NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490290 | 2kqk | 16603 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.821 0.884 -1.799 3 HB2 MET 1 HB2 MET 1 3.736 -0.009 0.125 4 HB3 MET 1 HB3 MET 1 4.064 -0.815 -1.403 5 HG2 MET 1 HG2 MET 1 5.282 1.039 -1.769 6 HG3 MET 1 HG3 MET 1 3.727 1.669 -2.308 7 HE1 MET 1 HE1 MET 1 5.045 3.766 -2.176 8 HE2 MET 1 HE2 MET 1 3.589 4.461 -1.464 9 HE3 MET 1 HE3 MET 1 5.165 4.779 -0.737 10 H ALA 2 H ALA 2 0.566 -0.146 -3.258 11 HA ALA 2 HA ALA 2 0.694 -3.065 -3.446 12 HB1 ALA 2 HB1 ALA 2 -1.084 -1.329 -5.119 13 HB2 ALA 2 HB2 ALA 2 -1.313 -3.006 -4.619 14 HB3 ALA 2 HB3 ALA 2 -1.492 -1.702 -3.444 15 H TYR 3 H TYR 3 0.358 -3.723 -5.942 16 HA TYR 3 HA TYR 3 2.832 -3.453 -7.165 17 HB2 TYR 3 HB2 TYR 3 0.830 -5.100 -7.607 18 HB3 TYR 3 HB3 TYR 3 0.395 -3.921 -8.840 19 HD1 TYR 3 HD2 TYR 3 3.119 -6.173 -7.713 20 HD2 TYR 3 HD1 TYR 3 1.509 -3.879 -10.914 21 HE1 TYR 3 HE2 TYR 3 4.736 -7.202 -9.255 22 HE2 TYR 3 HE1 TYR 3 3.121 -4.902 -12.466 23 HH TYR 3 HH TYR 3 5.566 -7.204 -11.320 24 H SER 4 H SER 4 -0.118 -1.576 -7.617 25 HA SER 4 HA SER 4 -0.562 0.349 -8.751 26 HB2 SER 4 HB2 SER 4 2.367 0.812 -8.142 27 HB3 SER 4 HB3 SER 4 1.263 2.054 -8.731 28 HG SER 4 HG SER 4 1.462 0.892 -6.222 29 H GLU 5 H GLU 5 -1.024 -0.604 -10.751 30 HA GLU 5 HA GLU 5 1.015 -1.162 -12.675 31 HB2 GLU 5 HB2 GLU 5 -1.931 -0.771 -13.203 32 HB3 GLU 5 HB3 GLU 5 -0.778 -1.658 -14.190 33 HG2 GLU 5 HG2 GLU 5 -0.516 -3.301 -12.391 34 HG3 GLU 5 HG3 GLU 5 -1.701 -2.420 -11.428 35 H LYS 6 H LYS 6 2.170 0.835 -12.723 36 HA LYS 6 HA LYS 6 1.446 2.526 -14.850 37 HB2 LYS 6 HB2 LYS 6 1.226 4.652 -13.479 38 HB3 LYS 6 HB3 LYS 6 -0.158 3.567 -13.456 39 HG2 LYS 6 HG2 LYS 6 0.119 3.032 -11.264 40 HG3 LYS 6 HG3 LYS 6 1.869 3.254 -11.315 41 HD2 LYS 6 HD2 LYS 6 1.730 5.430 -10.762 42 HD3 LYS 6 HD3 LYS 6 0.317 5.699 -11.784 43 HE2 LYS 6 HE2 LYS 6 -0.353 4.011 -9.551 44 HE3 LYS 6 HE3 LYS 6 0.394 5.506 -8.992 45 HZ1 LYS 6 HZ1 LYS 6 -1.331 6.372 -10.878 46 HZ2 LYS 6 HZ2 LYS 6 -1.643 6.353 -9.216 47 HZ3 LYS 6 HZ3 LYS 6 -2.187 5.083 -10.193 48 H VAL 7 H VAL 7 3.709 1.109 -14.290 49 HA VAL 7 HA VAL 7 5.675 3.151 -13.489 50 HB VAL 7 HB VAL 7 7.257 1.256 -13.184 51 HG11 VAL 7 HG11 VAL 7 4.732 0.988 -11.558 52 HG12 VAL 7 HG12 VAL 7 6.362 0.524 -11.067 53 HG13 VAL 7 HG13 VAL 7 5.963 2.225 -11.310 54 HG21 VAL 7 HG21 VAL 7 4.965 -0.645 -13.200 55 HG22 VAL 7 HG22 VAL 7 5.718 -0.214 -14.735 56 HG23 VAL 7 HG23 VAL 7 6.683 -0.948 -13.454 57 H ILE 8 H ILE 8 7.785 3.026 -14.648 58 HA ILE 8 HA ILE 8 9.005 3.195 -16.561 59 HB ILE 8 HB ILE 8 7.236 0.959 -17.558 60 HG12 ILE 8 HG12 ILE 8 9.875 0.133 -16.805 61 HG13 ILE 8 HG13 ILE 8 9.142 0.993 -15.456 62 HG21 ILE 8 HG21 ILE 8 8.278 1.472 -19.485 63 HG22 ILE 8 HG22 ILE 8 9.558 2.372 -18.675 64 HG23 ILE 8 HG23 ILE 8 9.635 0.613 -18.758 65 HD11 ILE 8 HD11 ILE 8 7.165 -0.729 -16.431 66 HD12 ILE 8 HD12 ILE 8 8.660 -1.665 -16.392 67 HD13 ILE 8 HD13 ILE 8 8.079 -0.868 -14.930 68 H ASP 9 H ASP 9 7.926 5.297 -16.798 69 HA ASP 9 HA ASP 9 6.003 5.367 -19.022 70 HB2 ASP 9 HB2 ASP 9 5.460 7.644 -18.263 71 HB3 ASP 9 HB3 ASP 9 5.226 6.463 -16.978 72 H HIS 10 H HIS 10 6.300 6.872 -20.727 73 HA HIS 10 HA HIS 10 8.793 8.312 -20.942 74 HB2 HIS 10 HB2 HIS 10 9.407 7.165 -23.099 75 HB3 HIS 10 HB3 HIS 10 9.609 6.178 -21.654 76 HD1 HIS 10 HD1 HIS 10 7.640 4.386 -21.225 77 HD2 HIS 10 HD2 HIS 10 7.820 6.062 -25.023 78 HE1 HIS 10 HE1 HIS 10 6.272 2.871 -22.695 79 H TYR 11 H TYR 11 8.486 10.121 -22.076 80 HA TYR 11 HA TYR 11 5.981 10.398 -23.568 81 HB2 TYR 11 HB2 TYR 11 7.788 12.274 -22.132 82 HB3 TYR 11 HB3 TYR 11 6.917 12.904 -23.526 83 HD1 TYR 11 HD2 TYR 11 6.466 11.256 -20.235 84 HD2 TYR 11 HD1 TYR 11 4.636 13.476 -23.369 85 HE1 TYR 11 HE2 TYR 11 4.470 11.577 -18.834 86 HE2 TYR 11 HE1 TYR 11 2.635 13.804 -21.977 87 HH TYR 11 HH TYR 11 1.532 12.638 -20.035 88 H GLU 12 H GLU 12 6.771 9.201 -25.403 89 HA GLU 12 HA GLU 12 7.578 9.056 -27.525 90 HB2 GLU 12 HB2 GLU 12 6.625 11.508 -27.425 91 HB3 GLU 12 HB3 GLU 12 8.324 11.952 -27.513 92 HG2 GLU 12 HG2 GLU 12 8.239 10.206 -29.530 93 HG3 GLU 12 HG3 GLU 12 6.565 10.756 -29.559 94 H ASN 13 H ASN 13 9.351 8.784 -25.186 95 HA ASN 13 HA ASN 13 11.547 8.398 -24.741 96 HB2 ASN 13 HB2 ASN 13 11.946 8.700 -27.724 97 HB3 ASN 13 HB3 ASN 13 13.019 7.878 -26.595 98 HD21 ASN 13 HD21 ASN 13 10.252 7.632 -28.569 99 HD22 ASN 13 HD22 ASN 13 9.857 5.989 -28.209 100 HA PRO 14 HA PRO 14 12.357 12.973 -25.000 101 HB2 PRO 14 HB2 PRO 14 12.556 13.332 -22.317 102 HB3 PRO 14 HB3 PRO 14 11.017 13.402 -23.184 103 HG2 PRO 14 HG2 PRO 14 12.203 11.149 -21.611 104 HG3 PRO 14 HG3 PRO 14 10.532 11.741 -21.631 105 HD2 PRO 14 HD2 PRO 14 11.317 9.545 -23.008 106 HD3 PRO 14 HD3 PRO 14 10.027 10.621 -23.582 107 H ARG 15 H ARG 15 14.166 14.123 -23.548 108 HA ARG 15 HA ARG 15 16.474 12.303 -23.378 109 HB2 ARG 15 HB2 ARG 15 16.462 15.095 -24.540 110 HB3 ARG 15 HB3 ARG 15 17.890 14.095 -24.308 111 HG2 ARG 15 HG2 ARG 15 17.250 12.591 -25.982 112 HG3 ARG 15 HG3 ARG 15 15.587 13.184 -25.996 113 HD2 ARG 15 HD2 ARG 15 16.916 15.450 -26.608 114 HD3 ARG 15 HD3 ARG 15 17.998 14.251 -27.315 115 HE ARG 15 HE ARG 15 16.457 13.911 -28.961 116 HH11 ARG 15 HH11 ARG 15 14.875 15.409 -26.245 117 HH12 ARG 15 HH12 ARG 15 13.364 15.607 -27.069 118 HH21 ARG 15 HH21 ARG 15 14.472 14.166 -30.055 119 HH22 ARG 15 HH22 ARG 15 13.135 14.899 -29.235 120 H ASN 16 H ASN 16 15.802 12.342 -21.079 121 HA ASN 16 HA ASN 16 15.994 13.051 -18.922 122 HB2 ASN 16 HB2 ASN 16 18.326 14.698 -19.902 123 HB3 ASN 16 HB3 ASN 16 18.103 13.976 -18.311 124 HD21 ASN 16 HD21 ASN 16 17.385 11.442 -18.863 125 HD22 ASN 16 HD22 ASN 16 18.651 10.623 -19.707 126 H VAL 17 H VAL 17 13.993 14.374 -19.951 127 HA VAL 17 HA VAL 17 14.330 17.227 -19.917 128 HB VAL 17 HB VAL 17 12.615 16.279 -21.335 129 HG11 VAL 17 HG11 VAL 17 12.120 14.606 -19.131 130 HG12 VAL 17 HG12 VAL 17 10.645 15.538 -19.392 131 HG13 VAL 17 HG13 VAL 17 11.329 14.582 -20.707 132 HG21 VAL 17 HG21 VAL 17 10.709 17.648 -20.654 133 HG22 VAL 17 HG22 VAL 17 11.395 17.811 -19.038 134 HG23 VAL 17 HG23 VAL 17 12.227 18.515 -20.425 135 H GLY 18 H GLY 18 14.287 18.527 -18.204 136 HA2 GLY 18 HA2 GLY 18 13.478 19.357 -16.160 137 HA3 GLY 18 HA3 GLY 18 12.723 17.799 -15.853 138 H SER 19 H SER 19 16.031 17.897 -16.866 139 HA SER 19 HA SER 19 16.936 17.532 -14.095 140 HB2 SER 19 HB2 SER 19 18.554 15.783 -15.410 141 HB3 SER 19 HB3 SER 19 17.080 15.316 -14.562 142 HG SER 19 HG SER 19 16.216 14.825 -16.407 143 H PHE 20 H PHE 20 19.215 17.895 -13.775 144 HA PHE 20 HA PHE 20 20.312 19.763 -15.763 145 HB2 PHE 20 HB2 PHE 20 19.871 20.186 -13.107 146 HB3 PHE 20 HB3 PHE 20 21.554 19.671 -13.091 147 HD1 PHE 20 HD2 PHE 20 19.223 22.111 -14.625 148 HD2 PHE 20 HD1 PHE 20 23.259 21.149 -13.676 149 HE1 PHE 20 HE2 PHE 20 19.916 24.375 -15.294 150 HE2 PHE 20 HE1 PHE 20 23.959 23.412 -14.342 151 HZ PHE 20 HZ PHE 20 22.286 25.028 -15.153 152 H ASP 21 H ASP 21 20.527 16.809 -15.806 153 HA ASP 21 HA ASP 21 22.073 15.193 -16.231 154 HB2 ASP 21 HB2 ASP 21 24.104 17.374 -16.644 155 HB3 ASP 21 HB3 ASP 21 23.970 15.825 -17.472 156 H ASN 22 H ASN 22 22.235 14.280 -14.201 157 HA ASN 22 HA ASN 22 23.224 13.620 -12.262 158 HB2 ASN 22 HB2 ASN 22 25.273 13.990 -14.118 159 HB3 ASN 22 HB3 ASN 22 25.840 14.817 -12.670 160 HD21 ASN 22 HD21 ASN 22 24.506 11.763 -13.826 161 HD22 ASN 22 HD22 ASN 22 25.306 10.768 -12.661 162 H ASN 23 H ASN 23 24.877 14.580 -10.457 163 HA ASN 23 HA ASN 23 23.526 16.935 -9.495 164 HB2 ASN 23 HB2 ASN 23 25.901 15.623 -8.185 165 HB3 ASN 23 HB3 ASN 23 24.596 16.531 -7.427 166 HD21 ASN 23 HD21 ASN 23 25.481 13.514 -8.947 167 HD22 ASN 23 HD22 ASN 23 24.169 12.586 -8.313 168 H ASP 24 H ASP 24 25.002 18.627 -8.356 169 HA ASP 24 HA ASP 24 27.265 19.312 -10.104 170 HB2 ASP 24 HB2 ASP 24 25.054 20.575 -10.586 171 HB3 ASP 24 HB3 ASP 24 25.387 21.425 -9.079 172 H GLU 25 H GLU 25 27.017 18.160 -7.372 173 HA GLU 25 HA GLU 25 28.102 18.311 -5.378 174 HB2 GLU 25 HB2 GLU 25 29.573 20.700 -6.476 175 HB3 GLU 25 HB3 GLU 25 30.113 19.564 -5.248 176 HG2 GLU 25 HG2 GLU 25 29.817 17.853 -7.255 177 HG3 GLU 25 HG3 GLU 25 30.104 19.315 -8.197 178 H ASN 26 H ASN 26 25.757 20.142 -6.207 179 HA ASN 26 HA ASN 26 25.407 21.352 -3.668 180 HB2 ASN 26 HB2 ASN 26 25.191 23.732 -4.750 181 HB3 ASN 26 HB3 ASN 26 26.767 23.143 -4.228 182 HD21 ASN 26 HD21 ASN 26 24.676 22.934 -7.090 183 HD22 ASN 26 HD22 ASN 26 25.933 23.233 -8.238 184 H VAL 27 H VAL 27 24.044 19.623 -5.595 185 HA VAL 27 HA VAL 27 21.628 21.227 -6.117 186 HB VAL 27 HB VAL 27 22.558 18.669 -7.427 187 HG11 VAL 27 HG11 VAL 27 20.424 18.254 -7.889 188 HG12 VAL 27 HG12 VAL 27 19.913 19.773 -7.150 189 HG13 VAL 27 HG13 VAL 27 20.398 19.736 -8.845 190 HG21 VAL 27 HG21 VAL 27 21.954 21.036 -9.051 191 HG22 VAL 27 HG22 VAL 27 23.334 21.221 -7.968 192 HG23 VAL 27 HG23 VAL 27 23.307 19.908 -9.146 193 H GLY 28 H GLY 28 19.792 20.745 -5.075 194 HA2 GLY 28 HA2 GLY 28 19.812 18.363 -3.339 195 HA3 GLY 28 HA3 GLY 28 18.876 19.822 -3.044 196 H SER 29 H SER 29 18.225 16.858 -3.407 197 HA SER 29 HA SER 29 16.163 17.210 -5.483 198 HB2 SER 29 HB2 SER 29 17.048 14.499 -4.562 199 HB3 SER 29 HB3 SER 29 16.368 14.983 -6.115 200 HG SER 29 HG SER 29 18.985 15.018 -5.236 201 H GLY 30 H GLY 30 14.064 16.819 -4.976 202 HA2 GLY 30 HA2 GLY 30 13.504 15.830 -2.250 203 HA3 GLY 30 HA3 GLY 30 12.687 17.245 -2.898 204 H MET 31 H MET 31 12.431 13.979 -2.394 205 HA MET 31 HA MET 31 10.328 13.754 -4.446 206 HB2 MET 31 HB2 MET 31 12.186 12.305 -5.042 207 HB3 MET 31 HB3 MET 31 12.181 11.590 -3.435 208 HG2 MET 31 HG2 MET 31 9.622 11.420 -4.846 209 HG3 MET 31 HG3 MET 31 10.947 10.546 -5.613 210 HE1 MET 31 HE1 MET 31 8.578 10.249 -2.079 211 HE2 MET 31 HE2 MET 31 8.171 10.440 -3.784 212 HE3 MET 31 HE3 MET 31 8.181 8.834 -3.054 213 H VAL 32 H VAL 32 8.350 13.387 -3.684 214 HA VAL 32 HA VAL 32 8.031 12.054 -1.091 215 HB VAL 32 HB VAL 32 6.392 13.660 -0.329 216 