 HB2 LYS 132 HB2 LYS 132 14.052 9.262 8.479 999 HB3 LYS 132 HB3 LYS 132 15.663 8.855 9.052 1000 HG2 LYS 132 HG2 LYS 132 15.637 7.242 6.973 1001 HG3 LYS 132 HG3 LYS 132 14.417 8.383 6.396 1002 HD2 LYS 132 HD2 LYS 132 15.946 10.220 6.621 1003 HD3 LYS 132 HD3 LYS 132 17.146 9.187 7.400 1004 HE2 LYS 132 HE2 LYS 132 17.960 9.240 5.264 1005 HE3 LYS 132 HE3 LYS 132 16.938 7.811 5.178 1006 HZ1 LYS 132 HZ1 LYS 132 16.476 9.086 3.272 1007 HZ2 LYS 132 HZ2 LYS 132 16.347 10.524 4.151 1008 HZ3 LYS 132 HZ3 LYS 132 15.153 9.333 4.305 1009 H SER 133 H SER 133 12.400 8.404 10.460 1010 HA SER 133 HA SER 133 13.713 9.050 12.850 1011 HB2 SER 133 HB2 SER 133 10.749 8.669 12.360 1012 HB3 SER 133 HB3 SER 133 11.460 9.503 13.740 1013 HG SER 133 HG SER 133 11.627 10.255 10.999 1014 H ALA 134 H ALA 134 12.025 6.148 11.852 1015 HA ALA 134 HA ALA 134 11.916 5.002 14.483 1016 HB1 ALA 134 HB1 ALA 134 11.564 3.685 11.793 1017 HB2 ALA 134 HB2 ALA 134 10.280 4.407 12.765 1018 HB3 ALA 134 HB3 ALA 134 11.144 2.988 13.356 1019 H LEU 135 H LEU 135 14.319 5.313 12.094 1020 HA LEU 135 HA LEU 135 15.807 2.961 12.985 1021 HB2 LEU 135 HB2 LEU 135 16.319 4.971 10.792 1022 HB3 LEU 135 HB3 LEU 135 17.410 3.658 11.185 1023 HG LEU 135 HG LEU 135 14.559 3.271 10.276 1024 HD11 LEU 135 HD11 LEU 135 15.540 2.596 8.134 1025 HD12 LEU 135 HD12 LEU 135 17.139 3.058 8.722 1026 HD13 LEU 135 HD13 LEU 135 15.889 4.284 8.504 1027 HD21 LEU 135 HD21 LEU 135 16.862 1.358 10.627 1028 HD22 LEU 135 HD22 LEU 135 15.292 0.952 9.931 1029 HD23 LEU 135 HD23 LEU 135 15.408 1.444 11.621 1030 H GLY 136 H GLY 136 15.586 6.294 13.600 1031 HA2 GLY 136 HA2 GLY 136 16.775 7.405 15.318 1032 HA3 GLY 136 HA3 GLY 136 18.051 6.204 15.175 1033 H ILE 137 H ILE 137 17.434 6.801 12.125 1034 HA ILE 137 HA ILE 137 19.616 8.674 11.813 1035 HB ILE 137 HB ILE 137 17.861 7.393 9.702 1036 HG12 ILE 137 HG12 ILE 137 20.613 6.594 10.682 1037 HG13 ILE 137 HG13 ILE 137 19.116 5.743 11.048 1038 HG21 ILE 137 HG21 ILE 137 19.667 7.997 8.151 1039 HG22 ILE 137 HG22 ILE 137 20.506 8.823 9.465 1040 HG23 ILE 137 HG23 ILE 137 18.944 9.418 8.904 1041 HD11 ILE 137 HD11 ILE 137 20.322 6.087 8.314 1042 HD12 ILE 137 HD12 ILE 137 18.826 5.229 8.682 1043 HD13 ILE 137 HD13 ILE 137 20.365 4.624 9.296 1044 H ARG 138 H ARG 138 19.399 10.802 11.415 1045 HA ARG 138 HA ARG 138 18.443 12.859 11.300 1046 HB2 ARG 138 HB2 ARG 138 17.642 12.029 9.095 1047 HB3 ARG 138 HB3 ARG 138 16.186 11.428 9.874 1048 HG2 ARG 138 HG2 ARG 138 15.590 13.721 10.503 1049 HG3 ARG 138 HG3 ARG 138 17.044 14.311 9.692 1050 HD2 ARG 138 HD2 ARG 138 16.245 13.468 7.573 1051 HD3 ARG 138 HD3 ARG 138 14.837 12.751 8.354 1052 HE ARG 138 HE ARG 138 14.555 15.333 8.998 1053 HH11 ARG 138 HH11 ARG 138 15.251 13.781 5.937 1054 HH12 ARG 138 HH12 ARG 138 14.448 14.999 4.990 1055 HH21 ARG 138 HH21 ARG 138 13.516 16.940 7.768 1056 HH22 ARG 138 HH22 ARG 138 13.471 16.809 6.035 1057 H ASP 139 H ASP 139 18.296 11.800 13.650 1058 HA ASP 139 HA ASP 139 15.547 11.928 14.630 1059 HB2 ASP 139 HB2 ASP 139 16.860 10.035 15.425 1060 HB3 ASP 139 HB3 ASP 139 18.128 11.114 15.995 1061 H LEU 140 H LEU 140 14.868 13.484 16.067 1062 HA LEU 140 HA LEU 140 15.953 16.041 15.744 1063 HB2 LEU 140 HB2 LEU 140 13.594 15.606 16.236 1064 HB3 LEU 140 HB3 LEU 140 14.023 15.038 17.836 1065 HG LEU 140 HG LEU 140 14.819 17.815 17.126 1066 HD11 LEU 140 HD11 LEU 140 11.988 17.014 17.780 1067 HD12 LEU 140 HD12 LEU 140 12.550 17.693 16.253 1068 HD13 LEU 140 HD13 LEU 140 12.606 18.665 17.724 1069 HD21 LEU 140 HD21 LEU 140 15.391 16.882 19.301 1070 HD22 LEU 140 HD22 LEU 140 13.695 16.512 19.605 1071 HD23 LEU 140 HD23 LEU 140 14.222 18.190 19.479 1072 H GLU 141 H GLU 141 16.514 13.630 18.234 1073 HA GLU 141 HA GLU 141 18.039 15.602 19.790 1074 HB2 GLU 141 HB2 GLU 141 17.078 12.840 20.561 1075 HB3 GLU 141 HB3 GLU 141 17.955 13.947 21.611 1076 HG2 GLU 141 HG2 GLU 141 16.114 15.573 21.376 1077 HG3 GLU 141 HG3 GLU 141 15.221 14.380 20.436 1078 H HIS 142 H HIS 142 18.736 13.914 17.280 1079 HA HIS 142 HA HIS 142 21.130 12.561 18.252 1080 HB2 HIS 142 HB2 HIS 142 19.612 11.702 16.340 1081 HB3 HIS 142 HB3 HIS 142 20.385 12.939 15.358 1082 HD1 HIS 142 HD1 HIS 142 23.214 12.709 15.497 1083 HD2 HIS 142 HD2 HIS 142 20.868 9.335 16.170 1084 HE1 HIS 142 HE1 HIS 142 24.720 10.741 15.085 1085 HE2 HIS 142 HE2 HIS 142 23.225 8.718 15.294 1086 H HIS 143 H HIS 143 22.961 13.623 18.485 1087 HA HIS 143 HA HIS 143 23.191 16.357 17.661 1088 HB2 HIS 143 HB2 HIS 143 25.129 14.450 18.980 1089 HB3 HIS 143 HB3 HIS 143 25.531 16.123 18.604 1090 HD1 HIS 143 HD1 HIS 143 25.013 17.775 20.354 1091 HD2 HIS 143 HD2 HIS 143 22.820 14.278 20.837 1092 HE1 HIS 143 HE1 HIS 143 23.770 18.049 22.525 1093 HE2 HIS 143 HE2 HIS 143 22.620 15.832 22.899 1094 H HIS 144 H HIS 144 24.891 17.226 16.352 1095 HA HIS 144 HA HIS 144 25.672 15.451 14.149 1096 HB2 HIS 144 HB2 HIS 144 25.561 18.458 14.405 1097 HB3 HIS 144 HB3 HIS 144 26.361 17.656 13.059 1098 HD1 HIS 144 HD1 HIS 144 24.949 17.061 11.116 1099 HD2 HIS 144 HD2 HIS 144 22.685 17.859 14.519 1100 HE1 HIS 144 HE1 HIS 144 22.551 17.038 10.359 1101 HE2 HIS 144 HE2 HIS 144 21.213 17.711 12.386 1102 H HIS 145 H HIS 145 27.653 14.681 14.068 1103 HA HIS 145 HA HIS 145 29.616 15.414 16.010 1104 HB2 HIS 145 HB2 HIS 145 29.549 13.136 15.296 1105 HB3 HIS 145 HB3 HIS 145 29.678 13.589 13.602 1106 HD1 HIS 145 HD1 HIS 145 31.883 14.301 16.657 1107 HD2 HIS 145 HD2 HIS 145 32.122 12.904 12.743 1108 HE1 HIS 145 HE1 HIS 145 34.318 13.807 16.256 1109 HE2 HIS 145 HE2 HIS 145 34.394 12.758 13.962 1110 H HIS 146 H HIS 146 29.154 16.056 12.584 1111 HA HIS 146 HA HIS 146 31.591 17.654 12.492 1112 HB2 HIS 146 HB2 HIS 146 31.010 16.123 10.611 1113 HB3 HIS 146 HB3 HIS 146 29.569 17.085 10.311 1114 HD1 HIS 146 HD1 HIS 146 33.333 17.333 10.175 1115 HD2 HIS 146 HD2 HIS 146 29.964 19.299 8.727 1116 HE1 HIS 146 HE1 HIS 146 34.187 18.990 8.485 1117 HE2 HIS 146 HE2 HIS 146 32.119 20.036 7.496 1118 H HIS 147 H HIS 147 31.510 19.707 13.088 1119 HA HIS 147 HA HIS 147 29.069 21.123 13.453 1120 HB2 HIS 147 HB2 HIS 147 31.006 21.560 14.874 1121 HB3 HIS 147 HB3 HIS 147 31.934 22.095 13.481 1122 HD1 HIS 147 HD1 HIS 147 31.997 24.543 13.167 1123 HD2 HIS 147 HD2 HIS 147 28.620 23.351 15.287 1124 HE1 HIS 147 HE1 HIS 147 30.821 26.667 13.821 1125 HE2 HIS 147 HE2 HIS 147 28.848 25.932 15.210 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -20.018 18.213 -1.704 2 H2 MET 1 H2 MET 1 -19.571 19.715 -2.342 3 H3 MET 1 H3 MET 1 -18.962 19.219 -0.839 4 HA MET 1 HA MET 1 -18.411 17.886 -3.427 5 HB2 MET 1 HB2 MET 1 -16.694 19.716 -1.735 6 HB3 MET 1 HB3 MET 1 -16.081 18.742 -3.061 7 HG2 MET 1 HG2 MET 1 -16.381 20.960 -3.850 8 HG3 MET 1 HG3 MET 1 -17.622 19.951 -4.586 9 HE1 MET 1 HE1 MET 1 -17.682 23.103 -4.584 10 HE2 MET 1 HE2 MET 1 -19.354 23.457 -4.150 11 HE3 MET 1 HE3 MET 1 -18.997 22.160 -5.290 12 H ASP 2 H ASP 2 -18.499 15.779 -2.825 13 HA ASP 2 HA ASP 2 -17.025 15.021 -0.389 14 HB2 ASP 2 HB2 ASP 2 -19.358 13.610 -1.700 15 HB3 ASP 2 HB3 ASP 2 -18.469 13.009 -0.305 16 H ASP 3 H ASP 3 -15.144 15.091 -1.804 17 HA ASP 3 HA ASP 3 -13.530 14.171 -3.105 18 HB2 ASP 3 HB2 ASP 3 -14.593 11.740 -1.671 19 HB3 ASP 3 HB3 ASP 3 -13.109 11.737 -2.613 20 H ARG 4 H ARG 4 -14.649 14.707 -5.097 21 HA ARG 4 HA ARG 4 -15.353 12.249 -6.560 22 HB2 ARG 4 HB2 ARG 4 -16.719 13.731 -8.074 23 HB3 ARG 4 HB3 ARG 4 -17.357 13.518 -6.451 24 HG2 ARG 4 HG2 ARG 4 -16.393 15.706 -5.824 25 HG3 ARG 4 HG3 ARG 4 -15.881 15.923 -7.500 26 HD2 ARG 4 HD2 ARG 4 -18.021 17.061 -6.947 27 HD3 ARG 4 HD3 ARG 4 -18.157 15.890 -8.258 28 HE ARG 4 HE ARG 4 -18.940 14.342 -6.338 29 HH11 ARG 4 HH11 ARG 4 -19.609 17.777 -6.540 30 HH12 ARG 4 HH12 ARG 4 -21.151 17.647 -5.742 31 HH21 ARG 4 HH21 ARG 4 -20.937 14.165 -5.305 32 HH22 ARG 4 HH22 ARG 4 -21.920 15.582 -5.051 33 H THR 5 H THR 5 -12.910 14.042 -6.037 34 HA THR 5 HA THR 5 -12.131 14.751 -8.736 35 HB THR 5 HB THR 5 -9.907 15.148 -7.217 36 HG1 THR 5 HG1 THR 5 -12.033 15.891 -5.491 37 HG21 THR 5 HG21 THR 5 -10.629 17.497 -7.078 38 HG22 THR 5 HG22 THR 5 -12.270 17.007 -7.505 39 HG23 THR 5 HG23 THR 5 -10.958 16.802 -8.666 40 H GLU 6 H GLU 6 -9.736 14.133 -9.251 41 HA GLU 6 HA GLU 6 -9.626 11.292 -9.453 42 HB2 GLU 6 HB2 GLU 6 -8.754 12.911 -11.163 43 HB3 GLU 6 HB3 GLU 6 -7.442 13.293 -10.057 44 HG2 GLU 6 HG2 GLU 6 -6.611 11.051 -10.180 45 HG3 GLU 6 HG3 GLU 6 -8.003 10.544 -11.136 46 H TYR 7 H TYR 7 -9.037 10.000 -7.863 47 HA TYR 7 HA TYR 7 -7.748 10.967 -5.511 48 HB2 TYR 7 HB2 TYR 7 -8.204 8.084 -6.292 49 HB3 TYR 7 HB3 TYR 7 -7.975 8.725 -4.670 50 HD1 TYR 7 HD2 TYR 7 -9.797 10.246 -3.717 51 HD2 TYR 7 HD1 TYR 7 -10.337 7.906 -7.231 52 HE1 TYR 7 HE2 TYR 7 -12.237 10.441 -3.468 53 HE2 TYR 7 HE1 TYR 7 -12.776 8.091 -6.989 54 HH TYR 7 HH TYR 7 -14.253 10.282 -4.818 55 H ASP 8 H ASP 8 -5.649 11.079 -5.081 56 HA ASP 8 HA ASP 8 -3.788 9.563 -6.772 57 HB2 ASP 8 HB2 ASP 8 -2.089 11.254 -6.086 58 HB3 ASP 8 HB3 ASP 8 -3.436 11.941 -6.981 59 H VAL 9 H VAL 9 -3.083 7.783 -5.848 60 HA VAL 9 HA VAL 9 -2.937 7.660 -2.908 61 HB VAL 9 HB VAL 9 -3.184 5.370 -4.882 62 HG11 VAL 9 HG11 VAL 9 -2.018 4.773 -2.806 63 HG12 VAL 9 HG12 VAL 9 -3.593 3.988 -2.918 64 HG13 VAL 9 HG13 VAL 9 -3.377 5.389 -1.866 65 HG21 VAL 9 HG21 VAL 9 -5.482 5.163 -4.037 66 HG22 VAL 9 HG22 VAL 9 -5.211 6.716 -4.828 67 HG23 VAL 9 HG23 VAL 9 -5.252 6.617 -3.068 68 H TYR 10 H TYR 10 -1.050 7.161 -1.929 69 HA TYR 10 HA TYR 10 1.249 6.570 -3.664 70 HB2 TYR 10 HB2 TYR 10 1.041 8.078 -1.066 71 HB3 TYR 10 HB3 TYR 10 2.577 7.420 -1.615 72 HD1 TYR 10 HD1 TYR 10 -0.236 9.382 -3.132 73 HD2 TYR 10 HD2 TYR 10 3.960 8.941 -2.621 74 HE1 TYR 10 HE1 TYR 10 0.135 11.391 -4.493 75 HE2 TYR 10 HE2 TYR 10 4.344 10.944 -3.991 76 HH TYR 10 HH TYR 10 1.756 13.050 -4.922 77 H THR 11 H THR 11 2.351 4.755 -3.380 78 HA THR 11 HA THR 11 2.151 3.276 -0.869 79 HB THR 11 HB THR 11 1.740 1.931 -3.557 80 HG1 THR 11 HG1 THR 11 -0.014 3.204 -1.928 81 HG21 THR 11 HG21 THR 11 1.157 -0.033 -2.206 82 HG22 THR 11 HG22 THR 11 1.503 0.875 -0.733 83 HG23 THR 11 HG23 THR 11 2.801 0.505 -1.867 84 H ASP 12 H ASP 12 4.033 2.138 -0.393 85 HA ASP 12 HA ASP 12 6.338 3.078 -1.846 86 HB2 ASP 12 HB2 ASP 12 7.359 2.892 0.140 87 HB3 ASP 12 HB3 ASP 12 5.834 2.342 0.822 88 H GLY 13 H GLY 13 8.055 1.689 -2.524 89 HA2 GLY 13 HA2 GLY 13 7.581 -1.146 -2.825 90 HA3 GLY 13 HA3 GLY 13 7.624 -0.244 -4.340 91 H SER 14 H SER 14 9.456 0.544 -1.467 92 HA SER 14 HA SER 14 11.851 0.433 -3.155 93 HB2 SER 14 HB2 SER 14 12.806 1.966 -1.368 94 HB3 SER 14 HB3 SER 14 11.500 2.629 -2.346 95 HG SER 14 HG SER 14 10.509 1.375 -0.156 96 H TYR 15 H TYR 15 12.917 -1.407 -2.939 97 HA TYR 15 HA TYR 15 13.360 -2.457 -0.237 98 HB2 TYR 15 HB2 TYR 15 14.045 -4.554 -1.338 99 HB3 TYR 15 HB3 TYR 15 12.407 -4.091 -1.777 100 HD1 TYR 15 HD1 TYR 15 12.017 -3.042 -4.055 101 HD2 TYR 15 HD2 TYR 15 15.694 -4.894 -2.975 102 HE1 TYR 15 HE1 TYR 15 12.597 -3.264 -6.435 103 HE2 TYR 15 HE2 TYR 15 16.289 -5.119 -5.349 104 HH TYR 15 HH TYR 15 15.195 -5.207 -7.521 105 H VAL 16 H VAL 16 15.309 -2.254 0.655 106 HA VAL 16 HA VAL 16 17.644 -1.838 -1.036 107 HB VAL 16 HB VAL 16 16.703 0.428 -0.651 108 HG11 VAL 16 HG11 VAL 16 16.792 1.423 1.586 109 HG12 VAL 16 HG12 VAL 16 17.240 -0.144 2.260 110 HG13 VAL 16 HG13 VAL 16 15.658 0.074 1.508 111 HG21 VAL 16 HG21 VAL 16 18.773 1.478 0.128 112 HG22 VAL 16 HG22 VAL 16 19.096 0.159 -0.998 113 HG23 VAL 16 HG23 VAL 16 19.336 -0.080 0.733 114 H ASN 17 H ASN 17 19.565 -2.427 -0.059 115 HA ASN 17 HA ASN 17 20.937 -3.573 1.339 116 HB2 ASN 17 HB2 ASN 17 19.142 -2.428 3.493 117 HB3 ASN 17 HB3 ASN 17 20.667 -3.251 3.796 118 HD21 ASN 17 HD21 ASN 17 19.139 -0.336 2.859 119 HD22 ASN 17 HD22 ASN 17 20.568 0.626 2.716 120 H GLY 18 H GLY 18 18.477 -4.817 0.273 121 HA2 GLY 18 HA2 GLY 18 17.551 -6.913 0.308 122 HA3 GLY 18 HA3 GLY 18 18.754 -7.342 1.513 123 H GLN 19 H GLN 19 16.711 -4.672 2.254 124 HA GLN 19 HA GLN 19 14.969 -6.395 3.873 125 HB2 GLN 19 HB2 GLN 19 15.139 -4.682 5.711 126 HB3 GLN 19 HB3 GLN 19 16.608 -5.604 5.429 127 HG2 GLN 19 HG2 GLN 19 17.371 -3.667 3.988 128 HG3 GLN 19 HG3 GLN 19 16.021 -2.767 4.675 129 HE21 GLN 19 HE21 GLN 19 19.091 -4.267 5.319 130 HE22 GLN 19 HE22 GLN 19 19.364 -3.502 6.850 131 H TYR 20 H TYR 20 12.888 -5.547 4.284 132 HA TYR 20 HA TYR 20 12.146 -3.169 2.751 133 HB2 TYR 20 HB2 TYR 20 11.961 -5.188 1.270 134 HB3 TYR 20 HB3 TYR 20 10.775 -5.843 2.390 135 HD1 TYR 20 HD2 TYR 20 8.548 -4.778 2.598 136 HD2 TYR 20 HD1 TYR 20 11.382 -3.469 -0.291 137 HE1 TYR 20 HE2 TYR 20 6.760 -3.610 1.377 138 HE2 TYR 20 HE1 TYR 20 9.603 -2.300 -1.516 139 HH TYR 20 HH TYR 20 6.728 -1.511 -0.261 140 H ALA 21 H ALA 21 10.546 -2.025 3.649 141 HA ALA 21 HA ALA 21 8.826 -3.318 5.660 142 HB1 ALA 21 HB1 ALA 21 8.716 -1.175 6.852 143 HB2 ALA 21 HB2 ALA 21 9.852 -0.473 5.699 144 HB3 ALA 21 HB3 ALA 21 10.373 -1.772 6.772 145 H TRP 22 H TRP 22 6.606 -2.741 5.510 146 HA TRP 22 HA TRP 22 5.948 -1.765 2.842 147 HB2 TRP 22 HB2 TRP 22 3.611 -2.569 3.448 148 HB3 TRP 22 HB3 TRP 22 4.850 -3.803 3.289 149 HD1 TRP 22 HD1 TRP 22 5.567 -5.119 5.504 150 HE1 TRP 22 HE1 TRP 22 4.407 -5.412 7.783 151 HE3 TRP 22 HE3 TRP 22 2.136 -1.336 5.168 152 HZ2 TRP 22 HZ2 TRP 22 2.316 -4.216 9.235 153 HZ3 TRP 22 HZ3 TRP 22 0.587 -0.987 7.049 154 HH2 TRP 22 HH2 TRP 22 0.677 -2.397 9.038 155 H ALA 23 H ALA 23 5.057 0.129 2.415 156 HA ALA 23 HA ALA 23 4.055 1.719 4.693 157 HB1 ALA 23 HB1 ALA 23 6.279 2.485 4.001 158 HB2 ALA 23 HB2 ALA 23 5.043 3.706 3.708 159 HB3 ALA 23 HB3 ALA 23 5.673 2.751 2.365 160 H TYR 24 H TYR 24 2.175 2.768 4.420 161 HA TYR 24 HA TYR 24 1.052 2.925 1.699 162 HB2 TYR 24 HB2 TYR 24 -0.480 2.365 4.253 163 HB3 TYR 24 HB3 TYR 24 -1.200 2.618 2.669 164 HD1 TYR 24 HD1 TYR 24 -0.020 0.986 0.798 165 HD2 TYR 24 HD2 TYR 24 -0.432 0.191 4.959 166 HE1 TYR 24 HE1 TYR 24 0.107 -1.429 0.347 167 HE2 TYR 24 HE2 TYR 24 -0.300 -2.222 4.519 168 HH TYR 24 HH TYR 24 -0.760 -3.758 2.600 169 H ALA 25 H ALA 25 0.150 4.866 1.135 170 HA ALA 25 HA ALA 25 -0.137 6.895 3.241 171 HB1 ALA 25 HB1 ALA 25 2.019 7.254 2.116 172 HB2 ALA 25 HB2 ALA 25 0.893 8.581 1.825 173 HB3 ALA 25 HB3 ALA 25 1.179 7.377 0.569 174 H PHE 26 H PHE 26 -2.294 7.122 3.262 175 HA PHE 26 HA PHE 26 -3.740 7.262 0.731 176 HB2 PHE 26 HB2 PHE 26 -4.713 7.202 3.595 177 HB3 PHE 26 HB3 PHE 26 -5.774 7.347 2.197 178 HD1 PHE 26 HD1 PHE 26 -6.087 5.470 0.670 179 HD2 PHE 26 HD2 PHE 26 -3.639 5.115 4.136 180 HE1 PHE 26 HE1 PHE 26 -6.137 3.017 0.452 181 HE2 PHE 26 HE2 PHE 26 -3.685 2.667 3.922 182 HZ PHE 26 HZ PHE 26 -4.935 1.613 2.081 183 H VAL 27 H VAL 27 -3.382 9.141 -0.179 184 HA VAL 27 HA VAL 27 -3.803 11.592 1.388 185 HB VAL 27 HB VAL 27 -1.529 11.585 0.748 186 HG11 VAL 27 HG11 VAL 27 -1.593 9.746 -0.826 187 HG12 VAL 27 HG12 VAL 27 -0.743 11.125 -1.527 188 HG13 VAL 27 HG13 VAL 27 -2.400 10.766 -2.017 189 HG21 VAL 27 HG21 VAL 27 -3.005 13.179 -1.344 190 HG22 VAL 27 HG22 VAL 27 -1.310 13.389 -0.906 191 HG23 VAL 27 HG23 VAL 27 -2.575 13.722 0.277 192 H LYS 28 H LYS 28 -5.139 13.174 0.539 193 HA LYS 28 HA LYS 28 -6.456 12.543 -2.016 194 HB2 LYS 28 HB2 LYS 28 -7.839 13.608 0.462 195 HB3 LYS 28 HB3 LYS 28 -8.589 13.400 -1.107 196 HG2 LYS 28 HG2 LYS 28 -9.309 11.558 0.108 197 HG3 LYS 28 HG3 LYS 28 -7.978 10.925 -0.862 198 HD2 LYS 28 HD2 LYS 28 -6.475 11.128 1.054 199 HD3 LYS 28 HD3 LYS 28 -7.790 11.795 2.023 200 HE2 LYS 28 HE2 LYS 28 -7.824 9.055 0.762 201 HE3 LYS 28 HE3 LYS 28 -7.344 9.376 2.428 202 HZ1 LYS 28 HZ1 LYS 28 -10.016 9.957 1.251 203 HZ2 LYS 28 HZ2 LYS 28 -9.548 10.277 2.851 204 HZ3 LYS 28 HZ3 LYS 28 -9.648 8.677 2.305 205 H ASP 29 H ASP 29 -6.016 14.094 -3.416 206 HA ASP 29 HA ASP 29 -5.841 16.151 -4.380 207 HB2 ASP 29 HB2 ASP 29 -7.983 16.584 -3.140 208 HB3 ASP 29 HB3 ASP 29 -7.030 17.262 -1.829 209 H GLY 30 H GLY 30 -3.816 14.983 -2.518 210 HA2 GLY 30 HA2 GLY 30 -1.594 15.674 -2.215 211 HA3 GLY 30 HA3 GLY 30 -2.109 17.342 -2.406 212 H LYS 31 H LYS 31 -4.152 15.757 -0.271 213 HA LYS 31 HA LYS 31 -2.598 16.750 2.030 214 HB2 LYS 31 HB2 LYS 31 -5.561 16.235 2.004 215 HB3 LYS 31 HB3 LYS 31 -4.638 17.151 3.182 216 HG2 LYS 31 HG2 LYS 31 -5.081 17.962 0.319 217 HG3 LYS 31 HG3 LYS 31 -5.960 18.591 1.714 218 HD2 LYS 31 HD2 LYS 31 -4.035 19.641 2.582 219 HD3 LYS 31 HD3 LYS 31 -2.968 18.746 1.497 220 HE2 LYS 31 HE2 LYS 31 -3.269 21.082 0.797 221 HE3 LYS 31 HE3 LYS 31 -3.843 19.937 -0.411 222 HZ1 LYS 31 HZ1 LYS 31 -5.410 21.702 -0.202 223 HZ2 LYS 31 HZ2 LYS 31 -5.505 21.517 1.478 224 HZ3 LYS 31 HZ3 LYS 31 -6.118 20.310 0.458 225 H VAL 32 H VAL 32 -1.833 15.277 3.346 226 HA VAL 32 HA VAL 32 -2.647 12.496 3.022 227 HB VAL 32 HB VAL 32 -0.391 13.596 4.712 228 HG11 VAL 32 HG11 VAL 32 -1.123 11.370 5.372 229 HG12 VAL 32 HG12 VAL 32 0.472 11.310 4.624 230 HG13 VAL 32 HG13 VAL 32 -0.949 10.807 3.708 231 HG21 VAL 32 HG21 VAL 32 1.099 12.946 2.883 232 HG22 VAL 32 HG22 VAL 32 -0.049 14.183 2.369 233 HG23 VAL 32 HG23 VAL 32 -0.295 12.500 1.903 234 H HIS 33 H HIS 33 -4.403 12.005 4.182 235 HA HIS 33 HA HIS 33 -5.013 13.383 6.629 236 HB2 HIS 33 HB2 HIS 33 -6.532 12.122 4.714 237 HB3 HIS 33 HB3 HIS 33 -6.591 10.975 6.051 238 HD1 HIS 33 HD1 HIS 33 -8.144 11.533 7.971 239 HD2 HIS 33 HD2 HIS 33 -7.541 14.741 5.390 240 HE1 HIS 33 HE1 HIS 33 -9.781 13.302 8.687 241 HE2 HIS 33 HE2 HIS 33 -9.255 15.300 7.241 242 H TYR 34 H TYR 34 -3.666 10.309 5.712 243 HA TYR 34 HA TYR 34 -2.481 9.949 8.248 244 HB2 TYR 34 HB2 TYR 34 -3.567 7.752 8.794 245 HB3 TYR 34 HB3 TYR 34 -4.605 9.153 9.012 246 HD1 TYR 34 HD2 TYR 34 -6.453 9.581 7.406 247 HD2 TYR 34 HD1 TYR 34 -4.108 6.036 7.207 248 HE1 TYR 34 HE2 TYR 34 -8.179 8.524 6.013 249 HE2 TYR 34 HE1 TYR 34 -5.832 4.971 5.814 250 HH TYR 34 HH TYR 34 -8.230 5.191 5.370 251 H GLU 35 H GLU 35 -0.779 8.577 8.149 252 HA GLU 35 HA GLU 35 -0.533 6.693 5.948 253 HB2 GLU 35 HB2 GLU 35 1.406 7.593 4.991 254 HB3 GLU 35 HB3 GLU 35 0.386 8.999 5.240 255 HG2 GLU 35 HG2 GLU 35 2.688 8.150 6.993 256 HG3 GLU 35 HG3 GLU 35 2.711 9.450 5.807 257 H ASP 36 H ASP 36 1.365 5.226 6.277 258 HA ASP 36 HA ASP 36 2.997 5.437 8.569 259 HB2 ASP 36 HB2 ASP 36 0.566 4.706 9.413 260 HB3 ASP 36 HB3 ASP 36 1.187 3.114 8.983 261 H ALA 37 H ALA 37 4.072 3.243 9.065 262 HA ALA 37 HA ALA 37 4.250 1.417 6.845 263 HB1 ALA 37 HB1 ALA 37 6.634 3.148 7.501 264 HB2 ALA 37 HB2 ALA 37 5.626 3.324 6.065 265 HB3 ALA 37 HB3 ALA 37 6.568 1.853 6.306 266 H ASP 38 H ASP 38 5.226 -0.514 7.475 267 HA ASP 38 HA ASP 38 6.622 -0.652 10.008 268 HB2 ASP 38 HB2 ASP 38 3.937 -0.834 10.219 269 HB3 ASP 38 HB3 ASP 38 4.329 -2.521 9.903 270 H VAL 39 H VAL 39 6.947 -3.118 10.539 271 HA VAL 39 HA VAL 39 7.865 -4.355 8.037 272 HB VAL 39 HB VAL 39 9.430 -5.625 9.502 273 HG11 VAL 39 HG11 VAL 39 9.645 -2.624 9.649 274 HG12 VAL 39 HG12 VAL 39 10.188 -3.646 8.320 275 HG13 VAL 39 HG13 VAL 39 10.971 -3.760 9.896 276 HG21 VAL 39 HG21 VAL 39 8.206 -5.488 11.595 277 HG22 VAL 39 HG22 VAL 39 8.447 -3.740 11.639 278 HG23 VAL 39 HG23 VAL 39 9.829 -4.825 11.786 279 H GLY 40 H GLY 40 7.968 -6.791 8.137 280 HA2 GLY 40 HA2 GLY 40 7.051 -8.865 8.566 281 HA3 GLY 40 HA3 GLY 40 6.290 -8.178 9.993 282 H LYS 41 H LYS 41 5.988 -8.518 6.498 283 HA LYS 41 HA LYS 41 3.254 -7.638 6.453 284 HB2 LYS 41 HB2 LYS 41 4.943 -7.487 4.546 285 HB3 LYS 41 HB3 LYS 41 4.716 -9.211 4.328 286 HG2 LYS 41 HG2 LYS 41 2.396 -7.315 4.227 287 HG3 LYS 41 HG3 LYS 41 3.418 -7.607 2.820 288 HD2 LYS 41 HD2 LYS 41 2.952 -10.068 3.147 289 HD3 LYS 41 HD3 LYS 41 1.733 -9.593 4.329 290 HE2 LYS 41 HE2 LYS 41 1.799 -8.821 1.414 291 HE3 LYS 41 HE3 LYS 41 0.715 -9.993 2.161 292 HZ1 LYS 41 HZ1 LYS 41 0.795 -7.069 2.658 293 HZ2 LYS 41 HZ2 LYS 41 -0.150 -8.163 3.551 294 HZ3 LYS 41 HZ3 LYS 41 -0.441 -7.945 1.894 295 H ASN 42 H ASN 42 1.964 -8.873 7.713 296 HA ASN 42 HA ASN 42 1.623 -11.685 6.936 297 HB2 ASN 42 HB2 ASN 42 1.779 -10.688 9.793 298 HB3 ASN 42 HB3 ASN 42 1.331 -12.321 9.316 299 HD21 ASN 42 HD21 ASN 42 2.928 -13.682 8.422 300 HD22 ASN 42 HD22 ASN 42 4.609 -13.377 8.700 301 HA PRO 43 HA PRO 43 -2.720 -10.842 6.818 302 HB2 PRO 43 HB2 PRO 43 -3.073 -13.320 8.430 303 HB3 PRO 43 HB3 PRO 43 -3.798 -12.870 6.883 304 HG2 PRO 43 HG2 PRO 43 -1.836 -14.667 6.993 305 HG3 PRO 43 HG3 PRO 43 -1.916 -13.484 5.673 306 HD2 PRO 43 HD2 PRO 43 -0.141 -13.531 8.075 307 HD3 PRO 43 HD3 PRO 43 0.221 -13.021 6.414 308 H ALA 44 H ALA 44 -1.628 -12.159 9.959 309 HA ALA 44 HA ALA 44 -3.681 -11.061 11.518 310 HB1 ALA 44 HB1 ALA 44 -2.189 -12.839 12.299 311 HB2 ALA 44 HB2 ALA 44 -2.243 -11.488 13.431 312 HB3 ALA 44 HB3 ALA 44 -0.855 -11.689 12.361 313 H ALA 45 H ALA 45 -0.602 -9.714 10.482 314 HA ALA 45 HA ALA 45 -0.628 -7.446 12.173 315 HB1 ALA 45 HB1 ALA 45 1.411 -8.272 11.103 316 HB2 ALA 45 HB2 ALA 45 1.124 -6.574 10.720 317 HB3 ALA 45 HB3 ALA 45 0.766 -7.820 9.524 318 H ALA 46 H ALA 46 -1.969 -8.112 9.007 319 HA ALA 46 HA ALA 46 -2.720 -5.360 8.547 320 HB1 ALA 46 HB1 ALA 46 -3.449 -7.852 7.015 321 HB2 ALA 46 HB2 ALA 46 -2.089 -6.784 6.668 322 HB3 ALA 46 HB3 ALA 46 -3.741 -6.193 6.496 323 H THR 47 H THR 47 -4.030 -8.014 10.205 324 HA THR 47 HA THR 47 -6.785 -7.096 9.877 325 HB THR 47 HB THR 47 -5.781 -9.499 11.417 326 HG1 THR 47 HG1 THR 47 -5.334 -9.542 9.108 327 HG21 THR 47 HG21 THR 47 -8.015 -8.777 12.095 328 HG22 THR 47 HG22 THR 47 -8.108 -10.284 11.184 329 HG23 THR 47 HG23 THR 47 -8.538 -8.759 10.411 330 H MET 48 H MET 48 -4.468 -7.754 12.520 331 HA MET 48 HA MET 48 -5.823 -5.758 14.168 332 HB2 MET 48 HB2 MET 48 -5.386 -8.621 15.043 333 HB3 MET 48 HB3 MET 48 -5.851 -7.313 16.119 334 HG2 MET 48 HG2 MET 48 -7.949 -7.054 14.968 335 HG3 MET 48 HG3 MET 48 -7.475 -8.258 13.769 336 HE1 MET 48 HE1 MET 48 -7.347 -11.531 15.918 337 HE2 MET 48 HE2 MET 48 -6.005 -10.431 15.604 338 HE3 MET 48 HE3 MET 48 -7.137 -10.832 14.312 339 H ARG 49 H ARG 49 -3.933 -4.514 13.981 340 HA ARG 49 HA ARG 49 -1.875 -5.091 15.863 341 HB2 ARG 49 HB2 ARG 49 -1.387 -6.478 13.668 342 HB3 ARG 49 HB3 ARG 49 -0.814 -4.935 13.063 343 HG2 ARG 49 HG2 ARG 49 0.225 -6.296 15.544 344 HG3 ARG 49 HG3 ARG 49 0.979 -6.388 13.954 345 HD2 ARG 49 HD2 ARG 49 0.845 -3.748 14.165 346 HD3 ARG 49 HD3 ARG 49 0.859 -4.136 15.883 347 HE ARG 49 HE ARG 49 2.957 -5.472 15.263 348 HH11 ARG 49 HH11 ARG 49 1.937 -2.507 13.736 349 HH12 ARG 49 HH12 ARG 49 3.542 -2.035 13.253 350 HH21 ARG 49 HH21 ARG 49 5.073 -4.886 14.629 351 HH22 ARG 49 HH22 ARG 49 5.324 -3.424 13.713 352 H ASN 50 H ASN 50 -3.358 -2.995 16.001 353 HA ASN 50 HA ASN 50 -3.280 -0.755 16.328 354 HB2 ASN 50 HB2 ASN 50 -0.998 -1.147 17.101 355 HB3 ASN 50 HB3 ASN 50 -0.399 -1.030 15.450 356 HD21 ASN 50 HD21 ASN 50 -1.636 0.716 18.185 357 HD22 ASN 50 HD22 ASN 50 -1.214 2.294 17.625 358 H VAL 51 H VAL 51 -1.017 -0.843 13.599 359 HA VAL 51 HA VAL 51 -2.136 1.335 12.243 360 HB VAL 51 HB VAL 51 -0.561 -0.934 11.010 361 HG11 VAL 51 HG11 VAL 51 -0.860 1.954 10.187 362 HG12 VAL 51 HG12 VAL 51 -1.564 0.560 9.366 363 HG13 VAL 51 HG13 VAL 51 0.187 0.765 9.410 364 HG21 VAL 51 HG21 VAL 51 1.438 0.383 11.501 365 HG22 VAL 51 HG22 VAL 51 0.590 -0.070 12.980 366 HG23 VAL 51 HG23 VAL 51 0.449 1.571 12.350 367 H ALA 52 H ALA 52 -2.902 -2.034 12.237 368 HA ALA 52 HA ALA 52 -4.260 -2.397 9.866 369 HB1 ALA 52 HB1 ALA 52 -4.908 -3.592 12.555 370 HB2 ALA 52 HB2 ALA 52 -3.726 -4.207 11.398 371 HB3 ALA 52 HB3 ALA 52 -5.442 -4.213 10.993 372 H GLY 53 H GLY 53 -5.326 -0.698 12.742 373 HA2 GLY 53 HA2 GLY 53 -8.097 -0.682 12.210 374 HA3 GLY 53 HA3 GLY 53 -7.232 0.505 13.177 375 H GLU 54 H GLU 54 -5.513 1.528 11.252 376 HA GLU 54 HA GLU 54 -7.168 3.465 10.035 377 HB2 GLU 54 HB2 GLU 54 -4.261 2.793 9.540 378 HB3 GLU 54 HB3 GLU 54 -5.073 4.228 8.931 379 HG2 GLU 54 HG2 GLU 54 -4.688 3.536 11.836 380 HG3 GLU 54 HG3 GLU 54 -3.726 4.689 10.914 381 H ILE 55 H ILE 55 -5.393 0.684 8.717 382 HA ILE 55 HA ILE 55 -6.135 1.265 6.030 383 HB ILE 55 HB ILE 55 -5.247 -0.996 5.519 384 HG12 ILE 55 HG12 ILE 55 -4.602 -1.061 8.471 385 HG13 ILE 55 HG13 ILE 55 -5.790 -2.081 7.665 386 HG21 ILE 55 HG21 ILE 55 -2.911 -0.424 6.022 387 HG22 ILE 55 HG22 ILE 55 -3.472 0.813 7.147 388 HG23 ILE 55 HG23 ILE 55 -3.823 0.964 5.425 389 HD11 ILE 55 HD11 ILE 55 -4.029 -3.124 6.357 390 HD12 ILE 55 HD12 ILE 55 -3.704 -3.267 8.086 391 HD13 ILE 55 HD13 ILE 55 -2.831 -2.077 7.120 392 H ALA 56 H ALA 56 -7.450 -0.800 8.555 393 HA ALA 56 HA ALA 56 -9.317 -2.205 6.997 394 HB1 ALA 56 HB1 ALA 56 -8.788 -2.757 9.348 395 HB2 ALA 56 HB2 ALA 56 -10.521 -2.610 9.057 396 HB3 ALA 56 HB3 ALA 56 -9.649 -1.303 9.857 397 H ALA 57 H ALA 57 -9.512 0.935 8.622 398 HA ALA 57 HA ALA 57 -12.190 1.506 7.920 399 HB1 ALA 57 HB1 ALA 57 -10.939 2.688 9.690 400 HB2 ALA 57 HB2 ALA 57 -11.691 3.786 8.533 401 HB3 ALA 57 HB3 ALA 57 -9.960 3.465 8.444 402 H ALA 58 H ALA 58 -9.108 2.092 6.321 403 HA ALA 58 HA ALA 58 -10.135 3.658 4.187 404 HB1 ALA 58 HB1 ALA 58 -7.992 3.236 3.103 405 HB2 ALA 58 HB2 ALA 58 -7.632 1.978 4.286 406 HB3 ALA 58 HB3 ALA 58 -7.768 3.659 4.800 407 H LEU 59 H LEU 59 -9.756 0.213 4.711 408 HA LEU 59 HA LEU 59 -10.178 -0.681 2.088 409 HB2 LEU 59 HB2 LEU 59 -9.384 -2.073 3.988 410 HB3 LEU 59 HB3 LEU 59 -11.002 -2.037 4.656 411 HG LEU 59 HG LEU 59 -11.842 -3.217 2.656 412 HD11 LEU 59 HD11 LEU 59 -10.222 -4.243 1.115 413 HD12 LEU 59 HD12 LEU 59 -8.929 -3.331 1.895 414 HD13 LEU 59 HD13 LEU 59 -10.208 -2.481 1.030 415 HD21 LEU 59 HD21 LEU 59 -11.225 -4.490 4.630 416 HD22 LEU 59 HD22 LEU 59 -9.555 -4.576 4.070 417 HD23 LEU 59 HD23 LEU 59 -10.830 -5.389 3.164 418 H TYR 60 H TYR 60 -12.420 0.230 4.644 419 HA TYR 60 HA TYR 60 -14.808 -0.606 3.436 420 HB2 TYR 60 HB2 TYR 60 -14.290 1.738 5.277 421 HB3 TYR 60 HB3 TYR 60 -15.894 1.195 4.807 422 HD1 TYR 60 HD1 TYR 60 -15.905 -1.631 5.055 423 HD2 TYR 60 HD2 TYR 60 -13.854 1.206 7.473 424 HE1 TYR 60 HE1 TYR 60 -15.938 -3.217 6.933 425 HE2 TYR 60 HE2 TYR 60 -13.882 -0.372 9.358 426 HH TYR 60 HH TYR 60 -14.650 -3.648 9.005 427 H ALA 61 H ALA 61 -12.871 2.290 2.991 428 HA ALA 61 HA ALA 61 -14.760 3.723 1.432 429 HB1 ALA 61 HB1 ALA 61 -12.895 5.166 0.822 430 HB2 ALA 61 HB2 ALA 61 -11.752 3.988 1.468 431 HB3 ALA 61 HB3 ALA 61 -12.871 4.817 2.550 432 H VAL 62 H VAL 62 -12.219 1.415 0.670 433 HA VAL 62 HA VAL 62 -12.417 1.687 -2.167 434 HB VAL 62 HB VAL 62 -11.374 -0.674 -0.584 435 HG11 VAL 62 HG11 VAL 62 -10.060 -1.144 -2.612 436 HG12 VAL 62 HG12 VAL 62 -10.881 0.183 -3.436 437 HG13 VAL 62 HG13 VAL 62 -11.795 -1.230 -2.910 438 HG21 VAL 62 HG21 VAL 62 -9.165 0.330 -0.860 439 HG22 VAL 62 HG22 VAL 62 -10.238 1.392 0.053 440 HG23 VAL 62 HG23 VAL 62 -9.896 1.731 -1.644 441 H LYS 63 H LYS 63 -13.895 -0.371 0.257 442 HA LYS 63 HA LYS 63 -15.261 -2.139 -1.452 443 HB2 LYS 63 HB2 LYS 63 -14.875 -2.298 1.071 444 HB3 LYS 63 HB3 LYS 63 -16.224 -1.190 1.253 445 HG2 LYS 63 HG2 LYS 63 -16.516 -3.772 -0.241 446 HG3 LYS 63 HG3 LYS 63 -16.655 -3.702 1.516 447 HD2 LYS 63 HD2 LYS 63 -18.440 -2.006 1.263 448 HD3 LYS 63 HD3 LYS 63 -18.334 -2.195 -0.487 449 HE2 LYS 63 HE2 LYS 63 -19.079 -4.337 1.502 450 HE3 LYS 63 HE3 LYS 63 -20.181 -3.495 0.417 451 HZ1 LYS 63 HZ1 LYS 63 -18.060 -5.440 -0.283 452 HZ2 LYS 63 HZ2 LYS 63 -18.758 -4.418 -1.441 453 HZ3 LYS 63 HZ3 LYS 63 -19.722 -5.534 -0.604 454 H LYS 64 H LYS 64 -16.007 1.089 -0.287 455 HA LYS 64 HA LYS 64 -18.647 1.199 -1.372 456 HB2 LYS 64 HB2 LYS 64 -16.733 3.445 -0.717 457 HB3 LYS 64 HB3 LYS 64 -18.448 3.629 -1.050 458 HG2 LYS 64 HG2 LYS 64 -19.006 2.391 0.947 459 HG3 LYS 64 HG3 LYS 64 -17.293 2.086 1.260 460 HD2 LYS 64 HD2 LYS 64 -16.947 4.552 1.368 461 HD3 LYS 64 HD3 LYS 64 -18.694 4.754 1.238 462 HE2 LYS 64 HE2 LYS 64 -19.013 3.510 3.300 463 HE3 LYS 64 HE3 LYS 64 -17.274 3.240 3.426 464 HZ1 LYS 64 HZ1 LYS 64 -16.990 5.672 3.549 465 HZ2 LYS 64 HZ2 LYS 64 -17.902 5.056 4.838 466 HZ3 LYS 64 HZ3 LYS 64 -18.677 5.857 3.557 467 H ALA 65 H ALA 65 -15.430 1.980 -2.520 468 HA ALA 65 HA ALA 65 -16.044 3.628 -4.670 469 HB1 ALA 65 HB1 ALA 65 -13.797 3.375 -3.751 470 HB2 ALA 65 HB2 ALA 65 -13.812 3.127 -5.496 471 HB3 ALA 65 HB3 ALA 65 -13.710 1.742 -4.411 472 H SER 66 H SER 66 -15.705 0.084 -4.605 473 HA SER 66 HA SER 66 -15.881 -0.296 -7.385 474 HB2 SER 66 HB2 SER 66 -16.603 -2.661 -6.699 475 HB3 SER 66 HB3 SER 66 -15.034 -2.105 -6.116 476 HG SER 66 HG SER 66 -16.080 -2.994 -4.386 477 H GLN 67 H GLN 67 -18.353 -0.006 -4.903 478 HA GLN 67 HA GLN 67 -20.493 -0.681 -6.704 479 HB2 GLN 67 HB2 GLN 67 -20.493 0.435 -3.897 480 HB3 GLN 67 HB3 GLN 67 -21.908 -0.128 -4.762 481 HG2 GLN 67 HG2 GLN 67 -21.033 -2.375 -4.828 482 HG3 GLN 67 HG3 GLN 67 -19.536 -1.834 -4.071 483 HE21 GLN 67 HE21 GLN 67 -19.522 -1.312 -1.900 484 HE22 GLN 67 HE22 GLN 67 -20.803 -1.776 -0.827 485 H LEU 68 H LEU 68 -18.879 2.169 -5.552 486 HA LEU 68 HA LEU 68 -20.920 4.025 -6.322 487 HB2 LEU 68 HB2 LEU 68 -19.261 4.470 -4.537 488 HB3 LEU 68 HB3 LEU 68 -17.990 4.482 -5.743 489 HG LEU 68 HG LEU 68 -19.074 6.453 -6.807 490 HD11 LEU 68 HD11 LEU 68 -20.785 7.675 -5.568 491 HD12 LEU 68 HD12 LEU 68 -20.851 6.382 -4.371 492 HD13 LEU 68 HD13 LEU 68 -21.355 6.072 -6.033 493 HD21 LEU 68 HD21 LEU 68 -17.228 6.705 -5.212 494 HD22 LEU 68 HD22 LEU 68 -18.388 6.795 -3.887 495 HD23 LEU 68 HD23 LEU 68 -18.360 8.053 -5.121 496 H GLY 69 H GLY 69 -18.387 2.367 -7.929 497 HA2 GLY 69 HA2 GLY 69 -18.105 2.221 -10.245 498 HA3 GLY 69 HA3 GLY 69 -19.132 3.637 -10.437 499 H VAL 70 H VAL 70 -16.373 3.445 -8.278 500 HA VAL 70 HA VAL 70 -14.866 5.177 -10.114 501 HB VAL 70 HB VAL 70 -14.002 6.474 -8.198 502 HG11 VAL 70 HG11 VAL 70 -15.856 7.378 -9.475 503 HG12 VAL 70 HG12 VAL 70 -16.025 7.803 -7.772 504 HG13 VAL 70 HG13 VAL 70 -17.006 6.508 -8.459 505 HG21 VAL 70 HG21 VAL 70 -16.057 4.951 -6.604 506 HG22 VAL 70 HG22 VAL 70 -15.154 6.351 -6.026 507 HG23 VAL 70 HG23 VAL 70 -14.305 4.857 -6.425 508 H LYS 71 H LYS 71 -12.528 5.338 -9.364 509 HA LYS 71 HA LYS 71 -11.505 3.042 -7.934 510 HB2 LYS 71 HB2 LYS 71 -10.080 2.278 -9.768 511 HB3 LYS 71 HB3 LYS 71 -11.772 2.173 -10.236 512 HG2 LYS 71 HG2 LYS 71 -11.603 4.143 -11.573 513 HG3 LYS 71 HG3 LYS 71 -9.977 4.471 -10.973 514 HD2 LYS 71 HD2 LYS 71 -9.841 3.531 -13.185 515 HD3 LYS 71 HD3 LYS 71 -9.210 2.367 -12.021 516 HE2 LYS 71 HE2 LYS 71 -11.245 1.096 -12.108 517 HE3 LYS 71 HE3 LYS 71 -12.017 2.321 -13.115 518 HZ1 LYS 71 HZ1 LYS 71 -9.627 0.758 -13.931 519 HZ2 LYS 71 HZ2 LYS 71 -10.524 1.817 -14.899 520 HZ3 LYS 71 HZ3 LYS 71 -11.216 0.364 -14.370 521 H ILE 72 H ILE 72 -8.957 3.191 -8.107 522 HA ILE 72 HA ILE 72 -8.231 6.040 -8.050 523 HB ILE 72 HB ILE 72 -6.253 5.380 -6.729 524 HG12 ILE 72 HG12 ILE 72 -6.652 2.963 -5.631 525 HG13 ILE 72 HG13 ILE 72 -7.335 2.650 -7.222 526 HG21 ILE 72 HG21 ILE 72 -8.873 4.451 -5.562 527 HG22 ILE 72 HG22 ILE 72 -8.274 6.110 -5.598 528 HG23 ILE 72 HG23 ILE 72 -7.434 4.890 -4.643 529 HD11 ILE 72 HD11 ILE 72 -5.221 3.331 -8.251 530 HD12 ILE 72 HD12 ILE 72 -5.013 1.985 -7.130 531 HD13 ILE 72 HD13 ILE 72 -4.542 3.614 -6.648 532 H ARG 73 H ARG 73 -6.404 6.726 -9.241 533 HA ARG 73 HA ARG 73 -5.955 5.057 -11.560 534 HB2 ARG 73 HB2 ARG 73 -5.087 7.874 -10.932 535 HB3 ARG 73 HB3 ARG 73 -4.686 7.036 -12.428 536 HG2 ARG 73 HG2 ARG 73 -7.185 6.695 -12.728 537 HG3 ARG 73 HG3 ARG 73 -7.388 7.870 -11.429 538 HD2 ARG 73 HD2 ARG 73 -7.541 8.970 -13.577 539 HD3 ARG 73 HD3 ARG 73 -6.090 9.502 -12.724 540 HE ARG 73 HE ARG 73 -5.752 7.307 -14.606 541 HH11 ARG 73 HH11 ARG 73 -5.542 10.758 -14.013 542 HH12 ARG 73 HH12 ARG 73 -4.456 11.054 -15.337 543 HH21 ARG 73 HH21 ARG 73 -4.308 7.675 -16.343 544 HH22 ARG 73 HH22 ARG 73 -3.738 9.290 -16.666 545 H ILE 74 H ILE 74 -4.512 3.595 -11.542 546 HA ILE 74 HA ILE 74 -2.602 3.339 -9.473 547 HB ILE 74 HB ILE 74 -1.917 1.292 -10.650 548 HG12 ILE 74 HG12 ILE 74 -3.888 2.172 -12.778 549 HG13 ILE 74 HG13 ILE 74 -2.137 2.168 -12.960 550 HG21 ILE 74 HG21 ILE 74 -3.866 1.277 -9.172 551 HG22 ILE 74 HG22 ILE 74 -4.063 0.135 -10.502 552 HG23 ILE 74 HG23 ILE 74 -4.909 1.682 -10.535 553 HD11 ILE 74 HD11 ILE 74 -3.877 -0.250 -12.531 554 HD12 ILE 74 HD12 ILE 74 -2.121 -0.260 -12.700 555 HD13 ILE 74 HD13 ILE 74 -3.134 0.250 -14.051 556 H LEU 75 H LEU 75 -0.454 3.609 -9.436 557 HA LEU 75 HA LEU 75 0.800 4.952 -11.713 558 HB2 LEU 75 HB2 LEU 75 0.920 5.966 -9.431 559 HB3 LEU 75 HB3 LEU 75 1.835 4.568 -8.899 560 HG LEU 75 HG LEU 75 3.605 5.155 -10.556 561 HD11 LEU 75 HD11 LEU 75 2.281 6.412 -12.134 562 HD12 LEU 75 HD12 LEU 75 3.588 7.420 -11.508 563 HD13 LEU 75 HD13 LEU 75 1.940 7.639 -10.916 564 HD21 LEU 75 HD21 LEU 75 4.487 7.060 -9.283 565 HD22 LEU 75 HD22 LEU 75 3.838 5.800 -8.234 566 HD23 LEU 75 HD23 LEU 75 2.907 7.270 -8.526 567 H HIS 76 H HIS 76 0.508 2.562 -12.578 568 HA HIS 76 HA HIS 76 3.097 1.474 -12.852 569 HB2 HIS 76 HB2 HIS 76 2.978 -0.582 -11.701 570 HB3 HIS 76 HB3 HIS 76 2.452 0.627 -10.538 571 HD1 HIS 76 HD1 HIS 76 1.572 -2.598 -11.816 572 HD2 HIS 76 HD2 HIS 76 -0.552 0.696 -10.407 573 HE1 HIS 76 HE1 HIS 76 -0.727 -3.460 -11.241 574 HE2 HIS 76 HE2 HIS 76 -2.026 -1.432 -10.479 575 H ASP 77 H ASP 77 2.951 -0.739 -14.049 576 HA ASP 77 HA ASP 77 0.927 -0.355 -16.103 577 HB2 ASP 77 HB2 ASP 77 3.363 -2.145 -16.012 578 HB3 ASP 77 HB3 ASP 77 2.236 -2.079 -17.362 579 H TYR 78 H TYR 78 2.283 -3.462 -14.968 580 HA TYR 78 HA TYR 78 -0.200 -4.444 -13.994 581 HB2 TYR 78 HB2 TYR 78 -0.716 -6.011 -15.863 582 HB3 TYR 78 HB3 TYR 78 -0.930 -4.316 -16.286 583 HD1 TYR 78 HD1 TYR 78 1.108 -7.326 -16.846 584 HD2 TYR 78 HD2 TYR 78 0.505 -3.250 -17.912 585 HE1 TYR 78 HE1 TYR 78 2.582 -7.622 -18.792 586 HE2 TYR 78 HE2 TYR 78 1.975 -3.537 -19.861 587 HH TYR 78 HH TYR 78 3.871 -5.054 -20.525 588 H ALA 79 H ALA 79 3.101 -4.787 -14.497 589 HA ALA 79 HA ALA 79 3.241 -7.652 -14.541 590 HB1 ALA 79 HB1 ALA 79 4.968 -6.326 -15.601 591 HB2 ALA 79 HB2 ALA 79 5.663 -7.331 -14.328 592 HB3 ALA 79 HB3 ALA 79 5.399 -5.610 -14.048 593 H GLY 80 H GLY 80 3.094 -5.269 -12.040 594 HA2 GLY 80 HA2 GLY 80 4.501 -6.596 -10.005 595 HA3 GLY 80 HA3 GLY 80 3.258 -5.382 -9.760 596 H ILE 81 H ILE 81 1.295 -7.197 -11.232 597 HA ILE 81 HA ILE 81 0.186 -8.306 -8.877 598 HB ILE 81 HB ILE 81 -1.191 -7.575 -10.805 599 HG12 ILE 81 HG12 ILE 81 -1.556 -10.470 -9.988 600 HG13 ILE 81 HG13 ILE 81 -2.120 -9.067 -9.090 601 HG21 ILE 81 HG21 ILE 81 -1.470 -9.106 -12.722 602 HG22 ILE 81 HG22 ILE 81 -0.126 -10.074 -12.116 603 HG23 ILE 81 HG23 ILE 81 0.147 -8.411 -12.634 604 HD11 ILE 81 HD11 ILE 81 -3.061 -9.942 -11.806 605 HD12 ILE 81 HD12 ILE 81 -3.602 -8.494 -10.958 606 HD13 ILE 81 HD13 ILE 81 -3.942 -10.088 -10.285 607 H ALA 82 H ALA 82 2.440 -9.533 -11.163 608 HA ALA 82 HA ALA 82 1.977 -12.306 -10.820 609 HB1 ALA 82 HB1 ALA 82 4.212 -12.596 -11.762 610 HB2 ALA 82 HB2 ALA 82 4.521 -10.870 -11.567 611 HB3 ALA 82 HB3 ALA 82 3.273 -11.423 -12.685 612 H PHE 83 H PHE 83 3.775 -9.913 -9.018 613 HA PHE 83 HA PHE 83 5.062 -11.864 -7.320 614 HB2 PHE 83 HB2 PHE 83 4.891 -8.852 -7.087 615 HB3 PHE 83 HB3 PHE 83 5.906 -9.893 -6.094 616 HD1 PHE 83 HD1 PHE 83 7.750 -11.187 -7.182 617 HD2 PHE 83 HD2 PHE 83 5.585 -8.137 -9.216 618 HE1 PHE 83 HE1 PHE 83 9.549 -11.027 -8.849 619 HE2 PHE 83 HE2 PHE 83 7.386 -7.970 -10.887 620 HZ PHE 83 HZ PHE 83 9.370 -9.418 -10.707 621 H TRP 84 H TRP 84 2.135 -10.083 -7.412 622 HA TRP 84 HA TRP 84 1.434 -10.357 -4.655 623 HB2 TRP 84 HB2 TRP 84 -0.168 -9.793 -7.151 624 HB3 TRP 84 HB3 TRP 84 -0.926 -9.948 -5.573 625 HD1 TRP 84 HD1 TRP 84 2.371 -8.044 -6.238 626 HE1 TRP 84 HE1 TRP 84 2.002 -5.574 -5.620 627 HE3 TRP 84 HE3 TRP 84 -2.632 -8.207 -5.212 628 HZ2 TRP 84 HZ2 TRP 84 -0.133 -3.910 -4.811 629 HZ3 TRP 84 HZ3 TRP 84 -3.766 -6.133 -4.530 630 HH2 TRP 84 HH2 TRP 84 -2.542 -4.030 -4.332 631 H ALA 85 H ALA 85 1.029 -12.249 -7.564 632 HA ALA 85 HA ALA 85 -0.928 -14.047 -6.706 633 HB1 ALA 85 HB1 ALA 85 1.288 -14.566 -8.681 634 HB2 ALA 85 HB2 ALA 85 -0.235 -13.754 -9.048 635 HB3 ALA 85 HB3 ALA 85 -0.235 -15.446 -8.550 636 H THR 86 H THR 86 2.626 -14.412 -6.655 637 HA THR 86 HA THR 86 2.285 -16.272 -4.439 638 HB THR 86 HB THR 86 2.362 -17.708 -6.420 639 HG1 THR 86 HG1 THR 86 4.864 -17.984 -5.092 640 HG21 THR 86 HG21 THR 86 3.676 -16.273 -7.911 641 HG22 THR 86 HG22 THR 86 4.382 -17.885 -7.790 642 HG23 THR 86 HG23 THR 86 5.107 -16.538 -6.912 643 H GLY 87 H GLY 87 4.635 -14.498 -6.459 644 HA2 GLY 87 HA2 GLY 87 5.899 -12.799 -5.148 645 HA3 GLY 87 HA3 GLY 87 6.184 -14.079 -3.980 646 H GLU 88 H GLU 88 6.897 -16.197 -5.584 647 HA GLU 88 HA GLU 88 9.616 -15.685 -5.978 648 HB2 GLU 88 HB2 GLU 88 8.016 -17.936 -7.198 649 HB3 GLU 88 HB3 GLU 88 9.756 -17.899 -6.984 650 HG2 GLU 88 HG2 GLU 88 9.268 -19.109 -5.165 651 HG3 GLU 88 HG3 GLU 88 8.997 -17.522 -4.449 652 H TRP 89 H TRP 89 7.082 -16.160 -8.426 653 HA TRP 89 HA TRP 89 8.451 -14.438 -10.271 654 HB2 TRP 89 HB2 TRP 89 8.428 -16.343 -12.048 655 HB3 TRP 89 HB3 TRP 89 9.751 -16.275 -10.891 656 HD1 TRP 89 HD1 TRP 89 6.338 -18.120 -11.220 657 HE1 TRP 89 HE1 TRP 89 6.616 -20.479 -10.214 658 HE3 TRP 89 HE3 TRP 89 11.191 -17.756 -9.632 659 HZ2 TRP 89 HZ2 TRP 89 8.635 -21.981 -8.936 660 HZ3 TRP 89 HZ3 TRP 89 12.217 -19.703 -8.527 661 HH2 TRP 89 HH2 TRP 89 10.966 -21.766 -8.187 662 H LYS 90 H LYS 90 7.260 -14.917 -12.572 663 HA LYS 90 HA LYS 90 4.533 -14.175 -12.125 664 HB2 LYS 90 HB2 LYS 90 5.986 -14.823 -14.704 665 HB3 LYS 90 HB3 LYS 90 4.396 -14.078 -14.592 666 HG2 LYS 90 HG2 LYS 90 5.374 -12.144 -13.478 667 HG3 LYS 90 HG3 LYS 90 6.968 -12.896 -13.563 668 HD2 LYS 90 HD2 LYS 90 5.274 -12.238 -15.970 669 HD3 LYS 90 HD3 LYS 90 6.530 -11.181 -15.325 670 HE2 LYS 90 HE2 LYS 90 8.179 -12.987 -15.662 671 HE3 LYS 90 HE3 LYS 90 6.913 -13.980 -16.379 672 HZ1 LYS 90 HZ1 LYS 90 8.316 -12.808 -18.025 673 HZ2 LYS 90 HZ2 LYS 90 7.742 -11.327 -17.425 674 HZ3 LYS 90 HZ3 LYS 90 6.670 -12.418 -18.155 675 H ALA 91 H ALA 91 2.753 -15.309 -13.396 676 HA ALA 91 HA ALA 91 2.404 -17.872 -12.332 677 HB1 ALA 91 HB1 ALA 91 0.928 -16.607 -14.635 678 HB2 ALA 91 HB2 ALA 91 0.552 -16.392 -12.926 679 HB3 ALA 91 HB3 ALA 91 0.379 -17.980 -13.674 680 H LYS 92 H LYS 92 3.984 -19.284 -12.850 681 HA LYS 92 HA LYS 92 4.616 -19.869 -15.628 682 HB2 LYS 92 HB2 LYS 92 6.453 -19.746 -14.034 683 HB3 LYS 92 HB3 LYS 92 5.690 -20.957 -13.018 684 HG2 LYS 92 HG2 LYS 92 5.923 -22.569 -14.920 685 HG3 LYS 92 HG3 LYS 92 6.897 -21.353 -15.744 686 HD2 LYS 92 HD2 LYS 92 8.317 -22.965 -14.582 687 HD3 LYS 92 HD3 LYS 92 8.480 -21.360 -13.868 688 HE2 LYS 92 HE2 LYS 92 7.038 -21.970 -12.045 689 HE3 LYS 92 HE3 LYS 92 6.680 -23.525 -12.791 690 HZ1 LYS 92 HZ1 LYS 92 8.961 -24.182 -12.501 691 HZ2 LYS 92 HZ2 LYS 92 8.328 -23.690 -11.004 692 HZ3 LYS 92 HZ3 LYS 92 9.368 -22.663 -11.867 693 H ASN 93 H ASN 93 3.337 -21.514 -12.770 694 HA ASN 93 HA ASN 93 2.726 -23.896 -14.288 695 HB2 ASN 93 HB2 ASN 93 2.303 -23.166 -11.392 696 HB3 ASN 93 HB3 ASN 93 1.811 -24.704 -12.088 697 HD21 ASN 93 HD21 ASN 93 4.071 -24.952 -13.851 698 HD22 ASN 93 HD22 ASN 93 5.434 -25.325 -12.845 699 H GLU 94 H GLU 94 0.654 -24.788 -14.466 700 HA GLU 94 HA GLU 94 -1.221 -22.885 -15.410 701 HB2 GLU 94 HB2 GLU 94 -1.511 -25.858 -14.964 702 HB3 GLU 94 HB3 GLU 94 -2.616 -24.856 -15.900 703 HG2 GLU 94 HG2 GLU 94 -0.936 -24.393 -17.524 704 HG3 GLU 94 HG3 GLU 94 0.304 -25.168 -16.540 705 H PHE 95 H PHE 95 -1.100 -24.908 -12.510 706 HA PHE 95 HA PHE 95 -3.663 -24.072 -11.573 707 HB2 PHE 95 HB2 PHE 95 -2.958 -25.070 -9.409 708 HB3 PHE 95 HB3 PHE 95 -2.763 -26.153 -10.774 709 HD1 PHE 95 HD2 PHE 95 -0.560 -26.810 -11.550 710 HD2 PHE 95 HD1 PHE 95 -1.038 -24.239 -8.189 711 HE1 PHE 95 HE2 PHE 95 1.776 -27.224 -10.903 712 HE2 PHE 95 HE1 PHE 95 1.298 -24.657 -7.533 713 HZ PHE 95 HZ PHE 95 2.708 -26.150 -8.893 714 H THR 96 H THR 96 -0.391 -22.929 -11.197 715 HA THR 96 HA THR 96 -0.850 -20.963 -9.236 716 HB THR 96 HB THR 96 1.142 -20.790 -11.508 717 HG1 THR 96 HG1 THR 96 1.637 -21.896 -8.939 718 HG21 THR 96 HG21 THR 96 1.170 -19.648 -8.708 719 HG22 THR 96 HG22 THR 96 0.895 -18.736 -10.193 720 HG23 THR 96 HG23 THR 96 2.462 -19.491 -9.899 721 H GLN 97 H GLN 97 -1.201 -20.938 -12.755 722 HA GLN 97 HA GLN 97 -1.779 -18.236 -13.121 723 HB2 GLN 97 HB2 GLN 97 -2.555 -20.730 -14.614 724 HB3 GLN 97 HB3 GLN 97 -3.043 -19.137 -15.151 725 HG2 GLN 97 HG2 GLN 97 -0.699 -18.469 -15.316 726 HG3 GLN 97 HG3 GLN 97 -0.214 -20.082 -14.790 727 HE21 GLN 97 HE21 GLN 97 -1.617 -18.199 -17.358 728 HE22 GLN 97 HE22 GLN 97 -1.450 -19.394 -18.602 729 H ALA 98 H ALA 98 -3.814 -20.931 -12.152 730 HA ALA 98 HA ALA 98 -6.273 -19.493 -12.284 731 HB1 ALA 98 HB1 ALA 98 -6.162 -21.952 -12.381 732 HB2 ALA 98 HB2 ALA 98 -7.236 -21.374 -11.107 733 HB3 ALA 98 HB3 ALA 98 -5.627 -21.976 -10.700 734 H TYR 99 H TYR 99 -4.040 -20.351 -9.661 735 HA TYR 99 HA TYR 99 -5.444 -19.097 -7.574 736 HB2 TYR 99 HB2 TYR 99 -3.568 -20.708 -7.267 737 HB3 TYR 99 HB3 TYR 99 -2.448 -19.463 -7.810 738 HD1 TYR 99 HD2 TYR 99 -4.993 -20.192 -5.197 739 HD2 TYR 99 HD1 TYR 99 -1.529 -17.955 -6.258 740 HE1 TYR 99 HE2 TYR 99 -4.821 -19.376 -2.886 741 HE2 TYR 99 HE1 TYR 99 -1.351 -17.133 -3.946 742 HH TYR 99 HH TYR 99 -3.083 -18.496 -1.371 743 H ALA 100 H ALA 100 -3.114 -17.886 -9.910 744 HA ALA 100 HA ALA 100 -2.713 -15.327 -8.826 745 HB1 ALA 100 HB1 ALA 100 -1.921 -14.693 -11.020 746 HB2 ALA 100 HB2 ALA 100 -2.696 -16.103 -11.740 747 HB3 ALA 100 HB3 ALA 100 -1.342 -16.313 -10.629 748 H LYS 101 H LYS 101 -5.230 -16.634 -10.911 749 HA LYS 101 HA LYS 101 -6.447 -14.079 -11.378 750 HB2 LYS 101 HB2 LYS 101 -6.600 -16.253 -12.816 751 HB3 LYS 101 HB3 LYS 101 -7.910 -16.677 -11.718 752 HG2 LYS 101 HG2 LYS 101 -9.043 -14.572 -12.295 753 HG3 LYS 101 HG3 LYS 101 -7.750 -14.208 -13.437 754 HD2 LYS 101 HD2 LYS 101 -8.316 -16.393 -14.572 755 HD3 LYS 101 HD3 LYS 101 -9.756 -16.451 -13.554 756 HE2 LYS 101 HE2 LYS 101 -9.030 -14.295 -15.532 757 HE3 LYS 101 HE3 LYS 101 -10.306 -15.497 -15.711 758 HZ1 LYS 101 HZ1 LYS 101 -10.220 -13.425 -13.582 759 HZ2 LYS 101 HZ2 LYS 101 -11.485 -14.520 -13.872 760 HZ3 LYS 101 HZ3 LYS 101 -11.131 -13.310 -15.007 761 H LEU 102 H LEU 102 -6.629 -16.524 -8.948 762 HA LEU 102 HA LEU 102 -9.083 -15.711 -7.762 763 HB2 LEU 102 HB2 LEU 102 -8.030 -17.890 -7.296 764 HB3 LEU 102 HB3 LEU 102 -6.683 -17.075 -6.525 765 HG LEU 102 HG LEU 102 -8.243 -16.207 -4.793 766 HD11 LEU 102 HD11 LEU 102 -10.469 -17.242 -4.602 767 HD12 LEU 102 HD12 LEU 102 -10.237 -17.994 -6.182 768 HD13 LEU 102 HD13 LEU 102 -10.311 -16.237 -6.042 769 HD21 LEU 102 HD21 LEU 102 -8.546 -18.357 -3.636 770 HD22 LEU 102 HD22 LEU 102 -6.944 -18.201 -4.356 771 HD23 LEU 102 HD23 LEU 102 -8.167 -19.203 -5.137 772 H MET 103 H MET 103 -5.714 -14.761 -7.378 773 HA MET 103 HA MET 103 -6.243 -12.807 -5.350 774 HB2 MET 103 HB2 MET 103 -3.904 -13.077 -7.254 775 HB3 MET 103 HB3 MET 103 -3.958 -12.007 -5.859 776 HG2 MET 103 HG2 MET 103 -4.158 -15.009 -5.741 777 HG3 MET 103 HG3 MET 103 -2.689 -14.078 -5.453 778 HE1 MET 103 HE1 MET 103 -3.508 -12.147 -2.183 779 HE2 MET 103 HE2 MET 103 -3.652 -11.580 -3.847 780 HE3 MET 103 HE3 MET 103 -2.268 -12.562 -3.367 781 H ASN 104 H ASN 104 -6.374 -12.926 -8.788 782 HA ASN 104 HA ASN 104 -5.963 -10.237 -9.457 783 HB2 ASN 104 HB2 ASN 104 -5.877 -12.130 -11.041 784 HB3 ASN 104 HB3 ASN 104 -7.620 -12.284 -10.935 785 HD21 ASN 104 HD21 ASN 104 -8.924 -10.839 -12.005 786 HD22 ASN 104 HD22 ASN 104 -8.313 -9.681 -13.134 787 H GLN 105 H GLN 105 -8.857 -11.901 -8.395 788 HA GLN 105 HA GLN 105 -10.731 -10.031 -9.314 789 HB2 GLN 105 HB2 GLN 105 -12.216 -11.001 -7.521 790 HB3 GLN 105 HB3 GLN 105 -11.569 -12.132 -8.685 791 HG2 GLN 105 HG2 GLN 105 -11.424 -13.217 -6.637 792 HG3 GLN 105 HG3 GLN 105 -9.789 -12.660 -6.970 793 HE21 GLN 105 HE21 GLN 105 -9.198 -12.742 -4.840 794 HE22 GLN 105 HE22 GLN 105 -9.761 -11.602 -3.664 795 H TYR 106 H TYR 106 -8.505 -9.819 -6.732 796 HA TYR 106 HA TYR 106 -9.912 -7.760 -5.288 797 HB2 TYR 106 HB2 TYR 106 -8.257 -9.319 -4.230 798 HB3 TYR 106 HB3 TYR 106 -6.986 -8.523 -5.147 799 HD1 TYR 106 HD2 TYR 106 -9.583 -7.942 -2.562 800 HD2 TYR 106 HD1 TYR 106 -5.964 -6.564 -4.326 801 HE1 TYR 106 HE2 TYR 106 -9.329 -6.304 -0.746 802 HE2 TYR 106 HE1 TYR 106 -5.701 -4.921 -2.514 803 HH TYR 106 HH TYR 106 -7.099 -3.750 -0.874 804 H ARG 107 H ARG 107 -7.749 -7.992 -7.947 805 HA ARG 107 HA ARG 107 -6.924 -5.233 -7.951 806 HB2 ARG 107 HB2 ARG 107 -5.419 -6.909 -8.839 807 HB3 ARG 107 HB3 ARG 107 -6.638 -7.466 -9.975 808 HG2 ARG 107 HG2 ARG 107 -6.538 -5.266 -11.096 809 HG3 ARG 107 HG3 ARG 107 -5.237 -4.801 -9.997 810 HD2 ARG 107 HD2 ARG 107 -3.847 -6.596 -10.827 811 HD3 ARG 107 HD3 ARG 107 -5.161 -7.181 -11.848 812 HE ARG 107 HE ARG 107 -4.459 -4.456 -12.402 813 HH11 ARG 107 HH11 ARG 107 -3.611 -7.790 -13.035 814 HH12 ARG 107 HH12 ARG 107 -2.885 -7.454 -14.576 815 HH21 ARG 107 HH21 ARG 107 -3.482 -3.993 -14.403 816 HH22 ARG 107 HH22 ARG 107 -2.791 -5.277 -15.345 817 H GLY 108 H GLY 108 -7.684 -3.613 -9.254 818 HA2 GLY 108 HA2 GLY 108 -9.102 -3.478 -11.475 819 HA3 GLY 108 HA3 GLY 108 -10.351 -4.037 -10.368 820 H ILE 109 H ILE 109 -10.443 -2.729 -8.280 821 HA ILE 109 HA ILE 109 -10.732 0.051 -8.973 822 HB ILE 109 HB ILE 109 -11.165 -1.362 -6.329 823 HG12 ILE 109 HG12 ILE 109 -13.615 -0.821 -6.937 824 HG13 ILE 109 HG13 ILE 109 -13.018 -0.596 -8.575 825 HG21 ILE 109 HG21 ILE 109 -11.921 1.438 -7.147 826 HG22 ILE 109 HG22 ILE 109 -10.675 0.993 -5.979 827 HG23 ILE 109 HG23 ILE 109 -12.371 0.650 -5.635 828 HD11 ILE 109 HD11 ILE 109 -12.828 -3.120 -6.950 829 HD12 ILE 109 HD12 ILE 109 -12.204 -2.904 -8.585 830 HD13 ILE 109 HD13 ILE 109 -13.940 -2.813 -8.283 831 H TYR 110 H TYR 110 -8.575 -1.968 -7.122 832 HA TYR 110 HA TYR 110 -6.718 0.279 -6.841 833 HB2 TYR 110 HB2 TYR 110 -8.028 -0.110 -4.707 834 HB3 TYR 110 HB3 TYR 110 -7.301 -1.707 -4.627 835 HD1 TYR 110 HD2 TYR 110 -4.870 -1.935 -4.148 836 HD2 TYR 110 HD1 TYR 110 -6.815 1.849 -4.094 837 HE1 TYR 110 HE2 TYR 110 -2.975 -0.983 -2.896 838 HE2 TYR 110 HE1 TYR 110 -4.934 2.807 -2.838 839 HH TYR 110 HH TYR 110 -1.955 1.305 -2.513 840 H SER 111 H SER 111 -4.581 -0.303 -7.098 841 HA SER 111 HA SER 111 -3.545 -2.879 -6.628 842 HB2 SER 111 HB2 SER 111 -2.960 -3.535 -8.933 843 HB3 SER 111 HB3 SER 111 -4.709 -3.462 -8.724 844 HG SER 111 HG SER 111 -4.804 -1.654 -9.935 845 H PHE 112 H PHE 112 -1.324 -2.743 -6.451 846 HA PHE 112 HA PHE 112 -0.072 -0.376 -7.603 847 HB2 PHE 112 HB2 PHE 112 -0.420 -0.893 -4.740 848 HB3 PHE 112 HB3 PHE 112 1.227 -0.473 -5.212 849 HD1 PHE 112 HD1 PHE 112 -2.232 0.693 -5.014 850 HD2 PHE 112 HD2 PHE 112 1.749 1.681 -6.137 851 HE1 PHE 112 HE1 PHE 112 -2.864 3.066 -5.159 852 HE2 PHE 112 HE2 PHE 112 1.127 4.055 -6.278 853 HZ PHE 112 HZ PHE 112 -1.184 4.748 -5.788 854 H GLU 113 H GLU 113 2.370 -0.443 -7.042 855 HA GLU 113 HA GLU 113 3.458 -3.094 -7.536 856 HB2 GLU 113 HB2 GLU 113 2.563 -1.862 -9.679 857 HB3 GLU 113 HB3 GLU 113 4.020 -0.906 -9.501 858 HG2 GLU 113 HG2 GLU 113 5.409 -2.750 -9.900 859 HG3 GLU 113 HG3 GLU 113 4.085 -3.897 -9.668 860 H LYS 114 H LYS 114 5.806 -3.058 -7.364 861 HA LYS 114 HA LYS 114 6.729 -1.188 -5.437 862 HB2 LYS 114 HB2 LYS 114 8.301 -3.220 -7.035 863 HB3 LYS 114 HB3 LYS 114 8.819 -2.433 -5.555 864 HG2 LYS 114 HG2 LYS 114 7.015 -3.505 -4.323 865 HG3 LYS 114 HG3 LYS 114 6.463 -4.284 -5.805 866 HD2 LYS 114 HD2 LYS 114 7.730 -5.893 -4.604 867 HD3 LYS 114 HD3 LYS 114 8.723 -5.367 -5.965 868 HE2 LYS 114 HE2 LYS 114 10.009 -3.921 -4.515 869 HE3 LYS 114 HE3 LYS 114 8.961 -4.308 -3.149 870 HZ1 LYS 114 HZ1 LYS 114 10.939 -5.613 -2.988 871 HZ2 LYS 114 HZ2 LYS 114 10.778 -6.171 -4.583 872 HZ3 LYS 114 HZ3 LYS 114 9.662 -6.649 -3.396 873 H VAL 115 H VAL 115 6.713 0.849 -6.267 874 HA VAL 115 HA