HG11 VAL 32 HG11 VAL 32 7.849 15.623 0.007 217 HG12 VAL 32 HG12 VAL 32 8.689 14.097 0.291 218 HG13 VAL 32 HG13 VAL 32 8.954 14.985 -1.210 219 HG21 VAL 32 HG21 VAL 32 6.027 15.775 -1.572 220 HG22 VAL 32 HG22 VAL 32 6.957 15.109 -2.914 221 HG23 VAL 32 HG23 VAL 32 5.439 14.352 -2.432 222 H GLY 33 H GLY 33 6.014 11.020 -0.785 223 HA2 GLY 33 HA2 GLY 33 4.067 11.051 -2.933 224 HA3 GLY 33 HA3 GLY 33 4.961 9.547 -2.771 225 H ALA 34 H ALA 34 2.373 9.249 -2.514 226 HA ALA 34 HA ALA 34 2.040 8.670 0.325 227 HB1 ALA 34 HB1 ALA 34 0.684 10.411 0.638 228 HB2 ALA 34 HB2 ALA 34 0.574 10.740 -1.091 229 HB3 ALA 34 HB3 ALA 34 -0.487 9.541 -0.353 230 HA PRO 35 HA PRO 35 0.320 4.916 -1.175 231 HB2 PRO 35 HB2 PRO 35 -1.317 4.259 0.889 232 HB3 PRO 35 HB3 PRO 35 0.445 4.148 0.987 233 HG2 PRO 35 HG2 PRO 35 -1.377 6.299 1.995 234 HG3 PRO 35 HG3 PRO 35 0.026 5.559 2.787 235 HD2 PRO 35 HD2 PRO 35 0.151 7.968 1.556 236 HD3 PRO 35 HD3 PRO 35 1.530 6.851 1.611 237 H ALA 36 H ALA 36 -2.129 7.012 0.360 238 HA ALA 36 HA ALA 36 -4.229 5.971 -1.315 239 HB1 ALA 36 HB1 ALA 36 -5.699 7.388 -0.101 240 HB2 ALA 36 HB2 ALA 36 -4.547 6.727 1.059 241 HB3 ALA 36 HB3 ALA 36 -4.364 8.383 0.481 242 H CYS 37 H CYS 37 -1.981 8.580 -1.440 243 HA CYS 37 HA CYS 37 -3.488 10.208 -3.262 244 HB2 CYS 37 HB2 CYS 37 -1.602 10.931 -1.633 245 HB3 CYS 37 HB3 CYS 37 -0.509 10.380 -2.897 246 HG CYS 37 HG CYS 37 -2.379 13.152 -2.750 247 H GLY 38 H GLY 38 -1.149 7.630 -3.514 248 HA2 GLY 38 HA2 GLY 38 -0.246 6.537 -5.323 249 HA3 GLY 38 HA3 GLY 38 -1.784 6.889 -6.095 250 H ALA 39 H ALA 39 1.105 8.763 -5.159 251 HA ALA 39 HA ALA 39 1.734 9.394 -7.877 252 HB1 ALA 39 HB1 ALA 39 0.926 11.484 -8.128 253 HB2 ALA 39 HB2 ALA 39 -0.260 10.942 -6.939 254 HB3 ALA 39 HB3 ALA 39 1.137 11.887 -6.423 255 H VAL 40 H VAL 40 3.485 11.187 -7.914 256 HA VAL 40 HA VAL 40 5.074 11.257 -5.466 257 HB VAL 40 HB VAL 40 6.287 10.324 -8.068 258 HG11 VAL 40 HG11 VAL 40 7.952 9.583 -6.029 259 HG12 VAL 40 HG12 VAL 40 8.144 11.025 -7.029 260 HG13 VAL 40 HG13 VAL 40 7.338 11.136 -5.463 261 HG21 VAL 40 HG21 VAL 40 4.775 8.615 -7.229 262 HG22 VAL 40 HG22 VAL 40 6.452 8.110 -7.018 263 HG23 VAL 40 HG23 VAL 40 5.529 8.704 -5.638 264 H MET 41 H MET 41 6.107 13.147 -5.203 265 HA MET 41 HA MET 41 6.058 15.036 -7.455 266 HB2 MET 41 HB2 MET 41 5.454 15.277 -4.631 267 HB3 MET 41 HB3 MET 41 6.662 16.456 -5.125 268 HG2 MET 41 HG2 MET 41 5.014 17.728 -5.862 269 HG3 MET 41 HG3 MET 41 4.726 16.530 -7.122 270 HE1 MET 41 HE1 MET 41 3.050 18.659 -5.893 271 HE2 MET 41 HE2 MET 41 1.575 17.814 -6.363 272 HE3 MET 41 HE3 MET 41 1.856 18.224 -4.670 273 H LYS 42 H LYS 42 7.952 15.001 -8.492 274 HA LYS 42 HA LYS 42 10.418 15.018 -6.879 275 HB2 LYS 42 HB2 LYS 42 10.164 14.152 -9.761 276 HB3 LYS 42 HB3 LYS 42 11.565 13.970 -8.714 277 HG2 LYS 42 HG2 LYS 42 9.349 12.702 -7.466 278 HG3 LYS 42 HG3 LYS 42 9.437 12.159 -9.144 279 HD2 LYS 42 HD2 LYS 42 11.739 12.142 -7.191 280 HD3 LYS 42 HD3 LYS 42 10.751 10.739 -7.607 281 HE2 LYS 42 HE2 LYS 42 12.335 12.352 -9.601 282 HE3 LYS 42 HE3 LYS 42 12.920 10.876 -8.835 283 HZ1 LYS 42 HZ1 LYS 42 12.025 9.966 -10.679 284 HZ2 LYS 42 HZ2 LYS 42 10.913 11.218 -10.916 285 HZ3 LYS 42 HZ3 LYS 42 10.602 10.017 -9.766 286 H LEU 43 H LEU 43 11.484 16.876 -6.864 287 HA LEU 43 HA LEU 43 11.408 18.584 -9.251 288 HB2 LEU 43 HB2 LEU 43 10.658 19.284 -6.459 289 HB3 LEU 43 HB3 LEU 43 11.491 20.497 -7.429 290 HG LEU 43 HG LEU 43 9.672 20.270 -9.130 291 HD11 LEU 43 HD11 LEU 43 8.857 18.172 -7.283 292 HD12 LEU 43 HD12 LEU 43 8.406 18.442 -8.966 293 HD13 LEU 43 HD13 LEU 43 7.556 19.296 -7.678 294 HD21 LEU 43 HD21 LEU 43 9.793 21.976 -7.216 295 HD22 LEU 43 HD22 LEU 43 8.519 21.015 -6.463 296 HD23 LEU 43 HD23 LEU 43 8.248 21.761 -8.039 297 H GLN 44 H GLN 44 13.255 19.819 -9.620 298 HA GLN 44 HA GLN 44 15.591 19.012 -8.026 299 HB2 GLN 44 HB2 GLN 44 15.114 19.261 -10.878 300 HB3 GLN 44 HB3 GLN 44 16.519 20.192 -10.376 301 HG2 GLN 44 HG2 GLN 44 16.741 17.717 -9.087 302 HG3 GLN 44 HG3 GLN 44 16.241 17.364 -10.741 303 HE21 GLN 44 HE21 GLN 44 18.789 16.879 -9.380 304 HE22 GLN 44 HE22 GLN 44 19.991 17.674 -10.333 305 H ILE 45 H ILE 45 17.295 20.605 -7.720 306 HA ILE 45 HA ILE 45 16.552 23.399 -8.028 307 HB ILE 45 HB ILE 45 16.880 23.972 -5.699 308 HG12 ILE 45 HG12 ILE 45 16.724 21.457 -4.398 309 HG13 ILE 45 HG13 ILE 45 18.025 21.345 -5.578 310 HG21 ILE 45 HG21 ILE 45 14.869 22.975 -4.747 311 HG22 ILE 45 HG22 ILE 45 14.619 23.406 -6.438 312 HG23 ILE 45 HG23 ILE 45 14.892 21.723 -5.989 313 HD11 ILE 45 HD11 ILE 45 18.789 23.603 -4.561 314 HD12 ILE 45 HD12 ILE 45 17.776 23.122 -3.200 315 HD13 ILE 45 HD13 ILE 45 19.120 22.097 -3.704 316 H LYS 46 H LYS 46 18.338 24.867 -7.410 317 HA LYS 46 HA LYS 46 20.975 23.595 -7.355 318 HB2 LYS 46 HB2 LYS 46 19.884 24.659 -9.693 319 HB3 LYS 46 HB3 LYS 46 20.969 25.912 -9.105 320 HG2 LYS 46 HG2 LYS 46 22.116 23.226 -9.029 321 HG3 LYS 46 HG3 LYS 46 21.696 23.788 -10.649 322 HD2 LYS 46 HD2 LYS 46 23.976 24.408 -10.150 323 HD3 LYS 46 HD3 LYS 46 22.977 25.861 -10.219 324 HE2 LYS 46 HE2 LYS 46 22.967 26.086 -7.872 325 HE3 LYS 46 HE3 LYS 46 23.578 24.449 -7.635 326 HZ1 LYS 46 HZ1 LYS 46 25.496 25.642 -9.147 327 HZ2 LYS 46 HZ2 LYS 46 25.565 25.407 -7.473 328 HZ3 LYS 46 HZ3 LYS 46 25.019 26.881 -8.098 329 H VAL 47 H VAL 47 21.980 24.401 -5.643 330 HA VAL 47 HA VAL 47 21.481 27.207 -4.898 331 HB VAL 47 HB VAL 47 22.570 25.042 -3.100 332 HG11 VAL 47 HG11 VAL 47 23.182 27.063 -2.154 333 HG12 VAL 47 HG12 VAL 47 21.727 27.887 -2.718 334 HG13 VAL 47 HG13 VAL 47 21.631 26.742 -1.379 335 HG21 VAL 47 HG21 VAL 47 19.879 25.474 -4.015 336 HG22 VAL 47 HG22 VAL 47 20.514 24.205 -2.969 337 HG23 VAL 47 HG23 VAL 47 19.988 25.738 -2.275 338 H ASN 48 H ASN 48 23.210 28.547 -4.368 339 HA ASN 48 HA ASN 48 25.787 27.674 -5.460 340 HB2 ASN 48 HB2 ASN 48 26.236 29.879 -6.006 341 HB3 ASN 48 HB3 ASN 48 24.485 29.834 -6.182 342 HD21 ASN 48 HD21 ASN 48 23.256 30.431 -4.178 343 HD22 ASN 48 HD22 ASN 48 23.865 31.758 -3.254 344 H ASP 49 H ASP 49 27.557 29.329 -4.298 345 HA ASP 49 HA ASP 49 28.134 28.099 -1.858 346 HB2 ASP 49 HB2 ASP 49 29.159 30.583 -3.204 347 HB3 ASP 49 HB3 ASP 49 29.718 30.140 -1.593 348 H GLU 50 H GLU 50 26.855 31.362 -2.490 349 HA GLU 50 HA GLU 50 26.654 32.285 0.097 350 HB2 GLU 50 HB2 GLU 50 25.408 32.913 -2.465 351 HB3 GLU 50 HB3 GLU 50 24.349 33.248 -1.102 352 HG2 GLU 50 HG2 GLU 50 25.847 35.130 -1.920 353 HG3 GLU 50 HG3 GLU 50 25.817 34.809 -0.187 354 H GLY 51 H GLY 51 24.309 30.316 -1.702 355 HA2 GLY 51 HA2 GLY 51 23.179 28.537 -0.446 356 HA3 GLY 51 HA3 GLY 51 23.035 29.675 0.886 357 H ILE 52 H ILE 52 22.477 30.562 -2.454 358 HA ILE 52 HA ILE 52 19.607 30.828 -1.836 359 HB ILE 52 HB ILE 52 21.300 32.596 -3.606 360 HG12 ILE 52 HG12 ILE 52 21.631 33.004 -1.210 361 HG13 ILE 52 HG13 ILE 52 20.771 34.344 -1.961 362 HG21 ILE 52 HG21 ILE 52 19.105 33.961 -3.587 363 HG22 ILE 52 HG22 ILE 52 19.241 32.577 -4.670 364 HG23 ILE 52 HG23 ILE 52 18.347 32.428 -3.158 365 HD11 ILE 52 HD11 ILE 52 19.794 33.854 0.173 366 HD12 ILE 52 HD12 ILE 52 18.655 33.411 -1.099 367 HD13 ILE 52 HD13 ILE 52 19.581 32.160 -0.270 368 H ILE 53 H ILE 53 18.127 30.201 -3.365 369 HA ILE 53 HA ILE 53 18.971 28.240 -5.250 370 HB ILE 53 HB ILE 53 16.270 29.541 -4.886 371 HG12 ILE 53 HG12 ILE 53 17.114 28.270 -2.926 372 HG13 ILE 53 HG13 ILE 53 15.686 27.537 -3.647 373 HG21 ILE 53 HG21 ILE 53 17.245 27.393 -6.701 374 HG22 ILE 53 HG22 ILE 53 15.621 27.263 -6.027 375 HG23 ILE 53 HG23 ILE 53 16.064 28.669 -6.994 376 HD11 ILE 53 HD11 ILE 53 18.141 26.487 -4.769 377 HD12 ILE 53 HD12 ILE 53 18.043 26.264 -3.022 378 HD13 ILE 53 HD13 ILE 53 16.763 25.643 -4.064 379 H GLU 54 H GLU 54 19.759 28.595 -7.208 380 HA GLU 54 HA GLU 54 19.065 31.107 -8.576 381 HB2 GLU 54 HB2 GLU 54 21.408 31.031 -8.260 382 HB3 GLU 54 HB3 GLU 54 21.496 29.337 -8.721 383 HG2 GLU 54 HG2 GLU 54 20.485 31.225 -10.756 384 HG3 GLU 54 HG3 GLU 54 22.196 31.323 -10.347 385 H ASP 55 H ASP 55 18.928 27.664 -8.755 386 HA ASP 55 HA ASP 55 17.494 27.879 -11.302 387 HB2 ASP 55 HB2 ASP 55 20.058 26.663 -10.969 388 HB3 ASP 55 HB3 ASP 55 18.882 25.397 -11.312 389 H ALA 56 H ALA 56 15.828 26.413 -11.582 390 HA ALA 56 HA ALA 56 15.366 24.424 -9.489 391 HB1 ALA 56 HB1 ALA 56 13.354 25.241 -8.757 392 HB2 ALA 56 HB2 ALA 56 14.223 26.746 -9.058 393 HB3 ALA 56 HB3 ALA 56 13.057 26.150 -10.239 394 H ARG 57 H ARG 57 14.891 22.559 -10.432 395 HA ARG 57 HA ARG 57 13.566 22.610 -13.063 396 HB2 ARG 57 HB2 ARG 57 15.870 21.113 -12.037 397 HB3 ARG 57 HB3 ARG 57 14.684 20.108 -12.861 398 HG2 ARG 57 HG2 ARG 57 16.004 22.558 -14.013 399 HG3 ARG 57 HG3 ARG 57 16.439 20.886 -14.372 400 HD2 ARG 57 HD2 ARG 57 15.016 21.121 -16.093 401 HD3 ARG 57 HD3 ARG 57 13.772 20.855 -14.873 402 HE ARG 57 HE ARG 57 14.513 23.609 -15.128 403 HH11 ARG 57 HH11 ARG 57 12.531 21.072 -16.452 404 HH12 ARG 57 HH12 ARG 57 11.357 22.158 -17.118 405 HH21 ARG 57 HH21 ARG 57 12.974 25.050 -16.000 406 HH22 ARG 57 HH22 ARG 57 11.610 24.421 -16.861 407 H PHE 58 H PHE 58 12.494 20.354 -13.492 408 HA PHE 58 HA PHE 58 11.341 19.063 -11.204 409 HB2 PHE 58 HB2 PHE 58 8.996 19.654 -11.735 410 HB3 PHE 58 HB3 PHE 58 9.941 21.052 -11.233 411 HD1 PHE 58 HD2 PHE 58 8.274 19.398 -14.042 412 HD2 PHE 58 HD1 PHE 58 10.443 22.831 -12.767 413 HE1 PHE 58 HE2 PHE 58 7.615 20.574 -16.100 414 HE2 PHE 58 HE1 PHE 58 9.787 24.013 -14.823 415 HZ PHE 58 HZ PHE 58 8.373 22.884 -16.493 416 H LYS 59 H LYS 59 10.494 17.082 -11.700 417 HA LYS 59 HA LYS 59 10.465 16.351 -14.555 418 HB2 LYS 59 HB2 LYS 59 11.778 15.103 -12.242 419 HB3 LYS 59 HB3 LYS 59 10.871 13.977 -13.244 420 HG2 LYS 59 HG2 LYS 59 12.637 15.864 -14.669 421 HG3 LYS 59 HG3 LYS 59 13.428 14.625 -13.691 422 HD2 LYS 59 HD2 LYS 59 11.780 13.007 -14.889 423 HD3 LYS 59 HD3 LYS 59 11.639 14.310 -16.070 424 HE2 LYS 59 HE2 LYS 59 14.225 14.272 -16.064 425 HE3 LYS 59 HE3 LYS 59 14.041 12.681 -15.327 426 HZ1 LYS 59 HZ1 LYS 59 12.366 12.992 -17.613 427 HZ2 LYS 59 HZ2 LYS 59 13.512 11.795 -17.277 428 HZ3 LYS 59 HZ3 LYS 59 13.992 13.246 -18.003 429 H THR 60 H THR 60 8.881 14.894 -15.256 430 HA THR 60 HA THR 60 6.438 14.974 -13.704 431 HB THR 60 HB THR 60 6.740 13.562 -16.341 432 HG1 THR 60 HG1 THR 60 6.041 15.784 -17.126 433 HG21 THR 60 HG21 THR 60 4.474 15.050 -15.010 434 HG22 THR 60 HG22 THR 60 4.611 13.303 -15.213 435 HG23 THR 60 HG23 THR 60 4.408 14.342 -16.623 436 H TYR 61 H TYR 61 5.288 13.204 -12.952 437 HA TYR 61 HA TYR 61 6.028 10.512 -13.384 438 HB2 TYR 61 HB2 TYR 61 7.796 11.695 -11.698 439 HB3 TYR 61 HB3 TYR 61 6.593 11.120 -10.549 440 HD1 TYR 61 HD1 TYR 61 8.279 9.790 -13.618 441 HD2 TYR 61 HD2 TYR 61 7.076 9.083 -9.599 442 HE1 TYR 61 HE1 TYR 61 9.264 7.539 -13.726 443 HE2 TYR 61 HE2 TYR 61 8.059 6.831 -9.694 444 HH TYR 61 HH TYR 61 9.434 5.471 -10.882 445 H GLY 62 H GLY 62 3.889 10.048 -13.581 446 HA2 GLY 62 HA2 GLY 62 2.275 9.068 -11.793 447 HA3 GLY 62 HA3 GLY 62 2.099 10.763 -11.364 448 H CYS 63 H CYS 63 0.167 8.753 -12.433 449 HA CYS 63 HA CYS 63 -0.475 9.747 -15.078 450 HB2 CYS 63 HB2 CYS 63 -0.824 7.386 -14.633 451 HB3 CYS 63 HB3 CYS 63 -1.881 7.764 -13.279 452 HG CYS 63 HG CYS 63 -3.033 6.858 -15.922 453 H GLY 64 H GLY 64 -1.402 11.683 -15.241 454 HA2 GLY 64 HA2 GLY 64 -3.951 12.281 -14.369 455 HA3 GLY 64 HA3 GLY 64 -2.876 12.896 -13.122 456 H SER 65 H SER 65 -4.283 14.798 -14.140 457 HA SER 65 HA SER 65 -3.325 15.920 -16.573 458 HB2 SER 65 HB2 SER 65 -4.652 17.519 -14.397 459 HB3 SER 65 HB3 SER 65 -4.767 17.725 -16.144 460 HG SER 65 HG SER 65 -6.461 16.473 -14.664 461 H ALA 66 H ALA 66 -2.351 18.147 -16.652 462 HA ALA 66 HA ALA 66 0.195 18.167 -15.566 463 HB1 ALA 66 HB1 ALA 66 -0.604 19.510 -17.518 464 HB2 ALA 66 HB2 ALA 66 -1.339 20.631 -16.371 465 HB3 ALA 66 HB3 ALA 66 0.409 20.399 -16.380 466 H ILE 67 H ILE 67 0.808 18.319 -13.519 467 HA ILE 67 HA ILE 67 -0.912 19.421 -11.497 468 HB ILE 67 HB ILE 67 1.966 18.570 -11.181 469 HG12 ILE 67 HG12 ILE 67 0.612 16.768 -12.201 470 HG13 ILE 67 HG13 ILE 67 1.127 16.366 -10.567 471 HG21 ILE 67 HG21 ILE 67 -0.311 18.998 -9.266 472 HG22 ILE 67 HG22 ILE 67 1.127 18.072 -8.840 473 HG23 ILE 67 HG23 ILE 67 1.272 19.774 -9.277 474 HD11 ILE 67 HD11 ILE 67 -1.010 16.602 -9.704 475 HD12 ILE 67 HD12 ILE 67 -1.560 17.571 -11.072 476 HD13 ILE 67 HD13 ILE 67 -1.281 15.841 -11.272 477 H ALA 68 H ALA 68 -1.076 21.519 -11.104 478 HA ALA 68 HA ALA 68 0.966 23.372 -11.970 479 HB1 ALA 68 HB1 ALA 68 -0.576 25.064 -11.594 480 HB2 ALA 68 HB2 ALA 68 -1.596 23.699 -12.052 481 HB3 ALA 68 HB3 ALA 68 -1.432 24.147 -10.354 482 H SER 69 H SER 69 -0.072 21.878 -9.006 483 HA SER 69 HA SER 69 0.949 23.641 -7.116 484 HB2 SER 69 HB2 SER 69 0.830 21.861 -5.562 485 HB3 SER 69 HB3 SER 69 -0.430 21.509 -6.746 486 HG SER 69 HG SER 69 0.574 19.639 -6.759 487 H SER 70 H SER 70 2.584 21.412 -9.222 488 HA SER 70 HA SER 70 5.094 21.587 -7.787 489 HB2 SER 70 HB2 SER 70 4.194 20.190 -10.294 490 HB3 SER 70 HB3 SER 70 5.908 20.323 -9.903 491 HG SER 70 HG SER 70 4.479 18.439 -9.096 492 H SER 71 H SER 71 3.770 22.710 -10.882 493 HA SER 71 HA SER 71 6.100 24.044 -11.750 494 HB2 SER 71 HB2 SER 71 3.231 24.030 -12.531 495 HB3 SER 71 HB3 SER 71 4.194 25.413 -13.052 496 HG SER 71 HG SER 71 4.774 24.114 -14.602 497 H LEU 72 H LEU 72 3.671 24.869 -9.456 498 HA LEU 72 HA LEU 72 4.177 27.707 -9.521 499 HB2 LEU 72 HB2 LEU 72 1.981 27.020 -8.922 500 HB3 LEU 72 HB3 LEU 72 2.594 25.934 -7.677 501 HG LEU 72 HG LEU 72 3.440 28.049 -6.508 502 HD11 LEU 72 HD11 LEU 72 2.427 30.118 -7.051 503 HD12 LEU 72 HD12 LEU 72 1.355 29.365 -8.231 504 HD13 LEU 72 HD13 LEU 72 3.085 29.473 -8.555 505 HD21 LEU 72 HD21 LEU 72 1.298 28.404 -5.432 506 HD22 LEU 72 HD22 LEU 72 1.537 26.686 -5.749 507 HD23 LEU 72 HD23 LEU 72 0.465 27.633 -6.781 508 H VAL 73 H VAL 73 4.857 25.044 -7.263 509 HA VAL 73 HA VAL 73 6.295 26.581 -5.392 510 HB VAL 73 HB VAL 73 7.231 24.418 -4.615 511 HG11 VAL 73 HG11 VAL 73 5.285 24.746 -3.501 512 HG12 VAL 73 HG12 VAL 73 4.343 24.942 -4.980 513 HG13 VAL 73 HG13 VAL 73 4.796 23.328 -4.429 514 HG21 VAL 73 HG21 VAL 73 5.713 23.284 -6.963 515 HG22 VAL 73 HG22 VAL 73 7.466 23.314 -6.772 516 HG23 VAL 73 HG23 VAL 73 6.478 22.341 -5.684 517 H THR 74 H THR 74 7.178 25.198 -8.444 518 HA THR 74 HA THR 74 10.003 25.225 -8.042 519 HB THR 74 HB THR 74 9.897 25.276 -10.690 520 HG1 THR 74 HG1 THR 74 7.851 25.499 -11.250 521 HG21 THR 74 HG21 THR 74 10.414 23.117 -10.449 522 HG22 THR 74 HG22 THR 74 8.794 22.729 -9.869 523 HG23 THR 74 HG23 THR 74 10.024 23.294 -8.738 524 H GLU 75 H GLU 75 7.766 27.380 -9.786 525 HA GLU 75 HA GLU 75 9.729 29.259 -10.550 526 HB2 GLU 75 HB2 GLU 75 7.793 30.775 -10.950 527 HB3 GLU 75 HB3 GLU 75 7.625 29.198 -11.710 528 HG2 GLU 75 HG2 GLU 75 6.152 28.477 -9.905 529 HG3 GLU 75 HG3 GLU 75 6.325 30.052 -9.133 530 H TRP 76 H TRP 76 8.138 28.667 -7.573 531 HA TRP 76 HA TRP 76 8.512 31.317 -6.501 532 HB2 TRP 76 HB2 TRP 76 7.212 28.847 -5.669 533 HB3 TRP 76 HB3 TRP 76 8.102 29.605 -4.351 534 HD1 TRP 76 HD1 TRP 76 4.757 29.474 -5.280 535 HE1 TRP 76 HE1 TRP 76 3.464 31.660 -4.858 536 HE3 TRP 76 HE3 TRP 76 8.712 32.682 -4.826 537 HZ2 TRP 76 HZ2 TRP 76 4.044 34.383 -4.395 538 HZ3 TRP 76 HZ3 TRP 76 8.257 35.061 -4.395 539 HH2 TRP 76 HH2 TRP 76 5.971 35.892 -4.184 540 H VAL 77 H VAL 77 10.035 28.139 -6.076 541 HA VAL 77 HA VAL 77 11.954 29.002 -4.176 542 HB VAL 77 HB VAL 77 13.141 26.901 -4.698 543 HG11 VAL 77 HG11 VAL 77 10.481 27.190 -3.713 544 HG12 VAL 77 HG12 VAL 77 10.614 25.645 -4.556 545 HG13 VAL 77 HG13 VAL 77 11.719 26.029 -3.235 546 HG21 VAL 77 HG21 VAL 77 12.352 25.381 -6.367 547 HG22 VAL 77 HG22 VAL 77 10.979 26.423 -6.744 548 HG23 VAL 77 HG23 VAL 77 12.616 26.943 -7.142 549 H LYS 78 H LYS 78 11.801 29.117 -7.640 550 HA LYS 78 HA LYS 78 14.534 29.351 -8.238 551 HB2 LYS 78 HB2 LYS 78 11.994 29.837 -9.604 552 HB3 LYS 78 HB3 LYS 78 13.274 30.925 -10.123 553 HG2 LYS 78 HG2 LYS 78 14.506 28.460 -10.091 554 HG3 LYS 78 HG3 LYS 78 12.883 28.108 -10.687 555 HD2 LYS 78 HD2 LYS 78 13.529 30.376 -12.074 556 HD3 LYS 78 HD3 LYS 78 15.086 29.552 -11.963 557 HE2 LYS 78 HE2 LYS 78 13.884 27.474 -12.775 558 HE3 LYS 78 HE3 LYS 78 12.517 28.524 -13.145 559 HZ1 LYS 78 HZ1 LYS 78 15.235 28.611 -14.322 560 HZ2 LYS 78 HZ2 LYS 78 14.108 29.857 -14.523 561 HZ3 LYS 78 HZ3 LYS 78 13.771 28.309 -15.115 562 H GLY 79 H GLY 79 15.635 30.710 -6.866 563 HA2 GLY 79 HA2 GLY 79 16.620 32.914 -6.859 564 HA3 GLY 79 HA3 GLY 79 15.029 33.575 -7.207 565 H LYS 80 H LYS 80 14.765 31.127 -4.949 566 HA LYS 80 HA LYS 80 14.641 33.099 -2.771 567 HB2 LYS 80 HB2 LYS 80 12.802 31.146 -3.653 568 HB3 LYS 80 HB3 LYS 80 13.412 30.587 -2.100 569 HG2 LYS 80 HG2 LYS 80 11.592 31.846 -1.479 570 HG3 LYS 80 HG3 LYS 80 12.909 33.010 -1.320 571 HD2 LYS 80 HD2 LYS 80 12.294 34.161 -3.239 572 HD3 LYS 80 HD3 LYS 80 11.399 32.788 -3.895 573 HE2 LYS 80 HE2 LYS 80 9.510 33.410 -2.876 574 HE3 LYS 80 HE3 LYS 80 10.337 33.704 -1.347 575 HZ1 LYS 80 HZ1 LYS 80 11.100 35.849 -2.310 576 HZ2 LYS 80 HZ2 LYS 80 9.426 35.749 -2.095 577 HZ3 LYS 80 HZ3 LYS 80 10.091 35.571 -3.640 578 H SER 81 H SER 81 15.310 32.426 -0.636 579 HA SER 81 HA SER 81 17.790 30.983 -0.707 580 HB2 SER 81 HB2 SER 81 17.385 33.009 0.718 581 HB3 SER 81 HB3 SER 81 16.313 32.029 1.718 582 HG SER 81 HG SER 81 18.483 32.149 2.520 583 H LEU 82 H LEU 82 18.117 29.496 1.388 584 HA LEU 82 HA LEU 82 16.590 27.151 0.866 585 HB2 LEU 82 HB2 LEU 82 18.389 27.603 3.231 586 HB3 LEU 82 HB3 LEU 82 17.969 26.073 2.463 587 HG LEU 82 HG LEU 82 19.559 28.194 1.042 588 HD11 LEU 82 HD11 LEU 82 21.558 27.346 1.832 589 HD12 LEU 82 HD12 LEU 82 20.824 25.840 2.382 590 HD13 LEU 82 HD13 LEU 82 20.549 27.333 3.279 591 HD21 LEU 82 HD21 LEU 82 18.729 25.403 0.530 592 HD22 LEU 82 HD22 LEU 82 20.371 25.841 0.057 593 HD23 LEU 82 HD23 LEU 82 18.997 26.735 -0.595 594 H ASP 83 H ASP 83 16.738 29.425 3.582 595 HA ASP 83 HA ASP 83 14.815 28.069 5.171 596 HB2 ASP 83 HB2 ASP 83 16.174 30.712 5.241 597 HB3 ASP 83 HB3 ASP 83 14.671 30.560 6.147 598 H GLU 84 H GLU 84 14.623 30.763 2.884 599 HA GLU 84 HA GLU 84 11.986 31.524 3.296 600 HB2 GLU 84 HB2 GLU 84 13.876 31.675 1.000 601 HB3 GLU 84 HB3 GLU 84 12.176 31.988 0.676 602 HG2 GLU 84 HG2 GLU 84 13.653 33.984 1.197 603 HG3 GLU 84 HG3 GLU 84 12.129 33.856 2.072 604 H ALA 85 H ALA 85 13.203 29.240 0.840 605 HA ALA 85 HA ALA 85 10.701 28.416 -0.102 606 HB1 ALA 85 HB1 ALA 85 12.376 27.783 -1.520 607 HB2 ALA 85 HB2 ALA 85 13.454 27.298 -0.211 608 HB3 ALA 85 HB3 ALA 85 12.106 26.259 -0.674 609 H GLN 86 H GLN 86 12.746 27.093 2.472 610 HA GLN 86 HA GLN 86 11.056 24.883 3.046 611 HB2 GLN 86 HB2 GLN 86 13.570 25.388 3.692 612 HB3 GLN 86 HB3 GLN 86 12.830 26.062 5.138 613 HG2 GLN 86 HG2 GLN 86 11.616 23.565 4.721 614 HG3 GLN 86 HG3 GLN 86 13.345 23.332 4.469 615 HE21 GLN 86 HE21 GLN 86 11.334 25.258 6.675 616 HE22 GLN 86 HE22 GLN 86 12.130 24.745 8.120 617 H ALA 87 H ALA 87 10.772 28.191 3.667 618 HA ALA 87 HA ALA 87 9.207 27.906 6.093 619 HB1 ALA 87 HB1 ALA 87 10.364 30.136 4.560 620 HB2 ALA 87 HB2 ALA 87 8.837 30.480 5.374 621 HB3 ALA 87 HB3 ALA 87 10.222 29.905 6.303 622 H ILE 88 H ILE 88 8.689 28.006 2.695 623 HA ILE 88 HA ILE 88 6.163 29.074 2.434 624 HB ILE 88 HB ILE 88 7.293 26.674 0.991 625 HG12 ILE 88 HG12 ILE 88 7.182 29.574 0.140 626 HG13 ILE 88 HG13 ILE 88 8.602 28.806 0.842 627 HG21 ILE 88 HG21 ILE 88 5.649 27.397 -0.798 628 HG22 ILE 88 HG22 ILE 88 4.964 26.621 0.629 629 HG23 ILE 88 HG23 ILE 88 4.873 28.373 0.449 630 HD11 ILE 88 HD11 ILE 88 7.350 28.379 -1.831 631 HD12 ILE 88 HD12 ILE 88 9.033 28.706 -1.417 632 HD13 ILE 88 HD13 ILE 88 8.339 27.117 -1.098 633 H LYS 89 H LYS 89 4.098 28.393 2.763 634 HA LYS 89 HA LYS 89 3.772 25.843 4.202 635 HB2 LYS 89 HB2 LYS 89 2.341 28.479 4.465 636 HB3 LYS 89 HB3 LYS 89 1.640 26.986 5.076 637 HG2 LYS 89 HG2 LYS 89 2.690 27.573 6.968 638 HG3 LYS 89 HG3 LYS 89 4.093 26.846 6.181 639 HD2 LYS 89 HD2 LYS 89 4.959 28.879 6.807 640 HD3 LYS 89 HD3 LYS 89 4.385 29.257 5.182 641 HE2 LYS 89 HE2 LYS 89 3.650 31.027 6.561 642 HE3 LYS 89 HE3 LYS 89 2.232 30.024 6.263 643 HZ1 LYS 89 HZ1 LYS 89 3.795 29.390 8.635 644 HZ2 LYS 89 HZ2 LYS 89 2.119 29.388 8.411 645 HZ3 LYS 89 HZ3 LYS 89 2.935 30.846 8.675 646 H ASN 90 H ASN 90 2.246 24.408 3.539 647 HA ASN 90 HA ASN 90 1.452 24.259 0.921 648 HB2 ASN 90 HB2 ASN 90 0.034 22.472 1.539 649 HB3 ASN 90 HB3 ASN 90 1.326 22.461 2.736 650 HD21 ASN 90 HD21 ASN 90 -2.023 23.177 2.136 651 HD22 ASN 90 HD22 ASN 90 -2.508 23.267 3.792 652 H THR 91 H THR 91 -0.173 25.867 3.585 653 HA THR 91 HA THR 91 -2.682 26.309 2.533 654 HB THR 91 HB THR 91 -2.109 26.979 4.804 655 HG1 THR 91 HG1 THR 91 -3.800 28.112 3.500 656 HG21 THR 91 HG21 THR 91 -0.514 28.492 5.372 657 HG22 THR 91 HG22 THR 91 -0.799 29.490 3.946 658 HG23 THR 91 HG23 THR 91 0.162 28.018 3.815 659 H ASP 92 H ASP 92 0.325 28.014 1.849 660 HA ASP 92 HA ASP 92 -0.859 30.080 0.290 661 HB2 ASP 92 HB2 ASP 92 1.857 29.190 0.975 662 HB3 ASP 92 HB3 ASP 92 1.720 29.921 -0.622 663 H ILE 93 H ILE 93 0.491 26.913 -0.443 664 HA ILE 93 HA ILE 93 0.324 27.251 -3.287 665 HB ILE 93 HB ILE 93 0.709 24.767 -1.615 666 HG12 ILE 93 HG12 ILE 93 3.050 25.046 -2.772 667 HG13 ILE 93 HG13 ILE 93 2.548 26.724 -2.944 668 HG21 ILE 93 HG21 ILE 93 -0.027 23.796 -3.533 669 HG22 ILE 93 HG22 ILE 93 0.428 25.172 -4.536 670 HG23 ILE 93 HG23 ILE 93 1.660 24.036 -3.987 671 HD11 ILE 93 HD11 ILE 93 3.808 25.606 -0.770 672 HD12 ILE 93 HD12 ILE 93 2.975 27.160 -0.810 673 HD13 ILE 93 HD13 ILE 93 2.124 25.717 -0.260 674 H ALA 94 H ALA 94 -1.817 26.220 -0.781 675 HA ALA 94 HA ALA 94 -3.606 24.723 -2.433 676 HB1 ALA 94 HB1 ALA 94 -5.173 25.242 -0.393 677 HB2 ALA 94 HB2 ALA 94 -3.827 24.113 -0.234 678 HB3 ALA 94 HB3 ALA 94 -3.664 25.767 0.356 679 H GLU 95 H GLU 95 -3.680 28.009 -1.068 680 HA GLU 95 HA GLU 95 -6.104 28.680 -2.464 681 HB2 GLU 95 HB2 GLU 95 -4.156 30.485 -1.018 682 HB3 GLU 95 HB3 GLU 95 -5.782 30.915 -1.529 683 HG2 GLU 95 HG2 GLU 95 -5.255 28.658 0.373 684 HG3 GLU 95 HG3 GLU 95 -5.441 30.325 0.916 685 H GLU 96 H GLU 96 -2.763 28.709 -3.185 686 HA GLU 96 HA GLU 96 -2.610 30.853 -4.990 687 HB2 GLU 96 HB2 GLU 96 -0.986 28.534 -4.285 688 HB3 GLU 96 HB3 GLU 96 -0.859 28.954 -5.987 689 HG2 GLU 96 HG2 GLU 96 -0.617 31.130 -3.982 690 HG3 GLU 96 HG3 GLU 96 0.730 30.010 -4.175 691 H LEU 97 H LEU 97 -3.335 27.418 -5.532 692 HA LEU 97 HA LEU 97 -4.316 28.132 -8.216 693 HB2 LEU 97 HB2 LEU 97 -3.426 25.421 -7.251 694 HB3 LEU 97 HB3 LEU 97 -3.871 25.864 -8.897 695 HG LEU 97 HG LEU 97 -1.626 27.379 -7.729 696 HD11 LEU 97 HD11 LEU 97 -1.465 24.429 -8.290 697 HD12 LEU 97 HD12 LEU 97 -1.000 25.285 -6.821 698 HD13 LEU 97 HD13 LEU 97 -0.058 25.493 -8.297 699 HD21 LEU 97 HD21 LEU 97 -0.747 26.619 -10.074 700 HD22 LEU 97 HD22 LEU 97 -1.970 27.883 -9.944 701 HD23 LEU 97 HD23 LEU 97 -2.445 26.235 -10.358 702 H GLU 98 H GLU 98 -5.377 27.517 -5.193 703 HA GLU 98 HA GLU 98 -7.322 26.780 -4.259 704 HB2 GLU 98 HB2 GLU 98 -8.412 27.429 -7.003 705 HB3 GLU 98 HB3 GLU 98 -9.361 27.252 -5.534 706 HG2 GLU 98 HG2 GLU 98 -8.211 29.177 -4.561 707 HG3 GLU 98 HG3 GLU 98 -7.273 29.359 -6.042 708 H LEU 99 H LEU 99 -6.053 24.624 -4.537 709 HA LEU 99 HA LEU 99 -6.772 22.720 -6.437 710 HB2 LEU 99 HB2 LEU 99 -5.437 22.761 -3.864 711 HB3 LEU 99 HB3 LEU 99 -6.373 21.286 -4.094 712 HG LEU 99 HG LEU 99 -5.140 20.968 -6.265 713 HD11 LEU 99 HD11 LEU 99 -3.144 22.189 -6.686 714 HD12 LEU 99 HD12 LEU 99 -3.267 23.043 -5.148 715 HD13 LEU 99 HD13 LEU 99 -4.433 23.366 -6.431 716 HD21 LEU 99 HD21 LEU 99 -3.974 19.538 -5.035 717 HD22 LEU 99 HD22 LEU 99 -4.332 20.477 -3.586 718 HD23 LEU 99 HD23 LEU 99 -2.893 20.841 -4.540 719 HA PRO 100 HA PRO 100 -10.873 21.480 -5.480 720 HB2 PRO 100 HB2 PRO 100 -10.782 18.840 -6.106 721 HB3 PRO 100 HB3 PRO 100 -10.764 20.118 -7.327 722 HG2 PRO 100 HG2 PRO 100 -8.481 18.546 -6.196 723 HG3 PRO 100 HG3 PRO 100 -8.800 19.001 -7.880 724 HD2 PRO 100 HD2 PRO 100 -7.030 20.332 -6.322 725 HD3 PRO 100 HD3 PRO 100 -7.976 21.134 -7.592 726 HA PRO 101 HA PRO 101 -11.024 19.845 -1.392 727 HB2 PRO 101 HB2 PRO 101 -13.580 18.931 -1.339 728 HB3 PRO 101 HB3 PRO 101 -13.174 20.651 -1.296 729 HG2 PRO 101 HG2 PRO 101 -14.048 18.968 -3.612 730 HG3 PRO 101 HG3 PRO 101 -14.556 20.607 -3.165 731 HD2 PRO 101 HD2 PRO 101 -12.732 20.126 -5.107 732 HD3 PRO 101 HD3 PRO 101 -12.677 21.575 -4.084 733 H VAL 102 H VAL 102 -11.240 17.899 -4.153 734 HA VAL 102 HA VAL 102 -11.946 15.395 -3.198 735 HB VAL 102 HB VAL 102 -9.944 16.157 -5.321 736 HG11 VAL 102 HG11 VAL 102 -10.796 13.476 -4.327 737 HG12 VAL 102 HG12 VAL 102 -10.457 13.695 -6.045 738 HG13 VAL 102 HG13 VAL 102 -9.205 14.030 -4.848 739 HG21 VAL 102 HG21 VAL 102 -12.024 14.961 -6.574 740 HG22 VAL 102 HG22 VAL 102 -12.851 15.724 -5.216 741 HG23 VAL 102 HG23 VAL 102 -11.886 16.701 -6.322 742 H LYS 103 H LYS 103 -8.602 16.576 -3.607 743 HA LYS 103 HA LYS 103 -7.851 15.176 -1.150 744 HB2 LYS 103 HB2 LYS 103 -7.430 13.723 -3.204 745 HB3 LYS 103 HB3 LYS 103 -6.206 14.900 -3.662 746 HG2 LYS 103 HG2 LYS 103 -4.772 13.710 -2.461 747 HG3 LYS 103 HG3 LYS 103 -5.610 14.302 -1.025 748 HD2 LYS 103 HD2 LYS 103 -7.196 12.210 -1.905 749 HD3 LYS 103 HD3 LYS 103 -5.549 11.636 -2.180 750 HE2 LYS 103 HE2 LYS 103 -5.129 12.514 0.232 751 HE3 LYS 103 HE3 LYS 103 -6.883 12.424 0.380 752 HZ1 LYS 103 HZ1 LYS 103 -6.462 10.322 0.981 753 HZ2 LYS 103 HZ2 LYS 103 -4.929 10.295 0.266 754 HZ3 LYS 103 HZ3 LYS 103 -6.308 10.033 -0.679 755 H ILE 104 H ILE 104 -7.909 17.502 -0.531 756 HA ILE 104 HA ILE 104 -6.298 19.497 -1.526 757 HB ILE 104 HB ILE 104 -6.903 18.959 1.385 758 HG12 ILE 104 HG12 ILE 104 -8.902 19.150 -0.075 759 HG13 ILE 104 HG13 ILE 104 -8.782 20.469 1.085 760 HG21 ILE 104 HG21 ILE 104 -5.781 21.346 -0.044 761 HG22 ILE 104 HG22 ILE 104 -6.627 21.502 1.494 762 HG23 ILE 104 HG23 ILE 104 -5.165 20.523 1.388 763 HD11 ILE 104 HD11 ILE 104 -7.902 20.657 -1.784 764 HD12 ILE 104 HD12 ILE 104 -9.479 21.171 -1.183 765 HD13 ILE 104 HD13 ILE 104 -8.014 21.968 -0.610 766 H HIS 105 H HIS 105 -5.380 16.671 0.261 767 HA HIS 105 HA HIS 105 -2.939 17.410 1.336 768 HB2 HIS 105 HB2 HIS 105 -4.197 15.165 1.499 769 HB3 HIS 105 HB3 HIS 105 -3.352 14.736 0.014 770 HD1 HIS 105 HD1 HIS 105 -1.749 16.667 2.824 771 HD2 HIS 105 HD2 HIS 105 -1.667 12.868 1.145 772 HE1 HIS 105 HE1 HIS 105 0.191 15.494 3.912 773 H CYS 106 H CYS 106 -3.830 16.970 -1.971 774 HA CYS 106 HA CYS 106 -1.341 16.428 -3.124 775 HB2 CYS 106 HB2 CYS 106 -3.937 17.477 -4.049 776 HB3 CYS 106 HB3 CYS 106 -2.556 17.947 -5.032 777 HG CYS 106 HG CYS 106 -1.885 14.946 -4.823 778 H SER 107 H SER 107 -2.522 19.262 -1.620 779 HA SER 107 HA SER 107 -0.657 21.039 -2.960 780 HB2 SER 107 HB2 SER 107 -2.772 22.019 -2.424 781 HB3 SER 107 HB3 SER 107 -2.679 21.462 -0.753 782 HG SER 107 HG SER 107 -1.726 23.273 -0.332 783 H ILE 108 H ILE 108 -0.957 19.296 0.052 784 HA ILE 108 HA ILE 108 1.097 20.654 1.462 785 HB ILE 108 HB ILE 108 -0.202 17.967 1.822 786 HG12 ILE 108 HG12 ILE 108 -0.633 19.297 4.104 787 HG13 ILE 108 HG13 ILE 108 -0.402 20.677 3.035 788 HG21 ILE 108 HG21 ILE 108 1.920 17.465 2.621 789 HG22 ILE 108 HG22 ILE 108 2.182 19.096 3.237 790 HG23 ILE 108 HG23 ILE 108 1.070 18.007 4.067 791 HD11 ILE 108 HD11 ILE 108 -2.704 20.296 3.060 792 HD12 ILE 108 HD12 ILE 108 -2.150 19.597 1.538 793 HD13 ILE 108 HD13 ILE 108 -2.506 18.550 2.911 794 H LEU 109 H LEU 109 1.070 18.026 -0.833 795 HA LEU 109 HA LEU 109 3.717 17.107 -0.294 796 HB2 LEU 109 HB2 LEU 109 1.832 16.729 -2.604 797 HB3 LEU 109 HB3 LEU 109 3.450 16.031 -2.581 798 HG LEU 109 HG LEU 109 1.982 15.360 -0.180 799 HD11 LEU 109 HD11 LEU 109 0.571 15.160 -2.748 800 HD12 LEU 109 HD12 LEU 109 -0.056 15.155 -1.099 801 HD13 LEU 109 HD13 LEU 109 0.610 13.677 -1.794 802 HD21 LEU 109 HD21 LEU 109 2.594 13.072 -0.934 803 HD22 LEU 109 HD22 LEU 109 3.961 14.183 -0.852 804 HD23 LEU 109 HD23 LEU 109 3.245 13.778 -2.413 805 H ALA 110 H ALA 110 2.352 19.647 -2.211 806 HA ALA 110 HA ALA 110 4.491 20.030 -4.019 807 HB1 ALA 110 HB1 ALA 110 3.165 22.501 -3.385 808 HB2 ALA 110 HB2 ALA 110 3.113 21.549 -4.870 809 HB3 ALA 110 HB3 ALA 110 1.990 21.196 -3.556 810 H GLU 111 H GLU 111 3.749 21.469 -0.860 811 HA GLU 111 HA GLU 111 6.160 23.058 -0.880 812 HB2 GLU 111 HB2 GLU 111 5.455 23.807 1.324 813 HB3 GLU 111 HB3 GLU 111 4.107 23.886 0.199 814 HG2 GLU 111 HG2 GLU 111 2.882 22.576 1.488 815 HG3 GLU 111 HG3 GLU 111 4.134 21.335 1.498 816 H ASP 112 H ASP 112 5.197 19.928 0.177 817 HA ASP 112 HA ASP 112 7.336 19.614 2.090 818 HB2 ASP 112 HB2 ASP 112 5.205 17.813 0.983 819 HB3 ASP 112 HB3 ASP 112 6.552 17.136 1.895 820 H ALA 113 H ALA 113 6.794 18.982 -1.286 821 HA ALA 113 HA ALA 113 8.956 17.154 -1.640 822 HB1 ALA 113 HB1 ALA 113 7.545 18.866 -3.684 823 HB2 ALA 113 HB2 ALA 113 8.594 17.489 -4.024 824 HB3 ALA 113 HB3 ALA 113 7.061 17.244 -3.188 825 H ILE 114 H ILE 114 8.560 20.640 -2.165 826 HA ILE 114 HA ILE 114 11.093 21.134 -3.264 827 HB ILE 114 HB ILE 114 10.759 23.482 -2.523 828 HG12 ILE 114 HG12 ILE 114 8.288 22.322 -1.221 829 HG13 ILE 114 HG13 ILE 114 9.639 23.102 -0.406 830 HG21 ILE 114 HG21 ILE 114 8.113 22.860 -3.600 831 HG22 ILE 114 HG22 ILE 114 9.413 23.839 -4.277 832 HG23 ILE 114 HG23 ILE 114 9.441 22.085 -4.462 833 HD11 ILE 114 HD11 ILE 114 8.984 25.133 -1.910 834 HD12 ILE 114 HD12 ILE 114 7.429 24.303 -1.991 835 HD13 ILE 114 HD13 ILE 114 8.092 24.784 -0.429 836 H LYS 115 H LYS 115 9.985 20.993 0.080 837 HA LYS 115 HA LYS 115 12.344 21.982 1.276 838 HB2 LYS 115 HB2 LYS 115 10.121 21.782 2.404 839 HB3 LYS 115 HB3 LYS 115 10.355 20.040 2.464 840 HG2 LYS 115 HG2 LYS 115 12.499 21.731 3.607 841 HG3 LYS 115 HG3 LYS 115 10.973 21.644 4.489 842 HD2 LYS 115 HD2 LYS 115 11.388 19.562 5.188 843 HD3 LYS 115 HD3 LYS 115 11.879 19.036 3.575 844 HE2 LYS 115 HE2 LYS 115 14.100 19.784 3.910 845 HE3 LYS 115 HE3 LYS 115 13.656 20.678 5.364 846 HZ1 