VAL 115 7.931 1.421 -8.834 875 HB VAL 115 HB VAL 115 6.686 3.322 -6.836 876 HG11 VAL 115 HG11 VAL 115 6.552 4.881 -8.715 877 HG12 VAL 115 HG12 VAL 115 7.375 3.712 -9.749 878 HG13 VAL 115 HG13 VAL 115 8.225 4.429 -8.381 879 HG21 VAL 115 HG21 VAL 115 4.721 3.272 -8.293 880 HG22 VAL 115 HG22 VAL 115 5.071 1.679 -7.623 881 HG23 VAL 115 HG23 VAL 115 5.496 2.047 -9.296 882 H LYS 116 H LYS 116 9.871 2.317 -9.150 883 HA LYS 116 HA LYS 116 11.585 2.745 -6.844 884 HB2 LYS 116 HB2 LYS 116 13.398 2.932 -8.569 885 HB3 LYS 116 HB3 LYS 116 12.559 1.387 -8.540 886 HG2 LYS 116 HG2 LYS 116 11.164 2.201 -10.446 887 HG3 LYS 116 HG3 LYS 116 12.216 3.616 -10.526 888 HD2 LYS 116 HD2 LYS 116 12.930 1.949 -12.135 889 HD3 LYS 116 HD3 LYS 116 14.150 2.135 -10.878 890 HE2 LYS 116 HE2 LYS 116 13.277 0.136 -9.751 891 HE3 LYS 116 HE3 LYS 116 12.077 -0.051 -11.028 892 HZ1 LYS 116 HZ1 LYS 116 14.043 -1.483 -11.309 893 HZ2 LYS 116 HZ2 LYS 116 15.011 -0.100 -11.473 894 HZ3 LYS 116 HZ3 LYS 116 13.806 -0.431 -12.618 895 H ALA 117 H ALA 117 13.268 4.639 -7.290 896 HA ALA 117 HA ALA 117 11.491 6.916 -6.998 897 HB1 ALA 117 HB1 ALA 117 14.422 6.689 -6.340 898 HB2 ALA 117 HB2 ALA 117 13.090 6.394 -5.219 899 HB3 ALA 117 HB3 ALA 117 13.342 8.007 -5.884 900 H HIS 118 H HIS 118 11.025 7.503 -9.125 901 HA HIS 118 HA HIS 118 13.192 9.149 -10.242 902 HB2 HIS 118 HB2 HIS 118 12.439 8.765 -12.507 903 HB3 HIS 118 HB3 HIS 118 12.764 7.214 -11.750 904 HD1 HIS 118 HD1 HIS 118 10.981 5.505 -11.992 905 HD2 HIS 118 HD2 HIS 118 9.550 9.356 -12.636 906 HE1 HIS 118 HE1 HIS 118 8.584 5.230 -12.708 907 HE2 HIS 118 HE2 HIS 118 7.704 7.582 -12.986 908 H SER 119 H SER 119 10.401 9.152 -8.651 909 HA SER 119 HA SER 119 9.725 11.849 -9.458 910 HB2 SER 119 HB2 SER 119 8.357 10.281 -10.915 911 HB3 SER 119 HB3 SER 119 7.565 9.724 -9.440 912 HG SER 119 HG SER 119 6.832 11.734 -10.887 913 H GLY 120 H GLY 120 10.927 10.784 -7.152 914 HA2 GLY 120 HA2 GLY 120 9.101 10.138 -5.090 915 HA3 GLY 120 HA3 GLY 120 10.769 10.644 -4.872 916 H ASN 121 H ASN 121 7.460 11.612 -4.894 917 HA ASN 121 HA ASN 121 8.023 14.400 -4.422 918 HB2 ASN 121 HB2 ASN 121 5.457 12.809 -4.179 919 HB3 ASN 121 HB3 ASN 121 5.570 14.548 -3.919 920 HD21 ASN 121 HD21 ASN 121 4.023 13.090 -5.901 921 HD22 ASN 121 HD22 ASN 121 4.565 13.667 -7.439 922 H GLU 122 H GLU 122 7.313 15.489 -2.414 923 HA GLU 122 HA GLU 122 8.715 14.235 -0.271 924 HB2 GLU 122 HB2 GLU 122 7.140 16.814 -0.305 925 HB3 GLU 122 HB3 GLU 122 8.248 16.306 0.968 926 HG2 GLU 122 HG2 GLU 122 10.078 16.280 -0.681 927 HG3 GLU 122 HG3 GLU 122 8.959 16.886 -1.899 928 H PHE 123 H PHE 123 5.428 14.255 -1.196 929 HA PHE 123 HA PHE 123 4.292 13.721 1.357 930 HB2 PHE 123 HB2 PHE 123 3.314 12.944 -1.403 931 HB3 PHE 123 HB3 PHE 123 2.370 12.809 0.078 932 HD1 PHE 123 HD1 PHE 123 2.324 15.098 1.483 933 HD2 PHE 123 HD2 PHE 123 2.909 14.778 -2.721 934 HE1 PHE 123 HE1 PHE 123 1.538 17.412 1.199 935 HE2 PHE 123 HE2 PHE 123 2.130 17.093 -3.009 936 HZ PHE 123 HZ PHE 123 1.443 18.413 -1.046 937 H ASN 124 H ASN 124 5.782 11.770 -1.135 938 HA ASN 124 HA ASN 124 5.225 9.256 0.145 939 HB2 ASN 124 HB2 ASN 124 5.602 9.501 -2.321 940 HB3 ASN 124 HB3 ASN 124 7.291 9.869 -1.986 941 HD21 ASN 124 HD21 ASN 124 8.671 8.212 -1.341 942 HD22 ASN 124 HD22 ASN 124 8.225 6.547 -1.429 943 H ASP 125 H ASP 125 7.673 11.686 0.242 944 HA ASP 125 HA ASP 125 9.849 10.314 1.292 945 HB2 ASP 125 HB2 ASP 125 9.958 12.632 0.507 946 HB3 ASP 125 HB3 ASP 125 8.953 13.152 1.853 947 H TYR 126 H TYR 126 6.908 11.389 2.866 948 HA TYR 126 HA TYR 126 7.875 11.109 5.520 949 HB2 TYR 126 HB2 TYR 126 5.198 11.521 4.289 950 HB3 TYR 126 HB3 TYR 126 5.272 10.962 5.961 951 HD1 TYR 126 HD2 TYR 126 6.387 13.677 3.683 952 HD2 TYR 126 HD1 TYR 126 5.805 12.439 7.712 953 HE1 TYR 126 HE2 TYR 126 6.844 15.970 4.447 954 HE2 TYR 126 HE1 TYR 126 6.264 14.722 8.489 955 HH TYR 126 HH TYR 126 7.410 16.720 7.737 956 H VAL 127 H VAL 127 5.991 8.912 3.423 957 HA VAL 127 HA VAL 127 5.965 6.864 5.435 958 HB VAL 127 HB VAL 127 5.184 5.335 3.653 959 HG11 VAL 127 HG11 VAL 127 3.038 6.436 3.269 960 HG12 VAL 127 HG12 VAL 127 3.740 7.980 3.756 961 HG13 VAL 127 HG13 VAL 127 3.594 6.668 4.927 962 HG21 VAL 127 HG21 VAL 127 6.391 6.262 1.753 963 HG22 VAL 127 HG22 VAL 127 5.437 7.743 1.853 964 HG23 VAL 127 HG23 VAL 127 4.658 6.218 1.430 965 H ASP 128 H ASP 128 8.052 7.799 2.821 966 HA ASP 128 HA ASP 128 9.762 5.580 2.736 967 HB2 ASP 128 HB2 ASP 128 9.926 7.312 1.070 968 HB3 ASP 128 HB3 ASP 128 10.277 8.527 2.292 969 H MET 129 H MET 129 9.900 8.532 4.713 970 HA MET 129 HA MET 129 12.160 7.828 6.213 971 HB2 MET 129 HB2 MET 129 9.833 9.633 6.846 972 HB3 MET 129 HB3 MET 129 11.185 9.420 7.950 973 HG2 MET 129 HG2 MET 129 12.698 10.166 6.114 974 HG3 MET 129 HG3 MET 129 11.264 10.545 5.163 975 HE1 MET 129 HE1 MET 129 9.299 11.598 7.488 976 HE2 MET 129 HE2 MET 129 9.450 12.352 5.900 977 HE3 MET 129 HE3 MET 129 9.582 13.335 7.359 978 H LYS 130 H LYS 130 8.705 7.272 6.859 979 HA LYS 130 HA LYS 130 9.028 6.051 9.360 980 HB2 LYS 130 HB2 LYS 130 6.892 5.801 7.258 981 HB3 LYS 130 HB3 LYS 130 6.827 4.855 8.738 982 HG2 LYS 130 HG2 LYS 130 6.994 7.046 9.991 983 HG3 LYS 130 HG3 LYS 130 6.713 7.843 8.442 984 HD2 LYS 130 HD2 LYS 130 4.578 6.762 8.210 985 HD3 LYS 130 HD3 LYS 130 4.878 5.762 9.632 986 HE2 LYS 130 HE2 LYS 130 4.947 7.820 11.009 987 HE3 LYS 130 HE3 LYS 130 4.532 8.758 9.576 988 HZ1 LYS 130 HZ1 LYS 130 2.433 7.615 9.435 989 HZ2 LYS 130 HZ2 LYS 130 2.602 8.263 10.985 990 HZ3 LYS 130 HZ3 LYS 130 2.837 6.600 10.737 991 H ALA 131 H ALA 131 9.004 4.629 6.114 992 HA ALA 131 HA ALA 131 9.279 1.946 6.889 993 HB1 ALA 131 HB1 ALA 131 8.670 2.627 4.620 994 HB2 ALA 131 HB2 ALA 131 10.071 1.553 4.611 995 HB3 ALA 131 HB3 ALA 131 10.289 3.287 4.382 996 H LYS 132 H LYS 132 11.724 4.403 6.109 997 HA LYS 132 HA LYS 132 13.950 2.697 6.502 998 HB2 LYS 132 HB2 LYS 132 13.660 5.696 6.440 999 HB3 LYS 132 HB3 LYS 132 15.215 4.903 6.677 1000 HG2 LYS 132 HG2 LYS 132 15.078 3.838 4.546 1001 HG3 LYS 132 HG3 LYS 132 13.416 4.385 4.327 1002 HD2 LYS 132 HD2 LYS 132 14.164 6.693 4.228 1003 HD3 LYS 132 HD3 LYS 132 15.829 6.182 4.521 1004 HE2 LYS 132 HE2 LYS 132 16.015 5.173 2.433 1005 HE3 LYS 132 HE3 LYS 132 14.267 5.086 2.213 1006 HZ1 LYS 132 HZ1 LYS 132 15.173 6.798 0.822 1007 HZ2 LYS 132 HZ2 LYS 132 15.938 7.546 2.136 1008 HZ3 LYS 132 HZ3 LYS 132 14.241 7.517 2.038 1009 H SER 133 H SER 133 12.134 4.792 8.672 1010 HA SER 133 HA SER 133 13.870 4.692 10.874 1011 HB2 SER 133 HB2 SER 133 10.847 4.879 10.844 1012 HB3 SER 133 HB3 SER 133 11.872 5.235 12.234 1013 HG SER 133 HG SER 133 12.028 6.565 9.723 1014 H ALA 134 H ALA 134 11.358 2.488 9.771 1015 HA ALA 134 HA ALA 134 11.418 0.815 12.074 1016 HB1 ALA 134 HB1 ALA 134 10.440 0.189 9.292 1017 HB2 ALA 134 HB2 ALA 134 9.482 0.943 10.567 1018 HB3 ALA 134 HB3 ALA 134 10.061 -0.712 10.760 1019 H LEU 135 H LEU 135 13.408 1.083 9.275 1020 HA LEU 135 HA LEU 135 14.447 -1.634 9.595 1021 HB2 LEU 135 HB2 LEU 135 14.956 0.446 7.472 1022 HB3 LEU 135 HB3 LEU 135 15.667 -1.156 7.489 1023 HG LEU 135 HG LEU 135 12.711 -0.567 7.271 1024 HD11 LEU 135 HD11 LEU 135 12.934 -1.330 4.964 1025 HD12 LEU 135 HD12 LEU 135 14.674 -1.507 5.185 1026 HD13 LEU 135 HD13 LEU 135 13.935 0.092 5.263 1027 HD21 LEU 135 HD21 LEU 135 13.170 -2.690 8.388 1028 HD22 LEU 135 HD22 LEU 135 14.222 -3.169 7.057 1029 HD23 LEU 135 HD23 LEU 135 12.493 -2.950 6.780 1030 H GLY 136 H GLY 136 15.204 1.592 10.410 1031 HA2 GLY 136 HA2 GLY 136 16.945 2.202 11.883 1032 HA3 GLY 136 HA3 GLY 136 17.798 0.729 11.449 1033 H ILE 137 H ILE 137 16.463 2.689 8.957 1034 HA ILE 137 HA ILE 137 19.134 3.266 7.945 1035 HB ILE 137 HB ILE 137 16.441 3.790 6.656 1036 HG12 ILE 137 HG12 ILE 137 18.355 1.485 6.240 1037 HG13 ILE 137 HG13 ILE 137 16.813 1.392 7.084 1038 HG21 ILE 137 HG21 ILE 137 19.228 3.770 5.504 1039 HG22 ILE 137 HG22 ILE 137 18.184 5.177 5.715 1040 HG23 ILE 137 HG23 ILE 137 17.741 3.914 4.566 1041 HD11 ILE 137 HD11 ILE 137 17.207 2.044 4.171 1042 HD12 ILE 137 HD12 ILE 137 15.657 1.973 5.010 1043 HD13 ILE 137 HD13 ILE 137 16.632 0.514 4.835 1044 H ARG 138 H ARG 138 19.816 5.383 7.403 1045 HA ARG 138 HA ARG 138 20.166 7.589 7.810 1046 HB2 ARG 138 HB2 ARG 138 17.151 7.645 8.083 1047 HB3 ARG 138 HB3 ARG 138 18.168 9.077 8.026 1048 HG2 ARG 138 HG2 ARG 138 18.884 8.509 5.778 1049 HG3 ARG 138 HG3 ARG 138 17.939 7.021 5.838 1050 HD2 ARG 138 HD2 ARG 138 16.737 8.721 4.596 1051 HD3 ARG 138 HD3 ARG 138 15.887 8.350 6.095 1052 HE ARG 138 HE ARG 138 17.594 10.544 6.534 1053 HH11 ARG 138 HH11 ARG 138 14.663 9.733 4.786 1054 HH12 ARG 138 HH12 ARG 138 14.043 11.356 4.820 1055 HH21 ARG 138 HH21 ARG 138 16.747 12.678 6.604 1056 HH22 ARG 138 HH22 ARG 138 15.219 13.015 5.848 1057 H ASP 139 H ASP 139 20.849 6.119 9.830 1058 HA ASP 139 HA ASP 139 19.799 7.449 12.239 1059 HB2 ASP 139 HB2 ASP 139 19.302 5.063 12.286 1060 HB3 ASP 139 HB3 ASP 139 20.987 4.677 11.944 1061 H LEU 140 H LEU 140 21.325 8.082 13.822 1062 HA LEU 140 HA LEU 140 23.672 9.173 12.647 1063 HB2 LEU 140 HB2 LEU 140 22.721 9.144 15.507 1064 HB3 LEU 140 HB3 LEU 140 24.155 9.993 14.968 1065 HG LEU 140 HG LEU 140 22.560 11.223 13.345 1066 HD11 LEU 140 HD11 LEU 140 20.586 10.169 15.362 1067 HD12 LEU 140 HD12 LEU 140 20.611 9.827 13.631 1068 HD13 LEU 140 HD13 LEU 140 20.270 11.461 14.204 1069 HD21 LEU 140 HD21 LEU 140 22.010 12.865 15.095 1070 HD22 LEU 140 HD22 LEU 140 23.684 12.314 15.177 1071 HD23 LEU 140 HD23 LEU 140 22.494 11.692 16.320 1072 H GLU 141 H GLU 141 23.120 6.558 14.983 1073 HA GLU 141 HA GLU 141 26.005 6.241 15.275 1074 HB2 GLU 141 HB2 GLU 141 23.684 5.011 16.744 1075 HB3 GLU 141 HB3 GLU 141 25.351 4.506 16.995 1076 HG2 GLU 141 HG2 GLU 141 25.884 6.899 17.532 1077 HG3 GLU 141 HG3 GLU 141 24.146 7.202 17.526 1078 H HIS 142 H HIS 142 23.697 5.068 13.205 1079 HA HIS 142 HA HIS 142 24.729 2.433 12.842 1080 HB2 HIS 142 HB2 HIS 142 22.532 3.438 11.887 1081 HB3 HIS 142 HB3 HIS 142 23.558 4.095 10.615 1082 HD1 HIS 142 HD1 HIS 142 21.287 1.881 10.222 1083 HD2 HIS 142 HD2 HIS 142 25.388 1.190 10.471 1084 HE1 HIS 142 HE1 HIS 142 21.685 -0.324 9.072 1085 HE2 HIS 142 HE2 HIS 142 24.176 -0.687 9.168 1086 H HIS 143 H HIS 143 26.841 2.185 12.553 1087 HA HIS 143 HA HIS 143 28.656 4.179 12.304 1088 HB2 HIS 143 HB2 HIS 143 28.919 1.635 12.849 1089 HB3 HIS 143 HB3 HIS 143 29.360 1.506 11.152 1090 HD1 HIS 143 HD1 HIS 143 30.474 3.127 14.362 1091 HD2 HIS 143 HD2 HIS 143 31.931 2.327 10.549 1092 HE1 HIS 143 HE1 HIS 143 32.930 3.681 14.446 1093 HE2 HIS 143 HE2 HIS 143 33.818 3.071 12.168 1094 H HIS 144 H HIS 144 28.671 5.683 10.778 1095 HA HIS 144 HA HIS 144 28.481 4.963 7.964 1096 HB2 HIS 144 HB2 HIS 144 28.902 7.674 9.253 1097 HB3 HIS 144 HB3 HIS 144 28.596 7.390 7.544 1098 HD1 HIS 144 HD1 HIS 144 26.162 6.732 6.867 1099 HD2 HIS 144 HD2 HIS 144 26.672 7.616 10.903 1100 HE1 HIS 144 HE1 HIS 144 23.845 7.018 7.802 1101 HE2 HIS 144 HE2 HIS 144 24.175 7.387 10.271 1102 H HIS 145 H HIS 145 30.359 3.691 7.890 1103 HA HIS 145 HA HIS 145 32.694 4.874 6.935 1104 HB2 HIS 145 HB2 HIS 145 32.976 5.589 9.323 1105 HB3 HIS 145 HB3 HIS 145 32.946 3.898 9.800 1106 HD1 HIS 145 HD1 HIS 145 35.080 2.510 9.405 1107 HD2 HIS 145 HD2 HIS 145 35.370 6.459 8.123 1108 HE1 HIS 145 HE1 HIS 145 37.523 2.905 8.955 1109 HE2 HIS 145 HE2 HIS 145 37.697 5.362 8.412 1110 H HIS 146 H HIS 146 34.033 3.231 6.068 1111 HA HIS 146 HA HIS 146 33.132 0.497 6.679 1112 HB2 HIS 146 HB2 HIS 146 32.414 1.524 4.402 1113 HB3 HIS 146 HB3 HIS 146 34.092 1.263 3.940 1114 HD1 HIS 146 HD1 HIS 146 34.560 -0.949 2.924 1115 HD2 HIS 146 HD2 HIS 146 31.180 -1.026 5.344 1116 HE1 HIS 146 HE1 HIS 146 33.614 -3.268 2.695 1117 HE2 HIS 146 HE2 HIS 146 31.652 -3.337 4.280 1118 H HIS 147 H HIS 147 34.663 -1.091 6.772 1119 HA HIS 147 HA HIS 147 37.408 -0.219 7.080 1120 HB2 HIS 147 HB2 HIS 147 36.373 -1.836 8.655 1121 HB3 HIS 147 HB3 HIS 147 36.202 -2.988 7.334 1122 HD1 HIS 147 HD1 HIS 147 38.256 -4.343 6.676 1123 HD2 HIS 147 HD2 HIS 147 39.047 -1.440 9.550 1124 HE1 HIS 147 HE1 HIS 147 40.560 -4.849 7.545 1125 HE2 HIS 147 HE2 HIS 147 40.923 -3.214 9.424 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -10.476 18.625 -1.211 2 H2 MET 1 H2 MET 1 -11.391 17.959 -2.475 3 H3 MET 1 H3 MET 1 -11.510 17.309 -0.914 4 HA MET 1 HA MET 1 -12.479 19.365 -0.103 5 HB2 MET 1 HB2 MET 1 -11.337 20.783 -1.857 6 HB3 MET 1 HB3 MET 1 -12.532 20.202 -3.008 7 HG2 MET 1 HG2 MET 1 -14.314 21.171 -1.637 8 HG3 MET 1 HG3 MET 1 -13.102 21.776 -0.507 9 HE1 MET 1 HE1 MET 1 -13.884 24.239 -0.644 10 HE2 MET 1 HE2 MET 1 -15.213 23.746 -1.694 11 HE3 MET 1 HE3 MET 1 -14.184 25.104 -2.150 12 H ASP 2 H ASP 2 -13.611 18.808 -3.442 13 HA ASP 2 HA ASP 2 -15.816 17.220 -2.343 14 HB2 ASP 2 HB2 ASP 2 -16.385 18.937 -4.084 15 HB3 ASP 2 HB3 ASP 2 -15.373 18.056 -5.225 16 H ASP 3 H ASP 3 -14.758 15.410 -1.744 17 HA ASP 3 HA ASP 3 -12.461 14.531 -3.217 18 HB2 ASP 3 HB2 ASP 3 -13.706 13.148 -0.838 19 HB3 ASP 3 HB3 ASP 3 -12.026 13.094 -1.370 20 H ARG 4 H ARG 4 -13.639 14.019 -5.174 21 HA ARG 4 HA ARG 4 -14.541 11.218 -5.164 22 HB2 ARG 4 HB2 ARG 4 -15.840 13.297 -6.915 23 HB3 ARG 4 HB3 ARG 4 -16.396 11.669 -6.571 24 HG2 ARG 4 HG2 ARG 4 -16.925 12.351 -4.276 25 HG3 ARG 4 HG3 ARG 4 -16.388 13.990 -4.653 26 HD2 ARG 4 HD2 ARG 4 -18.099 13.898 -6.562 27 HD3 ARG 4 HD3 ARG 4 -18.763 12.496 -5.722 28 HE ARG 4 HE ARG 4 -18.478 15.123 -4.401 29 HH11 ARG 4 HH11 ARG 4 -20.416 12.357 -5.312 30 HH12 ARG 4 HH12 ARG 4 -21.801 12.856 -4.392 31 HH21 ARG 4 HH21 ARG 4 -20.288 15.795 -3.209 32 HH22 ARG 4 HH22 ARG 4 -21.727 14.819 -3.183 33 H THR 5 H THR 5 -12.236 13.238 -6.137 34 HA THR 5 HA THR 5 -12.336 12.493 -8.978 35 HB THR 5 HB THR 5 -12.359 14.817 -8.944 36 HG1 THR 5 HG1 THR 5 -9.571 14.227 -9.072 37 HG21 THR 5 HG21 THR 5 -11.942 15.212 -6.602 38 HG22 THR 5 HG22 THR 5 -10.846 16.207 -7.560 39 HG23 THR 5 HG23 THR 5 -10.253 14.739 -6.784 40 H GLU 6 H GLU 6 -11.330 10.559 -8.939 41 HA GLU 6 HA GLU 6 -9.645 9.051 -8.990 42 HB2 GLU 6 HB2 GLU 6 -7.649 9.792 -10.221 43 HB3 GLU 6 HB3 GLU 6 -9.146 10.316 -10.972 44 HG2 GLU 6 HG2 GLU 6 -8.830 12.554 -10.078 45 HG3 GLU 6 HG3 GLU 6 -7.349 12.037 -9.276 46 H TYR 7 H TYR 7 -9.034 8.226 -7.087 47 HA TYR 7 HA TYR 7 -7.558 9.764 -5.176 48 HB2 TYR 7 HB2 TYR 7 -7.896 6.760 -5.259 49 HB3 TYR 7 HB3 TYR 7 -7.481 7.743 -3.859 50 HD1 TYR 7 HD2 TYR 7 -9.419 9.898 -3.923 51 HD2 TYR 7 HD1 TYR 7 -9.955 5.782 -4.852 52 HE1 TYR 7 HE2 TYR 7 -11.801 10.085 -3.354 53 HE2 TYR 7 HE1 TYR 7 -12.342 5.961 -4.286 54 HH TYR 7 HH TYR 7 -13.917 8.920 -3.894 55 H ASP 8 H ASP 8 -5.416 10.034 -5.070 56 HA ASP 8 HA ASP 8 -3.793 8.508 -6.996 57 HB2 ASP 8 HB2 ASP 8 -4.151 11.039 -7.310 58 HB3 ASP 8 HB3 ASP 8 -3.100 11.235 -5.912 59 H VAL 9 H VAL 9 -3.139 6.879 -5.656 60 HA VAL 9 HA VAL 9 -1.915 7.552 -3.072 61 HB VAL 9 HB VAL 9 -2.653 4.838 -4.184 62 HG11 VAL 9 HG11 VAL 9 -2.449 4.083 -1.871 63 HG12 VAL 9 HG12 VAL 9 -1.949 5.704 -1.381 64 HG13 VAL 9 HG13 VAL 9 -0.931 4.754 -2.466 65 HG21 VAL 9 HG21 VAL 9 -4.186 6.599 -2.272 66 HG22 VAL 9 HG22 VAL 9 -4.608 4.942 -2.706 67 HG23 VAL 9 HG23 VAL 9 -4.645 6.210 -3.930 68 H TYR 10 H TYR 10 0.254 7.774 -3.071 69 HA TYR 10 HA TYR 10 1.871 5.929 -4.637 70 HB2 TYR 10 HB2 TYR 10 3.228 7.788 -5.599 71 HB3 TYR 10 HB3 TYR 10 1.580 7.731 -6.209 72 HD1 TYR 10 HD1 TYR 10 -0.122 9.339 -5.146 73 HD2 TYR 10 HD2 TYR 10 4.084 9.777 -4.689 74 HE1 TYR 10 HE1 TYR 10 -0.439 11.700 -4.554 75 HE2 TYR 10 HE2 TYR 10 3.774 12.144 -4.090 76 HH TYR 10 HH TYR 10 2.046 13.935 -4.512 77 H THR 11 H THR 11 3.739 5.398 -3.696 78 HA THR 11 HA THR 11 5.111 7.163 -1.869 79 HB THR 11 HB THR 11 4.214 4.444 -0.864 80 HG1 THR 11 HG1 THR 11 2.936 6.843 -0.812 81 HG21 THR 11 HG21 THR 11 5.130 5.208 1.279 82 HG22 THR 11 HG22 THR 11 5.655 6.711 0.518 83 HG23 THR 11 HG23 THR 11 6.370 5.176 0.025 84 H ASP 12 H ASP 12 7.306 6.684 -1.812 85 HA ASP 12 HA ASP 12 8.189 4.643 -3.705 86 HB2 ASP 12 HB2 ASP 12 9.080 6.931 -3.963 87 HB3 ASP 12 HB3 ASP 12 9.764 6.842 -2.343 88 H GLY 13 H GLY 13 9.580 2.984 -3.168 89 HA2 GLY 13 HA2 GLY 13 9.660 2.246 -0.360 90 HA3 GLY 13 HA3 GLY 13 10.199 1.263 -1.715 91 H SER 14 H SER 14 11.040 4.276 -0.034 92 HA SER 14 HA SER 14 13.726 4.271 -0.972 93 HB2 SER 14 HB2 SER 14 12.415 5.814 1.273 94 HB3 SER 14 HB3 SER 14 14.028 6.135 0.640 95 HG SER 14 HG SER 14 12.179 6.021 -1.355 96 H TYR 15 H TYR 15 15.636 4.003 0.228 97 HA TYR 15 HA TYR 15 15.408 2.503 2.743 98 HB2 TYR 15 HB2 TYR 15 16.983 0.881 2.062 99 HB3 TYR 15 HB3 TYR 15 15.919 1.051 0.674 100 HD1 TYR 15 HD1 TYR 15 16.715 2.639 -1.215 101 HD2 TYR 15 HD2 TYR 15 19.272 1.101 1.815 102 HE1 TYR 15 HE1 TYR 15 18.668 3.110 -2.633 103 HE2 TYR 15 HE2 TYR 15 21.230 1.566 0.410 104 HH TYR 15 HH TYR 15 21.743 1.850 -1.998 105 H VAL 16 H VAL 16 17.665 2.464 3.851 106 HA VAL 16 HA VAL 16 19.414 4.644 3.115 107 HB VAL 16 HB VAL 16 17.662 5.811 4.385 108 HG11 VAL 16 HG11 VAL 16 17.420 5.421 6.802 109 HG12 VAL 16 HG12 VAL 16 18.455 4.001 6.653 110 HG13 VAL 16 HG13 VAL 16 16.896 4.046 5.830 111 HG21 VAL 16 HG21 VAL 16 19.917 6.683 4.435 112 HG22 VAL 16 HG22 VAL 16 20.310 5.648 5.808 113 HG23 VAL 16 HG23 VAL 16 19.128 6.946 5.991 114 H ASN 17 H ASN 17 21.455 4.254 3.700 115 HA ASN 17 HA ASN 17 23.301 3.242 4.562 116 HB2 ASN 17 HB2 ASN 17 21.387 2.681 6.824 117 HB3 ASN 17 HB3 ASN 17 23.049 2.109 6.854 118 HD21 ASN 17 HD21 ASN 17 20.962 4.845 7.076 119 HD22 ASN 17 HD22 ASN 17 22.157 5.982 7.603 120 H GLY 18 H GLY 18 21.434 1.807 2.796 121 HA2 GLY 18 HA2 GLY 18 21.412 -0.288 1.814 122 HA3 GLY 18 HA3 GLY 18 22.616 -0.798 2.990 123 H GLN 19 H GLN 19 20.002 0.587 4.530 124 HA GLN 19 HA GLN 19 18.793 -2.051 5.026 125 HB2 GLN 19 HB2 GLN 19 19.045 0.351 6.848 126 HB3 GLN 19 HB3 GLN 19 18.100 -1.082 7.232 127 HG2 GLN 19 HG2 GLN 19 21.050 -1.146 6.655 128 HG3 GLN 19 HG3 GLN 19 20.370 -0.976 8.272 129 HE21 GLN 19 HE21 GLN 19 20.779 -3.100 5.542 130 HE22 GLN 19 HE22 GLN 19 20.363 -4.562 6.372 131 H TYR 20 H TYR 20 16.518 -2.160 5.129 132 HA TYR 20 HA TYR 20 15.080 0.231 4.288 133 HB2 TYR 20 HB2 TYR 20 13.816 -1.235 2.610 134 HB3 TYR 20 HB3 TYR 20 15.439 -0.722 2.174 135 HD1 TYR 20 HD1 TYR 20 13.454 -3.610 3.410 136 HD2 TYR 20 HD2 TYR 20 17.136 -2.302 1.725 137 HE1 TYR 20 HE1 TYR 20 14.081 -5.950 2.969 138 HE2 TYR 20 HE2 TYR 20 17.770 -4.635 1.285 139 HH TYR 20 HH TYR 20 17.262 -6.858 2.034 140 H ALA 21 H ALA 21 12.871 0.208 4.660 141 HA ALA 21 HA ALA 21 11.747 -1.991 6.222 142 HB1 ALA 21 HB1 ALA 21 12.620 -0.389 7.857 143 HB2 ALA 21 HB2 ALA 21 10.855 -0.422 7.879 144 HB3 ALA 21 HB3 ALA 21 11.704 0.904 7.083 145 H TRP 22 H TRP 22 9.271 -1.574 6.456 146 HA TRP 22 HA TRP 22 8.415 -0.579 3.843 147 HB2 TRP 22 HB2 TRP 22 6.344 -1.844 4.166 148 HB3 TRP 22 HB3 TRP 22 7.753 -2.878 4.326 149 HD1 TRP 22 HD1 TRP 22 8.319 -3.789 6.824 150 HE1 TRP 22 HE1 TRP 22 6.781 -4.183 8.846 151 HE3 TRP 22 HE3 TRP 22 4.311 -0.966 5.367 152 HZ2 TRP 22 HZ2 TRP 22 4.205 -3.409 9.710 153 HZ3 TRP 22 HZ3 TRP 22 2.353 -0.845 6.848 154 HH2 TRP 22 HH2 TRP 22 2.301 -2.043 8.977 155 H ALA 23 H ALA 23 7.237 1.155 3.592 156 HA ALA 23 HA ALA 23 5.539 2.224 5.656 157 HB1 ALA 23 HB1 ALA 23 6.659 4.413 5.750 158 HB2 ALA 23 HB2 ALA 23 7.967 3.778 4.752 159 HB3 ALA 23 HB3 ALA 23 7.692 3.122 6.365 160 H TYR 24 H TYR 24 3.900 3.358 4.750 161 HA TYR 24 HA TYR 24 4.160 4.673 2.226 162 HB2 TYR 24 HB2 TYR 24 2.423 3.295 1.055 163 HB3 TYR 24 HB3 TYR 24 3.955 2.468 1.301 164 HD1 TYR 24 HD1 TYR 24 4.119 0.584 2.850 165 HD2 TYR 24 HD2 TYR 24 0.412 2.574 2.202 166 HE1 TYR 24 HE1 TYR 24 2.930 -1.304 3.889 167 HE2 TYR 24 HE2 TYR 24 -0.781 0.696 3.244 168 HH TYR 24 HH TYR 24 0.723 -1.693 5.051 169 H ALA 25 H ALA 25 2.082 5.639 1.524 170 HA ALA 25 HA ALA 25 0.179 5.950 3.737 171 HB1 ALA 25 HB1 ALA 25 1.440 8.232 2.225 172 HB2 ALA 25 HB2 ALA 25 1.769 7.793 3.899 173 HB3 ALA 25 HB3 ALA 25 0.169 8.374 3.438 174 H PHE 26 H PHE 26 -1.857 5.816 3.097 175 HA PHE 26 HA PHE 26 -2.498 5.866 0.252 176 HB2 PHE 26 HB2 PHE 26 -4.224 5.296 2.681 177 HB3 PHE 26 HB3 PHE 26 -4.791 5.228 1.019 178 HD1 PHE 26 HD2 PHE 26 -3.535 3.599 -0.556 179 HD2 PHE 26 HD1 PHE 26 -3.396 3.392 3.691 180 HE1 PHE 26 HE2 PHE 26 -2.865 1.237 -0.698 181 HE2 PHE 26 HE1 PHE 26 -2.727 1.030 3.557 182 HZ PHE 26 HZ PHE 26 -2.459 -0.050 1.362 183 H VAL 27 H VAL 27 -2.675 7.833 -0.566 184 HA VAL 27 HA VAL 27 -4.095 9.866 0.999 185 HB VAL 27 HB VAL 27 -1.878 10.620 0.633 186 HG11 VAL 27 HG11 VAL 27 -1.155 9.115 -1.083 187 HG12 VAL 27 HG12 VAL 27 -0.862 10.770 -1.618 188 HG13 VAL 27 HG13 VAL 27 -2.234 9.867 -2.257 189 HG21 VAL 27 HG21 VAL 27 -3.515 12.359 0.286 190 HG22 VAL 27 HG22 VAL 27 -3.667 11.917 -1.413 191 HG23 VAL 27 HG23 VAL 27 -2.156 12.597 -0.812 192 H LYS 28 H LYS 28 -5.940 10.642 0.277 193 HA LYS 28 HA LYS 28 -6.756 10.058 -2.497 194 HB2 LYS 28 HB2 LYS 28 -9.104 9.959 -1.586 195 HB3 LYS 28 HB3 LYS 28 -8.061 8.634 -1.091 196 HG2 LYS 28 HG2 LYS 28 -7.806 9.515 1.086 197 HG3 LYS 28 HG3 LYS 28 -8.506 11.064 0.619 198 HD2 LYS 28 HD2 LYS 28 -10.145 8.588 0.339 199 HD3 LYS 28 HD3 LYS 28 -9.911 9.281 1.943 200 HE2 LYS 28 HE2 LYS 28 -11.908 10.231 1.150 201 HE3 LYS 28 HE3 LYS 28 -10.687 11.483 0.947 202 HZ1 LYS 28 HZ1 LYS 28 -11.380 9.674 -1.276 203 HZ2 LYS 28 HZ2 LYS 28 -10.677 11.215 -1.351 204 HZ3 LYS 28 HZ3 LYS 28 -12.314 11.041 -0.950 205 H ASP 29 H ASP 29 -7.018 11.847 -3.645 206 HA ASP 29 HA ASP 29 -7.608 13.945 -4.297 207 HB2 ASP 29 HB2 ASP 29 -9.260 14.018 -1.758 208 HB3 ASP 29 HB3 ASP 29 -9.449 15.069 -3.155 209 H GLY 30 H GLY 30 -5.412 13.371 -2.273 210 HA2 GLY 30 HA2 GLY 30 -3.689 14.879 -1.663 211 HA3 GLY 30 HA3 GLY 30 -4.881 16.169 -1.596 212 H LYS 31 H LYS 31 -6.265 13.601 -0.085 213 HA LYS 31 HA LYS 31 -5.485 14.625 2.559 214 HB2 LYS 31 HB2 LYS 31 -7.798 12.785 1.968 215 HB3 LYS 31 HB3 LYS 31 -7.552 13.790 3.385 216 HG2 LYS 31 HG2 LYS 31 -8.197 14.751 0.609 217 HG3 LYS 31 HG3 LYS 31 -9.298 14.693 1.986 218 HD2 LYS 31 HD2 LYS 31 -7.720 16.239 3.180 219 HD3 LYS 31 HD3 LYS 31 -6.858 16.421 1.650 220 HE2 LYS 31 HE2 LYS 31 -8.392 18.239 1.849 221 HE3 LYS 31 HE3 LYS 31 -9.003 17.143 0.609 222 HZ1 LYS 31 HZ1 LYS 31 -10.396 16.134 2.442 223 HZ2 LYS 31 HZ2 LYS 31 -10.841 17.687 1.938 224 HZ3 LYS 31 HZ3 LYS 31 -9.981 17.485 3.380 225 H VAL 32 H VAL 32 -4.470 13.353 4.023 226 HA VAL 32 HA VAL 32 -3.615 10.723 3.187 227 HB VAL 32 HB VAL 32 -2.016 12.095 4.378 228 HG11 VAL 32 HG11 VAL 32 -2.285 12.663 6.743 229 HG12 VAL 32 HG12 VAL 32 -3.926 12.015 6.705 230 HG13 VAL 32 HG13 VAL 32 -3.511 13.431 5.735 231 HG21 VAL 32 HG21 VAL 32 -2.895 9.716 6.006 232 HG22 VAL 32 HG22 VAL 32 -1.329 10.513 6.140 233 HG23 VAL 32 HG23 VAL 32 -1.781 9.707 4.638 234 H HIS 33 H HIS 33 -4.687 8.900 3.546 235 HA HIS 33 HA HIS 33 -6.896 8.960 5.477 236 HB2 HIS 33 HB2 HIS 33 -7.365 8.377 3.086 237 HB3 HIS 33 HB3 HIS 33 -6.372 6.939 3.288 238 HD1 HIS 33 HD1 HIS 33 -7.867 4.970 3.485 239 HD2 HIS 33 HD2 HIS 33 -9.422 8.289 5.435 240 HE1 HIS 33 HE1 HIS 33 -10.005 4.187 4.550 241 HE2 HIS 33 HE2 HIS 33 -10.835 6.169 5.864 242 H TYR 34 H TYR 34 -3.978 7.192 4.632 243 HA TYR 34 HA TYR 34 -3.870 6.069 7.300 244 HB2 TYR 34 HB2 TYR 34 -4.395 4.417 4.883 245 HB3 TYR 34 HB3 TYR 34 -3.226 3.790 6.038 246 HD1 TYR 34 HD1 TYR 34 -4.048 3.846 8.555 247 HD2 TYR 34 HD2 TYR 34 -6.626 3.845 5.167 248 HE1 TYR 34 HE1 TYR 34 -5.867 2.955 9.947 249 HE2 TYR 34 HE2 TYR 34 -8.454 2.955 6.551 250 HH TYR 34 HH TYR 34 -8.732 1.688 8.654 251 H GLU 35 H GLU 35 -1.815 5.556 7.952 252 HA GLU 35 HA GLU 35 0.331 5.212 6.096 253 HB2 GLU 35 HB2 GLU 35 1.726 7.085 6.960 254 HB3 GLU 35 HB3 GLU 35 0.334 7.620 6.037 255 HG2 GLU 35 HG2 GLU 35 0.489 9.091 7.854 256 HG3 GLU 35 HG3 GLU 35 -0.830 7.996 8.251 257 H ASP 36 H ASP 36 2.198 4.356 7.078 258 HA ASP 36 HA ASP 36 2.707 4.410 9.840 259 HB2 ASP 36 HB2 ASP 36 0.710 2.805 9.754 260 HB3 ASP 36 HB3 ASP 36 1.791 1.676 8.945 261 H ALA 37 H ALA 37 4.488 2.781 10.417 262 HA ALA 37 HA ALA 37 6.005 1.814 8.141 263 HB1 ALA 37 HB1 ALA 37 6.701 4.164 8.328 264 HB2 ALA 37 HB2 ALA 37 8.020 3.050 8.678 265 HB3 ALA 37 HB3 ALA 37 7.188 3.875 9.998 266 H ASP 38 H ASP 38 7.276 0.115 8.650 267 HA ASP 38 HA ASP 38 8.206 -0.317 11.352 268 HB2 ASP 38 HB2 ASP 38 5.813 -1.354 11.070 269 HB3 ASP 38 HB3 ASP 38 6.640 -2.574 10.112 270 H VAL 39 H VAL 39 9.502 -2.517 11.296 271 HA VAL 39 HA VAL 39 11.232 -2.247 8.954 272 HB VAL 39 HB VAL 39 12.855 -3.551 10.291 273 HG11 VAL 39 HG11 VAL 39 12.881 -1.121 10.378 274 HG12 VAL 39 HG12 VAL 39 13.330 -1.805 11.942 275 HG13 VAL 39 HG13 VAL 39 11.712 -1.145 11.695 276 HG21 VAL 39 HG21 VAL 39 10.767 -3.396 12.458 277 HG22 VAL 39 HG22 VAL 39 12.417 -3.987 12.655 278 HG23 VAL 39 HG23 VAL 39 11.284 -4.858 11.621 279 H GLY 40 H GLY 40 12.427 -4.538 8.569 280 HA2 GLY 40 HA2 GLY 40 10.525 -6.352 7.513 281 HA3 GLY 40 HA3 GLY 40 12.245 -6.666 7.719 282 H LYS 41 H LYS 41 9.104 -7.179 8.969 283 HA LYS 41 HA LYS 41 9.951 -7.968 11.592 284 HB2 LYS 41 HB2 LYS 41 7.235 -8.259 10.314 285 HB3 LYS 41 HB3 LYS 41 7.611 -8.268 12.033 286 HG2 LYS 41 HG2 LYS 41 8.331 -5.925 11.872 287 HG3 LYS 41 HG3 LYS 41 7.893 -5.922 10.164 288 HD2 LYS 41 HD2 LYS 41 6.078 -4.946 11.289 289 HD3 LYS 41 HD3 LYS 41 5.568 -6.591 10.907 290 HE2 LYS 41 HE2 LYS 41 4.915 -6.113 13.149 291 HE3 LYS 41 HE3 LYS 41 6.248 -7.260 13.204 292 HZ1 LYS 41 HZ1 LYS 41 7.726 -5.614 13.910 293 HZ2 LYS 41 HZ2 LYS 41 6.317 -5.310 14.804 294 HZ3 LYS 41 HZ3 LYS 41 6.696 -4.345 13.462 295 H ASN 42 H ASN 42 8.712 -10.066 12.320 296 HA ASN 42 HA ASN 42 9.922 -12.211 10.773 297 HB2 ASN 42 HB2 ASN 42 8.659 -12.092 13.510 298 HB3 ASN 42 HB3 ASN 42 9.093 -13.621 12.756 299 HD21 ASN 42 HD21 ASN 42 11.249 -14.165 12.535 300 HD22 ASN 42 HD22 ASN 42 12.518 -13.307 13.343 301 HA PRO 43 HA PRO 43 6.354 -13.503 8.570 302 HB2 PRO 43 HB2 PRO 43 7.222 -16.267 9.241 303 HB3 PRO 43 HB3 PRO 43 6.891 -15.540 7.667 304 HG2 PRO 43 HG2 PRO 43 9.391 -15.989 8.454 305 HG3 PRO 43 HG3 PRO 43 8.968 -14.521 7.548 306 HD2 PRO 43 HD2 PRO 43 9.506 -14.865 10.470 307 HD3 PRO 43 HD3 PRO 43 9.949 -13.526 9.393 308 H ALA 44 H ALA 44 7.026 -15.227 11.612 309 HA ALA 44 HA ALA 44 4.421 -16.280 11.945 310 HB1 ALA 44 HB1 ALA 44 5.104 -16.784 14.211 311 HB2 ALA 44 HB2 ALA 44 6.483 -15.694 14.063 312 HB3 ALA 44 HB3 ALA 44 6.409 -17.162 13.087 313 H ALA 45 H ALA 45 5.645 -13.116 12.389 314 HA ALA 45 HA ALA 45 3.397 -12.366 14.115 315 HB1 ALA 45 HB1 ALA 45 4.535 -10.216 14.357 316 HB2 ALA 45 HB2 ALA 45 5.780 -10.741 13.221 317 HB3 ALA 45 HB3 ALA 45 5.604 -11.555 14.776 318 H ALA 46 H ALA 46 4.796 -11.774 10.945 319 HA ALA 46 HA ALA 46 3.035 -9.701 10.181 320 HB1 ALA 46 HB1 ALA 46 5.212 -10.107 9.118 321 HB2 ALA 46 HB2 ALA 46 3.897 -10.028 7.947 322 HB3 ALA 46 HB3 ALA 46 4.573 -11.591 8.407 323 H THR 47 H THR 47 2.735 -13.151 10.188 324 HA THR 47 HA THR 47 0.806 -13.499 8.185 325 HB THR 47 HB THR 47 0.194 -15.563 9.642 326 HG1 THR 47 HG1 THR 47 2.619 -15.520 10.838 327 HG21 THR 47 HG21 THR 47 1.561 -15.672 7.624 328 HG22 THR 47 HG22 THR 47 2.203 -16.736 8.873 329 HG23 THR 47 HG23 THR 47 2.983 -15.189 8.549 330 H MET 48 H MET 48 0.506 -12.255 11.408 331 HA MET 48 HA MET 48 -2.350 -12.772 11.515 332 HB2 MET 48 HB2 MET 48 -0.853 -12.974 13.528 333 HB3 MET 48 HB3 MET 48 -0.664 -11.225 13.487 334 HG2 MET 48 HG2 MET 48 -2.945 -10.871 13.989 335 HG3 MET 48 HG3 MET 48 -3.350 -12.558 13.689 336 HE1 MET 48 HE1 MET 48 -1.762 -14.385 16.729 337 HE2 MET 48 HE2 MET 48 -1.095 -14.154 15.112 338 HE3 MET 48 HE3 MET 48 -2.804 -14.538 15.315 339 H ARG 49 H ARG 49 -1.766 -11.275 9.359 340 HA ARG 49 HA ARG 49 -2.468 -9.450 8.206 341 HB2 ARG 49 HB2 ARG 49 -4.556 -10.187 9.559 342 HB3 ARG 49 HB3 ARG 49 -4.243 -8.757 10.531 343 HG2 ARG 49 HG2 ARG 49 -4.460 -7.351 8.548 344 HG3 ARG 49 HG3 ARG 49 -4.750 -8.785 7.561 345 HD2 ARG 49 HD2 ARG 49 -6.489 -7.638 9.735 346 HD3 ARG 49 HD3 ARG 49 -6.882 -7.861 8.030 347 HE ARG 49 HE ARG 49 -6.319 -10.232 9.650 348 HH11 ARG 49 HH11 ARG 49 -8.696 -8.241 8.000 349 HH12 ARG 49 HH12 ARG 49 -9.923 -9.467 8.058 350 HH21 ARG 49 HH21 ARG 49 -7.915 -11.818 9.721 351 HH22 ARG 49 HH22 ARG 49 -9.481 -11.516 9.015 352 H ASN 50 H ASN 50 -0.105 -8.961 9.387 353 HA ASN 50 HA ASN 50 -0.261 -6.446 10.814 354 HB2 ASN 50 HB2 ASN 50 1.487 -7.901 11.544 355 HB3 ASN 50 HB3 ASN 50 2.084 -8.120 9.902 356 HD21 ASN 50 HD21 ASN 50 1.759 -5.807 12.537 357 HD22 ASN 50 HD22 ASN 50 3.059 -4.779 12.035 358 H VAL 51 H VAL 51 1.832 -7.212 8.027 359 HA VAL 51 HA VAL 51 1.705 -4.563 7.023 360 HB VAL 51 HB VAL 51 2.468 -7.042 5.465 361 HG11 VAL 51 HG11 VAL 51 3.843 -5.511 4.151 362 HG12 VAL 51 HG12 VAL 51 3.290 -4.156 5.137 363 HG13 VAL 51 HG13 VAL 51 2.146 -5.023 4.111 364 HG21 VAL 51 HG21 VAL 51 4.760 -6.657 6.179 365 HG22 VAL 51 HG22 VAL 51 3.719 -6.930 7.578 366 HG23 VAL 51 HG23 VAL 51 4.241 -5.294 7.169 367 H ALA 52 H ALA 52 -0.102 -7.469 6.473 368 HA ALA 52 HA ALA 52 -1.506 -6.611 4.158 369 HB1 ALA 52 HB1 ALA 52 -1.248 -8.976 4.745 370 HB2 ALA 52 HB2 ALA 52 -2.943 -8.529 4.556 371 HB3 ALA 52 HB3 ALA 52 -2.257 -8.727 6.170 372 H GLY 53 H GLY 53 -1.739 -5.686 7.410 373 HA2 GLY 53 HA2 GLY 53 -4.522 -5.551 7.797 374 HA3 GLY 53 HA3 GLY 53 -3.324 -4.596 8.655 375 H GLU 54 H GLU 54 -2.275 -2.929 6.863 376 HA GLU 54 HA GLU 54 -4.294 -0.998 6.538 377 HB2 GLU 54 HB2 GLU 54 -1.499 -1.165 5.419 378 HB3 GLU 54 HB3 GLU 54 -2.541 0.224 5.166 379 HG2 GLU 54 HG2 GLU 54 -1.112 0.768 6.953 380 HG3 GLU 54 HG3 GLU 54 -2.688 0.443 7.666 381 H ILE 55 H ILE 55 -2.680 -3.079 4.140 382 HA ILE 55 HA ILE 55 -4.003 -1.927 1.925 383 HB ILE 55 HB ILE 55 -3.247 -3.938 0.678 384 HG12 ILE 55 HG12 ILE 55 -2.006 -4.726 3.317 385 HG13 ILE 55 HG13 ILE 55 -3.357 -5.550 2.548 386 HG21 ILE 55 HG21 ILE 55 -1.862 -1.961 0.819 387 HG22 ILE 55 HG22 ILE 55 -0.856 -3.409 0.849 388 HG23 ILE 55 HG23 ILE 55 -1.175 -2.525 2.342 389 HD11 ILE 55 HD11 ILE 55 -1.923 -6.146 0.663 390 HD12 ILE 55 HD12 ILE 55 -1.278 -6.748 2.190 391 HD13 ILE 55 HD13 ILE 55 -0.569 -5.320 1.435 392 H ALA 56 H ALA 56 -4.807 -4.671 4.001 393 HA ALA 56 HA ALA 56 -6.939 -5.633 2.388 394 HB1 ALA 56 HB1 ALA 56 -5.872 -6.986 4.151 395 HB2 ALA 56 HB2 ALA 56 -7.627 -6.915 4.318 396 HB3 ALA 56 HB3 ALA 56 -6.601 -5.938 5.369 397 H ALA 57 H ALA 57 -6.726 -3.231 4.949 398 HA ALA 57 HA ALA 57 -9.526 -2.760 5.153 399 HB1 ALA 57 HB1 ALA 57 -7.944 -2.131 6.926 400 HB2 ALA 57 HB2 ALA 57 -8.911 -0.757 6.394 401 HB3 ALA 57 HB3 ALA 57 -7.237 -0.919 5.859 402 H ALA 58 H ALA 58 -6.911 -1.361 3.258 403 HA ALA 58 HA ALA 58 -8.491 0.693 2.070 404 HB1 ALA 58 HB1 ALA 58 -6.615 1.034 0.582 405 HB2 ALA 58 HB2 ALA 58 -5.911 -0.506 1.072 406 HB3 ALA 58 HB3 ALA 58 -6.037 0.816 2.233 407 H LEU 59 H LEU 59 -7.954 -2.654 1.390 408 HA LEU 59 HA LEU 59 -8.565 -2.802 -1.322 409 HB2 LEU 59 HB2 LEU 59 -7.691 -4.643 0.123 410 HB3 LEU 59 HB3 LEU 59 -9.296 -4.814 0.804 411 HG LEU 59 HG LEU 59 -10.145 -5.345 -1.487 412 HD11 LEU 59 HD11 LEU 59 -8.529 -5.965 -3.204 413 HD12 LEU 59 HD12 LEU 59 -7.210 -5.440 -2.159 414 HD13 LEU 59 HD13 LEU 59 -8.376 -4.264 -2.764 415 HD21 LEU 59 HD21 LEU 59 -9.231 -7.626 -1.525 416 HD22 LEU 59 HD22 LEU 59 -9.680 -7.117 0.104 417 HD23 LEU 59 HD23 LEU 59 -7.983 -7.135 -0.379 418 H TYR 60 H TYR 60 -10.667 -2.607 1.478 419 HA TYR 60 HA TYR 60 -13.092 -3.143 0.067 420 HB2 TYR 60 HB2 TYR 60 -12.390 -2.980 2.717 421 HB3 TYR 60 HB3 TYR 60 -13.295 -1.487 2.494 422 HD1 TYR 60 HD1 TYR 60 -13.482 -5.162 2.178 423 HD2 TYR 60 HD2 TYR 60 -15.661 -1.513 2.313 424 HE1 TYR 60 HE1 TYR 60 -15.575 -6.428 2.382 425 HE2 TYR 60 HE2 TYR 60 -17.763 -2.773 2.521 426 HH TYR 60 HH TYR 60 -18.657 -4.971 2.042 427 H ALA 61 H ALA 61 -11.224 -0.273 0.804 428 HA ALA 61 HA ALA 61 -13.157 1.607 -0.120 429 HB1 ALA 61 HB1 ALA 61 -11.266 3.191 -0.168 430 HB2 ALA 61 HB2 ALA 61 -10.159 1.854 0.150 431 HB3 ALA 61 HB3 ALA 61 -11.363 2.310 1.356 432 H VAL 62 H VAL 62 -10.537 -0.224 -1.582 433 HA VAL 62 HA VAL 62 -10.586 0.895 -4.158 434 HB VAL 62 HB VAL 62 -10.042 -1.985 -3.393 435 HG11 VAL 62 HG11 VAL 62 -9.327 -0.437 -5.880 436 HG12 VAL 62 HG12 VAL 62 -10.429 -1.810 -5.764 437 HG13 VAL 62 HG13 VAL 62 -8.705 -2.036 -5.476 438 HG21 VAL 62 HG21 VAL 62 -7.676 -1.336 -3.406 439 HG22 VAL 62 HG22 VAL 62 -8.593 -0.455 -2.183 440 HG23 VAL 62 HG23 VAL 62 -8.145 0.339 -3.692 441 H LYS 63 H LYS 63 -12.394 -1.817 -2.750 442 HA LYS 63 HA LYS 63 -13.961 -2.424 -4.990 443 HB2 LYS 63 HB2 LYS 63 -14.198 -2.900 -2.059 444 HB3 LYS 63 HB3 LYS 63 -15.621 -3.171 -3.048 445 HG2 LYS 63 HG2 LYS 63 -14.303 -4.726 -4.451 446 HG3 LYS 63 HG3 LYS 63 -12.933 -4.491 -3.364 447 HD2 LYS 63 HD2 LYS 63 -14.169 -5.423 -1.521 448 HD3 LYS 63 HD3 LYS 63 -15.633 -5.514 -2.499 449 HE2 LYS 63 HE2 LYS 63 -13.085 -7.016 -3.084 450 HE3 LYS 63 HE3 LYS 63 -14.470 -7.693 -2.236 451 HZ1 LYS 63 HZ1 LYS 63 -14.621 -8.347 -4.497 452 HZ2 LYS 63 HZ2 LYS 63 -14.366 -6.770 -5.050 453 HZ3 LYS 63 HZ3 LYS 63 -15.810 -7.161 -4.260 454 H LYS 64 H LYS 64 -14.507 -0.127 -2.344 455 HA LYS 64 HA LYS 64 -17.058 0.723 -3.217 456 HB2 LYS 64 HB2 LYS 64 -14.993 1.846 -1.369 457 HB3 LYS 64 HB3 LYS 64 -16.347 2.856 -1.860 458 HG2 LYS 64 HG2 LYS 64 -16.605 0.150 -0.562 459 HG3 LYS 64 HG3 LYS 64 -16.723 1.696 0.282 460 HD2 LYS 64 HD2 LYS 64 -18.625 2.319 -1.133 461 HD3 LYS 64 HD3 LYS 64 -18.510 0.767 -1.964 462 HE2 LYS 64 HE2 LYS 64 -18.985 -0.396 0.131 463 HE3 LYS 64 HE3 LYS 64 -19.070 1.148 0.976 464 HZ1 LYS 64 HZ1 LYS 64 -20.885 0.239 -1.193 465 HZ2 LYS 64 HZ2 LYS 64 -20.941 1.762 -0.453 466 HZ3 LYS 64 HZ3 LYS 64 -21.271 0.366 0.455 467 H ALA 65 H ALA 65 -13.796 1.771 -4.035 468 HA ALA 65 HA ALA 65 -14.470 4.132 -5.409 469 HB1 ALA 65 HB1 ALA 65 -12.147 2.272 -5.897 470 HB2 ALA 65 HB2 ALA 65 -12.180 3.614 -4.752 471 HB3 ALA 65 HB3 ALA 65 -12.283 3.930 -6.484 472 H SER 66 H SER 66 -14.474 0.770 -6.382 473 HA SER 66 HA SER 66 -14.817 1.182 -9.160 474 HB2 SER 66 HB2 SER 66 -14.173 -0.985 -7.941 475 HB3 SER 66 HB3 SER 66 -15.892 -1.174 -7.607 476 HG SER 66 HG SER 66 -16.294 -1.471 -9.723 477 H GLN 67 H GLN 67 -17.001 1.104 -6.428 478 HA GLN 67 HA GLN 67 -19.416 0.945 -7.895 479 HB2 GLN 67 HB2 GLN 67 -18.796 1.902 -5.103 480 HB3 GLN 67 HB3 GLN 67 -20.419 1.710 -5.737 481 HG2 GLN 67 HG2 GLN 67 -20.054 -0.662 -6.051 482 HG3 GLN 67 HG3 GLN 67 -18.389 -0.492 -5.499 483 HE21 GLN 67 HE21 GLN 67 -18.709 -1.964 -3.851 484 HE22 GLN 67 HE22 GLN 67 -19.623 -1.580 -2.427 485 H LEU 68 H LEU 68 -17.378 3.575 -6.815 486 HA LEU 68 HA LEU 68 -19.250 5.616 -7.650 487 HB2 LEU 68 HB2 LEU 68 -16.473 5.638 -6.525 488 HB3 LEU 68 HB3 LEU 68 -17.094 7.073 -7.314 489 HG LEU 68 HG LEU 68 -18.979 7.108 -5.702 490 HD11 LEU 68 HD11 LEU 68 -19.058 4.749 -5.126 491 HD12 LEU 68 HD12 LEU 68 -18.852 5.739 -3.680 492 HD13 LEU 68 HD13 LEU 68 -17.476 4.870 -4.357 493 HD21 LEU 68 HD21 LEU 68 -17.010 8.466 -5.317 494 HD22 LEU 68 HD22 LEU 68 -16.221 7.121 -4.494 495 HD23 LEU 68 HD23 LEU 68 -17.654 7.868 -3.788 496 H GLY 69 H GLY 69 -16.631 3.815 -9.002 497 HA2 GLY 69 HA2 GLY 69 -16.210 3.588 -11.303 498 HA3 GLY 69 HA3 GLY 69 -17.150 5.045 -11.594 499 H VAL 70 H VAL 70 -14.542 4.766 -9.262 500 HA VAL 70 HA VAL 70 -12.920 6.528 -10.976 501 HB VAL 70 HB VAL 70 -11.957 7.497 -8.876 502 HG11 VAL 70 HG11 VAL 70 -13.640 8.684 -10.179 503 HG12 VAL 70 HG12 VAL 70 -13.839 8.999 -8.455 504 HG13 VAL 70 HG13 VAL 70 -14.920 7.875 -9.279 505 HG21 VAL 70 HG21 VAL 70 -13.208 7.267 -6.796 506 HG22 VAL 70 HG22 VAL 70 -12.602 5.704 -7.341 507 HG23 VAL 70 HG23 VAL 70 -14.300 6.119 -7.570 508 H LYS 71 H LYS 71 -10.583 6.428 -10.492 509 HA LYS 71 HA LYS 71 -9.818 3.667 -9.831 510 HB2 LYS 71 HB2 LYS 71 -7.981 3.903 -11.440 511 HB3 LYS 71 HB3 LYS 71 -9.542 4.150 -12.212 512 HG2 LYS 71 HG2 LYS 71 -9.191 6.406 -12.514 513 HG3 LYS 71 HG3 LYS 71 -8.004 6.500 -11.211 514 HD2 LYS 71 HD2 LYS 71 -6.883 6.720 -13.335 515 HD3 LYS 71 HD3 LYS 71 -6.437 5.184 -12.593 516 HE2 LYS 71 HE2 LYS 71 -8.091 4.043 -14.017 517 HE3 LYS 71 HE3 LYS 71 -8.472 5.587 -14.782 518 HZ1 LYS 71 HZ1 LYS 71 -6.909 4.349 -16.120 519 HZ2 LYS 71 HZ2 LYS 71 -5.836 4.219 -14.818 520 HZ3 LYS 71 HZ3 LYS 71 -6.154 5.738 -15.506 521 H ILE 72 H ILE 72 -7.661 3.374 -9.032 522 HA ILE 72 HA ILE 72 -6.443 5.739 -7.761 523 HB ILE 72 HB ILE 72 -5.934 4.523 -5.761 524 HG12 ILE 72 HG12 ILE 72 -7.294 2.106 -6.972 525 HG13 ILE 72 HG13 ILE 72 -5.552 2.316 -6.865 526 HG21 ILE 72 HG21 ILE 72 -8.162 4.029 -4.858 527 HG22 ILE 72 HG22 ILE 72 -8.819 4.042 -6.495 528 HG23 ILE 72 HG23 ILE 72 -8.148 5.519 -5.800 529 HD11 ILE 72 HD11 ILE 72 -5.727 2.379 -4.423 530 HD12 ILE 72 HD12 ILE 72 -6.354 0.877 -5.102 531 HD13 ILE 72 HD13 ILE 72 -7.467 2.127 -4.552 532 H ARG 73 H ARG 73 -4.133 5.074 -6.976 533 HA ARG 73 HA ARG 73 -2.865 3.465 -9.078 534 HB2 ARG 73 HB2 ARG 73 -1.607 5.314 -7.040 535 HB3 ARG 73 HB3 ARG 73 -0.733 4.415 -8.270 536 HG2 ARG 73 HG2 ARG 73 -2.113 5.685 -9.975 537 HG3 ARG 73 HG3 ARG 73 -2.617 6.723 -8.637 538 HD2 ARG 73 HD2 ARG 73 -0.213 7.134 -8.138 539 HD3 ARG 73 HD3 ARG 73 0.204 6.226 -9.588 540 HE ARG 73 HE ARG 73 -1.220 8.816 -9.525 541 HH11 ARG 73 HH11 ARG 73 0.579 6.366 -11.293 542 HH12 ARG 73 HH12 ARG 73 0.943 7.410 -12.629 543 HH21 ARG 73 HH21 ARG 73 -0.709 10.197 -11.276 544 HH22 ARG 73 HH22 ARG 73 0.216 9.587 -12.619 545 H ILE 74 H ILE 74 -1.789 1.591 -8.593 546 HA ILE 74 HA ILE 74 -1.984 0.699 -5.797 547 HB ILE 74 HB ILE 74 -3.263 -0.639 -7.418 548 HG12 ILE 74 HG12 ILE 74 -2.057 -1.634 -5.346 549 HG13 ILE 74 HG13 ILE 74 -2.742 -2.728 -6.539 550 HG21 ILE 74 HG21 ILE 74 -2.135 -2.039 -9.071 551 HG22 ILE 74 HG22 ILE 74 -0.602 -1.261 -8.675 552 HG23 ILE 74 HG23 ILE 74 -1.910 -0.318 -9.389 553 HD11 ILE 74 HD11 ILE 74 0.164 -1.966 -6.317 554 HD12 ILE 74 HD12 ILE 74 -0.529 -3.087 -7.490 555 HD13 ILE 74 HD13 ILE 74 -0.561 -3.477 -5.771 556 H LEU 75 H LEU 75 -0.179 0.409 -4.681 557 HA LEU 75 HA LEU 75 2.351 0.981 -5.956 558 HB2 LEU 75 HB2 LEU 75 1.669 0.422 -3.066 559 HB3 LEU 75 HB3 LEU 75 3.271 0.838 -3.639 560 HG LEU 75 HG LEU 75 2.402 2.823 -2.735 561 HD11 LEU 75 HD11 LEU 75 1.920 2.966 -5.704 562 HD12 LEU 75 HD12 LEU 75 3.475 3.152 -4.894 563 HD13 LEU 75 HD13 LEU 75 2.196 4.338 -4.630 564 HD21 LEU 75 HD21 LEU 75 0.075 2.152 -2.535 565 HD22 LEU 75 HD22 LEU 75 -0.141 2.326 -4.277 566 HD23 LEU 75 HD23 LEU 75 0.204 3.742 -3.285 567 H HIS 76 H HIS 76 1.639 -1.495 -3.504 568 HA HIS 76 HA HIS 76 2.597 -3.573 -5.270 569 HB2 HIS 76 HB2 HIS 76 4.297 -2.401 -3.222 570 HB3 HIS 76 HB3 HIS 76 4.073 -4.131 -2.980 571 HD1 HIS 76 HD1 HIS 76 6.786 -2.752 -3.883 572 HD2 HIS 76 HD2 HIS 76 4.047 -4.677 -6.361 573 HE1 HIS 76 HE1 HIS 76 8.089 -3.474 -5.914 574 HE2 HIS 76 HE2 HIS 76 6.403 -4.594 -7.429 575 H ASP 77 H ASP 77 0.658 -4.566 -5.087 576 HA ASP 77 HA ASP 77 0.349 -6.090 -2.618 577 HB2 ASP 77 HB2 ASP 77 -1.376 -4.477 -2.290 578 HB3 ASP 77 HB3 ASP 77 -1.870 -4.553 -3.981 579 H TYR 78 H TYR 78 0.092 -8.175 -3.004 580 HA TYR 78 HA TYR 78 -1.077 -8.999 -5.570 581 HB2 TYR 78 HB2 TYR 78 1.315 -10.230 -4.182 582 HB3 TYR 78 HB3 TYR 78 0.459 -10.988 -5.521 583 HD1 TYR 78 HD1 TYR 78 0.538 -9.963 -7.777 584 HD2 TYR 78 HD2 TYR 78 2.856 -8.435 -4.554 585 HE1 TYR 78 HE1 TYR 78 1.940 -8.728 -9.375 586 HE2 TYR 78 HE2 TYR 78 4.264 -7.195 -6.145 587 HH TYR 78 HH TYR 78 3.410 -6.821 -9.455 588 H ALA 79 H ALA 79 -1.652 -8.708 -2.491 589 HA ALA 79 HA ALA 79 -2.693 -11.399 -1.998 590 HB1 ALA 79 HB1 ALA 79 -2.572 -9.002 -0.171 591 HB2 ALA 79 HB2 ALA 79 -1.434 -10.351 -0.186 592 HB3 ALA 79 HB3 ALA 79 -3.113 -10.620 0.277 593 H GLY 80 H GLY 80 -3.792 -8.006 -1.941 594 HA2 GLY 80 HA2 GLY 80 -6.524 -8.716 -1.519 595 HA3 GLY 80 HA3 GLY 80 -5.915 -7.121 -1.929 596 H ILE 81 H ILE 81 -4.750 -7.556 -4.370 597 HA ILE 81 HA ILE 81 -6.942 -7.501 -6.127 598 HB ILE 81 HB ILE 81 -5.323 -7.575 -7.959 599 HG12 ILE 81 HG12 ILE 81 -3.216 -8.009 -5.833 600 HG13 ILE 81 HG13 ILE 81 -3.811 -9.274 -6.903 601 HG21 ILE 81 HG21 ILE 81 -4.017 -5.585 -7.324 602 HG22 ILE 81 HG22 ILE 81 -4.488 -5.837 -5.644 603 HG23 ILE 81 HG23 ILE 81 -5.714 -5.463 -6.855 604 HD11 ILE 81 HD11 ILE 81 -1.699 -8.388 -7.690 605 HD12 ILE 81 HD12 ILE 81 -2.380 -6.762 -7.743 606 HD13 ILE 81 HD13 ILE 81 -2.990 -8.012 -8.829 607 H ALA 82 H ALA 82 -5.171 -10.162 -4.867 608 HA ALA 82 HA ALA 82 -6.186 -11.989 -6.903 609 HB1 ALA 82 HB1 ALA 82 -3.891 -12.307 -6.173 610 HB2 ALA 82 HB2 ALA 82 -4.876 -13.694 -5.705 611 HB3 ALA 82 HB3 ALA 82 -4.427 -12.484 -4.503 612 H PHE 83 H PHE 83 -6.846 -10.899 -3.696 613 HA PHE 83 HA PHE 83 -8.166 -13.203 -2.727 614 HB2 PHE 83 HB2 PHE 83 -7.207 -11.440 -1.271 615 HB3 PHE 83 HB3 PHE 83 -8.479 -10.341 -1.797 616 HD1 PHE 83 HD2 PHE 83 -7.923 -13.611 -0.133 617 HD2 PHE 83 HD1 PHE 83 -10.503 -10.272 -0.665 618 HE1 PHE 83 HE2 PHE 83 -9.370 -14.452 1.669 619 HE2 PHE 83 HE1 PHE 83 -11.955 -11.105 1.138 620 HZ PHE 83 HZ PHE 83 -11.389 -13.198 2.307 621 H TRP 84 H TRP 84 -9.387 -10.244 -4.298 622 HA TRP 84 HA TRP 84 -12.115 -11.018 -3.911 623 HB2 TRP 84 HB2 TRP 84 -12.678 -9.169 -5.453 624 HB3 TRP 84 HB3 TRP 84 -11.635 -8.667 -4.135 625 HD1 TRP 84 HD1 TRP 84 -10.319 -10.275 -7.400 626 HE1 TRP 84 HE1 TRP 84 -8.840 -8.551 -8.602 627 HE3 TRP 84 HE3 TRP 84 -11.139 -6.246 -4.360 628 HZ2 TRP 84 HZ2 TRP 84 -8.123 -5.838 -8.311 629 HZ3 TRP 84 HZ3 TRP 84 -10.020 -4.122 -4.897 630 HH2 TRP 84 HH2 TRP 84 -8.543 -3.923 -6.833 631 H ALA 85 H ALA 85 -9.743 -12.092 -5.987 632 HA ALA 85 HA ALA 85 -11.542 -12.826 -8.156 633 HB1 ALA 85 HB1 ALA 85 -9.531 -13.714 -9.220 634 HB2 ALA 85 HB2 ALA 85 -8.605 -13.380 -7.757 635 HB3 ALA 85 HB3 ALA 85 -9.288 -12.049 -8.691 636 H THR 86 H THR 86 -9.477 -14.393 -5.744 637 HA THR 86 HA THR 86 -10.878 -16.925 -6.197 638 HB THR 86 HB THR 86 -8.391 -16.927 -6.178 639 HG1 THR 86 HG1 THR 86 -9.347 -18.382 -3.932 640 HG21 THR 86 HG21 THR 86 -8.000 -15.194 -4.505 641 HG22 THR 86 HG22 THR 86 -7.183 -16.693 -4.061 642 HG23 THR 86 HG23 THR 86 -8.687 -16.235 -3.257 643 H GLY 87 H GLY 87 -12.360 -14.917 -5.086 644 HA2 GLY 87 HA2 GLY 87 -12.230 -14.543 -2.319 645 HA3 GLY 87 HA3 GLY 87 -13.634 -14.232 -3.318 646 H GLU 88 H GLU 88 -13.018 -17.438 -3.750 647 HA GLU 88 HA GLU 88 -15.063 -18.259 -1.898 648 HB2 GLU 88 HB2 GLU 88 -13.235 -19.971 -3.594 649 HB3 GLU 88 HB3 GLU 88 -14.740 -20.470 -2.840 650 HG2 GLU 88 HG2 GLU 88 -14.470 -18.432 -5.038 651 HG3 GLU 88 HG3 GLU 88 -15.003 -20.101 -5.232 652 H TRP 89 H TRP 89 -11.702 -19.232 -2.426 653 HA TRP 89 HA TRP 89 -11.064 -19.240 0.370 654 HB2 TRP 89 HB2 TRP 89 -11.616 -21.785 -1.091 655 HB3 TRP 89 HB3 TRP 89 -10.216 -21.756 -0.025 656 HD1 TRP 89 HD1 TRP 89 -10.752 -21.191 2.624 657 HE1 TRP 89 HE1 TRP 89 -12.815 -21.789 4.042 658 HE3 TRP 89 HE3 TRP 89 -14.070 -22.156 -1.147 659 HZ2 TRP 89 HZ2 TRP 89 -15.494 -22.565 3.613 660 HZ3 TRP 89 HZ3 TRP 89 -16.361 -22.820 -0.558 661 HH2 TRP 89 HH2 TRP 89 -17.059 -23.022 1.776 662 H LYS 90 H LYS 90 -8.728 -20.461 0.460 663 HA LYS 90 HA LYS 90 -6.960 -18.860 -0.972 664 HB2 LYS 90 HB2 LYS 90 -6.385 -20.069 1.101 665 HB3 LYS 90 HB3 LYS 90 -6.423 -21.588 0.217 666 HG2 LYS 90 HG2 LYS 90 -4.554 -20.890 -1.143 667 HG3 LYS 90 HG3 LYS 90 -4.545 -19.306 -0.367 668 HD2 LYS 90 HD2 LYS 90 -4.028 -21.953 0.987 669 HD3 LYS 90 HD3 LYS 90 -2.810 -20.747 0.567 670 HE2 LYS 90 HE2 LYS 90 -3.872 -19.140 2.067 671 HE3 LYS 90 HE3 LYS 90 -5.115 -20.323 2.467 672 HZ1 LYS 90 HZ1 LYS 90 -3.521 -20.352 4.193 673 HZ2 LYS 90 HZ2 LYS 90 -2.226 -20.461 3.105 674 HZ3 LYS 90 HZ3 LYS 90 -3.282 -21.774 3.295 675 H ALA 91 H ALA 91 -6.025 -18.964 -2.901 676 HA ALA 91 HA ALA 91 -7.084 -20.614 -4.925 677 HB1 ALA 91 HB1 ALA 91 -6.242 -18.349 -5.323 678 HB2 ALA 91 HB2 ALA 91 -5.490 -19.534 -6.389 679 HB3 ALA 91 HB3 ALA 91 -4.603 -18.911 -4.999 680 H LYS 92 H LYS 92 -6.755 -22.763 -4.428 681 HA LYS 92 HA LYS 92 -4.023 -23.759 -4.279 682 HB2 LYS 92 HB2 LYS 92 -6.713 -25.106 -4.087 683 HB3 LYS 92 HB3 LYS 92 -5.206 -26.006 -4.147 684 HG2 LYS 92 HG2 LYS 92 -4.469 -24.845 -2.100 685 HG3 LYS 92 HG3 LYS 92 -6.040 -24.040 -2.025 686 HD2 LYS 92 HD2 LYS 92 -7.167 -26.155 -1.795 687 HD3 LYS 92 HD3 LYS 92 -5.658 -27.031 -2.045 688 HE2 LYS 92 HE2 LYS 92 -4.768 -26.047 0.027 689 HE3 LYS 92 HE3 LYS 92 -6.311 -25.228 0.281 690 HZ1 LYS 92 HZ1 LYS 92 -7.403 -27.367 0.421 691 HZ2 LYS 92 HZ2 LYS 92 -6.145 -27.292 1.553 692 HZ3 LYS 92 HZ3 LYS 92 -5.943 -28.174 0.121 693 H ASN 93 H ASN 93 -3.047 -24.971 -5.826 694 HA ASN 93 HA ASN 93 -2.501 -25.732 -7.886 695 HB2 ASN 93 HB2 ASN 93 -5.477 -26.207 -8.178 696 HB3 ASN 93 HB3 ASN 93 -4.211 -26.936 -9.158 697 HD21 ASN 93 HD21 ASN 93 -2.836 -28.503 -8.209 698 HD22 ASN 93 HD22 ASN 93 -3.327 -29.355 -6.783 699 H GLU 94 H GLU 94 -4.133 -25.559 -10.318 700 HA GLU 94 HA GLU 94 -3.634 -22.707 -10.803 701 HB2 GLU 94 HB2 GLU 94 -3.696 -25.044 -12.704 702 HB3 GLU 94 HB3 GLU 94 -3.468 -23.370 -13.192 703 HG2 GLU 94 HG2 GLU 94 -1.430 -23.256 -11.858 704 HG3 GLU 94 HG3 GLU 94 -1.656 -24.937 -11.375 705 H PHE 95 H PHE 95 -6.198 -24.986 -10.655 706 HA PHE 95 HA PHE 95 -7.874 -23.871 -12.629 707 HB2 PHE 95 HB2 PHE 95 -9.693 -25.117 -11.627 708 HB3 PHE 95 HB3 PHE 95 -8.248 -26.109 -11.677 709 HD1 PHE 95 HD2 PHE 95 -6.983 -26.545 -9.583 710 HD2 PHE 95 HD1 PHE 95 -10.769 -24.610 -9.595 711 HE1 PHE 95 HE2 PHE 95 -7.244 -27.049 -7.189 712 HE2 PHE 95 HE1 PHE 95 -11.039 -25.113 -7.204 713 HZ PHE 95 HZ PHE 95 -9.278 -26.331 -5.995 714 H THR 96 H THR 96 -7.350 -23.068 -9.269 715 HA THR 96 HA THR 96 -9.391 -21.086 -9.097 716 HB THR 96 HB THR 96 -8.014 -20.260 -7.140 717 HG1 THR 96 HG1 THR 96 -6.490 -22.560 -7.114 718 HG21 THR 96 HG21 THR 96 -9.820 -21.879 -6.827 719 HG22 THR 96 HG22 THR 96 -8.474 -22.227 -5.740 720 HG23 THR 96 HG23 THR 96 -8.712 -23.201 -7.191 721 H GLN 97 H GLN 97 -5.876 -20.924 -9.563 722 HA GLN 97 HA GLN 97 -5.523 -18.232 -9.955 723 HB2 GLN 97 HB2 GLN 97 -4.142 -20.647 -11.083 724 HB3 GLN 97 HB3 GLN 97 -3.607 -19.026 -11.467 725 HG2 GLN 97 HG2 GLN 97 -3.875 -20.047 -8.662 726 HG3 GLN 97 HG3 GLN 97 -2.385 -20.153 -9.599 727 HE21 GLN 97 HE21 GLN 97 -4.609 -18.021 -7.980 728 HE22 GLN 97 HE22 GLN 97 -3.574 -16.638 -7.964 729 H ALA 98 H ALA 98 -6.521 -20.661 -12.333 730 HA ALA 98 HA ALA 98 -6.446 -18.965 -14.589 731 HB1 ALA 98 HB1 ALA 98 -7.812 -20.671 -15.685 732 HB2 ALA 98 HB2 ALA 98 -8.108 -21.439 -14.124 733 HB3 ALA 98 HB3 ALA 98 -6.475 -21.391 -14.790 734 H TYR 99 H TYR 99 -8.885 -19.544 -12.143 735 HA TYR 99 HA TYR 99 -10.932 -18.097 -13.564 736 HB2 TYR 99 HB2 TYR 99 -11.339 -19.977 -11.891 737 HB3 TYR 99 HB3 TYR 99 -10.928 -18.821 -10.628 738 HD1 TYR 99 HD1 TYR 99 -13.298 -19.479 -13.394 739 HD2 TYR 99 HD2 TYR 99 -12.548 -17.303 -9.821 740 HE1 TYR 99 HE1 TYR 99 -15.630 -18.706 -13.384 741 HE2 TYR 99 HE2 TYR 99 -14.878 -16.524 -9.800 742 HH TYR 99 HH TYR 99 -16.720 -16.170 -11.441 743 H ALA 100 H ALA 100 -8.467 -17.426 -11.223 744 HA ALA 100 HA ALA 100 -9.466 -15.058 -10.102 745 HB1 ALA 100 HB1 ALA 100 -6.586 -15.869 -10.468 746 HB2 ALA 100 HB2 ALA 100 -7.631 -16.377 -9.141 747 HB3 ALA 100 HB3 ALA 100 -7.200 -14.676 -9.324 748 H LYS 101 H LYS 101 -7.777 -15.630 -13.120 749 HA LYS 101 HA LYS 101 -6.927 -12.942 -13.518 750 HB2 LYS 101 HB2 LYS 101 -6.425 -13.603 -15.799 751 HB3 LYS 101 HB3 LYS 101 -5.877 -14.842 -14.679 752 HG2 LYS 101 HG2 LYS 101 -7.747 -16.242 -15.225 753 HG3 LYS 101 HG3 LYS 101 -8.457 -14.969 -16.220 754 HD2 LYS 101 HD2 LYS 101 -5.823 -16.343 -16.737 755 HD3 LYS 101 HD3 LYS 101 -7.341 -16.682 -17.572 756 HE2 LYS 101 HE2 LYS 101 -7.383 -14.303 -18.319 757 HE3 LYS 101 HE3 LYS 101 -5.787 -14.095 -17.600 758 HZ1 LYS 101 HZ1 LYS 101 -4.941 -15.805 -19.087 759 HZ2 LYS 101 HZ2 LYS 101 -5.635 -14.529 -19.968 760 HZ3 LYS 101 HZ3 LYS 101 -6.479 -15.989 -19.779 761 H LEU 102 H LEU 102 -9.976 -14.436 -13.736 762 HA LEU 102 HA LEU 102 -11.172 -12.914 -15.796 763 HB2 LEU 102 HB2 LEU 102 -12.072 -14.999 -14.610 764 HB3 LEU 102 HB3 LEU 102 -12.571 -13.930 -13.317 765 HG LEU 102 HG LEU 102 -13.524 -13.538 -16.147 766 HD11 LEU 102 HD11 LEU 102 -14.776 -15.227 -13.986 767 HD12 LEU 102 HD12 LEU 102 -14.099 -15.807 -15.510 768 HD13 LEU 102 HD13 LEU 102 -15.537 -14.789 -15.517 769 HD21 LEU 102 HD21 LEU 102 -13.859 -11.661 -14.637 770 HD22 LEU 102 HD22 LEU 102 -14.631 -12.723 -13.461 771 HD23 LEU 102 HD23 LEU 102 -15.401 -12.425 -15.020 772 H MET 103 H MET 103 -10.942 -12.428 -12.292 773 HA MET 103 HA MET 103 -12.231 -9.892 -12.305 774 HB2 MET 103 HB2 MET 103 -10.415 -11.204 -10.280 775 HB3 MET 103 HB3 MET 103 -11.193 -9.651 -10.017 776 HG2 MET 103 HG2 MET 103 -12.469 -11.329 -8.913 777 HG3 MET 103 HG3 MET 103 -13.391 -10.762 -10.302 778 HE1 MET 103 HE1 MET 103 -14.357 -14.566 -9.963 779 HE2 MET 103 HE2 MET 103 -14.957 -12.907 -9.952 780 HE3 MET 103 HE3 MET 103 -13.943 -13.488 -8.630 781 H ASN 104 H ASN 104 -8.979 -10.976 -12.812 782 HA ASN 104 HA ASN 104 -7.637 -8.503 -12.469 783 HB2 ASN 104 HB2 ASN 104 -6.446 -10.644 -12.520 784 HB3 ASN 104 HB3 ASN 104 -6.920 -10.898 -14.190 785 HD21 ASN 104 HD21 ASN 104 -4.808 -9.204 -12.037 786 HD22 ASN 104 HD22 ASN 104 -3.764 -8.543 -13.248 787 H GLN 105 H GLN 105 -9.274 -9.987 -15.200 788 HA GLN 105 HA GLN 105 -8.643 -7.798 -16.963 789 HB2 GLN 105 HB2 GLN 105 -9.858 -10.396 -17.209 790 HB3 GLN 105 HB3 GLN 105 -10.863 -9.180 -17.988 791 HG2 GLN 105 HG2 GLN 105 -7.917 -9.378 -18.504 792 HG3 GLN 105 HG3 GLN 105 -9.094 -10.329 -19.404 793 HE21 GLN 105 HE21 GLN 105 -9.806 -7.094 -18.293 794 HE22 GLN 105 HE22 GLN 105 -9.798 -6.348 -19.848 795 H TYR 106 H TYR 106 -11.368 -8.778 -14.994 796 HA TYR 106 HA TYR 106 -13.195 -6.840 -15.967 797 HB2 TYR 106 HB2 TYR 106 -13.974 -8.883 -14.908 798 HB3 TYR 106 HB3 TYR 106 -13.166 -8.456 -13.407 799 HD1 TYR 106 HD1 TYR 106 -15.868 -7.326 -15.713 800 HD2 TYR 106 HD2 TYR 106 -14.322 -7.295 -11.748 801 HE1 TYR 106 HE1 TYR 106 -17.926 -6.236 -14.924 802 HE2 TYR 106 HE2 TYR 106 -16.376 -6.206 -10.947 803 HH TYR 106 HH TYR 106 -18.193 -4.845 -11.812 804 H ARG 107 H ARG 107 -10.604 -6.651 -13.716 805 HA ARG 107 HA ARG 107 -11.625 -4.599 -12.071 806 HB2 ARG 107 HB2 ARG 107 -9.311 -4.336 -11.292 807 HB3 ARG 107 HB3 ARG 107 -9.796 -6.014 -11.321 808 HG2 ARG 107 HG2 ARG 107 -7.662 -6.102 -12.150 809 HG3 ARG 107 HG3 ARG 107 -8.626 -6.060 -13.623 810 HD2 ARG 107 HD2 ARG 107 -8.239 -3.610 -13.747 811 HD3 ARG 107 HD3 ARG 107 -7.179 -3.744 -12.344 812 HE ARG 107 HE ARG 107 -6.216 -5.556 -14.174 813 HH11 ARG 107 HH11 ARG 107 -6.742 -2.095 -14.108 814 HH12 ARG 107 HH12 ARG 107 -5.468 -1.742 -15.232 815 HH21 ARG 107 HH21 ARG 107 -4.520 -5.110 -15.636 816 HH22 ARG 107 HH22 ARG 107 -4.189 -3.461 -16.096 817 H GLY 108 H GLY 108 -11.504 -2.431 -12.177 818 HA2 GLY 108 HA2 GLY 108 -9.809 -1.170 -14.203 819 HA3 GLY 108 HA3 GLY 108 -11.535 -0.819 -14.247 820 H ILE 109 H ILE 109 -9.965 -1.446 -11.253 821 HA ILE 109 HA ILE 109 -10.719 1.230 -10.356 822 HB ILE 109 HB ILE 109 -9.735 -0.935 -8.530 823 HG12 ILE 109 HG12 ILE 109 -12.617 -0.670 -9.420 824 HG13 ILE 109 HG13 ILE 109 -11.511 -1.866 -10.094 825 HG21 ILE 109 HG21 ILE 109 -11.256 0.173 -6.957 826 HG22 ILE 109 HG22 ILE 109 -11.761 1.286 -8.230 827 HG23 ILE 109 HG23 ILE 109 -10.097 1.313 -7.643 828 HD11 ILE 109 HD11 ILE 109 -12.324 -1.642 -7.206 829 HD12 ILE 109 HD12 ILE 109 -11.220 -2.842 -7.879 830 HD13 ILE 109 HD13 ILE 109 -12.916 -2.831 -8.365 831 H TYR 110 H TYR 110 -7.901 -0.703 -10.953 832 HA TYR 110 HA TYR 110 -6.294 1.443 -9.770 833 HB2 TYR 110 HB2 TYR 110 -4.675 -0.174 -8.931 834 HB3 TYR 110 HB3 TYR 110 -6.263 -0.486 -8.247 835 HD1 TYR 110 HD1 TYR 110 -3.712 -1.708 -10.600 836 HD2 TYR 110 HD2 TYR 110 -7.430 -2.544 -8.714 837 HE1 TYR 110 HE1 TYR 110 -3.548 -4.045 -11.331 838 HE2 TYR 110 HE2 TYR 110 -7.274 -4.889 -9.441 839 HH TYR 110 HH TYR 110 -4.388 -6.205 -10.804 840 H SER 111 H SER 111 -4.486 2.030 -10.826 841 HA SER 111 HA SER 111 -3.804 0.578 -13.301 842 HB2 SER 111 HB2 SER 111 -3.269 3.499 -12.673 843 HB3 SER 111 HB3 SER 111 -2.994 2.681 -14.211 844 HG SER 111 HG SER 111 -5.490 2.230 -13.751 845 H PHE 112 H PHE 112 -1.738 -0.223 -13.405 846 HA PHE 112 HA PHE 112 0.004 0.427 -11.122 847 HB2 PHE 112 HB2 PHE 112 -0.681 -1.923 -11.202 848 HB3 PHE 112 HB3 PHE 112 -0.072 -2.063 -12.846 849 HD1 PHE 112 HD2 PHE 112 0.949 -1.479 -9.339 850 HD2 PHE 112 HD1 PHE 112 2.172 -2.563 -13.266 851 HE1 PHE 112 HE2 PHE 112 3.153 -2.142 -8.468 852 HE2 PHE 112 HE1 PHE 112 4.376 -3.227 -12.407 853 HZ PHE 112 HZ PHE 112 4.870 -3.018 -10.001 854 H GLU 113 H GLU 113 1.961 1.234 -11.449 855 HA GLU 113 HA GLU 113 3.290 0.973 -14.025 856 HB2 GLU 113 HB2 GLU 113 2.705 3.655 -12.738 857 HB3 GLU 113 HB3 GLU 113 3.855 3.414 -14.042 858 HG2 GLU 113 HG2 GLU 113 2.025 2.630 -15.483 859 HG3 GLU 113 HG3 GLU 113 0.886 2.940 -14.172 860 H LYS 114 H LYS 114 5.323 0.321 -13.560 861 HA LYS 114 HA LYS 114 6.352 0.682 -10.893 862 HB2 LYS 114 HB2 LYS 114 6.832 -1.362 -12.264 863 HB3 LYS 114 HB3 LYS 114 7.820 -0.364 -13.325 864 HG2 LYS 114 HG2 LYS 114 9.257 0.204 -11.408 865 HG3 LYS 114 HG3 LYS 114 8.300 -0.878 -10.397 866 HD2 LYS 114 HD2 LYS 114 8.908 -2.759 -11.862 867 HD3 LYS 114 HD3 LYS 114 9.894 -1.664 -12.838 868 HE2 LYS 114 HE2 LYS 114 11.239 -1.152 -10.824 869 HE3 LYS 114 HE3 LYS 114 10.299 -2.342 -9.927 870 HZ1 LYS 114 HZ1 LYS 114 11.073 -4.048 -11.473 871 HZ2 LYS 114 HZ2 LYS 114 12.372 -3.289 -10.687 872 HZ3 LYS 114 HZ3 LYS 114 12.006 -2.894 -12.293 873 H VAL 115 H VAL 115 6.252 2.988 -10.863 874 HA VAL 115 HA VAL 115 8.360 4.300 -12.426 875 HB VAL 115 HB VAL 115 6.204 5.314 -12.792 876 HG11 VAL 115 HG11 VAL 115 6.045 5.741 -9.811 877 HG12 VAL 115 HG12 VAL 115 5.068 4.617 -10.756 878 HG13 VAL 115 HG13 VAL 115 4.905 6.355 -11.008 879 HG21 VAL 115 HG21 VAL 115 7.922 7.051 -11.022 880 HG22 VAL 115 HG22 VAL 115 6.681 7.629 -12.134 881 HG23 VAL 115 HG23 VAL 115 8.113 6.812 -12.759 882 H LYS 116 H LYS 116 10.163 4.787 -11.454 883 HA LYS 116 HA LYS 116 10.426 4.597 -8.595 884 HB2 LYS 116 HB2 LYS 116 12.173 3.983 -10.411 885 HB3 LYS 116 HB3 LYS 116 12.509 5.704 -10.472 886 HG2 LYS 116 HG2 LYS 116 12.675 4.067 -7.954 887 HG3 LYS 116 HG3 LYS 116 14.043 4.362 -9.023 888 HD2 LYS 116 HD2 LYS 116 13.966 6.703 -8.607 889 HD3 LYS 116 HD3 LYS 116 12.417 6.570 -7.778 890 HE2 LYS 116 HE2 LYS 116 15.055 5.451 -6.845 891 HE3 LYS 116 HE3 LYS 116 14.216 6.848 -6.175 892 HZ1 LYS 116 HZ1 LYS 116 12.361 5.346 -5.588 893 HZ2 LYS 116 HZ2 LYS 116 13.808 4.953 -4.800 894 HZ3 LYS 116 HZ3 LYS 116 13.290 4.025 -6.118 895 H ALA 117 H ALA 117 9.981 6.196 -7.236 896 HA ALA 117 HA ALA 117 9.325 8.809 -8.140 897 HB1 ALA 117 HB1 ALA 117 9.778 7.807 -5.331 898 HB2 ALA 117 HB2 ALA 117 8.237 7.842 -6.187 899 HB3 ALA 117 HB3 ALA 117 9.047 9.351 -5.768 900 H HIS 118 H HIS 118 10.947 9.916 -9.039 901 HA HIS 118 HA HIS 118 13.387 10.337 -7.440 902 HB2 HIS 118 HB2 HIS 118 14.554 10.851 -9.552 903 HB3 HIS 118 HB3 HIS 118 13.887 9.226 -9.576 904 HD1 HIS 118 HD1 HIS 118 13.547 12.588 -11.194 905 HD2 HIS 118 HD2 HIS 118 11.858 8.797 -11.473 906 HE1 HIS 118 HE1 HIS 118 12.241 12.581 -13.339 907 HE2 HIS 118 HE2 HIS 118 11.394 10.222 -13.583 908 H SER 119 H SER 119 10.623 11.665 -7.709 909 HA SER 119 HA SER 119 11.090 14.224 -8.858 910 HB2 SER 119 HB2 SER 119 8.908 13.406 -6.930 911 HB3 SER 119 HB3 SER 119 8.878 14.767 -8.056 912 HG SER 119 HG SER 119 8.631 13.417 -9.728 913 H GLY 120 H GLY 120 11.500 12.852 -5.683 914 HA2 GLY 120 HA2 GLY 120 12.324 13.734 -3.729 915 HA3 GLY 120 HA3 GLY 120 12.932 15.080 -4.686 916 H ASN 121 H ASN 121 9.639 13.941 -4.140 917 HA ASN 121 HA ASN 121 8.864 16.671 -3.443 918 HB2 ASN 121 HB2 ASN 121 7.654 15.454 -5.272 919 HB3 ASN 121 HB3 ASN 121 7.114 14.274 -4.084 920 HD21 ASN 121 HD21 ASN 121 4.970 14.775 -4.611 921 HD22 ASN 121 HD22 ASN 121 4.209 16.216 -4.005 922 H GLU 122 H GLU 122 6.870 16.594 -1.828 923 HA GLU 122 HA GLU 122 7.785 16.252 0.707 924 HB2 GLU 122 HB2 GLU 122 5.760 17.488 0.079 925 HB3 GLU 122 HB3 GLU 122 4.932 15.969 -0.225 926 HG2 GLU 122 HG2 GLU 122 5.160 15.375 2.133 927 HG3 GLU 122 HG3 GLU 122 5.974 16.912 2.433 928 H PHE 123 H PHE 123 5.539 13.991 -0.854 929 HA PHE 123 HA PHE 123 5.600 12.071 1.188 930 HB2 PHE 123 HB2 PHE 123 4.889 11.825 -1.734 931 HB3 PHE 123 HB3 PHE 123 4.672 10.521 -0.573 932 HD1 PHE 123 HD1 PHE 123 3.580 13.926 -1.493 933 HD2 PHE 123 HD2 PHE 123 2.846 10.503 0.932 934 HE1 PHE 123 HE1 PHE 123 1.374 14.833 -0.885 935 HE2 PHE 123 HE2 PHE 123 0.640 11.405 1.540 936 HZ PHE 123 HZ PHE 123 -0.099 13.572 0.630 937 H ASN 124 H ASN 124 7.781 12.678 -1.411 938 HA ASN 124 HA ASN 124 8.956 10.080 -1.579 939 HB2 ASN 124 HB2 ASN 124 9.007 11.973 -3.320 940 HB3 ASN 124 HB3 ASN 124 10.272 12.691 -2.335 941 HD21 ASN 124 HD21 ASN 124 11.474 10.118 -1.624 942 HD22 ASN 124 HD22 ASN 124 12.280 9.573 -3.055 943 H ASP 125 H ASP 125 9.950 13.152 -0.075 944 HA ASP 125 HA ASP 125 12.223 11.969 1.210 945 HB2 ASP 125 HB2 ASP 125 10.889 14.657 1.561 946 HB3 ASP 125 HB3 ASP 125 12.345 14.172 2.422 947 H TYR 126 H TYR 126 8.882 12.454 2.036 948 HA TYR 126 HA TYR 126 9.097 12.300 4.831 949 HB2 TYR 126 HB2 TYR 126 7.022 13.000 3.717 950 HB3 TYR 126 HB3 TYR 126 6.802 11.368 3.090 951 HD1 TYR 126 HD1 TYR 126 7.160 13.240 6.289 952 HD2 TYR 126 HD2 TYR 126 5.569 9.815 4.329 953 HE1 TYR 126 HE1 TYR 126 5.969 12.622 8.348 954 HE2 TYR 126 HE2 TYR 126 4.372 9.186 6.383 955 HH TYR 126 HH TYR 126 4.066 11.297 9.065 956 H VAL 127 H VAL 127 8.570 9.716 2.425 957 HA VAL 127 HA VAL 127 8.418 7.645 4.346 958 HB VAL 127 HB VAL 127 7.558 7.377 2.054 959 HG11 VAL 127 HG11 VAL 127 9.073 6.867 0.205 960 HG12 VAL 127 HG12 VAL 127 10.451 7.259 1.236 961 HG13 VAL 127 HG13 VAL 127 9.287 8.512 0.806 962 HG21 VAL 127 HG21 VAL 127 8.340 5.078 1.687 963 HG22 VAL 127 HG22 VAL 127 7.982 5.398 3.384 964 HG23 VAL 127 HG23 VAL 127 9.655 5.355 2.829 965 H ASP 128 H ASP 128 11.086 9.168 2.692 966 HA ASP 128 HA ASP 128 13.154 7.385 3.344 967 HB2 ASP 128 HB2 ASP 128 13.336 9.304 1.753 968 HB3 ASP 128 HB3 ASP 128 13.296 10.405 3.123 969 H MET 129 H MET 129 11.961 10.278 5.012 970 HA MET 129 HA MET 129 13.630 10.006 7.297 971 HB2 MET 129 HB2 MET 129 12.584 12.143 6.613 972 HB3 MET 129 HB3 MET 129 11.002 11.485 7.004 973 HG2 MET 129 HG2 MET 129 11.703 11.252 9.353 974 HG3 MET 129 HG3 MET 129 13.254 11.984 8.941 975 HE1 MET 129 HE1 MET 129 9.413 12.542 9.447 976 HE2 MET 129 HE2 MET 129 9.604 12.821 7.716 977 HE3 MET 129 HE3 MET 129 9.185 14.161 8.783 978 H LYS 130 H LYS 130 10.455 8.824 6.439 979 HA LYS 130 HA LYS 130 9.539 8.005 8.960 980 HB2 LYS 130 HB2 LYS 130 8.324 8.119 6.672 981 HB3 LYS 130 HB3 LYS 130 8.962 6.506 6.414 982 HG2 LYS 130 HG2 LYS 130 6.764 6.243 7.220 983 HG3 LYS 130 HG3 LYS 130 7.836 5.830 8.560 984 HD2 LYS 130 HD2 LYS 130 7.459 7.954 9.601 985 HD3 LYS 130 HD3 LYS 130 6.581 8.546 8.189 986 HE2 LYS 130 HE2 LYS 130 4.866 6.802 8.580 987 HE3 LYS 130 HE3 LYS 130 5.722 6.328 10.045 988 HZ1 LYS 130 HZ1 LYS 130 5.308 8.472 10.994 989 HZ2 LYS 130 HZ2 LYS 130 3.829 7.835 10.444 990 HZ3 LYS 130 HZ3 LYS 130 4.618 9.039 9.551 991 H ALA 131 H ALA 131 11.326 6.213 6.448 992 HA ALA 131 HA ALA 131 11.611 3.842 8.000 993 HB1 ALA 131 HB1 ALA 131 13.178 3.128 6.281 994 HB2 ALA 131 HB2 ALA 131 13.246 4.767 5.636 995 HB3 ALA 131 HB3 ALA 131 11.746 3.845 5.546 996 H LYS 132 H LYS 132 13.489 6.757 7.599 997 HA LYS 132 HA LYS 132 15.921 6.019 8.724 998 HB2 LYS 132 HB2 LYS 132 15.245 8.226 7.624 999 HB3 LYS 132 HB3 LYS 132 14.557 8.674 9.176 1000 HG2 LYS 132 HG2 LYS 132 16.711 9.666 8.994 1001 HG3 LYS 132 HG3 LYS 132 16.812 8.372 10.188 1002 HD2 LYS 132 HD2 LYS 132 17.924 6.936 8.682 1003 HD3 LYS 132 HD3 LYS 132 17.536 7.961 7.301 1004 HE2 LYS 132 HE2 LYS 132 19.350 8.733 9.581 1005 HE3 LYS 132 HE3 LYS 132 19.891 8.159 8.003 1006 HZ1 LYS 132 HZ1 LYS 132 20.003 10.478 7.895 1007 HZ2 LYS 132 HZ2 LYS 132 18.507 10.697 8.657 1008 HZ3 LYS 132 HZ3 LYS 132 18.571 10.099 7.068 1009 H SER 133 H SER 133 12.971 7.212 10.282 1010 HA SER 133 HA SER 133 14.028 7.043 12.935 1011 HB2 SER 133 HB2 SER 133 12.249 8.635 12.312 1012 HB3 SER 133 HB3 SER 133 11.163 7.288 11.983 1013 HG SER 133 HG SER 133 12.023 8.341 14.409 1014 H ALA 134 H ALA 134 12.133 4.946 10.848 1015 HA ALA 134 HA ALA 134 11.223 3.155 12.832 1016 HB1 ALA 134 HB1 ALA 134 11.634 2.654 9.889 1017 HB2 ALA 134 HB2 ALA 134 10.184 3.333 10.627 1018 HB3 ALA 134 HB3 ALA 134 10.660 1.672 10.984 1019 H LEU 135 H LEU 135 14.245 3.417 11.130 1020 HA LEU 135 HA LEU 135 15.087 0.735 11.831 1021 HB2 LEU 135 HB2 LEU 135 16.586 3.025 10.549 1022 HB3 LEU 135 HB3 LEU 135 17.250 1.424 10.811 1023 HG LEU 135 HG LEU 135 14.883 2.059 9.051 1024 HD11 LEU 135 HD11 LEU 135 16.997 2.889 8.145 1025 HD12 LEU 135 HD12 LEU 135 16.374 1.533 7.205 1026 HD13 LEU 135 HD13 LEU 135 17.706 1.284 8.335 1027 HD21 LEU 135 HD21 LEU 135 16.366 -0.527 9.509 1028 HD22 LEU 135 HD22 LEU 135 15.080 -0.269 8.331 1029 HD23 LEU 135 HD23 LEU 135 14.731 -0.157 10.056 1030 H GLY 136 H GLY 136 14.941 3.743 13.307 1031 HA2 GLY 136 HA2 GLY 136 15.481 4.196 15.518 1032 HA3 GLY 136 HA3 GLY 136 16.424 2.716 15.556 1033 H ILE 137 H ILE 137 17.000 4.953 12.986 1034 HA ILE 137 HA ILE 137 19.704 5.350 13.851 1035 HB ILE 137 HB ILE 137 18.209 6.698 11.588 1036 HG12 ILE 137 HG12 ILE 137 20.048 4.291 11.575 1037 HG13 ILE 137 HG13 ILE 137 18.300 4.239 11.379 1038 HG21 ILE 137 HG21 ILE 137 20.173 7.964 12.240 1039 HG22 ILE 137 HG22 ILE 137 20.463 7.165 10.695 1040 HG23 ILE 137 HG23 ILE 137 21.165 6.509 12.175 1041 HD11 ILE 137 HD11 ILE 137 20.260 5.537 9.505 1042 HD12 ILE 137 HD12 ILE 137 18.506 5.526 9.309 1043 HD13 ILE 137 HD13 ILE 137 19.410 4.013 9.249 1044 H ARG 138 H ARG 138 20.161 6.668 15.469 1045 HA ARG 138 HA ARG 138 18.459 9.023 15.903 1046 HB2 ARG 138 HB2 ARG 138 19.658 7.033 17.692 1047 HB3 ARG 138 HB3 ARG 138 19.884 8.693 18.229 1048 HG2 ARG 138 HG2 ARG 138 17.898 7.807 19.223 1049 HG3 ARG 138 HG3 ARG 138 17.445 9.042 18.048 1050 HD2 ARG 138 HD2 ARG 138 17.045 7.194 16.405 1051 HD3 ARG 138 HD3 ARG 138 17.283 6.048 17.728 1052 HE ARG 138 HE ARG 138 15.231 8.151 17.940 1053 HH11 ARG 138 HH11 ARG 138 16.086 4.744 17.812 1054 HH12 ARG 138 HH12 ARG 138 14.504 4.210 18.285 1055 HH21 ARG 138 HH21 ARG 138 13.179 7.441 18.570 1056 HH22 ARG 138 HH22 ARG 138 12.844 5.743 18.699 1057 H ASP 139 H ASP 139 20.037 10.383 17.689 1058 HA ASP 139 HA ASP 139 21.886 11.653 15.848 1059 HB2 ASP 139 HB2 ASP 139 21.918 13.483 17.439 1060 HB3 ASP 139 HB3 ASP 139 20.249 12.985 17.172 1061 H LEU 140 H LEU 140 23.969 12.525 16.847 1062 HA LEU 140 HA LEU 140 25.369 10.186 17.882 1063 HB2 LEU 140 HB2 LEU 140 26.398 12.780 16.740 1064 HB3 LEU 140 HB3 LEU 140 27.413 11.451 17.267 1065 HG LEU 140 HG LEU 140 25.420 11.353 15.001 1066 HD11 LEU 140 HD11 LEU 140 27.390 12.696 14.496 1067 HD12 LEU 140 HD12 LEU 140 27.398 11.185 13.585 1068 HD13 LEU 140 HD13 LEU 140 28.432 11.365 15.002 1069 HD21 LEU 140 HD21 LEU 140 26.411 9.147 14.542 1070 HD22 LEU 140 HD22 LEU 140 25.592 9.197 16.102 1071 HD23 LEU 140 HD23 LEU 140 27.352 9.275 16.028 1072 H GLU 141 H GLU 141 24.209 13.189 19.070 1073 HA GLU 141 HA GLU 141 26.329 13.560 20.988 1074 HB2 GLU 141 HB2 GLU 141 25.008 15.456 20.005 1075 HB3 GLU 141 HB3 GLU 141 23.635 14.918 20.964 1076 HG2 GLU 141 HG2 GLU 141 24.859 15.301 23.010 1077 HG3 GLU 141 HG3 GLU 141 26.300 15.736 22.096 1078 H HIS 142 H HIS 142 23.126 12.141 20.958 1079 HA HIS 142 HA HIS 142 22.836 11.701 23.718 1080 HB2 HIS 142 HB2 HIS 142 21.251 11.217 21.645 1081 HB3 HIS 142 HB3 HIS 142 21.961 9.612 21.765 1082 HD1 HIS 142 HD1 HIS 142 20.280 8.174 22.885 1083 HD2 HIS 142 HD2 HIS 142 20.522 11.937 24.643 1084 HE1 HIS 142 HE1 HIS 142 18.699 8.115 24.840 1085 HE2 HIS 142 HE2 HIS 142 18.908 10.379 25.933 1086 H HIS 143 H HIS 143 24.007 10.459 25.086 1087 HA HIS 143 HA HIS 143 25.757 9.226 25.844 1088 HB2 HIS 143 HB2 HIS 143 25.190 7.622 23.347 1089 HB3 HIS 143 HB3 HIS 143 26.434 7.176 24.505 1090 HD1 HIS 143 HD1 HIS 143 22.985 6.569 23.720 1091 HD2 HIS 143 HD2 HIS 143 25.244 6.777 27.211 1092 HE1 HIS 143 HE1 HIS 143 21.658 5.336 25.469 1093 HE2 HIS 143 HE2 HIS 143 23.079 5.403 27.552 1094 H HIS 144 H HIS 144 27.130 11.012 25.643 1095 HA HIS 144 HA HIS 144 28.492 11.465 23.121 1096 HB2 HIS 144 HB2 HIS 144 29.517 13.405 24.251 1097 HB3 HIS 144 HB3 HIS 144 27.763 13.418 24.359 1098 HD1 HIS 144 HD1 HIS 144 26.801 13.718 26.632 1099 HD2 HIS 144 HD2 HIS 144 30.794 12.551 26.756 1100 HE1 HIS 144 HE1 HIS 144 27.475 13.850 29.053 1101 HE2 HIS 144 HE2 HIS 144 29.816 12.920 29.126 1102 H HIS 145 H HIS 145 30.830 11.723 23.008 1103 HA HIS 145 HA HIS 145 32.211 9.737 24.701 1104 HB2 HIS 145 HB2 HIS 145 31.799 9.202 22.229 1105 HB3 HIS 145 HB3 HIS 145 32.948 10.483 21.867 1106 HD1 HIS 145 HD1 HIS 145 35.200 9.612 21.425 1107 HD2 HIS 145 HD2 HIS 145 33.125 7.229 24.130 1108 HE1 HIS 145 HE1 HIS 145 36.744 7.699 21.971 1109 HE2 HIS 145 HE2 HIS 145 35.386 6.172 23.454 1110 H HIS 146 H HIS 146 34.738 10.177 24.530 1111 HA HIS 146 HA HIS 146 35.126 13.048 25.057 1112 HB2 HIS 146 HB2 HIS 146 35.707 10.704 26.646 1113 HB3 HIS 146 HB3 HIS 146 37.175 11.626 26.340 1114 HD1 HIS 146 HD1 HIS 146 37.593 13.513 27.880 1115 HD2 HIS 146 HD2 HIS 146 33.583 12.405 27.833 1116 HE1 HIS 146 HE1 HIS 146 36.477 14.918 29.644 1117 HE2 HIS 146 HE2 HIS 146 34.065 14.189 29.645 1118 H HIS 147 H HIS 147 37.297 13.875 24.707 1119 HA HIS 147 HA HIS 147 38.711 12.492 22.523 1120 HB2 HIS 147 HB2 HIS 147 38.459 15.418 23.207 1121 HB3 HIS 147 HB3 HIS 147 39.746 14.823 22.167 1122 HD1 HIS 147 HD1 HIS 147 39.210 14.507 19.757 1123 HD2 HIS 147 HD2 HIS 147 35.798 14.994 22.087 1124 HE1 HIS 147 HE1 HIS 147 37.299 14.711 18.135 1125 HE2 HIS 147 HE2 HIS 147 35.289 15.228 19.560 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -17.671 12.562 5.567 2 H2 MET 1 H2 MET 1 -17.861 14.223 5.276 3 H3 MET 1 H3 MET 1 -17.077 13.694 6.684 4 HA MET 1 HA MET 1 -15.537 14.530 4.990 5 HB2 MET 1 HB2 MET 1 -15.380 11.592 5.687 6 HB3 MET 1 HB3 MET 1 -14.059 12.483 4.945 7 HG2 MET 1 HG2 MET 1 -13.968 13.970 6.872 8 HG3 MET 1 HG3 MET 1 -15.307 13.098 7.614 9 HE1 MET 1 HE1 MET 1 -12.536 13.641 9.084 10 HE2 MET 1 HE2 MET 1 -12.246 12.071 9.836 11 HE3 MET 1 HE3 MET 1 -13.869 12.756 9.825 12 H ASP 2 H ASP 2 -15.834 15.041 2.929 13 HA ASP 2 HA ASP 2 -16.532 12.870 1.068 14 HB2 ASP 2 HB2 ASP 2 -17.126 15.824 0.945 15 HB3 ASP 2 HB3 ASP 2 -17.225 14.788 -0.478 16 H ASP 3 H ASP 3 -15.007 12.206 -0.187 17 HA ASP 3 HA ASP 3 -12.660 13.882 -0.712 18 HB2 ASP 3 HB2 ASP 3 -12.943 10.906 -1.205 19 HB3 ASP 3 HB3 ASP 3 -11.459 11.845 -1.161 20 H ARG 4 H ARG 4 -13.335 15.060 -2.464 21 HA ARG 4 HA ARG 4 -14.970 13.726 -4.470 22 HB2 ARG 4 HB2 ARG 4 -14.332 16.663 -4.275 23 HB3 ARG 4 HB3 ARG 4 -15.581 15.918 -5.259 24 HG2 ARG 4 HG2 ARG 4 -16.606 15.119 -3.071 25 HG3 ARG 4 HG3 ARG 4 -15.497 16.240 -2.279 26 HD2 ARG 4 HD2 ARG 4 -16.437 17.995 -3.899 27 HD3 ARG 4 HD3 ARG 4 -17.740 16.841 -4.177 28 HE ARG 4 HE ARG 4 -17.097 18.057 -1.559 29 HH11 ARG 4 HH11 ARG 4 -19.390 16.524 -3.727 30 HH12 ARG 4 HH12 ARG 4 -20.772 16.957 -2.763 31 HH21 ARG 4 HH21 ARG 4 -18.910 18.630 -0.311 32 HH22 ARG 4 HH22 ARG 4 -20.500 18.161 -0.832 33 H THR 5 H THR 5 -11.734 14.229 -4.134 34 HA THR 5 HA THR 5 -11.366 14.719 -7.014 35 HB THR 5 HB THR 5 -9.011 15.204 -6.531 36 HG1 THR 5 HG1 THR 5 -9.754 14.782 -3.800 37 HG21 THR 5 HG21 THR 5 -10.918 16.722 -4.750 38 HG22 THR 5 HG22 THR 5 -10.599 17.048 -6.453 39 HG23 THR 5 HG23 THR 5 -9.325 17.283 -5.256 40 H GLU 6 H GLU 6 -9.684 13.452 -8.127 41 HA GLU 6 HA GLU 6 -9.977 10.703 -7.878 42 HB2 GLU 6 HB2 GLU 6 -7.627 12.199 -9.065 43 HB3 GLU 6 HB3 GLU 6 -7.975 10.494 -9.312 44 HG2 GLU 6 HG2 GLU 6 -8.802 11.442 -11.231 45 HG3 GLU 6 HG3 GLU 6 -10.242 11.337 -10.224 46 H TYR 7 H TYR 7 -8.758 9.082 -6.919 47 HA TYR 7 HA TYR 7 -7.469 10.035 -4.503 48 HB2 TYR 7 HB2 TYR 7 -8.303 7.241 -5.293 49 HB3 TYR 7 HB3 TYR 7 -7.666 7.711 -3.717 50 HD1 TYR 7 HD1 TYR 7 -9.054 10.284 -3.296 51 HD2 TYR 7 HD2 TYR 7 -10.511 6.593 -4.823 52 HE1 TYR 7 HE1 TYR 7 -11.316 10.881 -2.558 53 HE2 TYR 7 HE2 TYR 7 -12.784 7.183 -4.087 54 HH TYR 7 HH TYR 7 -13.622 10.339 -3.078 55 H ASP 8 H ASP 8 -5.417 9.981 -4.097 56 HA ASP 8 HA ASP 8 -3.640 8.705 -6.054 57 HB2 ASP 8 HB2 ASP 8 -2.016 10.482 -5.414 58 HB3 ASP 8 HB3 ASP 8 -3.496 11.114 -6.127 59 H VAL 9 H VAL 9 -3.292 6.754 -5.091 60 HA VAL 9 HA VAL 9 -2.271 6.704 -2.318 61 HB VAL 9 HB VAL 9 -3.075 4.342 -4.029 62 HG11 VAL 9 HG11 VAL 9 -3.224 3.195 -1.852 63 HG12 VAL 9 HG12 VAL 9 -2.625 4.655 -1.064 64 HG13 VAL 9 HG13 VAL 9 -1.599 3.782 -2.202 65 HG21 VAL 9 HG21 VAL 9 -4.738 5.825 -1.995 66 HG22 VAL 9 HG22 VAL 9 -5.190 4.322 -2.800 67 HG23 VAL 9 HG23 VAL 9 -5.004 5.803 -3.739 68 H TYR 10 H TYR 10 -0.089 6.879 -2.286 69 HA TYR 10 HA TYR 10 1.476 5.023 -3.846 70 HB2 TYR 10 HB2 TYR 10 3.009 6.947 -4.623 71 HB3 TYR 10 HB3 TYR 10 1.517 6.664 -5.511 72 HD1 TYR 10 HD1 TYR 10 3.004 8.813 -2.855 73 HD2 TYR 10 HD2 TYR 10 -0.026 8.380 -5.804 74 HE1 TYR 10 HE1 TYR 10 2.342 11.155 -2.512 75 HE2 TYR 10 HE2 TYR 10 -0.696 10.717 -5.466 76 HH TYR 10 HH TYR 10 -0.579 12.407 -3.659 77 H THR 11 H THR 11 3.383 4.515 -2.947 78 HA THR 11 HA THR 11 4.497 6.189 -0.834 79 HB THR 11 HB THR 11 4.969 4.047 0.488 80 HG1 THR 11 HG1 THR 11 4.168 2.254 -0.277 81 HG21 THR 11 HG21 THR 11 3.384 5.728 1.261 82 HG22 THR 11 HG22 THR 11 2.787 4.106 1.619 83 HG23 THR 11 HG23 THR 11 2.119 5.015 0.262 84 H ASP 12 H ASP 12 6.742 5.199 -0.206 85 HA ASP 12 HA ASP 12 8.099 4.646 -2.723 86 HB2 ASP 12 HB2 ASP 12 8.977 6.410 -1.181 87 HB3 ASP 12 HB3 ASP 12 9.332 5.149 -0.003 88 H GLY 13 H GLY 13 9.429 2.868 -3.052 89 HA2 GLY 13 HA2 GLY 13 9.333 0.734 -1.045 90 HA3 GLY 13 HA3 GLY 13 8.741 0.393 -2.666 91 H SER 14 H SER 14 11.461 2.475 -1.888 92 HA SER 14 HA SER 14 13.190 0.637 -3.396 93 HB2 SER 14 HB2 SER 14 12.963 3.002 -4.198 94 HB3 SER 14 HB3 SER 14 13.669 3.542 -2.679 95 HG SER 14 HG SER 14 15.171 1.618 -3.926 96 H TYR 15 H TYR 15 14.588 -0.578 -2.271 97 HA TYR 15 HA TYR 15 15.003 -0.209 0.512 98 HB2 TYR 15 HB2 TYR 15 16.896 -1.938 0.106 99 HB3 TYR 15 HB3 TYR 15 15.229 -2.441 -0.124 100 HD1 TYR 15 HD1 TYR 15 14.348 -2.788 -2.402 101 HD2 TYR 15 HD2 TYR 15 18.454 -1.898 -1.729 102 HE1 TYR 15 HE1 TYR 15 14.886 -3.602 -4.656 103 HE2 TYR 15 HE2 TYR 15 19.003 -2.706 -3.988 104 HH TYR 15 HH TYR 15 18.031 -4.279 -5.674 105 H VAL 16 H VAL 16 16.044 1.458 1.282 106 HA VAL 16 HA VAL 16 18.164 2.669 -0.323 107 HB VAL 16 HB VAL 16 16.336 4.159 0.212 108 HG11 VAL 16 HG11 VAL 16 15.841 4.812 2.537 109 HG12 VAL 16 HG12 VAL 16 16.930 3.543 3.100 110 HG13 VAL 16 HG13 VAL 16 15.471 3.120 2.204 111 HG21 VAL 16 HG21 VAL 16 17.567 5.985 1.278 112 HG22 VAL 16 HG22 VAL 16 18.558 5.134 0.093 113 HG23 VAL 16 HG23 VAL 16 18.796 4.839 1.815 114 H ASN 17 H ASN 17 20.185 2.699 0.284 115 HA ASN 17 HA ASN 17 22.113 2.254 1.390 116 HB2 ASN 17 HB2 ASN 17 20.383 2.744 3.822 117 HB3 ASN 17 HB3 ASN 17 22.121 2.482 3.894 118 HD21 ASN 17 HD21 ASN 17 23.495 4.014 2.969 119 HD22 ASN 17 HD22 ASN 17 22.991 5.656 2.730 120 H GLY 18 H GLY 18 20.182 0.158 0.701 121 HA2 GLY 18 HA2 GLY 18 20.448 -2.156 0.715 122 HA3 GLY 18 HA3 GLY 18 21.514 -2.001 2.103 123 H GLN 19 H GLN 19 19.335 -0.279 3.398 124 HA GLN 19 HA GLN 19 18.050 -2.507 4.703 125 HB2 GLN 19 HB2 GLN 19 18.143 0.444 5.216 126 HB3 GLN 19 HB3 GLN 19 16.916 -0.541 5.997 127 HG2 GLN 19 HG2 GLN 19 18.686 -0.341 7.529 128 HG3 GLN 19 HG3 GLN 19 18.781 -1.974 6.877 129 HE21 GLN 19 HE21 GLN 19 20.514 -2.547 5.593 130 HE22 GLN 19 HE22 GLN 19 21.936 -1.562 5.455 131 H TYR 20 H TYR 20 15.928 -3.053 4.648 132 HA TYR 20 HA TYR 20 14.096 -1.396 3.097 133 HB2 TYR 20 HB2 TYR 20 13.249 -3.292 1.832 134 HB3 TYR 20 HB3 TYR 20 14.971 -3.107 1.536 135 HD1 TYR 20 HD2 TYR 20 16.576 -4.711 2.626 136 HD2 TYR 20 HD1 TYR 20 12.360 -5.278 2.759 137 HE1 TYR 20 HE2 TYR 20 16.916 -7.068 3.236 138 HE2 TYR 20 HE1 TYR 20 12.691 -7.636 3.372 139 HH TYR 20 HH TYR 20 15.675 -8.862 4.404 140 H ALA 21 H ALA 21 11.874 -1.801 3.561 141 HA ALA 21 HA ALA 21 11.183 -3.563 5.743 142 HB1 ALA 21 HB1 ALA 21 10.972 -0.571 6.078 143 HB2 ALA 21 HB2 ALA 21 12.075 -1.635 6.950 144 HB3 ALA 21 HB3 ALA 21 10.332 -1.781 7.189 145 H TRP 22 H TRP 22 8.768 -3.286 6.253 146 HA TRP 22 HA TRP 22 7.382 -2.663 3.752 147 HB2 TRP 22 HB2 TRP 22 5.493 -3.924 4.627 148 HB3 TRP 22 HB3 TRP 22 6.955 -4.894 4.747 149 HD1 TRP 22 HD1 TRP 22 8.090 -4.911 7.335 150 HE1 TRP 22 HE1 TRP 22 6.853 -5.066 9.588 151 HE3 TRP 22 HE3 TRP 22 3.457 -3.390 5.814 152 HZ2 TRP 22 HZ2 TRP 22 4.245 -4.607 10.584 153 HZ3 TRP 22 HZ3 TRP 22 1.642 -3.277 7.478 154 HH2 TRP 22 HH2 TRP 22 2.032 -3.873 9.810 155 H ALA 23 H ALA 23 6.097 -0.942 3.572 156 HA ALA 23 HA ALA 23 5.033 0.466 5.832 157 HB1 ALA 23 HB1 ALA 23 7.305 1.724 4.291 158 HB2 ALA 23 HB2 ALA 23 7.378 1.167 5.964 159 HB3 ALA 23 HB3 ALA 23 6.327 2.514 5.529 160 H TYR 24 H TYR 24 3.353 1.713 5.223 161 HA TYR 24 HA TYR 24 3.191 2.943 2.665 162 HB2 TYR 24 HB2 TYR 24 1.233 1.680 1.812 163 HB3 TYR 24 HB3 TYR 24 2.687 0.694 1.892 164 HD1 TYR 24 HD2 TYR 24 2.886 -1.082 3.612 165 HD2 TYR 24 HD1 TYR 24 -0.695 1.169 3.140 166 HE1 TYR 24 HE2 TYR 24 1.656 -2.780 4.897 167 HE2 TYR 24 HE1 TYR 24 -1.933 -0.522 4.421 168 HH TYR 24 HH TYR 24 -0.467 -2.860 6.293 169 H ALA 25 H ALA 25 1.313 4.209 2.407 170 HA ALA 25 HA ALA 25 -0.522 4.395 4.665 171 HB1 ALA 25 HB1 ALA 25 1.005 6.770 3.582 172 HB2 ALA 25 HB2 ALA 25 1.270 6.010 5.151 173 HB3 ALA 25 HB3 ALA 25 -0.259 6.820 4.811 174 H PHE 26 H PHE 26 -2.559 4.592 3.917 175 HA PHE 26 HA PHE 26 -2.912 4.917 1.048 176 HB2 PHE 26 HB2 PHE 26 -4.947 4.387 3.237 177 HB3 PHE 26 HB3 PHE 26 -5.292 4.402 1.512 178 HD1 PHE 26 HD1 PHE 26 -3.483 2.836 0.171 179 HD2 PHE 26 HD2 PHE 26 -4.841 2.298 4.170 180 HE1 PHE 26 HE1 PHE 26 -2.944 0.438 0.031 181 HE2 PHE 26 HE2 PHE 26 -4.296 -0.093 4.039 182 HZ PHE 26 HZ PHE 26 -3.345 -1.027 1.970 183 H VAL 27 H VAL 27 -2.497 6.957 0.590 184 HA VAL 27 HA VAL 27 -4.026 9.071 1.882 185 HB VAL 27 HB VAL 27 -1.757 9.680 1.650 186 HG11 VAL 27 HG11 VAL 27 -1.077 7.960 0.071 187 HG12 VAL 27 HG12 VAL 27 -0.484 9.548 -0.421 188 HG13 VAL 27 HG13 VAL 27 -1.875 8.834 -1.238 189 HG21 VAL 27 HG21 VAL 27 -1.766 11.572 0.073 190 HG22 VAL 27 HG22 VAL 27 -3.239 11.493 1.040 191 HG23 VAL 27 HG23 VAL 27 -3.256 10.953 -0.638 192 H LYS 28 H LYS 28 -5.479 10.344 0.788 193 HA LYS 28 HA LYS 28 -5.924 10.134 -2.020 194 HB2 LYS 28 HB2 LYS 28 -8.263 9.320 -1.898 195 HB3 LYS 28 HB3 LYS 28 -7.097 8.092 -1.438 196 HG2 LYS 28 HG2 LYS 28 -8.506 9.752 0.619 197 HG3 LYS 28 HG3 LYS 28 -9.251 8.315 -0.071 198 HD2 LYS 28 HD2 LYS 28 -6.531 8.293 1.219 199 HD3 LYS 28 HD3 LYS 28 -8.018 7.999 2.116 200 HE2 LYS 28 HE2 LYS 28 -7.011 5.893 1.513 201 HE3 LYS 28 HE3 LYS 28 -8.511 6.101 0.614 202 HZ1 LYS 28 HZ1 LYS 28 -7.271 6.679 -1.334 203 HZ2 LYS 28 HZ2 LYS 28 -6.657 5.223 -0.734 204 HZ3 LYS 28 HZ3 LYS 28 -5.805 6.667 -0.488 205 H ASP 29 H ASP 29 -6.919 11.936 -2.747 206 HA ASP 29 HA ASP 29 -7.922 13.976 -2.775 207 HB2 ASP 29 HB2 ASP 29 -9.745 12.630 -1.551 208 HB3 ASP 29 HB3 ASP 29 -9.132 13.363 -0.077 209 H GLY 30 H GLY 30 -5.439 13.183 -1.085 210 HA2 GLY 30 HA2 GLY 30 -3.765 14.687 -0.357 211 HA3 GLY 30 HA3 GLY 30 -5.016 15.861 0.018 212 H LYS 31 H LYS 31 -6.205 13.080 1.212 213 HA LYS 31 HA LYS 31 -5.128 13.685 3.885 214 HB2 LYS 31 HB2 LYS 31 -7.743 12.417 3.057 215 HB3 LYS 31 HB3 LYS 31 -7.182 12.483 4.718 216 HG2 LYS 31 HG2 LYS 31 -8.745 14.233 4.430 217 HG3 LYS 31 HG3 LYS 31 -7.148 14.980 4.513 218 HD2 LYS 31 HD2 LYS 31 -7.096 15.347 2.186 219 HD3 LYS 31 HD3 LYS 31 -8.481 14.290 1.915 220 HE2 LYS 31 HE2 LYS 31 -9.938 15.867 3.043 221 HE3 LYS 31 HE3 LYS 31 -8.559 16.891 3.441 222 HZ1 LYS 31 HZ1 LYS 31 -9.455 16.263 0.674 223 HZ2 LYS 31 HZ2 LYS 31 -8.223 17.337 1.123 224 HZ3 LYS 31 HZ3 LYS 31 -9.832 17.686 1.515 225 H VAL 32 H VAL 32 -4.573 12.037 5.288 226 HA VAL 32 HA VAL 32 -4.006 9.441 4.024 227 HB VAL 32 HB VAL 32 -2.931 10.507 6.643 228 HG11 VAL 32 HG11 VAL 32 -1.318 8.679 6.461 229 HG12 VAL 32 HG12 VAL 32 -2.091 8.141 4.969 230 HG13 VAL 32 HG13 VAL 32 -2.974 8.067 6.494 231 HG21 VAL 32 HG21 VAL 32 -0.826 10.869 5.432 232 HG22 VAL 32 HG22 VAL 32 -2.129 11.880 4.809 233 HG23 VAL 32 HG23 VAL 32 -1.629 10.439 3.922 234 H HIS 33 H HIS 33 -5.506 7.935 4.384 235 HA HIS 33 HA HIS 33 -7.325 8.312 6.640 236 HB2 HIS 33 HB2 HIS 33 -7.915 7.824 4.083 237 HB3 HIS 33 HB3 HIS 33 -7.796 6.159 4.643 238 HD1 HIS 33 HD1 HIS 33 -9.979 9.121 4.680 239 HD2 HIS 33 HD2 HIS 33 -9.724 5.486 6.696 240 HE1 HIS 33 HE1 HIS 33 -12.207 8.803 5.798 241 HE2 HIS 33 HE2 HIS 33 -12.099 6.511 6.835 242 H TYR 34 H TYR 34 -4.698 6.382 5.734 243 HA TYR 34 HA TYR 34 -4.761 4.973 8.229 244 HB2 TYR 34 HB2 TYR 34 -5.919 3.655 6.032 245 HB3 TYR 34 HB3 TYR 34 -4.322 2.947 6.212 246 HD1 TYR 34 HD2 TYR 34 -7.581 3.475 7.850 247 HD2 TYR 34 HD1 TYR 34 -3.788 1.565 8.101 248 HE1 TYR 34 HE2 TYR 34 -8.428 2.042 9.659 249 HE2 TYR 34 HE1 TYR 34 -4.626 0.129 9.912 250 HH TYR 34 HH TYR 34 -6.320 -0.061 11.484 251 H GLU 35 H GLU 35 -2.705 4.168 8.758 252 HA GLU 35 HA GLU 35 -0.533 4.537 6.894 253 HB2 GLU 35 HB2 GLU 35 0.561 6.264 8.398 254 HB3 GLU 35 HB3 GLU 35 -0.808 6.827 7.447 255 HG2 GLU 35 HG2 GLU 35 -2.239 6.432 9.478 256 HG3 GLU 35 HG3 GLU 35 -0.748 6.164 10.378 257 H ASP 36 H ASP 36 0.978 3.079 7.329 258 HA ASP 36 HA ASP 36 1.848 2.626 10.051 259 HB2 ASP 36 HB2 ASP 36 -0.054 0.952 9.576 260 HB3 ASP 36 HB3 ASP 36 1.061 0.194 8.441 261 H ALA 37 H ALA 37 3.989 2.138 10.118 262 HA ALA 37 HA ALA 37 5.387 1.166 7.783 263 HB1 ALA 37 HB1 ALA 37 6.841 3.118 7.567 264 HB2 ALA 37 HB2 ALA 37 5.917 3.958 8.811 265 HB3 ALA 37 HB3 ALA 37 5.159 3.554 7.270 266 H ASP 38 H ASP 38 6.859 -0.226 8.584 267 HA ASP 38 HA ASP 38 8.680 0.576 10.630 268 HB2 ASP 38 HB2 ASP 38 6.368 -0.283 11.707 269 HB3 ASP 38 HB3 ASP 38 7.186 -1.828 11.511 270 H VAL 39 H VAL 39 10.195 -1.228 11.189 271 HA VAL 39 HA VAL 39 10.763 -2.675 8.745 272 HB VAL 39 HB VAL 39 12.921 -3.208 9.816 273 HG11 VAL 39 HG11 VAL 39 12.708 -1.230 8.432 274 HG12 VAL 39 HG12 VAL 39 13.819 -0.929 9.769 275 HG13 VAL 39 HG13 VAL 39 12.176 -0.291 9.828 276 HG21 VAL 39 HG21 VAL 39 13.545 -2.096 11.910 277 HG22 VAL 39 HG22 VAL 39 12.223 -3.240 12.143 278 HG23 VAL 39 HG23 VAL 39 11.892 -1.509 12.082 279 H GLY 40 H GLY 40 10.994 -4.870 8.579 280 HA2 GLY 40 HA2 GLY 40 11.009 -7.089 9.237 281 HA3 GLY 40 HA3 GLY 40 10.791 -6.560 10.899 282 H LYS 41 H LYS 41 9.334 -7.993 8.242 283 HA LYS 41 HA LYS 41 6.642 -7.616 9.282 284 HB2 LYS 41 HB2 LYS 41 6.023 -9.171 7.385 285 HB3 LYS 41 HB3 LYS 41 6.739 -7.646 6.882 286 HG2 LYS 41 HG2 LYS 41 8.522 -8.637 5.966 287 HG3 LYS 41 HG3 LYS 41 8.675 -9.793 7.288 288 HD2 LYS 41 HD2 LYS 41 8.190 -10.967 5.228 289 HD3 LYS 41 HD3 LYS 41 6.815 -11.098 6.321 290 HE2 LYS 41 HE2 LYS 41 5.642 -9.363 5.101 291 HE3 LYS 41 HE3 LYS 41 7.037 -9.133 4.047 292 HZ1 LYS 41 HZ1 LYS 41 5.433 -11.626 4.271 293 HZ2 LYS 41 HZ2 LYS 41 6.772 -11.406 3.255 294 HZ3 LYS 41 HZ3 LYS 41 5.352 -10.515 2.994 295 H ASN 42 H ASN 42 5.443 -9.861 9.336 296 HA ASN 42 HA ASN 42 7.107 -11.888 10.617 297 HB2 ASN 42 HB2 ASN 42 4.769 -10.537 11.992 298 HB3 ASN 42 HB3 ASN 42 5.539 -12.012 12.567 299 HD21 ASN 42 HD21 ASN 42 5.800 -8.578 12.244 300 HD22 ASN 42 HD22 ASN 42 7.212 -8.383 13.220 301 HA PRO 43 HA PRO 43 4.213 -14.627 8.587 302 HB2 PRO 43 HB2 PRO 43 4.912 -16.550 10.715 303 HB3 PRO 43 HB3 PRO 43 5.114 -16.690 8.966 304 HG2 PRO 43 HG2 PRO 43 7.221 -16.334 10.571 305 HG3 PRO 43 HG3 PRO 43 7.138 -15.569 8.971 306 HD2 PRO 43 HD2 PRO 43 6.617 -14.376 11.675 307 HD3 PRO 43 HD3 PRO 43 7.510 -13.693 10.297 308 H ALA 44 H ALA 44 4.131 -13.695 11.885 309 HA ALA 44 HA ALA 44 1.713 -14.951 12.677 310 HB1 ALA 44 HB1 ALA 44 3.018 -12.455 13.753 311 HB2 ALA 44 HB2 ALA 44 3.330 -14.103 14.297 312 HB3 ALA 44 HB3 ALA 44 1.741 -13.378 14.547 313 H ALA 45 H ALA 45 2.305 -12.536 10.451 314 HA ALA 45 HA ALA 45 0.140 -10.789 10.747 315 HB1 ALA 45 HB1 ALA 45 0.428 -10.318 8.360 316 HB2 ALA 45 HB2 ALA 45 1.469 -11.735 8.207 317 HB3 ALA 45 HB3 ALA 45 1.977 -10.368 9.200 318 H ALA 46 H ALA 46 0.395 -13.975 9.286 319 HA ALA 46 HA ALA 46 -2.262 -13.944 8.204 320 HB1 ALA 46 HB1 ALA 46 -1.838 -16.259 7.619 321 HB2 ALA 46 HB2 ALA 46 -0.392 -16.269 8.628 322 HB3 ALA 46 HB3 ALA 46 -0.451 -15.257 7.185 323 H THR 47 H THR 47 -0.774 -14.834 11.202 324 HA THR 47 HA THR 47 -2.725 -16.630 12.162 325 HB THR 47 HB THR 47 -1.027 -14.815 13.875 326 HG1 THR 47 HG1 THR 47 -0.341 -17.265 12.568 327 HG21 THR 47 HG21 THR 47 -2.734 -16.140 15.046 328 HG22 THR 47 HG22 THR 47 -1.108 -16.688 15.448 329 HG23 THR 47 HG23 THR 47 -2.089 -17.611 14.310 330 H MET 48 H MET 48 -2.292 -13.129 12.573 331 HA MET 48 HA MET 48 -4.893 -12.980 13.914 332 HB2 MET 48 HB2 MET 48 -2.911 -11.808 14.903 333 HB3 MET 48 HB3 MET 48 -2.875 -10.769 13.485 334 HG2 MET 48 HG2 MET 48 -5.099 -9.936 14.024 335 HG3 MET 48 HG3 MET 48 -5.161 -10.992 15.433 336 HE1 MET 48 HE1 MET 48 -2.258 -9.490 17.639 337 HE2 MET 48 HE2 MET 48 -2.154 -10.807 16.472 338 HE3 MET 48 HE3 MET 48 -3.534 -10.706 17.565 339 H ARG 49 H ARG 49 -3.411 -10.560 11.788 340 HA ARG 49 HA ARG 49 -5.131 -11.037 9.592 341 HB2 ARG 49 HB2 ARG 49 -6.526 -9.025 9.710 342 HB3 ARG 49 HB3 ARG 49 -6.839 -10.091 11.069 343 HG2 ARG 49 HG2 ARG 49 -5.598 -8.672 12.549 344 HG3 ARG 49 HG3 ARG 49 -5.060 -7.665 11.205 345 HD2 ARG 49 HD2 ARG 49 -7.421 -7.060 10.771 346 HD3 ARG 49 HD3 ARG 49 -7.889 -7.988 12.195 347 HE ARG 49 HE ARG 49 -6.018 -5.714 12.397 348 HH11 ARG 49 HH11 ARG 49 -9.039 -7.264 13.249 349 HH12 ARG 49 HH12 ARG 49 -9.336 -6.232 14.613 350 HH21 ARG 49 HH21 ARG 49 -6.426 -4.321 14.172 351 HH22 ARG 49 HH22 ARG 49 -7.855 -4.564 15.136 352 H ASN 50 H ASN 50 -3.417 -8.461 11.320 353 HA ASN 50 HA ASN 50 -2.056 -6.788 10.681 354 HB2 ASN 50 HB2 ASN 50 -1.065 -9.200 9.346 355 HB3 ASN 50 HB3 ASN 50 -0.506 -7.697 8.622 356 HD21 ASN 50 HD21 ASN 50 -1.256 -8.076 12.034 357 HD22 ASN 50 HD22 ASN 50 0.371 -7.912 12.591 358 H VAL 51 H VAL 51 -2.153 -8.112 7.420 359 HA VAL 51 HA VAL 51 -2.509 -5.544 6.293 360 HB VAL 51 HB VAL 51 -2.954 -8.207 4.930 361 HG11 VAL 51 HG11 VAL 51 -3.774 -6.324 3.640 362 HG12 VAL 51 HG12 VAL 51 -2.319 -6.984 2.894 363 HG13 VAL 51 HG13 VAL 51 -2.230 -5.492 3.832 364 HG21 VAL 51 HG21 VAL 51 -0.598 -8.055 4.245 365 HG22 VAL 51 HG22 VAL 51 -0.777 -8.201 5.992 366 HG23 VAL 51 HG23 VAL 51 -0.403 -6.635 5.273 367 H ALA 52 H ALA 52 -4.697 -8.195 7.024 368 HA ALA 52 HA ALA 52 -6.904 -7.464 5.498 369 HB1 ALA 52 HB1 ALA 52 -6.958 -8.780 8.205 370 HB2 ALA 52 HB2 ALA 52 -6.660 -9.609 6.678 371 HB3 ALA 52 HB3 ALA 52 -8.220 -8.842 6.976 372 H GLY 53 H GLY 53 -5.856 -6.233 8.625 373 HA2 GLY 53 HA2 GLY 53 -8.293 -4.822 9.179 374 HA3 GLY 53 HA3 GLY 53 -6.758 -4.618 10.012 375 H GLU 54 H GLU 54 -5.091 -3.869 8.013 376 HA GLU 54 HA GLU 54 -5.711 -1.127 7.757 377 HB2 GLU 54 HB2 GLU 54 -3.505 -2.879 6.730 378 HB3 GLU 54 HB3 GLU 54 -3.623 -1.205 6.213 379 HG2 GLU 54 HG2 GLU 54 -2.078 -1.334 8.023 380 HG3 GLU 54 HG3 GLU 54 -3.525 -0.510 8.587 381 H ILE 55 H ILE 55 -6.152 -3.868 5.673 382 HA ILE 55 HA ILE 55 -6.514 -2.681 3.194 383 HB ILE 55 HB ILE 55 -7.795 -5.094 4.446 384 HG12 ILE 55 HG12 ILE 55 -5.431 -5.269 3.887 385 HG13 ILE 55 HG13 ILE 55 -6.384 -6.297 2.822 386 HG21 ILE 55 HG21 ILE 55 -9.425 -4.214 2.858 387 HG22 ILE 55 HG22 ILE 55 -8.719 -5.721 2.278 388 HG23 ILE 55 HG23 ILE 55 -8.190 -4.181 1.600 389 HD11 ILE 55 HD11 ILE 55 -4.625 -5.151 1.608 390 HD12 ILE 55 HD12 ILE 55 -5.265 -3.591 2.128 391 HD13 ILE 55 HD13 ILE 55 -6.216 -4.624 1.060 392 H ALA 56 H ALA 56 -8.612 -2.609 5.986 393 HA ALA 56 HA ALA 56 -11.100 -2.159 4.896 394 HB1 ALA 56 HB1 ALA 56 -10.652 -2.401 7.301 395 HB2 ALA 56 HB2 ALA 56 -11.678 -1.011 6.948 396 HB3 ALA 56 HB3 ALA 56 -9.972 -0.774 7.326 397 H ALA 57 H ALA 57 -8.556 0.260 5.452 398 HA ALA 57 HA ALA 57 -10.137 2.480 4.652 399 HB1 ALA 57 HB1 ALA 57 -8.056 3.729 4.635 400 HB2 ALA 57 HB2 ALA 57 -7.136 2.226 4.718 401 HB3 ALA 57 HB3 ALA 57 -8.159 2.710 6.070 402 H ALA 58 H ALA 58 -8.034 0.271 2.933 403 HA ALA 58 HA ALA 58 -8.015 1.797 0.499 404 HB1 ALA 58 HB1 ALA 58 -7.246 -1.084 0.976 405 HB2 ALA 58 HB2 ALA 58 -6.158 0.300 1.082 406 HB3 ALA 58 HB3 ALA 58 -6.882 -0.138 -0.466 407 H LEU 59 H LEU 59 -9.785 -0.956 1.787 408 HA LEU 59 HA LEU 59 -11.041 -1.811 -0.559 409 HB2 LEU 59 HB2 LEU 59 -10.927 -3.111 1.522 410 HB3 LEU 59 HB3 LEU 59 -12.007 -1.974 2.298 411 HG LEU 59 HG LEU 59 -12.991 -3.350 -0.153 412 HD11 LEU 59 HD11 LEU 59 -11.957 -5.171 1.076 413 HD12 LEU 59 HD12 LEU 59 -13.714 -5.276 1.197 414 HD13 LEU 59 HD13 LEU 59 -12.773 -4.661 2.555 415 HD21 LEU 59 HD21 LEU 59 -14.254 -2.588 2.481 416 HD22 LEU 59 HD22 LEU 59 -15.096 -3.273 1.091 417 HD23 LEU 59 HD23 LEU 59 -14.364 -1.672 0.975 418 H TYR 60 H TYR 60 -12.262 0.392 1.975 419 HA TYR 60 HA TYR 60 -14.671 0.963 0.570 420 HB2 TYR 60 HB2 TYR 60 -13.275 2.447 2.809 421 HB3 TYR 60 HB3 TYR 60 -14.858 2.891 2.177 422 HD1 TYR 60 HD2 TYR 60 -16.434 0.624 1.964 423 HD2 TYR 60 HD1 TYR 60 -13.361 1.333 4.820 424 HE1 TYR 60 HE2 TYR 60 -17.489 -0.987 3.491 425 HE2 TYR 60 HE1 TYR 60 -14.407 -0.278 6.354 426 HH TYR 60 HH TYR 60 -16.635 -2.507 5.434 427 H ALA 61 H ALA 61 -11.454 2.286 0.485 428 HA ALA 61 HA ALA 61 -12.065 4.688 -0.874 429 HB1 ALA 61 HB1 ALA 61 -9.703 4.735 -1.488 430 HB2 ALA 61 HB2 ALA 61 -9.525 3.063 -0.949 431 HB3 ALA 61 HB3 ALA 61 -9.914 4.331 0.215 432 H VAL 62 H VAL 62 -11.376 1.398 -1.980 433 HA VAL 62 HA VAL 62 -11.391 1.880 -4.752 434 HB VAL 62 HB VAL 62 -12.507 -0.580 -3.379 435 HG11 VAL 62 HG11 VAL 62 -11.840 -1.730 -5.446 436 HG12 VAL 62 HG12 VAL 62 -11.343 -0.184 -6.132 437 HG13 VAL 62 HG13 VAL 62 -13.039 -0.470 -5.743 438 HG21 VAL 62 HG21 VAL 62 -10.298 -1.558 -3.523 439 HG22 VAL 62 HG22 VAL 62 -10.243 -0.077 -2.566 440 HG23 VAL 62 HG23 VAL 62 -9.664 -0.074 -4.232 441 H LYS 63 H LYS 63 -13.961 1.169 -2.464 442 HA LYS 63 HA LYS 63 -16.074 1.067 -4.327 443 HB2 LYS 63 HB2 LYS 63 -16.064 1.589 -1.358 444 HB3 LYS 63 HB3 LYS 63 -17.507 1.256 -2.302 445 HG2 LYS 63 HG2 LYS 63 -16.387 -0.911 -2.984 446 HG3 LYS 63 HG3 LYS 63 -15.203 -0.574 -1.721 447 HD2 LYS 63 HD2 LYS 63 -16.932 -0.558 -0.043 448 HD3 LYS 63 HD3 LYS 63 -18.175 -0.740 -1.281 449 HE2 LYS 63 HE2 LYS 63 -16.925 -2.905 -1.910 450 HE3 LYS 63 HE3 LYS 63 -16.149 -2.741 -0.335 451 HZ1 LYS 63 HZ1 LYS 63 -18.399 -2.667 0.654 452 HZ2 LYS 63 HZ2 LYS 63 -18.057 -4.138 -0.118 453 HZ3 LYS 63 HZ3 LYS 63 -19.051 -2.997 -0.878 454 H LYS 64 H LYS 64 -14.877 3.643 -2.208 455 HA LYS 64 HA LYS 64 -16.796 5.580 -2.896 456 HB2 LYS 64 HB2 LYS 64 -13.947 5.888 -1.936 457 HB3 LYS 64 HB3 LYS 64 -15.070 7.232 -2.098 458 HG2 LYS 64 HG2 LYS 64 -16.535 6.278 -0.447 459 HG3 LYS 64 HG3 LYS 64 -15.548 4.819 -0.363 460 HD2 LYS 64 HD2 LYS 64 -15.092 6.258 1.538 461 HD3 LYS 64 HD3 LYS 64 -13.673 6.158 0.495 462 HE2 LYS 64 HE2 LYS 64 -14.128 8.315 -0.435 463 HE3 LYS 64 HE3 LYS 64 -15.684 8.397 0.390 464 HZ1 LYS 64 HZ1 LYS 64 -14.531 8.450 2.507 465 HZ2 LYS 64 HZ2 LYS 64 -13.994 9.722 1.516 466 HZ3 LYS 64 HZ3 LYS 64 -13.030 8.345 1.726 467 H ALA 65 H ALA 65 -13.661 4.803 -4.365 468 HA ALA 65 HA ALA 65 -13.779 6.906 -6.286 469 HB1 ALA 65 HB1 ALA 65 -11.666 5.869 -5.645 470 HB2 ALA 65 HB2 ALA 65 -11.935 5.754 -7.385 471 HB3 ALA 65 HB3 ALA 65 -12.194 4.344 -6.358 472 H SER 66 H SER 66 -14.880 3.581 -6.197 473 HA SER 66 HA SER 66 -15.576 3.276 -8.900 474 HB2 SER 66 HB2 SER 66 -15.494 1.408 -7.288 475 HB3 SER 66 HB3 SER 66 -16.890 2.074 -6.445 476 HG SER 66 HG SER 66 -17.099 1.552 -9.197 477 H GLN 67 H GLN 67 -17.347 4.598 -6.140 478 HA GLN 67 HA GLN 67 -19.710 5.179 -7.644 479 HB2 GLN 67 HB2 GLN 67 -19.429 4.840 -5.081 480 HB3 GLN 67 HB3 GLN 67 -18.973 6.538 -5.070 481 HG2 GLN 67 HG2 GLN 67 -21.144 7.029 -6.215 482 HG3 GLN 67 HG3 GLN 67 -21.591 5.347 -5.935 483 HE21 GLN 67 HE21 GLN 67 -20.963 8.431 -4.482 484 HE22 GLN 67 HE22 GLN 67 -21.655 8.069 -2.928 485 H LEU 68 H LEU 68 -16.769 6.887 -6.832 486 HA LEU 68 HA LEU 68 -17.691 9.464 -7.651 487 HB2 LEU 68 HB2 LEU 68 -15.791 9.030 -6.069 488 HB3 LEU 68 HB3 LEU 68 -14.845 8.479 -7.438 489 HG LEU 68 HG LEU 68 -15.030 10.732 -8.448 490 HD11 LEU 68 HD11 LEU 68 -15.848 12.590 -7.087 491 HD12 LEU 68 HD12 LEU 68 -16.363 11.452 -5.841 492 HD13 LEU 68 HD13 LEU 68 -17.130 11.428 -7.429 493 HD21 LEU 68 HD21 LEU 68 -13.080 10.173 -7.119 494 HD22 LEU 68 HD22 LEU 68 -13.921 10.649 -5.645 495 HD23 LEU 68 HD23 LEU 68 -13.523 11.861 -6.864 496 H GLY 69 H GLY 69 -16.329 6.708 -9.243 497 HA2 GLY 69 HA2 GLY 69 -16.434 6.227 -11.510 498 HA3 GLY 69 HA3 GLY 69 -16.941 7.880 -11.817 499 H VAL 70 H VAL 70 -14.042 6.814 -10.093 500 HA VAL 70 HA VAL 70 -12.400 7.765 -12.337 501 HB VAL 70 HB VAL 70 -10.837 8.860 -10.754 502 HG11 VAL 70 HG11 VAL 70 -12.191 10.864 -10.356 503 HG12 VAL 70 HG12 VAL 70 -13.655 9.939 -10.684 504 HG13 VAL 70 HG13 VAL 70 -12.470 10.201 -11.965 505 HG21 VAL 70 HG21 VAL 70 -11.569 9.366 -8.477 506 HG22 VAL 70 HG22 VAL 70 -11.462 7.625 -8.735 507 HG23 VAL 70 HG23 VAL 70 -13.036 8.421 -8.731 508 H LYS 71 H LYS 71 -9.995 7.258 -11.814 509 HA LYS 71 HA LYS 71 -9.819 4.566 -10.616 510 HB2 LYS 71 HB2 LYS 71 -8.003 5.741 -12.724 511 HB3 LYS 71 HB3 LYS 71 -8.032 4.079 -12.149 512 HG2 LYS 71 HG2 LYS 71 -10.122 3.671 -13.191 513 HG3 LYS 71 HG3 LYS 71 -10.329 5.383 -13.579 514 HD2 LYS 71 HD2 LYS 71 -8.282 5.239 -14.994 515 HD3 LYS 71 HD3 LYS 71 -8.254 3.498 -14.694 516 HE2 LYS 71 HE2 LYS 71 -10.446 3.276 -15.706 517 HE3 LYS 71 HE3 LYS 71 -10.520 5.015 -15.970 518 HZ1 LYS 71 HZ1 LYS 71 -9.873 3.767 -17.966 519 HZ2 LYS 71 HZ2 LYS 71 -8.479 3.218 -17.171 520 HZ3 LYS 71 HZ3 LYS 71 -8.679 4.872 -17.481 521 H ILE 72 H ILE 72 -7.696 4.056 -9.674 522 HA ILE 72 HA ILE 72 -6.218 6.451 -8.786 523 HB ILE 72 HB ILE 72 -5.775 5.500 -6.668 524 HG12 ILE 72 HG12 ILE 72 -7.022 3.103 -6.319 525 HG13 ILE 72 HG13 ILE 72 -6.491 2.956 -7.989 526 HG21 ILE 72 HG21 ILE 72 -7.993 5.095 -5.715 527 HG22 ILE 72 HG22 ILE 72 -8.646 4.882 -7.339 528 HG23 ILE 72 HG23 ILE 72 -7.999 6.447 -6.848 529 HD11 ILE 72 HD11 ILE 72 -4.194 3.391 -7.310 530 HD12 ILE 72 HD12 ILE 72 -4.866 2.011 -6.440 531 HD13 ILE 72 HD13 ILE 72 -4.717 3.574 -5.635 532 H ARG 73 H ARG 73 -3.898 6.069 -8.430 533 HA ARG 73 HA ARG 73 -2.869 3.710 -9.870 534 HB2 ARG 73 HB2 ARG 73 -1.812 6.545 -9.987 535 HB3 ARG 73 HB3 ARG 73 -0.923 5.150 -10.574 536 HG2 ARG 73 HG2 ARG 73 -1.879 6.105 -12.478 537 HG3 ARG 73 HG3 ARG 73 -2.914 4.728 -12.109 538 HD2 ARG 73 HD2 ARG 73 -4.560 6.167 -11.107 539 HD3 ARG 73 HD3 ARG 73 -3.493 7.561 -11.264 540 HE ARG 73 HE ARG 73 -4.085 6.292 -13.766 541 HH11 ARG 73 HH11 ARG 73 -5.234 8.604 -11.402 542 HH12 ARG 73 HH12 ARG 73 -6.155 9.521 -12.561 543 HH21 ARG 73 HH21 ARG 73 -5.286 7.467 -15.285 544 HH22 ARG 73 HH22 ARG 73 -6.171 8.885 -14.784 545 H ILE 74 H ILE 74 -1.974 2.437 -8.331 546 HA ILE 74 HA ILE 74 -0.437 3.771 -6.218 547 HB ILE 74 HB ILE 74 -2.269 2.053 -5.660 548 HG12 ILE 74 HG12 ILE 74 -0.580 2.923 -4.048 549 HG13 ILE 74 HG13 ILE 74 -1.133 1.295 -3.684 550 HG21 ILE 74 HG21 ILE 74 -1.562 -0.297 -5.566 551 HG22 ILE 74 HG22 ILE 74 -0.121 0.122 -6.495 552 HG23 ILE 74 HG23 ILE 74 -1.720 0.308 -7.214 553 HD11 ILE 74 HD11 ILE 74 1.230 1.472 -3.301 554 HD12 ILE 74 HD12 ILE 74 1.489 2.062 -4.943 555 HD13 ILE 74 HD13 ILE 74 0.937 0.408 -4.678 556 H LEU 75 H LEU 75 1.656 3.916 -6.457 557 HA LEU 75 HA LEU 75 2.904 2.476 -8.657 558 HB2 LEU 75 HB2 LEU 75 3.840 4.813 -6.994 559 HB3 LEU 75 HB3 LEU 75 4.797 4.077 -8.262 560 HG LEU 75 HG LEU 75 2.862 4.662 -9.839 561 HD11 LEU 75 HD11 LEU 75 1.494 6.579 -9.155 562 HD12 LEU 75 HD12 LEU 75 2.147 6.449 -7.521 563 HD13 LEU 75 HD13 LEU 75 1.162 5.146 -8.184 564 HD21 LEU 75 HD21 LEU 75 4.470 6.863 -8.558 565 HD22 LEU 75 HD22 LEU 75 3.692 6.940 -10.139 566 HD23 LEU 75 HD23 LEU 75 5.007 5.800 -9.860 567 H HIS 76 H HIS 76 4.017 0.698 -8.326 568 HA HIS 76 HA HIS 76 6.189 0.530 -6.590 569 HB2 HIS 76 HB2 HIS 76 5.520 -0.973 -4.863 570 HB3 HIS 76 HB3 HIS 76 4.348 0.336 -4.855 571 HD1 HIS 76 HD1 HIS 76 4.609 -3.271 -4.895 572 HD2 HIS 76 HD2 HIS 76 1.843 -0.460 -6.235 573 HE1 HIS 76 HE1 HIS 76 2.451 -4.525 -5.185 574 HE2 HIS 76 HE2 HIS 76 0.853 -2.845 -6.169 575 H ASP 77 H ASP 77 6.379 -2.163 -6.153 576 HA ASP 77 HA ASP 77 7.217 -3.143 -8.650 577 HB2 ASP 77 HB2 ASP 77 7.752 -5.172 -7.435 578 HB3 ASP 77 HB3 ASP 77 8.161 -3.779 -6.434 579 H TYR 78 H TYR 78 6.619 -5.450 -9.327 580 HA TYR 78 HA TYR 78 3.694 -5.835 -9.279 581 HB2 TYR 78 HB2 TYR 78 5.712 -6.320 -11.460 582 HB3 TYR 78 HB3 TYR 78 4.162 -7.151 -11.453 583 HD1 TYR 78 HD1 TYR 78 2.055 -5.764 -11.523 584 HD2 TYR 78 HD2 TYR 78 5.898 -4.117 -12.282 585 HE1 TYR 78 HE1 TYR 78 1.004 -3.855 -12.654 586 HE2 TYR 78 HE2 TYR 78 4.856 -2.197 -13.407 587 HH TYR 78 HH TYR 78 1.486 -1.571 -13.238 588 H ALA 79 H ALA 79 6.038 -6.887 -7.585 589 HA ALA 79 HA ALA 79 5.905 -9.743 -8.195 590 HB1 ALA 79 HB1 ALA 79 7.599 -8.285 -6.172 591 HB2 ALA 79 HB2 ALA 79 8.107 -8.748 -7.795 592 HB3 ALA 79 HB3 ALA 79 7.725 -9.991 -6.604 593 H GLY 80 H GLY 80 5.292 -7.489 -5.521 594 HA2 GLY 80 HA2 GLY 80 4.375 -9.575 -3.764 595 HA3 GLY 80 HA3 GLY 80 4.298 -7.848 -3.464 596 H ILE 81 H ILE 81 2.882 -8.027 -6.335 597 HA ILE 81 HA ILE 81 0.284 -7.688 -5.222 598 HB ILE 81 HB ILE 81 -0.491 -7.437 -7.559 599 HG12 ILE 81 HG12 ILE 81 1.543 -7.185 -9.226 600 HG13 ILE 81 HG13 ILE 81 2.303 -8.351 -8.152 601 HG21 ILE 81 HG21 ILE 81 0.758 -5.384 -8.017 602 HG22 ILE 81 HG22 ILE 81 1.984 -5.873 -6.849 603 HG23 ILE 81 HG23 ILE 81 0.340 -5.531 -6.311 604 HD11 ILE 81 HD11 ILE 81 0.454 -9.907 -8.565 605 HD12 ILE 81 HD12 ILE 81 1.295 -9.458 -10.048 606 HD13 ILE 81 HD13 ILE 81 -0.269 -8.739 -9.670 607 H ALA 82 H ALA 82 2.014 -10.394 -6.386 608 HA ALA 82 HA ALA 82 -0.188 -11.981 -7.242 609 HB1 ALA 82 HB1 ALA 82 2.083 -12.424 -8.003 610 HB2 ALA 82 HB2 ALA 82 1.397 -13.841 -7.206 611 HB3 ALA 82 HB3 ALA 82 2.565 -12.828 -6.356 612 H PHE 83 H PHE 83 1.142 -11.197 -4.172 613 HA PHE 83 HA PHE 83 0.282 -13.561 -2.807 614 HB2 PHE 83 HB2 PHE 83 2.196 -12.032 -2.114 615 HB3 PHE 83 HB3 PHE 83 0.971 -10.907 -1.539 616 HD1 PHE 83 HD1 PHE 83 2.242 -14.363 -1.129 617 HD2 PHE 83 HD2 PHE 83 0.029 -11.160 0.588 618 HE1 PHE 83 HE1 PHE 83 2.175 -15.565 1.014 619 HE2 PHE 83 HE2 PHE 83 -0.040 -12.358 2.738 620 HZ PHE 83 HZ PHE 83 1.034 -14.563 2.952 621 H TRP 84 H TRP 84 -1.267 -10.699 -3.841 622 HA TRP 84 HA TRP 84 -3.366 -10.691 -1.897 623 HB2 TRP 84 HB2 TRP 84 -2.725 -8.755 -3.444 624 HB3 TRP 84 HB3 TRP 84 -3.564 -9.628 -4.721 625 HD1 TRP 84 HD1 TRP 84 -6.247 -10.438 -3.594 626 HE1 TRP 84 HE1 TRP 84 -7.959 -8.760 -2.662 627 HE3 TRP 84 HE3 TRP 84 -3.100 -6.524 -2.630 628 HZ2 TRP 84 HZ2 TRP 84 -7.976 -6.118 -1.671 629 HZ3 TRP 84 HZ3 TRP 84 -4.047 -4.458 -1.697 630 HH2 TRP 84 HH2 TRP 84 -6.434 -4.257 -1.226 631 H ALA 85 H ALA 85 -3.090 -11.824 -5.242 632 HA ALA 85 HA ALA 85 -5.615 -13.040 -5.427 633 HB1 ALA 85 HB1 ALA 85 -4.243 -12.489 -7.370 634 HB2 ALA 85 HB2 ALA 85 -4.712 -14.188 -7.377 635 HB3 ALA 85 HB3 ALA 85 -3.077 -13.727 -6.902 636 