LYS 115 HZ1 LYS 115 13.004 18.389 6.268 847 HZ2 LYS 115 HZ2 LYS 115 14.650 18.765 6.173 848 HZ3 LYS 115 HZ3 LYS 115 13.944 17.763 5.008 849 H ALA 116 H ALA 116 11.297 18.734 0.376 850 HA ALA 116 HA ALA 116 13.260 17.224 1.623 851 HB1 ALA 116 HB1 ALA 116 11.467 16.078 0.609 852 HB2 ALA 116 HB2 ALA 116 11.790 16.805 -0.966 853 HB3 ALA 116 HB3 ALA 116 12.905 15.612 -0.300 854 H ALA 117 H ALA 117 13.473 19.270 -1.180 855 HA ALA 117 HA ALA 117 15.978 18.202 -2.106 856 HB1 ALA 117 HB1 ALA 117 15.585 19.414 -3.936 857 HB2 ALA 117 HB2 ALA 117 14.011 19.772 -3.226 858 HB3 ALA 117 HB3 ALA 117 15.353 20.895 -3.006 859 H ILE 118 H ILE 118 14.936 21.001 -0.214 860 HA ILE 118 HA ILE 118 17.444 22.271 -0.041 861 HB ILE 118 HB ILE 118 15.141 22.357 1.912 862 HG12 ILE 118 HG12 ILE 118 15.885 24.255 -0.324 863 HG13 ILE 118 HG13 ILE 118 14.587 23.069 -0.402 864 HG21 ILE 118 HG21 ILE 118 16.531 23.489 3.229 865 HG22 ILE 118 HG22 ILE 118 17.784 23.520 1.990 866 HG23 ILE 118 HG23 ILE 118 16.531 24.761 2.008 867 HD11 ILE 118 HD11 ILE 118 14.672 25.690 0.890 868 HD12 ILE 118 HD12 ILE 118 13.305 24.773 0.258 869 HD13 ILE 118 HD13 ILE 118 13.942 24.413 1.862 870 H ALA 119 H ALA 119 15.948 19.717 1.851 871 HA ALA 119 HA ALA 119 17.961 19.729 3.898 872 HB1 ALA 119 HB1 ALA 119 16.280 18.695 4.923 873 HB2 ALA 119 HB2 ALA 119 15.461 18.366 3.396 874 HB3 ALA 119 HB3 ALA 119 16.697 17.258 3.990 875 H ASP 120 H ASP 120 17.647 18.349 0.770 876 HA ASP 120 HA ASP 120 19.532 16.208 1.210 877 HB2 ASP 120 HB2 ASP 120 17.713 17.024 -0.891 878 HB3 ASP 120 HB3 ASP 120 19.301 16.634 -1.548 879 H TYR 121 H TYR 121 19.581 19.487 -0.001 880 HA TYR 121 HA TYR 121 22.130 19.394 -1.229 881 HB2 TYR 121 HB2 TYR 121 20.709 21.193 -1.837 882 HB3 TYR 121 HB3 TYR 121 20.447 21.656 -0.159 883 HD1 TYR 121 HD1 TYR 121 23.655 20.909 -1.893 884 HD2 TYR 121 HD2 TYR 121 21.203 23.863 -0.058 885 HE1 TYR 121 HE1 TYR 121 25.496 22.531 -2.058 886 HE2 TYR 121 HE2 TYR 121 23.037 25.494 -0.220 887 HH TYR 121 HH TYR 121 25.653 25.133 -2.161 888 H LYS 122 H LYS 122 21.084 20.557 1.969 889 HA LYS 122 HA LYS 122 23.591 21.304 2.936 890 HB2 LYS 122 HB2 LYS 122 21.387 20.123 4.623 891 HB3 LYS 122 HB3 LYS 122 22.618 21.276 5.119 892 HG2 LYS 122 HG2 LYS 122 21.407 22.628 3.099 893 HG3 LYS 122 HG3 LYS 122 20.056 21.713 3.772 894 HD2 LYS 122 HD2 LYS 122 21.565 22.761 5.935 895 HD3 LYS 122 HD3 LYS 122 21.289 24.069 4.784 896 HE2 LYS 122 HE2 LYS 122 18.985 23.930 4.984 897 HE3 LYS 122 HE3 LYS 122 19.036 22.270 5.576 898 HZ1 LYS 122 HZ1 LYS 122 19.973 23.087 7.655 899 HZ2 LYS 122 HZ2 LYS 122 18.473 23.804 7.344 900 HZ3 LYS 122 HZ3 LYS 122 19.898 24.678 7.086 901 H SER 123 H SER 123 22.205 18.176 2.478 902 HA SER 123 HA SER 123 24.004 16.814 4.271 903 HB2 SER 123 HB2 SER 123 22.105 15.775 2.156 904 HB3 SER 123 HB3 SER 123 23.035 14.749 3.248 905 HG SER 123 HG SER 123 20.980 16.585 3.885 906 H LYS 124 H LYS 124 24.102 17.947 1.050 907 HA LYS 124 HA LYS 124 26.035 16.061 0.070 908 HB2 LYS 124 HB2 LYS 124 25.120 18.738 -0.994 909 HB3 LYS 124 HB3 LYS 124 26.229 17.666 -1.838 910 HG2 LYS 124 HG2 LYS 124 23.579 16.615 -0.977 911 HG3 LYS 124 HG3 LYS 124 23.677 17.662 -2.394 912 HD2 LYS 124 HD2 LYS 124 25.629 15.441 -2.228 913 HD3 LYS 124 HD3 LYS 124 23.946 15.005 -2.529 914 HE2 LYS 124 HE2 LYS 124 23.974 16.734 -4.379 915 HE3 LYS 124 HE3 LYS 124 25.723 16.802 -4.164 916 HZ1 LYS 124 HZ1 LYS 124 25.358 14.180 -4.387 917 HZ2 LYS 124 HZ2 LYS 124 25.670 15.187 -5.709 918 HZ3 LYS 124 HZ3 LYS 124 24.082 14.724 -5.356 919 H ARG 125 H ARG 125 26.116 19.058 1.803 920 HA ARG 125 HA ARG 125 29.023 19.253 1.412 921 HB2 ARG 125 HB2 ARG 125 28.839 21.542 2.223 922 HB3 ARG 125 HB3 ARG 125 27.730 21.279 0.883 923 HG2 ARG 125 HG2 ARG 125 26.079 22.044 2.136 924 HG3 ARG 125 HG3 ARG 125 26.308 20.687 3.240 925 HD2 ARG 125 HD2 ARG 125 28.235 22.159 4.199 926 HD3 ARG 125 HD3 ARG 125 27.367 23.476 3.412 927 HE ARG 125 HE ARG 125 25.477 22.117 4.875 928 HH11 ARG 125 HH11 ARG 125 28.469 23.768 5.541 929 HH12 ARG 125 HH12 ARG 125 28.002 24.243 7.141 930 HH21 ARG 125 HH21 ARG 125 24.850 22.737 6.979 931 HH22 ARG 125 HH22 ARG 125 25.944 23.655 7.957 932 H GLU 126 H GLU 126 26.752 18.095 3.558 933 HA GLU 126 HA GLU 126 28.113 18.764 6.007 934 HB2 GLU 126 HB2 GLU 126 25.619 17.489 5.240 935 HB3 GLU 126 HB3 GLU 126 26.426 16.607 6.529 936 HG2 GLU 126 HG2 GLU 126 26.226 19.545 6.816 937 HG3 GLU 126 HG3 GLU 126 24.744 18.607 6.991 938 H ALA 127 H ALA 127 28.215 16.215 3.665 939 HA ALA 127 HA ALA 127 30.233 14.835 5.308 940 HB1 ALA 127 HB1 ALA 127 28.802 13.121 5.419 941 HB2 ALA 127 HB2 ALA 127 27.784 13.767 4.131 942 HB3 ALA 127 HB3 ALA 127 29.228 12.836 3.731 943 H LYS 128 H LYS 128 32.039 15.571 4.299 944 HA LYS 128 HA LYS 128 32.751 14.433 1.800 945 HB2 LYS 128 HB2 LYS 128 31.417 16.173 0.824 946 HB3 LYS 128 HB3 LYS 128 32.146 17.391 1.862 947 HG2 LYS 128 HG2 LYS 128 34.280 17.101 0.734 948 HG3 LYS 128 HG3 LYS 128 33.579 15.843 -0.287 949 HD2 LYS 128 HD2 LYS 128 32.069 18.347 -0.296 950 HD3 LYS 128 HD3 LYS 128 33.716 18.508 -0.913 951 HE2 LYS 128 HE2 LYS 128 33.169 16.425 -2.317 952 HE3 LYS 128 HE3 LYS 128 31.486 16.770 -1.921 953 HZ1 LYS 128 HZ1 LYS 128 33.163 18.924 -3.002 954 HZ2 LYS 128 HZ2 LYS 128 31.494 18.686 -3.146 955 HZ3 LYS 128 HZ3 LYS 128 32.565 17.748 -4.061 Start of MODEL 2 1 H1 MET 1 H MET 1 -26.465 22.441 -6.700 2 HA MET 1 HA MET 1 -25.860 23.734 -8.533 3 HB2 MET 1 HB2 MET 1 -24.492 25.516 -6.509 4 HB3 MET 1 HB3 MET 1 -24.599 25.834 -8.236 5 HG2 MET 1 HG2 MET 1 -27.175 25.353 -6.936 6 HG3 MET 1 HG3 MET 1 -26.317 26.779 -6.357 7 HE1 MET 1 HE1 MET 1 -28.902 25.772 -8.014 8 HE2 MET 1 HE2 MET 1 -29.261 27.482 -8.256 9 HE3 MET 1 HE3 MET 1 -29.037 26.422 -9.649 10 H ALA 2 H ALA 2 -24.359 22.905 -9.827 11 HA ALA 2 HA ALA 2 -21.758 22.165 -8.653 12 HB1 ALA 2 HB1 ALA 2 -22.796 20.140 -9.183 13 HB2 ALA 2 HB2 ALA 2 -23.454 20.768 -10.695 14 HB3 ALA 2 HB3 ALA 2 -21.725 20.447 -10.551 15 H TYR 3 H TYR 3 -21.154 24.405 -9.239 16 HA TYR 3 HA TYR 3 -20.701 24.790 -12.111 17 HB2 TYR 3 HB2 TYR 3 -21.241 26.569 -9.868 18 HB3 TYR 3 HB3 TYR 3 -19.853 27.094 -10.814 19 HD1 TYR 3 HD2 TYR 3 -20.148 27.468 -13.293 20 HD2 TYR 3 HD1 TYR 3 -23.441 26.870 -10.665 21 HE1 TYR 3 HE2 TYR 3 -21.658 28.443 -14.972 22 HE2 TYR 3 HE1 TYR 3 -24.960 27.842 -12.338 23 HH TYR 3 HH TYR 3 -23.812 29.483 -15.128 24 H SER 4 H SER 4 -18.834 23.952 -12.778 25 HA SER 4 HA SER 4 -16.567 23.650 -11.049 26 HB2 SER 4 HB2 SER 4 -16.954 23.178 -14.010 27 HB3 SER 4 HB3 SER 4 -15.437 22.859 -13.170 28 HG SER 4 HG SER 4 -17.959 21.646 -12.718 29 H GLU 5 H GLU 5 -14.967 25.042 -10.703 30 HA GLU 5 HA GLU 5 -14.866 27.481 -12.321 31 HB2 GLU 5 HB2 GLU 5 -14.807 27.125 -9.603 32 HB3 GLU 5 HB3 GLU 5 -13.100 27.306 -9.982 33 HG2 GLU 5 HG2 GLU 5 -14.767 29.279 -11.315 34 HG3 GLU 5 HG3 GLU 5 -14.894 29.340 -9.558 35 H LYS 6 H LYS 6 -13.352 27.735 -13.812 36 HA LYS 6 HA LYS 6 -11.127 25.862 -13.936 37 HB2 LYS 6 HB2 LYS 6 -12.717 27.173 -15.851 38 HB3 LYS 6 HB3 LYS 6 -11.106 27.861 -16.017 39 HG2 LYS 6 HG2 LYS 6 -10.207 25.930 -16.781 40 HG3 LYS 6 HG3 LYS 6 -11.285 24.916 -15.818 41 HD2 LYS 6 HD2 LYS 6 -12.056 24.527 -17.960 42 HD3 LYS 6 HD3 LYS 6 -13.126 25.824 -17.422 43 HE2 LYS 6 HE2 LYS 6 -12.495 27.009 -19.191 44 HE3 LYS 6 HE3 LYS 6 -10.868 27.081 -18.515 45 HZ1 LYS 6 HZ1 LYS 6 -10.115 25.511 -19.924 46 HZ2 LYS 6 HZ2 LYS 6 -11.407 26.031 -20.884 47 HZ3 LYS 6 HZ3 LYS 6 -11.566 24.640 -19.934 48 H VAL 7 H VAL 7 -8.944 26.507 -14.108 49 HA VAL 7 HA VAL 7 -8.392 29.152 -12.929 50 HB VAL 7 HB VAL 7 -6.247 28.141 -12.127 51 HG11 VAL 7 HG11 VAL 7 -8.839 27.933 -11.071 52 HG12 VAL 7 HG12 VAL 7 -8.050 26.387 -10.749 53 HG13 VAL 7 HG13 VAL 7 -7.310 27.889 -10.194 54 HG21 VAL 7 HG21 VAL 7 -5.750 25.909 -12.328 55 HG22 VAL 7 HG22 VAL 7 -7.438 25.437 -12.524 56 HG23 VAL 7 HG23 VAL 7 -6.573 26.194 -13.861 57 H ILE 8 H ILE 8 -8.712 28.621 -15.759 58 HA ILE 8 HA ILE 8 -7.703 29.009 -17.766 59 HB ILE 8 HB ILE 8 -5.730 30.608 -16.135 60 HG12 ILE 8 HG12 ILE 8 -7.668 32.311 -17.235 61 HG13 ILE 8 HG13 ILE 8 -8.573 30.969 -16.542 62 HG21 ILE 8 HG21 ILE 8 -4.948 30.422 -18.352 63 HG22 ILE 8 HG22 ILE 8 -6.561 30.658 -19.022 64 HG23 ILE 8 HG23 ILE 8 -5.722 32.003 -18.249 65 HD11 ILE 8 HD11 ILE 8 -7.346 33.185 -15.235 66 HD12 ILE 8 HD12 ILE 8 -8.374 31.919 -14.561 67 HD13 ILE 8 HD13 ILE 8 -6.629 31.685 -14.647 68 H ASP 9 H ASP 9 -7.086 26.655 -17.590 69 HA ASP 9 HA ASP 9 -4.197 26.259 -17.290 70 HB2 ASP 9 HB2 ASP 9 -4.630 23.940 -17.065 71 HB3 ASP 9 HB3 ASP 9 -5.888 24.746 -16.131 72 H HIS 10 H HIS 10 -2.896 25.633 -18.948 73 HA HIS 10 HA HIS 10 -3.831 24.631 -21.429 74 HB2 HIS 10 HB2 HIS 10 -4.107 27.391 -21.190 75 HB3 HIS 10 HB3 HIS 10 -2.611 27.186 -22.098 76 HD1 HIS 10 HD1 HIS 10 -5.515 28.217 -23.129 77 HD2 HIS 10 HD2 HIS 10 -3.699 24.556 -23.873 78 HE1 HIS 10 HE1 HIS 10 -6.568 27.363 -25.247 79 H TYR 11 H TYR 11 -2.193 23.707 -22.552 80 HA TYR 11 HA TYR 11 0.558 24.370 -21.740 81 HB2 TYR 11 HB2 TYR 11 1.065 21.906 -22.049 82 HB3 TYR 11 HB3 TYR 11 0.092 22.313 -20.640 83 HD1 TYR 11 HD2 TYR 11 -0.009 20.865 -24.034 84 HD2 TYR 11 HD1 TYR 11 -2.136 21.501 -20.404 85 HE1 TYR 11 HE2 TYR 11 -1.729 19.268 -24.769 86 HE2 TYR 11 HE1 TYR 11 -3.861 19.905 -21.128 87 HH TYR 11 HH TYR 11 -3.628 18.244 -24.263 88 H GLU 12 H GLU 12 2.195 23.508 -23.332 89 HA GLU 12 HA GLU 12 1.149 23.490 -26.077 90 HB2 GLU 12 HB2 GLU 12 2.085 25.761 -25.285 91 HB3 GLU 12 HB3 GLU 12 3.660 24.984 -25.364 92 HG2 GLU 12 HG2 GLU 12 3.473 26.039 -27.414 93 HG3 GLU 12 HG3 GLU 12 3.017 24.374 -27.770 94 H ASN 13 H ASN 13 1.870 21.228 -24.642 95 HA ASN 13 HA ASN 13 3.182 19.368 -24.701 96 HB2 ASN 13 HB2 ASN 13 3.951 20.469 -27.414 97 HB3 ASN 13 HB3 ASN 13 4.149 18.802 -26.880 98 HD21 ASN 13 HD21 ASN 13 2.568 20.115 -29.066 99 HD22 ASN 13 HD22 ASN 13 0.966 19.498 -28.869 100 HA PRO 14 HA PRO 14 6.950 21.806 -23.478 101 HB2 PRO 14 HB2 