H THR 86 H THR 86 -2.468 -14.291 -4.414 637 HA THR 86 HA THR 86 -3.566 -16.933 -3.930 638 HB THR 86 HB THR 86 -1.229 -17.431 -3.099 639 HG1 THR 86 HG1 THR 86 -0.636 -14.880 -4.238 640 HG21 THR 86 HG21 THR 86 -1.918 -17.978 -5.372 641 HG22 THR 86 HG22 THR 86 -0.241 -17.428 -5.352 642 HG23 THR 86 HG23 THR 86 -1.521 -16.344 -5.900 643 H GLY 87 H GLY 87 -4.347 -14.438 -2.378 644 HA2 GLY 87 HA2 GLY 87 -3.367 -14.772 0.285 645 HA3 GLY 87 HA3 GLY 87 -4.745 -13.796 -0.201 646 H GLU 88 H GLU 88 -5.547 -16.565 -1.520 647 HA GLU 88 HA GLU 88 -6.987 -17.542 0.838 648 HB2 GLU 88 HB2 GLU 88 -7.994 -17.050 -1.558 649 HB3 GLU 88 HB3 GLU 88 -7.338 -18.633 -1.940 650 HG2 GLU 88 HG2 GLU 88 -9.331 -18.041 0.237 651 HG3 GLU 88 HG3 GLU 88 -9.705 -18.715 -1.346 652 H TRP 89 H TRP 89 -5.274 -18.869 -1.965 653 HA TRP 89 HA TRP 89 -3.610 -20.545 -0.317 654 HB2 TRP 89 HB2 TRP 89 -5.685 -21.909 -0.619 655 HB3 TRP 89 HB3 TRP 89 -5.476 -21.793 -2.361 656 HD1 TRP 89 HD1 TRP 89 -3.158 -22.924 0.557 657 HE1 TRP 89 HE1 TRP 89 -2.001 -25.112 -0.158 658 HE3 TRP 89 HE3 TRP 89 -5.250 -23.462 -4.076 659 HZ2 TRP 89 HZ2 TRP 89 -2.001 -26.841 -2.391 660 HZ3 TRP 89 HZ3 TRP 89 -4.628 -25.414 -5.433 661 HH2 TRP 89 HH2 TRP 89 -3.036 -27.068 -4.607 662 H LYS 90 H LYS 90 -1.921 -21.603 -1.730 663 HA LYS 90 HA LYS 90 -0.996 -19.691 -3.634 664 HB2 LYS 90 HB2 LYS 90 0.519 -21.034 -2.186 665 HB3 LYS 90 HB3 LYS 90 0.059 -22.472 -3.088 666 HG2 LYS 90 HG2 LYS 90 1.074 -21.651 -5.077 667 HG3 LYS 90 HG3 LYS 90 1.324 -20.059 -4.360 668 HD2 LYS 90 HD2 LYS 90 2.639 -22.631 -3.486 669 HD3 LYS 90 HD3 LYS 90 3.404 -21.330 -4.402 670 HE2 LYS 90 HE2 LYS 90 2.919 -19.798 -2.499 671 HE3 LYS 90 HE3 LYS 90 2.337 -21.187 -1.586 672 HZ1 LYS 90 HZ1 LYS 90 4.577 -20.781 -0.964 673 HZ2 LYS 90 HZ2 LYS 90 5.092 -20.713 -2.577 674 HZ3 LYS 90 HZ3 LYS 90 4.582 -22.189 -1.917 675 H ALA 91 H ALA 91 -1.259 -19.636 -5.771 676 HA ALA 91 HA ALA 91 -3.218 -21.203 -7.032 677 HB1 ALA 91 HB1 ALA 91 -1.104 -19.456 -8.290 678 HB2 ALA 91 HB2 ALA 91 -2.687 -18.923 -7.728 679 HB3 ALA 91 HB3 ALA 91 -2.564 -20.047 -9.082 680 H LYS 92 H LYS 92 -2.879 -23.345 -7.124 681 HA LYS 92 HA LYS 92 -0.423 -24.274 -8.452 682 HB2 LYS 92 HB2 LYS 92 -0.507 -24.735 -5.992 683 HB3 LYS 92 HB3 LYS 92 -1.932 -25.722 -6.273 684 HG2 LYS 92 HG2 LYS 92 -0.033 -27.155 -6.059 685 HG3 LYS 92 HG3 LYS 92 -0.565 -27.187 -7.739 686 HD2 LYS 92 HD2 LYS 92 1.536 -25.230 -6.956 687 HD3 LYS 92 HD3 LYS 92 1.987 -26.927 -7.092 688 HE2 LYS 92 HE2 LYS 92 0.533 -25.457 -9.273 689 HE3 LYS 92 HE3 LYS 92 2.291 -25.493 -9.164 690 HZ1 LYS 92 HZ1 LYS 92 1.269 -27.219 -10.636 691 HZ2 LYS 92 HZ2 LYS 92 0.635 -27.953 -9.248 692 HZ3 LYS 92 HZ3 LYS 92 2.313 -27.817 -9.445 693 H ASN 93 H ASN 93 -3.890 -24.778 -7.980 694 HA ASN 93 HA ASN 93 -3.873 -26.555 -10.324 695 HB2 ASN 93 HB2 ASN 93 -3.946 -27.841 -8.150 696 HB3 ASN 93 HB3 ASN 93 -5.507 -27.095 -7.837 697 HD21 ASN 93 HD21 ASN 93 -4.782 -29.888 -8.172 698 HD22 ASN 93 HD22 ASN 93 -5.735 -30.494 -9.486 699 H GLU 94 H GLU 94 -4.828 -25.238 -11.728 700 HA GLU 94 HA GLU 94 -6.443 -24.118 -12.834 701 HB2 GLU 94 HB2 GLU 94 -7.968 -26.308 -11.477 702 HB3 GLU 94 HB3 GLU 94 -8.731 -25.223 -12.635 703 HG2 GLU 94 HG2 GLU 94 -6.414 -27.074 -13.131 704 HG3 GLU 94 HG3 GLU 94 -8.050 -27.212 -13.773 705 H PHE 95 H PHE 95 -8.555 -24.802 -10.057 706 HA PHE 95 HA PHE 95 -10.023 -22.482 -10.401 707 HB2 PHE 95 HB2 PHE 95 -10.995 -22.908 -8.194 708 HB3 PHE 95 HB3 PHE 95 -10.864 -24.384 -9.135 709 HD1 PHE 95 HD1 PHE 95 -9.243 -26.108 -8.522 710 HD2 PHE 95 HD2 PHE 95 -9.778 -22.617 -6.155 711 HE1 PHE 95 HE1 PHE 95 -8.099 -27.213 -6.645 712 HE2 PHE 95 HE2 PHE 95 -8.628 -23.708 -4.276 713 HZ PHE 95 HZ PHE 95 -7.787 -26.008 -4.517 714 H THR 96 H THR 96 -7.194 -22.999 -8.369 715 HA THR 96 HA THR 96 -7.315 -20.480 -7.060 716 HB THR 96 HB THR 96 -4.635 -21.649 -7.482 717 HG1 THR 96 HG1 THR 96 -6.382 -23.086 -5.792 718 HG21 THR 96 HG21 THR 96 -4.495 -21.335 -5.078 719 HG22 THR 96 HG22 THR 96 -6.223 -21.000 -4.993 720 HG23 THR 96 HG23 THR 96 -5.149 -19.878 -5.829 721 H GLN 97 H GLN 97 -5.681 -21.634 -9.970 722 HA GLN 97 HA GLN 97 -4.273 -19.280 -10.607 723 HB2 GLN 97 HB2 GLN 97 -5.216 -21.677 -12.159 724 HB3 GLN 97 HB3 GLN 97 -4.403 -20.346 -12.953 725 HG2 GLN 97 HG2 GLN 97 -3.153 -21.656 -10.586 726 HG3 GLN 97 HG3 GLN 97 -3.043 -22.403 -12.181 727 HE21 GLN 97 HE21 GLN 97 -1.866 -21.405 -13.785 728 HE22 GLN 97 HE22 GLN 97 -0.737 -20.135 -13.460 729 H ALA 98 H ALA 98 -7.432 -20.546 -11.548 730 HA ALA 98 HA ALA 98 -8.162 -18.474 -13.300 731 HB1 ALA 98 HB1 ALA 98 -10.445 -19.280 -13.025 732 HB2 ALA 98 HB2 ALA 98 -9.957 -20.219 -11.614 733 HB3 ALA 98 HB3 ALA 98 -9.325 -20.630 -13.209 734 H TYR 99 H TYR 99 -8.852 -18.946 -9.839 735 HA TYR 99 HA TYR 99 -10.305 -16.570 -9.478 736 HB2 TYR 99 HB2 TYR 99 -9.088 -18.615 -7.759 737 HB3 TYR 99 HB3 TYR 99 -9.204 -17.023 -7.018 738 HD1 TYR 99 HD2 TYR 99 -11.236 -19.597 -8.789 739 HD2 TYR 99 HD1 TYR 99 -11.227 -16.293 -6.107 740 HE1 TYR 99 HE2 TYR 99 -13.617 -19.985 -8.308 741 HE2 TYR 99 HE1 TYR 99 -13.605 -16.677 -5.618 742 HH TYR 99 HH TYR 99 -15.253 -19.515 -6.589 743 H ALA 100 H ALA 100 -6.854 -17.234 -9.320 744 HA ALA 100 HA ALA 100 -5.969 -14.831 -8.221 745 HB1 ALA 100 HB1 ALA 100 -4.634 -16.539 -10.324 746 HB2 ALA 100 HB2 ALA 100 -4.489 -16.728 -8.576 747 HB3 ALA 100 HB3 ALA 100 -3.841 -15.289 -9.365 748 H LYS 101 H LYS 101 -6.539 -15.682 -11.623 749 HA LYS 101 HA LYS 101 -5.948 -13.018 -12.533 750 HB2 LYS 101 HB2 LYS 101 -7.280 -15.285 -14.034 751 HB3 LYS 101 HB3 LYS 101 -6.564 -13.842 -14.740 752 HG2 LYS 101 HG2 LYS 101 -4.368 -14.567 -13.787 753 HG3 LYS 101 HG3 LYS 101 -5.141 -16.079 -13.319 754 HD2 LYS 101 HD2 LYS 101 -4.980 -15.031 -16.145 755 HD3 LYS 101 HD3 LYS 101 -3.877 -16.217 -15.451 756 HE2 LYS 101 HE2 LYS 101 -5.414 -17.514 -16.622 757 HE3 LYS 101 HE3 LYS 101 -5.988 -17.597 -14.959 758 HZ1 LYS 101 HZ1 LYS 101 -7.661 -17.152 -16.839 759 HZ2 LYS 101 HZ2 LYS 101 -7.061 -15.565 -16.808 760 HZ3 LYS 101 HZ3 LYS 101 -7.777 -16.229 -15.423 761 H LEU 102 H LEU 102 -8.758 -14.774 -11.523 762 HA LEU 102 HA LEU 102 -10.754 -13.146 -12.669 763 HB2 LEU 102 HB2 LEU 102 -11.209 -15.357 -11.709 764 HB3 LEU 102 HB3 LEU 102 -10.808 -14.755 -10.114 765 HG LEU 102 HG LEU 102 -12.740 -13.197 -10.257 766 HD11 LEU 102 HD11 LEU 102 -13.347 -14.713 -12.791 767 HD12 LEU 102 HD12 LEU 102 -12.907 -13.009 -12.672 768 HD13 LEU 102 HD13 LEU 102 -14.431 -13.576 -11.989 769 HD21 LEU 102 HD21 LEU 102 -14.455 -14.910 -9.926 770 HD22 LEU 102 HD22 LEU 102 -12.947 -15.339 -9.118 771 HD23 LEU 102 HD23 LEU 102 -13.385 -16.118 -10.639 772 H MET 103 H MET 103 -8.992 -12.968 -9.596 773 HA MET 103 HA MET 103 -10.415 -10.760 -8.557 774 HB2 MET 103 HB2 MET 103 -7.597 -11.715 -8.031 775 HB3 MET 103 HB3 MET 103 -8.379 -10.427 -7.124 776 HG2 MET 103 HG2 MET 103 -9.277 -13.297 -7.288 777 HG3 MET 103 HG3 MET 103 -8.492 -12.517 -5.916 778 HE1 MET 103 HE1 MET 103 -11.232 -9.958 -4.761 779 HE2 MET 103 HE2 MET 103 -9.872 -9.678 -5.848 780 HE3 MET 103 HE3 MET 103 -9.653 -10.655 -4.396 781 H ASN 104 H ASN 104 -7.489 -10.998 -10.526 782 HA ASN 104 HA ASN 104 -6.905 -8.232 -10.616 783 HB2 ASN 104 HB2 ASN 104 -5.291 -10.014 -11.236 784 HB3 ASN 104 HB3 ASN 104 -6.250 -10.362 -12.669 785 HD21 ASN 104 HD21 ASN 104 -4.620 -9.886 -14.085 786 HD22 ASN 104 HD22 ASN 104 -4.049 -8.272 -14.354 787 H GLN 105 H GLN 105 -8.889 -10.336 -12.598 788 HA GLN 105 HA GLN 105 -9.512 -8.690 -14.742 789 HB2 GLN 105 HB2 GLN 105 -10.382 -11.148 -13.696 790 HB3 GLN 105 HB3 GLN 105 -11.831 -10.168 -13.841 791 HG2 GLN 105 HG2 GLN 105 -9.975 -10.302 -16.155 792 HG3 GLN 105 HG3 GLN 105 -10.979 -11.703 -15.801 793 HE21 GLN 105 HE21 GLN 105 -11.904 -8.333 -15.300 794 HE22 GLN 105 HE22 GLN 105 -13.156 -8.319 -16.495 795 H TYR 106 H TYR 106 -10.871 -8.755 -11.492 796 HA TYR 106 HA TYR 106 -12.967 -6.889 -12.145 797 HB2 TYR 106 HB2 TYR 106 -13.388 -8.609 -10.482 798 HB3 TYR 106 HB3 TYR 106 -12.056 -8.023 -9.492 799 HD1 TYR 106 HD2 TYR 106 -15.014 -6.443 -11.160 800 HD2 TYR 106 HD1 TYR 106 -12.775 -6.964 -7.581 801 HE1 TYR 106 HE2 TYR 106 -16.552 -4.934 -9.987 802 HE2 TYR 106 HE1 TYR 106 -14.309 -5.452 -6.396 803 HH TYR 106 HH TYR 106 -15.955 -3.888 -6.684 804 H ARG 107 H ARG 107 -9.680 -6.608 -11.209 805 HA ARG 107 HA ARG 107 -9.997 -4.151 -9.764 806 HB2 ARG 107 HB2 ARG 107 -7.455 -5.224 -10.982 807 HB3 ARG 107 HB3 ARG 107 -7.603 -4.052 -9.687 808 HG2 ARG 107 HG2 ARG 107 -8.106 -7.002 -9.606 809 HG3 ARG 107 HG3 ARG 107 -6.977 -6.046 -8.650 810 HD2 ARG 107 HD2 ARG 107 -9.975 -5.808 -8.464 811 HD3 ARG 107 HD3 ARG 107 -9.004 -6.830 -7.409 812 HE ARG 107 HE ARG 107 -7.911 -4.317 -7.198 813 HH11 ARG 107 HH11 ARG 107 -11.066 -5.734 -6.700 814 HH12 ARG 107 HH12 ARG 107 -11.508 -4.661 -5.404 815 HH21 ARG 107 HH21 ARG 107 -8.475 -2.884 -5.478 816 HH22 ARG 107 HH22 ARG 107 -10.028 -3.037 -4.721 817 H GLY 108 H GLY 108 -10.536 -2.342 -10.690 818 HA2 GLY 108 HA2 GLY 108 -9.220 -1.527 -13.174 819 HA3 GLY 108 HA3 GLY 108 -10.978 -1.511 -13.121 820 H ILE 109 H ILE 109 -11.469 -0.611 -10.601 821 HA ILE 109 HA ILE 109 -10.979 2.162 -10.691 822 HB ILE 109 HB ILE 109 -11.766 0.466 -8.308 823 HG12 ILE 109 HG12 ILE 109 -14.066 1.569 -8.896 824 HG13 ILE 109 HG13 ILE 109 -13.360 1.761 -10.495 825 HG21 ILE 109 HG21 ILE 109 -11.982 3.437 -8.738 826 HG22 ILE 109 HG22 ILE 109 -10.896 2.615 -7.618 827 HG23 ILE 109 HG23 ILE 109 -12.639 2.549 -7.363 828 HD11 ILE 109 HD11 ILE 109 -13.717 -0.845 -9.029 829 HD12 ILE 109 HD12 ILE 109 -13.028 -0.649 -10.641 830 HD13 ILE 109 HD13 ILE 109 -14.721 -0.248 -10.352 831 H TYR 110 H TYR 110 -9.468 -0.493 -8.948 832 HA TYR 110 HA TYR 110 -7.238 1.291 -8.238 833 HB2 TYR 110 HB2 TYR 110 -8.519 -0.993 -6.866 834 HB3 TYR 110 HB3 TYR 110 -6.761 -1.017 -6.848 835 HD1 TYR 110 HD2 TYR 110 -9.435 1.575 -6.362 836 HD2 TYR 110 HD1 TYR 110 -5.831 -0.180 -4.935 837 HE1 TYR 110 HE2 TYR 110 -9.423 3.146 -4.467 838 HE2 TYR 110 HE1 TYR 110 -5.811 1.385 -3.040 839 HH TYR 110 HH TYR 110 -8.466 3.191 -2.136 840 H SER 111 H SER 111 -5.179 0.736 -8.891 841 HA SER 111 HA SER 111 -4.647 -1.848 -10.046 842 HB2 SER 111 HB2 SER 111 -3.847 -0.930 -12.207 843 HB3 SER 111 HB3 SER 111 -5.582 -0.695 -11.993 844 HG SER 111 HG SER 111 -3.502 1.170 -12.017 845 H PHE 112 H PHE 112 -2.310 -2.036 -10.618 846 HA PHE 112 HA PHE 112 -0.719 -0.208 -8.948 847 HB2 PHE 112 HB2 PHE 112 0.838 -2.387 -8.970 848 HB3 PHE 112 HB3 PHE 112 -0.431 -2.152 -7.774 849 HD1 PHE 112 HD1 PHE 112 0.441 -3.888 -10.914 850 HD2 PHE 112 HD2 PHE 112 -2.317 -3.576 -7.688 851 HE1 PHE 112 HE1 PHE 112 -0.608 -6.001 -11.613 852 HE2 PHE 112 HE2 PHE 112 -3.372 -5.688 -8.380 853 HZ PHE 112 HZ PHE 112 -2.519 -6.904 -10.344 854 H GLU 113 H GLU 113 1.047 0.690 -9.814 855 HA GLU 113 HA GLU 113 1.793 -0.086 -12.552 856 HB2 GLU 113 HB2 GLU 113 0.763 2.504 -11.558 857 HB3 GLU 113 HB3 GLU 113 2.166 2.607 -12.607 858 HG2 GLU 113 HG2 GLU 113 0.214 2.878 -13.934 859 HG3 GLU 113 HG3 GLU 113 0.913 1.311 -14.318 860 H LYS 114 H LYS 114 3.928 -0.136 -12.938 861 HA LYS 114 HA LYS 114 5.709 0.948 -10.868 862 HB2 LYS 114 HB2 LYS 114 6.054 -1.428 -11.256 863 HB3 LYS 114 HB3 LYS 114 6.234 -1.150 -12.982 864 HG2 LYS 114 HG2 LYS 114 8.391 -1.520 -11.982 865 HG3 LYS 114 HG3 LYS 114 8.276 0.148 -12.542 866 HD2 LYS 114 HD2 LYS 114 7.744 0.848 -10.225 867 HD3 LYS 114 HD3 LYS 114 7.975 -0.822 -9.698 868 HE2 LYS 114 HE2 LYS 114 10.294 -0.736 -10.526 869 HE3 LYS 114 HE3 LYS 114 10.053 0.948 -10.987 870 HZ1 LYS 114 HZ1 LYS 114 9.968 -0.170 -8.232 871 HZ2 LYS 114 HZ2 LYS 114 9.589 1.437 -8.624 872 HZ3 LYS 114 HZ3 LYS 114 11.159 0.852 -8.879 873 H VAL 115 H VAL 115 5.674 3.064 -11.551 874 HA VAL 115 HA VAL 115 7.265 3.568 -13.958 875 HB VAL 115 HB VAL 115 4.962 4.034 -14.607 876 HG11 VAL 115 HG11 VAL 115 3.630 5.771 -13.482 877 HG12 VAL 115 HG12 VAL 115 4.873 5.897 -12.237 878 HG13 VAL 115 HG13 VAL 115 3.968 4.396 -12.427 879 HG21 VAL 115 HG21 VAL 115 6.545 6.560 -14.144 880 HG22 VAL 115 HG22 VAL 115 5.179 6.408 -15.250 881 HG23 VAL 115 HG23 VAL 115 6.657 5.489 -15.539 882 H LYS 116 H LYS 116 8.813 5.135 -13.705 883 HA LYS 116 HA LYS 116 8.842 6.520 -11.098 884 HB2 LYS 116 HB2 LYS 116 10.549 4.544 -11.616 885 HB3 LYS 116 HB3 LYS 116 11.412 5.820 -12.458 886 HG2 LYS 116 HG2 LYS 116 10.632 5.840 -9.545 887 HG3 LYS 116 HG3 LYS 116 12.242 5.522 -10.190 888 HD2 LYS 116 HD2 LYS 116 12.253 7.790 -11.175 889 HD3 LYS 116 HD3 LYS 116 10.685 8.097 -10.425 890 HE2 LYS 116 HE2 LYS 116 12.447 9.056 -9.071 891 HE3 LYS 116 HE3 LYS 116 11.698 7.713 -8.211 892 HZ1 LYS 116 HZ1 LYS 116 14.117 7.252 -9.833 893 HZ2 LYS 116 HZ2 LYS 116 13.554 6.384 -8.487 894 HZ3 LYS 116 HZ3 LYS 116 14.262 7.910 -8.281 895 H ALA 117 H ALA 117 8.009 8.401 -11.924 896 HA ALA 117 HA ALA 117 9.890 9.928 -13.589 897 HB1 ALA 117 HB1 ALA 117 8.035 11.052 -14.713 898 HB2 ALA 117 HB2 ALA 117 6.881 10.053 -13.829 899 HB3 ALA 117 HB3 ALA 117 7.977 9.312 -14.996 900 H HIS 118 H HIS 118 6.795 10.876 -12.192 901 HA HIS 118 HA HIS 118 8.207 12.678 -10.350 902 HB2 HIS 118 HB2 HIS 118 6.061 13.837 -10.069 903 HB3 HIS 118 HB3 HIS 118 6.505 13.753 -11.765 904 HD1 HIS 118 HD1 HIS 118 5.030 12.281 -13.308 905 HD2 HIS 118 HD2 HIS 118 3.689 12.530 -9.379 906 HE1 HIS 118 HE1 HIS 118 2.672 11.414 -13.340 907 HE2 HIS 118 HE2 HIS 118 1.800 11.845 -11.016 908 H SER 119 H SER 119 8.190 9.917 -9.937 909 HA SER 119 HA SER 119 6.047 9.179 -8.153 910 HB2 SER 119 HB2 SER 119 8.525 7.579 -8.778 911 HB3 SER 119 HB3 SER 119 6.921 6.989 -8.331 912 HG SER 119 HG SER 119 6.867 6.755 -10.465 913 H GLY 120 H GLY 120 7.920 11.310 -7.321 914 HA2 GLY 120 HA2 GLY 120 8.758 10.086 -4.775 915 HA3 GLY 120 HA3 GLY 120 9.827 11.192 -5.631 916 H ASN 121 H ASN 121 6.538 10.970 -4.335 917 HA ASN 121 HA ASN 121 6.392 13.868 -4.098 918 HB2 ASN 121 HB2 ASN 121 4.364 11.701 -3.508 919 HB3 ASN 121 HB3 ASN 121 4.057 13.425 -3.333 920 HD21 ASN 121 HD21 ASN 121 3.838 14.705 -5.168 921 HD22 ASN 121 HD22 ASN 121 3.578 14.021 -6.732 922 H GLU 122 H GLU 122 5.000 14.406 -1.933 923 HA GLU 122 HA GLU 122 6.909 14.369 0.126 924 HB2 GLU 122 HB2 GLU 122 5.157 16.093 -0.123 925 HB3 GLU 122 HB3 GLU 122 3.939 14.906 0.322 926 HG2 GLU 122 HG2 GLU 122 4.935 14.697 2.534 927 HG3 GLU 122 HG3 GLU 122 6.179 15.865 2.088 928 H PHE 123 H PHE 123 4.197 12.279 -0.551 929 HA PHE 123 HA PHE 123 4.180 11.022 2.015 930 HB2 PHE 123 HB2 PHE 123 2.924 10.164 -0.598 931 HB3 PHE 123 HB3 PHE 123 2.589 9.443 0.975 932 HD1 PHE 123 HD1 PHE 123 1.473 10.795 2.735 933 HD2 PHE 123 HD2 PHE 123 1.912 12.201 -1.258 934 HE1 PHE 123 HE1 PHE 123 -0.253 12.494 3.148 935 HE2 PHE 123 HE2 PHE 123 0.174 13.899 -0.854 936 HZ PHE 123 HZ PHE 123 -0.910 14.050 1.353 937 H ASN 124 H ASN 124 5.841 10.450 -0.988 938 HA ASN 124 HA ASN 124 6.784 7.834 -0.386 939 HB2 ASN 124 HB2 ASN 124 7.983 9.993 -2.140 940 HB3 ASN 124 HB3 ASN 124 8.520 8.317 -2.100 941 HD21 ASN 124 HD21 ASN 124 7.318 6.759 -3.130 942 HD22 ASN 124 HD22 ASN 124 5.982 7.128 -4.161 943 H ASP 125 H ASP 125 8.071 11.085 0.059 944 HA ASP 125 HA ASP 125 10.490 10.418 1.320 945 HB2 ASP 125 HB2 ASP 125 10.185 12.633 0.483 946 HB3 ASP 125 HB3 ASP 125 8.730 12.868 1.445 947 H TYR 126 H TYR 126 7.232 10.797 2.536 948 HA TYR 126 HA TYR 126 7.731 10.917 5.279 949 HB2 TYR 126 HB2 TYR 126 5.533 11.331 4.178 950 HB3 TYR 126 HB3 TYR 126 5.375 9.600 3.908 951 HD1 TYR 126 HD1 TYR 126 5.531 12.219 6.507 952 HD2 TYR 126 HD2 TYR 126 4.598 8.165 5.634 953 HE1 TYR 126 HE1 TYR 126 4.465 12.001 8.709 954 HE2 TYR 126 HE2 TYR 126 3.530 7.930 7.839 955 HH TYR 126 HH TYR 126 3.629 9.013 10.064 956 H VAL 127 H VAL 127 7.391 8.135 3.130 957 HA VAL 127 HA VAL 127 7.471 6.187 5.198 958 HB VAL 127 HB VAL 127 7.915 5.962 2.220 959 HG11 VAL 127 HG11 VAL 127 7.745 3.535 2.492 960 HG12 VAL 127 HG12 VAL 127 7.744 3.736 4.243 961 HG13 VAL 127 HG13 VAL 127 9.169 4.184 3.306 962 HG21 VAL 127 HG21 VAL 127 5.653 6.532 2.884 963 HG22 VAL 127 HG22 VAL 127 5.619 5.163 3.995 964 HG23 VAL 127 HG23 VAL 127 5.717 4.885 2.256 965 H ASP 128 H ASP 128 9.924 7.661 3.132 966 HA ASP 128 HA ASP 128 12.078 5.973 3.715 967 HB2 ASP 128 HB2 ASP 128 12.236 7.596 1.930 968 HB3 ASP 128 HB3 ASP 128 12.053 8.927 3.067 969 H MET 129 H MET 129 11.060 8.972 5.320 970 HA MET 129 HA MET 129 13.114 9.118 7.212 971 HB2 MET 129 HB2 MET 129 10.249 10.029 7.524 972 HB3 MET 129 HB3 MET 129 11.603 10.551 8.515 973 HG2 MET 129 HG2 MET 129 12.642 11.569 6.550 974 HG3 MET 129 HG3 MET 129 11.265 11.063 5.568 975 HE1 MET 129 HE1 MET 129 8.933 11.471 7.785 976 HE2 MET 129 HE2 MET 129 8.745 11.885 6.081 977 HE3 MET 129 HE3 MET 129 8.349 13.071 7.326 978 H LYS 130 H LYS 130 9.940 7.563 7.405 979 HA LYS 130 HA LYS 130 10.154 6.795 10.117 980 HB2 LYS 130 HB2 LYS 130 8.131 6.829 8.313 981 HB3 LYS 130 HB3 LYS 130 8.515 5.115 8.314 982 HG2 LYS 130 HG2 LYS 130 7.827 6.747 10.749 983 HG3 LYS 130 HG3 LYS 130 6.727 5.671 9.888 984 HD2 LYS 130 HD2 LYS 130 8.172 3.770 10.418 985 HD3 LYS 130 HD3 LYS 130 9.286 4.848 11.265 986 HE2 LYS 130 HE2 LYS 130 7.531 5.423 12.856 987 HE3 LYS 130 HE3 LYS 130 6.397 4.382 11.997 988 HZ1 LYS 130 HZ1 LYS 130 7.782 2.475 12.552 989 HZ2 LYS 130 HZ2 LYS 130 7.297 3.297 13.954 990 HZ3 LYS 130 HZ3 LYS 130 8.876 3.482 13.368 991 H ALA 131 H ALA 131 10.943 5.200 7.071 992 HA ALA 131 HA ALA 131 11.467 2.635 8.038 993 HB1 ALA 131 HB1 ALA 131 12.809 4.033 5.727 994 HB2 ALA 131 HB2 ALA 131 11.264 3.185 5.654 995 HB3 ALA 131 HB3 ALA 131 12.744 2.293 6.003 996 H LYS 132 H LYS 132 13.731 5.345 7.528 997 HA LYS 132 HA LYS 132 16.001 3.973 8.482 998 HB2 LYS 132 HB2 LYS 132 15.384 6.911 8.245 999 HB3 LYS 132 HB3 LYS 132 16.934 6.315 8.823 1000 HG2 LYS 132 HG2 LYS 132 15.713 5.768 6.124 1001 HG3 LYS 132 HG3 LYS 132 17.057 6.861 6.469 1002 HD2 LYS 132 HD2 LYS 132 18.365 4.949 7.310 1003 HD3 LYS 132 HD3 LYS 132 17.030 3.873 6.896 1004 HE2 LYS 132 HE2 LYS 132 18.739 3.804 5.181 1005 HE3 LYS 132 HE3 LYS 132 17.258 4.514 4.543 1006 HZ1 LYS 132 HZ1 LYS 132 18.190 6.667 4.649 1007 HZ2 LYS 132 HZ2 LYS 132 19.366 5.677 3.925 1008 HZ3 LYS 132 HZ3 LYS 132 19.526 6.131 5.550 1009 H SER 133 H SER 133 13.605 5.962 10.111 1010 HA SER 133 HA SER 133 14.908 6.091 12.613 1011 HB2 SER 133 HB2 SER 133 11.949 6.255 11.981 1012 HB3 SER 133 HB3 SER 133 12.708 6.776 13.487 1013 HG SER 133 HG SER 133 12.885 7.910 10.905 1014 H ALA 134 H ALA 134 12.887 3.680 11.096 1015 HA ALA 134 HA ALA 134 12.334 2.216 13.486 1016 HB1 ALA 134 HB1 ALA 134 11.437 0.509 12.007 1017 HB2 ALA 134 HB2 ALA 134 12.143 1.329 10.613 1018 HB3 ALA 134 HB3 ALA 134 10.863 2.111 11.539 1019 H LEU 135 H LEU 135 15.004 2.331 11.288 1020 HA LEU 135 HA LEU 135 16.121 -0.184 12.218 1021 HB2 LEU 135 HB2 LEU 135 17.046 1.932 10.305 1022 HB3 LEU 135 HB3 LEU 135 18.218 0.832 10.996 1023 HG LEU 135 HG LEU 135 17.731 -0.162 8.979 1024 HD11 LEU 135 HD11 LEU 135 15.755 -1.412 10.874 1025 HD12 LEU 135 HD12 LEU 135 17.478 -1.775 10.777 1026 HD13 LEU 135 HD13 LEU 135 16.418 -2.160 9.421 1027 HD21 LEU 135 HD21 LEU 135 15.512 -0.366 7.997 1028 HD22 LEU 135 HD22 LEU 135 15.932 1.319 8.306 1029 HD23 LEU 135 HD23 LEU 135 14.820 0.476 9.383 1030 H GLY 136 H GLY 136 15.793 2.886 13.393 1031 HA2 GLY 136 HA2 GLY 136 16.648 3.741 15.386 1032 HA3 GLY 136 HA3 GLY 136 17.852 2.462 15.378 1033 H ILE 137 H ILE 137 17.523 4.133 12.444 1034 HA ILE 137 HA ILE 137 20.162 5.293 12.792 1035 HB ILE 137 HB ILE 137 18.376 5.226 10.350 1036 HG12 ILE 137 HG12 ILE 137 20.810 3.554 11.032 1037 HG13 ILE 137 HG13 ILE 137 19.143 2.988 11.112 1038 HG21 ILE 137 HG21 ILE 137 21.267 6.028 10.658 1039 HG22 ILE 137 HG22 ILE 137 19.916 7.088 10.257 1040 HG23 ILE 137 HG23 ILE 137 20.424 5.838 9.120 1041 HD11 ILE 137 HD11 ILE 137 20.241 2.232 9.084 1042 HD12 ILE 137 HD12 ILE 137 20.583 3.902 8.630 1043 HD13 ILE 137 HD13 ILE 137 18.916 3.334 8.708 1044 H ARG 138 H ARG 138 20.318 7.240 13.654 1045 HA ARG 138 HA ARG 138 18.639 9.378 12.617 1046 HB2 ARG 138 HB2 ARG 138 17.988 10.235 14.746 1047 HB3 ARG 138 HB3 ARG 138 17.560 8.532 14.740 1048 HG2 ARG 138 HG2 ARG 138 20.146 9.466 15.924 1049 HG3 ARG 138 HG3 ARG 138 18.643 9.526 16.841 1050 HD2 ARG 138 HD2 ARG 138 19.514 7.005 15.487 1051 HD3 ARG 138 HD3 ARG 138 20.172 7.455 17.058 1052 HE ARG 138 HE ARG 138 17.266 7.423 16.824 1053 HH11 ARG 138 HH11 ARG 138 20.165 5.690 17.714 1054 HH12 ARG 138 HH12 ARG 138 19.369 4.650 18.859 1055 HH21 ARG 138 HH21 ARG 138 16.192 6.080 18.359 1056 HH22 ARG 138 HH22 ARG 138 17.113 4.901 19.248 1057 H ASP 139 H ASP 139 19.464 11.533 13.553 1058 HA ASP 139 HA ASP 139 21.116 13.066 13.647 1059 HB2 ASP 139 HB2 ASP 139 22.392 10.863 15.242 1060 HB3 ASP 139 HB3 ASP 139 23.124 12.445 15.051 1061 H LEU 140 H LEU 140 21.268 12.671 11.314 1062 HA LEU 140 HA LEU 140 23.731 11.379 10.445 1063 HB2 LEU 140 HB2 LEU 140 21.539 12.784 8.909 1064 HB3 LEU 140 HB3 LEU 140 22.977 12.123 8.160 1065 HG LEU 140 HG LEU 140 22.251 9.864 9.136 1066 HD11 LEU 140 HD11 LEU 140 19.851 9.613 9.542 1067 HD12 LEU 140 HD12 LEU 140 19.649 11.361 9.423 1068 HD13 LEU 140 HD13 LEU 140 20.607 10.671 10.733 1069 HD21 LEU 140 HD21 LEU 140 20.734 9.453 7.268 1070 HD22 LEU 140 HD22 LEU 140 22.124 10.415 6.769 1071 HD23 LEU 140 HD23 LEU 140 20.560 11.189 7.021 1072 H GLU 141 H GLU 141 22.259 14.530 10.748 1073 HA GLU 141 HA GLU 141 24.705 15.888 9.902 1074 HB2 GLU 141 HB2 GLU 141 22.031 16.442 9.544 1075 HB3 GLU 141 HB3 GLU 141 22.445 17.494 10.887 1076 HG2 GLU 141 HG2 GLU 141 23.905 17.438 8.259 1077 HG3 GLU 141 HG3 GLU 141 22.610 18.562 8.659 1078 H HIS 142 H HIS 142 24.556 14.321 12.413 1079 HA HIS 142 HA HIS 142 24.276 16.160 14.580 1080 HB2 HIS 142 HB2 HIS 142 24.880 14.395 16.037 1081 HB3 HIS 142 HB3 HIS 142 23.960 13.640 14.748 1082 HD1 HIS 142 HD1 HIS 142 25.140 11.842 13.360 1083 HD2 HIS 142 HD2 HIS 142 27.646 13.745 16.084 1084 HE1 HIS 142 HE1 HIS 142 27.268 10.507 13.373 1085 HE2 HIS 142 HE2 HIS 142 28.662 11.538 15.200 1086 H HIS 143 H HIS 143 25.703 17.515 15.425 1087 HA HIS 143 HA HIS 143 28.505 17.280 14.553 1088 HB2 HIS 143 HB2 HIS 143 26.928 19.673 15.514 1089 HB3 HIS 143 HB3 HIS 143 28.676 19.692 15.314 1090 HD1 HIS 143 HD1 HIS 143 28.461 21.520 13.477 1091 HD2 HIS 143 HD2 HIS 143 26.584 17.928 12.560 1092 HE1 HIS 143 HE1 HIS 143 27.917 21.645 11.020 1093 HE2 HIS 143 HE2 HIS 143 26.584 19.549 10.551 1094 H HIS 144 H HIS 144 29.307 15.877 16.044 1095 HA HIS 144 HA HIS 144 29.264 16.819 18.833 1096 HB2 HIS 144 HB2 HIS 144 27.778 14.788 18.385 1097 HB3 HIS 144 HB3 HIS 144 29.264 13.899 18.062 1098 HD1 HIS 144 HD1 HIS 144 30.309 12.812 20.032 1099 HD2 HIS 144 HD2 HIS 144 27.755 15.910 21.116 1100 HE1 HIS 144 HE1 HIS 144 30.257 12.802 22.546 1101 HE2 HIS 144 HE2 HIS 144 28.577 14.569 23.172 1102 H HIS 145 H HIS 145 31.215 16.934 19.782 1103 HA HIS 145 HA HIS 145 33.458 16.588 17.968 1104 HB2 HIS 145 HB2 HIS 145 33.259 17.909 20.678 1105 HB3 HIS 145 HB3 HIS 145 34.717 17.869 19.692 1106 HD1 HIS 145 HD1 HIS 145 34.904 19.532 17.804 1107 HD2 HIS 145 HD2 HIS 145 31.155 19.530 19.603 1108 HE1 HIS 145 HE1 HIS 145 33.687 21.510 16.840 1109 HE2 HIS 145 HE2 HIS 145 31.369 21.399 17.826 1110 H HIS 146 H HIS 146 35.353 15.492 18.422 1111 HA HIS 146 HA HIS 146 36.755 13.935 19.293 1112 HB2 HIS 146 HB2 HIS 146 36.437 14.962 21.481 1113 HB3 HIS 146 HB3 HIS 146 34.951 14.052 21.721 1114 HD1 HIS 146 HD1 HIS 146 35.161 11.841 22.856 1115 HD2 HIS 146 HD2 HIS 146 38.817 13.269 21.456 1116 HE1 HIS 146 HE1 HIS 146 36.904 10.257 23.751 1117 HE2 HIS 146 HE2 HIS 146 39.100 11.097 22.845 1118 H HIS 147 H HIS 147 33.552 12.941 20.506 1119 HA HIS 147 HA HIS 147 33.300 10.797 18.643 1120 HB2 HIS 147 HB2 HIS 147 35.014 9.836 20.183 1121 HB3 HIS 147 HB3 HIS 147 33.891 10.039 21.520 1122 HD1 HIS 147 HD1 HIS 147 34.836 7.741 18.834 1123 HD2 HIS 147 HD2 HIS 147 31.550 8.308 21.323 1124 HE1 HIS 147 HE1 HIS 147 33.499 5.612 18.696 1125 HE2 HIS 147 HE2 HIS 147 31.604 5.920 20.331 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -16.297 19.805 -3.780 2 H2 MET 1 H2 MET 1 -17.469 18.632 -4.139 3 H3 MET 1 H3 MET 1 -15.921 18.520 -4.818 4 HA MET 1 HA MET 1 -14.950 18.169 -2.650 5 HB2 MET 1 HB2 MET 1 -16.805 19.473 -1.494 6 HB3 MET 1 HB3 MET 1 -17.794 18.027 -1.636 7 HG2 MET 1 HG2 MET 1 -15.998 16.806 -0.377 8 HG3 MET 1 HG3 MET 1 -15.256 18.376 -0.073 9 HE1 MET 1 HE1 MET 1 -18.245 15.982 0.675 10 HE2 MET 1 HE2 MET 1 -19.042 17.281 -0.211 11 HE3 MET 1 HE3 MET 1 -19.384 17.046 1.502 12 H ASP 2 H ASP 2 -15.157 16.626 -4.790 13 HA ASP 2 HA ASP 2 -16.082 14.066 -3.704 14 HB2 ASP 2 HB2 ASP 2 -16.826 15.176 -6.411 15 HB3 ASP 2 HB3 ASP 2 -16.910 13.459 -6.032 16 H ASP 3 H ASP 3 -14.110 13.237 -3.414 17 HA ASP 3 HA ASP 3 -12.155 13.322 -5.559 18 HB2 ASP 3 HB2 ASP 3 -10.660 12.201 -3.872 19 HB3 ASP 3 HB3 ASP 3 -11.233 13.794 -3.397 20 H ARG 4 H ARG 4 -13.031 12.010 -7.069 21 HA ARG 4 HA ARG 4 -13.518 9.207 -6.298 22 HB2 ARG 4 HB2 ARG 4 -14.642 10.700 -8.672 23 HB3 ARG 4 HB3 ARG 4 -15.046 9.059 -8.188 24 HG2 ARG 4 HG2 ARG 4 -16.048 9.894 -6.135 25 HG3 ARG 4 HG3 ARG 4 -15.611 11.544 -6.585 26 HD2 ARG 4 HD2 ARG 4 -16.986 11.241 -8.659 27 HD3 ARG 4 HD3 ARG 4 -17.546 9.709 -7.986 28 HE ARG 4 HE ARG 4 -18.016 11.605 -6.039 29 HH11 ARG 4 HH11 ARG 4 -19.091 10.948 -9.313 30 HH12 ARG 4 HH12 ARG 4 -20.585 11.826 -9.127 31 HH21 ARG 4 HH21 ARG 4 -19.946 12.779 -5.797 32 HH22 ARG 4 HH22 ARG 4 -21.066 12.879 -7.129 33 H THR 5 H THR 5 -11.202 11.022 -7.602 34 HA THR 5 HA THR 5 -10.600 9.391 -9.923 35 HB THR 5 HB THR 5 -10.186 11.838 -9.962 36 HG1 THR 5 HG1 THR 5 -8.799 10.061 -11.069 37 HG21 THR 5 HG21 THR 5 -8.220 12.735 -8.780 38 HG22 THR 5 HG22 THR 5 -8.032 11.193 -7.944 39 HG23 THR 5 HG23 THR 5 -9.467 12.179 -7.666 40 H GLU 6 H GLU 6 -8.417 8.481 -10.182 41 HA GLU 6 HA GLU 6 -7.786 6.612 -8.206 42 HB2 GLU 6 HB2 GLU 6 -5.774 7.582 -10.225 43 HB3 GLU 6 HB3 GLU 6 -5.976 5.962 -9.573 44 HG2 GLU 6 HG2 GLU 6 -6.831 5.691 -11.674 45 HG3 GLU 6 HG3 GLU 6 -8.295 6.097 -10.779 46 H TYR 7 H TYR 7 -6.788 6.866 -6.328 47 HA TYR 7 HA TYR 7 -5.605 9.343 -5.556 48 HB2 TYR 7 HB2 TYR 7 -5.593 6.652 -4.171 49 HB3 TYR 7 HB3 TYR 7 -5.076 8.165 -3.440 50 HD1 TYR 7 HD1 TYR 7 -6.713 9.868 -2.820 51 HD2 TYR 7 HD2 TYR 7 -7.939 6.132 -4.444 52 HE1 TYR 7 HE1 TYR 7 -8.998 10.276 -2.019 53 HE2 TYR 7 HE2 TYR 7 -10.234 6.536 -3.655 54 HH TYR 7 HH TYR 7 -11.269 9.582 -2.477 55 H ASP 8 H ASP 8 -3.474 9.874 -5.294 56 HA ASP 8 HA ASP 8 -1.518 8.044 -6.447 57 HB2 ASP 8 HB2 ASP 8 -1.490 10.414 -7.177 58 HB3 ASP 8 HB3 ASP 8 -1.163 10.906 -5.518 59 H VAL 9 H VAL 9 -1.139 6.531 -4.958 60 HA VAL 9 HA VAL 9 -0.799 7.269 -2.162 61 HB VAL 9 HB VAL 9 -0.917 4.509 -3.418 62 HG11 VAL 9 HG11 VAL 9 -1.333 3.729 -1.129 63 HG12 VAL 9 HG12 VAL 9 -1.094 5.371 -0.530 64 HG13 VAL 9 HG13 VAL 9 0.245 4.503 -1.280 65 HG21 VAL 9 HG21 VAL 9 -3.205 4.416 -2.577 66 HG22 VAL 9 HG22 VAL 9 -3.008 5.744 -3.721 67 HG23 VAL 9 HG23 VAL 9 -3.068 6.074 -1.990 68 H TYR 10 H TYR 10 1.137 7.377 -1.214 69 HA TYR 10 HA TYR 10 3.481 6.776 -2.824 70 HB2 TYR 10 HB2 TYR 10 3.142 8.179 -0.172 71 HB3 TYR 10 HB3 TYR 10 4.707 7.879 -0.917 72 HD1 TYR 10 HD1 TYR 10 4.877 8.730 -3.441 73 HD2 TYR 10 HD2 TYR 10 2.148 10.232 -0.541 74 HE1 TYR 10 HE1 TYR 10 4.696 10.830 -4.706 75 HE2 TYR 10 HE2 TYR 10 1.958 12.334 -1.803 76 HH TYR 10 HH TYR 10 3.053 12.699 -4.969 77 H THR 11 H THR 11 5.406 5.986 -1.448 78 HA THR 11 HA THR 11 6.523 4.276 -0.558 79 HB THR 11 HB THR 11 5.439 5.258 1.530 80 HG1 THR 11 HG1 THR 11 6.033 2.517 1.865 81 HG21 THR 11 HG21 THR 11 3.926 3.768 2.754 82 HG22 THR 11 HG22 THR 11 3.844 2.698 1.356 83 HG23 THR 11 HG23 THR 11 3.186 4.331 1.255 84 H ASP 12 H ASP 12 3.930 3.662 -2.324 85 HA ASP 12 HA ASP 12 3.393 0.935 -1.662 86 HB2 ASP 12 HB2 ASP 12 2.079 0.924 -3.755 87 HB3 ASP 12 HB3 ASP 12 1.671 2.279 -2.711 88 H GLY 13 H GLY 13 5.542 0.091 -1.620 89 HA2 GLY 13 HA2 GLY 13 6.455 -0.668 -4.317 90 HA3 GLY 13 HA3 GLY 13 7.605 -0.064 -3.136 91 H SER 14 H SER 14 8.425 -1.419 -1.624 92 HA SER 14 HA SER 14 7.276 -3.942 -0.991 93 HB2 SER 14 HB2 SER 14 9.231 -5.275 -1.975 94 HB3 SER 14 HB3 SER 14 8.016 -4.702 -3.115 95 HG SER 14 HG SER 14 9.387 -3.093 -3.781 96 H TYR 15 H TYR 15 10.685 -3.079 -1.406 97 HA TYR 15 HA TYR 15 10.954 -2.535 1.438 98 HB2 TYR 15 HB2 TYR 15 12.820 -4.082 1.730 99 HB3 TYR 15 HB3 TYR 15 11.378 -4.960 1.239 100 HD1 TYR 15 HD2 TYR 15 11.237 -5.962 -0.998 101 HD2 TYR 15 HD1 TYR 15 14.763 -3.973 0.310 102 HE1 TYR 15 HE2 TYR 15 12.504 -7.015 -2.825 103 HE2 TYR 15 HE1 TYR 15 16.039 -5.024 -1.506 104 HH TYR 15 HH TYR 15 14.542 -6.686 -4.099 105 H VAL 16 H VAL 16 13.241 -1.735 1.914 106 HA VAL 16 HA VAL 16 14.619 -0.683 -0.422 107 HB VAL 16 HB VAL 16 12.950 1.057 0.161 108 HG11 VAL 16 HG11 VAL 16 13.226 2.379 2.200 109 HG12 VAL 16 HG12 VAL 16 14.465 1.253 2.756 110 HG13 VAL 16 HG13 VAL 16 12.801 0.705 2.555 111 HG21 VAL 16 HG21 VAL 16 15.823 1.832 0.623 112 HG22 VAL 16 HG22 VAL 16 14.520 2.934 0.176 113 HG23 VAL 16 HG23 VAL 16 15.022 1.663 -0.939 114 H ASN 17 H ASN 17 16.779 -0.458 -0.127 115 HA ASN 17 HA ASN 17 18.839 -0.813 0.761 116 HB2 ASN 17 HB2 ASN 17 17.478 0.106 3.303 117 HB3 ASN 17 HB3 ASN 17 19.208 -0.158 3.153 118 HD21 ASN 17 HD21 ASN 17 16.557 1.919 2.422 119 HD22 ASN 17 HD22 ASN 17 17.488 3.223 1.774 120 H GLY 18 H GLY 18 16.828 -2.964 0.700 121 HA2 GLY 18 HA2 GLY 18 16.903 -5.227 1.187 122 HA3 GLY 18 HA3 GLY 18 18.261 -4.917 2.262 123 H GLN 19 H GLN 19 16.015 -2.755 3.189 124 HA GLN 19 HA GLN 19 15.087 -4.498 5.362 125 HB2 GLN 19 HB2 GLN 19 15.103 -1.475 5.200 126 HB3 GLN 19 HB3 GLN 19 14.715 -2.438 6.617 127 HG2 GLN 19 HG2 GLN 19 17.393 -2.508 5.261 128 HG3 GLN 19 HG3 GLN 19 17.000 -1.407 6.578 129 HE21 GLN 19 HE21 GLN 19 18.560 -2.291 7.904 130 HE22 GLN 19 HE22 GLN 19 18.380 -3.845 8.645 131 H TYR 20 H TYR 20 12.929 -4.831 5.721 132 HA TYR 20 HA TYR 20 11.078 -3.392 3.951 133 HB2 TYR 20 HB2 TYR 20 9.691 -5.354 3.775 134 HB3 TYR 20 HB3 TYR 20 11.332 -5.779 3.312 135 HD1 TYR 20 HD2 TYR 20 12.696 -7.230 4.778 136 HD2 TYR 20 HD1 TYR 20 8.642 -6.321 5.701 137 HE1 TYR 20 HE2 TYR 20 12.637 -9.112 6.362 138 HE2 TYR 20 HE1 TYR 20 8.572 -8.199 7.283 139 HH TYR 20 HH TYR 20 11.405 -9.884 8.275 140 H ALA 21 H ALA 21 9.090 -2.798 4.771 141 HA ALA 21 HA ALA 21 8.413 -3.279 7.537 142 HB1 ALA 21 HB1 ALA 21 9.093 -0.490 6.588 143 HB2 ALA 21 HB2 ALA 21 10.022 -1.445 7.744 144 HB3 ALA 21 HB3 ALA 21 8.396 -0.901 8.154 145 H TRP 22 H TRP 22 6.296 -2.101 8.054 146 HA TRP 22 HA TRP 22 4.684 -2.029 5.596 147 HB2 TRP 22 HB2 TRP 22 2.733 -2.535 6.977 148 HB3 TRP 22 HB3 TRP 22 3.982 -3.749 7.215 149 HD1 TRP 22 HD1 TRP 22 5.404 -3.520 9.607 150 HE1 TRP 22 HE1 TRP 22 4.575 -2.733 11.919 151 HE3 TRP 22 HE3 TRP 22 1.160 -1.060 8.151 152 HZ2 TRP 22 HZ2 TRP 22 2.397 -1.282 12.979 153 HZ3 TRP 22 HZ3 TRP 22 -0.241 -0.006 9.879 154 HH2 TRP 22 HH2 TRP 22 0.364 -0.115 12.239 155 H ALA 23 H ALA 23 3.692 -0.208 5.010 156 HA ALA 23 HA ALA 23 3.137 1.949 6.800 157 HB1 ALA 23 HB1 ALA 23 5.423 2.286 4.860 158 HB2 ALA 23 HB2 ALA 23 5.566 2.211 6.614 159 HB3 ALA 23 HB3 ALA 23 4.716 3.558 5.855 160 H TYR 24 H TYR 24 2.361 3.889 5.550 161 HA TYR 24 HA TYR 24 1.866 3.658 2.772 162 HB2 TYR 24 HB2 TYR 24 -0.586 3.469 2.827 163 HB3 TYR 24 HB3 TYR 24 0.168 2.038 3.521 164 HD1 TYR 24 HD2 TYR 24 -1.739 5.101 4.287 165 HD2 TYR 24 HD1 TYR 24 -0.160 1.461 5.825 166 HE1 TYR 24 HE2 TYR 24 -3.105 5.373 6.310 167 HE2 TYR 24 HE1 TYR 24 -1.529 1.721 7.852 168 HH TYR 24 HH TYR 24 -4.046 4.029 8.091 169 H ALA 25 H ALA 25 0.793 5.475 1.893 170 HA ALA 25 HA ALA 25 0.085 7.641 3.726 171 HB1 ALA 25 HB1 ALA 25 1.983 7.973 1.396 172 HB2 ALA 25 HB2 ALA 25 2.404 8.086 3.105 173 HB3 ALA 25 HB3 ALA 25 1.328 9.281 2.380 174 H PHE 26 H PHE 26 -2.041 7.658 3.241 175 HA PHE 26 HA PHE 26 -2.896 7.616 0.461 176 HB2 PHE 26 HB2 PHE 26 -4.360 7.489 3.083 177 HB3 PHE 26 HB3 PHE 26 -5.221 7.837 1.587 178 HD1 PHE 26 HD2 PHE 26 -3.354 5.301 3.463 179 HD2 PHE 26 HD1 PHE 26 -5.523 6.150 -0.101 180 HE1 PHE 26 HE2 PHE 26 -3.489 2.894 2.973 181 HE2 PHE 26 HE1 PHE 26 -5.664 3.744 -0.594 182 HZ PHE 26 HZ PHE 26 -4.645 2.112 0.943 183 H VAL 27 H VAL 27 -2.829 9.409 -0.632 184 HA VAL 27 HA VAL 27 -3.493 11.922 0.715 185 HB VAL 27 HB VAL 27 -1.160 12.053 0.656 186 HG11 VAL 27 HG11 VAL 27 0.214 11.453 -1.283 187 HG12 VAL 27 HG12 VAL 27 -1.237 10.953 -2.151 188 HG13 VAL 27 HG13 VAL 27 -0.732 10.082 -0.703 189 HG21 VAL 27 HG21 VAL 27 -2.187 14.047 -0.320 190 HG22 VAL 27 HG22 VAL 27 -2.068 13.320 -1.924 191 HG23 VAL 27 HG23 VAL 27 -0.603 13.730 -1.031 192 H LYS 28 H LYS 28 -4.845 13.211 -0.321 193 HA LYS 28 HA LYS 28 -4.973 13.173 -3.221 194 HB2 LYS 28 HB2 LYS 28 -7.399 13.058 -3.332 195 HB3 LYS 28 HB3 LYS 28 -6.770 11.612 -2.566 196 HG2 LYS 28 HG2 LYS 28 -7.784 13.912 -0.929 197 HG3 LYS 28 HG3 LYS 28 -8.884 12.709 -1.602 198 HD2 LYS 28 HD2 LYS 28 -7.553 10.946 -0.454 199 HD3 LYS 28 HD3 LYS 28 -6.600 12.224 0.304 200 HE2 LYS 28 HE2 LYS 28 -8.315 11.475 1.832 201 HE3 LYS 28 HE3 LYS 28 -8.658 13.125 1.316 202 HZ1 LYS 28 HZ1 LYS 28 -10.275 12.247 -0.260 203 HZ2 LYS 28 HZ2 LYS 28 -10.655 11.773 1.319 204 HZ3 LYS 28 HZ3 LYS 28 -9.951 10.664 0.252 205 H ASP 29 H ASP 29 -5.447 15.159 -4.081 206 HA ASP 29 HA ASP 29 -5.611 17.427 -4.203 207 HB2 ASP 29 HB2 ASP 29 -7.803 16.942 -2.983 208 HB3 ASP 29 HB3 ASP 29 -6.968 17.385 -1.500 209 H GLY 30 H GLY 30 -3.503 15.936 -2.546 210 HA2 GLY 30 HA2 GLY 30 -1.460 16.741 -1.745 211 HA3 GLY 30 HA3 GLY 30 -2.182 18.333 -1.567 212 H LYS 31 H LYS 31 -4.351 16.297 -0.206 213 HA LYS 31 HA LYS 31 -3.266 16.805 2.468 214 HB2 LYS 31 HB2 LYS 31 -6.029 16.105 1.515 215 HB3 LYS 31 HB3 LYS 31 -5.589 16.013 3.206 216 HG2 LYS 31 HG2 LYS 31 -6.729 18.094 2.724 217 HG3 LYS 31 HG3 LYS 31 -5.058 18.397 3.208 218 HD2 LYS 31 HD2 LYS 31 -4.413 18.737 0.914 219 HD3 LYS 31 HD3 LYS 31 -6.019 18.273 0.360 220 HE2 LYS 31 HE2 LYS 31 -6.984 20.217 1.431 221 HE3 LYS 31 HE3 LYS 31 -5.413 20.653 2.105 222 HZ1 LYS 31 HZ1 LYS 31 -5.903 21.957 0.138 223 HZ2 LYS 31 HZ2 LYS 31 -6.096 20.546 -0.787 224 HZ3 LYS 31 HZ3 LYS 31 -4.574 20.942 -0.146 225 H VAL 32 H VAL 32 -2.757 15.274 3.835 226 HA VAL 32 HA VAL 32 -2.806 12.513 2.840 227 HB VAL 32 HB VAL 32 -0.533 13.327 3.047 228 HG11 VAL 32 HG11 VAL 32 -1.157 13.871 5.944 229 HG12 VAL 32 HG12 VAL 32 -0.877 15.082 4.694 230 HG13 VAL 32 HG13 VAL 32 0.431 14.005 5.185 231 HG21 VAL 32 HG21 VAL 32 -1.211 11.389 5.251 232 HG22 VAL 32 HG22 VAL 32 0.387 11.624 4.541 233 HG23 VAL 32 HG23 VAL 32 -0.931 10.989 3.556 234 H HIS 33 H HIS 33 -3.988 11.093 3.900 235 HA HIS 33 HA HIS 33 -5.542 11.927 6.149 236 HB2 HIS 33 HB2 HIS 33 -6.438 10.443 4.398 237 HB3 HIS 33 HB3 HIS 33 -5.290 9.196 4.866 238 HD1 HIS 33 HD1 HIS 33 -8.058 11.207 6.570 239 HD2 HIS 33 HD2 HIS 33 -6.378 7.402 6.545 240 HE1 HIS 33 HE1 HIS 33 -9.441 9.836 8.173 241 HE2 HIS 33 HE2 HIS 33 -8.296 7.585 8.260 242 H TYR 34 H TYR 34 -3.024 9.448 5.706 243 HA TYR 34 HA TYR 34 -2.208 9.889 8.470 244 HB2 TYR 34 HB2 TYR 34 -3.249 7.330 7.391 245 HB3 TYR 34 HB3 TYR 34 -1.812 7.231 8.395 246 HD1 TYR 34 HD1 TYR 34 -5.374 8.159 8.340 247 HD2 TYR 34 HD2 TYR 34 -1.919 7.600 10.752 248 HE1 TYR 34 HE1 TYR 34 -6.780 8.216 10.353 249 HE2 TYR 34 HE2 TYR 34 -3.314 7.656 12.777 250 HH TYR 34 HH TYR 34 -5.470 8.459 13.517 251 H GLU 35 H GLU 35 -0.087 9.790 8.765 252 HA GLU 35 HA GLU 35 1.561 8.549 6.685 253 HB2 GLU 35 HB2 GLU 35 3.224 10.323 6.894 254 HB3 GLU 35 HB3 GLU 35 1.679 10.991 6.402 255 HG2 GLU 35 HG2 GLU 35 2.762 11.059 9.211 256 HG3 GLU 35 HG3 GLU 35 2.891 12.374 8.047 257 H ASP 36 H ASP 36 2.721 6.957 7.514 258 HA ASP 36 HA ASP 36 4.102 7.130 10.000 259 HB2 ASP 36 HB2 ASP 36 1.583 6.651 10.583 260 HB3 ASP 36 HB3 ASP 36 1.950 5.026 10.020 261 H ALA 37 H ALA 37 5.193 5.014 10.486 262 HA ALA 37 HA ALA 37 5.302 3.052 8.391 263 HB1 ALA 37 HB1 ALA 37 7.641 3.431 7.782 264 HB2 ALA 37 HB2 ALA 37 7.677 4.873 8.797 265 HB3 ALA 37 HB3 ALA 37 6.643 4.824 7.370 266 H ASP 38 H ASP 38 5.658 1.183 9.415 267 HA ASP 38 HA ASP 38 7.349 1.235 11.820 268 HB2 ASP 38 HB2 ASP 38 4.887 1.289 12.383 269 HB3 ASP 38 HB3 ASP 38 4.757 -0.303 11.640 270 H VAL 39 H VAL 39 8.274 -0.828 12.371 271 HA VAL 39 HA VAL 39 9.074 -2.196 9.952 272 HB VAL 39 HB VAL 39 10.715 -3.336 11.425 273 HG11 VAL 39 HG11 VAL 39 11.271 -1.245 10.288 274 HG12 VAL 39 HG12 VAL 39 12.082 -1.363 11.849 275 HG13 VAL 39 HG13 VAL 39 10.662 -0.335 11.670 276 HG21 VAL 39 HG21 VAL 39 9.463 -3.363 13.501 277 HG22 VAL 39 HG22 VAL 39 9.499 -1.601 13.569 278 HG23 VAL 39 HG23 VAL 39 10.995 -2.519 13.731 279 H GLY 40 H GLY 40 9.512 -4.640 10.219 280 HA2 GLY 40 HA2 GLY 40 7.031 -5.972 10.693 281 HA3 GLY 40 HA3 GLY 40 8.561 -6.738 10.280 282 H LYS 41 H LYS 41 6.545 -5.568 12.863 283 HA LYS 41 HA LYS 41 8.385 -6.520 14.897 284 HB2 LYS 41 HB2 LYS 41 5.725 -5.100 15.125 285 HB3 LYS 41 HB3 LYS 41 6.781 -5.499 16.473 286 HG2 LYS 41 HG2 LYS 41 8.494 -4.031 15.603 287 HG3 LYS 41 HG3 LYS 41 7.499 -3.675 14.191 288 HD2 LYS 41 HD2 LYS 41 7.342 -1.879 15.816 289 HD3 LYS 41 HD3 LYS 41 5.789 -2.701 15.656 290 HE2 LYS 41 HE2 LYS 41 6.352 -4.024 17.683 291 HE3 LYS 41 HE3 LYS 41 7.811 -3.049 17.865 292 HZ1 LYS 41 HZ1 LYS 41 6.432 -1.081 18.074 293 HZ2 LYS 41 HZ2 LYS 41 6.014 -2.224 19.249 294 HZ3 LYS 41 HZ3 LYS 41 5.027 -2.012 17.890 295 H ASN 42 H ASN 42 6.689 -7.248 16.848 296 HA ASN 42 HA ASN 42 6.262 -9.959 16.399 297 HB2 ASN 42 HB2 ASN 42 6.142 -8.193 18.569 298 HB3 ASN 42 HB3 ASN 42 4.543 -8.924 18.490 299 HD21 ASN 42 HD21 ASN 42 4.947 -9.984 20.450 300 HD22 ASN 42 HD22 ASN 42 5.966 -11.382 20.527 301 HA PRO 43 HA PRO 43 2.453 -10.412 14.252 302 HB2 PRO 43 HB2 PRO 43 1.299 -12.469 15.697 303 HB3 PRO 43 HB3 PRO 43 2.510 -12.679 14.430 304 HG2 PRO 43 HG2 PRO 43 2.865 -12.598 17.396 305 HG3 PRO 43 HG3 PRO 43 3.632 -13.666 16.204 306 HD2 PRO 43 HD2 PRO 43 4.954 -11.591 17.237 307 HD3 PRO 43 HD3 PRO 43 5.135 -12.020 15.522 308 H ALA 44 H ALA 44 2.476 -9.691 17.615 309 HA ALA 44 HA ALA 44 -0.225 -9.437 18.213 310 HB1 ALA 44 HB1 ALA 44 2.047 -7.687 19.150 311 HB2 ALA 44 HB2 ALA 44 1.548 -9.214 19.879 312 HB3 ALA 44 HB3 ALA 44 0.462 -7.825 19.913 313 H ALA 45 H ALA 45 1.981 -7.101 16.694 314 HA ALA 45 HA ALA 45 -0.020 -5.071 16.423 315 HB1 ALA 45 HB1 ALA 45 1.643 -3.868 15.128 316 HB2 ALA 45 HB2 ALA 45 2.638 -5.320 15.018 317 HB3 ALA 45 HB3 ALA 45 2.382 -4.543 16.581 318 H ALA 46 H ALA 46 1.150 -7.712 14.480 319 HA ALA 46 HA ALA 46 -0.011 -6.883 12.011 320 HB1 ALA 46 HB1 ALA 46 1.863 -8.484 12.155 321 HB2 ALA 46 HB2 ALA 46 0.500 -9.120 11.234 322 HB3 ALA 46 HB3 ALA 46 0.777 -9.661 12.891 323 H THR 47 H THR 47 -1.186 -8.434 14.840 324 HA THR 47 HA THR 47 -3.635 -9.345 13.524 325 HB THR 47 HB THR 47 -2.885 -9.650 16.438 326 HG1 THR 47 HG1 THR 47 -1.330 -10.647 15.010 327 HG21 THR 47 HG21 THR 47 -5.256 -9.991 15.928 328 HG22 THR 47 HG22 THR 47 -4.481 -11.515 16.364 329 HG23 THR 47 HG23 THR 47 -4.823 -11.153 14.672 330 H MET 48 H MET 48 -2.600 -7.271 16.233 331 HA MET 48 HA MET 48 -5.256 -6.093 16.411 332 HB2 MET 48 HB2 MET 48 -2.754 -5.537 18.025 333 HB3 MET 48 HB3 MET 48 -4.336 -4.837 18.335 334 HG2 MET 48 HG2 MET 48 -5.229 -7.079 18.768 335 HG3 MET 48 HG3 MET 48 -3.625 -7.757 18.497 336 HE1 MET 48 HE1 MET 48 -1.597 -6.171 21.470 337 HE2 MET 48 HE2 MET 48 -1.803 -5.452 19.873 338 HE3 MET 48 HE3 MET 48 -1.517 -7.185 20.028 339 H ARG 49 H ARG 49 -4.867 -5.393 14.133 340 HA ARG 49 HA ARG 49 -3.067 -3.224 13.667 341 HB2 ARG 49 HB2 ARG 49 -5.404 -4.224 12.031 342 HB3 ARG 49 HB3 ARG 49 -4.217 -3.050 11.481 343 HG2 ARG 49 HG2 ARG 49 -2.457 -4.733 11.688 344 HG3 ARG 49 HG3 ARG 49 -3.652 -5.913 12.234 345 HD2 ARG 49 HD2 ARG 49 -4.819 -5.757 10.123 346 HD3 ARG 49 HD3 ARG 49 -3.718 -4.493 9.575 347 HE ARG 49 HE ARG 49 -2.460 -6.999 10.297 348 HH11 ARG 49 HH11 ARG 49 -3.887 -5.083 7.725 349 HH12 ARG 49 HH12 ARG 49 -3.017 -5.909 6.463 350 HH21 ARG 49 HH21 ARG 49 -1.318 -8.091 8.617 351 HH22 ARG 49 HH22 ARG 49 -1.574 -7.601 6.971 352 H ASN 50 H ASN 50 -3.616 -1.681 15.274 353 HA ASN 50 HA ASN 50 -6.214 -0.529 15.429 354 HB2 ASN 50 HB2 ASN 50 -3.519 0.473 16.354 355 HB3 ASN 50 HB3 ASN 50 -5.020 1.349 16.638 356 HD21 ASN 50 HD21 ASN 50 -6.547 0.493 18.064 357 HD22 ASN 50 HD22 ASN 50 -6.122 -0.725 19.222 358 H VAL 51 H VAL 51 -3.194 0.952 14.259 359 HA VAL 51 HA VAL 51 -4.411 3.084 12.918 360 HB VAL 51 HB VAL 51 -1.766 1.799 12.219 361 HG11 VAL 51 HG11 VAL 51 -1.152 4.047 11.441 362 HG12 VAL 51 HG12 VAL 51 -2.794 4.596 11.777 363 HG13 VAL 51 HG13 VAL 51 -2.509 3.375 10.537 364 HG21 VAL 51 HG21 VAL 51 -0.769 3.433 13.765 365 HG22 VAL 51 HG22 VAL 51 -1.834 2.294 14.589 366 HG23 VAL 51 HG23 VAL 51 -2.388 3.934 14.254 367 H ALA 52 H ALA 52 -3.231 -0.018 11.680 368 HA ALA 52 HA ALA 52 -4.039 0.405 8.999 369 HB1 ALA 52 HB1 ALA 52 -3.479 -2.191 10.429 370 HB2 ALA 52 HB2 ALA 52 -2.287 -1.185 9.605 371 HB3 ALA 52 HB3 ALA 52 -3.570 -1.964 8.682 372 H GLY 53 H GLY 53 -5.815 -0.277 11.779 373 HA2 GLY 53 HA2 GLY 53 -7.775 -2.068 10.898 374 HA3 GLY 53 HA3 GLY 53 -7.979 -0.889 12.183 375 H GLU 54 H GLU 54 -7.635 1.471 10.595 376 HA GLU 54 HA GLU 54 -10.256 1.745 9.577 377 HB2 GLU 54 HB2 GLU 54 -9.538 3.945 8.759 378 HB3 GLU 54 HB3 GLU 54 -9.033 3.678 10.422 379 HG2 GLU 54 HG2 GLU 54 -6.801 3.487 9.850 380 HG3 GLU 54 HG3 GLU 54 -7.162 3.090 8.171 381 H ILE 55 H ILE 55 -7.203 0.906 8.129 382 HA ILE 55 HA ILE 55 -8.011 1.148 5.412 383 HB ILE 55 HB ILE 55 -5.849 -0.605 6.601 384 HG12 ILE 55 HG12 ILE 55 -5.500 1.729 7.200 385 HG13 ILE 55 HG13 ILE 55 -4.317 1.237 5.994 386 HG21 ILE 55 HG21 ILE 55 -4.849 -0.545 4.373 387 HG22 ILE 55 HG22 ILE 55 -6.221 0.391 3.780 388 HG23 ILE 55 HG23 ILE 55 -6.459 -1.266 4.335 389 HD11 ILE 55 HD11 ILE 55 -5.134 3.454 5.518 390 HD12 ILE 55 HD12 ILE 55 -6.796 2.867 5.501 391 HD13 ILE 55 HD13 ILE 55 -5.662 2.338 4.259 392 H ALA 56 H ALA 56 -8.088 -1.409 7.820 393 HA ALA 56 HA ALA 56 -9.012 -3.461 6.075 394 HB1 ALA 56 HB1 ALA 56 -9.532 -4.687 8.147 395 HB2 ALA 56 HB2 ALA 56 -9.188 -3.227 9.078 396 HB3 ALA 56 HB3 ALA 56 -7.905 -4.010 8.158 397 H ALA 57 H ALA 57 -10.553 -0.960 7.947 398 HA ALA 57 HA ALA 57 -13.223 -1.957 7.561 399 HB1 ALA 57 HB1 ALA 57 -12.278 0.789 8.387 400 HB2 ALA 57 HB2 ALA 57 -12.659 -0.541 9.482 401 HB3 ALA 57 HB3 ALA 57 -13.930 0.185 8.499 402 H ALA 58 H ALA 58 -11.105 0.396 6.030 403 HA ALA 58 HA ALA 58 -12.989 1.461 4.215 404 HB1 ALA 58 HB1 ALA 58 -11.062 2.360 3.021 405 HB2 ALA 58 HB2 ALA 58 -9.986 1.326 3.963 406 HB3 ALA 58 HB3 ALA 58 -10.904 2.604 4.759 407 H LEU 59 H LEU 59 -11.261 -1.489 4.282 408 HA LEU 59 HA LEU 59 -10.917 -2.190 1.646 409 HB2 LEU 59 HB2 LEU 59 -10.223 -3.526 3.602 410 HB3 LEU 59 HB3 LEU 59 -11.890 -3.983 3.867 411 HG LEU 59 HG LEU 59 -11.908 -5.122 1.669 412 HD11 LEU 59 HD11 LEU 59 -9.746 -5.559 0.560 413 HD12 LEU 59 HD12 LEU 59 -8.985 -4.397 1.647 414 HD13 LEU 59 HD13 LEU 59 -10.219 -3.862 0.506 415 HD21 LEU 59 HD21 LEU 59 -9.723 -6.015 3.542 416 HD22 LEU 59 HD22 LEU 59 -10.526 -7.021 2.338 417 HD23 LEU 59 HD23 LEU 59 -11.440 -6.380 3.702 418 H TYR 60 H TYR 60 -13.898 -2.197 3.517 419 HA TYR 60 HA TYR 60 -15.541 -3.542 1.686 420 HB2 TYR 60 HB2 TYR 60 -16.202 -2.970 4.015 421 HB3 TYR 60 HB3 TYR 60 -16.335 -1.281 3.536 422 HD1 TYR 60 HD2 TYR 60 -17.713 -4.661 2.848 423 HD2 TYR 60 HD1 TYR 60 -18.336 -0.463 2.620 424 HE1 TYR 60 HE2 TYR 60 -20.046 -5.050 2.182 425 HE2 TYR 60 HE1 TYR 60 -20.672 -0.837 1.951 426 HH TYR 60 HH TYR 60 -22.050 -2.571 0.944 427 H ALA 61 H ALA 61 -14.884 -0.058 2.035 428 HA ALA 61 HA ALA 61 -16.419 0.736 -0.214 429 HB1 ALA 61 HB1 ALA 61 -15.246 2.878 -0.003 430 HB2 ALA 61 HB2 ALA 61 -14.118 2.147 1.138 431 HB3 ALA 61 HB3 ALA 61 -15.824 2.299 1.560 432 H VAL 62 H VAL 62 -13.130 -0.335 0.227 433 HA VAL 62 HA VAL 62 -12.120 0.337 -2.320 434 HB VAL 62 HB VAL 62 -11.336 -1.904 -0.449 435 HG11 VAL 62 HG11 VAL 62 -9.229 -1.981 -1.700 436 HG12 VAL 62 HG12 VAL 62 -9.885 -0.825 -2.859 437 HG13 VAL 62 HG13 VAL 62 -10.612 -2.425 -2.700 438 HG21 VAL 62 HG21 VAL 62 -9.490 -0.418 0.165 439 HG22 VAL 62 HG22 VAL 62 -11.056 0.314 0.509 440 HG23 VAL 62 HG23 VAL 62 -10.136 0.824 -0.907 441 H LYS 63 H LYS 63 -13.649 -2.623 -1.083 442 HA LYS 63 HA LYS 63 -13.571 -4.027 -3.551 443 HB2 LYS 63 HB2 LYS 63 -13.906 -4.983 -1.222 444 HB3 LYS 63 HB3 LYS 63 -15.566 -4.415 -1.320 445 HG2 LYS 63 HG2 LYS 63 -15.965 -5.846 -3.238 446 HG3 LYS 63 HG3 LYS 63 -14.283 -6.384 -3.201 447 HD2 LYS 63 HD2 LYS 63 -14.712 -7.168 -0.845 448 HD3 LYS 63 HD3 LYS 63 -16.422 -6.857 -1.137 449 HE2 LYS 63 HE2 LYS 63 -14.687 -8.724 -2.750 450 HE3 LYS 63 HE3 LYS 63 -15.824 -9.219 -1.499 451 HZ1 LYS 63 HZ1 LYS 63 -16.781 -9.458 -3.695 452 HZ2 LYS 63 HZ2 LYS 63 -16.525 -7.819 -4.023 453 HZ3 LYS 63 HZ3 LYS 63 -17.622 -8.270 -2.819 454 H LYS 64 H LYS 64 -15.824 -1.848 -2.034 455 HA LYS 64 HA LYS 64 -17.971 -2.002 -3.829 456 HB2 LYS 64 HB2 LYS 64 -18.151 -0.843 -1.712 457 HB3 LYS 64 HB3 LYS 64 -16.911 0.305 -2.188 458 HG2 LYS 64 HG2 LYS 64 -18.432 1.112 -3.980 459 HG3 LYS 64 HG3 LYS 64 -19.685 0.050 -3.329 460 HD2 LYS 64 HD2 LYS 64 -19.531 1.201 -1.172 461 HD3 LYS 64 HD3 LYS 64 -18.282 2.261 -1.824 462 HE2 LYS 64 HE2 LYS 64 -20.404 3.405 -1.833 463 HE3 LYS 64 HE3 LYS 64 -19.897 3.089 -3.491 464 HZ1 LYS 64 HZ1 LYS 64 -22.288 2.633 -2.987 465 HZ2 LYS 64 HZ2 LYS 64 -21.785 1.340 -2.012 466 HZ3 LYS 64 HZ3 LYS 64 -21.447 1.331 -3.675 467 H ALA 65 H ALA 65 -14.888 -0.345 -4.020 468 HA ALA 65 HA ALA 65 -15.500 1.416 -6.136 469 HB1 ALA 65 HB1 ALA 65 -12.831 0.248 -5.359 470 HB2 ALA 65 HB2 ALA 65 -13.553 1.718 -4.703 471 HB3 ALA 65 HB3 ALA 65 -13.084 1.649 -6.402 472 H SER 66 H SER 66 -14.528 -1.953 -6.081 473 HA SER 66 HA SER 66 -13.871 -2.291 -8.779 474 HB2 SER 66 HB2 SER 66 -15.273 -4.288 -6.976 475 HB3 SER 66 HB3 SER 66 -14.344 -4.658 -8.429 476 HG SER 66 HG SER 66 -12.577 -4.558 -7.295 477 H GLN 67 H GLN 67 -16.958 -2.214 -7.110 478 HA GLN 67 HA GLN 67 -18.476 -2.820 -9.486 479 HB2 GLN 67 HB2 GLN 67 -19.055 -2.340 -6.614 480 HB3 GLN 67 HB3 GLN 67 -20.338 -1.970 -7.753 481 HG2 GLN 67 HG2 GLN 67 -20.424 -4.262 -6.770 482 HG3 GLN 67 HG3 GLN 67 -20.423 -4.207 -8.529 483 HE21 GLN 67 HE21 GLN 67 -18.674 -4.978 -9.655 484 HE22 GLN 67 HE22 GLN 67 -17.431 -5.939 -8.919 485 H LEU 68 H LEU 68 -17.527 0.005 -7.643 486 HA LEU 68 HA LEU 68 -19.291 1.851 -8.884 487 HB2 LEU 68 HB2 LEU 68 -18.177 2.293 -6.743 488 HB3 LEU 68 HB3 LEU 68 -16.620 2.311 -7.547 489 HG LEU 68 HG LEU 68 -17.342 4.309 -8.830 490 HD11 LEU 68 HD11 LEU 68 -19.345 5.521 -8.089 491 HD12 LEU 68 HD12 LEU 68 -19.761 4.169 -7.035 492 HD13 LEU 68 HD13 LEU 68 -19.743 3.949 -8.785 493 HD21 LEU 68 HD21 LEU 68 -16.046 4.543 -6.769 494 HD22 LEU 68 HD22 LEU 68 -17.539 4.583 -5.832 495 HD23 LEU 68 HD23 LEU 68 -17.178 5.880 -6.971 496 H GLY 69 H GLY 69 -16.217 0.497 -9.785 497 HA2 GLY 69 HA2 GLY 69 -15.558 0.367 -12.060 498 HA3 GLY 69 HA3 GLY 69 -16.500 1.813 -12.390 499 H VAL 70 H VAL 70 -14.344 1.678 -9.656 500 HA VAL 70 HA VAL 70 -12.361 3.248 -11.150 501 HB VAL 70 HB VAL 70 -12.020 4.679 -9.137 502 HG11 VAL 70 HG11 VAL 70 -14.761 4.795 -10.382 503 HG12 VAL 70 HG12 VAL 70 -13.286 5.514 -11.028 504 HG13 VAL 70 HG13 VAL 70 -13.972 6.116 -9.518 505 HG21 VAL 70 HG21 VAL 70 -13.812 4.822 -7.464 506 HG22 VAL 70 HG22 VAL 70 -13.012 3.249 -7.443 507 HG23 VAL 70 HG23 VAL 70 -14.595 3.423 -8.201 508 H LYS 71 H LYS 71 -10.301 2.698 -10.794 509 HA LYS 71 HA LYS 71 -9.639 1.030 -8.482 510 HB2 LYS 71 HB2 