PRO 14 7.039 20.845 -20.940 102 HB3 PRO 14 HB3 PRO 14 6.084 22.260 -21.398 103 HG2 PRO 14 HG2 PRO 14 5.202 19.427 -21.002 104 HG3 PRO 14 HG3 PRO 14 4.417 20.927 -20.476 105 HD2 PRO 14 HD2 PRO 14 3.618 19.559 -22.671 106 HD3 PRO 14 HD3 PRO 14 3.502 21.326 -22.553 107 H ARG 15 H ARG 15 5.996 18.516 -23.615 108 HA ARG 15 HA ARG 15 7.144 16.580 -23.945 109 HB2 ARG 15 HB2 ARG 15 8.889 18.672 -24.956 110 HB3 ARG 15 HB3 ARG 15 9.805 17.300 -24.347 111 HG2 ARG 15 HG2 ARG 15 7.583 16.419 -25.957 112 HG3 ARG 15 HG3 ARG 15 8.607 17.552 -26.842 113 HD2 ARG 15 HD2 ARG 15 9.659 15.159 -25.345 114 HD3 ARG 15 HD3 ARG 15 9.251 15.136 -27.060 115 HE ARG 15 HE ARG 15 11.598 16.242 -25.869 116 HH11 ARG 15 HH11 ARG 15 9.383 16.556 -28.536 117 HH12 ARG 15 HH12 ARG 15 10.542 17.310 -29.580 118 HH21 ARG 15 HH21 ARG 15 13.133 17.234 -27.233 119 HH22 ARG 15 HH22 ARG 15 12.675 17.695 -28.838 120 H ASN 16 H ASN 16 9.325 15.429 -23.185 121 HA ASN 16 HA ASN 16 9.234 15.487 -20.333 122 HB2 ASN 16 HB2 ASN 16 10.611 13.865 -22.408 123 HB3 ASN 16 HB3 ASN 16 11.341 13.891 -20.805 124 HD21 ASN 16 HD21 ASN 16 9.932 11.777 -22.360 125 HD22 ASN 16 HD22 ASN 16 8.697 11.197 -21.301 126 H VAL 17 H VAL 17 9.876 17.725 -20.012 127 HA VAL 17 HA VAL 17 12.777 18.156 -20.289 128 HB VAL 17 HB VAL 17 10.578 20.203 -19.966 129 HG11 VAL 17 HG11 VAL 17 13.563 20.420 -20.020 130 HG12 VAL 17 HG12 VAL 17 12.556 21.751 -20.592 131 HG13 VAL 17 HG13 VAL 17 12.408 21.183 -18.928 132 HG21 VAL 17 HG21 VAL 17 12.374 19.854 -22.346 133 HG22 VAL 17 HG22 VAL 17 10.851 18.978 -22.200 134 HG23 VAL 17 HG23 VAL 17 10.854 20.741 -22.229 135 H GLY 18 H GLY 18 13.896 17.887 -18.479 136 HA2 GLY 18 HA2 GLY 18 13.753 19.213 -16.150 137 HA3 GLY 18 HA3 GLY 18 12.562 17.945 -15.902 138 H SER 19 H SER 19 15.955 18.654 -16.357 139 HA SER 19 HA SER 19 16.838 16.598 -14.686 140 HB2 SER 19 HB2 SER 19 16.139 15.630 -17.237 141 HB3 SER 19 HB3 SER 19 17.902 15.687 -17.209 142 HG SER 19 HG SER 19 16.471 13.810 -16.219 143 H PHE 20 H PHE 20 19.137 16.524 -14.486 144 HA PHE 20 HA PHE 20 20.568 18.624 -15.966 145 HB2 PHE 20 HB2 PHE 20 20.060 18.448 -13.094 146 HB3 PHE 20 HB3 PHE 20 21.771 18.609 -13.475 147 HD1 PHE 20 HD2 PHE 20 22.071 20.404 -15.560 148 HD2 PHE 20 HD1 PHE 20 19.056 20.425 -12.556 149 HE1 PHE 20 HE2 PHE 20 21.771 22.824 -15.883 150 HE2 PHE 20 HE1 PHE 20 18.750 22.845 -12.876 151 HZ PHE 20 HZ PHE 20 20.109 24.048 -14.540 152 H ASP 21 H ASP 21 20.399 15.558 -15.909 153 HA ASP 21 HA ASP 21 21.812 13.820 -16.307 154 HB2 ASP 21 HB2 ASP 21 23.043 16.007 -17.433 155 HB3 ASP 21 HB3 ASP 21 24.300 15.371 -16.375 156 H ASN 22 H ASN 22 21.526 15.213 -13.565 157 HA ASN 22 HA ASN 22 22.307 14.965 -11.438 158 HB2 ASN 22 HB2 ASN 22 22.009 12.478 -12.537 159 HB3 ASN 22 HB3 ASN 22 23.679 12.418 -11.981 160 HD21 ASN 22 HD21 ASN 22 20.835 11.421 -11.110 161 HD22 ASN 22 HD22 ASN 22 20.885 11.639 -9.397 162 H ASN 23 H ASN 23 24.506 13.852 -10.293 163 HA ASN 23 HA ASN 23 26.643 14.403 -9.725 164 HB2 ASN 23 HB2 ASN 23 26.909 14.085 -12.717 165 HB3 ASN 23 HB3 ASN 23 28.290 14.302 -11.646 166 HD21 ASN 23 HD21 ASN 23 29.164 12.310 -12.088 167 HD22 ASN 23 HD22 ASN 23 28.453 10.832 -11.545 168 H ASP 24 H ASP 24 25.616 16.562 -9.198 169 HA ASP 24 HA ASP 24 26.832 18.683 -10.844 170 HB2 ASP 24 HB2 ASP 24 24.149 18.365 -10.000 171 HB3 ASP 24 HB3 ASP 24 24.815 19.711 -9.080 172 H GLU 25 H GLU 25 26.744 17.164 -7.796 173 HA GLU 25 HA GLU 25 27.852 17.522 -5.842 174 HB2 GLU 25 HB2 GLU 25 29.466 19.594 -7.326 175 HB3 GLU 25 HB3 GLU 25 29.945 18.672 -5.909 176 HG2 GLU 25 HG2 GLU 25 29.485 16.652 -7.596 177 HG3 GLU 25 HG3 GLU 25 29.924 17.903 -8.757 178 H ASN 26 H ASN 26 25.604 19.348 -6.840 179 HA ASN 26 HA ASN 26 25.413 20.939 -4.512 180 HB2 ASN 26 HB2 ASN 26 25.330 23.150 -5.938 181 HB3 ASN 26 HB3 ASN 26 26.865 22.544 -5.323 182 HD21 ASN 26 HD21 ASN 26 24.769 21.937 -8.127 183 HD22 ASN 26 HD22 ASN 26 26.034 22.020 -9.301 184 H VAL 27 H VAL 27 23.874 19.060 -6.119 185 HA VAL 27 HA VAL 27 21.569 20.747 -6.844 186 HB VAL 27 HB VAL 27 22.461 19.351 -8.687 187 HG11 VAL 27 HG11 VAL 27 22.834 17.435 -6.791 188 HG12 VAL 27 HG12 VAL 27 21.374 16.856 -7.596 189 HG13 VAL 27 HG13 VAL 27 22.843 17.145 -8.530 190 HG21 VAL 27 HG21 VAL 27 20.085 20.005 -8.587 191 HG22 VAL 27 HG22 VAL 27 20.326 18.463 -9.408 192 HG23 VAL 27 HG23 VAL 27 19.724 18.494 -7.751 193 H GLY 28 H GLY 28 19.684 20.505 -5.783 194 HA2 GLY 28 HA2 GLY 28 19.619 18.490 -3.636 195 HA3 GLY 28 HA3 GLY 28 18.706 19.993 -3.648 196 H SER 29 H SER 29 18.214 16.864 -3.669 197 HA SER 29 HA SER 29 16.063 16.944 -5.680 198 HB2 SER 29 HB2 SER 29 17.996 14.881 -4.924 199 HB3 SER 29 HB3 SER 29 16.335 14.290 -4.958 200 HG SER 29 HG SER 29 16.328 14.461 -7.055 201 H GLY 30 H GLY 30 14.003 16.764 -5.034 202 HA2 GLY 30 HA2 GLY 30 13.499 15.890 -2.260 203 HA3 GLY 30 HA3 GLY 30 12.741 17.336 -2.910 204 H MET 31 H MET 31 12.274 14.133 -2.277 205 HA MET 31 HA MET 31 10.129 13.952 -4.289 206 HB2 MET 31 HB2 MET 31 11.896 12.330 -4.767 207 HB3 MET 31 HB3 MET 31 11.778 11.698 -3.131 208 HG2 MET 31 HG2 MET 31 9.215 11.667 -4.454 209 HG3 MET 31 HG3 MET 31 10.433 10.795 -5.382 210 HE1 MET 31 HE1 MET 31 8.205 9.539 -1.741 211 HE2 MET 31 HE2 MET 31 8.056 10.995 -2.725 212 HE3 MET 31 HE3 MET 31 7.649 9.422 -3.411 213 H VAL 32 H VAL 32 8.144 13.863 -3.476 214 HA VAL 32 HA VAL 32 7.684 12.598 -0.884 215 HB VAL 32 HB VAL 32 6.581 15.344 -1.469 216 HG11 VAL 32 HG11 VAL 32 6.471 13.468 0.865 217 HG12 VAL 32 HG12 VAL 32 6.258 15.206 1.086 218 HG13 VAL 32 HG13 VAL 32 5.153 14.305 0.046 219 HG21 VAL 32 HG21 VAL 32 9.037 15.416 -1.220 220 HG22 VAL 32 HG22 VAL 32 8.197 16.240 0.093 221 HG23 VAL 32 HG23 VAL 32 8.879 14.635 0.353 222 H GLY 33 H GLY 33 5.444 12.080 -0.488 223 HA2 GLY 33 HA2 GLY 33 3.343 12.574 -2.268 224 HA3 GLY 33 HA3 GLY 33 4.122 11.081 -2.770 225 H ALA 34 H ALA 34 2.387 9.762 -2.281 226 HA ALA 34 HA ALA 34 2.142 9.062 0.517 227 HB1 ALA 34 HB1 ALA 34 -0.534 9.140 -0.274 228 HB2 ALA 34 HB2 ALA 34 0.265 10.185 0.901 229 HB3 ALA 34 HB3 ALA 34 0.151 10.683 -0.787 230 HA PRO 35 HA PRO 35 1.779 5.042 -1.230 231 HB2 PRO 35 HB2 PRO 35 0.606 3.746 0.847 232 HB3 PRO 35 HB3 PRO 35 2.302 4.243 0.860 233 HG2 PRO 35 HG2 PRO 35 -0.073 5.574 2.106 234 HG3 PRO 35 HG3 PRO 35 1.548 5.320 2.778 235 HD2 PRO 35 HD2 PRO 35 0.761 7.689 1.728 236 HD3 PRO 35 HD3 PRO 35 2.439 7.115 1.639 237 H ALA 36 H ALA 36 -1.130 6.070 0.566 238 HA ALA 36 HA ALA 36 -2.859 4.460 -1.078 239 HB1 ALA 36 HB1 ALA 36 -4.207 4.657 0.670 240 HB2 ALA 36 HB2 ALA 36 -3.046 5.746 1.431 241 HB3 ALA 36 HB3 ALA 36 -4.327 6.397 0.409 242 H CYS 37 H CYS 37 -1.453 7.518 -1.372 243 HA CYS 37 HA CYS 37 -3.598 8.627 -2.998 244 HB2 CYS 37 HB2 CYS 37 -2.079 9.929 -1.330 245 HB3 CYS 37 HB3 CYS 37 -0.904 9.902 -2.639 246 HG CYS 37 HG CYS 37 -1.875 12.316 -3.091 247 H GLY 38 H GLY 38 -0.339 7.336 -3.349 248 HA2 GLY 38 HA2 GLY 38 0.671 6.420 -5.213 249 HA3 GLY 38 HA3 GLY 38 -0.819 6.698 -6.103 250 H ALA 39 H ALA 39 -0.001 9.560 -4.681 251 HA ALA 39 HA ALA 39 0.942 10.641 -7.197 252 HB1 ALA 39 HB1 ALA 39 -0.754 11.667 -5.459 253 HB2 ALA 39 HB2 ALA 39 0.725 12.319 -4.750 254 HB3 ALA 39 HB3 ALA 39 0.308 12.696 -6.422 255 H VAL 40 H VAL 40 2.931 11.515 -7.602 256 HA VAL 40 HA VAL 40 4.938 11.392 -5.456 257 HB VAL 40 HB VAL 40 5.489 10.503 -8.286 258 HG11 VAL 40 HG11 VAL 40 7.093 10.751 -5.793 259 HG12 VAL 40 HG12 VAL 40 7.460 9.429 -6.903 260 HG13 VAL 40 HG13 VAL 40 7.539 11.100 -7.463 261 HG21 VAL 40 HG21 VAL 40 4.541 8.992 -5.910 262 HG22 VAL 40 HG22 VAL 40 4.190 8.745 -7.621 263 HG23 VAL 40 HG23 VAL 40 5.741 8.231 -6.955 264 H MET 41 H MET 41 5.798 13.334 -5.182 265 HA MET 41 HA MET 41 5.883 15.182 -7.466 266 HB2 MET 41 HB2 MET 41 6.179 15.874 -4.542 267 HB3 MET 41 HB3 MET 41 5.925 16.986 -5.881 268 HG2 MET 41 HG2 MET 41 3.934 14.893 -5.050 269 HG3 MET 41 HG3 MET 41 3.922 16.552 -4.457 270 HE1 MET 41 HE1 MET 41 3.184 18.326 -5.308 271 HE2 MET 41 HE2 MET 41 3.481 18.781 -6.986 272 HE3 MET 41 HE3 MET 41 1.855 18.332 -6.468 273 H LYS 42 H LYS 42 7.790 15.042 -8.470 274 HA LYS 42 HA LYS 42 10.229 14.938 -6.821 275 HB2 LYS 42 HB2 LYS 42 9.925 14.105 -9.710 276 HB3 LYS 42 HB3 LYS 42 11.353 13.902 -8.703 277 HG2 LYS 42 HG2 LYS 42 9.791 12.501 -7.190 278 HG3 LYS 42 HG3 LYS 42 8.757 12.426 -8.618 279 HD2 LYS 42 HD2 LYS 42 10.029 10.551 -8.948 280 HD3 LYS 42 HD3 LYS 42 11.017 11.743 -9.796 281 HE2 LYS 42 HE2 LYS 42 12.705 11.523 -8.347 282 HE3 LYS 42 HE3 LYS 42 11.627 11.584 -6.954 283 HZ1 LYS 42 HZ1 LYS 42 11.185 9.141 -8.167 284 HZ2 LYS 42 HZ2 LYS 42 11.984 9.426 -6.704 285 HZ3 LYS 42 HZ3 LYS 42 12.865 9.336 -8.145 286 H LEU 43 H LEU 43 11.308 16.785 -6.717 287 HA LEU 43 HA LEU 43 11.421 18.501 -9.096 288 HB2 LEU 43 HB2 LEU 43 10.531 19.210 -6.350 289 HB3 LEU 43 HB3 LEU 43 11.467 20.400 -7.253 290 HG LEU 43 HG LEU 43 9.757 20.278 -9.061 291 HD11 LEU 43 HD11 LEU 43 8.775 18.139 -7.359 292 HD12 LEU 43 HD12 LEU 43 8.416 18.501 -9.047 293 HD13 LEU 43 HD13 LEU 43 7.526 19.318 -7.762 294 HD21 LEU 43 HD21 LEU 43 8.436 20.979 -6.462 295 HD22 LEU 43 HD22 LEU 43 8.302 21.779 -8.028 296 HD23 LEU 43 HD23 LEU 43 9.788 21.924 -7.088 297 H GLN 44 H GLN 44 13.297 19.794 -9.274 298 HA GLN 44 HA GLN 44 15.514 18.911 -7.546 299 HB2 GLN 44 HB2 GLN 44 15.278 19.235 -10.473 300 HB3 GLN 44 HB3 GLN 44 16.775 19.827 -9.764 301 HG2 GLN 44 HG2 GLN 44 17.555 17.763 -9.778 302 HG3 GLN 44 HG3 GLN 44 16.307 17.310 -8.618 303 HE21 GLN 44 HE21 GLN 44 14.106 16.938 -9.689 304 HE22 GLN 44 HE22 GLN 44 14.124 15.978 -11.125 305 H ILE 45 H ILE 45 17.300 20.484 -7.325 306 HA ILE 45 HA ILE 45 16.616 23.275 -7.753 307 HB ILE 45 HB ILE 45 17.014 23.898 -5.402 308 HG12 ILE 45 HG12 ILE 45 16.680 20.993 -4.687 309 HG13 ILE 45 HG13 ILE 45 18.275 21.691 -4.949 310 HG21 ILE 45 HG21 ILE 45 14.845 23.275 -4.564 311 HG22 ILE 45 HG22 ILE 45 14.730 23.569 -6.299 312 HG23 ILE 45 HG23 ILE 45 14.761 21.916 -5.685 313 HD11 ILE 45 HD11 ILE 45 16.261 22.568 -2.893 314 HD12 ILE 45 HD12 ILE 45 17.744 21.658 -2.597 315 HD13 ILE 45 HD13 ILE 45 17.830 23.322 -3.173 316 H LYS 46 H LYS 46 18.417 24.731 -7.197 317 HA LYS 46 HA LYS 46 21.026 23.416 -7.001 318 HB2 LYS 46 HB2 LYS 46 19.982 24.465 -9.408 319 HB3 LYS 46 HB3 LYS 46 21.207 25.601 -8.859 320 HG2 LYS 46 HG2 LYS 46 22.014 22.791 -8.707 321 HG3 LYS 46 HG3 LYS 46 21.691 23.377 -10.340 322 HD2 LYS 46 HD2 LYS 46 23.153 25.413 -9.557 323 HD3 LYS 46 HD3 LYS 46 23.765 24.249 -8.379 324 HE2 LYS 46 HE2 LYS 46 25.230 23.793 -10.041 325 HE3 LYS 46 HE3 LYS 46 23.919 22.753 -10.595 326 HZ1 LYS 46 HZ1 LYS 46 25.108 24.702 -12.055 327 HZ2 LYS 46 HZ2 LYS 46 23.690 25.458 -11.528 328 HZ3 LYS 46 HZ3 LYS 46 23.603 24.007 -12.393 329 H VAL 47 H VAL 47 22.099 24.324 -5.387 330 HA VAL 47 HA VAL 47 21.608 27.169 -4.790 331 HB VAL 47 HB VAL 47 22.611 25.086 -2.850 332 HG11 VAL 47 HG11 VAL 47 21.924 27.981 -2.677 333 HG12 VAL 47 HG12 VAL 47 21.648 26.948 -1.273 334 HG13 VAL 47 HG13 VAL 47 23.268 27.096 -1.956 335 HG21 VAL 47 HG21 VAL 47 19.954 25.530 -3.838 336 HG22 VAL 47 HG22 VAL 47 20.528 24.329 -2.681 337 HG23 VAL 47 HG23 VAL 47 20.034 25.927 -2.122 338 H ASN 48 H ASN 48 23.358 28.502 -4.297 339 HA ASN 48 HA ASN 48 25.931 27.522 -5.303 340 HB2 ASN 48 HB2 ASN 48 25.806 30.371 -4.721 341 HB3 ASN 48 HB3 ASN 48 26.211 29.551 -6.226 342 HD21 ASN 48 HD21 ASN 48 24.101 31.620 -4.818 343 HD22 ASN 48 HD22 ASN 48 22.750 31.428 -5.877 344 H ASP 49 H ASP 49 27.687 29.261 -4.180 345 HA ASP 49 HA ASP 49 28.092 28.133 -1.605 346 HB2 ASP 49 HB2 ASP 49 29.527 29.987 -3.392 347 HB3 ASP 49 HB3 ASP 49 29.825 30.239 -1.674 348 H GLU 50 H GLU 50 26.251 30.760 -2.678 349 HA GLU 50 HA GLU 50 26.461 32.313 -0.248 350 HB2 GLU 50 HB2 GLU 50 25.337 32.673 -2.900 351 HB3 GLU 50 HB3 GLU 50 24.214 33.189 -1.651 352 HG2 GLU 50 HG2 GLU 50 27.018 34.170 -2.102 353 HG3 GLU 50 HG3 GLU 50 25.516 35.068 -2.315 354 H GLY 51 H GLY 51 24.583 29.693 -1.419 355 HA2 GLY 51 HA2 GLY 51 23.149 28.363 -0.139 356 HA3 GLY 51 HA3 GLY 51 23.094 29.632 1.076 357 H ILE 52 H ILE 52 22.506 30.325 -2.286 358 HA ILE 52 HA ILE 52 19.642 30.657 -1.671 359 HB ILE 52 HB ILE 52 21.341 32.378 -3.480 360 HG12 ILE 52 HG12 ILE 52 21.763 32.859 -1.137 361 HG13 ILE 52 HG13 ILE 52 20.807 34.161 -1.835 362 HG21 ILE 52 HG21 ILE 52 19.159 32.208 -4.425 363 HG22 ILE 52 HG22 ILE 52 18.397 32.441 -2.853 364 HG23 ILE 52 HG23 ILE 52 19.265 33.772 -3.617 365 HD11 ILE 52 HD11 ILE 52 20.114 32.208 0.255 366 HD12 ILE 52 HD12 ILE 52 19.623 33.891 0.057 367 HD13 ILE 52 HD13 ILE 52 18.835 32.625 -0.884 368 H ILE 53 H ILE 53 18.158 30.053 -3.216 369 HA ILE 53 HA ILE 53 18.993 28.050 -5.068 370 HB ILE 53 HB ILE 53 16.296 29.373 -4.745 371 HG12 ILE 53 HG12 ILE 53 17.122 28.165 -2.737 372 HG13 ILE 53 HG13 ILE 53 15.695 27.414 -3.443 373 HG21 ILE 53 HG21 ILE 53 16.239 28.432 -6.874 374 HG22 ILE 53 HG22 ILE 53 17.231 27.056 -6.397 375 HG23 ILE 53 HG23 ILE 53 15.559 27.168 -5.849 376 HD11 ILE 53 HD11 ILE 53 18.032 26.146 -2.753 377 HD12 ILE 53 HD12 ILE 53 16.769 25.504 -3.804 378 HD13 ILE 53 HD13 ILE 53 18.166 26.323 -4.502 379 H GLU 54 H GLU 54 19.850 28.424 -6.994 380 HA GLU 54 HA GLU 54 19.144 30.907 -8.403 381 HB2 GLU 54 HB2 GLU 54 21.488 30.824 -8.058 382 HB3 GLU 54 HB3 GLU 54 21.574 29.132 -8.527 383 HG2 GLU 54 HG2 GLU 54 21.338 29.621 -10.792 384 HG3 GLU 54 HG3 GLU 54 20.706 31.235 -10.471 385 H ASP 55 H ASP 55 19.067 27.451 -8.576 386 HA ASP 55 HA ASP 55 17.645 27.646 -11.136 387 HB2 ASP 55 HB2 ASP 55 20.168 26.300 -10.652 388 HB3 ASP 55 HB3 ASP 55 18.938 25.168 -11.209 389 H ALA 56 H ALA 56 15.951 26.224 -11.405 390 HA ALA 56 HA ALA 56 15.444 24.254 -9.301 391 HB1 ALA 56 HB1 ALA 56 13.179 26.018 -10.112 392 HB2 ALA 56 HB2 ALA 56 13.413 25.096 -8.627 393 HB3 ALA 56 HB3 ALA 56 14.325 26.581 -8.895 394 H ARG 57 H ARG 57 15.030 22.386 -10.262 395 HA ARG 57 HA ARG 57 13.723 22.416 -12.902 396 HB2 ARG 57 HB2 ARG 57 15.990 20.902 -11.813 397 HB3 ARG 57 HB3 ARG 57 14.813 19.910 -12.664 398 HG2 ARG 57 HG2 ARG 57 16.190 22.341 -13.788 399 HG3 ARG 57 HG3 ARG 57 16.613 20.662 -14.132 400 HD2 ARG 57 HD2 ARG 57 15.237 20.911 -15.889 401 HD3 ARG 57 HD3 ARG 57 13.960 20.661 -14.700 402 HE ARG 57 HE ARG 57 14.765 23.408 -14.986 403 HH11 ARG 57 HH11 ARG 57 12.687 20.886 -16.187 404 HH12 ARG 57 HH12 ARG 57 11.517 21.983 -16.843 405 HH21 ARG 57 HH21 ARG 57 13.233 24.862 -15.846 406 HH22 ARG 57 HH22 ARG 57 11.829 24.244 -16.649 407 H PHE 58 H PHE 58 12.614 20.194 -13.333 408 HA PHE 58 HA PHE 58 11.469 18.832 -11.110 409 HB2 PHE 58 HB2 PHE 58 9.144 19.567 -11.405 410 HB3 PHE 58 HB3 PHE 58 10.180 20.910 -10.934 411 HD1 PHE 58 HD2 PHE 58 10.875 22.580 -12.640 412 HD2 PHE 58 HD1 PHE 58 7.967 19.579 -13.449 413 HE1 PHE 58 HE2 PHE 58 10.095 23.865 -14.588 414 HE2 PHE 58 HE1 PHE 58 7.184 20.858 -15.399 415 HZ PHE 58 HZ PHE 58 8.247 23.005 -15.970 416 H LYS 59 H LYS 59 10.266 17.017 -11.724 417 HA LYS 59 HA LYS 59 10.264 16.460 -14.618 418 HB2 LYS 59 HB2 LYS 59 11.082 14.792 -12.283 419 HB3 LYS 59 HB3 LYS 59 10.350 13.986 -13.664 420 HG2 LYS 59 HG2 LYS 59 12.089 15.164 -15.087 421 HG3 LYS 59 HG3 LYS 59 12.895 15.574 -13.571 422 HD2 LYS 59 HD2 LYS 59 12.189 12.766 -14.414 423 HD3 LYS 59 HD3 LYS 59 13.769 13.511 -14.668 424 HE2 LYS 59 HE2 LYS 59 14.206 13.625 -12.368 425 HE3 LYS 59 HE3 LYS 59 12.513 13.373 -11.945 426 HZ1 LYS 59 HZ1 LYS 59 13.413 11.174 -13.440 427 HZ2 LYS 59 HZ2 LYS 59 12.889 11.209 -11.832 428 HZ3 LYS 59 HZ3 LYS 59 14.523 11.457 -12.194 429 H THR 60 H THR 60 8.638 14.867 -15.320 430 HA THR 60 HA THR 60 6.078 15.476 -14.121 431 HB THR 60 HB THR 60 6.379 15.448 -16.590 432 HG1 THR 60 HG1 THR 60 4.290 15.177 -16.180 433 HG21 THR 60 HG21 THR 60 7.912 13.522 -16.709 434 HG22 THR 60 HG22 THR 60 6.512 13.317 -17.763 435 HG23 THR 60 HG23 THR 60 6.593 12.457 -16.226 436 H TYR 61 H TYR 61 4.711 14.070 -13.102 437 HA TYR 61 HA TYR 61 5.039 11.264 -13.036 438 HB2 TYR 61 HB2 TYR 61 6.668 12.755 -11.192 439 HB3 TYR 61 HB3 TYR 61 5.488 11.800 -10.301 440 HD1 TYR 61 HD2 TYR 61 5.224 9.318 -11.529 441 HD2 TYR 61 HD1 TYR 61 8.720 11.736 -11.361 442 HE1 TYR 61 HE2 TYR 61 6.617 7.313 -11.826 443 HE2 TYR 61 HE1 TYR 61 10.124 9.739 -11.659 444 HH TYR 61 HH TYR 61 8.680 6.537 -12.152 445 H GLY 62 H GLY 62 3.157 10.365 -12.447 446 HA2 GLY 62 HA2 GLY 62 1.422 10.504 -10.561 447 HA3 GLY 62 HA3 GLY 62 1.166 12.129 -11.180 448 H CYS 63 H CYS 63 -1.060 11.427 -11.464 449 HA CYS 63 HA CYS 63 -1.404 9.892 -13.955 450 HB2 CYS 63 HB2 CYS 63 -2.258 8.601 -12.080 451 HB3 CYS 63 HB3 CYS 63 -3.222 9.970 -11.540 452 HG CYS 63 HG CYS 63 -4.262 9.630 -14.498 453 H GLY 64 H GLY 64 -1.648 11.489 -15.429 454 HA2 GLY 64 HA2 GLY 64 -3.800 12.691 -16.232 455 HA3 GLY 64 HA3 GLY 64 -3.503 13.685 -14.813 456 H SER 65 H SER 65 -3.082 15.601 -15.812 457 HA SER 65 HA SER 65 -0.989 15.665 -17.863 458 HB2 SER 65 HB2 SER 65 -3.417 17.009 -17.642 459 HB3 SER 65 HB3 SER 65 -2.213 18.231 -17.231 460 HG SER 65 HG SER 65 -2.738 17.007 -19.638 461 H ALA 66 H ALA 66 0.012 18.172 -17.600 462 HA ALA 66 HA ALA 66 2.047 17.921 -15.754 463 HB1 ALA 66 HB1 ALA 66 2.695 20.086 -16.312 464 HB2 ALA 66 HB2 ALA 66 1.806 19.543 -17.736 465 HB3 ALA 66 HB3 ALA 66 1.034 20.620 -16.572 466 H ILE 67 H ILE 67 2.457 18.742 -13.709 467 HA ILE 67 HA ILE 67 0.084 19.192 -12.084 468 HB ILE 67 HB ILE 67 2.948 18.945 -11.166 469 HG12 ILE 67 HG12 ILE 67 1.666 16.603 -10.485 470 HG13 ILE 67 HG13 ILE 67 1.024 16.937 -12.090 471 HG21 ILE 67 HG21 ILE 67 1.325 20.013 -9.608 472 HG22 ILE 67 HG22 ILE 67 0.386 18.521 -9.639 473 HG23 ILE 67 HG23 ILE 67 2.028 18.516 -8.996 474 HD11 ILE 67 HD11 ILE 67 3.865 17.330 -12.054 475 HD12 ILE 67 HD12 ILE 67 3.450 15.728 -11.444 476 HD13 ILE 67 HD13 ILE 67 2.892 16.237 -13.038 477 H ALA 68 H ALA 68 -0.591 21.158 -11.574 478 HA ALA 68 HA ALA 68 0.921 23.494 -12.209 479 HB1 ALA 68 HB1 ALA 68 -0.994 24.664 -11.834 480 HB2 ALA 68 HB2 ALA 68 -1.692 23.060 -12.067 481 HB3 ALA 68 HB3 ALA 68 -1.449 23.688 -10.437 482 H SER 69 H SER 69 -0.054 21.935 -9.172 483 HA SER 69 HA SER 69 0.976 23.811 -7.394 484 HB2 SER 69 HB2 SER 69 0.600 22.245 -5.738 485 HB3 SER 69 HB3 SER 69 -0.414 21.590 -7.023 486 HG SER 69 HG SER 69 1.276 20.211 -5.822 487 H SER 70 H SER 70 2.592 21.474 -9.366 488 HA SER 70 HA SER 70 5.075 21.614 -7.880 489 HB2 SER 70 HB2 SER 70 4.584 19.501 -8.908 490 HB3 SER 70 HB3 SER 70 4.316 20.262 -10.476 491 HG SER 70 HG SER 70 6.796 20.640 -9.258 492 H SER 71 H SER 71 3.851 22.699 -11.030 493 HA SER 71 HA SER 71 6.237 23.953 -11.869 494 HB2 SER 71 HB2 SER 71 4.446 23.366 -13.440 495 HB3 SER 71 HB3 SER 71 3.376 24.539 -12.673 496 HG SER 71 HG SER 71 4.203 25.921 -14.008 497 H LEU 72 H LEU 72 3.764 24.895 -9.667 498 HA LEU 72 HA LEU 72 4.357 27.717 -9.783 499 HB2 LEU 72 HB2 LEU 72 2.131 27.213 -9.242 500 HB3 LEU 72 HB3 LEU 72 2.606 26.007 -8.049 501 HG LEU 72 HG LEU 72 3.384 28.823 -7.525 502 HD11 LEU 72 HD11 LEU 72 0.852 28.490 -8.347 503 HD12 LEU 72 HD12 LEU 72 1.327 29.647 -7.104 504 HD13 LEU 72 HD13 LEU 72 0.670 28.077 -6.642 505 HD21 LEU 72 HD21 LEU 72 2.758 26.346 -6.018 506 HD22 LEU 72 HD22 LEU 72 2.414 27.888 -5.236 507 HD23 LEU 72 HD23 LEU 72 4.051 27.522 -5.782 508 H VAL 73 H VAL 73 4.822 25.113 -7.399 509 HA VAL 73 HA VAL 73 6.235 26.630 -5.513 510 HB VAL 73 HB VAL 73 7.079 24.476 -4.650 511 HG11 VAL 73 HG11 VAL 73 4.498 23.459 -4.880 512 HG12 VAL 73 HG12 VAL 73 5.107 24.533 -3.619 513 HG13 VAL 73 HG13 VAL 73 4.312 25.205 -5.044 514 HG21 VAL 73 HG21 VAL 73 7.463 23.353 -6.781 515 HG22 VAL 73 HG22 VAL 73 6.419 22.384 -5.741 516 HG23 VAL 73 HG23 VAL 73 5.725 23.301 -7.078 517 H THR 74 H THR 74 7.221 25.202 -8.512 518 HA THR 74 HA THR 74 10.028 25.189 -7.987 519 HB THR 74 HB THR 74 10.031 25.204 -10.640 520 HG1 THR 74 HG1 THR 74 8.090 25.144 -11.463 521 HG21 THR 74 HG21 THR 74 10.107 23.260 -8.669 522 HG22 THR 74 HG22 THR 74 10.485 23.029 -10.377 