LYS 71 -9.759 -0.496 -10.280 511 HB3 LYS 71 HB3 LYS 71 -9.044 0.648 -11.407 512 HG2 LYS 71 HG2 LYS 71 -6.978 0.428 -9.808 513 HG3 LYS 71 HG3 LYS 71 -7.745 -1.108 -9.400 514 HD2 LYS 71 HD2 LYS 71 -6.091 -1.268 -11.220 515 HD3 LYS 71 HD3 LYS 71 -7.694 -1.808 -11.701 516 HE2 LYS 71 HE2 LYS 71 -8.079 0.272 -12.858 517 HE3 LYS 71 HE3 LYS 71 -6.574 0.942 -12.235 518 HZ1 LYS 71 HZ1 LYS 71 -5.323 -0.619 -13.534 519 HZ2 LYS 71 HZ2 LYS 71 -6.417 0.174 -14.555 520 HZ3 LYS 71 HZ3 LYS 71 -6.734 -1.409 -14.049 521 H ILE 72 H ILE 72 -7.597 1.502 -7.550 522 HA ILE 72 HA ILE 72 -6.167 3.723 -8.845 523 HB ILE 72 HB ILE 72 -5.166 4.288 -6.740 524 HG12 ILE 72 HG12 ILE 72 -6.248 2.947 -4.681 525 HG13 ILE 72 HG13 ILE 72 -6.218 1.650 -5.871 526 HG21 ILE 72 HG21 ILE 72 -8.115 3.797 -6.385 527 HG22 ILE 72 HG22 ILE 72 -7.369 5.203 -7.147 528 HG23 ILE 72 HG23 ILE 72 -7.137 4.905 -5.425 529 HD11 ILE 72 HD11 ILE 72 -3.811 1.994 -6.162 530 HD12 ILE 72 HD12 ILE 72 -4.235 1.602 -4.495 531 HD13 ILE 72 HD13 ILE 72 -3.857 3.266 -4.940 532 H ARG 73 H ARG 73 -3.793 3.587 -8.809 533 HA ARG 73 HA ARG 73 -3.158 0.945 -9.814 534 HB2 ARG 73 HB2 ARG 73 -1.357 3.359 -9.763 535 HB3 ARG 73 HB3 ARG 73 -1.275 1.970 -10.844 536 HG2 ARG 73 HG2 ARG 73 -3.371 2.626 -11.881 537 HG3 ARG 73 HG3 ARG 73 -3.509 3.988 -10.771 538 HD2 ARG 73 HD2 ARG 73 -2.643 4.999 -12.645 539 HD3 ARG 73 HD3 ARG 73 -1.183 4.652 -11.719 540 HE ARG 73 HE ARG 73 -1.575 2.463 -13.358 541 HH11 ARG 73 HH11 ARG 73 -1.081 5.902 -13.745 542 HH12 ARG 73 HH12 ARG 73 -0.336 5.754 -15.313 543 HH21 ARG 73 HH21 ARG 73 -0.611 2.241 -15.409 544 HH22 ARG 73 HH22 ARG 73 -0.069 3.657 -16.271 545 H ILE 74 H ILE 74 -2.730 -0.467 -8.239 546 HA ILE 74 HA ILE 74 -1.309 0.117 -5.863 547 HB ILE 74 HB ILE 74 -1.281 -2.269 -5.458 548 HG12 ILE 74 HG12 ILE 74 -2.149 -2.599 -8.348 549 HG13 ILE 74 HG13 ILE 74 -0.558 -3.007 -7.711 550 HG21 ILE 74 HG21 ILE 74 -3.825 -1.415 -6.833 551 HG22 ILE 74 HG22 ILE 74 -3.410 -1.174 -5.136 552 HG23 ILE 74 HG23 ILE 74 -3.673 -2.804 -5.758 553 HD11 ILE 74 HD11 ILE 74 -1.889 -4.998 -7.977 554 HD12 ILE 74 HD12 ILE 74 -3.171 -4.314 -6.979 555 HD13 ILE 74 HD13 ILE 74 -1.607 -4.699 -6.263 556 H LEU 75 H LEU 75 0.822 0.106 -5.431 557 HA LEU 75 HA LEU 75 3.062 0.251 -5.789 558 HB2 LEU 75 HB2 LEU 75 2.402 -2.120 -7.527 559 HB3 LEU 75 HB3 LEU 75 4.035 -1.492 -7.428 560 HG LEU 75 HG LEU 75 3.958 -1.882 -4.947 561 HD11 LEU 75 HD11 LEU 75 2.266 -3.465 -4.106 562 HD12 LEU 75 HD12 LEU 75 1.404 -3.330 -5.639 563 HD13 LEU 75 HD13 LEU 75 1.572 -1.920 -4.593 564 HD21 LEU 75 HD21 LEU 75 4.331 -4.288 -5.131 565 HD22 LEU 75 HD22 LEU 75 5.081 -3.417 -6.468 566 HD23 LEU 75 HD23 LEU 75 3.569 -4.289 -6.723 567 H HIS 76 H HIS 76 1.095 1.697 -7.473 568 HA HIS 76 HA HIS 76 0.932 3.038 -9.277 569 HB2 HIS 76 HB2 HIS 76 3.842 3.049 -8.659 570 HB3 HIS 76 HB3 HIS 76 3.317 3.792 -10.169 571 HD1 HIS 76 HD1 HIS 76 2.371 3.968 -6.477 572 HD2 HIS 76 HD2 HIS 76 2.578 6.377 -9.870 573 HE1 HIS 76 HE1 HIS 76 1.749 6.281 -5.716 574 HE2 HIS 76 HE2 HIS 76 1.698 7.677 -7.804 575 H ASP 77 H ASP 77 0.587 0.420 -9.871 576 HA ASP 77 HA ASP 77 0.093 -0.780 -11.739 577 HB2 ASP 77 HB2 ASP 77 0.264 1.715 -12.745 578 HB3 ASP 77 HB3 ASP 77 1.606 0.967 -13.604 579 H TYR 78 H TYR 78 1.359 -2.523 -11.156 580 HA TYR 78 HA TYR 78 4.048 -2.600 -12.336 581 HB2 TYR 78 HB2 TYR 78 3.857 -2.145 -9.755 582 HB3 TYR 78 HB3 TYR 78 3.540 -3.873 -9.671 583 HD1 TYR 78 HD2 TYR 78 6.010 -1.388 -10.898 584 HD2 TYR 78 HD1 TYR 78 5.326 -5.402 -9.666 585 HE1 TYR 78 HE2 TYR 78 8.431 -1.807 -10.952 586 HE2 TYR 78 HE1 TYR 78 7.747 -5.833 -9.712 587 HH TYR 78 HH TYR 78 9.768 -4.905 -10.846 588 H ALA 79 H ALA 79 4.917 -4.801 -12.511 589 HA ALA 79 HA ALA 79 3.077 -6.489 -13.850 590 HB1 ALA 79 HB1 ALA 79 5.411 -6.269 -14.534 591 HB2 ALA 79 HB2 ALA 79 4.980 -7.950 -14.226 592 HB3 ALA 79 HB3 ALA 79 5.923 -7.051 -13.039 593 H GLY 80 H GLY 80 3.791 -6.211 -10.590 594 HA2 GLY 80 HA2 GLY 80 4.017 -8.774 -9.592 595 HA3 GLY 80 HA3 GLY 80 3.263 -7.443 -8.733 596 H ILE 81 H ILE 81 1.197 -7.337 -10.993 597 HA ILE 81 HA ILE 81 -0.825 -8.759 -9.706 598 HB ILE 81 HB ILE 81 -2.172 -8.383 -11.780 599 HG12 ILE 81 HG12 ILE 81 -0.915 -6.643 -13.349 600 HG13 ILE 81 HG13 ILE 81 0.503 -7.536 -12.815 601 HG21 ILE 81 HG21 ILE 81 -2.106 -6.737 -10.000 602 HG22 ILE 81 HG22 ILE 81 -2.204 -5.945 -11.572 603 HG23 ILE 81 HG23 ILE 81 -0.668 -6.002 -10.708 604 HD11 ILE 81 HD11 ILE 81 -1.903 -8.707 -14.197 605 HD12 ILE 81 HD12 ILE 81 -0.478 -9.601 -13.668 606 HD13 ILE 81 HD13 ILE 81 -0.333 -8.380 -14.931 607 H ALA 82 H ALA 82 1.483 -9.830 -12.060 608 HA ALA 82 HA ALA 82 -0.015 -12.123 -12.928 609 HB1 ALA 82 HB1 ALA 82 2.016 -12.765 -14.096 610 HB2 ALA 82 HB2 ALA 82 2.931 -11.541 -13.216 611 HB3 ALA 82 HB3 ALA 82 1.675 -11.053 -14.355 612 H PHE 83 H PHE 83 2.104 -11.404 -10.294 613 HA PHE 83 HA PHE 83 2.884 -14.130 -9.799 614 HB2 PHE 83 HB2 PHE 83 3.170 -11.636 -8.116 615 HB3 PHE 83 HB3 PHE 83 3.862 -13.202 -7.706 616 HD1 PHE 83 HD1 PHE 83 5.607 -14.192 -9.196 617 HD2 PHE 83 HD2 PHE 83 4.238 -10.190 -9.640 618 HE1 PHE 83 HE1 PHE 83 7.610 -13.658 -10.517 619 HE2 PHE 83 HE2 PHE 83 6.243 -9.646 -10.962 620 HZ PHE 83 HZ PHE 83 7.930 -11.384 -11.403 621 H TRP 84 H TRP 84 0.597 -11.828 -8.366 622 HA TRP 84 HA TRP 84 -0.356 -13.709 -6.438 623 HB2 TRP 84 HB2 TRP 84 -1.481 -11.087 -7.425 624 HB3 TRP 84 HB3 TRP 84 -2.237 -12.050 -6.160 625 HD1 TRP 84 HD1 TRP 84 -0.274 -12.681 -4.084 626 HE1 TRP 84 HE1 TRP 84 1.220 -10.961 -2.883 627 HE3 TRP 84 HE3 TRP 84 -0.453 -8.911 -7.532 628 HZ2 TRP 84 HZ2 TRP 84 2.189 -8.354 -3.341 629 HZ3 TRP 84 HZ3 TRP 84 0.784 -6.835 -7.071 630 HH2 TRP 84 HH2 TRP 84 2.077 -6.561 -5.019 631 H ALA 85 H ALA 85 -1.102 -13.007 -9.741 632 HA ALA 85 HA ALA 85 -3.628 -14.307 -9.867 633 HB1 ALA 85 HB1 ALA 85 -3.318 -14.279 -12.272 634 HB2 ALA 85 HB2 ALA 85 -1.609 -13.896 -12.071 635 HB3 ALA 85 HB3 ALA 85 -2.838 -12.727 -11.584 636 H THR 86 H THR 86 -0.372 -15.376 -10.846 637 HA THR 86 HA THR 86 -1.135 -18.110 -10.149 638 HB THR 86 HB THR 86 -1.503 -18.173 -12.484 639 HG1 THR 86 HG1 THR 86 0.517 -19.409 -13.179 640 HG21 THR 86 HG21 THR 86 0.145 -17.410 -14.149 641 HG22 THR 86 HG22 THR 86 1.157 -16.792 -12.843 642 HG23 THR 86 HG23 THR 86 -0.434 -16.090 -13.133 643 H GLY 87 H GLY 87 1.566 -16.039 -11.232 644 HA2 GLY 87 HA2 GLY 87 3.502 -15.590 -10.022 645 HA3 GLY 87 HA3 GLY 87 3.071 -16.865 -8.896 646 H GLU 88 H GLU 88 2.976 -19.105 -10.207 647 HA GLU 88 HA GLU 88 5.735 -19.671 -10.525 648 HB2 GLU 88 HB2 GLU 88 3.410 -21.449 -11.272 649 HB3 GLU 88 HB3 GLU 88 5.056 -21.957 -10.925 650 HG2 GLU 88 HG2 GLU 88 4.763 -21.116 -8.610 651 HG3 GLU 88 HG3 GLU 88 3.072 -20.793 -8.992 652 H TRP 89 H TRP 89 3.068 -20.059 -12.838 653 HA TRP 89 HA TRP 89 4.739 -19.079 -14.984 654 HB2 TRP 89 HB2 TRP 89 5.316 -21.465 -14.935 655 HB3 TRP 89 HB3 TRP 89 3.612 -21.889 -15.044 656 HD1 TRP 89 HD1 TRP 89 2.795 -22.393 -17.398 657 HE1 TRP 89 HE1 TRP 89 3.557 -21.844 -19.800 658 HE3 TRP 89 HE3 TRP 89 6.758 -19.370 -16.295 659 HZ2 TRP 89 HZ2 TRP 89 5.587 -20.332 -21.046 660 HZ3 TRP 89 HZ3 TRP 89 8.061 -18.411 -18.148 661 HH2 TRP 89 HH2 TRP 89 7.487 -18.882 -20.470 662 H LYS 90 H LYS 90 3.471 -18.773 -16.962 663 HA LYS 90 HA LYS 90 1.009 -17.539 -16.412 664 HB2 LYS 90 HB2 LYS 90 2.699 -18.016 -18.765 665 HB3 LYS 90 HB3 LYS 90 0.982 -17.914 -19.130 666 HG2 LYS 90 HG2 LYS 90 2.166 -15.755 -19.320 667 HG3 LYS 90 HG3 LYS 90 0.837 -15.728 -18.163 668 HD2 LYS 90 HD2 LYS 90 2.678 -14.544 -17.204 669 HD3 LYS 90 HD3 LYS 90 2.512 -16.075 -16.345 670 HE2 LYS 90 HE2 LYS 90 4.349 -17.018 -17.612 671 HE3 LYS 90 HE3 LYS 90 4.474 -15.545 -18.575 672 HZ1 LYS 90 HZ1 LYS 90 6.144 -15.590 -16.835 673 HZ2 LYS 90 HZ2 LYS 90 4.946 -15.750 -15.646 674 HZ3 LYS 90 HZ3 LYS 90 5.045 -14.326 -16.561 675 H ALA 91 H ALA 91 -1.032 -18.055 -17.606 676 HA ALA 91 HA ALA 91 -1.898 -20.633 -16.760 677 HB1 ALA 91 HB1 ALA 91 -3.333 -18.551 -18.393 678 HB2 ALA 91 HB2 ALA 91 -3.333 -18.670 -16.634 679 HB3 ALA 91 HB3 ALA 91 -4.073 -19.943 -17.605 680 H LYS 92 H LYS 92 -1.541 -22.436 -17.834 681 HA LYS 92 HA LYS 92 -0.702 -22.391 -20.570 682 HB2 LYS 92 HB2 LYS 92 0.348 -23.847 -18.876 683 HB3 LYS 92 HB3 LYS 92 -1.161 -24.734 -18.714 684 HG2 LYS 92 HG2 LYS 92 -0.985 -25.583 -20.938 685 HG3 LYS 92 HG3 LYS 92 0.392 -24.532 -21.284 686 HD2 LYS 92 HD2 LYS 92 1.019 -26.896 -20.810 687 HD3 LYS 92 HD3 LYS 92 1.776 -25.727 -19.731 688 HE2 LYS 92 HE2 LYS 92 0.211 -26.246 -17.980 689 HE3 LYS 92 HE3 LYS 92 -0.718 -27.281 -19.063 690 HZ1 LYS 92 HZ1 LYS 92 1.090 -28.820 -19.165 691 HZ2 LYS 92 HZ2 LYS 92 0.762 -28.505 -17.534 692 HZ3 LYS 92 HZ3 LYS 92 2.106 -27.790 -18.278 693 H ASN 93 H ASN 93 -2.937 -21.410 -21.029 694 HA ASN 93 HA ASN 93 -4.571 -21.553 -22.577 695 HB2 ASN 93 HB2 ASN 93 -3.559 -24.372 -22.817 696 HB3 ASN 93 HB3 ASN 93 -4.903 -23.773 -23.784 697 HD21 ASN 93 HD21 ASN 93 -2.254 -24.678 -24.610 698 HD22 ASN 93 HD22 ASN 93 -1.567 -23.358 -25.495 699 H GLU 94 H GLU 94 -4.726 -23.750 -19.893 700 HA GLU 94 HA GLU 94 -7.422 -24.596 -20.409 701 HB2 GLU 94 HB2 GLU 94 -5.576 -25.819 -19.066 702 HB3 GLU 94 HB3 GLU 94 -6.055 -24.776 -17.734 703 HG2 GLU 94 HG2 GLU 94 -8.403 -25.641 -18.064 704 HG3 GLU 94 HG3 GLU 94 -7.712 -26.841 -19.155 705 H PHE 95 H PHE 95 -8.794 -24.408 -18.129 706 HA PHE 95 HA PHE 95 -10.070 -21.962 -18.234 707 HB2 PHE 95 HB2 PHE 95 -10.978 -24.084 -17.283 708 HB3 PHE 95 HB3 PHE 95 -9.976 -23.834 -15.860 709 HD1 PHE 95 HD1 PHE 95 -12.834 -22.520 -17.780 710 HD2 PHE 95 HD2 PHE 95 -10.623 -22.331 -14.144 711 HE1 PHE 95 HE1 PHE 95 -14.619 -21.170 -16.765 712 HE2 PHE 95 HE2 PHE 95 -12.410 -20.979 -13.126 713 HZ PHE 95 HZ PHE 95 -14.411 -20.396 -14.437 714 H THR 96 H THR 96 -7.320 -22.924 -16.325 715 HA THR 96 HA THR 96 -7.195 -21.059 -14.325 716 HB THR 96 HB THR 96 -4.830 -21.912 -16.010 717 HG1 THR 96 HG1 THR 96 -5.290 -23.287 -13.675 718 HG21 THR 96 HG21 THR 96 -5.043 -21.036 -13.124 719 HG22 THR 96 HG22 THR 96 -4.292 -20.131 -14.439 720 HG23 THR 96 HG23 THR 96 -3.581 -21.651 -13.896 721 H GLN 97 H GLN 97 -6.572 -20.584 -17.757 722 HA GLN 97 HA GLN 97 -5.409 -18.057 -17.724 723 HB2 GLN 97 HB2 GLN 97 -6.249 -19.824 -19.644 724 HB3 GLN 97 HB3 GLN 97 -7.385 -18.502 -19.855 725 HG2 GLN 97 HG2 GLN 97 -4.494 -17.861 -19.669 726 HG3 GLN 97 HG3 GLN 97 -5.104 -18.590 -21.149 727 HE21 GLN 97 HE21 GLN 97 -4.656 -16.725 -22.332 728 HE22 GLN 97 HE22 GLN 97 -5.627 -15.290 -22.193 729 H ALA 98 H ALA 98 -8.849 -18.945 -17.839 730 HA ALA 98 HA ALA 98 -9.790 -16.267 -17.893 731 HB1 ALA 98 HB1 ALA 98 -11.120 -18.147 -18.717 732 HB2 ALA 98 HB2 ALA 98 -11.985 -17.235 -17.478 733 HB3 ALA 98 HB3 ALA 98 -11.236 -18.780 -17.075 734 H TYR 99 H TYR 99 -8.902 -18.463 -15.366 735 HA TYR 99 HA TYR 99 -10.241 -17.094 -13.240 736 HB2 TYR 99 HB2 TYR 99 -9.727 -19.467 -13.059 737 HB3 TYR 99 HB3 TYR 99 -8.009 -19.136 -13.228 738 HD1 TYR 99 HD1 TYR 99 -10.916 -18.803 -10.965 739 HD2 TYR 99 HD2 TYR 99 -6.689 -18.484 -11.350 740 HE1 TYR 99 HE1 TYR 99 -10.706 -18.664 -8.518 741 HE2 TYR 99 HE2 TYR 99 -6.471 -18.344 -8.906 742 HH TYR 99 HH TYR 99 -7.675 -17.892 -6.967 743 H ALA 100 H ALA 100 -6.939 -17.106 -14.524 744 HA ALA 100 HA ALA 100 -6.043 -15.331 -12.383 745 HB1 ALA 100 HB1 ALA 100 -4.482 -16.618 -14.620 746 HB2 ALA 100 HB2 ALA 100 -4.666 -17.260 -12.988 747 HB3 ALA 100 HB3 ALA 100 -3.806 -15.742 -13.245 748 H LYS 101 H LYS 101 -7.200 -15.036 -15.567 749 HA LYS 101 HA LYS 101 -5.575 -13.003 -16.596 750 HB2 LYS 101 HB2 LYS 101 -7.122 -14.348 -17.949 751 HB3 LYS 101 HB3 LYS 101 -8.486 -13.555 -17.182 752 HG2 LYS 101 HG2 LYS 101 -7.968 -11.480 -18.216 753 HG3 LYS 101 HG3 LYS 101 -6.411 -12.084 -18.785 754 HD2 LYS 101 HD2 LYS 101 -8.122 -12.019 -20.571 755 HD3 LYS 101 HD3 LYS 101 -7.509 -13.644 -20.269 756 HE2 LYS 101 HE2 LYS 101 -9.495 -14.077 -18.849 757 HE3 LYS 101 HE3 LYS 101 -10.115 -12.490 -19.294 758 HZ1 LYS 101 HZ1 LYS 101 -9.549 -14.698 -21.205 759 HZ2 LYS 101 HZ2 LYS 101 -10.204 -13.185 -21.597 760 HZ3 LYS 101 HZ3 LYS 101 -11.087 -14.266 -20.634 761 H LEU 102 H LEU 102 -5.150 -11.406 -15.175 762 HA LEU 102 HA LEU 102 -5.331 -9.375 -14.205 763 HB2 LEU 102 HB2 LEU 102 -7.838 -9.239 -15.868 764 HB3 LEU 102 HB3 LEU 102 -7.187 -7.885 -14.967 765 HG LEU 102 HG LEU 102 -5.805 -9.312 -17.239 766 HD11 LEU 102 HD11 LEU 102 -7.693 -7.943 -17.963 767 HD12 LEU 102 HD12 LEU 102 -6.156 -7.241 -18.464 768 HD13 LEU 102 HD13 LEU 102 -7.028 -6.562 -17.090 769 HD21 LEU 102 HD21 LEU 102 -4.142 -7.521 -17.067 770 HD22 LEU 102 HD22 LEU 102 -4.205 -8.496 -15.599 771 HD23 LEU 102 HD23 LEU 102 -4.962 -6.903 -15.633 772 H MET 103 H MET 103 -6.602 -11.762 -12.943 773 HA MET 103 HA MET 103 -8.958 -10.950 -11.614 774 HB2 MET 103 HB2 MET 103 -8.452 -12.803 -10.017 775 HB3 MET 103 HB3 MET 103 -8.481 -13.282 -11.705 776 HG2 MET 103 HG2 MET 103 -6.661 -14.418 -10.870 777 HG3 MET 103 HG3 MET 103 -5.927 -13.002 -11.612 778 HE1 MET 103 HE1 MET 103 -7.824 -13.259 -8.127 779 HE2 MET 103 HE2 MET 103 -6.459 -13.614 -7.067 780 HE3 MET 103 HE3 MET 103 -6.947 -14.779 -8.298 781 H ASN 104 H ASN 104 -5.563 -10.555 -10.837 782 HA ASN 104 HA ASN 104 -5.964 -9.648 -8.171 783 HB2 ASN 104 HB2 ASN 104 -3.812 -10.557 -8.949 784 HB3 ASN 104 HB3 ASN 104 -3.618 -9.183 -10.028 785 HD21 ASN 104 HD21 ASN 104 -3.752 -10.192 -6.675 786 HD22 ASN 104 HD22 ASN 104 -2.932 -8.803 -6.041 787 H GLN 105 H GLN 105 -5.810 -8.106 -11.292 788 HA GLN 105 HA GLN 105 -5.706 -5.438 -10.397 789 HB2 GLN 105 HB2 GLN 105 -5.250 -6.498 -12.735 790 HB3 GLN 105 HB3 GLN 105 -6.976 -6.275 -12.979 791 HG2 GLN 105 HG2 GLN 105 -5.832 -3.888 -11.924 792 HG3 GLN 105 HG3 GLN 105 -4.925 -4.420 -13.334 793 HE21 GLN 105 HE21 GLN 105 -8.319 -5.082 -12.895 794 HE22 GLN 105 HE22 GLN 105 -8.891 -4.057 -14.170 795 H TYR 106 H TYR 106 -8.224 -7.760 -10.493 796 HA TYR 106 HA TYR 106 -10.328 -5.743 -10.452 797 HB2 TYR 106 HB2 TYR 106 -10.644 -7.835 -11.759 798 HB3 TYR 106 HB3 TYR 106 -10.555 -8.758 -10.263 799 HD1 TYR 106 HD2 TYR 106 -12.508 -6.009 -11.873 800 HD2 TYR 106 HD1 TYR 106 -12.511 -9.240 -9.097 801 HE1 TYR 106 HE2 TYR 106 -14.935 -5.739 -11.569 802 HE2 TYR 106 HE1 TYR 106 -14.937 -8.978 -8.791 803 HH TYR 106 HH TYR 106 -16.874 -7.196 -10.864 804 H ARG 107 H ARG 107 -8.829 -8.146 -8.339 805 HA ARG 107 HA ARG 107 -10.512 -7.503 -6.101 806 HB2 ARG 107 HB2 ARG 107 -9.015 -9.002 -4.843 807 HB3 ARG 107 HB3 ARG 107 -9.623 -9.754 -6.301 808 HG2 ARG 107 HG2 ARG 107 -7.502 -10.379 -6.605 809 HG3 ARG 107 HG3 ARG 107 -7.253 -8.729 -7.167 810 HD2 ARG 107 HD2 ARG 107 -6.988 -9.389 -4.254 811 HD3 ARG 107 HD3 ARG 107 -5.666 -9.738 -5.364 812 HE ARG 107 HE ARG 107 -6.272 -7.137 -5.884 813 HH11 ARG 107 HH11 ARG 107 -5.478 -8.887 -2.937 814 HH12 ARG 107 HH12 ARG 107 -4.748 -7.503 -2.174 815 HH21 ARG 107 HH21 ARG 107 -5.310 -5.334 -4.870 816 HH22 ARG 107 HH22 ARG 107 -4.639 -5.499 -3.277 817 H GLY 108 H GLY 108 -9.818 -6.512 -4.148 818 HA2 GLY 108 HA2 GLY 108 -8.816 -4.821 -2.954 819 HA3 GLY 108 HA3 GLY 108 -7.332 -5.605 -3.467 820 H ILE 109 H ILE 109 -9.718 -3.189 -4.396 821 HA ILE 109 HA ILE 109 -8.391 -2.116 -6.605 822 HB ILE 109 HB ILE 109 -10.346 -0.879 -4.671 823 HG12 ILE 109 HG12 ILE 109 -11.231 -2.738 -5.945 824 HG13 ILE 109 HG13 ILE 109 -11.940 -1.235 -6.529 825 HG21 ILE 109 HG21 ILE 109 -10.727 0.878 -6.330 826 HG22 ILE 109 HG22 ILE 109 -9.391 0.248 -7.294 827 HG23 ILE 109 HG23 ILE 109 -9.083 0.920 -5.692 828 HD11 ILE 109 HD11 ILE 109 -10.385 -1.255 -8.422 829 HD12 ILE 109 HD12 ILE 109 -11.386 -2.706 -8.371 830 HD13 ILE 109 HD13 ILE 109 -9.706 -2.774 -7.836 831 H TYR 110 H TYR 110 -7.743 -1.731 -3.223 832 HA TYR 110 HA TYR 110 -6.271 0.746 -3.670 833 HB2 TYR 110 HB2 TYR 110 -6.260 1.062 -1.339 834 HB3 TYR 110 HB3 TYR 110 -7.832 0.340 -1.659 835 HD1 TYR 110 HD2 TYR 110 -7.630 -2.425 -1.622 836 HD2 TYR 110 HD1 TYR 110 -5.242 0.330 0.574 837 HE1 TYR 110 HE2 TYR 110 -7.119 -4.182 0.020 838 HE2 TYR 110 HE1 TYR 110 -4.722 -1.421 2.218 839 HH TYR 110 HH TYR 110 -5.629 -3.511 3.027 840 H SER 111 H SER 111 -4.085 0.968 -2.789 841 HA SER 111 HA SER 111 -2.414 -1.140 -3.748 842 HB2 SER 111 HB2 SER 111 -1.941 1.349 -3.956 843 HB3 SER 111 HB3 SER 111 -1.520 1.326 -2.245 844 HG SER 111 HG SER 111 0.371 0.977 -3.239 845 H PHE 112 H PHE 112 -0.348 -1.580 -2.256 846 HA PHE 112 HA PHE 112 -1.523 -2.871 0.093 847 HB2 PHE 112 HB2 PHE 112 1.074 -3.416 -1.364 848 HB3 PHE 112 HB3 PHE 112 0.522 -4.292 0.057 849 HD1 PHE 112 HD2 PHE 112 -0.013 -3.727 -3.524 850 HD2 PHE 112 HD1 PHE 112 -1.213 -5.937 -0.094 851 HE1 PHE 112 HE2 PHE 112 -1.204 -5.319 -4.970 852 HE2 PHE 112 HE1 PHE 112 -2.401 -7.537 -1.537 853 HZ PHE 112 HZ PHE 112 -2.399 -7.228 -3.977 854 H GLU 113 H GLU 113 0.020 -3.125 1.988 855 HA GLU 113 HA GLU 113 1.178 -0.511 2.568 856 HB2 GLU 113 HB2 GLU 113 1.226 -1.278 4.923 857 HB3 GLU 113 HB3 GLU 113 -0.386 -1.324 4.224 858 HG2 GLU 113 HG2 GLU 113 1.338 -3.769 4.304 859 HG3 GLU 113 HG3 GLU 113 0.388 -3.268 5.693 860 H LYS 114 H LYS 114 3.208 -0.236 2.185 861 HA LYS 114 HA LYS 114 5.193 -2.332 2.452 862 HB2 LYS 114 HB2 LYS 114 3.845 -1.791 -0.042 863 HB3 LYS 114 HB3 LYS 114 5.543 -1.375 -0.182 864 HG2 LYS 114 HG2 LYS 114 5.244 -3.628 -0.914 865 HG3 LYS 114 HG3 LYS 114 6.113 -3.653 0.620 866 HD2 LYS 114 HD2 LYS 114 4.081 -4.242 1.799 867 HD3 LYS 114 HD3 LYS 114 3.148 -4.110 0.307 868 HE2 LYS 114 HE2 LYS 114 4.334 -5.974 -0.654 869 HE3 LYS 114 HE3 LYS 114 5.413 -6.053 0.738 870 HZ1 LYS 114 HZ1 LYS 114 3.639 -6.754 2.120 871 HZ2 LYS 114 HZ2 LYS 114 3.582 -7.725 0.730 872 HZ3 LYS 114 HZ3 LYS 114 2.474 -6.454 0.924 873 H VAL 115 H VAL 115 7.358 -1.490 2.301 874 HA VAL 115 HA VAL 115 7.483 1.434 2.494 875 HB VAL 115 HB VAL 115 8.492 0.082 4.323 876 HG11 VAL 115 HG11 VAL 115 9.295 -1.807 3.033 877 HG12 VAL 115 HG12 VAL 115 10.616 -1.070 3.940 878 HG13 VAL 115 HG13 VAL 115 10.461 -0.771 2.210 879 HG21 VAL 115 HG21 VAL 115 9.267 2.346 3.936 880 HG22 VAL 115 HG22 VAL 115 10.434 1.766 2.748 881 HG23 VAL 115 HG23 VAL 115 10.608 1.321 4.446 882 H LYS 116 H LYS 116 8.923 2.663 1.209 883 HA LYS 116 HA LYS 116 10.637 1.386 -0.730 884 HB2 LYS 116 HB2 LYS 116 9.648 2.219 -2.725 885 HB3 LYS 116 HB3 LYS 116 8.339 1.445 -1.842 886 HG2 LYS 116 HG2 LYS 116 7.287 3.414 -1.385 887 HG3 LYS 116 HG3 LYS 116 8.781 4.346 -1.411 888 HD2 LYS 116 HD2 LYS 116 7.387 4.934 -3.308 889 HD3 LYS 116 HD3 LYS 116 8.860 4.134 -3.856 890 HE2 LYS 116 HE2 LYS 116 7.648 2.051 -4.138 891 HE3 LYS 116 HE3 LYS 116 6.178 2.804 -3.525 892 HZ1 LYS 116 HZ1 LYS 116 6.191 4.305 -5.412 893 HZ2 LYS 116 HZ2 LYS 116 6.192 2.695 -5.944 894 HZ3 LYS 116 HZ3 LYS 116 7.623 3.604 -5.994 895 H ALA 117 H ALA 117 11.755 3.061 -2.084 896 HA ALA 117 HA ALA 117 12.621 5.091 -2.601 897 HB1 ALA 117 HB1 ALA 117 11.688 7.152 -1.738 898 HB2 ALA 117 HB2 ALA 117 10.771 6.252 -0.529 899 HB3 ALA 117 HB3 ALA 117 10.402 6.054 -2.242 900 H HIS 118 H HIS 118 14.163 6.606 -1.847 901 HA HIS 118 HA HIS 118 15.191 6.042 0.853 902 HB2 HIS 118 HB2 HIS 118 17.480 6.143 0.028 903 HB3 HIS 118 HB3 HIS 118 16.591 4.908 -0.851 904 HD1 HIS 118 HD1 HIS 118 16.082 5.367 -3.367 905 HD2 HIS 118 HD2 HIS 118 18.409 8.274 -1.506 906 HE1 HIS 118 HE1 HIS 118 17.041 6.766 -5.227 907 HE2 HIS 118 HE2 HIS 118 18.288 8.633 -4.068 908 H SER 119 H SER 119 13.845 8.269 -1.080 909 HA SER 119 HA SER 119 14.717 10.394 0.682 910 HB2 SER 119 HB2 SER 119 16.239 10.479 -1.335 911 HB3 SER 119 HB3 SER 119 14.813 10.805 -2.317 912 HG SER 119 HG SER 119 14.823 12.474 -0.226 913 H GLY 120 H GLY 120 12.623 9.240 -1.910 914 HA2 GLY 120 HA2 GLY 120 10.360 9.388 -2.152 915 HA3 GLY 120 HA3 GLY 120 10.297 10.058 -0.532 916 H ASN 121 H ASN 121 8.665 10.847 -2.650 917 HA ASN 121 HA ASN 121 9.447 13.489 -3.467 918 HB2 ASN 121 HB2 ASN 121 7.608 11.906 -4.473 919 HB3 ASN 121 HB3 ASN 121 6.587 12.576 -3.208 920 HD21 ASN 121 HD21 ASN 121 6.328 12.792 -6.097 921 HD22 ASN 121 HD22 ASN 121 6.349 14.485 -6.452 922 H GLU 122 H GLU 122 7.730 15.312 -2.682 923 HA GLU 122 HA GLU 122 8.573 16.033 -0.167 924 HB2 GLU 122 HB2 GLU 122 7.631 17.586 -1.817 925 HB3 GLU 122 HB3 GLU 122 6.031 16.917 -1.525 926 HG2 GLU 122 HG2 GLU 122 6.155 17.659 0.802 927 HG3 GLU 122 HG3 GLU 122 7.743 18.357 0.485 928 H PHE 123 H PHE 123 5.345 14.754 -0.947 929 HA PHE 123 HA PHE 123 4.647 14.615 1.831 930 HB2 PHE 123 HB2 PHE 123 3.254 13.681 -0.668 931 HB3 PHE 123 HB3 PHE 123 2.605 13.375 0.943 932 HD1 PHE 123 HD2 PHE 123 2.149 15.352 2.445 933 HD2 PHE 123 HD1 PHE 123 2.911 15.746 -1.720 934 HE1 PHE 123 HE2 PHE 123 1.136 17.591 2.478 935 HE2 PHE 123 HE1 PHE 123 1.905 17.993 -1.694 936 HZ PHE 123 HZ PHE 123 1.015 18.916 0.406 937 H ASN 124 H ASN 124 6.072 12.427 -0.455 938 HA ASN 124 HA ASN 124 5.524 10.042 1.027 939 HB2 ASN 124 HB2 ASN 124 6.116 10.056 -1.417 940 HB3 ASN 124 HB3 ASN 124 7.763 10.485 -0.966 941 HD21 ASN 124 HD21 ASN 124 8.530 8.570 -1.927 942 HD22 ASN 124 HD22 ASN 124 8.360 7.044 -1.131 943 H ASP 125 H ASP 125 7.931 12.518 1.072 944 HA ASP 125 HA ASP 125 9.991 11.426 2.546 945 HB2 ASP 125 HB2 ASP 125 10.197 13.622 1.634 946 HB3 ASP 125 HB3 ASP 125 8.800 14.199 2.533 947 H TYR 126 H TYR 126 6.809 12.401 3.616 948 HA TYR 126 HA TYR 126 7.193 12.417 6.383 949 HB2 TYR 126 HB2 TYR 126 4.924 12.174 4.562 950 HB3 TYR 126 HB3 TYR 126 4.691 11.285 6.063 951 HD1 TYR 126 HD1 TYR 126 5.624 12.780 8.187 952 HD2 TYR 126 HD2 TYR 126 3.975 14.275 4.560 953 HE1 TYR 126 HE1 TYR 126 4.972 14.846 9.345 954 HE2 TYR 126 HE2 TYR 126 3.326 16.353 5.707 955 HH TYR 126 HH TYR 126 2.784 17.014 8.134 956 H VAL 127 H VAL 127 6.231 9.714 4.278 957 HA VAL 127 HA VAL 127 6.399 7.812 6.424 958 HB VAL 127 HB VAL 127 6.073 7.351 3.447 959 HG11 VAL 127 HG11 VAL 127 7.033 5.398 4.563 960 HG12 VAL 127 HG12 VAL 127 5.373 5.097 4.046 961 HG13 VAL 127 HG13 VAL 127 5.722 5.432 5.742 962 HG21 VAL 127 HG21 VAL 127 4.074 7.370 5.699 963 HG22 VAL 127 HG22 VAL 127 3.726 6.936 4.026 964 HG23 VAL 127 HG23 VAL 127 4.223 8.581 4.425 965 H ASP 128 H ASP 128 8.400 8.792 3.709 966 HA ASP 128 HA ASP 128 10.415 6.877 3.809 967 HB2 ASP 128 HB2 ASP 128 10.426 8.409 1.996 968 HB3 ASP 128 HB3 ASP 128 10.428 9.802 3.068 969 H MET 129 H MET 129 10.349 10.035 5.455 970 HA MET 129 HA MET 129 12.746 9.719 6.876 971 HB2 MET 129 HB2 MET 129 11.687 11.887 6.566 972 HB3 MET 129 HB3 MET 129 10.299 11.377 7.517 973 HG2 MET 129 HG2 MET 129 11.723 11.210 9.498 974 HG3 MET 129 HG3 MET 129 13.109 11.730 8.542 975 HE1 MET 129 HE1 MET 129 9.504 12.733 9.742 976 HE2 MET 129 HE2 MET 129 9.481 13.106 8.019 977 HE3 MET 129 HE3 MET 129 9.416 14.411 9.206 978 H LYS 130 H LYS 130 9.423 8.871 7.708 979 HA LYS 130 HA LYS 130 10.009 8.085 10.379 980 HB2 LYS 130 HB2 LYS 130 7.686 8.105 8.628 981 HB3 LYS 130 HB3 LYS 130 7.750 6.648 9.610 982 HG2 LYS 130 HG2 LYS 130 6.457 8.484 10.646 983 HG3 LYS 130 HG3 LYS 130 7.816 7.944 11.633 984 HD2 LYS 130 HD2 LYS 130 9.144 9.843 10.638 985 HD3 LYS 130 HD3 LYS 130 7.629 10.434 9.952 986 HE2 LYS 130 HE2 LYS 130 6.669 10.639 12.164 987 HE3 LYS 130 HE3 LYS 130 8.123 9.950 12.886 988 HZ1 LYS 130 HZ1 LYS 130 9.356 11.870 11.907 989 HZ2 LYS 130 HZ2 LYS 130 8.254 12.285 13.127 990 HZ3 LYS 130 HZ3 LYS 130 7.855 12.560 11.500 991 H ALA 131 H ALA 131 9.735 6.313 7.323 992 HA ALA 131 HA ALA 131 10.094 3.727 8.358 993 HB1 ALA 131 HB1 ALA 131 10.900 4.799 5.652 994 HB2 ALA 131 HB2 ALA 131 9.320 4.142 6.078 995 HB3 ALA 131 HB3 ALA 131 10.740 3.097 6.084 996 H LYS 132 H LYS 132 12.434 6.095 7.140 997 HA LYS 132 HA LYS 132 14.761 4.604 7.479 998 HB2 LYS 132 HB2 LYS 132 14.233 7.559 7.671 999 HB3 LYS 132 HB3 LYS 132 15.849 6.887 7.834 1000 HG2 LYS 132 HG2 LYS 132 15.838 6.075 5.619 1001 HG3 LYS 132 HG3 LYS 132 14.107 6.372 5.444 1002 HD2 LYS 132 HD2 LYS 132 14.447 8.738 5.515 1003 HD3 LYS 132 HD3 LYS 132 16.155 8.530 5.906 1004 HE2 LYS 132 HE2 LYS 132 16.659 7.733 3.757 1005 HE3 LYS 132 HE3 LYS 132 14.963 7.423 3.387 1006 HZ1 LYS 132 HZ1 LYS 132 15.910 9.427 2.305 1007 HZ2 LYS 132 HZ2 LYS 132 16.071 10.137 3.837 1008 HZ3 LYS 132 HZ3 LYS 132 14.531 9.725 3.246 1009 H SER 133 H SER 133 13.000 6.602 9.804 1010 HA SER 133 HA SER 133 14.886 6.381 11.893 1011 HB2 SER 133 HB2 SER 133 11.903 6.849 12.096 1012 HB3 SER 133 HB3 SER 133 13.112 7.245 13.317 1013 HG SER 133 HG SER 133 12.706 8.431 10.772 1014 H ALA 134 H ALA 134 12.017 4.480 11.039 1015 HA ALA 134 HA ALA 134 12.144 2.813 13.352 1016 HB1 ALA 134 HB1 ALA 134 10.708 2.316 10.749 1017 HB2 ALA 134 HB2 ALA 134 10.065 3.245 12.103 1018 HB3 ALA 134 HB3 ALA 134 10.399 1.525 12.296 1019 H LEU 135 H LEU 135 13.337 2.538 10.042 1020 HA LEU 135 HA LEU 135 14.096 -0.228 10.362 1021 HB2 LEU 135 HB2 LEU 135 14.573 1.769 8.147 1022 HB3 LEU 135 HB3 LEU 135 15.130 0.108 8.091 1023 HG LEU 135 HG LEU 135 12.231 0.917 8.322 1024 HD11 LEU 135 HD11 LEU 135 13.809 0.015 5.918 1025 HD12 LEU 135 HD12 LEU 135 13.140 1.625 6.183 1026 HD13 LEU 135 HD13 LEU 135 12.060 0.247 5.972 1027 HD21 LEU 135 HD21 LEU 135 11.795 -1.415 7.767 1028 HD22 LEU 135 HD22 LEU 135 12.747 -1.289 9.246 1029 HD23 LEU 135 HD23 LEU 135 13.529 -1.740 7.730 1030 H GLY 136 H GLY 136 15.493 2.831 10.975 1031 HA2 GLY 136 HA2 GLY 136 17.457 3.152 12.208 1032 HA3 GLY 136 HA3 GLY 136 17.898 1.487 11.872 1033 H ILE 137 H ILE 137 16.905 3.581 9.305 1034 HA ILE 137 HA ILE 137 19.181 3.045 7.748 1035 HB ILE 137 HB ILE 137 17.186 5.296 7.453 1036 HG12 ILE 137 HG12 ILE 137 16.157 3.060 7.405 1037 HG13 ILE 137 HG13 ILE 137 16.088 3.832 5.825 1038 HG21 ILE 137 HG21 ILE 137 19.218 5.777 6.221 1039 HG22 ILE 137 HG22 ILE 137 17.911 5.370 5.107 1040 HG23 ILE 137 HG23 ILE 137 19.167 4.184 5.466 1041 HD11 ILE 137 HD11 ILE 137 17.990 2.482 5.092 1042 HD12 ILE 137 HD12 ILE 137 16.639 1.482 5.625 1043 HD13 ILE 137 HD13 ILE 137 18.040 1.703 6.674 1044 H ARG 138 H ARG 138 21.137 3.678 8.180 1045 HA ARG 138 HA ARG 138 21.665 6.177 9.556 1046 HB2 ARG 138 HB2 ARG 138 23.976 5.425 9.688 1047 HB3 ARG 138 HB3 ARG 138 22.890 4.174 10.264 1048 HG2 ARG 138 HG2 ARG 138 24.126 4.212 7.515 1049 HG3 ARG 138 HG3 ARG 138 24.785 3.337 8.899 1050 HD2 ARG 138 HD2 ARG 138 22.581 2.143 9.059 1051 HD3 ARG 138 HD3 ARG 138 22.142 2.889 7.525 1052 HE ARG 138 HE ARG 138 24.218 0.853 7.950 1053 HH11 ARG 138 HH11 ARG 138 22.303 2.790 5.732 1054 HH12 ARG 138 HH12 ARG 138 22.680 1.805 4.350 1055 HH21 ARG 138 HH21 ARG 138 24.712 -0.421 6.159 1056 HH22 ARG 138 HH22 ARG 138 24.067 -0.024 4.593 1057 H ASP 139 H ASP 139 23.617 7.452 8.704 1058 HA ASP 139 HA ASP 139 22.851 8.703 6.339 1059 HB2 ASP 139 HB2 ASP 139 25.556 8.709 7.696 1060 HB3 ASP 139 HB3 ASP 139 25.087 9.812 6.405 1061 H LEU 140 H LEU 140 23.250 8.402 4.239 1062 HA LEU 140 HA LEU 140 24.451 5.963 3.364 1063 HB2 LEU 140 HB2 LEU 140 23.582 8.376 1.764 1064 HB3 LEU 140 HB3 LEU 140 23.976 6.802 1.099 1065 HG LEU 140 HG LEU 140 21.663 7.392 2.952 1066 HD11 LEU 140 HD11 LEU 140 21.355 8.345 0.728 1067 HD12 LEU 140 HD12 LEU 140 20.269 6.982 0.997 1068 HD13 LEU 140 HD13 LEU 140 21.709 6.777 0.002 1069 HD21 LEU 140 HD21 LEU 140 20.961 5.102 2.431 1070 HD22 LEU 140 HD22 LEU 140 22.518 5.137 3.258 1071 HD23 LEU 140 HD23 LEU 140 22.451 4.858 1.518 1072 H GLU 141 H GLU 141 25.536 9.202 3.828 1073 HA GLU 141 HA GLU 141 27.988 8.759 2.310 1074 HB2 GLU 141 HB2 GLU 141 26.996 11.156 3.852 1075 HB3 GLU 141 HB3 GLU 141 28.493 11.106 2.933 1076 HG2 GLU 141 HG2 GLU 141 27.289 10.808 0.879 1077 HG3 GLU 141 HG3 GLU 141 25.761 10.677 1.751 1078 H HIS 142 H HIS 142 27.268 7.342 4.896 1079 HA HIS 142 HA HIS 142 28.865 8.217 6.993 1080 HB2 HIS 142 HB2 HIS 142 28.840 5.931 7.838 1081 HB3 HIS 142 HB3 HIS 142 27.252 6.374 7.237 1082 HD1 HIS 142 HD1 HIS 142 29.747 3.764 7.062 1083 HD2 HIS 142 HD2 HIS 142 26.712 5.170 4.584 1084 HE1 HIS 142 HE1 HIS 142 29.292 1.911 5.423 1085 HE2 HIS 142 HE2 HIS 142 27.312 2.700 4.078 1086 H HIS 143 H HIS 143 30.954 8.256 7.404 1087 HA HIS 143 HA HIS 143 32.769 8.391 5.378 1088 HB2 HIS 143 HB2 HIS 143 34.554 8.184 7.190 1089 HB3 HIS 143 HB3 HIS 143 33.367 9.468 7.364 1090 HD1 HIS 143 HD1 HIS 143 32.454 9.686 9.632 1091 HD2 HIS 143 HD2 HIS 143 33.755 5.807 8.876 1092 HE1 HIS 143 HE1 HIS 143 32.106 8.423 11.776 1093 HE2 HIS 143 HE2 HIS 143 32.711 6.035 11.239 1094 H HIS 144 H HIS 144 33.901 7.137 4.195 1095 HA HIS 144 HA HIS 144 34.209 4.289 4.909 1096 HB2 HIS 144 HB2 HIS 144 32.966 4.719 2.812 1097 HB3 HIS 144 HB3 HIS 144 34.317 5.665 2.201 1098 HD1 HIS 144 HD1 HIS 144 33.088 2.191 2.589 1099 HD2 HIS 144 HD2 HIS 144 36.566 4.131 1.390 1100 HE1 HIS 144 HE1 HIS 144 34.473 0.444 1.414 1101 HE2 HIS 144 HE2 HIS 144 36.500 1.682 0.563 1102 H HIS 145 H HIS 145 36.253 3.561 5.262 1103 HA HIS 145 HA HIS 145 38.342 5.472 5.545 1104 HB2 HIS 145 HB2 HIS 145 38.013 3.366 6.930 1105 HB3 HIS 145 HB3 HIS 145 38.664 2.470 5.565 1106 HD1 HIS 145 HD1 HIS 145 39.649 4.533 8.463 1107 HD2 HIS 145 HD2 HIS 145 41.443 2.967 5.052 1108 HE1 HIS 145 HE1 HIS 145 42.129 4.710 8.856 1109 HE2 HIS 145 HE2 HIS 145 43.182 3.560 6.875 1110 H HIS 146 H HIS 146 39.143 6.381 3.779 1111 HA HIS 146 HA HIS 146 39.506 4.798 1.356 1112 HB2 HIS 146 HB2 HIS 146 38.625 7.334 1.696 1113 HB3 HIS 146 HB3 HIS 146 40.335 7.645 1.430 1114 HD1 HIS 146 HD1 HIS 146 37.768 8.237 -0.487 1115 HD2 HIS 146 HD2 HIS 146 40.722 5.349 -0.991 1116 HE1 HIS 146 HE1 HIS 146 37.793 7.711 -2.951 1117 HE2 HIS 146 HE2 HIS 146 39.514 5.889 -3.220 1118 H HIS 147 H HIS 147 41.351 3.852 0.947 1119 HA HIS 147 HA HIS 147 43.563 3.373 0.801 1120 HB2 HIS 147 HB2 HIS 147 43.739 5.778 0.079 1121 HB3 HIS 147 HB3 HIS 147 44.075 6.200 1.754 1122 HD1 HIS 147 HD1 HIS 147 46.440 5.779 2.619 1123 HD2 HIS 147 HD2 HIS 147 45.816 4.405 -1.251 1124 HE1 HIS 147 HE1 HIS 147 48.720 5.218 1.722 1125 HE2 HIS 147 HE2 HIS 147 48.328 4.636 -0.693 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -13.558 16.108 -1.424 2 H2 MET 1 H2 MET 1 -14.000 14.907 -0.315 3 H3 MET 1 H3 MET 1 -13.895 16.524 0.184 4 HA MET 1 HA MET 1 -16.179 15.890 -0.075 5 HB2 MET 1 HB2 MET 1 -15.126 17.788 -2.180 6 HB3 MET 1 HB3 MET 1 -16.833 17.616 -1.798 7 HG2 MET 1 HG2 MET 1 -15.959 19.539 -0.670 8 HG3 MET 1 HG3 MET 1 -16.356 18.304 0.520 9 HE1 MET 1 HE1 MET 1 -12.081 19.489 -0.758 10 HE2 MET 1 HE2 MET 1 -13.549 20.301 -1.297 11 HE3 MET 1 HE3 MET 1 -13.191 18.666 -1.855 12 H ASP 2 H ASP 2 -15.411 16.372 -3.490 13 HA ASP 2 HA ASP 2 -16.524 13.720 -4.058 14 HB2 ASP 2 HB2 ASP 2 -17.387 15.675 -5.365 15 HB3 ASP 2 HB3 ASP 2 -15.770 15.904 -6.022 16 H ASP 3 H ASP 3 -14.788 12.528 -3.305 17 HA ASP 3 HA ASP 3 -12.254 12.867 -4.763 18 HB2 ASP 3 HB2 ASP 3 -11.158 12.084 -2.593 19 HB3 ASP 3 HB3 ASP 3 -11.804 13.719 -2.610 20 H ARG 4 H ARG 4 -14.619 10.998 -5.013 21 HA ARG 4 HA ARG 4 -13.528 8.399 -4.360 22 HB2 ARG 4 HB2 ARG 4 -15.943 9.122 -6.031 23 HB3 ARG 4 HB3 ARG 4 -15.544 7.517 -5.439 24 HG2 ARG 4 HG2 ARG 4 -15.850 8.300 -3.136 25 HG3 ARG 4 HG3 ARG 4 -16.267 9.904 -3.751 26 HD2 ARG 4 HD2 ARG 4 -18.117 8.874 -5.034 27 HD3 ARG 4 HD3 ARG 4 -17.738 7.330 -4.280 28 HE ARG 4 HE ARG 4 -18.153 9.121 -2.212 29 HH11 ARG 4 HH11 ARG 4 -19.974 7.791 -4.897 30 HH12 ARG 4 HH12 ARG 4 -21.513 7.973 -4.105 31 HH21 ARG 4 HH21 ARG 4 -20.191 9.311 -1.158 32 HH22 ARG 4 HH22 ARG 4 -21.626 8.794 -1.988 33 H THR 5 H THR 5 -11.642 9.572 -5.887 34 HA THR 5 HA THR 5 -11.870 8.097 -8.402 35 HB THR 5 HB THR 5 -12.515 10.263 -9.115 36 HG1 THR 5 HG1 THR 5 -9.803 10.459 -9.789 37 HG21 THR 5 HG21 THR 5 -11.786 11.569 -7.194 38 HG22 THR 5 HG22 THR 5 -11.196 12.290 -8.692 39 HG23 THR 5 HG23 THR 5 -10.101 11.358 -7.672 40 H GLU 6 H GLU 6 -10.417 6.606 -7.717 41 HA GLU 6 HA GLU 6 -8.413 5.637 -7.294 42 HB2 GLU 6 HB2 GLU 6 -7.724 7.650 -9.425 43 HB3 GLU 6 HB3 GLU 6 -6.638 6.357 -8.924 44 HG2 GLU 6 HG2 GLU 6 -8.349 4.704 -9.533 45 HG3 GLU 6 HG3 GLU 6 -9.404 6.007 -10.069 46 H TYR 7 H TYR 7 -7.899 6.011 -5.223 47 HA TYR 7 HA TYR 7 -6.916 8.516 -4.282 48 HB2 TYR 7 HB2 TYR 7 -6.943 5.806 -2.931 49 HB3 TYR 7 HB3 TYR 7 -6.646 7.346 -2.133 50 HD1 TYR 7 HD1 TYR 7 -9.206 5.297 -3.837 51 HD2 TYR 7 HD2 TYR 7 -8.447 8.784 -1.518 52 HE1 TYR 7 HE1 TYR 7 -11.620 5.563 -3.455 53 HE2 TYR 7 HE2 TYR 7 -10.858 9.054 -1.132 54 HH TYR 7 HH TYR 7 -12.948 8.422 -2.072 55 H ASP 8 H ASP 8 -4.837 8.892 -3.311 56 HA ASP 8 HA ASP 8 -2.712 7.312 -4.582 57 HB2 ASP 8 HB2 ASP 8 -2.711 10.197 -3.670 58 HB3 ASP 8 HB3 ASP 8 -1.283 9.346 -4.252 59 H VAL 9 H VAL 9 -1.449 6.155 -3.319 60 HA VAL 9 HA VAL 9 -1.201 6.877 -0.481 61 HB VAL 9 HB VAL 9 -1.501 4.052 -1.531 62 HG11 VAL 9 HG11 VAL 9 -1.506 3.386 0.816 63 HG12 VAL 9 HG12 VAL 9 -1.227 5.060 1.298 64 HG13 VAL 9 HG13 VAL 9 0.004 4.190 0.384 65 HG21 VAL 9 HG21 VAL 9 -3.621 4.011 -0.308 66 HG22 VAL 9 HG22 VAL 9 -3.627 5.250 -1.562 67 HG23 VAL 9 HG23 VAL 9 -3.403 5.708 0.125 68 H TYR 10 H TYR 10 0.838 7.164 0.070 69 HA TYR 10 HA TYR 10 2.925 6.053 -1.667 70 HB2 TYR 10 HB2 TYR 10 2.997 8.332 0.315 71 HB3 TYR 10 HB3 TYR 10 4.410 7.729 -0.547 72 HD1 TYR 10 HD1 TYR 10 3.959 7.529 -3.210 73 HD2 TYR 10 HD2 TYR 10 2.007 10.221 -0.555 74 HE1 TYR 10 HE1 TYR 10 3.444 9.011 -5.101 75 HE2 TYR 10 HE2 TYR 10 1.490 11.711 -2.441 76 HH TYR 10 HH TYR 10 1.704 10.766 -5.636 77 H THR 11 H THR 11 4.478 4.717 -0.901 78 HA THR 11 HA THR 11 5.002 4.288 1.848 79 HB THR 11 HB THR 11 2.842 3.129 1.779 80 HG1 THR 11 HG1 THR 11 4.285 2.189 3.172 81 HG21 THR 11 HG21 THR 11 2.761 2.520 -0.578 82 HG22 THR 11 HG22 THR 11 2.553 1.090 0.434 83 HG23 THR 11 HG23 THR 11 4.102 1.396 -0.351 84 H ASP 12 H ASP 12 6.810 2.958 2.157 85 HA ASP 12 HA ASP 12 7.972 1.731 -0.242 86 HB2 ASP 12 HB2 ASP 12 9.195 3.801 -0.009 87 HB3 ASP 12 HB3 ASP 12 9.431 3.523 1.715 88 H GLY 13 H GLY 13 9.104 -0.142 0.100 89 HA2 GLY 13 HA2 GLY 13 8.611 -1.464 2.630 90 HA3 GLY 13 HA3 GLY 13 9.346 -2.179 1.198 91 H SER 14 H SER 14 9.985 0.153 3.791 92 HA SER 14 HA SER 14 12.822 0.026 3.373 93 HB2 SER 14 HB2 SER 14 11.211 1.237 5.632 94 HB3 SER 14 HB3 SER 14 12.943 1.462 5.385 95 HG SER 14 HG SER 14 11.491 2.020 3.134 96 H TYR 15 H TYR 15 13.704 -1.917 3.740 97 HA TYR 15 HA TYR 15 13.746 -2.818 6.504 98 HB2 TYR 15 HB2 TYR 15 13.438 -5.171 5.900 99 HB3 TYR 15 HB3 TYR 15 12.024 -4.229 5.448 100 HD1 TYR 15 HD1 TYR 15 14.901 -6.130 4.207 101 HD2 TYR 15 HD2 TYR 15 11.445 -3.910 3.113 102 HE1 TYR 15 HE1 TYR 15 15.056 -7.031 1.924 103 HE2 TYR 15 HE2 TYR 15 11.587 -4.804 0.829 104 HH TYR 15 HH TYR 15 13.677 -7.407 -0.013 105 H VAL 16 H VAL 16 15.684 -3.761 7.097 106 HA VAL 16 HA VAL 16 17.630 -4.654 5.237 107 HB VAL 16 HB VAL 16 17.882 -2.227 4.828 108 HG11 VAL 16 HG11 VAL 16 18.698 -2.068 7.725 109 HG12 VAL 16 HG12 VAL 16 17.207 -1.420 7.041 110 HG13 VAL 16 HG13 VAL 16 18.766 -0.755 6.550 111 HG21 VAL 16 HG21 VAL 16 20.232 -3.474 6.257 112 HG22 VAL 16 HG22 VAL 16 20.309 -2.115 5.134 113 HG23 VAL 16 HG23 VAL 16 19.808 -3.706 4.561 114 H ASN 17 H ASN 17 19.068 -5.935 6.231 115 HA ASN 17 HA ASN 17 20.362 -6.917 7.817 116 HB2 ASN 17 HB2 ASN 17 20.944 -4.418 8.167 117 HB3 ASN 17 HB3 ASN 17 19.941 -4.538 9.610 118 HD21 ASN 17 HD21 ASN 17 22.156 -6.849 8.132 119 HD22 ASN 17 HD22 ASN 17 23.187 -7.013 9.515 120 H GLY 18 H GLY 18 17.429 -7.203 7.841 121 HA2 GLY 18 HA2 GLY 18 16.156 -8.707 9.125 122 HA3 GLY 18 HA3 GLY 18 17.235 -8.423 10.483 123 H GLN 19 H GLN 19 16.839 -5.437 9.711 124 HA GLN 19 HA GLN 19 14.584 -5.036 11.498 125 HB2 GLN 19 HB2 GLN 19 16.828 -3.359 10.489 126 HB3 GLN 19 HB3 GLN 19 15.354 -2.540 10.985 127 HG2 GLN 19 HG2 GLN 19 16.806 -4.494 12.748 128 HG3 GLN 19 HG3 GLN 19 17.148 -2.763 12.733 129 HE21 GLN 19 HE21 GLN 19 16.497 -2.506 14.855 130 HE22 GLN 19 HE22 GLN 19 14.828 -2.534 15.319 131 H TYR 20 H TYR 20 12.703 -4.049 10.967 132 HA TYR 20 HA TYR 20 12.292 -3.066 8.266 133 HB2 TYR 20 HB2 TYR 20 10.207 -4.509 8.048 134 HB3 TYR 20 HB3 TYR 20 11.747 -5.339 7.856 135 HD1 TYR 20 HD1 TYR 20 8.829 -4.881 10.063 136 HD2 TYR 20 HD2 TYR 20 12.473 -6.985 9.447 137 HE1 TYR 20 HE1 TYR 20 8.195 -6.485 11.818 138 HE2 TYR 20 HE2 TYR 20 11.849 -8.587 11.196 139 HH TYR 20 HH TYR 20 10.448 -8.812 13.064 140 H ALA 21 H ALA 21 10.734 -1.541 8.125 141 HA ALA 21 HA ALA 21 9.067 -1.073 10.508 142 HB1 ALA 21 HB1 ALA 21 9.346 1.339 10.182 143 HB2 ALA 21 HB2 ALA 21 10.462 1.031 8.851 144 HB3 ALA 21 HB3 ALA 21 10.891 0.547 10.492 145 H TRP 22 H TRP 22 7.029 -0.041 10.070 146 HA TRP 22 HA TRP 22 6.247 -0.257 7.244 147 HB2 TRP 22 HB2 TRP 22 3.909 -0.650 8.070 148 HB3 TRP 22 HB3 TRP 22 5.042 -1.939 8.445 149 HD1 TRP 22 HD1 TRP 22 5.900 -2.037 11.074 150 HE1 TRP 22 HE1 TRP 22 4.612 -1.458 13.224 151 HE3 TRP 22 HE3 TRP 22 2.189 0.836 9.044 152 HZ2 TRP 22 HZ2 TRP 22 2.318 0.027 13.962 153 HZ3 TRP 22 HZ3 TRP 22 0.489 1.799 10.537 154 HH2 TRP 22 HH2 TRP 22 0.550 1.406 12.943 155 H ALA 23 H ALA 23 5.441 1.468 6.274 156 HA ALA 23 HA ALA 23 4.537 3.754 7.838 157 HB1 ALA 23 HB1 ALA 23 6.044 5.288 6.693 158 HB2 ALA 23 HB2 ALA 23 6.782 3.940 5.829 159 HB3 ALA 23 HB3 ALA 23 6.960 4.070 7.578 160 H TYR 24 H TYR 24 2.965 4.878 6.810 161 HA TYR 24 HA TYR 24 2.590 4.526 3.937 162 HB2 TYR 24 HB2 TYR 24 0.489 3.888 6.020 163 HB3 TYR 24 HB3 TYR 24 0.121 4.139 4.319 164 HD1 TYR 24 HD1 TYR 24 0.769 2.483 2.652 165 HD2 TYR 24 HD2 TYR 24 1.579 1.860 6.780 166 HE1 TYR 24 HE1 TYR 24 1.195 0.103 2.206 167 HE2 TYR 24 HE2 TYR 24 2.009 -0.520 6.342 168 HH TYR 24 HH TYR 24 2.395 -1.767 3.193 169 H ALA 25 H ALA 25 1.837 6.295 2.943 170 HA ALA 25 HA ALA 25 0.819 8.486 4.635 171 HB1 ALA 25 HB1 ALA 25 1.757 10.067 3.047 172 HB2 ALA 25 HB2 ALA 25 2.366 8.742 2.054 173 HB3 ALA 25 HB3 ALA 25 3.020 9.007 3.672 174 H PHE 26 H PHE 26 -1.315 8.433 4.406 175 HA PHE 26 HA PHE 26 -2.501 7.741 1.833 176 HB2 PHE 26 HB2 PHE 26 -3.786 8.281 4.521 177 HB3 PHE 26 HB3 PHE 26 -4.651 7.781 3.070 178 HD1 PHE 26 HD2 PHE 26 -4.326 5.529 2.153 179 HD2 PHE 26 HD1 PHE 26 -2.560 6.713 5.838 180 HE1 PHE 26 HE2 PHE 26 -3.944 3.168 2.723 181 HE2 PHE 26 HE1 PHE 26 -2.175 4.353 6.416 182 HZ PHE 26 HZ PHE 26 -2.870 2.575 4.858 183 H VAL 27 H VAL 27 -2.369 9.425 0.466 184 HA VAL 27 HA VAL 27 -3.104 12.081 1.483 185 HB VAL 27 HB VAL 27 -0.882 12.129 0.619 186 HG11 VAL 27 HG11 VAL 27 -0.959 10.086 -0.712 187 HG12 VAL 27 HG12 VAL 27 -0.284 11.432 -1.632 188 HG13 VAL 27 HG13 VAL 27 -1.943 10.909 -1.921 189 HG21 VAL 27 HG21 VAL 27 -2.783 13.288 -1.408 190 HG22 VAL 27 HG22 VAL 27 -1.075 13.703 -1.271 191 HG23 VAL 27 HG23 VAL 27 -2.184 14.078 0.050 192 H LYS 28 H LYS 28 -4.944 12.942 0.869 193 HA LYS 28 HA LYS 28 -6.125 12.127 -1.695 194 HB2 LYS 28 HB2 LYS 28 -7.211 10.922 0.216 195 HB3 LYS 28 HB3 LYS 28 -7.688 12.484 0.867 196 HG2 LYS 28 HG2 LYS 28 -9.053 12.926 -1.060 197 HG3 LYS 28 HG3 LYS 28 -8.491 11.448 -1.840 198 HD2 LYS 28 HD2 LYS 28 -10.676 11.064 -0.918 199 HD3 LYS 28 HD3 LYS 28 -9.495 10.149 0.015 200 HE2 LYS 28 HE2 LYS 28 -9.603 11.665 1.819 201 HE3 LYS 28 HE3 LYS 28 -10.460 12.868 0.854 202 HZ1 LYS 28 HZ1 LYS 28 -12.002 11.785 2.315 203 HZ2 LYS 28 HZ2 LYS 28 -11.532 10.250 1.778 204 HZ3 LYS 28 HZ3 LYS 28 -12.343 11.299 0.724 205 H ASP 29 H ASP 29 -6.804 13.778 -2.897 206 HA ASP 29 HA ASP 29 -7.310 15.871 -3.610 207 HB2 ASP 29 HB2 ASP 29 -7.878 16.454 -0.696 208 HB3 ASP 29 HB3 ASP 29 -8.244 17.539 -2.030 209 H GLY 30 H GLY 30 -4.662 15.023 -2.198 210 HA2 GLY 30 HA2 GLY 30 -2.580 16.131 -2.416 211 HA3 GLY 30 HA3 GLY 30 -3.428 17.674 -2.395 212 H LYS 31 H LYS 31 -4.771 15.820 -0.028 213 HA LYS 31 HA LYS 31 -2.984 16.956 2.019 214 HB2 LYS 31 HB2 LYS 31 -5.884 16.227 2.367 215 HB3 LYS 31 HB3 LYS 31 -4.872 17.116 3.489 216 HG2 LYS 31 HG2 LYS 31 -5.770 18.071 0.780 217 HG3 LYS 31 HG3 LYS 31 -6.407 18.601 2.339 218 HD2 LYS 31 HD2 LYS 31 -4.249 19.525 2.939 219 HD3 LYS 31 HD3 LYS 31 -3.547 18.920 1.436 220 HE2 LYS 31 HE2 LYS 31 -5.074 20.351 0.162 221 HE3 LYS 31 HE3 LYS 31 -5.746 20.970 1.670 222 HZ1 LYS 31 HZ1 LYS 31 -2.932 21.259 0.763 223 HZ2 LYS 31 HZ2 LYS 31 -3.545 21.815 2.244 224 HZ3 LYS 31 HZ3 LYS 31 -4.104 22.482 0.792 225 H VAL 32 H VAL 32 -1.967 15.576 3.295 226 HA VAL 32 HA VAL 32 -2.549 12.742 3.082 227 HB VAL 32 HB VAL 32 -0.224 13.355 2.973 228 HG11 VAL 32 HG11 VAL 32 -0.575 14.599 5.696 229 HG12 VAL 32 HG12 VAL 32 -0.237 15.444 4.185 230 HG13 VAL 32 HG13 VAL 32 0.969 14.359 4.879 231 HG21 VAL 32 HG21 VAL 32 -0.830 12.006 5.599 232 HG22 VAL 32 HG22 VAL 32 0.707 11.935 4.733 233 HG23 VAL 32 HG23 VAL 32 -0.741 11.225 4.020 234 H HIS 33 H HIS 33 -4.133 11.963 4.272 235 HA HIS 33 HA HIS 33 -5.027 13.342 6.641 236 HB2 HIS 33 HB2 HIS 33 -6.364 11.918 4.795 237 HB3 HIS 33 HB3 HIS 33 -6.109 10.650 5.987 238 HD1 HIS 33 HD1 HIS 33 -6.990 11.393 8.540 239 HD2 HIS 33 HD2 HIS 33 -8.543 13.426 5.254 240 HE1 HIS 33 HE1 HIS 33 -9.130 12.444 9.335 241 HE2 HIS 33 HE2 HIS 33 -10.116 13.566 7.302 242 H TYR 34 H TYR 34 -3.509 10.231 5.909 243 HA TYR 34 HA TYR 34 -2.864 9.967 8.775 244 HB2 TYR 34 HB2 TYR 34 -3.455 7.761 6.789 245 HB3 TYR 34 HB3 TYR 34 -2.850 7.498 8.418 246 HD1 TYR 34 HD2 TYR 34 -5.763 8.569 6.430 247 HD2 TYR 34 HD1 TYR 34 -4.299 7.640 10.317 248 HE1 TYR 34 HE2 TYR 34 -8.071 8.495 7.277 249 HE2 TYR 34 HE1 TYR 34 -6.602 7.558 11.171 250 HH TYR 34 HH TYR 34 -8.788 8.342 10.650 251 H GLU 35 H GLU 35 -0.784 9.499 9.282 252 HA GLU 35 HA GLU 35 1.136 8.584 7.357 253 HB2 GLU 35 HB2 GLU 35 1.020 10.946 6.712 254 HB3 GLU 35 HB3 GLU 35 1.284 11.433 8.378 255 HG2 GLU 35 HG2 GLU 35 3.520 10.406 8.300 256 HG3 GLU 35 HG3 GLU 35 3.253 10.005 6.603 257 H ASP 36 H ASP 36 2.400 7.267 8.516 258 HA ASP 36 HA ASP 36 3.664 8.106 10.935 259 HB2 ASP 36 HB2 ASP 36 1.284 7.397 11.639 260 HB3 ASP 36 HB3 ASP 36 1.799 5.758 11.262 261 H ALA 37 H ALA 37 5.203 6.507 11.709 262 HA ALA 37 HA ALA 37 5.631 4.197 9.975 263 HB1 ALA 37 HB1 ALA 37 6.929 5.999 8.944 264 HB2 ALA 37 HB2 ALA 37 7.977 4.746 9.609 265 HB3 ALA 37 HB3 ALA 37 7.766 6.268 10.474 266 H ASP 38 H ASP 38 5.616 2.594 11.416 267 HA ASP 38 HA ASP 38 7.064 2.989 13.955 268 HB2 ASP 38 HB2 ASP 38 4.440 2.581 13.837 269 HB3 ASP 38 HB3 ASP 38 4.941 0.901 13.683 270 H VAL 39 H VAL 39 8.333 1.216 14.717 271 HA VAL 39 HA VAL 39 9.289 -0.453 12.530 272 HB VAL 39 HB VAL 39 11.180 -0.971 14.063 273 HG11 VAL 39 HG11 VAL 39 10.676 1.959 13.573 274 HG12 VAL 39 HG12 VAL 39 11.334 0.813 12.406 275 HG13 VAL 39 HG13 VAL 39 12.250 1.214 13.861 276 HG21 VAL 39 HG21 VAL 39 10.086 -0.638 16.197 277 HG22 VAL 39 HG22 VAL 39 9.863 1.074 15.839 278 HG23 VAL 39 HG23 VAL 39 11.487 0.425 16.066 279 H GLY 40 H GLY 40 9.192 -2.637 12.497 280 HA2 GLY 40 HA2 GLY 40 8.784 -4.791 13.313 281 HA3 GLY 40 HA3 GLY 40 8.283 -4.095 14.847 282 H LYS 41 H LYS 41 7.257 -5.510 11.983 283 HA LYS 41 HA LYS 41 4.561 -4.412 12.120 284 HB2 LYS 41 HB2 LYS 41 5.645 -6.509 10.233 285 HB3 LYS 41 HB3 LYS 41 4.133 -5.628 10.074 286 HG2 LYS 41 HG2 LYS 41 5.420 -3.536 9.816 287 HG3 LYS 41 HG3 LYS 41 6.910 -4.482 9.868 288 HD2 LYS 41 HD2 LYS 41 6.055 -5.780 7.907 289 HD3 LYS 41 HD3 LYS 41 4.710 -4.641 7.812 290 HE2 LYS 41 HE2 LYS 41 6.335 -2.801 7.546 291 HE3 LYS 41 HE3 LYS 41 7.642 -3.984 7.550 292 HZ1 LYS 41 HZ1 LYS 41 5.516 -3.604 5.522 293 HZ2 LYS 41 HZ2 LYS 41 6.422 -5.034 5.606 294 HZ3 LYS 41 HZ3 LYS 41 7.198 -3.559 5.302 295 H ASN 42 H ASN 42 3.590 -5.247 13.906 296 HA ASN 42 HA ASN 42 3.359 -8.172 14.071 297 HB2 ASN 42 HB2 ASN 42 4.085 -6.268 16.301 298 HB3 ASN 42 HB3 ASN 42 3.506 -7.903 16.590 299 HD21 ASN 42 HD21 ASN 42 6.111 -6.423 17.007 300 HD22 ASN 42 HD22 ASN 42 7.311 -7.494 16.349 301 HA PRO 43 HA PRO 43 -0.962 -7.362 14.518 302 HB2 PRO 43 HB2 PRO 43 -1.695 -9.617 15.880 303 HB3 PRO 43 HB3 PRO 43 -1.349 -9.593 14.148 304 HG2 PRO 43 HG2 PRO 43 0.410 -10.421 16.422 305 HG3 PRO 43 HG3 PRO 43 0.187 -11.193 14.839 306 HD2 PRO 43 HD2 PRO 43 2.325 -9.645 15.381 307 HD3 PRO 43 HD3 PRO 43 1.584 -9.693 13.770 308 H ALA 44 H ALA 44 1.167 -7.645 17.160 309 HA ALA 44 HA ALA 44 -0.544 -7.428 19.363 310 HB1 ALA 44 HB1 ALA 44 1.821 -7.944 19.595 311 HB2 ALA 44 HB2 ALA 44 1.402 -6.528 20.560 312 HB3 ALA 44 HB3 ALA 44 2.248 -6.332 19.025 313 H ALA 45 H ALA 45 0.360 -5.113 16.961 314 HA ALA 45 HA ALA 45 -0.181 -2.717 18.326 315 HB1 ALA 45 HB1 ALA 45 0.947 -2.770 16.168 316 HB2 ALA 45 HB2 ALA 45 -0.478 -1.734 16.103 317 HB3 ALA 45 HB3 ALA 45 -0.531 -3.349 15.396 318 H ALA 46 H ALA 46 -2.279 -5.135 16.958 319 HA ALA 46 HA ALA 46 -4.637 -3.479 16.960 320 HB1 ALA 46 HB1 ALA 46 -4.405 -5.353 15.395 321 HB2 ALA 46 HB2 ALA 46 -5.835 -5.528 16.412 322 HB3 ALA 46 HB3 ALA 46 -4.389 -6.480 16.752 323 H THR 47 H THR 47 -3.049 -5.672 19.152 324 HA THR 47 HA THR 47 -5.277 -5.873 20.956 325 HB THR 47 HB THR 47 -2.393 -6.523 21.576 326 HG1 THR 47 HG1 THR 47 -4.187 -7.752 19.833 327 HG21 THR 47 HG21 THR 47 -5.006 -7.668 22.578 328 HG22 THR 47 HG22 THR 47 -3.942 -6.584 23.474 329 HG23 THR 47 HG23 THR 47 -3.398 -8.208 23.056 330 H MET 48 H MET 48 -2.208 -4.107 20.841 331 HA MET 48 HA MET 48 -2.664 -2.855 23.390 332 HB2 MET 48 HB2 MET 48 -0.391 -3.379 22.634 333 HB3 MET 48 HB3 MET 48 -0.583 -2.288 21.267 334 HG2 MET 48 HG2 MET 48 -0.868 -0.414 22.860 335 HG3 MET 48 HG3 MET 48 -0.549 -1.533 24.184 336 HE1 MET 48 HE1 MET 48 1.693 -3.411 22.988 337 HE2 MET 48 HE2 MET 48 1.779 -2.714 24.607 338 HE3 MET 48 HE3 MET 48 3.156 -2.576 23.512 339 H ARG 49 H ARG 49 -2.183 -1.440 20.131 340 HA ARG 49 HA ARG 49 -3.327 1.041 21.130 341 HB2 ARG 49 HB2 ARG 49 -2.149 0.470 18.408 342 HB3 ARG 49 HB3 ARG 49 -2.471 2.050 19.111 343 HG2 ARG 49 HG2 ARG 49 -0.484 0.052 20.167 344 HG3 ARG 49 HG3 ARG 49 -0.093 1.452 19.170 345 HD2 ARG 49 HD2 ARG 49 -1.564 1.741 21.767 346 HD3 ARG 49 HD3 ARG 49 0.194 1.640 21.720 347 HE ARG 49 HE ARG 49 -0.532 3.606 19.906 348 HH11 ARG 49 HH11 ARG 49 -0.965 3.055 23.334 349 HH12 ARG 49 HH12 ARG 49 -0.759 4.729 23.763 350 HH21 ARG 49 HH21 ARG 49 -0.288 5.785 20.432 351 HH22 ARG 49 HH22 ARG 49 -0.343 6.290 22.100 352 H ASN 50 H ASN 50 -4.307 -1.672 19.344 353 HA ASN 50 HA ASN 50 -6.329 -2.310 18.529 354 HB2 ASN 50 HB2 ASN 50 -7.149 -0.857 20.481 355 HB3 ASN 50 HB3 ASN 50 -7.459 0.385 19.275 356 HD21 ASN 50 HD21 ASN 50 -8.444 -2.651 20.581 357 HD22 ASN 50 HD22 ASN 50 -9.937 -2.781 19.715 358 H VAL 51 H VAL 51 -4.474 0.047 17.288 359 HA VAL 51 HA VAL 51 -5.997 1.416 15.411 360 HB VAL 51 HB VAL 51 -3.108 0.565 15.145 361 HG11 VAL 51 HG11 VAL 51 -2.879 2.480 13.638 362 HG12 VAL 51 HG12 VAL 51 -4.610 2.793 13.768 363 HG13 VAL 51 HG13 VAL 51 -4.038 1.306 13.013 364 HG21 VAL 51 HG21 VAL 51 -3.541 1.796 17.211 365 HG22 VAL 51 HG22 VAL 51 -4.297 3.093 16.285 366 HG23 VAL 51 HG23 VAL 51 -2.578 2.754 16.087 367 H ALA 52 H ALA 52 -4.386 -1.730 15.104 368 HA ALA 52 HA ALA 52 -4.784 -2.033 12.338 369 HB1 ALA 52 HB1 ALA 52 -4.276 -4.384 12.688 370 HB2 ALA 52 HB2 ALA 52 -4.497 -4.184 14.427 371 HB3 ALA 52 HB3 ALA 52 -3.172 -3.360 13.604 372 H GLY 53 H GLY 53 -6.954 -2.389 14.992 373 HA2 GLY 53 HA2 GLY 53 -8.845 -4.088 13.671 374 HA3 GLY 53 HA3 GLY 53 -9.126 -3.148 15.129 375 H GLU 54 H GLU 54 -8.707 -0.599 14.329 376 HA GLU 54 HA GLU 54 -11.197 -0.086 13.056 377 HB2 GLU 54 HB2 GLU 54 -10.587 2.304 13.348 378 HB3 GLU 54 HB3 GLU 54 -10.487 1.360 14.824 379 HG2 GLU 54 HG2 GLU 54 -8.051 1.219 14.552 380 HG3 GLU 54 HG3 GLU 54 -8.173 2.202 13.095 381 H ILE 55 H ILE 55 -7.850 0.039 11.962 382 HA ILE 55 HA ILE 55 -8.396 1.448 9.555 383 HB ILE 55 HB ILE 55 -6.196 0.658 8.802 384 HG12 ILE 55 HG12 ILE 55 -6.041 -0.747 11.467 385 HG13 ILE 55 HG13 ILE 55 -6.237 -1.555 9.915 386 HG21 ILE 55 HG21 ILE 55 -6.365 2.701 10.080 387 HG22 ILE 55 HG22 ILE 55 -4.883 1.848 10.509 388 HG23 ILE 55 HG23 ILE 55 -6.275 1.791 11.589 389 HD11 ILE 55 HD11 ILE 55 -3.934 -1.648 10.681 390 HD12 ILE 55 HD12 ILE 55 -3.876 0.115 10.750 391 HD13 ILE 55 HD13 ILE 55 -4.070 -0.700 9.198 392 H ALA 56 H ALA 56 -8.516 -1.881 10.485 393 HA ALA 56 HA ALA 56 -8.318 -3.227 8.090 394 HB1 ALA 56 HB1 ALA 56 -8.459 -4.340 10.254 395 HB2 ALA 56 HB2 ALA 56 -9.631 -5.002 9.115 396 HB3 ALA 56 HB3 ALA 56 -10.160 -3.892 10.379 397 H ALA 57 H ALA 57 -10.925 -1.215 9.187 398 HA ALA 57 HA ALA 57 -13.039 -2.128 7.608 399 HB1 ALA 57 HB1 ALA 57 -13.303 -0.457 9.374 400 HB2 ALA 57 HB2 ALA 57 -13.966 0.123 7.847 401 HB3 ALA 57 HB3 ALA 57 -12.402 0.714 8.409 402 H ALA 58 H ALA 58 -10.230 -0.213 6.778 403 HA ALA 58 HA ALA 58 -11.229 0.753 4.287 404 HB1 ALA 58 HB1 ALA 58 -9.441 1.895 5.491 405 HB2 ALA 58 HB2 ALA 58 -8.931 1.445 3.863 406 HB3 ALA 58 HB3 ALA 58 -8.383 0.503 5.249 407 H LEU 59 H LEU 59 -9.795 -2.214 5.319 408 HA LEU 59 HA LEU 59 -8.683 -3.085 2.878 409 HB2 LEU 59 HB2 LEU 59 -8.258 -4.087 5.135 410 HB3 LEU 59 HB3 LEU 59 -9.865 -4.780 5.091 411 HG LEU 59 HG LEU 59 -7.890 -5.442 2.928 412 HD11 LEU 59 HD11 LEU 59 -7.147 -7.358 4.256 413 HD12 LEU 59 HD12 LEU 59 -8.086 -6.771 5.630 414 HD13 LEU 59 HD13 LEU 59 -6.718 -5.832 5.033 415 HD21 LEU 59 HD21 LEU 59 -10.158 -6.971 4.206 416 HD22 LEU 59 HD22 LEU 59 -9.154 -7.533 2.870 417 HD23 LEU 59 HD23 LEU 59 -10.218 -6.144 2.650 418 H TYR 60 H TYR 60 -11.920 -3.370 4.265 419 HA TYR 60 HA TYR 60 -12.883 -5.009 2.131 420 HB2 TYR 60 HB2 TYR 60 -13.897 -4.079 4.648 421 HB3 TYR 60 HB3 TYR 60 -15.097 -3.804 3.385 422 HD1 TYR 60 HD2 TYR 60 -12.634 -6.491 4.209 423 HD2 TYR 60 HD1 TYR 60 -16.646 -5.510 3.190 424 HE1 TYR 60 HE2 TYR 60 -13.218 -8.875 4.240 425 HE2 TYR 60 HE1 TYR 60 -17.239 -7.899 3.201 426 HH TYR 60 HH TYR 60 -15.038 -10.326 4.383 427 H ALA 61 H ALA 61 -12.657 -1.585 2.674 428 HA ALA 61 HA ALA 61 -14.419 -0.752 0.624 429 HB1 ALA 61 HB1 ALA 61 -13.531 0.786 2.322 430 HB2 ALA 61 HB2 ALA 61 -13.209 1.365 0.688 431 HB3 ALA 61 HB3 ALA 61 -11.919 0.614 1.627 432 H VAL 62 H VAL 62 -10.977 -1.557 0.678 433 HA VAL 62 HA VAL 62 -10.522 -1.161 -2.098 434 HB VAL 62 HB VAL 62 -9.011 -2.897 -0.128 435 HG11 VAL 62 HG11 VAL 62 -7.150 -2.781 -1.681 436 HG12 VAL 62 HG12 VAL 62 -8.112 -1.815 -2.798 437 HG13 VAL 62 HG13 VAL 62 -8.558 -3.491 -2.476 438 HG21 VAL 62 HG21 VAL 62 -7.455 -0.995 0.010 439 HG22 VAL 62 HG22 VAL 62 -9.069 -0.580 0.586 440 HG23 VAL 62 HG23 VAL 62 -8.539 -0.050 -1.011 441 H LYS 63 H LYS 63 -11.561 -3.876 -0.134 442 HA LYS 63 HA LYS 63 -11.388 -5.937 -2.018 443 HB2 LYS 63 HB2 LYS 63 -11.889 -6.119 0.462 444 HB3 LYS 63 HB3 LYS 63 -13.536 -5.645 0.092 445 HG2 LYS 63 HG2 LYS 63 -12.262 -8.039 -1.189 446 HG3 LYS 63 HG3 LYS 63 -13.029 -8.128 0.394 447 HD2 LYS 63 HD2 LYS 63 -15.122 -7.265 -0.627 448 HD3 LYS 63 HD3 LYS 63 -14.336 -7.325 -2.208 449 HE2 LYS 63 HE2 LYS 63 -13.975 -9.743 -1.905 450 HE3 LYS 63 HE3 LYS 63 -14.828 -9.662 -0.364 451 HZ1 LYS 63 HZ1 LYS 63 -16.319 -10.420 -2.054 452 HZ2 LYS 63 HZ2 LYS 63 -15.955 -9.097 -3.053 453 HZ3 LYS 63 HZ3 LYS 63 -16.792 -8.854 -1.601 454 H LYS 64 H LYS 64 -14.000 -3.632 -1.347 455 HA LYS 64 HA LYS 64 -15.791 -4.730 -3.269 456 HB2 LYS 64 HB2 LYS 64 -16.509 -3.333 -1.330 457 HB3 LYS 64 HB3 LYS 64 -15.784 -1.935 -2.113 458 HG2 LYS 64 HG2 LYS 64 -17.311 -2.287 -4.036 459 HG3 LYS 64 HG3 LYS 64 -18.096 -3.573 -3.124 460 HD2 LYS 64 HD2 LYS 64 -17.874 -0.720 -2.179 461 HD3 LYS 64 HD3 LYS 64 -19.268 -1.369 -3.039 462 HE2 LYS 64 HE2 LYS 64 -19.919 -1.535 -0.827 463 HE3 LYS 64 HE3 LYS 64 -19.298 -3.150 -1.158 464 HZ1 LYS 64 HZ1 LYS 64 -17.264 -2.601 -0.050 465 HZ2 LYS 64 HZ2 LYS 64 -18.548 -2.213 0.979 466 HZ3 LYS 64 HZ3 LYS 64 -17.735 -0.983 0.143 467 H ALA 65 H ALA 65 -13.189 -2.447 -3.421 468 HA ALA 65 HA ALA 65 -13.895 -0.914 -5.629 469 HB1 ALA 65 HB1 ALA 65 -11.128 -1.777 -4.793 470 HB2 ALA 65 HB2 ALA 65 -12.014 -0.386 -4.168 471 HB3 ALA 65 HB3 ALA 65 -11.518 -0.426 -5.859 472 H SER 66 H SER 66 -12.449 -4.126 -5.523 473 HA SER 66 HA SER 66 -11.652 -4.346 -8.201 474 HB2 SER 66 HB2 SER 66 -11.831 -6.808 -7.824 475 HB3 SER 66 HB3 SER 66 -10.952 -5.974 -6.542 476 HG SER 66 HG SER 66 -12.587 -6.313 -5.168 477 H GLN 67 H GLN 67 -14.747 -4.848 -6.654 478 HA GLN 67 HA GLN 67 -16.053 -6.148 -8.797 479 HB2 GLN 67 HB2 GLN 67 -16.662 -5.956 -6.278 480 HB3 GLN 67 HB3 GLN 67 -17.456 -4.461 -6.746 481 HG2 GLN 67 HG2 GLN 67 -18.982 -5.595 -8.131 482 HG3 GLN 67 HG3 GLN 67 -18.056 -7.094 -8.050 483 HE21 GLN 67 HE21 GLN 67 -20.860 -6.524 -7.356 484 HE22 GLN 67 HE22 GLN 67 -21.036 -7.033 -5.709 485 H LEU 68 H LEU 68 -15.635 -2.788 -7.883 486 HA LEU 68 HA LEU 68 -17.404 -1.815 -9.958 487 HB2 LEU 68 HB2 LEU 68 -15.651 -0.478 -7.913 488 HB3 LEU 68 HB3 LEU 68 -16.382 0.442 -9.209 489 HG LEU 68 HG LEU 68 -18.627 -0.357 -8.396 490 HD11 LEU 68 HD11 LEU 68 -18.776 -1.207 -6.114 491 HD12 LEU 68 HD12 LEU 68 -17.016 -1.282 -6.023 492 HD13 LEU 68 HD13 LEU 68 -17.886 -2.317 -7.154 493 HD21 LEU 68 HD21 LEU 68 -17.772 1.864 -7.895 494 HD22 LEU 68 HD22 LEU 68 -16.945 1.234 -6.470 495 HD23 LEU 68 HD23 LEU 68 -18.707 1.224 -6.542 496 H GLY 69 H GLY 69 -14.044 -2.488 -9.532 497 HA2 GLY 69 HA2 GLY 69 -12.484 -2.699 -11.274 498 HA3 GLY 69 HA3 GLY 69 -13.546 -1.760 -12.314 499 H VAL 70 H VAL 70 -13.000 -0.517 -9.177 500 HA VAL 70 HA VAL 70 -11.310 1.589 -10.319 501 HB VAL 70 HB VAL 70 -11.855 2.891 -8.276 502 HG11 VAL 70 HG11 VAL 70 -14.222 1.889 -9.850 503 HG12 VAL 70 HG12 VAL 70 -13.158 3.228 -10.285 504 HG13 VAL 70 HG13 VAL 70 -14.198 3.354 -8.865 505 HG21 VAL 70 HG21 VAL 70 -12.286 1.096 -6.720 506 HG22 VAL 70 HG22 VAL 70 -13.673 0.565 -7.671 507 HG23 VAL 70 HG23 VAL 70 -13.715 2.123 -6.844 508 H LYS 71 H LYS 71 -9.538 2.417 -8.938 509 HA LYS 71 HA LYS 71 -8.336 0.495 -7.131 510 HB2 LYS 71 HB2 LYS 71 -6.331 0.192 -8.538 511 HB3 LYS 71 HB3 LYS 71 -7.773 -0.431 -9.332 512 HG2 LYS 71 HG2 LYS 71 -7.894 1.857 -10.479 513 HG3 LYS 71 HG3 LYS 71 -6.228 2.057 -9.941 514 HD2 LYS 71 HD2 LYS 71 -6.268 1.206 -12.204 515 HD3 LYS 71 HD3 LYS 71 -5.624 -0.023 -11.114 516 HE2 LYS 71 HE2 LYS 71 -7.646 -1.252 -11.159 517 HE3 LYS 71 HE3 LYS 71 -8.519 0.072 -11.929 518 HZ1 LYS 71 HZ1 LYS 71 -6.321 -1.486 -13.194 519 HZ2 LYS 71 HZ2 LYS 71 -7.240 -0.262 -13.929 520 HZ3 LYS 71 HZ3 LYS 71 -7.978 -1.721 -13.479 521 H ILE 72 H ILE 72 -5.949 1.322 -6.682 522 HA ILE 72 HA ILE 72 -5.959 4.271 -6.725 523 HB ILE 72 HB ILE 72 -4.539 4.299 -4.782 524 HG12 ILE 72 HG12 ILE 72 -4.681 1.277 -4.775 525 HG13 ILE 72 HG13 ILE 72 -3.280 2.215 -5.284 526 HG21 ILE 72 HG21 ILE 72 -6.860 2.431 -4.338 527 HG22 ILE 72 HG22 ILE 72 -6.943 4.192 -4.399 528 HG23 ILE 72 HG23 ILE 72 -6.053 3.394 -3.100 529 HD11 ILE 72 HD11 ILE 72 -4.496 2.248 -2.535 530 HD12 ILE 72 HD12 ILE 72 -3.064 3.136 -3.051 531 HD13 ILE 72 HD13 ILE 72 -3.041 1.373 -3.010 532 H ARG 73 H ARG 73 -3.359 4.885 -6.380 533 HA ARG 73 HA ARG 73 -1.951 3.315 -8.423 534 HB2 ARG 73 HB2 ARG 73 -3.036 5.449 -9.325 535 HB3 ARG 73 HB3 ARG 73 -1.838 6.323 -8.374 536 HG2 ARG 73 HG2 ARG 73 -0.046 5.368 -9.614 537 HG3 ARG 73 HG3 ARG 73 -1.135 4.252 -10.441 538 HD2 ARG 73 HD2 ARG 73 -2.310 6.306 -11.354 539 HD3 ARG 73 HD3 ARG 73 -0.941 7.237 -10.747 540 HE ARG 73 HE ARG 73 0.201 5.258 -12.242 541 HH11 ARG 73 HH11 ARG 73 -2.177 7.765 -12.851 542 HH12 ARG 73 HH12 ARG 73 -1.795 7.882 -14.547 543 HH21 ARG 73 HH21 ARG 73 0.692 5.421 -14.469 544 HH22 ARG 73 HH22 ARG 73 -0.178 6.547 -15.461 545 H ILE 74 H ILE 74 -0.117 2.597 -7.631 546 HA ILE 74 HA ILE 74 1.267 4.167 -5.583 547 HB ILE 74 HB ILE 74 0.905 1.881 -4.895 548 HG12 ILE 74 HG12 ILE 74 3.278 1.103 -4.613 549 HG13 ILE 74 HG13 ILE 74 3.771 2.412 -5.682 550 HG21 ILE 74 HG21 ILE 74 2.314 1.035 -7.419 551 HG22 ILE 74 HG22 ILE 74 0.595 0.841 -7.067 552 HG23 ILE 74 HG23 ILE 74 1.795 -0.036 -6.117 553 HD11 ILE 74 HD11 ILE 74 4.076 3.004 -3.348 554 HD12 ILE 74 HD12 ILE 74 2.359 2.731 -3.045 555 HD13 ILE 74 HD13 ILE 74 2.869 4.039 -4.112 556 H LEU 75 H LEU 75 2.734 5.505 -6.304 557 HA LEU 75 HA LEU 75 4.435 6.457 -7.435 558 HB2 LEU 75 HB2 LEU 75 5.071 3.577 -7.631 559 HB3 LEU 75 HB3 LEU 75 5.915 4.637 -8.742 560 HG LEU 75 HG LEU 75 7.250 4.245 -6.750 561 HD11 LEU 75 HD11 LEU 75 6.167 7.056 -6.858 562 HD12 LEU 75 HD12 LEU 75 7.466 6.399 -7.854 563 HD13 LEU 75 HD13 LEU 75 7.686 6.563 -6.113 564 HD21 LEU 75 HD21 LEU 75 4.946 5.466 -5.239 565 HD22 LEU 75 HD22 LEU 75 6.526 5.074 -4.560 566 HD23 LEU 75 HD23 LEU 75 5.477 3.787 -5.159 567 H HIS 76 H HIS 76 3.965 3.790 -9.747 568 HA HIS 76 HA HIS 76 2.966 5.745 -11.678 569 HB2 HIS 76 HB2 HIS 76 5.448 4.084 -12.012 570 HB3 HIS 76 HB3 HIS 76 4.525 4.622 -13.410 571 HD1 HIS 76 HD1 HIS 76 4.066 7.397 -13.305 572 HD2 HIS 76 HD2 HIS 76 7.399 5.838 -11.360 573 HE1 HIS 76 HE1 HIS 76 5.656 9.324 -13.033 574 HE2 HIS 76 HE2 HIS 76 7.727 8.329 -12.003 575 H ASP 77 H ASP 77 4.063 2.348 -11.956 576 HA ASP 77 HA ASP 77 1.346 1.661 -12.839 577 HB2 ASP 77 HB2 ASP 77 2.192 0.475 -14.775 578 HB3 ASP 77 HB3 ASP 77 2.766 2.139 -14.826 579 H TYR 78 H TYR 78 0.870 -0.594 -12.867 580 HA TYR 78 HA TYR 78 2.762 -2.492 -11.807 581 HB2 TYR 78 HB2 TYR 78 1.164 -3.289 -10.031 582 HB3 TYR 78 HB3 TYR 78 1.910 -1.734 -9.698 583 HD1 TYR 78 HD2 TYR 78 -1.227 -3.242 -11.056 584 HD2 TYR 78 HD1 TYR 78 0.576 0.086 -9.115 585 HE1 TYR 78 HE2 TYR 78 -3.451 -2.276 -10.662 586 HE2 TYR 78 HE1 TYR 78 -1.646 1.061 -8.713 587 HH TYR 78 HH TYR 78 -3.849 0.947 -9.332 588 H ALA 79 H ALA 79 1.346 -1.994 -14.260 589 HA ALA 79 HA ALA 79 -0.989 -3.652 -14.401 590 HB1 ALA 79 HB1 ALA 79 -1.049 -3.017 -16.747 591 HB2 ALA 79 HB2 ALA 79 0.563 -2.315 -16.613 592 HB3 ALA 79 HB3 ALA 79 -0.784 -1.605 -15.723 593 H GLY 80 H GLY 80 2.341 -4.259 -14.627 594 HA2 GLY 80 HA2 GLY 80 2.590 -6.147 -16.637 595 HA3 GLY 80 HA3 GLY 80 3.520 -6.164 -15.147 596 H ILE 81 H ILE 81 1.601 -6.720 -13.273 597 HA ILE 81 HA ILE 81 1.241 -9.528 -13.681 598 HB ILE 81 HB ILE 81 0.202 -9.528 -11.438 599 HG12 ILE 81 HG12 ILE 81 0.708 -6.543 -11.520 600 HG13 ILE 81 HG13 ILE 81 -0.878 -7.304 -11.581 601 HG21 ILE 81 HG21 ILE 81 2.791 -7.991 -11.635 602 HG22 ILE 81 HG22 ILE 81 2.613 -9.745 -11.664 603 HG23 ILE 81 HG23 ILE 81 2.208 -8.842 -10.205 604 HD11 ILE 81 HD11 ILE 81 -0.395 -6.457 -9.364 605 HD12 ILE 81 HD12 ILE 81 1.068 -7.439 -9.290 606 HD13 ILE 81 HD13 ILE 81 -0.515 -8.216 -9.342 607 H ALA 82 H ALA 82 -0.682 -6.771 -14.288 608 HA ALA 82 HA ALA 82 -3.230 -8.083 -13.976 609 HB1 ALA 82 HB1 ALA 82 -4.174 -5.998 -14.816 610 HB2 ALA 82 HB2 ALA 82 -2.559 -5.418 -15.216 611 HB3 ALA 82 HB3 ALA 82 -3.004 -5.693 -13.532 612 H PHE 83 H PHE 83 -0.894 -7.656 -16.455 613 HA PHE 83 HA PHE 83 -2.557 -7.853 -18.729 614 HB2 PHE 83 HB2 PHE 83 -0.179 -7.016 -18.664 615 HB3 PHE 83 HB3 PHE 83 0.341 -8.690 -18.518 616 HD1 PHE 83 HD2 PHE 83 -2.275 -7.108 -20.652 617 HD2 PHE 83 HD1 PHE 83 1.392 -9.261 -20.484 618 HE1 PHE 83 HE2 PHE 83 -2.287 -7.315 -23.103 619 HE2 PHE 83 HE1 PHE 83 1.383 -9.472 -22.933 620 HZ PHE 83 HZ PHE 83 -0.460 -8.496 -24.247 621 H TRP 84 H TRP 84 -1.453 -10.177 -16.464 622 HA TRP 84 HA TRP 84 -1.612 -12.517 -18.033 623 HB2 TRP 84 HB2 TRP 84 -1.892 -11.988 -15.084 624 HB3 TRP 84 HB3 TRP 84 -2.125 -13.602 -15.745 625 HD1 TRP 84 HD1 TRP 84 0.641 -10.877 -15.694 626 HE1 TRP 84 HE1 TRP 84 2.919 -12.076 -15.664 627 HE3 TRP 84 HE3 TRP 84 -0.984 -15.708 -16.027 628 HZ2 TRP 84 HZ2 TRP 84 3.895 -14.723 -15.756 629 HZ3 TRP 84 HZ3 TRP 84 0.683 -17.515 -16.041 630 HH2 TRP 84 HH2 TRP 84 3.074 -17.032 -15.909 631 H ALA 85 H ALA 85 -4.019 -10.627 -16.327 632 HA ALA 85 HA ALA 85 -6.084 -12.613 -16.514 633 HB1 ALA 85 HB1 ALA 85 -6.289 -9.689 -15.819 634 HB2 ALA 85 HB2 ALA 85 -6.015 -10.999 -14.672 635 HB3 ALA 85 HB3 ALA 85 -7.534 -10.910 -15.564 636 H THR 86 H THR 86 -5.025 -9.914 -18.460 637 HA THR 86 HA THR 86 -7.494 -9.781 -19.932 638 HB THR 86 HB THR 86 -6.184 -8.194 -21.419 639 HG1 THR 86 HG1 THR 86 -4.220 -7.417 -20.331 640 HG21 THR 86 HG21 THR 86 -6.212 -6.396 -19.743 641 HG22 THR 86 HG22 THR 86 -6.342 -7.599 -18.463 642 HG23 THR 86 HG23 THR 86 -7.651 -7.410 -19.628 643 H GLY 87 H GLY 87 -4.266 -11.142 -20.447 644 HA2 GLY 87 HA2 GLY 87 -4.900 -13.404 -21.648 645 HA3 GLY 87 HA3 GLY 87 -5.216 -12.290 -22.964 646 H GLU 88 H GLU 88 -2.533 -12.330 -20.585 647 HA GLU 88 HA GLU 88 -0.636 -12.302 -22.766 648 HB2 GLU 88 HB2 GLU 88 -0.045 -11.104 -20.726 649 HB3 GLU 88 HB3 GLU 88 -0.190 -12.585 -19.785 650 HG2 GLU 88 HG2 GLU 88 1.694 -13.555 -20.901 651 HG3 GLU 88 HG3 GLU 88 1.778 -12.205 -22.028 652 H TRP 89 H TRP 89 -1.705 -14.554 -20.286 653 HA TRP 89 HA TRP 89 -0.167 -16.721 -21.468 654 HB2 TRP 89 HB2 TRP 89 -0.341 -16.408 -18.981 655 HB3 TRP 89 HB3 TRP 89 -2.059 -16.763 -19.102 656 HD1 TRP 89 HD1 TRP 89 -2.720 -19.233 -18.842 657 HE1 TRP 89 HE1 TRP 89 -1.452 -21.476 -18.791 658 HE3 TRP 89 HE3 TRP 89 1.929 -17.553 -20.141 659 HZ2 TRP 89 HZ2 TRP 89 1.177 -22.405 -19.259 660 HZ3 TRP 89 HZ3 TRP 89 3.765 -19.183 -20.320 661 HH2 TRP 89 HH2 TRP 89 3.393 -21.554 -19.887 662 H LYS 90 H LYS 90 -1.024 -18.120 -22.893 663 HA LYS 90 HA LYS 90 -3.673 -17.647 -23.864 664 HB2 LYS 90 HB2 LYS 90 -1.718 -19.840 -24.564 665 HB3 LYS 90 HB3 LYS 90 -3.219 -19.516 -25.416 666 HG2 LYS 90 HG2 LYS 90 -2.259 -17.166 -25.799 667 HG3 LYS 90 HG3 LYS 90 -0.713 -17.882 -25.336 668 HD2 LYS 90 HD2 LYS 90 -2.509 -18.781 -27.588 669 HD3 LYS 90 HD3 LYS 90 -0.970 -17.935 -27.750 670 HE2 LYS 90 HE2 LYS 90 0.247 -19.800 -26.946 671 HE3 LYS 90 HE3 LYS 90 -1.217 -20.604 -26.382 672 HZ1 LYS 90 HZ1 LYS 90 -0.537 -20.076 -29.228 673 HZ2 LYS 90 HZ2 LYS 90 -1.915 -20.889 -28.664 674 HZ3 LYS 90 HZ3 LYS 90 -0.381 -21.571 -28.441 675 H ALA 91 H ALA 91 -5.490 -18.535 -23.235 676 HA ALA 91 HA ALA 91 -5.553 -20.484 -21.154 677 HB1 ALA 91 HB1 ALA 91 -7.253 -18.716 -21.402 678 HB2 ALA 91 HB2 ALA 91 -7.963 -20.329 -21.355 679 HB3 ALA 91 HB3 ALA 91 -7.805 -19.481 -22.892 680 H LYS 92 H LYS 92 -5.776 -22.650 -21.279 681 HA LYS 92 HA LYS 92 -5.379 -24.103 -23.620 682 HB2 LYS 92 HB2 LYS 92 -6.801 -24.950 -21.087 683 HB3 LYS 92 HB3 LYS 92 -6.274 -26.051 -22.353 684 HG2 LYS 92 HG2 LYS 92 -3.957 -25.439 -21.947 685 HG3 LYS 92 HG3 LYS 92 -4.469 -24.293 -20.704 686 HD2 LYS 92 HD2 LYS 92 -5.388 -26.098 -19.377 687 HD3 LYS 92 HD3 LYS 92 -4.987 -27.265 -20.639 688 HE2 LYS 92 HE2 LYS 92 -2.608 -26.775 -20.335 689 HE3 LYS 92 HE3 LYS 92 -3.008 -25.594 -19.089 690 HZ1 LYS 92 HZ1 LYS 92 -3.675 -28.485 -18.929 691 HZ2 LYS 92 HZ2 LYS 92 -3.876 -27.323 -17.709 692 HZ3 LYS 92 HZ3 LYS 92 -2.317 -27.770 -18.206 693 H ASN 93 H ASN 93 -8.416 -23.937 -21.809 694 HA ASN 93 HA ASN 93 -9.897 -23.366 -24.235 695 HB2 ASN 93 HB2 ASN 93 -10.187 -25.895 -22.653 696 HB3 ASN 93 HB3 ASN 93 -11.619 -25.176 -23.379 697 HD21 ASN 93 HD21 ASN 93 -10.127 -27.691 -23.920 698 HD22 ASN 93 HD22 ASN 93 -9.806 -27.649 -25.623 699 H GLU 94 H GLU 94 -11.189 -24.626 -21.209 700 HA GLU 94 HA GLU 94 -12.273 -21.951 -20.656 701 HB2 GLU 94 HB2 GLU 94 -13.351 -24.664 -20.443 702 HB3 GLU 94 HB3 GLU 94 -13.653 -23.669 -19.026 703 HG2 GLU 94 HG2 GLU 94 -14.251 -22.654 -21.778 704 HG3 GLU 94 HG3 GLU 94 -15.391 -23.688 -20.914 705 H PHE 95 H PHE 95 -10.375 -24.557 -19.337 706 HA PHE 95 HA PHE 95 -10.514 -24.098 -16.623 707 HB2 PHE 95 HB2 PHE 95 -8.094 -24.937 -18.229 708 HB3 PHE 95 HB3 PHE 95 -8.262 -25.114 -16.487 709 HD1 PHE 95 HD1 PHE 95 -9.989 -26.661 -15.577 710 HD2 PHE 95 HD2 PHE 95 -9.037 -26.497 -19.720 711 HE1 PHE 95 HE1 PHE 95 -11.029 -28.864 -15.896 712 HE2 PHE 95 HE2 PHE 95 -10.082 -28.702 -20.049 713 HZ PHE 95 HZ PHE 95 -11.077 -29.889 -18.134 714 H THR 96 H THR 96 -8.086 -22.728 -18.840 715 HA THR 96 HA THR 96 -6.846 -21.138 -16.859 716 HB THR 96 HB THR 96 -6.711 -20.446 -19.767 717 HG1 THR 96 HG1 THR 96 -5.395 -22.686 -18.554 718 HG21 THR 96 HG21 THR 96 -5.397 -19.155 -18.163 719 HG22 THR 96 HG22 THR 96 -4.344 -20.105 -19.212 720 HG23 THR 96 HG23 THR 96 -4.659 -20.639 -17.560 721 H GLN 97 H GLN 97 -9.388 -20.496 -19.238 722 HA GLN 97 HA GLN 97 -9.398 -17.693 -18.881 723 HB2 GLN 97 HB2 GLN 97 -11.105 -19.674 -20.260 724 HB3 GLN 97 HB3 GLN 97 -11.868 -18.158 -19.819 725 HG2 GLN 97 HG2 GLN 97 -10.137 -16.928 -21.020 726 HG3 GLN 97 HG3 GLN 97 -9.365 -18.451 -21.456 727 HE21 GLN 97 HE21 GLN 97 -12.092 -16.357 -21.998 728 HE22 GLN 97 HE22 GLN 97 -12.621 -17.103 -23.467 729 H ALA 98 H ALA 98 -11.064 -20.347 -17.290 730 HA ALA 98 HA ALA 98 -12.979 -18.899 -15.869 731 HB1 ALA 98 HB1 ALA 98 -11.457 -21.342 -14.961 732 HB2 ALA 98 HB2 ALA 98 -12.937 -21.338 -15.921 733 HB3 ALA 98 HB3 ALA 98 -12.960 -20.742 -14.261 734 H TYR 99 H TYR 99 -9.566 -19.447 -15.197 735 HA TYR 99 HA TYR 99 -9.528 -18.156 -12.670 736 HB2 TYR 99 HB2 TYR 99 -7.731 -19.669 -13.314 737 HB3 TYR 99 HB3 TYR 99 -7.314 -18.640 -14.679 738 HD1 TYR 99 HD2 TYR 99 -7.448 -18.694 -10.960 739 HD2 TYR 99 HD1 TYR 99 -5.775 -16.902 -14.436 740 HE1 TYR 99 HE2 TYR 99 -5.881 -17.427 -9.550 741 HE2 TYR 99 HE1 TYR 99 -4.205 -15.632 -13.038 742 HH TYR 99 HH TYR 99 -4.118 -14.807 -10.660 743 H ALA 100 H ALA 100 -8.946 -17.072 -15.977 744 HA ALA 100 HA ALA 100 -8.053 -14.472 -15.335 745 HB1 ALA 100 HB1 ALA 100 -8.335 -13.971 -17.674 746 HB2 ALA 100 HB2 ALA 100 -9.371 -15.383 -17.889 747 HB3 ALA 100 HB3 ALA 100 -7.662 -15.593 -17.504 748 H LYS 101 H LYS 101 -11.196 -15.862 -15.420 749 HA LYS 101 HA LYS 101 -12.597 -13.356 -15.752 750 HB2 LYS 101 HB2 LYS 101 -13.640 -16.077 -14.928 751 HB3 LYS 101 HB3 LYS 101 -14.629 -14.692 -15.368 752 HG2 LYS 101 HG2 LYS 101 -13.814 -14.754 -17.624 753 HG3 LYS 101 HG3 LYS 101 -12.666 -16.028 -17.216 754 HD2 LYS 101 HD2 LYS 101 -14.659 -17.444 -16.573 755 HD3 LYS 101 HD3 LYS 101 -15.670 -16.199 -17.311 756 HE2 LYS 101 HE2 LYS 101 -14.449 -16.498 -19.431 757 HE3 LYS 101 HE3 LYS 101 -13.494 -17.778 -18.685 758 HZ1 LYS 101 HZ1 LYS 101 -15.169 -18.888 -19.832 759 HZ2 LYS 101 HZ2 LYS 101 -16.368 -17.784 -19.365 760 HZ3 LYS 101 HZ3 LYS 101 -15.737 -18.874 -18.234 761 H LEU 102 H LEU 102 -11.035 -14.878 -13.205 762 HA LEU 102 HA LEU 102 -12.709 -13.489 -11.213 763 HB2 LEU 102 HB2 LEU 102 -12.764 -15.953 -11.047 764 HB3 LEU 102 HB3 LEU 102 -11.025 -15.969 -10.840 765 HG LEU 102 HG LEU 102 -11.306 -14.677 -8.732 766 HD11 LEU 102 HD11 LEU 102 -13.539 -14.555 -7.729 767 HD12 LEU 102 HD12 LEU 102 -14.238 -15.182 -9.222 768 HD13 LEU 102 HD13 LEU 102 -13.432 -13.613 -9.216 769 HD21 LEU 102 HD21 LEU 102 -12.138 -16.550 -7.412 770 HD22 LEU 102 HD22 LEU 102 -11.059 -17.099 -8.695 771 HD23 LEU 102 HD23 LEU 102 -12.803 -17.287 -8.869 772 H MET 103 H MET 103 -9.720 -13.504 -12.717 773 HA MET 103 HA MET 103 -7.960 -13.047 -10.572 774 HB2 MET 103 HB2 MET 103 -7.307 -13.713 -12.912 775 HB3 MET 103 HB3 MET 103 -7.573 -12.040 -13.387 776 HG2 MET 103 HG2 MET 103 -5.845 -11.284 -11.894 777 HG3 MET 103 HG3 MET 103 -5.643 -12.910 -11.246 778 HE1 MET 103 HE1 MET 103 -3.200 -11.203 -12.233 779 HE2 MET 103 HE2 MET 103 -2.304 -12.378 -13.194 780 HE3 MET 103 HE3 MET 103 -3.030 -12.864 -11.662 781 H ASN 104 H ASN 104 -10.130 -10.928 -12.247 782 HA ASN 104 HA ASN 104 -9.144 -8.406 -11.759 783 HB2 ASN 104 HB2 ASN 104 -11.269 -8.935 -12.939 784 HB3 ASN 104 HB3 ASN 104 -12.015 -9.288 -11.387 785 HD21 ASN 104 HD21 ASN 104 -13.537 -7.714 -11.466 786 HD22 ASN 104 HD22 ASN 104 -13.163 -6.024 -11.376 787 H GLN 105 H GLN 105 -10.755 -10.562 -9.469 788 HA GLN 105 HA GLN 105 -10.912 -8.674 -7.347 789 HB2 GLN 105 HB2 GLN 105 -11.690 -11.369 -7.800 790 HB3 GLN 105 HB3 GLN 105 -10.719 -11.347 -6.337 791 HG2 GLN 105 HG2 GLN 105 -12.931 -9.378 -6.690 792 HG3 GLN 105 HG3 GLN 105 -13.286 -11.031 -6.203 793 HE21 GLN 105 HE21 GLN 105 -10.358 -9.354 -5.255 794 HE22 GLN 105 HE22 GLN 105 -10.759 -9.226 -3.586 795 H TYR 106 H TYR 106 -8.484 -10.911 -8.424 796 HA TYR 106 HA TYR 106 -6.860 -10.707 -6.057 797 HB2 TYR 106 HB2 TYR 106 -6.882 -12.791 -7.273 798 HB3 TYR 106 HB3 TYR 106 -6.405 -11.982 -8.760 799 HD1 TYR 106 HD1 TYR 106 -5.197 -12.747 -5.318 800 HD2 TYR 106 HD2 TYR 106 -4.164 -11.838 -9.342 801 HE1 TYR 106 HE1 TYR 106 -2.830 -13.185 -4.803 802 HE2 TYR 106 HE2 TYR 106 -1.802 -12.273 -8.844 803 HH TYR 106 HH TYR 106 -0.306 -12.285 -6.869 804 H ARG 107 H ARG 107 -7.392 -8.646 -8.588 805 HA ARG 107 HA ARG 107 -4.881 -7.847 -9.481 806 HB2 ARG 107 HB2 ARG 107 -7.458 -6.340 -9.154 807 HB3 ARG 107 HB3 ARG 107 -6.044 -5.627 -9.904 808 HG2 ARG 107 HG2 ARG 107 -7.359 -8.148 -10.875 809 HG3 ARG 107 HG3 ARG 107 -7.735 -6.538 -11.488 810 HD2 ARG 107 HD2 ARG 107 -5.335 -6.279 -12.090 811 HD3 ARG 107 HD3 ARG 107 -5.079 -7.958 -11.617 812 HE ARG 107 HE ARG 107 -6.226 -8.655 -13.509 813 HH11 ARG 107 HH11 ARG 107 -6.340 -5.177 -13.206 814 HH12 ARG 107 HH12 ARG 107 -6.904 -4.912 -14.826 815 HH21 ARG 107 HH21 ARG 107 -6.969 -8.315 -15.657 816 HH22 ARG 107 HH22 ARG 107 -7.278 -6.700 -16.214 817 H GLY 108 H GLY 108 -3.593 -6.013 -8.976 818 HA2 GLY 108 HA2 GLY 108 -3.274 -5.573 -6.149 819 HA3 GLY 108 HA3 GLY 108 -2.272 -4.907 -7.431 820 H ILE 109 H ILE 109 -5.520 -4.654 -6.067 821 HA ILE 109 HA ILE 109 -6.143 -2.123 -7.142 822 HB ILE 109 HB ILE 109 -7.240 -3.236 -4.559 823 HG12 ILE 109 HG12 ILE 109 -8.288 -3.825 -7.328 824 HG13 ILE 109 HG13 ILE 109 -7.215 -4.915 -6.456 825 HG21 ILE 109 HG21 ILE 109 -9.280 -2.049 -5.256 826 HG22 ILE 109 HG22 ILE 109 -8.429 -1.448 -6.680 827 HG23 ILE 109 HG23 ILE 109 -7.908 -0.957 -5.068 828 HD11 ILE 109 HD11 ILE 109 -8.868 -5.083 -4.662 829 HD12 ILE 109 HD12 ILE 109 -9.512 -5.610 -6.217 830 HD13 ILE 109 HD13 ILE 109 -9.947 -4.026 -5.571 831 H TYR 110 H TYR 110 -4.425 -3.122 -4.296 832 HA TYR 110 HA TYR 110 -4.340 -0.370 -3.303 833 HB2 TYR 110 HB2 TYR 110 -3.420 -1.492 -1.194 834 HB3 TYR 110 HB3 TYR 110 -5.112 -1.786 -1.577 835 HD1 TYR 110 HD2 TYR 110 -5.812 -3.976 -2.486 836 HD2 TYR 110 HD1 TYR 110 -1.828 -3.294 -1.152 837 HE1 TYR 110 HE2 TYR 110 -5.436 -6.399 -2.393 838 HE2 TYR 110 HE1 TYR 110 -1.446 -5.724 -1.051 839 HH TYR 110 HH TYR 110 -3.507 -7.956 -2.516 840 H SER 111 H SER 111 -2.187 0.061 -2.079 841 HA SER 111 HA SER 111 -0.237 0.111 -4.178 842 HB2 SER 111 HB2 SER 111 1.011 1.531 -2.469 843 HB3 SER 111 HB3 SER 111 -0.561 2.139 -2.987 844 HG SER 111 HG SER 111 -0.073 0.636 -0.624 845 H PHE 112 H PHE 112 1.501 -1.111 -4.394 846 HA PHE 112 HA PHE 112 2.399 -2.737 -2.122 847 HB2 PHE 112 HB2 PHE 112 2.856 -3.110 -5.093 848 HB3 PHE 112 HB3 PHE 112 3.596 -4.105 -3.845 849 HD1 PHE 112 HD2 PHE 112 2.251 -5.673 -2.549 850 HD2 PHE 112 HD1 PHE 112 0.563 -3.380 -5.713 851 HE1 PHE 112 HE2 PHE 112 0.308 -7.184 -2.603 852 HE2 PHE 112 HE1 PHE 112 -1.377 -4.887 -5.775 853 HZ PHE 112 HZ PHE 112 -1.507 -6.791 -4.220 854 H GLU 113 H GLU 113 4.873 -3.129 -2.216 855 HA GLU 113 HA GLU 113 6.143 -0.536 -2.686 856 HB2 GLU 113 HB2 GLU 113 8.064 -1.473 -1.424 857 HB3 GLU 113 HB3 GLU 113 6.574 -1.428 -0.496 858 HG2 GLU 113 HG2 GLU 113 7.482 -3.908 -1.913 859 HG3 GLU 113 HG3 GLU 113 8.043 -3.490 -0.298 860 H LYS 114 H LYS 114 7.229 -0.194 -4.449 861 HA LYS 114 HA LYS 114 8.652 -2.316 -5.814 862 HB2 LYS 114 HB2 LYS 114 6.187 -2.295 -6.586 863 HB3 LYS 114 HB3 LYS 114 6.581 -0.771 -7.366 864 HG2 LYS 114 HG2 LYS 114 6.749 -2.510 -8.988 865 HG3 LYS 114 HG3 LYS 114 8.385 -1.954 -8.615 866 HD2 LYS 114 HD2 LYS 114 8.672 -3.853 -7.086 867 HD3 LYS 114 HD3 LYS 114 7.040 -4.403 -7.468 868 HE2 LYS 114 HE2 LYS 114 7.704 -4.688 -9.816 869 HE3 LYS 114 HE3 LYS 114 9.337 -4.163 -9.405 870 HZ1 LYS 114 HZ1 LYS 114 9.509 -6.059 -7.891 871 HZ2 LYS 114 HZ2 LYS 114 9.215 -6.563 -9.485 872 HZ3 LYS 114 HZ3 LYS 114 7.958 -6.573 -8.348 873 H VAL 115 H VAL 115 10.368 -1.525 -6.976 874 HA VAL 115 HA VAL 115 11.008 1.238 -6.621 875 HB VAL 115 HB VAL 115 12.800 -0.355 -6.507 876 HG11 VAL 115 HG11 VAL 115 11.949 -2.094 -7.958 877 HG12 VAL 115 HG12 VAL 115 13.573 -1.625 -8.466 878 HG13 VAL 115 HG13 VAL 115 12.167 -1.059 -9.368 879 HG21 VAL 115 HG21 VAL 115 13.058 1.367 -8.967 880 HG22 VAL 115 HG22 VAL 115 14.399 0.636 -8.085 881 HG23 VAL 115 HG23 VAL 115 13.390 1.853 -7.304 882 H LYS 116 H LYS 116 9.681 2.565 -7.689 883 HA LYS 116 HA LYS 116 9.744 2.415 -10.630 884 HB2 LYS 116 HB2 LYS 116 7.549 3.478 -8.843 885 HB3 LYS 116 HB3 LYS 116 7.586 3.686 -10.588 886 HG2 LYS 116 HG2 LYS 116 7.445 1.051 -9.129 887 HG3 LYS 116 HG3 LYS 116 6.105 1.870 -9.933 888 HD2 LYS 116 HD2 LYS 116 7.439 1.748 -12.062 889 HD3 LYS 116 HD3 LYS 116 8.575 0.707 -11.205 890 HE2 LYS 116 HE2 LYS 116 6.778 -0.890 -10.757 891 HE3 LYS 116 HE3 LYS 116 5.634 0.158 -11.594 892 HZ1 LYS 116 HZ1 LYS 116 7.849 -1.437 -12.724 893 HZ2 LYS 116 HZ2 LYS 116 7.231 -0.102 -13.565 894 HZ3 LYS 116 HZ3 LYS 116 6.217 -1.401 -13.185 895 H ALA 117 H ALA 117 11.010 3.903 -11.429 896 HA ALA 117 HA ALA 117 12.130 5.837 -11.801 897 HB1 ALA 117 HB1 ALA 117 11.257 7.959 -10.965 898 HB2 ALA 117 HB2 ALA 117 10.151 7.093 -9.898 899 HB3 ALA 117 HB3 ALA 117 9.967 6.967 -11.648 900 H HIS 118 H HIS 118 13.241 7.753 -10.362 901 HA HIS 118 HA HIS 118 14.247 6.471 -7.917 902 HB2 HIS 118 HB2 HIS 118 15.685 6.221 -10.137 903 HB3 HIS 118 HB3 HIS 118 16.207 7.846 -9.706 904 HD1 HIS 118 HD1 HIS 118 16.464 4.276 -8.684 905 HD2 HIS 118 HD2 HIS 118 17.839 7.985 -7.387 906 HE1 HIS 118 HE1 HIS 118 18.286 3.783 -7.016 907 HE2 HIS 118 HE2 HIS 118 19.197 6.034 -6.338 908 H SER 119 H SER 119 12.707 9.037 -9.064 909 HA SER 119 HA SER 119 14.337 11.159 -7.972 910 HB2 SER 119 HB2 SER 119 11.480 11.393 -8.902 911 HB3 SER 119 HB3 SER 119 12.728 12.638 -8.881 912 HG SER 119 HG SER 119 13.709 11.706 -10.604 913 H GLY 120 H GLY 120 11.449 9.362 -7.049 914 HA2 GLY 120 HA2 GLY 120 10.267 9.298 -5.082 915 HA3 GLY 120 HA3 GLY 120 11.580 10.199 -4.340 916 H ASN 121 H ASN 121 8.728 10.524 -3.946 917 HA ASN 121 HA ASN 121 8.491 13.340 -4.804 918 HB2 ASN 121 HB2 ASN 121 6.396 11.272 -4.152 919 HB3 ASN 121 HB3 ASN 121 6.029 12.990 -4.057 920 HD21 ASN 121 HD21 ASN 121 8.192 11.554 -6.412 921 HD22 ASN 121 HD22 ASN 121 7.198 11.858 -7.793 922 H GLU 122 H GLU 122 7.901 14.893 -3.185 923 HA GLU 122 HA GLU 122 9.231 14.261 -0.719 924 HB2 GLU 122 HB2 GLU 122 7.912 16.799 -1.663 925 HB3 GLU 122 HB3 GLU 122 8.784 16.645 -0.142 926 HG2 GLU 122 HG2 GLU 122 10.782 15.921 -1.486 927 HG3 GLU 122 HG3 GLU 122 9.877 16.383 -2.926 928 H PHE 123 H PHE 123 5.933 14.332 -1.734 929 HA PHE 123 HA PHE 123 4.776 14.458 0.849 930 HB2 PHE 123 HB2 PHE 123 3.842 13.236 -1.743 931 HB3 PHE 123 HB3 PHE 123 2.888 13.133 -0.268 932 HD1 PHE 123 HD1 PHE 123 4.150 15.354 -2.888 933 HD2 PHE 123 HD2 PHE 123 1.812 15.079 0.659 934 HE1 PHE 123 HE1 PHE 123 3.189 17.572 -3.350 935 HE2 PHE 123 HE2 PHE 123 0.847 17.296 0.203 936 HZ PHE 123 HZ PHE 123 1.539 18.546 -1.807 937 H ASN 124 H ASN 124 6.106 11.860 -1.101 938 HA ASN 124 HA ASN 124 5.637 9.814 0.864 939 HB2 ASN 124 HB2 ASN 124 5.848 9.272 -1.545 940 HB3 ASN 124 HB3 ASN 124 7.517 9.832 -1.520 941 HD21 ASN 124 HD21 ASN 124 9.100 8.543 -0.538 942 HD22 ASN 124 HD22 ASN 124 8.804 6.900 -0.094 943 H ASP 125 H ASP 125 8.191 12.023 0.006 944 HA ASP 125 HA ASP 125 10.409 10.881 1.181 945 HB2 ASP 125 HB2 ASP 125 10.631 12.805 -0.229 946 HB3 ASP 125 HB3 ASP 125 9.661 13.787 0.858 947 H TYR 126 H TYR 126 7.869 12.767 2.763 948 HA TYR 126 HA TYR 126 9.333 13.099 5.175 949 HB2 TYR 126 HB2 TYR 126 7.210 14.377 4.265 950 HB3 TYR 126 HB3 TYR 126 6.350 13.158 5.204 951 HD1 TYR 126 HD2 TYR 126 6.547 13.101 7.648 952 HD2 TYR 126 HD1 TYR 126 8.567 16.056 5.349 953 HE1 TYR 126 HE2 TYR 126 6.967 14.401 9.695 954 HE2 TYR 126 HE1 TYR 126 9.001 17.360 7.387 955 HH TYR 126 HH TYR 126 8.056 17.625 9.644 956 H VAL 127 H VAL 127 6.771 10.806 4.209 957 HA VAL 127 HA VAL 127 6.880 9.411 6.711 958 HB VAL 127 HB VAL 127 4.862 9.424 5.199 959 HG11 VAL 127 HG11 VAL 127 4.745 7.804 3.382 960 HG12 VAL 127 HG12 VAL 127 6.456 7.437 3.595 961 HG13 VAL 127 HG13 VAL 127 5.958 9.045 3.067 962 HG21 VAL 127 HG21 VAL 127 4.241 7.099 5.661 963 HG22 VAL 127 HG22 VAL 127 5.019 7.871 7.041 964 HG23 VAL 127 HG23 VAL 127 5.924 6.735 6.040 965 H ASP 128 H ASP 128 8.476 9.158 3.630 966 HA ASP 128 HA ASP 128 9.746 6.661 3.952 967 HB2 ASP 128 HB2 ASP 128 9.695 7.837 1.801 968 HB3 ASP 128 HB3 ASP 128 10.649 9.153 2.477 969 H MET 129 H MET 129 10.786 9.960 4.651 970 HA MET 129 HA MET 129 13.245 9.460 5.832 971 HB2 MET 129 HB2 MET 129 12.346 11.700 5.231 972 HB3 MET 129 HB3 MET 129 11.245 11.600 6.596 973 HG2 MET 129 HG2 MET 129 13.185 11.483 8.112 974 HG3 MET 129 HG3 MET 129 14.249 11.684 6.719 975 HE1 MET 129 HE1 MET 129 12.400 13.723 4.980 976 HE2 MET 129 HE2 MET 129 14.154 13.859 5.120 977 HE3 MET 129 HE3 MET 129 13.131 15.259 5.447 978 H LYS 130 H LYS 130 10.009 9.502 7.262 979 HA LYS 130 HA LYS 130 10.652 9.198 9.944 980 HB2 LYS 130 HB2 LYS 130 8.328 8.180 8.321 981 HB3 LYS 130 HB3 LYS 130 8.425 7.934 10.056 982 HG2 LYS 130 HG2 LYS 130 8.472 10.625 8.717 983 HG3 LYS 130 HG3 LYS 130 7.032 9.860 9.390 984 HD2 LYS 130 HD2 LYS 130 8.191 9.764 11.591 985 HD3 LYS 130 HD3 LYS 130 9.521 10.683 10.881 986 HE2 LYS 130 HE2 LYS 130 7.947 12.499 10.348 987 HE3 LYS 130 HE3 LYS 130 6.653 11.584 11.122 988 HZ1 LYS 130 HZ1 LYS 130 7.878 11.690 13.209 989 HZ2 LYS 130 HZ2 LYS 130 7.555 13.245 12.609 990 HZ3 LYS 130 HZ3 LYS 130 9.113 12.583 12.457 991 H ALA 131 H ALA 131 10.021 6.632 7.557 992 HA ALA 131 HA ALA 131 10.464 4.513 9.391 993 HB1 ALA 131 HB1 ALA 131 10.542 4.452 6.377 994 HB2 ALA 131 HB2 ALA 131 9.096 4.269 7.370 995 HB3 ALA 131 HB3 ALA 131 10.377 3.059 7.447 996 H LYS 132 H LYS 132 12.515 6.039 6.940 997 HA LYS 132 HA LYS 132 14.575 4.099 7.184 998 HB2 LYS 132 HB2 LYS 132 14.475 6.780 5.853 999 HB3 LYS 132 HB3 LYS 132 15.899 5.739 5.818 1000 HG2 LYS 132 HG2 LYS 132 14.386 3.918 4.955 1001 HG3 LYS 132 HG3 LYS 132 13.162 5.167 4.739 1002 HD2 LYS 132 HD2 LYS 132 14.489 6.312 3.149 1003 HD3 LYS 132 HD3 LYS 132 15.906 5.325 3.527 1004 HE2 LYS 132 HE2 LYS 132 14.845 4.614 1.457 1005 HE3 LYS 132 HE3 LYS 132 14.784 3.352 2.673 1006 HZ1 LYS 132 HZ1 LYS 132 12.491 4.020 3.152 1007 HZ2 LYS 132 HZ2 LYS 132 12.672 3.516 1.550 1008 HZ3 LYS 132 HZ3 LYS 132 12.557 5.172 1.910 1009 H SER 133 H SER 133 14.074 7.276 8.666 1010 HA SER 133 HA SER 133 16.681 7.354 9.838 1011 HB2 SER 133 HB2 SER 133 15.772 9.207 11.226 1012 HB3 SER 133 HB3 SER 133 15.477 9.436 9.502 1013 HG SER 133 HG SER 133 13.353 8.875 9.787 1014 H ALA 134 H ALA 134 13.590 6.036 10.762 1015 HA ALA 134 HA ALA 134 14.280 5.521 13.485 1016 HB1 ALA 134 HB1 ALA 134 12.260 4.165 13.534 1017 HB2 ALA 134 HB2 ALA 134 12.139 4.259 11.777 1018 HB3 ALA 134 HB3 ALA 134 11.953 5.717 12.753 1019 H LEU 135 H LEU 135 14.963 3.986 10.497 1020 HA LEU 135 HA LEU 135 15.693 1.471 11.778 1021 HB2 LEU 135 HB2 LEU 135 15.749 2.340 8.886 1022 HB3 LEU 135 HB3 LEU 135 16.285 0.768 9.446 1023 HG LEU 135 HG LEU 135 13.477 1.855 9.654 1024 HD11 LEU 135 HD11 LEU 135 12.941 0.122 8.020 1025 HD12 LEU 135 HD12 LEU 135 14.647 -0.319 7.924 1026 HD13 LEU 135 HD13 LEU 135 14.116 1.271 7.377 1027 HD21 LEU 135 HD21 LEU 135 12.888 -0.378 10.449 1028 HD22 LEU 135 HD22 LEU 135 14.037 0.400 11.537 1029 HD23 LEU 135 HD23 LEU 135 14.589 -0.844 10.417 1030 H GLY 136 H GLY 136 17.108 4.442 10.807 1031 HA2 GLY 136 HA2 GLY 136 19.244 5.057 11.669 1032 HA3 GLY 136 HA3 GLY 136 19.700 3.363 11.650 1033 H ILE 137 H ILE 137 18.150 4.766 8.863 1034 HA ILE 137 HA ILE 137 20.477 4.140 7.268 1035 HB ILE 137 HB ILE 137 17.841 5.389 6.473 1036 HG12 ILE 137 HG12 ILE 137 17.584 3.110 7.308 1037 HG13 ILE 137 HG13 ILE 137 17.325 3.154 5.568 1038 HG21 ILE 137 HG21 ILE 137 20.056 4.291 4.745 1039 HG22 ILE 137 HG22 ILE 137 19.594 5.985 4.900 1040 HG23 ILE 137 HG23 ILE 137 18.476 4.830 4.173 1041 HD11 ILE 137 HD11 ILE 137 18.617 1.208 6.213 1042 HD12 ILE 137 HD12 ILE 137 19.832 2.243 6.962 1043 HD13 ILE 137 HD13 ILE 137 19.585 2.293 5.217 1044 H ARG 138 H ARG 138 22.120 5.496 6.941 1045 HA ARG 138 HA ARG 138 21.573 8.404 6.917 1046 HB2 ARG 138 HB2 ARG 138 24.152 7.048 7.751 1047 HB3 ARG 138 HB3 ARG 138 23.880 8.781 7.684 1048 HG2 ARG 138 HG2 ARG 138 23.583 8.448 9.904 1049 HG3 ARG 138 HG3 ARG 138 21.926 8.170 9.360 1050 HD2 ARG 138 HD2 ARG 138 22.577 6.430 10.898 1051 HD3 ARG 138 HD3 ARG 138 22.389 5.749 9.284 1052 HE ARG 138 HE ARG 138 25.086 6.532 10.076 1053 HH11 ARG 138 HH11 ARG 138 22.746 3.946 9.663 1054 HH12 ARG 138 HH12 ARG 138 23.948 2.692 9.693 1055 HH21 ARG 138 HH21 ARG 138 26.658 4.861 10.115 1056 HH22 ARG 138 HH22 ARG 138 26.162 3.203 9.942 1057 H ASP 139 H ASP 139 22.017 9.404 5.068 1058 HA ASP 139 HA ASP 139 22.676 9.788 2.928 1059 HB2 ASP 139 HB2 ASP 139 25.209 8.563 4.000 1060 HB3 ASP 139 HB3 ASP 139 25.097 9.439 2.483 1061 H LEU 140 H LEU 140 21.141 8.127 2.231 1062 HA LEU 140 HA LEU 140 22.207 5.554 1.469 1063 HB2 LEU 140 HB2 LEU 140 19.790 6.105 2.215 1064 HB3 LEU 140 HB3 LEU 140 19.562 6.673 0.576 1065 HG LEU 140 HG LEU 140 18.738 4.357 0.988 1066 HD11 LEU 140 HD11 LEU 140 19.266 5.068 -1.273 1067 HD12 LEU 140 HD12 LEU 140 19.689 3.371 -1.040 1068 HD13 LEU 140 HD13 LEU 140 20.953 4.604 -1.042 1069 HD21 LEU 140 HD21 LEU 140 20.434 3.610 2.544 1070 HD22 LEU 140 HD22 LEU 140 21.671 3.743 1.296 1071 HD23 LEU 140 HD23 LEU 140 20.388 2.543 1.140 1072 H GLU 141 H GLU 141 20.520 8.036 -0.445 1073 HA GLU 141 HA GLU 141 22.309 7.401 -2.701 1074 HB2 GLU 141 HB2 GLU 141 19.766 7.214 -2.924 1075 HB3 GLU 141 HB3 GLU 141 19.727 8.967 -2.817 1076 HG2 GLU 141 HG2 GLU 141 19.635 8.349 -5.116 1077 HG3 GLU 141 HG3 GLU 141 21.215 9.068 -4.801 1078 H HIS 142 H HIS 142 22.148 9.443 -0.224 1079 HA HIS 142 HA HIS 142 22.652 11.958 -1.540 1080 HB2 HIS 142 HB2 HIS 142 21.505 11.864 0.638 1081 HB3 HIS 142 HB3 HIS 142 22.933 11.141 1.362 1082 HD1 HIS 142 HD1 HIS 142 24.447 12.717 2.502 1083 HD2 HIS 142 HD2 HIS 142 22.102 14.608 -0.380 1084 HE1 HIS 142 HE1 HIS 142 24.944 15.177 2.720 1085 HE2 HIS 142 HE2 HIS 142 23.399 16.307 1.087 1086 H HIS 143 H HIS 143 24.486 11.930 -2.734 1087 HA HIS 143 HA HIS 143 27.022 11.955 -1.452 1088 HB2 HIS 143 HB2 HIS 143 26.751 9.534 -1.417 1089 HB3 HIS 143 HB3 HIS 143 26.358 9.519 -3.131 1090 HD1 HIS 143 HD1 HIS 143 28.235 8.827 -4.561 1091 HD2 HIS 143 HD2 HIS 143 29.548 10.632 -1.046 1092 HE1 HIS 143 HE1 HIS 143 30.747 8.752 -4.653 1093 HE2 HIS 143 HE2 HIS 143 31.518 9.711 -2.453 1094 H HIS 144 H HIS 144 28.455 13.064 -2.671 1095 HA HIS 144 HA HIS 144 27.589 14.174 -5.161 1096 HB2 HIS 144 HB2 HIS 144 30.229 14.323 -3.703 1097 HB3 HIS 144 HB3 HIS 144 29.912 15.161 -5.217 1098 HD1 HIS 144 HD1 HIS 144 28.002 17.030 -5.126 1099 HD2 HIS 144 HD2 HIS 144 29.357 15.621 -1.453 1100 HE1 HIS 144 HE1 HIS 144 27.268 18.733 -3.432 1101 HE2 HIS 144 HE2 HIS 144 27.923 17.760 -1.202 1102 H HIS 145 H HIS 145 27.632 13.129 -7.032 1103 HA HIS 145 HA HIS 145 29.989 11.564 -7.717 1104 HB2 HIS 145 HB2 HIS 145 28.760 9.575 -8.334 1105 HB3 HIS 145 HB3 HIS 145 28.418 9.954 -6.651 1106 HD1 HIS 145 HD1 HIS 145 25.992 10.998 -6.169 1107 HD2 HIS 145 HD2 HIS 145 26.572 9.411 -9.971 1108 HE1 HIS 145 HE1 HIS 145 23.697 10.736 -7.152 1109 HE2 HIS 145 HE2 HIS 145 24.067 9.578 -9.359 1110 H HIS 146 H HIS 146 30.542 11.801 -9.787 1111 HA HIS 146 HA HIS 146 28.688 13.205 -11.558 1112 HB2 HIS 146 HB2 HIS 146 31.624 12.544 -11.839 1113 HB3 HIS 146 HB3 HIS 146 30.677 13.344 -13.088 1114 HD1 HIS 146 HD1 HIS 146 29.913 15.795 -12.623 1115 HD2 HIS 146 HD2 HIS 146 32.395 14.163 -9.706 1116 HE1 HIS 146 HE1 HIS 146 30.697 17.739 -11.224 1117 HE2 HIS 146 HE2 HIS 146 32.124 16.722 -9.413 1118 H HIS 147 H HIS 147 30.148 10.134 -11.003 1119 HA HIS 147 HA HIS 147 28.585 9.038 -13.244 1120 HB2 HIS 147 HB2 HIS 147 31.262 8.131 -12.166 1121 HB3 HIS 147 HB3 HIS 147 30.257 7.111 -13.187 1122 HD1 HIS 147 HD1 HIS 147 32.889 9.583 -13.355 1123 HD2 HIS 147 HD2 HIS 147 29.760 8.377 -15.822 1124 HE1 HIS 147 HE1 HIS 147 33.457 10.444 -15.647 1125 HE2 HIS 147 HE2 HIS 147 31.535 9.743 -17.121 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -15.216 17.026 1.441 2 H2 MET 1 H2 MET 1 -15.955 16.028 0.287 3 H3 MET 1 H3 MET 1 -14.501 15.548 1.015 4 HA MET 1 HA MET 1 -15.594 15.409 3.160 5 HB2 MET 1 HB2 MET 1 -17.356 17.069 2.746 6 HB3 MET 1 HB3 MET 1 -18.085 16.008 1.549 7 HG2 MET 1 HG2 MET 1 -18.481 14.339 3.320 8 HG3 MET 1 HG3 MET 1 -17.843 15.483 4.500 9 HE1 MET 1 HE1 MET 1 -18.972 18.257 3.397 10 HE2 MET 1 HE2 MET 1 -19.026 17.809 5.102 11 HE3 MET 1 HE3 MET 1 -20.484 18.388 4.296 12 H ASP 2 H ASP 2 -17.450 14.414 0.275 13 HA ASP 2 HA ASP 2 -16.977 11.619 1.073 14 HB2 ASP 2 HB2 ASP 2 -19.368 12.298 0.845 15 HB3 ASP 2 HB3 ASP 2 -19.065 12.686 -0.846 16 H ASP 3 H ASP 3 -14.911 11.533 0.224 17 HA ASP 3 HA ASP 3 -14.623 12.100 -2.643 18 HB2 ASP 3 HB2 ASP 3 -12.413 11.830 -0.591 19 HB3 ASP 3 HB3 ASP 3 -12.265 12.430 -2.239 20 H ARG 4 H ARG 4 -15.419 10.129 -3.359 21 HA ARG 4 HA ARG 4 -13.874 7.739 -2.603 22 HB2 ARG 4 HB2 ARG 4 -16.523 7.862 -4.053 23 HB3 ARG 4 HB3 ARG 4 -15.737 6.428 -3.410 24 HG2 ARG 4 HG2 ARG 4 -16.021 7.289 -1.141 25 HG3 ARG 4 HG3 ARG 4 -16.821 8.721 -1.792 26 HD2 ARG 4 HD2 ARG 4 -18.516 7.207 -2.823 27 HD3 ARG 4 HD3 ARG 4 -17.768 5.865 -1.959 28 HE ARG 4 HE ARG 4 -18.623 8.146 -0.358 29 HH11 ARG 4 HH11 ARG 4 -19.326 4.912 -1.509 30 HH12 ARG 4 HH12 ARG 4 -20.515 4.590 -0.284 31 HH21 ARG 4 HH21 ARG 4 -20.167 7.713 1.278 32 HH22 ARG 4 HH22 ARG 4 -20.964 6.165 1.319 33 H THR 5 H THR 5 -13.628 10.048 -4.728 34 HA THR 5 HA THR 5 -13.218 8.316 -7.061 35 HB THR 5 HB THR 5 -14.849 10.061 -7.476 36 HG1 THR 5 HG1 THR 5 -13.967 10.074 -9.376 37 HG21 THR 5 HG21 THR 5 -14.237 12.444 -7.398 38 HG22 THR 5 HG22 THR 5 -12.683 12.008 -6.689 39 HG23 THR 5 HG23 THR 5 -14.173 11.690 -5.805 40 H GLU 6 H GLU 6 -11.220 7.974 -7.748 41 HA GLU 6 HA GLU 6 -8.968 8.039 -7.973 42 HB2 GLU 6 HB2 GLU 6 -9.379 11.027 -7.757 43 HB3 GLU 6 HB3 GLU 6 -7.953 10.226 -8.402 44 HG2 GLU 6 HG2 GLU 6 -10.725 10.050 -9.556 45 HG3 GLU 6 HG3 GLU 6 -9.425 11.077 -10.160 46 H TYR 7 H TYR 7 -8.606 7.000 -5.953 47 HA TYR 7 HA TYR 7 -8.131 8.605 -3.603 48 HB2 TYR 7 HB2 TYR 7 -7.857 5.668 -4.186 49 HB3 TYR 7 HB3 TYR 7 -7.299 6.363 -2.669 50 HD1 TYR 7 HD2 TYR 7 -8.937 7.416 -1.122 51 HD2 TYR 7 HD1 TYR 7 -10.178 5.285 -4.590 52 HE1 TYR 7 HE2 TYR 7 -11.202 7.229 -0.187 53 HE2 TYR 7 HE1 TYR 7 -12.451 5.096 -3.667 54 HH TYR 7 HH TYR 7 -13.557 5.142 -1.491 55 H ASP 8 H ASP 8 -6.270 9.455 -2.940 56 HA ASP 8 HA ASP 8 -3.902 9.037 -4.567 57 HB2 ASP 8 HB2 ASP 8 -4.428 10.948 -2.281 58 HB3 ASP 8 HB3 ASP 8 -2.923 10.871 -3.190 59 H VAL 9 H VAL 9 -2.745 7.329 -4.103 60 HA VAL 9 HA VAL 9 -1.961 6.861 -1.307 61 HB VAL 9 HB VAL 9 -2.431 4.681 -3.358 62 HG11 VAL 9 HG11 VAL 9 -2.140 3.154 -1.468 63 HG12 VAL 9 HG12 VAL 9 -1.781 4.526 -0.418 64 HG13 VAL 9 HG13 VAL 9 -0.697 4.127 -1.750 65 HG21 VAL 9 HG21 VAL 9 -4.363 4.031 -1.987 66 HG22 VAL 9 HG22 VAL 9 -4.556 5.643 -2.677 67 HG23 VAL 9 HG23 VAL 9 -4.117 5.455 -0.980 68 H TYR 10 H TYR 10 0.173 7.318 -1.173 69 HA TYR 10 HA TYR 10 1.813 6.648 -3.520 70 HB2 TYR 10 HB2 TYR 10 3.203 8.606 -3.095 71 HB3 TYR 10 HB3 TYR 10 1.528 9.074 -3.350 72 HD1 TYR 10 HD1 TYR 10 4.256 8.853 -0.916 73 HD2 TYR 10 HD2 TYR 10 0.219 10.036 -1.547 74 HE1 TYR 10 HE1 TYR 10 4.312 10.134 1.179 75 HE2 TYR 10 HE2 TYR 10 0.265 11.321 0.548 76 HH TYR 10 HH TYR 10 1.489 11.400 2.628 77 H THR 11 H THR 11 4.194 6.655 -2.945 78 HA THR 11 HA THR 11 4.877 5.763 -0.302 79 HB THR 11 HB THR 11 3.986 3.680 -1.314 80 HG1 THR 11 HG1 THR 11 5.566 3.270 0.134 81 HG21 THR 11 HG21 THR 11 5.205 2.599 -3.161 82 HG22 THR 11 HG22 THR 11 6.194 4.049 -3.343 83 HG23 THR 11 HG23 THR 11 4.461 4.118 -3.662 84 H ASP 12 H ASP 12 7.100 5.967 0.043 85 HA ASP 12 HA ASP 12 8.381 7.737 -1.816 86 HB2 ASP 12 HB2 ASP 12 8.543 8.086 0.624 87 HB3 ASP 12 HB3 ASP 12 9.445 6.581 0.773 88 H GLY 13 H GLY 13 10.510 7.423 -2.693 89 HA2 GLY 13 HA2 GLY 13 11.176 4.577 -3.077 90 HA3 GLY 13 HA3 GLY 13 11.079 5.680 -4.440 91 H SER 14 H SER 14 12.359 7.017 -1.541 92 HA SER 14 HA SER 14 14.963 7.145 -2.862 93 HB2 SER 14 HB2 SER 14 15.514 8.915 -1.273 94 HB3 SER 14 HB3 SER 14 13.966 9.261 -2.041 95 HG SER 14 HG SER 14 12.994 8.271 -0.109 96 H TYR 15 H TYR 15 16.478 5.761 -2.364 97 HA TYR 15 HA TYR 15 16.411 4.466 0.276 98 HB2 TYR 15 HB2 TYR 15 17.879 2.717 -0.850 99 HB3 TYR 15 HB3 TYR 15 16.201 2.778 -1.376 100 HD1 TYR 15 HD2 TYR 15 15.634 3.716 -3.591 101 HD2 TYR 15 HD1 TYR 15 19.675 3.209 -2.359 102 HE1 TYR 15 HE2 TYR 15 16.367 3.933 -5.927 103 HE2 TYR 15 HE1 TYR 15 20.416 3.428 -4.691 104 HH TYR 15 HH TYR 15 18.554 4.681 -7.098 105 H VAL 16 H VAL 16 18.278 4.376 1.506 106 HA VAL 16 HA VAL 16 20.543 5.984 0.559 107 HB VAL 16 HB VAL 16 19.029 7.416 1.934 108 HG11 VAL 16 HG11 VAL 16 18.932 7.064 4.364 109 HG12 VAL 16 HG12 VAL 16 19.744 5.512 4.154 110 HG13 VAL 16 HG13 VAL 16 18.145 5.769 3.461 111 HG21 VAL 16 HG21 VAL 16 20.780 8.316 3.402 112 HG22 VAL 16 HG22 VAL 16 21.379 7.957 1.782 113 HG23 VAL 16 HG23 VAL 16 21.742 6.865 3.120 114 H ASN 17 H ASN 17 22.527 5.311 1.270 115 HA ASN 17 HA ASN 17 24.107 3.846 1.993 116 HB2 ASN 17 HB2 ASN 17 22.140 3.552 4.271 117 HB3 ASN 17 HB3 ASN 17 23.719 2.776 4.259 118 HD21 ASN 17 HD21 ASN 17 21.995 5.765 4.576 119 HD22 ASN 17 HD22 ASN 17 23.339 6.724 5.094 120 H GLY 18 H GLY 18 21.918 2.932 0.230 121 HA2 GLY 18 HA2 GLY 18 21.373 0.958 -0.820 122 HA3 GLY 18 HA3 GLY 18 22.554 0.153 0.204 123 H GLN 19 H GLN 19 20.248 1.938 1.942 124 HA GLN 19 HA GLN 19 18.844 -0.549 2.650 125 HB2 GLN 19 HB2 GLN 19 19.157 2.040 4.183 126 HB3 GLN 19 HB3 GLN 19 18.185 0.679 4.720 127 HG2 GLN 19 HG2 GLN 19 20.184 -0.718 4.810 128 HG3 GLN 19 HG3 GLN 19 21.160 0.649 4.270 129 HE21 GLN 19 HE21 GLN 19 19.299 -0.694 6.894 130 HE22 GLN 19 HE22 GLN 19 19.886 0.385 8.117 131 H TYR 20 H TYR 20 16.666 -0.701 2.504 132 HA TYR 20 HA TYR 20 15.098 1.679 1.921 133 HB2 TYR 20 HB2 TYR 20 13.952 0.594 0.026 134 HB3 TYR 20 HB3 TYR 20 15.666 0.820 -0.298 135 HD1 TYR 20 HD1 TYR 20 17.164 -1.099 -0.464 136 HD2 TYR 20 HD2 TYR 20 13.011 -1.625 0.308 137 HE1 TYR 20 HE1 TYR 20 17.365 -3.486 -1.019 138 HE2 TYR 20 HE2 TYR 20 13.203 -4.012 -0.244 139 HH TYR 20 HH TYR 20 14.615 -5.508 -1.464 140 H ALA 21 H ALA 21 12.797 1.314 2.190 141 HA ALA 21 HA ALA 21 12.023 -1.081 3.650 142 HB1 ALA 21 HB1 ALA 21 11.149 0.190 5.545 143 HB2 ALA 21 HB2 ALA 21 11.767 1.684 4.841 144 HB3 ALA 21 HB3 ALA 21 12.888 0.433 5.380 145 H TRP 22 H TRP 22 9.587 -0.948 4.154 146 HA TRP 22 HA TRP 22 8.298 0.285 1.840 147 HB2 TRP 22 HB2 TRP 22 6.321 -1.131 2.451 148 HB3 TRP 22 HB3 TRP 22 7.760 -2.045 2.029 149 HD1 TRP 22 HD1 TRP 22 8.905 -3.492 3.947 150 HE1 TRP 22 HE1 TRP 22 8.040 -4.335 6.221 151 HE3 TRP 22 HE3 TRP 22 4.826 -0.451 4.431 152 HZ2 TRP 22 HZ2 TRP 22 5.898 -3.774 7.988 153 HZ3 TRP 22 HZ3 TRP 22 3.422 -0.664 6.436 154 HH2 TRP 22 HH2 TRP 22 3.946 -2.294 8.178 155 H ALA 23 H ALA 23 6.931 1.939 2.009 156 HA ALA 23 HA ALA 23 6.077 2.820 4.675 157 HB1 ALA 23 HB1 ALA 23 7.428 4.593 2.638 158 HB2 ALA 23 HB2 ALA 23 8.154 4.014 4.138 159 HB3 ALA 23 HB3 ALA 23 6.770 5.106 4.193 160 H TYR 24 H TYR 24 4.067 3.689 4.719 161 HA TYR 24 HA TYR 24 2.811 4.381 2.162 162 HB2 TYR 24 HB2 TYR 24 1.628 2.546 4.255 163 HB3 TYR 24 HB3 TYR 24 0.705 3.252 2.934 164 HD1 TYR 24 HD2 TYR 24 1.881 2.868 0.541 165 HD2 TYR 24 HD1 TYR 24 2.370 0.388 3.962 166 HE1 TYR 24 HE2 TYR 24 2.523 0.997 -0.916 167 HE2 TYR 24 HE1 TYR 24 3.019 -1.489 2.514 168 HH TYR 24 HH TYR 24 2.524 -2.126 0.001 169 H ALA 25 H ALA 25 1.499 6.093 2.211 170 HA ALA 25 HA ALA 25 0.611 7.139 4.795 171 HB1 ALA 25 HB1 ALA 25 1.895 8.833 2.656 172 HB2 ALA 25 HB2 ALA 25 2.658 8.354 4.173 173 HB3 ALA 25 HB3 ALA 25 1.238 9.402 4.192 174 H PHE 26 H PHE 26 -1.506 7.247 4.712 175 HA PHE 26 HA PHE 26 -2.887 7.341 2.166 176 HB2 PHE 26 HB2 PHE 26 -3.906 7.081 5.003 177 HB3 PHE 26 HB3 PHE 26 -4.940 7.079 3.579 178 HD1 PHE 26 HD2 PHE 26 -2.330 5.220 5.395 179 HD2 PHE 26 HD1 PHE 26 -5.145 5.148 2.203 180 HE1 PHE 26 HE2 PHE 26 -2.008 2.794 5.167 181 HE2 PHE 26 HE1 PHE 26 -4.830 2.719 1.974 182 HZ PHE 26 HZ PHE 26 -3.258 1.539 3.459 183 H VAL 27 H VAL 27 -3.175 9.220 1.236 184 HA VAL 27 HA VAL 27 -3.503 11.601 2.924 185 HB VAL 27 HB VAL 27 -1.529 11.824 1.624 186 HG11 VAL 27 HG11 VAL 27 -1.940 10.094 -0.027 187 HG12 VAL 27 HG12 VAL 27 -1.480 11.603 -0.816 188 HG13 VAL 27 HG13 VAL 27 -3.169 11.095 -0.796 189 HG21 VAL 27 HG21 VAL 27 -3.741 13.371 0.287 190 HG22 VAL 27 HG22 VAL 27 -2.022 13.744 0.166 191 HG23 VAL 27 HG23 VAL 27 -2.841 13.855 1.726 192 H LYS 28 H LYS 28 -5.384 12.546 2.970 193 HA LYS 28 HA LYS 28 -7.176 12.367 0.638 194 HB2 LYS 28 HB2 LYS 28 -7.898 12.126 3.561 195 HB3 LYS 28 HB3 LYS 28 -9.081 12.455 2.306 196 HG2 LYS 28 HG2 LYS 28 -7.336 10.006 2.423 197 HG3 LYS 28 HG3 LYS 28 -9.004 10.089 2.988 198 HD2 LYS 28 HD2 LYS 28 -8.046 10.523 0.157 199 HD3 LYS 28 HD3 LYS 28 -8.904 9.107 0.764 200 HE2 LYS 28 HE2 LYS 28 -9.960 11.924 0.532 201 HE3 LYS 28 HE3 LYS 28 -10.453 10.525 -0.417 202 HZ1 LYS 28 HZ1 LYS 28 -11.184 9.520 1.766 203 HZ2 LYS 28 HZ2 LYS 28 -12.101 10.834 1.212 204 HZ3 LYS 28 HZ3 LYS 28 -10.974 11.060 2.452 205 H ASP 29 H ASP 29 -8.031 14.279 0.001 206 HA ASP 29 HA ASP 29 -8.446 16.517 -0.134 207 HB2 ASP 29 HB2 ASP 29 -8.129 16.417 2.874 208 HB3 ASP 29 HB3 ASP 29 -8.624 17.850 1.986 209 H GLY 30 H GLY 30 -5.657 15.238 0.096 210 HA2 GLY 30 HA2 GLY 30 -3.561 16.151 -0.382 211 HA3 GLY 30 HA3 GLY 30 -4.184 17.742 0.031 212 H LYS 31 H LYS 31 -5.117 15.769 2.481 213 HA LYS 31 HA LYS 31 -2.738 16.455 4.082 214 HB2 LYS 31 HB2 LYS 31 -5.606 16.031 4.933 215 HB3 LYS 31 HB3 LYS 31 -4.274 16.270 6.047 216 HG2 LYS 31 HG2 LYS 31 -5.025 18.283 3.945 217 HG3 LYS 31 HG3 LYS 31 -5.707 18.285 5.572 218 HD2 LYS 31 HD2 LYS 31 -3.951 19.764 5.801 219 HD3 LYS 31 HD3 LYS 31 -3.215 18.251 6.322 220 HE2 LYS 31 HE2 LYS 31 -1.662 19.319 4.880 221 HE3 LYS 31 HE3 LYS 31 -2.360 17.974 3.978 222 HZ1 LYS 31 HZ1 LYS 31 -2.958 20.860 3.691 223 HZ2 LYS 31 HZ2 LYS 31 -3.947 19.662 3.023 224 HZ3 LYS 31 HZ3 LYS 31 -2.331 19.806 2.522 225 H VAL 32 H VAL 32 -1.797 14.913 5.379 226 HA VAL 32 HA VAL 32 -2.375 12.155 4.621 227 HB VAL 32 HB VAL 32 -0.141 13.219 6.362 228 HG11 VAL 32 HG11 VAL 32 -0.496 10.565 4.974 229 HG12 VAL 32 HG12 VAL 32 -0.586 10.854 6.710 230 HG13 VAL 32 HG13 VAL 32 0.943 11.074 5.859 231 HG21 VAL 32 HG21 VAL 32 -0.004 14.183 4.131 232 HG22 VAL 32 HG22 VAL 32 -0.135 12.577 3.414 233 HG23 VAL 32 HG23 VAL 32 1.282 13.001 4.376 234 H HIS 33 H HIS 33 -3.634 10.904 5.841 235 HA HIS 33 HA HIS 33 -4.151 11.762 8.606 236 HB2 HIS 33 HB2 HIS 33 -5.794 10.050 6.736 237 HB3 HIS 33 HB3 HIS 33 -6.192 10.307 8.432 238 HD1 HIS 33 HD1 HIS 33 -6.429 13.014 9.047 239 HD2 HIS 33 HD2 HIS 33 -6.966 11.845 5.090 240 HE1 HIS 33 HE1 HIS 33 -7.690 14.891 7.950 241 HE2 HIS 33 HE2 HIS 33 -8.160 14.086 5.610 242 H TYR 34 H TYR 34 -3.132 9.034 6.662 243 HA TYR 34 HA TYR 34 -2.460 7.620 9.156 244 HB2 TYR 34 HB2 TYR 34 -3.339 6.435 6.514 245 HB3 TYR 34 HB3 TYR 34 -2.713 5.494 7.862 246 HD1 TYR 34 HD1 TYR 34 -4.044 5.232 9.913 247 HD2 TYR 34 HD2 TYR 34 -5.590 7.296 6.527 248 HE1 TYR 34 HE1 TYR 34 -6.312 5.038 10.839 249 HE2 TYR 34 HE2 TYR 34 -7.867 7.104 7.443 250 HH TYR 34 HH TYR 34 -8.476 6.136 10.664 251 H GLU 35 H GLU 35 -0.446 6.717 9.285 252 HA GLU 35 HA GLU 35 1.366 6.867 7.014 253 HB2 GLU 35 HB2 GLU 35 3.019 8.212 8.269 254 HB3 GLU 35 HB3 GLU 35 1.540 9.107 7.953 255 HG2 GLU 35 HG2 GLU 35 0.789 8.782 10.210 256 HG3 GLU 35 HG3 GLU 35 2.154 7.723 10.552 257 H ASP 36 H ASP 36 2.787 5.201 7.073 258 HA ASP 36 HA ASP 36 3.957 4.355 9.538 259 HB2 ASP 36 HB2 ASP 36 1.684 3.154 9.455 260 HB3 ASP 36 HB3 ASP 36 2.374 2.205 8.141 261 H ALA 37 H ALA 37 5.532 2.630 9.229 262 HA ALA 37 HA ALA 37 6.421 1.835 6.660 263 HB1 ALA 37 HB1 ALA 37 7.031 4.193 6.450 264 HB2 ALA 37 HB2 ALA 37 8.473 3.182 6.543 265 HB3 ALA 37 HB3 ALA 37 7.949 4.099 7.954 266 H ASP 38 H ASP 38 7.956 0.233 6.859 267 HA ASP 38 HA ASP 38 9.532 -0.057 9.249 268 HB2 ASP 38 HB2 ASP 38 7.056 -1.037 9.580 269 HB3 ASP 38 HB3 ASP 38 7.786 -2.424 8.776 270 H VAL 39 H VAL 39 10.580 -2.447 9.095 271 HA VAL 39 HA VAL 39 11.396 -2.720 6.265 272 HB VAL 39 HB VAL 39 13.242 -3.221 8.593 273 HG11 VAL 39 HG11 VAL 39 13.749 -2.694 5.672 274 HG12 VAL 39 HG12 VAL 39 13.897 -4.241 6.504 275 HG13 VAL 39 HG13 VAL 39 14.993 -2.919 6.902 276 HG21 VAL 39 HG21 VAL 39 12.513 -0.889 8.713 277 HG22 VAL 39 HG22 VAL 39 13.005 -0.653 7.034 278 HG23 VAL 39 HG23 VAL 39 14.214 -1.018 8.266 279 H GLY 40 H GLY 40 12.051 -4.831 5.602 280 HA2 GLY 40 HA2 GLY 40 12.462 -7.134 5.973 281 HA3 GLY 40 HA3 GLY 40 11.589 -7.016 7.493 282 H LYS 41 H LYS 41 11.415 -8.710 4.943 283 HA LYS 41 HA LYS 41 8.481 -8.631 4.848 284 HB2 LYS 41 HB2 LYS 41 10.310 -9.083 2.479 285 HB3 LYS 41 HB3 LYS 41 8.567 -9.306 2.458 286 HG2 LYS 41 HG2 LYS 41 8.278 -6.920 2.979 287 HG3 LYS 41 HG3 LYS 41 10.029 -6.716 2.924 288 HD2 LYS 41 HD2 LYS 41 10.028 -7.476 0.583 289 HD3 LYS 41 HD3 LYS 41 8.270 -7.622 0.644 290 HE2 LYS 41 HE2 LYS 41 8.118 -5.214 1.149 291 HE3 LYS 41 HE3 LYS 41 9.871 -5.093 1.011 292 HZ1 LYS 41 HZ1 LYS 41 9.664 -5.872 -1.305 293 HZ2 LYS 41 HZ2 LYS 41 8.860 -4.401 -1.036 294 HZ3 LYS 41 HZ3 LYS 41 7.972 -5.841 -1.151 295 H ASN 42 H ASN 42 8.018 -10.400 6.025 296 HA ASN 42 HA ASN 42 9.397 -12.920 5.344 297 HB2 ASN 42 HB2 ASN 42 8.350 -11.998 8.034 298 HB3 ASN 42 HB3 ASN 42 8.886 -13.640 7.702 299 HD21 ASN 42 HD21 ASN 42 9.909 -11.787 9.635 300 HD22 ASN 42 HD22 ASN 42 11.585 -11.540 9.249 301 HA PRO 43 HA PRO 43 5.513 -14.823 4.374 302 HB2 PRO 43 HB2 PRO 43 5.631 -17.122 5.940 303 HB3 PRO 43 HB3 PRO 43 6.334 -16.949 4.330 304 HG2 PRO 43 HG2 PRO 43 7.636 -16.716 7.005 305 HG3 PRO 43 HG3 PRO 43 8.263 -17.435 5.510 306 HD2 PRO 43 HD2 PRO 43 9.067 -15.021 6.336 307 HD3 PRO 43 HD3 PRO 43 8.828 -15.368 4.611 308 H ALA 44 H ALA 44 6.390 -14.674 7.794 309 HA ALA 44 HA ALA 44 3.688 -14.926 8.730 310 HB1 ALA 44 HB1 ALA 44 5.567 -15.683 10.092 311 HB2 ALA 44 HB2 ALA 44 4.638 -14.443 10.932 312 HB3 ALA 44 HB3 ALA 44 6.178 -14.030 10.180 313 H ALA 45 H ALA 45 5.460 -12.425 7.352 314 HA ALA 45 HA ALA 45 4.181 -10.288 8.858 315 HB1 ALA 45 HB1 ALA 45 6.557 -10.102 8.258 316 HB2 ALA 45 HB2 ALA 45 5.595 -8.788 7.579 317 HB3 ALA 45 HB3 ALA 45 6.115 -10.124 6.549 318 H ALA 46 H ALA 46 3.147 -12.263 6.537 319 HA ALA 46 HA ALA 46 2.039 -10.551 4.582 320 HB1 ALA 46 HB1 ALA 46 0.562 -12.430 4.049 321 HB2 ALA 46 HB2 ALA 46 1.049 -13.240 5.538 322 HB3 ALA 46 HB3 ALA 46 2.229 -12.966 4.256 323 H THR 47 H THR 47 1.057 -11.474 7.786 324 HA THR 47 HA THR 47 -1.467 -10.029 7.574 325 HB THR 47 HB THR 47 -0.291 -11.352 10.023 326 HG1 THR 47 HG1 THR 47 -1.651 -12.421 7.792 327 HG21 THR 47 HG21 THR 47 -2.159 -9.796 10.411 328 HG22 THR 47 HG22 THR 47 -2.616 -11.465 10.757 329 HG23 THR 47 HG23 THR 47 -3.139 -10.697 9.258 330 H MET 48 H MET 48 1.558 -9.978 9.383 331 HA MET 48 HA MET 48 2.867 -8.327 10.173 332 HB2 MET 48 HB2 MET 48 2.409 -7.073 8.131 333 HB3 MET 48 HB3 MET 48 0.918 -6.450 8.825 334 HG2 MET 48 HG2 MET 48 2.679 -4.786 8.908 335 HG3 MET 48 HG3 MET 48 2.186 -5.264 10.531 336 HE1 MET 48 HE1 MET 48 4.524 -7.186 7.984 337 HE2 MET 48 HE2 MET 48 6.106 -6.586 8.482 338 HE3 MET 48 HE3 MET 48 4.928 -5.485 7.765 339 H ARG 49 H ARG 49 -0.509 -7.231 10.462 340 HA ARG 49 HA ARG 49 -0.663 -7.363 13.248 341 HB2 ARG 49 HB2 ARG 49 1.099 -5.396 12.599 342 HB3 ARG 49 HB3 ARG 49 -0.403 -4.481 12.602 343 HG2 ARG 49 HG2 ARG 49 -0.833 -5.038 14.873 344 HG3 ARG 49 HG3 ARG 49 0.479 -6.219 14.890 345 HD2 ARG 49 HD2 ARG 49 2.080 -4.370 14.474 346 HD3 ARG 49 HD3 ARG 49 0.745 -3.229 14.612 347 HE ARG 49 HE ARG 49 0.590 -4.578 16.930 348 HH11 ARG 49 HH11 ARG 49 3.298 -3.055 15.292 349 HH12 ARG 49 HH12 ARG 49 4.112 -2.630 16.775 350 HH21 ARG 49 HH21 ARG 49 1.646 -4.041 18.865 351 HH22 ARG 49 HH22 ARG 49 3.177 -3.207 18.813 352 H ASN 50 H ASN 50 -2.267 -5.087 13.740 353 HA ASN 50 HA ASN 50 -4.753 -5.883 12.774 354 HB2 ASN 50 HB2 ASN 50 -4.023 -3.086 13.677 355 HB3 ASN 50 HB3 ASN 50 -5.632 -3.793 13.655 356 HD21 ASN 50 HD21 ASN 50 -6.080 -3.616 15.784 357 HD22 ASN 50 HD22 ASN 50 -5.201 -4.436 17.036 358 H VAL 51 H VAL 51 -2.339 -3.921 11.329 359 HA VAL 51 HA VAL 51 -3.675 -2.274 9.588 360 HB VAL 51 HB VAL 51 -1.171 -3.827 8.912 361 HG11 VAL 51 HG11 VAL 51 -0.621 -1.911 7.508 362 HG12 VAL 51 HG12 VAL 51 -2.138 -1.132 7.955 363 HG13 VAL 51 HG13 VAL 51 -2.157 -2.626 7.018 364 HG21 VAL 51 HG21 VAL 51 -0.937 -2.765 11.090 365 HG22 VAL 51 HG22 VAL 51 -1.455 -1.224 10.409 366 HG23 VAL 51 HG23 VAL 51 0.066 -1.951 9.891 367 H ALA 52 H ALA 52 -3.144 -5.751 9.302 368 HA ALA 52 HA ALA 52 -3.761 -6.086 6.589 369 HB1 ALA 52 HB1 ALA 52 -4.299 -8.012 8.850 370 HB2 ALA 52 HB2 ALA 52 -2.772 -7.849 7.985 371 HB3 ALA 52 HB3 ALA 52 -4.210 -8.414 7.134 372 H GLY 53 H GLY 53 -5.858 -5.892 9.428 373 HA2 GLY 53 HA2 GLY 53 -8.260 -6.481 7.979 374 HA3 GLY 53 HA3 GLY 53 -8.160 -5.803 9.600 375 H GLU 54 H GLU 54 -6.491 -3.587 8.828 376 HA GLU 54 HA GLU 54 -8.550 -1.749 8.179 377 HB2 GLU 54 HB2 GLU 54 -5.567 -1.269 8.199 378 HB3 GLU 54 HB3 GLU 54 -6.830 -0.054 8.340 379 HG2 GLU 54 HG2 GLU 54 -7.548 -1.110 10.457 380 HG3 GLU 54 HG3 GLU 54 -6.182 -2.216 10.328 381 H ILE 55 H ILE 55 -5.772 -3.023 6.361 382 HA ILE 55 HA ILE 55 -6.294 -1.483 4.034 383 HB ILE 55 HB ILE 55 -4.795 -3.091 2.882 384 HG12 ILE 55 HG12 ILE 55 -4.592 -4.396 5.593 385 HG13 ILE 55 HG13 ILE 55 -5.365 -5.103 4.178 386 HG21 ILE 55 HG21 ILE 55 -3.772 -1.985 5.486 387 HG22 ILE 55 HG22 ILE 55 -3.900 -1.112 3.958 388 HG23 ILE 55 HG23 ILE 55 -2.775 -2.460 4.111 389 HD11 ILE 55 HD11 ILE 55 -2.445 -4.407 4.423 390 HD12 ILE 55 HD12 ILE 55 -3.222 -5.133 3.017 391 HD13 ILE 55 HD13 ILE 55 -3.143 -6.023 4.538 392 H ALA 56 H ALA 56 -7.372 -4.608 5.178 393 HA ALA 56 HA ALA 56 -8.614 -5.513 2.824 394 HB1 ALA 56 HB1 ALA 56 -9.893 -7.001 4.240 395 HB2 ALA 56 HB2 ALA 56 -9.480 -6.046 5.664 396 HB3 ALA 56 HB3 ALA 56 -8.222 -6.934 4.802 397 H ALA 57 H ALA 57 -9.711 -3.359 5.384 398 HA ALA 57 HA ALA 57 -12.381 -3.082 4.497 399 HB1 ALA 57 HB1 ALA 57 -12.418 -1.045 5.875 400 HB2 ALA 57 HB2 ALA 57 -10.667 -1.152 6.064 401 HB3 ALA 57 HB3 ALA 57 -11.706 -2.411 6.732 402 H ALA 58 H ALA 58 -9.389 -1.423 3.688 403 HA ALA 58 HA ALA 58 -10.587 0.564 2.027 404 HB1 ALA 58 HB1 ALA 58 -8.390 0.895 3.032 405 HB2 ALA 58 HB2 ALA 58 -8.295 1.006 1.276 406 HB3 ALA 58 HB3 ALA 58 -7.746 -0.454 2.099 407 H LEU 59 H LEU 59 -9.552 -2.717 1.597 408 HA LEU 59 HA LEU 59 -9.334 -2.777 -1.209 409 HB2 LEU 59 HB2 LEU 59 -8.526 -4.545 0.345 410 HB3 LEU 59 HB3 LEU 59 -10.188 -5.007 0.638 411 HG LEU 59 HG LEU 59 -10.425 -5.585 -1.760 412 HD11 LEU 59 HD11 LEU 59 -8.402 -5.794 -3.130 413 HD12 LEU 59 HD12 LEU 59 -7.463 -5.029 -1.847 414 HD13 LEU 59 HD13 LEU 59 -8.724 -4.120 -2.680 415 HD21 LEU 59 HD21 LEU 59 -9.094 -7.637 -1.657 416 HD22 LEU 59 HD22 LEU 59 -9.897 -7.306 -0.122 417 HD23 LEU 59 HD23 LEU 59 -8.176 -6.972 -0.306 418 H TYR 60 H TYR 60 -12.061 -3.062 0.979 419 HA TYR 60 HA TYR 60 -14.004 -3.894 -0.890 420 HB2 TYR 60 HB2 TYR 60 -14.401 -2.163 1.564 421 HB3 TYR 60 HB3 TYR 60 -15.667 -3.026 0.697 422 HD1 TYR 60 HD2 TYR 60 -14.355 -5.650 0.245 423 HD2 TYR 60 HD1 TYR 60 -14.386 -3.130 3.673 424 HE1 TYR 60 HE2 TYR 60 -13.985 -7.610 1.683 425 HE2 TYR 60 HE1 TYR 60 -14.012 -5.083 5.119 426 HH TYR 60 HH TYR 60 -14.459 -7.592 4.973 427 H ALA 61 H ALA 61 -12.664 -0.752 -0.109 428 HA ALA 61 HA ALA 61 -14.549 0.792 -1.573 429 HB1 ALA 61 HB1 ALA 61 -12.925 2.606 -1.385 430 HB2 ALA 61 HB2 ALA 61 -11.706 1.464 -0.820 431 HB3 ALA 61 HB3 ALA 61 -13.136 1.784 0.161 432 H VAL 62 H VAL 62 -11.445 -0.686 -2.338 433 HA VAL 62 HA VAL 62 -11.183 0.316 -4.971 434 HB VAL 62 HB VAL 62 -10.128 -2.272 -3.799 435 HG11 VAL 62 HG11 VAL 62 -9.294 -0.747 -6.265 436 HG12 VAL 62 HG12 VAL 62 -10.037 -2.347 -6.212 437 HG13 VAL 62 HG13 VAL 62 -8.411 -2.108 -5.571 438 HG21 VAL 62 HG21 VAL 62 -9.409 -0.316 -2.528 439 HG22 VAL 62 HG22 VAL 62 -8.831 0.444 -4.011 440 HG23 VAL 62 HG23 VAL 62 -8.062 -1.026 -3.415 441 H LYS 63 H LYS 63 -12.729 -2.526 -3.601 442 HA LYS 63 HA LYS 63 -13.438 -3.819 -6.000 443 HB2 LYS 63 HB2 LYS 63 -13.493 -4.605 -3.502 444 HB3 LYS 63 HB3 LYS 63 -15.119 -3.941 -3.511 445 HG2 LYS 63 HG2 LYS 63 -14.313 -5.885 -5.621 446 HG3 LYS 63 HG3 LYS 63 -14.712 -6.459 -4.003 447 HD2 LYS 63 HD2 LYS 63 -16.905 -5.408 -4.159 448 HD3 LYS 63 HD3 LYS 63 -16.503 -4.784 -5.760 449 HE2 LYS 63 HE2 LYS 63 -16.301 -7.037 -6.622 450 HE3 LYS 63 HE3 LYS 63 -16.579 -7.704 -5.016 451 HZ1 LYS 63 HZ1 LYS 63 -18.550 -6.121 -6.585 452 HZ2 LYS 63 HZ2 LYS 63 -18.813 -6.801 -5.052 453 HZ3 LYS 63 HZ3 LYS 63 -18.559 -7.805 -6.393 454 H LYS 64 H LYS 64 -15.004 -1.313 -4.091 455 HA LYS 64 HA LYS 64 -17.380 -1.195 -5.682 456 HB2 LYS 64 HB2 LYS 64 -16.171 0.734 -3.696 457 HB3 LYS 64 HB3 LYS 64 -17.723 0.989 -4.479 458 HG2 LYS 64 HG2 LYS 64 -18.639 -0.965 -3.423 459 HG3 LYS 64 HG3 LYS 64 -17.059 -1.387 -2.754 460 HD2 LYS 64 HD2 LYS 64 -17.060 0.597 -1.386 461 HD3 LYS 64 HD3 LYS 64 -18.557 1.153 -2.130 462 HE2 LYS 64 HE2 LYS 64 -18.265 -1.373 -0.515 463 HE3 LYS 64 HE3 LYS 64 -18.893 0.151 0.104 464 HZ1 LYS 64 HZ1 LYS 64 -20.093 -1.597 -1.965 465 HZ2 LYS 64 HZ2 LYS 64 -20.604 -0.002 -1.711 466 HZ3 LYS 64 HZ3 LYS 64 -20.750 -1.150 -0.468 467 H ALA 65 H ALA 65 -14.308 0.498 -5.626 468 HA ALA 65 HA ALA 65 -14.899 2.742 -7.120 469 HB1 ALA 65 HB1 ALA 65 -12.824 2.441 -5.886 470 HB2 ALA 65 HB2 ALA 65 -12.509 2.899 -7.561 471 HB3 ALA 65 HB3 ALA 65 -12.298 1.224 -7.049 472 H SER 66 H SER 66 -14.120 -0.495 -8.282 473 HA SER 66 HA SER 66 -13.618 0.161 -10.965 474 HB2 SER 66 HB2 SER 66 -13.159 -2.061 -9.867 475 HB3 SER 66 HB3 SER 66 -14.884 -2.407 -9.987 476 HG SER 66 HG SER 66 -14.376 -3.131 -11.894 477 H GLN 67 H GLN 67 -16.586 -0.171 -9.189 478 HA GLN 67 HA GLN 67 -18.246 -0.372 -11.536 479 HB2 GLN 67 HB2 GLN 67 -18.876 -0.008 -8.604 480 HB3 GLN 67 HB3 GLN 67 -20.074 -0.261 -9.861 481 HG2 GLN 67 HG2 GLN 67 -19.268 -2.445 -10.319 482 HG3 GLN 67 HG3 GLN 67 -17.842 -2.189 -9.316 483 HE21 GLN 67 HE21 GLN 67 -18.013 -2.321 -7.103 484 HE22 GLN 67 HE22 GLN 67 -19.390 -3.022 -6.316 485 H LEU 68 H LEU 68 -16.950 2.095 -9.505 486 HA LEU 68 HA LEU 68 -18.780 4.139 -10.462 487 HB2 LEU 68 HB2 LEU 68 -16.439 4.126 -8.585 488 HB3 LEU 68 HB3 LEU 68 -17.061 5.638 -9.212 489 HG LEU 68 HG LEU 68 -19.281 5.090 -8.221 490 HD11 LEU 68 HD11 LEU 68 -19.035 2.651 -8.152 491 HD12 LEU 68 HD12 LEU 68 -19.464 3.322 -6.577 492 HD13 LEU 68 HD13 LEU 68 -17.805 2.820 -6.899 493 HD21 LEU 68 HD21 LEU 68 -16.961 5.131 -6.297 494 HD22 LEU 68 HD22 LEU 68 -18.628 5.563 -5.918 495 HD23 LEU 68 HD23 LEU 68 -17.703 6.537 -7.060 496 H GLY 69 H GLY 69 -15.681 2.814 -11.217 497 HA2 GLY 69 HA2 GLY 69 -14.556 3.098 -13.258 498 HA3 GLY 69 HA3 GLY 69 -15.519 4.537 -13.564 499 H VAL 70 H VAL 70 -14.033 4.183 -10.477 500 HA VAL 70 HA VAL 70 -12.136 6.315 -11.196 501 HB VAL 70 HB VAL 70 -12.120 6.936 -8.812 502 HG11 VAL 70 HG11 VAL 70 -13.676 8.035 -10.337 503 HG12 VAL 70 HG12 VAL 70 -14.368 7.892 -8.718 504 HG13 VAL 70 HG13 VAL 70 -14.886 6.798 -10.002 505 HG21 VAL 70 HG21 VAL 70 -12.637 4.762 -7.839 506 HG22 VAL 70 HG22 VAL 70 -14.259 4.828 -8.527 507 HG23 VAL 70 HG23 VAL 70 -13.784 5.980 -7.279 508 H LYS 71 H LYS 71 -10.025 6.258 -10.204 509 HA LYS 71 HA LYS 71 -9.177 3.474 -9.712 510 HB2 LYS 71 HB2 LYS 71 -7.585 5.671 -11.051 511 HB3 LYS 71 HB3 LYS 71 -7.022 4.036 -10.751 512 HG2 LYS 71 HG2 LYS 71 -7.605 4.042 -13.007 513 HG3 LYS 71 HG3 LYS 71 -8.985 3.284 -12.209 514 HD2 LYS 71 HD2 LYS 71 -10.144 5.472 -12.231 515 HD3 LYS 71 HD3 LYS 71 -8.782 6.148 -13.128 516 HE2 LYS 71 HE2 LYS 71 -9.203 4.692 -14.981 517 HE3 LYS 71 HE3 LYS 71 -10.428 3.812 -14.066 518 HZ1 LYS 71 HZ1 LYS 71 -11.434 5.380 -15.602 519 HZ2 LYS 71 HZ2 LYS 71 -10.598 6.663 -14.880 520 HZ3 LYS 71 HZ3 LYS 71 -11.773 5.818 -14.001 521 H ILE 72 H ILE 72 -6.909 3.455 -8.703 522 HA ILE 72 HA ILE 72 -6.656 5.584 -6.686 523 HB ILE 72 HB ILE 72 -5.733 3.971 -5.106 524 HG12 ILE 72 HG12 ILE 72 -6.421 1.861 -7.166 525 HG13 ILE 72 HG13 ILE 72 -4.791 2.399 -6.773 526 HG21 ILE 72 HG21 ILE 72 -8.400 3.059 -6.176 527 HG22 ILE 72 HG22 ILE 72 -8.136 4.388 -5.045 528 HG23 ILE 72 HG23 ILE 72 -7.763 2.734 -4.562 529 HD11 ILE 72 HD11 ILE 72 -5.064 1.553 -4.500 530 HD12 ILE 72 HD12 ILE 72 -5.306 0.288 -5.703 531 HD13 ILE 72 HD13 ILE 72 -6.698 1.017 -4.898 532 H ARG 73 H ARG 73 -4.406 5.908 -5.969 533 HA ARG 73 HA ARG 73 -2.597 5.827 -8.200 534 HB2 ARG 73 HB2 ARG 73 -2.829 7.503 -6.089 535 HB3 ARG 73 HB3 ARG 73 -1.567 6.444 -5.478 536 HG2 ARG 73 HG2 ARG 73 -1.472 8.022 -8.042 537 HG3 ARG 73 HG3 ARG 73 -0.628 8.409 -6.545 538 HD2 ARG 73 HD2 ARG 73 -0.207 5.931 -8.209 539 HD3 ARG 73 HD3 ARG 73 0.840 7.348 -8.198 540 HE ARG 73 HE ARG 73 0.385 5.950 -5.666 541 HH11 ARG 73 HH11 ARG 73 2.500 6.730 -8.341 542 HH12 ARG 73 HH12 ARG 73 3.935 6.162 -7.546 543 HH21 ARG 73 HH21 ARG 73 2.269 5.175 -4.620 544 HH22 ARG 73 HH22 ARG 73 3.801 5.270 -5.428 545 H ILE 74 H ILE 74 -1.831 3.881 -8.744 546 HA ILE 74 HA ILE 74 -1.558 1.802 -6.765 547 HB ILE 74 HB ILE 74 -2.551 1.194 -8.860 548 HG12 ILE 74 HG12 ILE 74 -1.059 -0.669 -9.572 549 HG13 ILE 74 HG13 ILE 74 0.229 0.030 -8.596 550 HG21 ILE 74 HG21 ILE 74 0.006 2.092 -10.180 551 HG22 ILE 74 HG22 ILE 74 -1.560 2.898 -10.275 552 HG23 ILE 74 HG23 ILE 74 -1.349 1.298 -10.986 553 HD11 ILE 74 HD11 ILE 74 -0.819 -1.791 -7.420 554 HD12 ILE 74 HD12 ILE 74 -2.399 -1.028 -7.590 555 HD13 ILE 74 HD13 ILE 74 -1.158 -0.271 -6.591 556 H LEU 75 H LEU 75 0.236 0.972 -5.930 557 HA LEU 75 HA LEU 75 2.819 1.712 -7.098 558 HB2 LEU 75 HB2 LEU 75 3.743 1.599 -4.716 559 HB3 LEU 75 HB3 LEU 75 2.876 3.035 -5.193 560 HG LEU 75 HG LEU 75 2.454 2.243 -2.852 561 HD11 LEU 75 HD11 LEU 75 0.035 2.387 -4.633 562 HD12 LEU 75 HD12 LEU 75 0.925 3.761 -3.981 563 HD13 LEU 75 HD13 LEU 75 0.068 2.667 -2.893 564 HD21 LEU 75 HD21 LEU 75 0.916 0.396 -2.483 565 HD22 LEU 75 HD22 LEU 75 2.402 -0.161 -3.254 566 HD23 LEU 75 HD23 LEU 75 0.928 0.027 -4.207 567 H HIS 76 H HIS 76 4.458 0.163 -5.505 568 HA HIS 76 HA HIS 76 3.605 -2.518 -6.319 569 HB2 HIS 76 HB2 HIS 76 6.339 -1.562 -5.425 570 HB3 HIS 76 HB3 HIS 76 5.958 -3.171 -6.031 571 HD1 HIS 76 HD1 HIS 76 7.589 -0.324 -7.160 572 HD2 HIS 76 HD2 HIS 76 4.566 -2.670 -8.811 573 HE1 HIS 76 HE1 HIS 76 7.622 0.156 -9.630 574 HE2 HIS 76 HE2 HIS 76 5.682 -1.139 -10.578 575 H ASP 77 H ASP 77 2.181 -2.995 -4.689 576 HA ASP 77 HA ASP 77 2.931 -2.646 -1.919 577 HB2 ASP 77 HB2 ASP 77 0.623 -2.176 -2.740 578 HB3 ASP 77 HB3 ASP 77 0.433 -3.887 -3.107 579 H TYR 78 H TYR 78 2.247 -4.589 -0.445 580 HA TYR 78 HA TYR 78 4.030 -6.753 -1.131 581 HB2 TYR 78 HB2 TYR 78 3.709 -5.691 1.186 582 HB3 TYR 78 HB3 TYR 78 2.218 -6.623 1.279 583 HD1 TYR 78 HD2 TYR 78 5.836 -7.114 0.520 584 HD2 TYR 78 HD1 TYR 78 2.312 -8.712 2.286 585 HE1 TYR 78 HE2 TYR 78 7.125 -9.037 1.332 586 HE2 TYR 78 HE1 TYR 78 3.596 -10.647 3.106 587 HH TYR 78 HH TYR 78 5.674 -11.845 2.541 588 H ALA 79 H ALA 79 3.489 -8.845 -1.587 589 HA ALA 79 HA ALA 79 1.093 -9.276 -2.991 590 HB1 ALA 79 HB1 ALA 79 3.073 -11.311 -1.988 591 HB2 ALA 79 HB2 ALA 79 3.166 -10.441 -3.519 592 HB3 ALA 79 HB3 ALA 79 1.849 -11.578 -3.228 593 H GLY 80 H GLY 80 1.663 -9.388 0.335 594 HA2 GLY 80 HA2 GLY 80 0.250 -11.555 1.291 595 HA3 GLY 80 HA3 GLY 80 0.362 -10.011 2.117 596 H ILE 81 H ILE 81 -1.121 -8.317 0.604 597 HA ILE 81 HA ILE 81 -3.790 -9.226 1.159 598 HB ILE 81 HB ILE 81 -3.125 -6.882 1.546 599 HG12 ILE 81 HG12 ILE 81 -5.309 -7.166 -0.529 600 HG13 ILE 81 HG13 ILE 81 -5.500 -7.471 1.192 601 HG21 ILE 81 HG21 ILE 81 -2.888 -5.340 -0.342 602 HG22 ILE 81 HG22 ILE 81 -2.982 -6.703 -1.457 603 HG23 ILE 81 HG23 ILE 81 -1.627 -6.574 -0.336 604 HD11 ILE 81 HD11 ILE 81 -6.395 -5.307 0.612 605 HD12 ILE 81 HD12 ILE 81 -4.851 -4.827 -0.090 606 HD13 ILE 81 HD13 ILE 81 -4.979 -5.114 1.645 607 H ALA 82 H ALA 82 -1.727 -9.232 -1.563 608 HA ALA 82 HA ALA 82 -3.885 -9.328 -3.511 609 HB1 ALA 82 HB1 ALA 82 -0.903 -9.502 -3.910 610 HB2 ALA 82 HB2 ALA 82 -1.868 -8.031 -4.007 611 HB3 ALA 82 HB3 ALA 82 -2.115 -9.327 -5.177 612 H PHE 83 H PHE 83 -3.026 -11.491 -1.429 613 HA PHE 83 HA PHE 83 -1.982 -13.722 -2.719 614 HB2 PHE 83 HB2 PHE 83 -2.725 -15.009 -0.855 615 HB3 PHE 83 HB3 PHE 83 -2.298 -13.417 -0.238 616 HD1 PHE 83 HD1 PHE 83 -4.206 -11.753 0.159 617 HD2 PHE 83 HD2 PHE 83 -4.822 -15.921 -0.442 618 HE1 PHE 83 HE1 PHE 83 -6.430 -11.572 1.201 619 HE2 PHE 83 HE2 PHE 83 -7.042 -15.748 0.597 620 HZ PHE 83 HZ PHE 83 -7.852 -13.573 1.418 621 H TRP 84 H TRP 84 -5.140 -12.368 -2.929 622 HA TRP 84 HA TRP 84 -6.543 -14.717 -3.703 623 HB2 TRP 84 HB2 TRP 84 -7.530 -12.548 -2.793 624 HB3 TRP 84 HB3 TRP 84 -7.286 -11.873 -4.399 625 HD1 TRP 84 HD1 TRP 84 -8.900 -12.729 -6.351 626 HE1 TRP 84 HE1 TRP 84 -11.171 -13.934 -6.292 627 HE3 TRP 84 HE3 TRP 84 -8.874 -14.280 -1.473 628 HZ2 TRP 84 HZ2 TRP 84 -12.743 -15.358 -4.428 629 HZ3 TRP 84 HZ3 TRP 84 -10.804 -15.557 -0.633 630 HH2 TRP 84 HH2 TRP 84 -12.697 -16.084 -2.082 631 H ALA 85 H ALA 85 -4.663 -12.306 -5.401 632 HA ALA 85 HA ALA 85 -5.535 -13.242 -8.023 633 HB1 ALA 85 HB1 ALA 85 -3.541 -11.111 -7.247 634 HB2 ALA 85 HB2 ALA 85 -5.222 -10.853 -7.717 635 HB3 ALA 85 HB3 ALA 85 -4.063 -11.472 -8.893 636 H THR 86 H THR 86 -2.857 -13.573 -5.824 637 HA THR 86 HA THR 86 -1.101 -14.735 -7.800 638 HB THR 86 HB THR 86 0.369 -15.209 -5.812 639 HG1 THR 86 HG1 THR 86 -0.261 -14.231 -3.816 640 HG21 THR 86 HG21 THR 86 0.932 -12.851 -5.406 641 HG22 THR 86 HG22 THR 86 -0.598 -12.368 -6.139 642 HG23 THR 86 HG23 THR 86 0.634 -13.165 -7.115 643 H GLY 87 H GLY 87 -3.189 -15.826 -5.181 644 HA2 GLY 87 HA2 GLY 87 -4.099 -17.900 -4.779 645 HA3 GLY 87 HA3 GLY 87 -3.384 -18.460 -6.286 646 H GLU 88 H GLU 88 -1.407 -16.941 -3.874 647 HA GLU 88 HA GLU 88 0.332 -19.167 -3.737 648 HB2 GLU 88 HB2 GLU 88 1.468 -17.863 -1.929 649 HB3 GLU 88 HB3 GLU 88 1.262 -16.997 -3.445 650 HG2 GLU 88 HG2 GLU 88 -0.802 -15.960 -2.406 651 HG3 GLU 88 HG3 GLU 88 -0.235 -16.620 -0.870 652 H TRP 89 H TRP 89 -2.396 -18.169 -1.825 653 HA TRP 89 HA TRP 89 -2.011 -20.534 -0.138 654 HB2 TRP 89 HB2 TRP 89 -2.859 -18.210 0.752 655 HB3 TRP 89 HB3 TRP 89 -4.398 -18.706 0.051 656 HD1 TRP 89 HD1 TRP 89 -1.914 -19.699 2.814 657 HE1 TRP 89 HE1 TRP 89 -3.143 -21.162 4.547 658 HE3 TRP 89 HE3 TRP 89 -6.388 -20.234 0.393 659 HZ2 TRP 89 HZ2 TRP 89 -5.671 -22.368 4.844 660 HZ3 TRP 89 HZ3 TRP 89 -8.160 -21.557 1.477 661 HH2 TRP 89 HH2 TRP 89 -7.805 -22.602 3.656 662 H LYS 90 H LYS 90 -3.247 -22.346 -0.467 663 HA LYS 90 HA LYS 90 -3.994 -22.818 -3.097 664 HB2 LYS 90 HB2 LYS 90 -4.890 -24.978 -2.274 665 HB3 LYS 90 HB3 LYS 90 -3.261 -24.624 -1.722 666 HG2 LYS 90 HG2 LYS 90 -4.158 -23.927 0.450 667 HG3 LYS 90 HG3 LYS 90 -5.786 -24.322 -0.110 668 HD2 LYS 90 HD2 LYS 90 -4.960 -26.167 1.184 669 HD3 LYS 90 HD3 LYS 90 -5.014 -26.655 -0.511 670 HE2 LYS 90 HE2 LYS 90 -2.574 -26.037 -0.644 671 HE3 LYS 90 HE3 LYS 90 -2.602 -25.865 1.109 672 HZ1 LYS 90 HZ1 LYS 90 -1.844 -28.035 0.659 673 HZ2 LYS 90 HZ2 LYS 90 -3.070 -28.319 -0.482 674 HZ3 LYS 90 HZ3 LYS 90 -3.455 -28.212 1.165 675 H ALA 91 H ALA 91 -5.842 -22.940 -4.206 676 HA ALA 91 HA ALA 91 -7.954 -21.235 -3.463 677 HB1 ALA 91 HB1 ALA 91 -7.855 -23.295 -5.660 678 HB2 ALA 91 HB2 ALA 91 -7.331 -21.615 -5.788 679 HB3 ALA 91 HB3 ALA 91 -9.033 -21.993 -5.519 680 H LYS 92 H LYS 92 -10.110 -21.679 -2.987 681 HA LYS 92 HA LYS 92 -10.623 -23.697 -1.130 682 HB2 LYS 92 HB2 LYS 92 -11.921 -21.515 -1.625 683 HB3 LYS 92 HB3 LYS 92 -12.772 -22.452 -2.841 684 HG2 LYS 92 HG2 LYS 92 -14.201 -22.676 -1.083 685 HG3 LYS 92 HG3 LYS 92 -13.177 -24.090 -0.821 686 HD2 LYS 92 HD2 LYS 92 -12.721 -21.413 0.494 687 HD3 LYS 92 HD3 LYS 92 -13.635 -22.726 1.235 688 HE2 LYS 92 HE2 LYS 92 -11.695 -24.139 1.263 689 HE3 LYS 92 HE3 LYS 92 -10.772 -22.967 0.323 690 HZ1 LYS 92 HZ1 LYS 92 -10.711 -21.479 2.124 691 HZ2 LYS 92 HZ2 LYS 92 -10.357 -22.999 2.796 692 HZ3 LYS 92 HZ3 LYS 92 -11.901 -22.325 2.985 693 H ASN 93 H ASN 93 -11.644 -23.467 -4.519 694 HA ASN 93 HA ASN 93 -11.162 -26.234 -4.985 695 HB2 ASN 93 HB2 ASN 93 -13.363 -26.422 -3.877 696 HB3 ASN 93 HB3 ASN 93 -14.049 -25.308 -5.057 697 HD21 ASN 93 HD21 ASN 93 -14.547 -26.043 -7.094 698 HD22 ASN 93 HD22 ASN 93 -14.455 -27.709 -7.552 699 H GLU 94 H GLU 94 -13.237 -23.600 -6.216 700 HA GLU 94 HA GLU 94 -11.701 -23.668 -8.723 701 HB2 GLU 94 HB2 GLU 94 -13.696 -24.996 -9.119 702 HB3 GLU 94 HB3 GLU 94 -14.714 -23.712 -8.483 703 HG2 GLU 94 HG2 GLU 94 -14.899 -23.621 -10.829 704 HG3 GLU 94 HG3 GLU 94 -13.877 -22.265 -10.358 705 H PHE 95 H PHE 95 -14.049 -21.936 -6.706 706 HA PHE 95 HA PHE 95 -14.334 -19.618 -8.182 707 HB2 PHE 95 HB2 PHE 95 -15.670 -20.247 -6.181 708 HB3 PHE 95 HB3 PHE 95 -14.300 -19.819 -5.164 709 HD1 PHE 95 HD2 PHE 95 -16.781 -18.461 -7.547 710 HD2 PHE 95 HD1 PHE 95 -13.934 -17.598 -4.505 711 HE1 PHE 95 HE2 PHE 95 -17.605 -16.146 -7.440 712 HE2 PHE 95 HE1 PHE 95 -14.755 -15.282 -4.388 713 HZ PHE 95 HZ PHE 95 -16.593 -14.552 -5.858 714 H THR 96 H THR 96 -11.946 -20.227 -5.609 715 HA THR 96 HA THR 96 -10.713 -17.698 -5.734 716 HB THR 96 HB THR 96 -8.928 -19.893 -4.988 717 HG1 THR 96 HG1 THR 96 -11.305 -19.618 -3.434 718 HG21 THR 96 HG21 THR 96 -10.145 -17.590 -3.452 719 HG22 THR 96 HG22 THR 96 -8.586 -17.582 -4.276 720 HG23 THR 96 HG23 THR 96 -8.838 -18.626 -2.879 721 H GLN 97 H GLN 97 -10.165 -20.701 -7.479 722 HA GLN 97 HA GLN 97 -7.691 -19.949 -8.666 723 HB2 GLN 97 HB2 GLN 97 -9.538 -22.205 -8.787 724 HB3 GLN 97 HB3 GLN 97 -8.821 -21.836 -10.348 725 HG2 GLN 97 HG2 GLN 97 -7.242 -22.274 -7.826 726 HG3 GLN 97 HG3 GLN 97 -7.589 -23.530 -9.014 727 HE21 GLN 97 HE21 GLN 97 -5.026 -22.418 -8.141 728 HE22 GLN 97 HE22 GLN 97 -4.254 -21.831 -9.575 729 H ALA 98 H ALA 98 -11.045 -20.015 -9.828 730 HA ALA 98 HA ALA 98 -10.556 -19.062 -12.417 731 HB1 ALA 98 HB1 ALA 98 -12.927 -18.492 -12.476 732 HB2 ALA 98 HB2 ALA 98 -13.027 -18.687 -10.728 733 HB3 ALA 98 HB3 ALA 98 -12.673 -20.079 -11.753 734 H TYR 99 H TYR 99 -11.113 -17.350 -9.385 735 HA TYR 99 HA TYR 99 -11.216 -14.764 -10.573 736 HB2 TYR 99 HB2 TYR 99 -11.428 -15.902 -7.926 737 HB3 TYR 99 HB3 TYR 99 -10.434 -14.449 -7.904 738 HD1 TYR 99 HD2 TYR 99 -13.753 -15.758 -8.944 739 HD2 TYR 99 HD1 TYR 99 -11.421 -12.320 -8.030 740 HE1 TYR 99 HE2 TYR 99 -15.782 -14.369 -9.014 741 HE2 TYR 99 HE1 TYR 99 -13.442 -10.922 -8.093 742 HH TYR 99 HH TYR 99 -16.579 -12.207 -8.098 743 H ALA 100 H ALA 100 -8.640 -16.793 -9.344 744 HA ALA 100 HA ALA 100 -6.625 -14.772 -9.417 745 HB1 ALA 100 HB1 ALA 100 -6.307 -17.769 -9.551 746 HB2 ALA 100 HB2 ALA 100 -6.400 -16.817 -8.070 747 HB3 ALA 100 HB3 ALA 100 -5.045 -16.596 -9.176 748 H LYS 101 H LYS 101 -7.739 -17.272 -11.660 749 HA LYS 101 HA LYS 101 -5.837 -16.823 -13.689 750 HB2 LYS 101 HB2 LYS 101 -8.684 -17.823 -13.882 751 HB3 LYS 101 HB3 LYS 101 -7.523 -17.875 -15.199 752 HG2 LYS 101 HG2 LYS 101 -7.314 -19.326 -12.571 753 HG3 LYS 101 HG3 LYS 101 -7.692 -20.034 -14.142 754 HD2 LYS 101 HD2 LYS 101 -5.474 -19.288 -14.958 755 HD3 LYS 101 HD3 LYS 101 -5.103 -18.720 -13.329 756 HE2 LYS 101 HE2 LYS 101 -4.122 -20.889 -13.628 757 HE3 LYS 101 HE3 LYS 101 -5.466 -21.025 -12.496 758 HZ1 LYS 101 HZ1 LYS 101 -6.854 -21.807 -14.364 759 HZ2 LYS 101 HZ2 LYS 101 -5.544 -22.837 -14.043 760 HZ3 LYS 101 HZ3 LYS 101 -5.487 -21.779 -15.369 761 H LEU 102 H LEU 102 -9.091 -15.518 -13.193 762 HA LEU 102 HA LEU 102 -8.709 -13.654 -15.401 763 HB2 LEU 102 HB2 LEU 102 -11.077 -14.399 -13.711 764 HB3 LEU 102 HB3 LEU 102 -11.099 -12.969 -14.722 765 HG LEU 102 HG LEU 102 -10.618 -14.467 -16.693 766 HD11 LEU 102 HD11 LEU 102 -9.728 -16.386 -15.479 767 HD12 LEU 102 HD12 LEU 102 -11.111 -16.838 -16.475 768 HD13 LEU 102 HD13 LEU 102 -11.303 -16.650 -14.732 769 HD21 LEU 102 HD21 LEU 102 -12.839 -13.590 -16.230 770 HD22 LEU 102 HD22 LEU 102 -13.169 -14.951 -15.157 771 HD23 LEU 102 HD23 LEU 102 -12.931 -15.223 -16.884 772 H MET 103 H MET 103 -7.011 -13.235 -13.204 773 HA MET 103 HA MET 103 -7.760 -11.342 -11.348 774 HB2 MET 103 HB2 MET 103 -5.434 -10.656 -11.269 775 HB3 MET 103 HB3 MET 103 -5.534 -12.401 -11.442 776 HG2 MET 103 HG2 MET 103 -5.003 -12.230 -13.796 777 HG3 MET 103 HG3 MET 103 -4.995 -10.472 -13.691 778 HE1 MET 103 HE1 MET 103 -1.219 -11.197 -14.241 779 HE2 MET 103 HE2 MET 103 -2.593 -10.198 -14.716 780 HE3 MET 103 HE3 MET 103 -2.623 -11.938 -15.011 781 H ASN 104 H ASN 104 -7.375 -10.951 -14.775 782 HA ASN 104 HA ASN 104 -6.850 -8.207 -14.944 783 HB2 ASN 104 HB2 ASN 104 -6.806 -9.938 -16.808 784 HB3 ASN 104 HB3 ASN 104 -8.546 -9.725 -16.917 785 HD21 ASN 104 HD21 ASN 104 -8.618 -8.806 -18.908 786 HD22 ASN 104 HD22 ASN 104 -7.959 -7.243 -19.269 787 H GLN 105 H GLN 105 -9.836 -9.893 -14.286 788 HA GLN 105 HA GLN 105 -11.651 -7.972 -15.162 789 HB2 GLN 105 HB2 GLN 105 -13.277 -9.038 -13.737 790 HB3 GLN 105 HB3 GLN 105 -12.284 -10.256 -14.508 791 HG2 GLN 105 HG2 GLN 105 -11.113 -10.701 -12.514 792 HG3 GLN 105 HG3 GLN 105 -11.764 -9.264 -11.726 793 HE21 GLN 105 HE21 GLN 105 -13.898 -9.259 -11.026 794 HE22 GLN 105 HE22 GLN 105 -14.769 -10.731 -10.767 795 H TYR 106 H TYR 106 -9.971 -8.228 -12.041 796 HA TYR 106 HA TYR 106 -11.191 -5.691 -11.262 797 HB2 TYR 106 HB2 TYR 106 -9.890 -6.161 -9.065 798 HB3 TYR 106 HB3 TYR 106 -11.356 -7.060 -9.417 799 HD1 TYR 106 HD2 TYR 106 -7.662 -7.265 -9.314 800 HD2 TYR 106 HD1 TYR 106 -11.314 -9.415 -9.686 801 HE1 TYR 106 HE2 TYR 106 -6.450 -9.380 -8.968 802 HE2 TYR 106 HE1 TYR 106 -10.116 -11.530 -9.332 803 HH TYR 106 HH TYR 106 -7.935 -12.460 -9.488 804 H ARG 107 H ARG 107 -8.682 -6.509 -13.084 805 HA ARG 107 HA ARG 107 -6.821 -4.512 -12.150 806 HB2 ARG 107 HB2 ARG 107 -7.034 -6.065 -14.735 807 HB3 ARG 107 HB3 ARG 107 -5.805 -4.845 -14.451 808 HG2 ARG 107 HG2 ARG 107 -6.186 -7.389 -12.893 809 HG3 ARG 107 HG3 ARG 107 -4.903 -7.046 -14.055 810 HD2 ARG 107 HD2 ARG 107 -4.156 -5.178 -12.611 811 HD3 ARG 107 HD3 ARG 107 -5.377 -5.643 -11.428 812 HE ARG 107 HE ARG 107 -3.025 -7.250 -12.181 813 HH11 ARG 107 HH11 ARG 107 -5.644 -6.534 -9.978 814 HH12 ARG 107 HH12 ARG 107 -5.027 -7.534 -8.709 815 HH21 ARG 107 HH21 ARG 107 -2.187 -8.561 -10.531 816 HH22 ARG 107 HH22 ARG 107 -3.050 -8.700 -9.026 817 H GLY 108 H GLY 108 -7.203 -2.412 -12.350 818 HA2 GLY 108 HA2 GLY 108 -7.886 -0.949 -14.535 819 HA3 GLY 108 HA3 GLY 108 -9.443 -1.484 -13.910 820 H ILE 109 H ILE 109 -9.138 -1.370 -11.237 821 HA ILE 109 HA ILE 109 -9.093 1.419 -10.630 822 HB ILE 109 HB ILE 109 -8.825 -0.754 -8.553 823 HG12 ILE 109 HG12 ILE 109 -11.450 -0.464 -8.518 824 HG13 ILE 109 HG13 ILE 109 -11.209 -0.049 -10.212 825 HG21 ILE 109 HG21 ILE 109 -10.092 0.817 -7.171 826 HG22 ILE 109 HG22 ILE 109 -10.156 1.948 -8.523 827 HG23 ILE 109 HG23 ILE 109 -8.606 1.538 -7.787 828 HD11 ILE 109 HD11 ILE 109 -10.334 -2.611 -8.899 829 HD12 ILE 109 HD12 ILE 109 -10.144 -2.194 -10.602 830 HD13 ILE 109 HD13 ILE 109 -11.756 -2.403 -9.921 831 H TYR 110 H TYR 110 -6.896 -1.255 -10.411 832 HA TYR 110 HA TYR 110 -4.663 0.558 -10.111 833 HB2 TYR 110 HB2 TYR 110 -3.696 -0.580 -8.222 834 HB3 TYR 110 HB3 TYR 110 -5.333 -0.112 -7.780 835 HD1 TYR 110 HD2 TYR 110 -7.166 -1.978 -8.117 836 HD2 TYR 110 HD1 TYR 110 -2.992 -2.746 -7.837 837 HE1 TYR 110 HE2 TYR 110 -7.639 -4.309 -7.483 838 HE2 TYR 110 HE1 TYR 110 -3.455 -5.072 -7.205 839 HH TYR 110 HH TYR 110 -5.429 -6.323 -6.101 840 H SER 111 H SER 111 -2.808 -0.244 -11.046 841 HA SER 111 HA SER 111 -2.438 -3.039 -11.540 842 HB2 SER 111 HB2 SER 111 -2.136 -2.712 -14.044 843 HB3 SER 111 HB3 SER 111 -3.804 -2.677 -13.471 844 HG SER 111 HG SER 111 -3.242 -0.232 -13.338 845 H PHE 112 H PHE 112 -0.277 -3.477 -11.565 846 HA PHE 112 HA PHE 112 1.415 -1.086 -11.400 847 HB2 PHE 112 HB2 PHE 112 2.852 -2.425 -9.841 848 HB3 PHE 112 HB3 PHE 112 1.252 -2.046 -9.222 849 HD1 PHE 112 HD1 PHE 112 -0.478 -3.827 -9.126 850 HD2 PHE 112 HD2 PHE 112 3.568 -4.657 -10.151 851 HE1 PHE 112 HE1 PHE 112 -0.850 -6.208 -8.644 852 HE2 PHE 112 HE2 PHE 112 3.203 -7.043 -9.671 853 HZ PHE 112 HZ PHE 112 0.989 -7.821 -8.916 854 H GLU 113 H GLU 113 3.222 -0.946 -12.485 855 HA GLU 113 HA GLU 113 4.274 -3.299 -13.903 856 HB2 GLU 113 HB2 GLU 113 4.079 -0.469 -14.964 857 HB3 GLU 113 HB3 GLU 113 4.908 -1.791 -15.768 858 HG2 GLU 113 HG2 GLU 113 2.751 -2.987 -15.931 859 HG3 GLU 113 HG3 GLU 113 1.953 -1.573 -15.234 860 H LYS 114 H LYS 114 6.568 -3.245 -14.236 861 HA LYS 114 HA LYS 114 8.042 -1.914 -12.184 862 HB2 LYS 114 HB2 LYS 114 8.800 -4.058 -13.062 863 HB3 LYS 114 HB3 LYS 114 8.974 -3.370 -14.670 864 HG2 LYS 114 HG2 LYS 114 11.119 -3.652 -13.503 865 HG3 LYS 114 HG3 LYS 114 10.785 -1.975 -13.934 866 HD2 LYS 114 HD2 LYS 114 10.157 -1.458 -11.672 867 HD3 LYS 114 HD3 LYS 114 10.259 -3.157 -11.209 868 HE2 LYS 114 HE2 LYS 114 12.214 -1.861 -10.472 869 HE3 LYS 114 HE3 LYS 114 12.649 -3.153 -11.586 870 HZ1 LYS 114 HZ1 LYS 114 12.387 -0.269 -12.258 871 HZ2 LYS 114 HZ2 LYS 114 12.733 -1.496 -13.374 872 HZ3 LYS 114 HZ3 LYS 114 13.832 -1.147 -12.131 873 H VAL 115 H VAL 115 7.666 0.260 -12.384 874 HA VAL 115 HA VAL 115 8.798 1.565 -14.767 875 HB VAL 115 HB VAL 115 7.313 3.479 -14.306 876 HG11 VAL 115 HG11 VAL 115 5.802 0.885 -14.583 877 HG12 VAL 115 HG12 VAL 115 6.631 1.728 -15.890 878 HG13 VAL 115 HG13 VAL 115 5.249 2.480 -15.094 879 HG21 VAL 115 HG21 VAL 115 5.433 3.213 -12.733 880 HG22 VAL 115 HG22 VAL 115 6.999 3.208 -11.922 881 HG23 VAL 115 HG23 VAL 115 6.134 1.693 -12.180 882 H LYS 116 H LYS 116 9.756 3.691 -14.360 883 HA LYS 116 HA LYS 116 11.480 3.614 -12.073 884 HB2 LYS 116 HB2 LYS 116 12.613 5.475 -13.012 885 HB3 LYS 116 HB3 LYS 116 12.141 4.468 -14.372 886 HG2 LYS 116 HG2 LYS 116 10.639 6.915 -13.466 887 HG3 LYS 116 HG3 LYS 116 11.840 6.897 -14.755 888 HD2 LYS 116 HD2 LYS 116 9.406 5.129 -14.783 889 HD3 LYS 116 HD3 LYS 116 9.402 6.762 -15.451 890 HE2 LYS 116 HE2 LYS 116 11.305 4.575 -16.286 891 HE3 LYS 116 HE3 LYS 116 9.814 4.973 -17.138 892 HZ1 LYS 116 HZ1 LYS 116 12.197 6.707 -16.788 893 HZ2 LYS 116 HZ2 LYS 116 10.717 7.261 -17.396 894 HZ3 LYS 116 HZ3 LYS 116 11.585 6.071 -18.233 895 H ALA 117 H ALA 117 11.731 5.400 -10.575 896 HA ALA 117 HA ALA 117 9.228 6.022 -9.359 897 HB1 ALA 117 HB1 ALA 117 10.567 7.122 -7.640 898 HB2 ALA 117 HB2 ALA 117 11.998 6.990 -8.661 899 HB3 ALA 117 HB3 ALA 117 11.224 5.534 -8.034 900 H HIS 118 H HIS 118 7.939 7.510 -10.226 901 HA HIS 118 HA HIS 118 9.108 10.150 -10.761 902 HB2 HIS 118 HB2 HIS 118 7.645 10.469 -12.685 903 HB3 HIS 118 HB3 HIS 118 8.664 9.057 -12.921 904 HD1 HIS 118 HD1 HIS 118 7.453 6.701 -12.764 905 HD2 HIS 118 HD2 HIS 118 4.939 10.016 -12.750 906 HE1 HIS 118 HE1 HIS 118 5.158 5.815 -13.298 907 HE2 HIS 118 HE2 HIS 118 3.634 7.828 -13.207 908 H SER 119 H SER 119 7.456 8.655 -8.634 909 HA SER 119 HA SER 119 5.257 10.586 -8.420 910 HB2 SER 119 HB2 SER 119 4.409 8.981 -6.659 911 HB3 SER 119 HB3 SER 119 4.463 8.327 -8.296 912 HG SER 119 HG SER 119 6.239 7.836 -6.141 913 H GLY 120 H GLY 120 8.163 10.989 -7.800 914 HA2 GLY 120 HA2 GLY 120 8.385 11.077 -4.933 915 HA3 GLY 120 HA3 GLY 120 9.542 11.710 -6.093 916 H ASN 121 H ASN 121 6.170 12.402 -5.245 917 HA ASN 121 HA ASN 121 6.445 15.220 -5.546 918 HB2 ASN 121 HB2 ASN 121 4.318 13.538 -4.203 919 HB3 ASN 121 HB3 ASN 121 4.188 15.275 -4.449 920 HD21 ASN 121 HD21 ASN 121 3.678 16.059 -6.444 921 HD22 ASN 121 HD22 ASN 121 3.236 15.048 -7.780 922 H GLU 122 H GLU 122 5.847 16.708 -3.708 923 HA GLU 122 HA GLU 122 7.881 16.654 -1.785 924 HB2 GLU 122 HB2 GLU 122 5.327 18.274 -1.810 925 HB3 GLU 122 HB3 GLU 122 6.753 18.629 -0.842 926 HG2 GLU 122 HG2 GLU 122 8.028 19.185 -2.736 927 HG3 GLU 122 HG3 GLU 122 6.852 18.471 -3.837 928 H PHE 123 H PHE 123 4.793 15.178 -1.740 929 HA PHE 123 HA PHE 123 4.312 15.248 1.063 930 HB2 PHE 123 HB2 PHE 123 3.211 13.388 -1.053 931 HB3 PHE 123 HB3 PHE 123 2.587 13.547 0.584 932 HD1 PHE 123 HD1 PHE 123 1.436 15.603 1.276 933 HD2 PHE 123 HD2 PHE 123 2.707 14.997 -2.741 934 HE1 PHE 123 HE1 PHE 123 -0.051 17.417 0.536 935 HE2 PHE 123 HE2 PHE 123 1.227 16.819 -3.488 936 HZ PHE 123 HZ PHE 123 -0.155 18.028 -1.849 937 H ASN 124 H ASN 124 6.206 13.181 -0.993 938 HA ASN 124 HA ASN 124 6.135 10.847 0.614 939 HB2 ASN 124 HB2 ASN 124 8.184 11.742 -1.422 940 HB3 ASN 124 HB3 ASN 124 8.156 10.150 -0.671 941 HD21 ASN 124 HD21 ASN 124 6.677 12.259 -2.961 942 HD22 ASN 124 HD22 ASN 124 5.669 11.065 -3.711 943 H ASP 125 H ASP 125 8.027 13.747 0.735 944 HA ASP 125 HA ASP 125 10.230 12.837 2.212 945 HB2 ASP 125 HB2 ASP 125 10.039 15.057 1.063 946 HB3 ASP 125 HB3 ASP 125 8.974 15.583 2.363 947 H TYR 126 H TYR 126 6.971 13.515 3.138 948 HA TYR 126 HA TYR 126 7.457 13.894 5.921 949 HB2 TYR 126 HB2 TYR 126 5.421 14.682 4.654 950 HB3 TYR 126 HB3 TYR 126 4.880 13.008 4.615 951 HD1 TYR 126 HD2 TYR 126 5.529 15.904 6.786 952 HD2 TYR 126 HD1 TYR 126 3.943 11.963 6.563 953 HE1 TYR 126 HE2 TYR 126 4.480 16.207 8.985 954 HE2 TYR 126 HE1 TYR 126 2.887 12.258 8.764 955 HH TYR 126 HH TYR 126 3.264 13.672 10.815 956 H VAL 127 H VAL 127 6.312 11.127 3.989 957 HA VAL 127 HA VAL 127 6.235 9.388 6.278 958 HB VAL 127 HB VAL 127 4.720 9.093 4.314 959 HG11 VAL 127 HG11 VAL 127 5.545 7.988 2.306 960 HG12 VAL 127 HG12 VAL 127 7.193 8.081 2.924 961 HG13 VAL 127 HG13 VAL 127 6.319 9.559 2.527 962 HG21 VAL 127 HG21 VAL 127 5.018 7.277 5.873 963 HG22 VAL 127 HG22 VAL 127 6.465 6.743 5.018 964 HG23 VAL 127 HG23 VAL 127 4.888 6.636 4.234 965 H ASP 128 H ASP 128 8.562 10.362 3.955 966 HA ASP 128 HA ASP 128 10.423 8.315 3.948 967 HB2 ASP 128 HB2 ASP 128 10.871 10.090 2.497 968 HB3 ASP 128 HB3 ASP 128 10.630 11.302 3.749 969 H MET 129 H MET 129 9.898 10.843 6.341 970 HA MET 129 HA MET 129 12.122 10.447 7.963 971 HB2 MET 129 HB2 MET 129 10.611 12.349 8.232 972 HB3 MET 129 HB3 MET 129 9.319 11.273 8.743 973 HG2 MET 129 HG2 MET 129 10.644 10.650 10.719 974 HG3 MET 129 HG3 MET 129 11.891 11.790 10.218 975 HE1 MET 129 HE1 MET 129 8.153 11.399 11.402 976 HE2 MET 129 HE2 MET 129 8.009 12.262 9.870 977 HE3 MET 129 HE3 MET 129 7.610 13.078 11.382 978 H LYS 130 H LYS 130 8.969 8.836 8.021 979 HA LYS 130 HA LYS 130 9.493 7.363 10.403 980 HB2 LYS 130 HB2 LYS 130 7.243 7.988 9.096 981 HB3 LYS 130 HB3 LYS 130 7.492 6.384 8.423 982 HG2 LYS 130 HG2 LYS 130 7.504 6.854 11.383 983 HG3 LYS 130 HG3 LYS 130 6.003 6.631 10.489 984 HD2 LYS 130 HD2 LYS 130 6.738 4.446 9.735 985 HD3 LYS 130 HD3 LYS 130 8.297 4.671 10.533 986 HE2 LYS 130 HE2 LYS 130 7.273 4.676 12.691 987 HE3 LYS 130 HE3 LYS 130 5.660 4.726 11.984 988 HZ1 LYS 130 HZ1 LYS 130 5.884 2.512 11.212 989 HZ2 LYS 130 HZ2 LYS 130 6.377 2.512 12.831 990 HZ3 LYS 130 HZ3 LYS 130 7.535 2.454 11.600 991 H ALA 131 H ALA 131 9.892 6.751 6.977 992 HA ALA 131 HA ALA 131 10.422 3.963 7.209 993 HB1 ALA 131 HB1 ALA 131 11.168 5.863 4.990 994 HB2 ALA 131 HB2 ALA 131 9.647 4.979 5.119 995 HB3 ALA 131 HB3 ALA 131 11.160 4.102 4.895 996 H LYS 132 H LYS 132 12.511 6.824 6.891 997 HA LYS 132 HA LYS 132 14.920 5.341 6.768 998 HB2 LYS 132 HB2 LYS 132 14.448 8.240 7.488 999 HB3 LYS 132 HB3 LYS 132 16.023 7.529 7.156 1000 HG2 LYS 132 HG2 LYS 132 13.721 7.673 5.219 1001 HG3 LYS 132 HG3 LYS 132 15.145 8.718 5.216 1002 HD2 LYS 132 HD2 LYS 132 16.560 6.999 4.552 1003 HD3 LYS 132 HD3 LYS 132 15.447 5.740 5.087 1004 HE2 LYS 132 HE2 LYS 132 15.517 5.852 2.662 1005 HE3 LYS 132 HE3 LYS 132 13.928 6.309 3.266 1006 HZ1 LYS 132 HZ1 LYS 132 14.789 7.743 1.457 1007 HZ2 LYS 132 HZ2 LYS 132 16.020 8.271 2.501 1008 HZ3 LYS 132 HZ3 LYS 132 14.392 8.590 2.870 1009 H SER 133 H SER 133 13.024 6.568 9.436 1010 HA SER 133 HA SER 133 14.990 6.363 11.442 1011 HB2 SER 133 HB2 SER 133 11.984 6.069 11.663 1012 HB3 SER 133 HB3 SER 133 13.087 6.309 13.018 1013 HG SER 133 HG SER 133 12.468 8.099 10.909 1014 H ALA 134 H ALA 134 12.863 3.995 9.954 1015 HA ALA 134 HA ALA 134 13.416 1.931 11.873 1016 HB1 ALA 134 HB1 ALA 134 12.166 1.785 9.132 1017 HB2 ALA 134 HB2 ALA 134 11.311 1.958 10.665 1018 HB3 ALA 134 HB3 ALA 134 12.201 0.474 10.313 1019 H LEU 135 H LEU 135 15.084 3.228 9.224 1020 HA LEU 135 HA LEU 135 16.527 0.781 8.601 1021 HB2 LEU 135 HB2 LEU 135 16.798 3.592 7.532 1022 HB3 LEU 135 HB3 LEU 135 17.725 2.218 6.964 1023 HG LEU 135 HG LEU 135 14.722 2.468 6.771 1024 HD11 LEU 135 HD11 LEU 135 15.111 2.781 4.376 1025 HD12 LEU 135 HD12 LEU 135 16.852 2.781 4.660 1026 HD13 LEU 135 HD13 LEU 135 15.850 4.072 5.325 1027 HD21 LEU 135 HD21 LEU 135 15.423 0.162 6.926 1028 HD22 LEU 135 HD22 LEU 135 16.646 0.421 5.682 1029 HD23 LEU 135 HD23 LEU 135 14.933 0.523 5.270 1030 H GLY 136 H GLY 136 16.695 3.292 10.812 1031 HA2 GLY 136 HA2 GLY 136 18.291 3.216 12.585 1032 HA3 GLY 136 HA3 GLY 136 19.447 2.522 11.462 1033 H ILE 137 H ILE 137 17.597 5.171 10.329 1034 HA ILE 137 HA ILE 137 19.954 6.876 10.354 1035 HB ILE 137 HB ILE 137 17.273 7.062 8.991 1036 HG12 ILE 137 HG12 ILE 137 18.757 7.327 6.969 1037 HG13 ILE 137 HG13 ILE 137 20.136 7.018 8.015 1038 HG21 ILE 137 HG21 ILE 137 19.324 9.268 9.083 1039 HG22 ILE 137 HG22 ILE 137 17.735 9.297 9.846 1040 HG23 ILE 137 HG23 ILE 137 17.868 9.242 8.087 1041 HD11 ILE 137 HD11 ILE 137 19.240 4.800 8.522 1042 HD12 ILE 137 HD12 ILE 137 19.508 5.031 6.794 1043 HD13 ILE 137 HD13 ILE 137 17.874 5.115 7.453 1044 H ARG 138 H ARG 138 20.219 8.618 11.627 1045 HA ARG 138 HA ARG 138 19.923 10.140 13.279 1046 HB2 ARG 138 HB2 ARG 138 17.004 9.603 12.738 1047 HB3 ARG 138 HB3 ARG 138 17.552 10.758 13.944 1048 HG2 ARG 138 HG2 ARG 138 18.568 12.124 12.291 1049 HG3 ARG 138 HG3 ARG 138 18.332 10.898 11.045 1050 HD2 ARG 138 HD2 ARG 138 16.703 12.748 10.899 1051 HD3 ARG 138 HD3 ARG 138 15.948 11.177 11.152 1052 HE ARG 138 HE ARG 138 16.265 12.272 13.661 1053 HH11 ARG 138 HH11 ARG 138 14.646 13.210 10.697 1054 HH12 ARG 138 HH12 ARG 138 13.335 13.996 11.528 1055 HH21 ARG 138 HH21 ARG 138 14.537 13.333 14.743 1056 HH22 ARG 138 HH22 ARG 138 13.269 14.066 13.797 1057 H ASP 139 H ASP 139 20.780 7.809 14.098 1058 HA ASP 139 HA ASP 139 19.155 6.846 16.301 1059 HB2 ASP 139 HB2 ASP 139 20.987 5.273 16.725 1060 HB3 ASP 139 HB3 ASP 139 20.514 5.234 15.031 1061 H LEU 140 H LEU 140 19.559 7.173 18.462 1062 HA LEU 140 HA LEU 140 21.123 9.562 19.041 1063 HB2 LEU 140 HB2 LEU 140 19.195 8.014 20.774 1064 HB3 LEU 140 HB3 LEU 140 19.981 9.513 21.230 1065 HG LEU 140 HG LEU 140 18.022 9.193 18.955 1066 HD11 LEU 140 HD11 LEU 140 17.698 10.475 21.662 1067 HD12 LEU 140 HD12 LEU 140 16.966 8.958 21.140 1068 HD13 LEU 140 HD13 LEU 140 16.504 10.474 20.366 1069 HD21 LEU 140 HD21 LEU 140 19.274 11.684 20.110 1070 HD22 LEU 140 HD22 LEU 140 18.084 11.613 18.809 1071 HD23 LEU 140 HD23 LEU 140 19.700 10.951 18.561 1072 H GLU 141 H GLU 141 20.532 6.636 20.956 1073 HA GLU 141 HA GLU 141 23.413 6.588 21.596 1074 HB2 GLU 141 HB2 GLU 141 21.119 5.570 23.275 1075 HB3 GLU 141 HB3 GLU 141 22.815 5.568 23.727 1076 HG2 GLU 141 HG2 GLU 141 22.844 7.981 23.754 1077 HG3 GLU 141 HG3 GLU 141 21.165 8.030 23.215 1078 H HIS 142 H HIS 142 20.772 4.861 20.286 1079 HA HIS 142 HA HIS 142 21.855 2.240 20.794 1080 HB2 HIS 142 HB2 HIS 142 19.510 3.198 19.156 1081 HB3 HIS 142 HB3 HIS 142 20.007 1.509 19.205 1082 HD1 HIS 142 HD1 HIS 142 17.552 1.162 20.207 1083 HD2 HIS 142 HD2 HIS 142 20.256 3.176 22.646 1084 HE1 HIS 142 HE1 HIS 142 16.556 1.111 22.514 1085 HE2 HIS 142 HE2 HIS 142 18.311 2.136 24.002 1086 H HIS 143 H HIS 143 23.834 2.179 19.896 1087 HA HIS 143 HA HIS 143 23.925 1.732 17.033 1088 HB2 HIS 143 HB2 HIS 143 24.451 4.235 17.647 1089 HB3 HIS 143 HB3 HIS 143 25.995 3.581 18.180 1090 HD1 HIS 143 HD1 HIS 143 24.447 5.028 15.344 1091 HD2 HIS 143 HD2 HIS 143 27.230 1.991 15.905 1092 HE1 HIS 143 HE1 HIS 143 25.625 4.770 13.134 1093 HE2 HIS 143 HE2 HIS 143 27.472 3.110 13.584 1094 H HIS 144 H HIS 144 26.063 2.267 19.834 1095 HA HIS 144 HA HIS 144 26.493 -0.557 20.082 1096 HB2 HIS 144 HB2 HIS 144 28.653 -0.781 19.387 1097 HB3 HIS 144 HB3 HIS 144 28.248 0.583 18.361 1098 HD1 HIS 144 HD1 HIS 144 29.169 2.961 19.179 1099 HD2 HIS 144 HD2 HIS 144 30.661 -0.357 21.197 1100 HE1 HIS 144 HE1 HIS 144 31.223 3.763 20.388 1101 HE2 HIS 144 HE2 HIS 144 32.197 1.707 21.476 1102 H HIS 145 H HIS 145 26.709 -1.020 22.218 1103 HA HIS 145 HA HIS 145 27.426 1.249 23.957 1104 HB2 HIS 145 HB2 HIS 145 25.009 0.612 24.106 1105 HB3 HIS 145 HB3 HIS 145 25.512 -0.971 24.694 1106 HD1 HIS 145 HD1 HIS 145 25.755 -1.180 27.149 1107 HD2 HIS 145 HD2 HIS 145 25.988 2.775 25.886 1108 HE1 HIS 145 HE1 HIS 145 25.910 0.197 29.248 1109 HE2 HIS 145 HE2 HIS 145 26.284 2.559 28.444 1110 H HIS 146 H HIS 146 29.489 0.801 24.214 1111 HA HIS 146 HA HIS 146 30.485 -0.925 26.109 1112 HB2 HIS 146 HB2 HIS 146 30.280 -2.194 23.426 1113 HB3 HIS 146 HB3 HIS 146 31.847 -2.334 24.215 1114 HD1 HIS 146 HD1 HIS 146 29.714 -4.676 23.652 1115 HD2 HIS 146 HD2 HIS 146 30.493 -2.807 27.290 1116 HE1 HIS 146 HE1 HIS 146 28.997 -6.306 25.425 1117 HE2 HIS 146 HE2 HIS 146 29.361 -5.113 27.607 1118 H HIS 147 H HIS 147 33.052 -1.447 24.944 1119 HA HIS 147 HA HIS 147 34.093 1.226 24.714 1120 HB2 HIS 147 HB2 HIS 147 35.438 -1.466 24.392 1121 HB3 HIS 147 HB3 HIS 147 36.282 0.074 24.326 1122 HD1 HIS 147 HD1 HIS 147 36.385 -2.432 26.487 1123 HD2 HIS 147 HD2 HIS 147 34.964 1.445 27.006 1124 HE1 HIS 147 HE1 HIS 147 36.503 -1.986 28.963 1125 HE2 HIS 147 HE2 HIS 147 35.540 0.321 29.267 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -13.499 21.178 0.438 2 H2 MET 1 H2 MET 1 -11.942 21.843 0.308 3 H3 MET 1 H3 MET 1 -12.336 20.862 1.632 4 HA MET 1 HA MET 1 -12.141 20.014 -1.195 5 HB2 MET 1 HB2 MET 1 -10.448 19.424 1.243 6 HB3 MET 1 HB3 MET 1 -10.316 18.538 -0.270 7 HG2 MET 1 HG2 MET 1 -9.819 21.483 0.111 8 HG3 MET 1 HG3 MET 1 -8.591 20.232 -0.080 9 HE1 MET 1 HE1 MET 1 -8.372 22.209 -3.461 10 HE2 MET 1 HE2 MET 1 -7.480 21.632 -2.053 11 HE3 MET 1 HE3 MET 1 -8.714 22.878 -1.866 12 H ASP 2 H ASP 2 -12.444 17.751 -1.538 13 HA ASP 2 HA ASP 2 -13.798 16.216 0.535 14 HB2 ASP 2 HB2 ASP 2 -15.534 17.640 -0.719 15 HB3 ASP 2 HB3 ASP 2 -15.194 16.625 -2.115 16 H ASP 3 H ASP 3 -12.708 16.510 -2.774 17 HA ASP 3 HA ASP 3 -11.497 15.201 -4.147 18 HB2 ASP 3 HB2 ASP 3 -11.041 13.436 -1.740 19 HB3 ASP 3 HB3 ASP 3 -10.154 13.364 -3.258 20 H ARG 4 H ARG 4 -13.375 14.722 -5.327 21 HA ARG 4 HA ARG 4 -14.311 11.947 -4.967 22 HB2 ARG 4 HB2 ARG 4 -15.722 14.249 -6.334 23 HB3 ARG 4 HB3 ARG 4 -16.353 12.616 -6.152 24 HG2 ARG 4 HG2 ARG 4 -16.393 12.881 -3.736 25 HG3 ARG 4 HG3 ARG 4 -15.715 14.501 -3.894 26 HD2 ARG 4 HD2 ARG 4 -17.696 15.187 -5.176 27 HD3 ARG 4 HD3 ARG 4 -18.377 13.573 -4.965 28 HE ARG 4 HE ARG 4 -17.738 14.578 -2.437 29 HH11 ARG 4 HH11 ARG 4 -19.948 15.331 -5.068 30 HH12 ARG 4 HH12 ARG 4 -21.183 15.958 -4.008 31 HH21 ARG 4 HH21 ARG 4 -19.342 15.402 -1.071 32 HH22 ARG 4 HH22 ARG 4 -20.824 16.022 -1.734 33 H THR 5 H THR 5 -12.143 13.613 -6.601 34 HA THR 5 HA THR 5 -12.560 12.110 -9.090 35 HB THR 5 HB THR 5 -11.315 14.012 -10.225 36 HG1 THR 5 HG1 THR 5 -10.586 14.970 -8.213 37 HG21 THR 5 HG21 THR 5 -13.331 15.428 -10.389 38 HG22 THR 5 HG22 THR 5 -14.026 14.572 -9.012 39 HG23 THR 5 HG23 THR 5 -13.707 13.710 -10.516 40 H GLU 6 H GLU 6 -11.218 10.437 -8.595 41 HA GLU 6 HA GLU 6 -9.291 9.260 -8.675 42 HB2 GLU 6 HB2 GLU 6 -8.640 10.712 -10.508 43 HB3 GLU 6 HB3 GLU 6 -8.059 11.925 -9.377 44 HG2 GLU 6 HG2 GLU 6 -6.258 10.546 -8.691 45 HG3 GLU 6 HG3 GLU 6 -6.913 9.154 -9.554 46 H TYR 7 H TYR 7 -8.317 8.406 -6.994 47 HA TYR 7 HA TYR 7 -7.714 10.081 -4.675 48 HB2 TYR 7 HB2 TYR 7 -7.793 7.074 -5.011 49 HB3 TYR 7 HB3 TYR 7 -7.364 7.891 -3.513 50 HD1 TYR 7 HD1 TYR 7 -9.069 9.112 -2.230 51 HD2 TYR 7 HD2 TYR 7 -10.090 6.919 -5.731 52 HE1 TYR 7 HE1 TYR 7 -11.438 9.171 -1.572 53 HE2 TYR 7 HE2 TYR 7 -12.460 6.979 -5.080 54 HH TYR 7 HH TYR 7 -13.777 7.211 -2.988 55 H ASP 8 H ASP 8 -5.680 10.588 -4.098 56 HA ASP 8 HA ASP 8 -3.520 9.579 -5.781 57 HB2 ASP 8 HB2 ASP 8 -3.789 12.039 -5.458 58 HB3 ASP 8 HB3 ASP 8 -3.445 11.815 -3.746 59 H VAL 9 H VAL 9 -2.130 8.141 -5.094 60 HA VAL 9 HA VAL 9 -1.752 7.720 -2.212 61 HB VAL 9 HB VAL 9 -1.918 5.496 -4.264 62 HG11 VAL 9 HG11 VAL 9 -1.867 4.011 -2.304 63 HG12 VAL 9 HG12 VAL 9 -1.633 5.415 -1.262 64 HG13 VAL 9 HG13 VAL 9 -0.401 4.982 -2.449 65 HG21 VAL 9 HG21 VAL 9 -4.127 6.438 -3.887 66 HG22 VAL 9 HG22 VAL 9 -3.916 6.281 -2.142 67 HG23 VAL 9 HG23 VAL 9 -4.006 4.837 -3.155 68 H TYR 10 H TYR 10 0.374 7.543 -1.622 69 HA TYR 10 HA TYR 10 2.304 7.252 -3.817 70 HB2 TYR 10 HB2 TYR 10 3.843 8.755 -2.633 71 HB3 TYR 10 HB3 TYR 10 2.343 9.562 -3.064 72 HD1 TYR 10 HD1 TYR 10 0.726 10.192 -1.313 73 HD2 TYR 10 HD2 TYR 10 4.480 8.429 -0.342 74 HE1 TYR 10 HE1 TYR 10 0.488 10.967 1.008 75 HE2 TYR 10 HE2 TYR 10 4.245 9.197 1.982 76 HH TYR 10 HH TYR 10 1.358 10.325 3.261 77 H THR 11 H THR 11 4.307 6.286 -3.291 78 HA THR 11 HA THR 11 4.644 4.865 -0.830 79 HB THR 11 HB THR 11 2.938 3.447 -1.927 80 HG1 THR 11 HG1 THR 11 4.391 2.310 -0.665 81 HG21 THR 11 HG21 THR 11 3.432 3.967 -4.256 82 HG22 THR 11 HG22 THR 11 3.490 2.225 -3.980 83 HG23 THR 11 HG23 THR 11 4.987 3.147 -4.122 84 H ASP 12 H ASP 12 6.498 3.085 -1.398 85 HA ASP 12 HA ASP 12 8.702 2.812 -1.816 86 HB2 ASP 12 HB2 ASP 12 8.174 2.856 -4.184 87 HB3 ASP 12 HB3 ASP 12 8.157 4.617 -4.188 88 H GLY 13 H GLY 13 10.777 3.850 -1.557 89 HA2 GLY 13 HA2 GLY 13 11.097 6.607 -1.212 90 HA3 GLY 13 HA3 GLY 13 10.653 5.921 0.344 91 H SER 14 H SER 14 12.004 3.975 1.013 92 HA SER 14 HA SER 14 14.786 4.526 0.272 93 HB2 SER 14 HB2 SER 14 14.056 5.701 2.390 94 HB3 SER 14 HB3 SER 14 13.873 4.104 3.118 95 HG SER 14 HG SER 14 16.281 4.836 1.845 96 H TYR 15 H TYR 15 15.618 2.742 -0.524 97 HA TYR 15 HA TYR 15 15.410 0.309 1.128 98 HB2 TYR 15 HB2 TYR 15 14.467 0.107 -1.242 99 HB3 TYR 15 HB3 TYR 15 16.107 0.373 -1.821 100 HD1 TYR 15 HD2 TYR 15 17.781 -1.262 -0.129 101 HD2 TYR 15 HD1 TYR 15 13.878 -2.091 -1.606 102 HE1 TYR 15 HE2 TYR 15 18.223 -3.668 0.073 103 HE2 TYR 15 HE1 TYR 15 14.312 -4.503 -1.402 104 HH TYR 15 HH TYR 15 16.810 -5.775 0.372 105 H VAL 16 H VAL 16 17.242 0.301 2.331 106 HA VAL 16 HA VAL 16 19.775 0.894 1.000 107 HB VAL 16 HB VAL 16 19.021 3.036 1.939 108 HG11 VAL 16 HG11 VAL 16 19.068 1.615 4.596 109 HG12 VAL 16 HG12 VAL 16 17.639 2.221 3.759 110 HG13 VAL 16 HG13 VAL 16 18.853 3.351 4.363 111 HG21 VAL 16 HG21 VAL 16 21.407 2.619 1.826 112 HG22 VAL 16 HG22 VAL 16 21.369 1.842 3.408 113 HG23 VAL 16 HG23 VAL 16 21.020 3.564 3.263 114 H ASN 17 H ASN 17 21.459 -0.260 1.715 115 HA ASN 17 HA ASN 17 22.741 -1.710 2.900 116 HB2 ASN 17 HB2 ASN 17 21.018 -0.782 5.207 117 HB3 ASN 17 HB3 ASN 17 22.461 -1.772 5.382 118 HD21 ASN 17 HD21 ASN 17 23.933 -0.420 3.289 119 HD22 ASN 17 HD22 ASN 17 24.369 1.129 3.919 120 H GLY 18 H GLY 18 20.266 -2.651 1.612 121 HA2 GLY 18 HA2 GLY 18 19.321 -4.750 1.352 122 HA3 GLY 18 HA3 GLY 18 20.261 -5.300 2.730 123 H GLN 19 H GLN 19 18.577 -2.533 3.536 124 HA GLN 19 HA GLN 19 16.591 -4.090 5.008 125 HB2 GLN 19 HB2 GLN 19 17.197 -1.128 5.148 126 HB3 GLN 19 HB3 GLN 19 16.179 -2.037 6.254 127 HG2 GLN 19 HG2 GLN 19 19.145 -2.381 5.898 128 HG3 GLN 19 HG3 GLN 19 18.349 -1.540 7.225 129 HE21 GLN 19 HE21 GLN 19 20.139 -3.815 7.306 130 HE22 GLN 19 HE22 GLN 19 19.268 -5.089 8.087 131 H TYR 20 H TYR 20 14.466 -4.088 4.492 132 HA TYR 20 HA TYR 20 13.388 -1.955 2.847 133 HB2 TYR 20 HB2 TYR 20 12.430 -3.415 1.180 134 HB3 TYR 20 HB3 TYR 20 14.169 -3.667 1.228 135 HD1 TYR 20 HD1 TYR 20 15.051 -5.734 2.437 136 HD2 TYR 20 HD2 TYR 20 10.939 -5.193 1.482 137 HE1 TYR 20 HE1 TYR 20 14.678 -8.153 2.681 138 HE2 TYR 20 HE2 TYR 20 10.557 -7.606 1.729 139 HH TYR 20 HH TYR 20 12.808 -9.692 3.153 140 H ALA 21 H ALA 21 11.093 -1.881 2.847 141 HA ALA 21 HA ALA 21 9.610 -3.647 4.578 142 HB1 ALA 21 HB1 ALA 21 8.849 -1.862 6.091 143 HB2 ALA 21 HB2 ALA 21 9.975 -0.741 5.324 144 HB3 ALA 21 HB3 ALA 21 10.587 -2.130 6.222 145 H TRP 22 H TRP 22 7.272 -2.857 4.689 146 HA TRP 22 HA TRP 22 6.521 -1.869 2.032 147 HB2 TRP 22 HB2 TRP 22 4.390 -2.523 3.977 148 HB3 TRP 22 HB3 TRP 22 4.507 -2.920 2.275 149 HD1 TRP 22 HD1 TRP 22 6.778 -4.136 5.187 150 HE1 TRP 22 HE1 TRP 22 6.669 -6.697 5.265 151 HE3 TRP 22 HE3 TRP 22 3.402 -4.903 1.421 152 HZ2 TRP 22 HZ2 TRP 22 5.326 -8.747 3.925 153 HZ3 TRP 22 HZ3 TRP 22 2.761 -7.220 0.878 154 HH2 TRP 22 HH2 TRP 22 3.714 -9.107 2.102 155 H ALA 23 H ALA 23 5.781 0.206 1.796 156 HA ALA 23 HA ALA 23 4.697 1.520 4.175 157 HB1 ALA 23 HB1 ALA 23 6.824 2.739 2.417 158 HB2 ALA 23 HB2 ALA 23 7.041 2.181 4.076 159 HB3 ALA 23 HB3 ALA 23 5.985 3.555 3.738 160 H TYR 24 H TYR 24 2.951 2.723 3.776 161 HA TYR 24 HA TYR 24 2.414 3.737 1.107 162 HB2 TYR 24 HB2 TYR 24 0.492 1.845 2.503 163 HB3 TYR 24 HB3 TYR 24 0.151 2.734 1.026 164 HD1 TYR 24 HD1 TYR 24 1.302 2.099 -1.081 165 HD2 TYR 24 HD2 TYR 24 1.724 -0.185 2.480 166 HE1 TYR 24 HE1 TYR 24 2.135 0.200 -2.403 167 HE2 TYR 24 HE2 TYR 24 2.566 -2.087 1.170 168 HH TYR 24 HH TYR 24 3.528 -1.811 -2.063 169 H ALA 25 H ALA 25 0.973 5.450 1.112 170 HA ALA 25 HA ALA 25 -0.505 6.041 3.541 171 HB1 ALA 25 HB1 ALA 25 1.428 8.036 2.367 172 HB2 ALA 25 HB2 ALA 25 1.642 7.171 3.888 173 HB3 ALA 25 HB3 ALA 25 0.319 8.323 3.708 174 H PHE 26 H PHE 26 -2.466 6.632 3.018 175 HA PHE 26 HA PHE 26 -3.068 7.294 0.241 176 HB2 PHE 26 HB2 PHE 26 -4.962 6.788 2.554 177 HB3 PHE 26 HB3 PHE 26 -5.392 6.864 0.849 178 HD1 PHE 26 HD1 PHE 26 -4.566 5.079 -0.698 179 HD2 PHE 26 HD2 PHE 26 -4.163 4.782 3.534 180 HE1 PHE 26 HE1 PHE 26 -4.177 2.660 -0.903 181 HE2 PHE 26 HE2 PHE 26 -3.771 2.365 3.329 182 HZ PHE 26 HZ PHE 26 -3.779 1.300 1.106 183 H VAL 27 H VAL 27 -3.112 9.385 -0.339 184 HA VAL 27 HA VAL 27 -3.452 11.352 1.815 185 HB VAL 27 HB VAL 27 -1.272 11.471 0.786 186 HG11 VAL 27 HG11 VAL 27 -1.789 10.501 -1.382 187 HG12 VAL 27 HG12 VAL 27 -0.954 12.044 -1.559 188 HG13 VAL 27 HG13 VAL 27 -2.695 11.949 -1.823 189 HG21 VAL 27 HG21 VAL 27 -1.235 13.814 0.128 190 HG22 VAL 27 HG22 VAL 27 -2.289 13.561 1.520 191 HG23 VAL 27 HG23 VAL 27 -2.986 13.790 -0.084 192 H LYS 28 H LYS 28 -5.133 12.588 1.873 193 HA LYS 28 HA LYS 28 -6.319 13.857 -0.329 194 HB2 LYS 28 HB2 LYS 28 -8.507 12.883 -0.404 195 HB3 LYS 28 HB3 LYS 28 -7.338 11.603 -0.683 196 HG2 LYS 28 HG2 LYS 28 -7.685 10.688 1.461 197 HG3 LYS 28 HG3 LYS 28 -8.567 12.118 2.008 198 HD2 LYS 28 HD2 LYS 28 -9.640 10.721 -0.371 199 HD3 LYS 28 HD3 LYS 28 -9.775 9.867 1.165 200 HE2 LYS 28 HE2 LYS 28 -11.774 11.219 0.647 201 HE3 LYS 28 HE3 LYS 28 -10.987 11.709 2.141 202 HZ1 LYS 28 HZ1 LYS 28 -10.755 13.755 1.363 203 HZ2 LYS 28 HZ2 LYS 28 -11.668 13.320 0.001 204 HZ3 LYS 28 HZ3 LYS 28 -9.978 13.217 -0.046 205 H ASP 29 H ASP 29 -8.070 15.272 0.358 206 HA ASP 29 HA ASP 29 -9.063 16.739 1.794 207 HB2 ASP 29 HB2 ASP 29 -8.000 15.152 4.141 208 HB3 ASP 29 HB3 ASP 29 -9.329 16.303 4.139 209 H GLY 30 H GLY 30 -6.137 16.550 0.987 210 HA2 GLY 30 HA2 GLY 30 -4.439 18.122 1.065 211 HA3 GLY 30 HA3 GLY 30 -5.315 18.960 2.338 212 H LYS 31 H LYS 31 -5.102 15.770 3.165 213 HA LYS 31 HA LYS 31 -2.505 15.962 4.456 214 HB2 LYS 31 HB2 LYS 31 -3.724 15.213 6.653 215 HB3 LYS 31 HB3 LYS 31 -3.618 16.916 6.239 216 HG2 LYS 31 HG2 LYS 31 -5.814 16.652 6.929 217 HG3 LYS 31 HG3 LYS 31 -5.928 16.603 5.172 218 HD2 LYS 31 HD2 LYS 31 -7.322 14.871 6.007 219 HD3 LYS 31 HD3 LYS 31 -5.882 14.090 5.352 220 HE2 LYS 31 HE2 LYS 31 -4.968 13.796 7.548 221 HE3 LYS 31 HE3 LYS 31 -6.262 14.756 8.266 222 HZ1 LYS 31 HZ1 LYS 31 -7.844 13.079 7.733 223 HZ2 LYS 31 HZ2 LYS 31 -6.540 12.307 8.497 224 HZ3 LYS 31 HZ3 LYS 31 -6.716 12.208 6.820 225 H VAL 32 H VAL 32 -2.321 13.843 5.954 226 HA VAL 32 HA VAL 32 -2.673 11.655 4.105 227 HB VAL 32 HB VAL 32 -1.617 11.608 6.939 228 HG11 VAL 32 HG11 VAL 32 -2.339 9.419 6.165 229 HG12 VAL 32 HG12 VAL 32 -0.580 9.491 6.285 230 HG13 VAL 32 HG13 VAL 32 -1.360 9.597 4.707 231 HG21 VAL 32 HG21 VAL 32 -0.282 13.085 5.541 232 HG22 VAL 32 HG22 VAL 32 -0.127 11.820 4.324 233 HG23 VAL 32 HG23 VAL 32 0.611 11.610 5.910 234 H HIS 33 H HIS 33 -4.500 10.538 3.967 235 HA HIS 33 HA HIS 33 -6.529 10.783 6.006 236 HB2 HIS 33 HB2 HIS 33 -6.892 10.709 3.453 237 HB3 HIS 33 HB3 HIS 33 -6.662 8.970 3.601 238 HD1 HIS 33 HD1 HIS 33 -9.143 11.687 4.181 239 HD2 HIS 33 HD2 HIS 33 -8.746 7.613 4.988 240 HE1 HIS 33 HE1 HIS 33 -11.433 10.887 4.840 241 HE2 HIS 33 HE2 HIS 33 -11.208 8.401 5.140 242 H TYR 34 H TYR 34 -4.283 8.348 4.837 243 HA TYR 34 HA TYR 34 -4.453 7.009 7.380 244 HB2 TYR 34 HB2 TYR 34 -6.037 5.989 5.317 245 HB3 TYR 34 HB3 TYR 34 -4.629 4.936 5.373 246 HD1 TYR 34 HD1 TYR 34 -3.977 3.941 7.622 247 HD2 TYR 34 HD2 TYR 34 -7.752 5.765 6.911 248 HE1 TYR 34 HE1 TYR 34 -4.894 2.797 9.592 249 HE2 TYR 34 HE2 TYR 34 -8.679 4.620 8.879 250 HH TYR 34 HH TYR 34 -6.741 3.119 11.202 251 H GLU 35 H GLU 35 -2.672 5.772 7.847 252 HA GLU 35 HA GLU 35 -0.533 5.520 5.893 253 HB2 GLU 35 HB2 GLU 35 -0.197 7.781 6.701 254 HB3 GLU 35 HB3 GLU 35 -0.343 7.247 8.368 255 HG2 GLU 35 HG2 GLU 35 1.721 5.794 7.857 256 HG3 GLU 35 HG3 GLU 35 1.923 6.847 6.456 257 H ASP 36 H ASP 36 0.609 3.694 6.278 258 HA ASP 36 HA ASP 36 1.337 2.878 8.913 259 HB2 ASP 36 HB2 ASP 36 -1.064 1.997 8.658 260 HB3 ASP 36 HB3 ASP 36 -0.403 0.884 7.464 261 H ALA 37 H ALA 37 2.653 0.809 8.820 262 HA ALA 37 HA ALA 37 3.705 0.131 6.211 263 HB1 ALA 37 HB1 ALA 37 4.874 2.229 6.724 264 HB2 ALA 37 HB2 ALA 37 5.983 0.856 6.679 265 HB3 ALA 37 HB3 ALA 37 5.468 1.524 8.230 266 H ASP 38 H ASP 38 4.157 -1.997 6.251 267 HA ASP 38 HA ASP 38 4.662 -3.326 8.802 268 HB2 ASP 38 HB2 ASP 38 3.142 -4.354 6.982 269 HB3 ASP 38 HB3 ASP 38 4.616 -4.637 6.075 270 H VAL 39 H VAL 39 6.513 -4.888 8.887 271 HA VAL 39 HA VAL 39 8.889 -3.635 7.753 272 HB VAL 39 HB VAL 39 10.095 -5.292 9.248 273 HG11 VAL 39 HG11 VAL 39 8.213 -3.326 10.542 274 HG12 VAL 39 HG12 VAL 39 9.805 -2.959 9.875 275 HG13 VAL 39 HG13 VAL 39 9.660 -4.004 11.289 276 HG21 VAL 39 HG21 VAL 39 8.780 -6.262 11.087 277 HG22 VAL 39 HG22 VAL 39 8.334 -6.928 9.516 278 HG23 VAL 39 HG23 VAL 39 7.303 -5.723 10.290 279 H GLY 40 H GLY 40 10.507 -4.912 6.659 280 HA2 GLY 40 HA2 GLY 40 9.293 -6.553 4.665 281 HA3 GLY 40 HA3 GLY 40 10.998 -6.159 4.788 282 H LYS 41 H LYS 41 8.492 -8.226 6.187 283 HA LYS 41 HA LYS 41 10.505 -10.357 6.437 284 HB2 LYS 41 HB2 LYS 41 8.043 -10.328 8.151 285 HB3 LYS 41 HB3 LYS 41 9.598 -11.092 8.455 286 HG2 LYS 41 HG2 LYS 41 10.546 -8.777 8.738 287 HG3 LYS 41 HG3 LYS 41 8.889 -8.184 8.706 288 HD2 LYS 41 HD2 LYS 41 9.442 -8.422 10.993 289 HD3 LYS 41 HD3 LYS 41 8.406 -9.794 10.597 290 HE2 LYS 41 HE2 LYS 41 10.260 -10.540 11.950 291 HE3 LYS 41 HE3 LYS 41 10.412 -11.195 10.322 292 HZ1 LYS 41 HZ1 LYS 41 11.858 -8.801 11.330 293 HZ2 LYS 41 HZ2 LYS 41 12.051 -9.525 9.806 294 HZ3 LYS 41 HZ3 LYS 41 12.523 -10.356 11.207 295 H ASN 42 H ASN 42 8.861 -12.475 6.841 296 HA ASN 42 HA ASN 42 7.542 -12.752 4.303 297 HB2 ASN 42 HB2 ASN 42 7.848 -14.605 6.662 298 HB3 ASN 42 HB3 ASN 42 6.855 -15.019 5.268 299 HD21 ASN 42 HD21 ASN 42 9.228 -16.339 6.245 300 HD22 ASN 42 HD22 ASN 42 10.376 -16.298 4.945 301 HA PRO 43 HA PRO 43 3.575 -11.257 5.282 302 HB2 PRO 43 HB2 PRO 43 2.033 -12.966 3.771 303 HB3 PRO 43 HB3 PRO 43 2.908 -11.573 3.129 304 HG2 PRO 43 HG2 PRO 43 3.684 -14.460 3.138 305 HG3 PRO 43 HG3 PRO 43 3.861 -13.255 1.849 306 HD2 PRO 43 HD2 PRO 43 5.937 -13.984 3.376 307 HD3 PRO 43 HD3 PRO 43 5.737 -12.307 2.824 308 H ALA 44 H ALA 44 4.282 -14.620 5.805 309 HA ALA 44 HA ALA 44 1.836 -15.226 7.163 310 HB1 ALA 44 HB1 ALA 44 2.901 -17.340 7.721 311 HB2 ALA 44 HB2 ALA 44 4.457 -16.719 7.168 312 HB3 ALA 44 HB3 ALA 44 3.140 -16.956 6.017 313 H ALA 45 H ALA 45 4.739 -13.656 8.022 314 HA ALA 45 HA ALA 45 4.363 -14.230 10.872 315 HB1 ALA 45 HB1 ALA 45 6.587 -13.311 11.198 316 HB2 ALA 45 HB2 ALA 45 6.668 -12.853 9.498 317 HB3 ALA 45 HB3 ALA 45 6.617 -14.556 9.952 318 H ALA 46 H ALA 46 5.320 -11.362 8.986 319 HA ALA 46 HA ALA 46 4.372 -9.655 11.116 320 HB1 ALA 46 HB1 ALA 46 5.398 -7.850 9.863 321 HB2 ALA 46 HB2 ALA 46 5.654 -8.926 8.489 322 HB3 ALA 46 HB3 ALA 46 6.509 -9.212 10.005 323 H THR 47 H THR 47 3.554 -10.267 7.738 324 HA THR 47 HA THR 47 1.572 -8.185 7.659 325 HB THR 47 HB THR 47 1.817 -10.301 5.555 326 HG1 THR 47 HG1 THR 47 3.737 -8.296 6.240 327 HG21 THR 47 HG21 THR 47 1.472 -7.299 5.494 328 HG22 THR 47 HG22 THR 47 0.205 -8.501 5.238 329 HG23 THR 47 HG23 THR 47 1.524 -8.350 4.078 330 H MET 48 H MET 48 1.382 -10.785 9.336 331 HA MET 48 HA MET 48 -1.243 -11.677 8.480 332 HB2 MET 48 HB2 MET 48 0.363 -13.482 8.935 333 HB3 MET 48 HB3 MET 48 0.646 -12.840 10.548 334 HG2 MET 48 HG2 MET 48 -1.597 -13.363 11.213 335 HG3 MET 48 HG3 MET 48 -2.018 -13.837 9.570 336 HE1 MET 48 HE1 MET 48 -0.142 -17.175 9.071 337 HE2 MET 48 HE2 MET 48 0.362 -15.566 8.551 338 HE3 MET 48 HE3 MET 48 -1.332 -16.042 8.428 339 H ARG 49 H ARG 49 -2.545 -10.230 9.120 340 HA ARG 49 HA ARG 49 -3.990 -9.073 10.492 341 HB2 ARG 49 HB2 ARG 49 -3.250 -10.893 12.262 342 HB3 ARG 49 HB3 ARG 49 -2.282 -9.582 12.913 343 HG2 ARG 49 HG2 ARG 49 -4.293 -9.622 14.146 344 HG3 ARG 49 HG3 ARG 49 -4.406 -8.235 13.060 345 HD2 ARG 49 HD2 ARG 49 -6.495 -9.543 13.159 346 HD3 ARG 49 HD3 ARG 49 -5.798 -9.490 11.540 347 HE ARG 49 HE ARG 49 -5.168 -11.796 13.219 348 HH11 ARG 49 HH11 ARG 49 -7.010 -10.456 10.559 349 HH12 ARG 49 HH12 ARG 49 -7.367 -12.012 9.863 350 HH21 ARG 49 HH21 ARG 49 -5.634 -13.820 12.336 351 HH22 ARG 49 HH22 ARG 49 -6.597 -13.939 10.890 352 H ASN 50 H ASN 50 -3.475 -7.227 12.437 353 HA ASN 50 HA ASN 50 -2.472 -5.263 12.970 354 HB2 ASN 50 HB2 ASN 50 -0.112 -6.253 11.345 355 HB3 ASN 50 HB3 ASN 50 -0.115 -4.838 12.389 356 HD21 ASN 50 HD21 ASN 50 1.438 -7.373 12.399 357 HD22 ASN 50 HD22 ASN 50 1.241 -8.010 13.994 358 H VAL 51 H VAL 51 -0.904 -5.582 9.822 359 HA VAL 51 HA VAL 51 -1.580 -2.947 9.070 360 HB VAL 51 HB VAL 51 -0.734 -5.159 7.197 361 HG11 VAL 51 HG11 VAL 51 -1.468 -3.102 6.104 362 HG12 VAL 51 HG12 VAL 51 0.267 -3.345 5.906 363 HG13 VAL 51 HG13 VAL 51 -0.331 -2.171 7.079 364 HG21 VAL 51 HG21 VAL 51 1.579 -4.478 7.647 365 HG22 VAL 51 HG22 VAL 51 0.791 -5.114 9.090 366 HG23 VAL 51 HG23 VAL 51 1.004 -3.374 8.897 367 H ALA 52 H ALA 52 -3.031 -6.055 8.392 368 HA ALA 52 HA ALA 52 -4.615 -5.397 6.195 369 HB1 ALA 52 HB1 ALA 52 -4.228 -7.694 6.920 370 HB2 ALA 52 HB2 ALA 52 -5.952 -7.355 6.776 371 HB3 ALA 52 HB3 ALA 52 -5.196 -7.407 8.367 372 H GLY 53 H GLY 53 -5.068 -4.704 9.578 373 HA2 GLY 53 HA2 GLY 53 -7.865 -4.132 9.410 374 HA3 GLY 53 HA3 GLY 53 -6.785 -3.682 10.724 375 H GLU 54 H GLU 54 -4.927 -2.162 9.310 376 HA GLU 54 HA GLU 54 -6.295 0.323 9.305 377 HB2 GLU 54 HB2 GLU 54 -3.478 -0.527 8.724 378 HB3 GLU 54 HB3 GLU 54 -3.984 1.124 8.402 379 HG2 GLU 54 HG2 GLU 54 -2.944 1.037 10.554 380 HG3 GLU 54 HG3 GLU 54 -4.665 1.340 10.769 381 H ILE 55 H ILE 55 -5.325 -1.886 6.790 382 HA ILE 55 HA ILE 55 -5.594 -0.065 4.615 383 HB ILE 55 HB ILE 55 -5.787 -3.077 4.574 384 HG12 ILE 55 HG12 ILE 55 -3.666 -2.338 5.539 385 HG13 ILE 55 HG13 ILE 55 -3.409 -3.035 3.945 386 HG21 ILE 55 HG21 ILE 55 -5.215 -1.128 2.350 387 HG22 ILE 55 HG22 ILE 55 -6.692 -2.070 2.558 388 HG23 ILE 55 HG23 ILE 55 -5.166 -2.886 2.215 389 HD11 ILE 55 HD11 ILE 55 -2.056 -1.039 4.304 390 HD12 ILE 55 HD12 ILE 55 -3.520 -0.093 4.567 391 HD13 ILE 55 HD13 ILE 55 -3.209 -0.813 2.989 392 H ALA 56 H ALA 56 -7.826 -1.999 6.439 393 HA ALA 56 HA ALA 56 -9.833 -2.492 4.591 394 HB1 ALA 56 HB1 ALA 56 -10.195 -1.940 7.529 395 HB2 ALA 56 HB2 ALA 56 -9.733 -3.490 6.827 396 HB3 ALA 56 HB3 ALA 56 -11.317 -2.801 6.477 397 H ALA 57 H ALA 57 -9.270 0.442 6.487 398 HA ALA 57 HA ALA 57 -11.720 1.714 5.920 399 HB1 ALA 57 HB1 ALA 57 -10.230 2.465 7.698 400 HB2 ALA 57 HB2 ALA 57 -10.601 3.780 6.582 401 HB3 ALA 57 HB3 ALA 57 -9.039 2.964 6.497 402 H ALA 58 H ALA 58 -8.674 1.570 4.171 403 HA ALA 58 HA ALA 58 -9.414 3.534 2.221 404 HB1 ALA 58 HB1 ALA 58 -7.237 1.449 2.119 405 HB2 ALA 58 HB2 ALA 58 -7.069 3.083 2.762 406 HB3 ALA 58 HB3 ALA 58 -7.398 2.840 1.046 407 H LEU 59 H LEU 59 -9.852 0.130 2.626 408 HA LEU 59 HA LEU 59 -10.357 -0.600 -0.045 409 HB2 LEU 59 HB2 LEU 59 -9.950 -2.194 1.790 410 HB3 LEU 59 HB3 LEU 59 -11.492 -1.771 2.496 411 HG LEU 59 HG LEU 59 -11.618 -2.730 -0.294 412 HD11 LEU 59 HD11 LEU 59 -11.384 -5.075 0.362 413 HD12 LEU 59 HD12 LEU 59 -10.887 -4.574 1.977 414 HD13 LEU 59 HD13 LEU 59 -9.876 -4.189 0.586 415 HD21 LEU 59 HD21 LEU 59 -13.124 -3.421 2.231 416 HD22 LEU 59 HD22 LEU 59 -13.552 -3.930 0.597 417 HD23 LEU 59 HD23 LEU 59 -13.614 -2.223 1.033 418 H TYR 60 H TYR 60 -12.396 0.772 2.468 419 HA TYR 60 HA TYR 60 -14.841 0.609 1.027 420 HB2 TYR 60 HB2 TYR 60 -14.842 0.989 3.430 421 HB3 TYR 60 HB3 TYR 60 -13.974 2.508 3.224 422 HD1 TYR 60 HD2 TYR 60 -17.187 0.808 2.424 423 HD2 TYR 60 HD1 TYR 60 -15.140 4.509 2.900 424 HE1 TYR 60 HE2 TYR 60 -19.323 2.008 2.223 425 HE2 TYR 60 HE1 TYR 60 -17.271 5.718 2.699 426 HH TYR 60 HH TYR 60 -20.260 4.248 2.950 427 H ALA 61 H ALA 61 -12.262 3.003 1.168 428 HA ALA 61 HA ALA 61 -13.536 5.016 -0.344 429 HB1 ALA 61 HB1 ALA 61 -11.308 5.943 -0.681 430 HB2 ALA 61 HB2 ALA 61 -10.581 4.438 -0.117 431 HB3 ALA 61 HB3 ALA 61 -11.520 5.434 0.996 432 H VAL 62 H VAL 62 -11.461 2.297 -1.251 433 HA VAL 62 HA VAL 62 -11.372 2.773 -4.023 434 HB VAL 62 HB VAL 62 -11.264 0.128 -2.553 435 HG11 VAL 62 HG11 VAL 62 -10.127 -0.731 -4.537 436 HG12 VAL 62 HG12 VAL 62 -10.358 0.820 -5.347 437 HG13 VAL 62 HG13 VAL 62 -11.753 -0.174 -4.929 438 HG21 VAL 62 HG21 VAL 62 -8.855 0.365 -2.692 439 HG22 VAL 62 HG22 VAL 62 -9.556 1.737 -1.836 440 HG23 VAL 62 HG23 VAL 62 -9.033 1.916 -3.510 441 H LYS 63 H LYS 63 -13.683 1.022 -2.002 442 HA LYS 63 HA LYS 63 -15.300 -0.028 -4.024 443 HB2 LYS 63 HB2 LYS 63 -15.856 0.768 -1.181 444 HB3 LYS 63 HB3 LYS 63 -17.129 0.136 -2.210 445 HG2 LYS 63 HG2 LYS 63 -15.695 -1.877 -2.603 446 HG3 LYS 63 HG3 LYS 63 -14.602 -1.253 -1.365 447 HD2 LYS 63 HD2 LYS 63 -16.319 -1.379 0.302 448 HD3 LYS 63 HD3 LYS 63 -17.537 -1.772 -0.909 449 HE2 LYS 63 HE2 LYS 63 -16.295 -3.861 -1.403 450 HE3 LYS 63 HE3 LYS 63 -15.195 -3.478 -0.083 451 HZ1 LYS 63 HZ1 LYS 63 -16.967 -5.047 0.538 452 HZ2 LYS 63 HZ2 LYS 63 -18.127 -3.852 0.220 453 HZ3 LYS 63 HZ3 LYS 63 -17.002 -3.632 1.473 454 H LYS 64 H LYS 64 -15.519 3.098 -2.330 455 HA LYS 64 HA LYS 64 -17.797 3.981 -3.777 456 HB2 LYS 64 HB2 LYS 64 -15.730 5.436 -2.146 457 HB3 LYS 64 HB3 LYS 64 -17.022 6.287 -2.980 458 HG2 LYS 64 HG2 LYS 64 -18.655 4.867 -1.736 459 HG3 LYS 64 HG3 LYS 64 -17.299 4.231 -0.804 460 HD2 LYS 64 HD2 LYS 64 -18.464 6.069 0.355 461 HD3 LYS 64 HD3 LYS 64 -16.774 6.443 0.016 462 HE2 LYS 64 HE2 LYS 64 -17.411 7.801 -1.876 463 HE3 LYS 64 HE3 LYS 64 -19.103 7.343 -1.677 464 HZ1 LYS 64 HZ1 LYS 64 -18.353 9.584 -0.765 465 HZ2 LYS 64 HZ2 LYS 64 -17.619 8.701 0.487 466 HZ3 LYS 64 HZ3 LYS 64 -19.295 8.601 0.246 467 H ALA 65 H ALA 65 -14.382 4.039 -4.424 468 HA ALA 65 HA ALA 65 -14.307 6.060 -6.374 469 HB1 ALA 65 HB1 ALA 65 -12.299 5.127 -5.354 470 HB2 ALA 65 HB2 ALA 65 -12.223 5.034 -7.113 471 HB3 ALA 65 HB3 ALA 65 -12.591 3.592 -6.167 472 H SER 66 H SER 66 -15.351 2.737 -6.513 473 HA SER 66 HA SER 66 -15.352 2.438 -9.324 474 HB2 SER 66 HB2 SER 66 -15.544 0.546 -7.699 475 HB3 SER 66 HB3 SER 66 -17.178 1.083 -7.319 476 HG SER 66 HG SER 66 -17.619 -0.286 -8.890 477 H GLN 67 H GLN 67 -17.723 3.649 -7.016 478 HA GLN 67 HA GLN 67 -19.821 4.013 -8.906 479 HB2 GLN 67 HB2 GLN 67 -19.902 3.918 -6.297 480 HB3 GLN 67 HB3 GLN 67 -19.550 5.638 -6.395 481 HG2 GLN 67 HG2 GLN 67 -21.552 5.942 -7.790 482 HG3 GLN 67 HG3 GLN 67 -21.919 4.228 -7.600 483 HE21 GLN 67 HE21 GLN 67 -23.499 6.511 -6.831 484 HE22 GLN 67 HE22 GLN 67 -23.738 6.397 -5.120 485 H LEU 68 H LEU 68 -17.314 6.069 -7.539 486 HA LEU 68 HA LEU 68 -18.083 8.468 -8.843 487 HB2 LEU 68 HB2 LEU 68 -15.633 7.510 -7.425 488 HB3 LEU 68 HB3 LEU 68 -15.543 8.982 -8.369 489 HG LEU 68 HG LEU 68 -17.179 10.066 -6.977 490 HD11 LEU 68 HD11 LEU 68 -18.227 8.990 -5.074 491 HD12 LEU 68 HD12 LEU 68 -17.440 7.465 -5.480 492 HD13 LEU 68 HD13 LEU 68 -18.649 8.149 -6.567 493 HD21 LEU 68 HD21 LEU 68 -14.890 10.087 -6.170 494 HD22 LEU 68 HD22 LEU 68 -15.164 8.574 -5.304 495 HD23 LEU 68 HD23 LEU 68 -16.023 10.037 -4.819 496 H GLY 69 H GLY 69 -16.284 5.686 -9.848 497 HA2 GLY 69 HA2 GLY 69 -15.772 5.070 -12.022 498 HA3 GLY 69 HA3 GLY 69 -16.295 6.657 -12.564 499 H VAL 70 H VAL 70 -13.872 6.039 -10.085 500 HA VAL 70 HA VAL 70 -11.845 7.126 -11.926 501 HB VAL 70 HB VAL 70 -10.764 8.247 -10.001 502 HG11 VAL 70 HG11 VAL 70 -12.366 10.096 -9.799 503 HG12 VAL 70 HG12 VAL 70 -13.624 9.072 -10.493 504 HG13 VAL 70 HG13 VAL 70 -12.221 9.526 -11.462 505 HG21 VAL 70 HG21 VAL 70 -12.008 8.563 -7.917 506 HG22 VAL 70 HG22 VAL 70 -11.648 6.859 -8.201 507 HG23 VAL 70 HG23 VAL 70 -13.269 7.481 -8.505 508 H LYS 71 H LYS 71 -9.571 6.710 -11.042 509 HA LYS 71 HA LYS 71 -9.448 3.948 -10.017 510 HB2 LYS 71 HB2 LYS 71 -7.475 5.384 -11.815 511 HB3 LYS 71 HB3 LYS 71 -7.352 3.716 -11.271 512 HG2 LYS 71 HG2 LYS 71 -9.683 4.691 -12.883 513 HG3 LYS 71 HG3 LYS 71 -8.189 4.130 -13.634 514 HD2 LYS 71 HD2 LYS 71 -8.448 1.956 -12.616 515 HD3 LYS 71 HD3 LYS 71 -9.863 2.509 -11.716 516 HE2 LYS 71 HE2 LYS 71 -11.146 2.732 -13.686 517 HE3 LYS 71 HE3 LYS 71 -9.725 2.563 -14.715 518 HZ1 LYS 71 HZ1 LYS 71 -11.178 0.553 -14.564 519 HZ2 LYS 71 HZ2 LYS 71 -10.708 0.400 -12.942 520 HZ3 LYS 71 HZ3 LYS 71 -9.551 0.281 -14.168 521 H ILE 72 H ILE 72 -7.475 3.462 -8.751 522 HA ILE 72 HA ILE 72 -6.528 5.861 -7.318 523 HB ILE 72 HB ILE 72 -5.898 4.415 -5.455 524 HG12 ILE 72 HG12 ILE 72 -7.113 2.027 -5.654 525 HG13 ILE 72 HG13 ILE 72 -6.667 2.253 -7.340 526 HG21 ILE 72 HG21 ILE 72 -8.754 4.044 -6.332 527 HG22 ILE 72 HG22 ILE 72 -8.096 5.423 -5.452 528 HG23 ILE 72 HG23 ILE 72 -8.149 3.835 -4.689 529 HD11 ILE 72 HD11 ILE 72 -4.340 2.508 -6.709 530 HD12 ILE 72 HD12 ILE 72 -4.988 0.982 -6.109 531 HD13 ILE 72 HD13 ILE 72 -4.769 2.342 -5.008 532 H ARG 73 H ARG 73 -4.254 5.872 -6.633 533 HA ARG 73 HA ARG 73 -2.609 4.920 -8.838 534 HB2 ARG 73 HB2 ARG 73 -2.067 6.906 -6.631 535 HB3 ARG 73 HB3 ARG 73 -0.883 6.446 -7.850 536 HG2 ARG 73 HG2 ARG 73 -2.353 7.259 -9.609 537 HG3 ARG 73 HG3 ARG 73 -3.567 7.690 -8.407 538 HD2 ARG 73 HD2 ARG 73 -2.088 9.329 -7.435 539 HD3 ARG 73 HD3 ARG 73 -0.780 8.836 -8.511 540 HE ARG 73 HE ARG 73 -2.711 9.535 -10.241 541 HH11 ARG 73 HH11 ARG 73 -1.406 11.181 -7.429 542 HH12 ARG 73 HH12 ARG 73 -1.670 12.766 -8.097 543 HH21 ARG 73 HH21 ARG 73 -3.070 11.594 -11.100 544 HH22 ARG 73 HH22 ARG 73 -2.617 13.002 -10.186 545 H ILE 74 H ILE 74 -1.765 3.005 -8.652 546 HA ILE 74 HA ILE 74 -0.829 2.072 -6.026 547 HB ILE 74 HB ILE 74 -2.770 0.820 -6.849 548 HG12 ILE 74 HG12 ILE 74 -0.233 -0.824 -6.965 549 HG13 ILE 74 HG13 ILE 74 -1.051 -0.325 -5.487 550 HG21 ILE 74 HG21 ILE 74 -1.012 0.135 -9.197 551 HG22 ILE 74 HG22 ILE 74 -2.471 1.127 -9.225 552 HG23 ILE 74 HG23 ILE 74 -2.581 -0.592 -8.846 553 HD11 ILE 74 HD11 ILE 74 -3.004 -1.627 -6.113 554 HD12 ILE 74 HD12 ILE 74 -1.555 -2.634 -6.074 555 HD13 ILE 74 HD13 ILE 74 -2.218 -2.100 -7.619 556 H LEU 75 H LEU 75 1.160 1.063 -5.896 557 HA LEU 75 HA LEU 75 3.183 1.976 -7.583 558 HB2 LEU 75 HB2 LEU 75 4.697 0.681 -6.312 559 HB3 LEU 75 HB3 LEU 75 3.453 1.226 -5.207 560 HG LEU 75 HG LEU 75 3.492 -1.540 -6.420 561 HD11 LEU 75 HD11 LEU 75 4.388 -2.305 -4.288 562 HD12 LEU 75 HD12 LEU 75 4.509 -0.638 -3.729 563 HD13 LEU 75 HD13 LEU 75 5.500 -1.190 -5.078 564 HD21 LEU 75 HD21 LEU 75 1.303 -0.804 -5.616 565 HD22 LEU 75 HD22 LEU 75 2.009 -0.392 -4.054 566 HD23 LEU 75 HD23 LEU 75 1.963 -2.073 -4.584 567 H HIS 76 H HIS 76 4.887 0.342 -8.472 568 HA HIS 76 HA HIS 76 3.482 -1.160 -10.554 569 HB2 HIS 76 HB2 HIS 76 6.432 -0.516 -10.476 570 HB3 HIS 76 HB3 HIS 76 5.468 -0.981 -11.870 571 HD1 HIS 76 HD1 HIS 76 3.559 0.906 -12.529 572 HD2 HIS 76 HD2 HIS 76 6.800 2.146 -10.240 573 HE1 HIS 76 HE1 HIS 76 3.606 3.413 -12.725 574 HE2 HIS 76 HE2 HIS 76 5.727 4.103 -11.545 575 H ASP 77 H ASP 77 4.105 -3.287 -11.106 576 HA ASP 77 HA ASP 77 4.555 -5.459 -10.653 577 HB2 ASP 77 HB2 ASP 77 7.026 -4.097 -9.629 578 HB3 ASP 77 HB3 ASP 77 6.840 -5.841 -9.482 579 H TYR 78 H TYR 78 2.665 -5.329 -9.184 580 HA TYR 78 HA TYR 78 3.253 -5.326 -6.352 581 HB2 TYR 78 HB2 TYR 78 1.091 -4.455 -7.498 582 HB3 TYR 78 HB3 TYR 78 0.621 -6.149 -7.558 583 HD1 TYR 78 HD1 TYR 78 2.106 -6.666 -4.760 584 HD2 TYR 78 HD2 TYR 78 -0.864 -3.952 -6.136 585 HE1 TYR 78 HE1 TYR 78 1.217 -6.488 -2.475 586 HE2 TYR 78 HE2 TYR 78 -1.759 -3.762 -3.855 587 HH TYR 78 HH TYR 78 -0.111 -4.806 -1.140 588 H ALA 79 H ALA 79 4.755 -7.109 -6.419 589 HA ALA 79 HA ALA 79 3.940 -9.724 -7.218 590 HB1 ALA 79 HB1 ALA 79 6.290 -9.057 -7.185 591 HB2 ALA 79 HB2 ALA 79 6.017 -10.471 -6.166 592 HB3 ALA 79 HB3 ALA 79 6.222 -8.880 -5.431 593 H GLY 80 H GLY 80 3.288 -7.846 -4.488 594 HA2 GLY 80 HA2 GLY 80 3.255 -9.772 -2.438 595 HA3 GLY 80 HA3 GLY 80 2.358 -8.263 -2.435 596 H ILE 81 H ILE 81 1.030 -9.201 -5.030 597 HA ILE 81 HA ILE 81 -1.298 -10.244 -3.802 598 HB ILE 81 HB ILE 81 -2.202 -10.512 -6.068 599 HG12 ILE 81 HG12 ILE 81 0.551 -9.656 -6.999 600 HG13 ILE 81 HG13 ILE 81 -0.120 -11.275 -7.172 601 HG21 ILE 81 HG21 ILE 81 -0.724 -7.916 -5.643 602 HG22 ILE 81 HG22 ILE 81 -2.306 -8.337 -4.990 603 HG23 ILE 81 HG23 ILE 81 -2.093 -8.154 -6.732 604 HD11 ILE 81 HD11 ILE 81 -1.217 -8.777 -8.436 605 HD12 ILE 81 HD12 ILE 81 -1.861 -10.408 -8.627 606 HD13 ILE 81 HD13 ILE 81 -0.258 -10.016 -9.245 607 H ALA 82 H ALA 82 1.478 -11.734 -5.253 608 HA ALA 82 HA ALA 82 0.323 -14.302 -5.685 609 HB1 ALA 82 HB1 ALA 82 2.645 -15.075 -5.890 610 HB2 ALA 82 HB2 ALA 82 3.212 -13.514 -5.296 611 HB3 ALA 82 HB3 ALA 82 2.357 -13.614 -6.837 612 H PHE 83 H PHE 83 1.890 -12.708 -2.995 613 HA PHE 83 HA PHE 83 2.047 -15.061 -1.362 614 HB2 PHE 83 HB2 PHE 83 2.283 -12.132 -0.632 615 HB3 PHE 83 HB3 PHE 83 2.651 -13.474 0.444 616 HD1 PHE 83 HD2 PHE 83 4.578 -14.950 -0.045 617 HD2 PHE 83 HD1 PHE 83 3.828 -11.403 -2.272 618 HE1 PHE 83 HE2 PHE 83 6.887 -14.998 -0.886 619 HE2 PHE 83 HE1 PHE 83 6.141 -11.442 -3.117 620 HZ PHE 83 HZ PHE 83 7.672 -13.244 -2.423 621 H TRP 84 H TRP 84 -0.226 -12.469 -1.888 622 HA TRP 84 HA TRP 84 -1.917 -13.043 0.328 623 HB2 TRP 84 HB2 TRP 84 -1.911 -10.868 -0.866 624 HB3 TRP 84 HB3 TRP 84 -2.574 -11.664 -2.288 625 HD1 TRP 84 HD1 TRP 84 -5.142 -11.811 -2.443 626 HE1 TRP 84 HE1 TRP 84 -7.097 -11.238 -0.870 627 HE3 TRP 84 HE3 TRP 84 -2.496 -10.876 1.830 628 HZ2 TRP 84 HZ2 TRP 84 -7.468 -10.498 1.830 629 HZ3 TRP 84 HZ3 TRP 84 -3.725 -10.245 3.864 630 HH2 TRP 84 HH2 TRP 84 -6.160 -10.061 3.864 631 H ALA 85 H ALA 85 -1.831 -14.025 -3.057 632 HA ALA 85 HA ALA 85 -4.216 -15.501 -3.128 633 HB1 ALA 85 HB1 ALA 85 -3.310 -16.568 -5.104 634 HB2 ALA 85 HB2 ALA 85 -1.686 -16.021 -4.690 635 HB3 ALA 85 HB3 ALA 85 -2.927 -14.848 -5.124 636 H THR 86 H THR 86 -0.863 -16.666 -2.643 637 HA THR 86 HA THR 86 -1.962 -18.800 -0.977 638 HB THR 86 HB THR 86 -1.674 -19.895 -3.088 639 HG1 THR 86 HG1 THR 86 0.296 -20.515 -1.133 640 HG21 THR 86 HG21 THR 86 -0.126 -18.382 -4.175 641 HG22 THR 86 HG22 THR 86 0.500 -20.031 -4.231 642 HG23 THR 86 HG23 THR 86 1.163 -18.874 -3.075 643 H GLY 87 H GLY 87 1.213 -17.506 -2.116 644 HA2 GLY 87 HA2 GLY 87 2.448 -16.224 -0.400 645 HA3 GLY 87 HA3 GLY 87 1.980 -17.477 0.738 646 H GLU 88 H GLU 88 2.593 -19.796 -0.455 647 HA GLU 88 HA GLU 88 5.389 -19.888 -0.074 648 HB2 GLU 88 HB2 GLU 88 3.732 -22.028 -1.404 649 HB3 GLU 88 HB3 GLU 88 5.251 -22.227 -0.541 650 HG2 GLU 88 HG2 GLU 88 3.886 -22.880 1.122 651 HG3 GLU 88 HG3 GLU 88 3.781 -21.143 1.412 652 H TRP 89 H TRP 89 3.478 -20.377 -3.053 653 HA TRP 89 HA TRP 89 5.927 -19.702 -4.531 654 HB2 TRP 89 HB2 TRP 89 5.180 -21.058 -6.384 655 HB3 TRP 89 HB3 TRP 89 5.177 -22.035 -4.924 656 HD1 TRP 89 HD1 TRP 89 2.939 -20.777 -7.673 657 HE1 TRP 89 HE1 TRP 89 0.596 -21.803 -7.410 658 HE3 TRP 89 HE3 TRP 89 3.464 -22.829 -3.015 659 HZ2 TRP 89 HZ2 TRP 89 -0.846 -23.281 -5.483 660 HZ3 TRP 89 HZ3 TRP 89 1.555 -24.036 -2.040 661 HH2 TRP 89 HH2 TRP 89 -0.553 -24.256 -3.248 662 H LYS 90 H LYS 90 5.500 -18.665 -6.668 663 HA LYS 90 HA LYS 90 3.630 -16.489 -6.144 664 HB2 LYS 90 HB2 LYS 90 5.933 -16.705 -8.087 665 HB3 LYS 90 HB3 LYS 90 4.964 -15.261 -7.813 666 HG2 LYS 90 HG2 LYS 90 5.778 -15.006 -5.621 667 HG3 LYS 90 HG3 LYS 90 6.477 -16.622 -5.608 668 HD2 LYS 90 HD2 LYS 90 8.068 -15.915 -7.357 669 HD3 LYS 90 HD3 LYS 90 7.396 -14.284 -7.273 670 HE2 LYS 90 HE2 LYS 90 8.089 -14.051 -4.991 671 HE3 LYS 90 HE3 LYS 90 8.585 -15.739 -4.921 672 HZ1 LYS 90 HZ1 LYS 90 10.445 -14.162 -5.200 673 HZ2 LYS 90 HZ2 LYS 90 9.820 -13.721 -6.715 674 HZ3 LYS 90 HZ3 LYS 90 10.346 -15.310 -6.447 675 H ALA 91 H ALA 91 1.792 -16.338 -7.191 676 HA ALA 91 HA ALA 91 1.075 -18.073 -9.330 677 HB1 ALA 91 HB1 ALA 91 -0.344 -15.613 -8.306 678 HB2 ALA 91 HB2 ALA 91 -0.564 -17.254 -7.698 679 HB3 ALA 91 HB3 ALA 91 -1.035 -16.855 -9.352 680 H LYS 92 H LYS 92 2.605 -17.674 -10.952 681 HA LYS 92 HA LYS 92 2.364 -15.069 -12.279 682 HB2 LYS 92 HB2 LYS 92 4.466 -15.945 -13.532 683 HB3 LYS 92 HB3 LYS 92 4.628 -15.348 -11.887 684 HG2 LYS 92 HG2 LYS 92 4.348 -17.822 -11.198 685 HG3 LYS 92 HG3 LYS 92 4.730 -18.168 -12.887 686 HD2 LYS 92 HD2 LYS 92 6.447 -16.537 -11.013 687 HD3 LYS 92 HD3 LYS 92 6.719 -18.231 -11.420 688 HE2 LYS 92 HE2 LYS 92 6.596 -16.068 -13.504 689 HE3 LYS 92 HE3 LYS 92 8.091 -16.499 -12.676 690 HZ1 LYS 92 HZ1 LYS 92 6.416 -18.371 -14.270 691 HZ2 LYS 92 HZ2 LYS 92 7.884 -18.745 -13.507 692 HZ3 LYS 92 HZ3 LYS 92 7.859 -17.648 -14.795 693 H ASN 93 H ASN 93 2.840 -18.483 -13.245 694 HA ASN 93 HA ASN 93 0.474 -18.270 -14.917 695 HB2 ASN 93 HB2 ASN 93 2.315 -17.666 -16.449 696 HB3 ASN 93 HB3 ASN 93 3.131 -19.177 -16.057 697 HD21 ASN 93 HD21 ASN 93 0.467 -17.707 -17.723 698 HD22 ASN 93 HD22 ASN 93 0.019 -19.092 -18.659 699 H GLU 94 H GLU 94 -0.686 -19.807 -13.979 700 HA GLU 94 HA GLU 94 -0.075 -22.532 -13.981 701 HB2 GLU 94 HB2 GLU 94 1.635 -21.641 -12.283 702 HB3 GLU 94 HB3 GLU 94 0.263 -21.315 -11.237 703 HG2 GLU 94 HG2 GLU 94 -0.317 -23.698 -11.281 704 HG3 GLU 94 HG3 GLU 94 1.097 -24.008 -12.289 705 H PHE 95 H PHE 95 -1.666 -23.747 -12.543 706 HA PHE 95 HA PHE 95 -4.256 -22.849 -12.932 707 HB2 PHE 95 HB2 PHE 95 -4.998 -24.673 -11.586 708 HB3 PHE 95 HB3 PHE 95 -3.559 -25.212 -12.437 709 HD1 PHE 95 HD1 PHE 95 -1.394 -25.364 -11.188 710 HD2 PHE 95 HD2 PHE 95 -5.115 -24.660 -9.242 711 HE1 PHE 95 HE1 PHE 95 -0.405 -26.053 -9.041 712 HE2 PHE 95 HE2 PHE 95 -4.132 -25.342 -7.096 713 HZ PHE 95 HZ PHE 95 -1.773 -26.039 -6.995 714 H THR 96 H THR 96 -2.099 -22.250 -10.298 715 HA THR 96 HA THR 96 -3.787 -21.379 -8.299 716 HB THR 96 HB THR 96 -1.425 -21.668 -7.909 717 HG1 THR 96 HG1 THR 96 -2.372 -20.207 -6.500 718 HG21 THR 96 HG21 THR 96 0.246 -20.091 -8.745 719 HG22 THR 96 HG22 THR 96 -1.001 -19.258 -9.672 720 HG23 THR 96 HG23 THR 96 -0.569 -20.921 -10.071 721 H GLN 97 H GLN 97 -2.929 -19.752 -11.283 722 HA GLN 97 HA GLN 97 -3.642 -17.130 -10.623 723 HB2 GLN 97 HB2 GLN 97 -3.377 -18.711 -13.122 724 HB3 GLN 97 HB3 GLN 97 -4.275 -17.209 -13.214 725 HG2 GLN 97 HG2 GLN 97 -1.495 -17.418 -12.099 726 HG3 GLN 97 HG3 GLN 97 -1.854 -17.026 -13.780 727 HE21 GLN 97 HE21 GLN 97 -0.506 -15.425 -11.743 728 HE22 GLN 97 HE22 GLN 97 -1.414 -13.960 -11.606 729 H ALA 98 H ALA 98 -5.595 -19.910 -11.494 730 HA ALA 98 HA ALA 98 -8.008 -18.473 -11.957 731 HB1 ALA 98 HB1 ALA 98 -7.646 -20.745 -12.816 732 HB2 ALA 98 HB2 ALA 98 -9.110 -20.638 -11.836 733 HB3 ALA 98 HB3 ALA 98 -7.649 -21.361 -11.161 734 H TYR 99 H TYR 99 -6.468 -19.856 -9.129 735 HA TYR 99 HA TYR 99 -8.706 -19.336 -7.396 736 HB2 TYR 99 HB2 TYR 99 -7.233 -21.161 -6.825 737 HB3 TYR 99 HB3 TYR 99 -5.836 -20.090 -6.820 738 HD1 TYR 99 HD1 TYR 99 -9.092 -20.662 -5.084 739 HD2 TYR 99 HD2 TYR 99 -5.143 -19.094 -4.832 740 HE1 TYR 99 HE1 TYR 99 -9.414 -20.243 -2.681 741 HE2 TYR 99 HE2 TYR 99 -5.456 -18.676 -2.433 742 HH TYR 99 HH TYR 99 -7.224 -18.345 -0.836 743 H ALA 100 H ALA 100 -5.696 -17.750 -8.269 744 HA ALA 100 HA ALA 100 -5.729 -15.726 -6.307 745 HB1 ALA 100 HB1 ALA 100 -4.107 -14.589 -7.702 746 HB2 ALA 100 HB2 ALA 100 -4.517 -15.627 -9.067 747 HB3 ALA 100 HB3 ALA 100 -3.747 -16.314 -7.638 748 H LYS 101 H LYS 101 -7.575 -16.182 -9.167 749 HA LYS 101 HA LYS 101 -8.228 -13.427 -9.559 750 HB2 LYS 101 HB2 LYS 101 -8.278 -15.114 -11.384 751 HB3 LYS 101 HB3 LYS 101 -9.669 -15.865 -10.614 752 HG2 LYS 101 HG2 LYS 101 -11.089 -14.176 -11.207 753 HG3 LYS 101 HG3 LYS 101 -9.811 -12.965 -11.251 754 HD2 LYS 101 HD2 LYS 101 -10.172 -15.176 -13.265 755 HD3 LYS 101 HD3 LYS 101 -10.712 -13.511 -13.484 756 HE2 LYS 101 HE2 LYS 101 -8.324 -12.802 -13.119 757 HE3 LYS 101 HE3 LYS 101 -7.884 -14.506 -13.194 758 HZ1 LYS 101 HZ1 LYS 101 -8.810 -14.606 -15.428 759 HZ2 LYS 101 HZ2 LYS 101 -7.593 -13.431 -15.333 760 HZ3 LYS 101 HZ3 LYS 101 -9.222 -12.964 -15.352 761 H LEU 102 H LEU 102 -9.066 -15.572 -7.183 762 HA LEU 102 HA LEU 102 -11.734 -14.860 -6.621 763 HB2 LEU 102 HB2 LEU 102 -10.271 -16.665 -5.521 764 HB3 LEU 102 HB3 LEU 102 -9.600 -15.374 -4.549 765 HG LEU 102 HG LEU 102 -11.380 -16.738 -3.429 766 HD11 LEU 102 HD11 LEU 102 -11.998 -13.806 -3.734 767 HD12 LEU 102 HD12 LEU 102 -10.818 -14.503 -2.626 768 HD13 LEU 102 HD13 LEU 102 -12.533 -14.854 -2.420 769 HD21 LEU 102 HD21 LEU 102 -13.705 -16.322 -4.024 770 HD22 LEU 102 HD22 LEU 102 -12.826 -17.066 -5.360 771 HD23 LEU 102 HD23 LEU 102 -13.185 -15.338 -5.393 772 H MET 103 H MET 103 -8.647 -13.492 -5.462 773 HA MET 103 HA MET 103 -9.883 -11.190 -4.293 774 HB2 MET 103 HB2 MET 103 -7.675 -12.078 -3.567 775 HB3 MET 103 HB3 MET 103 -6.996 -11.589 -5.114 776 HG2 MET 103 HG2 MET 103 -6.431 -9.965 -3.450 777 HG3 MET 103 HG3 MET 103 -7.571 -9.250 -4.590 778 HE1 MET 103 HE1 MET 103 -6.956 -7.876 -1.835 779 HE2 MET 103 HE2 MET 103 -8.576 -7.469 -1.274 780 HE3 MET 103 HE3 MET 103 -8.154 -7.259 -2.974 781 H ASN 104 H ASN 104 -8.633 -12.023 -7.415 782 HA ASN 104 HA ASN 104 -8.297 -9.447 -8.511 783 HB2 ASN 104 HB2 ASN 104 -7.434 -11.604 -9.445 784 HB3 ASN 104 HB3 ASN 104 -9.063 -11.970 -9.983 785 HD21 ASN 104 HD21 ASN 104 -6.274 -9.948 -10.463 786 HD22 ASN 104 HD22 ASN 104 -6.742 -9.337 -12.010 787 H GLN 105 H GLN 105 -11.097 -11.374 -7.936 788 HA GLN 105 HA GLN 105 -12.971 -10.209 -9.639 789 HB2 GLN 105 HB2 GLN 105 -13.052 -12.095 -7.698 790 HB3 GLN 105 HB3 GLN 105 -13.842 -10.768 -6.864 791 HG2 GLN 105 HG2 GLN 105 -14.811 -11.310 -9.581 792 HG3 GLN 105 HG3 GLN 105 -15.096 -12.585 -8.405 793 HE21 GLN 105 HE21 GLN 105 -15.044 -9.132 -7.674 794 HE22 GLN 105 HE22 GLN 105 -16.723 -9.017 -7.265 795 H TYR 106 H TYR 106 -11.574 -9.046 -6.627 796 HA TYR 106 HA TYR 106 -13.373 -6.785 -6.454 797 HB2 TYR 106 HB2 TYR 106 -12.572 -7.798 -4.391 798 HB3 TYR 106 HB3 TYR 106 -10.901 -7.526 -4.869 799 HD1 TYR 106 HD2 TYR 106 -14.059 -5.647 -4.172 800 HD2 TYR 106 HD1 TYR 106 -9.802 -5.633 -4.123 801 HE1 TYR 106 HE2 TYR 106 -14.081 -3.453 -3.060 802 HE2 TYR 106 HE1 TYR 106 -9.817 -3.443 -3.013 803 HH TYR 106 HH TYR 106 -12.616 -2.071 -1.670 804 H ARG 107 H ARG 107 -10.383 -7.546 -7.922 805 HA ARG 107 HA ARG 107 -9.169 -5.024 -8.078 806 HB2 ARG 107 HB2 ARG 107 -8.015 -7.120 -8.622 807 HB3 ARG 107 HB3 ARG 107 -9.051 -7.343 -10.020 808 HG2 ARG 107 HG2 ARG 107 -7.425 -4.861 -9.853 809 HG3 ARG 107 HG3 ARG 107 -6.615 -6.382 -10.234 810 HD2 ARG 107 HD2 ARG 107 -8.391 -6.701 -12.025 811 HD3 ARG 107 HD3 ARG 107 -8.823 -5.015 -11.750 812 HE ARG 107 HE ARG 107 -6.086 -5.069 -12.188 813 HH11 ARG 107 HH11 ARG 107 -9.007 -5.852 -13.971 814 HH12 ARG 107 HH12 ARG 107 -8.283 -5.552 -15.526 815 HH21 ARG 107 HH21 ARG 107 -5.144 -4.654 -14.226 816 HH22 ARG 107 HH22 ARG 107 -6.086 -4.857 -15.675 817 H GLY 108 H GLY 108 -9.372 -3.332 -9.465 818 HA2 GLY 108 HA2 GLY 108 -10.641 -3.185 -11.895 819 HA3 GLY 108 HA3 GLY 108 -11.924 -2.989 -10.707 820 H ILE 109 H ILE 109 -10.934 -1.475 -8.783 821 HA ILE 109 HA ILE 109 -10.458 1.079 -10.056 822 HB ILE 109 HB ILE 109 -10.640 0.378 -7.123 823 HG12 ILE 109 HG12 ILE 109 -12.730 -0.094 -8.218 824 HG13 ILE 109 HG13 ILE 109 -12.912 1.419 -7.334 825 HG21 ILE 109 HG21 ILE 109 -10.986 2.783 -6.780 826 HG22 ILE 109 HG22 ILE 109 -10.690 3.062 -8.495 827 HG23 ILE 109 HG23 ILE 109 -9.399 2.440 -7.469 828 HD11 ILE 109 HD11 ILE 109 -13.955 1.501 -9.543 829 HD12 ILE 109 HD12 ILE 109 -12.390 1.181 -10.290 830 HD13 ILE 109 HD13 ILE 109 -12.650 2.676 -9.390 831 H TYR 110 H TYR 110 -8.671 -1.187 -8.024 832 HA TYR 110 HA TYR 110 -6.259 0.374 -8.545 833 HB2 TYR 110 HB2 TYR 110 -5.131 -1.066 -6.953 834 HB3 TYR 110 HB3 TYR 110 -6.624 -0.488 -6.230 835 HD1 TYR 110 HD2 TYR 110 -8.629 -2.078 -6.219 836 HD2 TYR 110 HD1 TYR 110 -4.663 -3.346 -7.086 837 HE1 TYR 110 HE2 TYR 110 -9.264 -4.397 -5.711 838 HE2 TYR 110 HE1 TYR 110 -5.287 -5.667 -6.582 839 HH TYR 110 HH TYR 110 -7.036 -6.841 -5.206 840 H SER 111 H SER 111 -4.589 -0.416 -9.754 841 HA SER 111 HA SER 111 -4.396 -3.021 -10.798 842 HB2 SER 111 HB2 SER 111 -4.861 -2.372 -13.217 843 HB3 SER 111 HB3 SER 111 -6.285 -2.526 -12.188 844 HG SER 111 HG SER 111 -5.004 -0.034 -12.550 845 H PHE 112 H PHE 112 -2.316 -3.284 -11.469 846 HA PHE 112 HA PHE 112 -0.733 -0.823 -11.459 847 HB2 PHE 112 HB2 PHE 112 1.199 -2.316 -10.933 848 HB3 PHE 112 HB3 PHE 112 -0.071 -2.339 -9.718 849 HD1 PHE 112 HD2 PHE 112 -1.569 -4.302 -9.535 850 HD2 PHE 112 HD1 PHE 112 1.801 -4.276 -12.140 851 HE1 PHE 112 HE2 PHE 112 -1.668 -6.755 -9.687 852 HE2 PHE 112 HE1 PHE 112 1.706 -6.729 -12.291 853 HZ PHE 112 HZ PHE 112 -0.031 -7.971 -11.065 854 H GLU 113 H GLU 113 0.530 -0.247 -13.076 855 HA GLU 113 HA GLU 113 0.897 -2.074 -15.345 856 HB2 GLU 113 HB2 GLU 113 0.264 0.882 -15.525 857 HB3 GLU 113 HB3 GLU 113 0.621 -0.171 -16.883 858 HG2 GLU 113 HG2 GLU 113 -1.401 -1.474 -16.384 859 HG3 GLU 113 HG3 GLU 113 -1.769 -0.362 -15.065 860 H LYS 114 H LYS 114 2.898 -1.794 -16.457 861 HA LYS 114 HA LYS 114 4.917 -0.492 -14.845 862 HB2 LYS 114 HB2 LYS 114 5.173 -2.118 -17.381 863 HB3 LYS 114 HB3 LYS 114 6.502 -1.549 -16.387 864 HG2 LYS 114 HG2 LYS 114 5.506 -2.857 -14.485 865 HG3 LYS 114 HG3 LYS 114 4.406 -3.568 -15.667 866 HD2 LYS 114 HD2 LYS 114 6.359 -4.363 -16.947 867 HD3 LYS 114 HD3 LYS 114 7.415 -3.727 -15.683 868 HE2 LYS 114 HE2 LYS 114 6.182 -5.183 -14.055 869 HE3 LYS 114 HE3 LYS 114 5.364 -5.916 -15.434 870 HZ1 LYS 114 HZ1 LYS 114 7.589 -6.502 -16.307 871 HZ2 LYS 114 HZ2 LYS 114 7.208 -7.269 -14.844 872 HZ3 LYS 114 HZ3 LYS 114 8.270 -5.951 -14.854 873 H VAL 115 H VAL 115 4.134 1.606 -15.168 874 HA VAL 115 HA VAL 115 4.984 2.818 -17.711 875 HB VAL 115 HB VAL 115 3.224 4.520 -17.448 876 HG11 VAL 115 HG11 VAL 115 2.158 1.700 -17.452 877 HG12 VAL 115 HG12 VAL 115 2.745 2.603 -18.850 878 HG13 VAL 115 HG13 VAL 115 1.283 3.125 -18.014 879 HG21 VAL 115 HG21 VAL 115 2.978 4.444 -15.024 880 HG22 VAL 115 HG22 VAL 115 2.266 2.833 -15.134 881 HG23 VAL 115 HG23 VAL 115 1.420 4.223 -15.819 882 H LYS 116 H LYS 116 5.630 5.139 -17.423 883 HA LYS 116 HA LYS 116 7.231 5.450 -15.083 884 HB2 LYS 116 HB2 LYS 116 7.720 7.720 -15.994 885 HB3 LYS 116 HB3 LYS 116 8.031 6.419 -17.128 886 HG2 LYS 116 HG2 LYS 116 7.029 8.011 -18.449 887 HG3 LYS 116 HG3 LYS 116 5.675 6.959 -18.035 888 HD2 LYS 116 HD2 LYS 116 4.901 9.173 -17.756 889 HD3 LYS 116 HD3 LYS 116 5.176 8.544 -16.141 890 HE2 LYS 116 HE2 LYS 116 7.325 9.698 -16.049 891 HE3 LYS 116 HE3 LYS 116 7.064 10.324 -17.676 892 HZ1 LYS 116 HZ1 LYS 116 6.418 12.039 -16.237 893 HZ2 LYS 116 HZ2 LYS 116 5.588 10.989 -15.199 894 HZ3 LYS 116 HZ3 LYS 116 4.955 11.336 -16.737 895 H ALA 117 H ALA 117 6.764 6.387 -13.211 896 HA ALA 117 HA ALA 117 4.957 8.441 -12.716 897 HB1 ALA 117 HB1 ALA 117 3.226 6.829 -13.405 898 HB2 ALA 117 HB2 ALA 117 3.050 7.321 -11.720 899 HB3 ALA 117 HB3 ALA 117 3.739 5.745 -12.111 900 H HIS 118 H HIS 118 7.101 8.632 -11.559 901 HA HIS 118 HA HIS 118 6.474 8.014 -8.784 902 HB2 HIS 118 HB2 HIS 118 8.667 7.222 -8.192 903 HB3 HIS 118 HB3 HIS 118 8.062 6.231 -9.508 904 HD1 HIS 118 HD1 HIS 118 10.882 8.324 -8.493 905 HD2 HIS 118 HD2 HIS 118 9.361 6.766 -12.037 906 HE1 HIS 118 HE1 HIS 118 12.758 8.484 -10.167 907 HE2 HIS 118 HE2 HIS 118 11.799 7.590 -12.324 908 H SER 119 H SER 119 6.475 10.311 -10.636 909 HA SER 119 HA SER 119 8.478 12.065 -9.388 910 HB2 SER 119 HB2 SER 119 6.788 12.599 -11.842 911 HB3 SER 119 HB3 SER 119 8.180 13.525 -11.289 912 HG SER 119 HG SER 119 8.537 11.967 -13.050 913 H GLY 120 H GLY 120 6.157 11.279 -7.943 914 HA2 GLY 120 HA2 GLY 120 4.073 13.229 -8.277 915 HA3 GLY 120 HA3 GLY 120 4.164 12.003 -7.026 916 H ASN 121 H ASN 121 3.889 13.043 -5.181 917 HA ASN 121 HA ASN 121 4.880 15.746 -4.822 918 HB2 ASN 121 HB2 ASN 121 2.576 14.724 -4.088 919 HB3 ASN 121 HB3 ASN 121 3.483 14.144 -2.698 920 HD21 ASN 121 HD21 ASN 121 1.288 16.072 -2.917 921 HD22 ASN 121 HD22 ASN 121 1.874 17.527 -2.180 922 H GLU 122 H GLU 122 6.020 16.306 -2.738 923 HA GLU 122 HA GLU 122 8.334 14.627 -2.500 924 HB2 GLU 122 HB2 GLU 122 7.572 17.149 -1.028 925 HB3 GLU 122 HB3 GLU 122 9.115 16.324 -0.852 926 HG2 GLU 122 HG2 GLU 122 9.314 16.598 -3.395 927 HG3 GLU 122 HG3 GLU 122 8.025 17.789 -3.219 928 H PHE 123 H PHE 123 5.403 14.257 -1.216 929 HA PHE 123 HA PHE 123 5.859 13.515 1.441 930 HB2 PHE 123 HB2 PHE 123 3.855 12.658 -0.618 931 HB3 PHE 123 HB3 PHE 123 3.923 11.846 0.941 932 HD1 PHE 123 HD1 PHE 123 3.580 13.178 3.021 933 HD2 PHE 123 HD2 PHE 123 2.824 14.765 -0.853 934 HE1 PHE 123 HE1 PHE 123 2.191 14.946 4.019 935 HE2 PHE 123 HE2 PHE 123 1.438 16.538 0.137 936 HZ PHE 123 HZ PHE 123 1.120 16.631 2.580 937 H ASN 124 H ASN 124 6.785 12.005 -1.536 938 HA ASN 124 HA ASN 124 7.229 9.381 -0.623 939 HB2 ASN 124 HB2 ASN 124 8.715 9.120 -2.523 940 HB3 ASN 124 HB3 ASN 124 7.297 10.038 -3.012 941 HD21 ASN 124 HD21 ASN 124 9.891 9.891 -4.253 942 HD22 ASN 124 HD22 ASN 124 10.518 11.502 -4.299 943 H ASP 125 H ASP 125 9.055 12.328 -0.225 944 HA ASP 125 HA ASP 125 11.358 11.077 0.939 945 HB2 ASP 125 HB2 ASP 125 11.576 13.268 -0.057 946 HB3 ASP 125 HB3 ASP 125 10.342 13.923 1.016 947 H TYR 126 H TYR 126 8.335 12.368 2.069 948 HA TYR 126 HA TYR 126 8.846 12.335 4.840 949 HB2 TYR 126 HB2 TYR 126 7.001 13.605 4.074 950 HB3 TYR 126 HB3 TYR 126 6.339 12.255 3.167 951 HD1 TYR 126 HD1 TYR 126 7.087 13.269 6.692 952 HD2 TYR 126 HD2 TYR 126 4.578 11.085 4.046 953 HE1 TYR 126 HE1 TYR 126 5.573 12.747 8.561 954 HE2 TYR 126 HE2 TYR 126 3.062 10.556 5.902 955 HH TYR 126 HH TYR 126 3.035 10.408 8.260 956 H VAL 127 H VAL 127 7.503 9.907 2.624 957 HA VAL 127 HA VAL 127 7.191 7.956 4.709 958 HB VAL 127 HB VAL 127 5.759 7.933 2.679 959 HG11 VAL 127 HG11 VAL 127 6.638 6.977 0.601 960 HG12 VAL 127 HG12 VAL 127 8.262 7.022 1.282 961 HG13 VAL 127 HG13 VAL 127 7.383 8.524 0.998 962 HG21 VAL 127 HG21 VAL 127 5.961 5.942 4.049 963 HG22 VAL 127 HG22 VAL 127 7.364 5.424 3.114 964 HG23 VAL 127 HG23 VAL 127 5.779 5.518 2.347 965 H ASP 128 H ASP 128 9.762 8.978 2.652 966 HA ASP 128 HA ASP 128 11.449 6.735 2.727 967 HB2 ASP 128 HB2 ASP 128 12.013 8.590 1.306 968 HB3 ASP 128 HB3 ASP 128 12.074 9.695 2.674 969 H MET 129 H MET 129 11.034 9.410 5.004 970 HA MET 129 HA MET 129 13.008 8.555 6.848 971 HB2 MET 129 HB2 MET 129 10.577 10.307 7.257 972 HB3 MET 129 HB3 MET 129 11.864 10.097 8.436 973 HG2 MET 129 HG2 MET 129 13.468 11.031 6.841 974 HG3 MET 129 HG3 MET 129 12.168 11.260 5.676 975 HE1 MET 129 HE1 MET 129 9.758 12.231 7.508 976 HE2 MET 129 HE2 MET 129 10.189 12.988 5.976 977 HE3 MET 129 HE3 MET 129 9.961 13.978 7.418 978 H LYS 130 H LYS 130 9.605 7.828 6.442 979 HA LYS 130 HA LYS 130 9.164 6.394 8.814 980 HB2 LYS 130 HB2 LYS 130 7.890 6.540 6.153 981 HB3 LYS 130 HB3 LYS 130 7.626 5.037 7.021 982 HG2 LYS 130 HG2 LYS 130 5.823 6.621 7.405 983 HG3 LYS 130 HG3 LYS 130 6.689 6.261 8.898 984 HD2 LYS 130 HD2 LYS 130 7.844 8.351 8.809 985 HD3 LYS 130 HD3 LYS 130 7.216 8.689 7.195 986 HE2 LYS 130 HE2 LYS 130 6.023 9.944 8.938 987 HE3 LYS 130 HE3 LYS 130 4.965 8.840 8.065 988 HZ1 LYS 130 HZ1 LYS 130 4.533 8.760 10.421 989 HZ2 LYS 130 HZ2 LYS 130 6.143 8.367 10.753 990 HZ3 LYS 130 HZ3 LYS 130 5.155 7.272 9.910 991 H ALA 131 H ALA 131 10.285 5.301 5.626 992 HA ALA 131 HA ALA 131 10.542 2.582 6.204 993 HB1 ALA 131 HB1 ALA 131 12.233 4.206 4.305 994 HB2 ALA 131 HB2 ALA 131 10.643 3.536 3.939 995 HB3 ALA 131 HB3 ALA 131 11.998 2.458 4.273 996 H LYS 132 H LYS 132 12.823 5.241 6.651 997 HA LYS 132 HA LYS 132 15.084 3.825 7.439 998 HB2 LYS 132 HB2 LYS 132 14.058 6.474 8.476 999 HB3 LYS 132 HB3 LYS 132 15.674 5.853 8.761 1000 HG2 LYS 132 HG2 LYS 132 14.524 6.475 6.051 1001 HG3 LYS 132 HG3 LYS 132 15.578 7.545 6.980 1002 HD2 LYS 132 HD2 LYS 132 17.244 5.619 7.000 1003 HD3 LYS 132 HD3 LYS 132 16.228 4.869 5.769 1004 HE2 LYS 132 HE2 LYS 132 17.536 7.578 5.574 1005 HE3 LYS 132 HE3 LYS 132 18.081 6.111 4.769 1006 HZ1 LYS 132 HZ1 LYS 132 16.823 7.521 3.279 1007 HZ2 LYS 132 HZ2 LYS 132 15.477 7.469 4.307 1008 HZ3 LYS 132 HZ3 LYS 132 16.008 6.056 3.534 1009 H SER 133 H SER 133 12.390 5.012 9.388 1010 HA SER 133 HA SER 133 13.499 4.089 11.852 1011 HB2 SER 133 HB2 SER 133 11.917 6.077 11.457 1012 HB3 SER 133 HB3 SER 133 10.627 4.881 11.381 1013 HG SER 133 HG SER 133 12.215 5.679 13.547 1014 H ALA 134 H ALA 134 11.264 2.829 9.486 1015 HA ALA 134 HA ALA 134 9.867 1.007 11.094 1016 HB1 ALA 134 HB1 ALA 134 9.078 1.729 8.908 1017 HB2 ALA 134 HB2 ALA 134 9.164 -0.030 9.003 1018 HB3 ALA 134 HB3 ALA 134 10.410 0.869 8.134 1019 H LEU 135 H LEU 135 13.003 0.724 9.549 1020 HA LEU 135 HA LEU 135 13.009 -2.163 9.782 1021 HB2 LEU 135 HB2 LEU 135 14.892 -0.148 8.645 1022 HB3 LEU 135 HB3 LEU 135 15.516 -1.724 9.090 1023 HG LEU 135 HG LEU 135 15.018 -1.788 6.767 1024 HD11 LEU 135 HD11 LEU 135 13.297 -3.536 6.650 1025 HD12 LEU 135 HD12 LEU 135 12.837 -3.175 8.312 1026 HD13 LEU 135 HD13 LEU 135 14.445 -3.807 7.961 1027 HD21 LEU 135 HD21 LEU 135 12.796 -1.290 5.868 1028 HD22 LEU 135 HD22 LEU 135 13.531 0.121 6.629 1029 HD23 LEU 135 HD23 LEU 135 12.267 -0.779 7.470 1030 H GLY 136 H GLY 136 13.585 0.385 11.849 1031 HA2 GLY 136 HA2 GLY 136 14.019 -0.324 14.161 1032 HA3 GLY 136 HA3 GLY 136 15.273 -1.363 13.508 1033 H ILE 137 H ILE 137 15.386 1.483 11.811 1034 HA ILE 137 HA ILE 137 17.638 2.412 13.405 1035 HB ILE 137 HB ILE 137 16.615 3.558 10.799 1036 HG12 ILE 137 HG12 ILE 137 18.847 1.563 11.257 1037 HG13 ILE 137 HG13 ILE 137 17.272 1.175 10.575 1038 HG21 ILE 137 HG21 ILE 137 18.854 4.539 10.641 1039 HG22 ILE 137 HG22 ILE 137 19.269 3.847 12.210 1040 HG23 ILE 137 HG23 ILE 137 18.013 5.082 12.095 1041 HD11 ILE 137 HD11 ILE 137 19.321 3.016 9.362 1042 HD12 ILE 137 HD12 ILE 137 17.740 2.641 8.677 1043 HD13 ILE 137 HD13 ILE 137 18.953 1.372 8.842 1044 H ARG 138 H ARG 138 16.695 3.292 15.209 1045 HA ARG 138 HA ARG 138 14.571 5.263 14.837 1046 HB2 ARG 138 HB2 ARG 138 14.547 3.295 16.550 1047 HB3 ARG 138 HB3 ARG 138 15.576 4.349 17.511 1048 HG2 ARG 138 HG2 ARG 138 13.276 4.593 18.194 1049 HG3 ARG 138 HG3 ARG 138 13.834 6.087 17.433 1050 HD2 ARG 138 HD2 ARG 138 12.797 5.338 15.314 1051 HD3 ARG 138 HD3 ARG 138 12.159 3.929 16.157 1052 HE ARG 138 HE ARG 138 11.451 6.548 17.230 1053 HH11 ARG 138 HH11 ARG 138 10.521 3.780 15.294 1054 HH12 ARG 138 HH12 ARG 138 8.824 4.142 15.335 1055 HH21 ARG 138 HH21 ARG 138 9.211 7.041 17.288 1056 HH22 ARG 138 HH22 ARG 138 8.075 5.982 16.492 1057 H ASP 139 H ASP 139 14.747 7.362 15.387 1058 HA ASP 139 HA ASP 139 15.710 9.383 15.605 1059 HB2 ASP 139 HB2 ASP 139 17.168 7.866 17.728 1060 HB3 ASP 139 HB3 ASP 139 17.467 9.570 17.444 1061 H LEU 140 H LEU 140 16.546 9.523 13.606 1062 HA LEU 140 HA LEU 140 19.102 8.577 12.823 1063 HB2 LEU 140 HB2 LEU 140 17.514 10.903 11.724 1064 HB3 LEU 140 HB3 LEU 140 18.870 10.125 10.933 1065 HG LEU 140 HG LEU 140 16.224 8.799 11.540 1066 HD11 LEU 140 HD11 LEU 140 16.003 10.492 9.809 1067 HD12 LEU 140 HD12 LEU 140 15.894 8.875 9.112 1068 HD13 LEU 140 HD13 LEU 140 17.379 9.810 8.946 1069 HD21 LEU 140 HD21 LEU 140 18.122 7.247 11.543 1070 HD22 LEU 140 HD22 LEU 140 18.589 7.828 9.946 1071 HD23 LEU 140 HD23 LEU 140 17.058 6.982 10.164 1072 H GLU 141 H GLU 141 17.973 11.339 14.547 1073 HA GLU 141 HA GLU 141 20.175 13.061 14.196 1074 HB2 GLU 141 HB2 GLU 141 18.111 12.865 16.384 1075 HB3 GLU 141 HB3 GLU 141 19.290 14.164 16.272 1076 HG2 GLU 141 HG2 GLU 141 17.259 13.504 14.150 1077 HG3 GLU 141 HG3 GLU 141 17.069 14.760 15.374 1078 H HIS 142 H HIS 142 19.682 10.298 16.255 1079 HA HIS 142 HA HIS 142 21.852 11.041 18.035 1080 HB2 HIS 142 HB2 HIS 142 19.863 9.854 18.916 1081 HB3 HIS 142 HB3 HIS 142 20.242 8.474 17.893 1082 HD1 HIS 142 HD1 HIS 142 21.461 6.679 19.050 1083 HD2 HIS 142 HD2 HIS 142 22.161 10.387 20.794 1084 HE1 HIS 142 HE1 HIS 142 22.936 6.229 21.036 1085 HE2 HIS 142 HE2 HIS 142 23.139 8.453 22.207 1086 H HIS 143 H HIS 143 23.580 11.163 16.635 1087 HA HIS 143 HA HIS 143 25.004 8.734 16.110 1088 HB2 HIS 143 HB2 HIS 143 23.834 10.295 13.801 1089 HB3 HIS 143 HB3 HIS 143 25.322 9.378 13.617 1090 HD1 HIS 143 HD1 HIS 143 21.756 9.070 13.272 1091 HD2 HIS 143 HD2 HIS 143 24.871 6.497 14.265 1092 HE1 HIS 143 HE1 HIS 143 20.857 6.743 12.918 1093 HE2 HIS 143 HE2 HIS 143 22.784 5.203 13.440 1094 H HIS 144 H HIS 144 27.191 9.189 15.364 1095 HA HIS 144 HA HIS 144 27.937 12.031 15.354 1096 HB2 HIS 144 HB2 HIS 144 29.213 9.868 17.030 1097 HB3 HIS 144 HB3 HIS 144 30.053 11.358 16.619 1098 HD1 HIS 144 HD1 HIS 144 28.854 10.185 19.479 1099 HD2 HIS 144 HD2 HIS 144 27.631 13.473 17.240 1100 HE1 HIS 144 HE1 HIS 144 27.690 11.720 21.099 1101 HE2 HIS 144 HE2 HIS 144 26.889 13.664 19.709 1102 H HIS 145 H HIS 145 28.503 12.236 13.276 1103 HA HIS 145 HA HIS 145 29.763 10.072 11.854 1104 HB2 HIS 145 HB2 HIS 145 29.596 11.406 9.892 1105 HB3 HIS 145 HB3 HIS 145 28.131 11.717 10.809 1106 HD1 HIS 145 HD1 HIS 145 30.595 13.426 8.909 1107 HD2 HIS 145 HD2 HIS 145 28.530 14.278 12.424 1108 HE1 HIS 145 HE1 HIS 145 30.777 15.914 9.227 1109 HE2 HIS 145 HE2 HIS 145 29.672 16.378 11.445 1110 H HIS 146 H HIS 146 31.841 9.610 11.941 1111 HA HIS 146 HA HIS 146 33.839 11.421 12.872 1112 HB2 HIS 146 HB2 HIS 146 34.036 8.815 11.340 1113 HB3 HIS 146 HB3 HIS 146 35.446 9.716 11.888 1114 HD1 HIS 146 HD1 HIS 146 36.238 9.235 14.204 1115 HD2 HIS 146 HD2 HIS 146 32.357 7.893 13.551 1116 HE1 HIS 146 HE1 HIS 146 35.618 7.925 16.260 1117 HE2 HIS 146 HE2 HIS 146 33.280 7.083 15.833 1118 H HIS 147 H HIS 147 32.684 10.385 9.740 1119 HA HIS 147 HA HIS 147 33.448 12.926 8.611 1120 HB2 HIS 147 HB2 HIS 147 34.728 10.359 7.792 1121 HB3 HIS 147 HB3 HIS 147 34.288 11.493 6.518 1122 HD1 HIS 147 HD1 HIS 147 37.118 10.644 8.399 1123 HD2 HIS 147 HD2 HIS 147 35.305 14.263 7.434 1124 HE1 HIS 147 HE1 HIS 147 38.888 12.405 8.714 1125 HE2 HIS 147 HE2 HIS 147 37.724 14.597 8.264
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