523 HG23 THR 74 HG23 THR 74 8.862 22.686 -9.778 524 H GLU 75 H GLU 75 7.879 27.364 -9.808 525 HA GLU 75 HA GLU 75 9.895 29.196 -10.552 526 HB2 GLU 75 HB2 GLU 75 6.938 29.721 -10.209 527 HB3 GLU 75 HB3 GLU 75 8.069 30.700 -11.133 528 HG2 GLU 75 HG2 GLU 75 7.715 27.820 -11.816 529 HG3 GLU 75 HG3 GLU 75 6.511 29.000 -12.334 530 H TRP 76 H TRP 76 8.220 28.670 -7.606 531 HA TRP 76 HA TRP 76 8.619 31.320 -6.551 532 HB2 TRP 76 HB2 TRP 76 7.273 28.875 -5.719 533 HB3 TRP 76 HB3 TRP 76 8.150 29.632 -4.392 534 HD1 TRP 76 HD1 TRP 76 4.820 29.536 -5.358 535 HE1 TRP 76 HE1 TRP 76 3.550 31.743 -4.984 536 HE3 TRP 76 HE3 TRP 76 8.810 32.701 -4.909 537 HZ2 TRP 76 HZ2 TRP 76 4.160 34.466 -4.555 538 HZ3 TRP 76 HZ3 TRP 76 8.380 35.092 -4.519 539 HH2 TRP 76 HH2 TRP 76 6.103 35.954 -4.346 540 H VAL 77 H VAL 77 10.075 28.122 -6.027 541 HA VAL 77 HA VAL 77 11.976 28.981 -4.115 542 HB VAL 77 HB VAL 77 13.155 26.859 -4.621 543 HG11 VAL 77 HG11 VAL 77 11.727 26.072 -3.113 544 HG12 VAL 77 HG12 VAL 77 10.473 27.188 -3.659 545 HG13 VAL 77 HG13 VAL 77 10.647 25.610 -4.429 546 HG21 VAL 77 HG21 VAL 77 10.979 26.427 -6.664 547 HG22 VAL 77 HG22 VAL 77 12.648 26.848 -7.052 548 HG23 VAL 77 HG23 VAL 77 12.287 25.317 -6.254 549 H LYS 78 H LYS 78 11.915 29.004 -7.595 550 HA LYS 78 HA LYS 78 14.655 29.218 -8.131 551 HB2 LYS 78 HB2 LYS 78 12.152 29.708 -9.560 552 HB3 LYS 78 HB3 LYS 78 13.451 30.781 -10.064 553 HG2 LYS 78 HG2 LYS 78 14.661 28.304 -9.972 554 HG3 LYS 78 HG3 LYS 78 13.049 27.962 -10.606 555 HD2 LYS 78 HD2 LYS 78 14.648 30.238 -11.709 556 HD3 LYS 78 HD3 LYS 78 14.971 28.588 -12.244 557 HE2 LYS 78 HE2 LYS 78 12.147 29.497 -12.217 558 HE3 LYS 78 HE3 LYS 78 13.205 30.167 -13.459 559 HZ1 LYS 78 HZ1 LYS 78 13.741 27.937 -14.178 560 HZ2 LYS 78 HZ2 LYS 78 12.065 28.160 -14.208 561 HZ3 LYS 78 HZ3 LYS 78 12.777 27.270 -12.958 562 H GLY 79 H GLY 79 15.771 30.589 -6.799 563 HA2 GLY 79 HA2 GLY 79 16.773 32.779 -6.793 564 HA3 GLY 79 HA3 GLY 79 15.196 33.453 -7.177 565 H LYS 80 H LYS 80 14.853 31.046 -4.891 566 HA LYS 80 HA LYS 80 14.728 33.050 -2.742 567 HB2 LYS 80 HB2 LYS 80 12.840 31.182 -3.637 568 HB3 LYS 80 HB3 LYS 80 13.439 30.537 -2.114 569 HG2 LYS 80 HG2 LYS 80 11.843 31.835 -1.227 570 HG3 LYS 80 HG3 LYS 80 13.041 33.116 -1.427 571 HD2 LYS 80 HD2 LYS 80 11.759 34.173 -2.911 572 HD3 LYS 80 HD3 LYS 80 11.559 32.703 -3.868 573 HE2 LYS 80 HE2 LYS 80 9.999 33.243 -1.352 574 HE3 LYS 80 HE3 LYS 80 9.442 33.747 -2.947 575 HZ1 LYS 80 HZ1 LYS 80 8.440 31.714 -2.719 576 HZ2 LYS 80 HZ2 LYS 80 9.723 31.035 -1.851 577 HZ3 LYS 80 HZ3 LYS 80 9.860 31.266 -3.522 578 H SER 81 H SER 81 15.368 32.416 -0.597 579 HA SER 81 HA SER 81 17.811 30.919 -0.600 580 HB2 SER 81 HB2 SER 81 17.982 31.556 1.742 581 HB3 SER 81 HB3 SER 81 17.474 32.952 0.792 582 HG SER 81 HG SER 81 16.281 32.533 2.800 583 H LEU 82 H LEU 82 18.122 29.398 1.422 584 HA LEU 82 HA LEU 82 16.536 27.099 0.929 585 HB2 LEU 82 HB2 LEU 82 18.333 27.523 3.301 586 HB3 LEU 82 HB3 LEU 82 17.885 25.999 2.538 587 HG LEU 82 HG LEU 82 19.510 28.072 1.092 588 HD11 LEU 82 HD11 LEU 82 20.641 25.772 2.668 589 HD12 LEU 82 HD12 LEU 82 20.578 27.427 3.273 590 HD13 LEU 82 HD13 LEU 82 21.520 27.052 1.830 591 HD21 LEU 82 HD21 LEU 82 20.311 25.680 0.184 592 HD22 LEU 82 HD22 LEU 82 18.961 26.577 -0.512 593 HD23 LEU 82 HD23 LEU 82 18.656 25.280 0.645 594 H ASP 83 H ASP 83 16.711 29.385 3.633 595 HA ASP 83 HA ASP 83 14.769 28.074 5.231 596 HB2 ASP 83 HB2 ASP 83 16.192 30.669 5.277 597 HB3 ASP 83 HB3 ASP 83 14.646 30.625 6.118 598 H GLU 84 H GLU 84 14.598 30.754 2.922 599 HA GLU 84 HA GLU 84 11.955 31.512 3.312 600 HB2 GLU 84 HB2 GLU 84 13.821 31.623 0.977 601 HB3 GLU 84 HB3 GLU 84 12.130 32.039 0.737 602 HG2 GLU 84 HG2 GLU 84 13.208 33.360 3.063 603 HG3 GLU 84 HG3 GLU 84 14.163 33.709 1.623 604 H ALA 85 H ALA 85 13.166 29.301 0.784 605 HA ALA 85 HA ALA 85 10.703 28.456 -0.174 606 HB1 ALA 85 HB1 ALA 85 13.402 27.152 -0.116 607 HB2 ALA 85 HB2 ALA 85 12.005 26.338 -0.822 608 HB3 ALA 85 HB3 ALA 85 12.549 27.882 -1.476 609 H GLN 86 H GLN 86 12.649 27.140 2.477 610 HA GLN 86 HA GLN 86 10.872 24.973 3.016 611 HB2 GLN 86 HB2 GLN 86 13.428 25.476 3.702 612 HB3 GLN 86 HB3 GLN 86 12.625 25.981 5.183 613 HG2 GLN 86 HG2 GLN 86 11.518 23.494 4.386 614 HG3 GLN 86 HG3 GLN 86 13.275 23.364 4.322 615 HE21 GLN 86 HE21 GLN 86 11.082 25.149 6.459 616 HE22 GLN 86 HE22 GLN 86 11.671 24.456 7.928 617 H ALA 87 H ALA 87 10.677 28.274 3.587 618 HA ALA 87 HA ALA 87 9.135 28.067 6.041 619 HB1 ALA 87 HB1 ALA 87 10.522 30.168 4.622 620 HB2 ALA 87 HB2 ALA 87 8.896 30.667 5.092 621 HB3 ALA 87 HB3 ALA 87 10.027 30.086 6.313 622 H ILE 88 H ILE 88 8.599 28.101 2.657 623 HA ILE 88 HA ILE 88 6.131 29.287 2.362 624 HB ILE 88 HB ILE 88 7.133 26.776 1.016 625 HG12 ILE 88 HG12 ILE 88 7.120 29.619 -0.005 626 HG13 ILE 88 HG13 ILE 88 8.508 28.883 0.788 627 HG21 ILE 88 HG21 ILE 88 4.794 26.818 0.685 628 HG22 ILE 88 HG22 ILE 88 4.791 28.559 0.406 629 HG23 ILE 88 HG23 ILE 88 5.506 27.475 -0.788 630 HD11 ILE 88 HD11 ILE 88 8.921 28.689 -1.504 631 HD12 ILE 88 HD12 ILE 88 8.375 27.088 -1.003 632 HD13 ILE 88 HD13 ILE 88 7.269 28.173 -1.846 633 H LYS 89 H LYS 89 4.026 28.711 2.685 634 HA LYS 89 HA LYS 89 3.579 26.275 4.281 635 HB2 LYS 89 HB2 LYS 89 2.450 29.027 4.426 636 HB3 LYS 89 HB3 LYS 89 1.389 27.688 4.842 637 HG2 LYS 89 HG2 LYS 89 2.227 27.901 6.895 638 HG3 LYS 89 HG3 LYS 89 3.651 27.083 6.249 639 HD2 LYS 89 HD2 LYS 89 4.512 28.991 7.292 640 HD3 LYS 89 HD3 LYS 89 4.457 29.424 5.582 641 HE2 LYS 89 HE2 LYS 89 3.568 31.294 6.646 642 HE3 LYS 89 HE3 LYS 89 2.141 30.402 6.120 643 HZ1 LYS 89 HZ1 LYS 89 3.241 29.971 8.818 644 HZ2 LYS 89 HZ2 LYS 89 1.661 29.739 8.261 645 HZ3 LYS 89 HZ3 LYS 89 2.246 31.306 8.515 646 H ASN 90 H ASN 90 2.118 24.804 3.613 647 HA ASN 90 HA ASN 90 1.310 24.606 0.992 648 HB2 ASN 90 HB2 ASN 90 -0.352 22.927 1.797 649 HB3 ASN 90 HB3 ASN 90 1.264 22.684 2.455 650 HD21 ASN 90 HD21 ASN 90 -1.988 23.714 3.141 651 HD22 ASN 90 HD22 ASN 90 -1.863 23.635 4.862 652 H THR 91 H THR 91 -0.143 26.405 3.570 653 HA THR 91 HA THR 91 -2.757 26.686 2.662 654 HB THR 91 HB THR 91 -2.940 28.622 4.028 655 HG1 THR 91 HG1 THR 91 -1.236 29.883 3.372 656 HG21 THR 91 HG21 THR 91 -1.923 26.266 4.991 657 HG22 THR 91 HG22 THR 91 -2.525 27.595 5.982 658 HG23 THR 91 HG23 THR 91 -0.799 27.456 5.647 659 H ASP 92 H ASP 92 0.179 28.362 1.684 660 HA ASP 92 HA ASP 92 -1.147 30.303 0.061 661 HB2 ASP 92 HB2 ASP 92 1.591 29.628 0.781 662 HB3 ASP 92 HB3 ASP 92 1.447 30.067 -0.918 663 H ILE 93 H ILE 93 0.517 27.242 -0.600 664 HA ILE 93 HA ILE 93 0.222 27.332 -3.408 665 HB ILE 93 HB ILE 93 0.546 24.943 -1.589 666 HG12 ILE 93 HG12 ILE 93 2.892 25.341 -3.004 667 HG13 ILE 93 HG13 ILE 93 2.371 26.978 -2.621 668 HG21 ILE 93 HG21 ILE 93 0.268 25.197 -4.510 669 HG22 ILE 93 HG22 ILE 93 1.582 24.163 -3.951 670 HG23 ILE 93 HG23 ILE 93 -0.076 23.830 -3.449 671 HD11 ILE 93 HD11 ILE 93 2.563 24.821 -0.546 672 HD12 ILE 93 HD12 ILE 93 3.919 25.866 -0.971 673 HD13 ILE 93 HD13 ILE 93 2.441 26.564 -0.309 674 H ALA 94 H ALA 94 -1.602 25.491 -0.956 675 HA ALA 94 HA ALA 94 -3.491 24.328 -2.584 676 HB1 ALA 94 HB1 ALA 94 -4.479 23.683 -0.675 677 HB2 ALA 94 HB2 ALA 94 -3.073 24.417 0.097 678 HB3 ALA 94 HB3 ALA 94 -4.576 25.329 -0.050 679 H GLU 95 H GLU 95 -3.614 27.544 -1.078 680 HA GLU 95 HA GLU 95 -6.147 28.189 -2.259 681 HB2 GLU 95 HB2 GLU 95 -4.086 29.808 -0.770 682 HB3 GLU 95 HB3 GLU 95 -5.541 30.531 -1.441 683 HG2 GLU 95 HG2 GLU 95 -5.674 28.193 0.426 684 HG3 GLU 95 HG3 GLU 95 -5.557 29.849 1.019 685 H GLU 96 H GLU 96 -2.873 28.335 -3.262 686 HA GLU 96 HA GLU 96 -3.109 30.467 -5.134 687 HB2 GLU 96 HB2 GLU 96 -1.086 28.477 -4.384 688 HB3 GLU 96 HB3 GLU 96 -1.056 28.914 -6.086 689 HG2 GLU 96 HG2 GLU 96 -1.106 31.018 -3.961 690 HG3 GLU 96 HG3 GLU 96 0.401 30.239 -4.439 691 H LEU 97 H LEU 97 -3.217 26.930 -5.436 692 HA LEU 97 HA LEU 97 -4.103 27.205 -8.213 693 HB2 LEU 97 HB2 LEU 97 -2.992 24.962 -6.582 694 HB3 LEU 97 HB3 LEU 97 -3.928 24.609 -8.033 695 HG LEU 97 HG LEU 97 -1.560 24.546 -8.523 696 HD11 LEU 97 HD11 LEU 97 -2.747 27.054 -9.694 697 HD12 LEU 97 HD12 LEU 97 -3.167 25.421 -10.211 698 HD13 LEU 97 HD13 LEU 97 -1.517 26.012 -10.411 699 HD21 LEU 97 HD21 LEU 97 -0.044 26.061 -7.845 700 HD22 LEU 97 HD22 LEU 97 -1.273 26.483 -6.652 701 HD23 LEU 97 HD23 LEU 97 -1.123 27.426 -8.136 702 H GLU 98 H GLU 98 -5.412 26.948 -5.162 703 HA GLU 98 HA GLU 98 -7.458 26.389 -4.329 704 HB2 GLU 98 HB2 GLU 98 -8.075 27.193 -7.156 705 HB3 GLU 98 HB3 GLU 98 -9.355 26.661 -6.075 706 HG2 GLU 98 HG2 GLU 98 -7.967 28.523 -4.582 707 HG3 GLU 98 HG3 GLU 98 -7.971 29.200 -6.209 708 H LEU 99 H LEU 99 -6.211 24.151 -4.486 709 HA LEU 99 HA LEU 99 -7.143 22.206 -6.301 710 HB2 LEU 99 HB2 LEU 99 -5.747 22.147 -3.668 711 HB3 LEU 99 HB3 LEU 99 -6.413 20.648 -4.313 712 HG LEU 99 HG LEU 99 -4.003 20.952 -4.789 713 HD11 LEU 99 HD11 LEU 99 -5.445 19.571 -6.227 714 HD12 LEU 99 HD12 LEU 99 -4.119 20.317 -7.119 715 HD13 LEU 99 HD13 LEU 99 -5.749 20.978 -7.247 716 HD21 LEU 99 HD21 LEU 99 -3.304 22.600 -6.438 717 HD22 LEU 99 HD22 LEU 99 -4.010 23.390 -5.028 718 HD23 LEU 99 HD23 LEU 99 -4.946 23.239 -6.515 719 HA PRO 100 HA PRO 100 -11.146 21.207 -4.784 720 HB2 PRO 100 HB2 PRO 100 -11.303 18.604 -5.538 721 HB3 PRO 100 HB3 PRO 100 -11.401 19.945 -6.687 722 HG2 PRO 100 HG2 PRO 100 -9.064 18.204 -6.001 723 HG3 PRO 100 HG3 PRO 100 -9.612 18.765 -7.591 724 HD2 PRO 100 HD2 PRO 100 -7.550 19.920 -6.271 725 HD3 PRO 100 HD3 PRO 100 -8.634 20.836 -7.338 726 HA PRO 101 HA PRO 101 -10.812 19.330 -0.817 727 HB2 PRO 101 HB2 PRO 101 -13.345 18.416 -0.475 728 HB3 PRO 101 HB3 PRO 101 -12.924 20.131 -0.399 729 HG2 PRO 101 HG2 PRO 101 -14.106 18.568 -2.663 730 HG3 PRO 101 HG3 PRO 101 -14.539 20.183 -2.072 731 HD2 PRO 101 HD2 PRO 101 -12.988 19.800 -4.258 732 HD3 PRO 101 HD3 PRO 101 -12.789 21.196 -3.178 733 H VAL 102 H VAL 102 -11.417 17.525 -3.619 734 HA VAL 102 HA VAL 102 -11.940 14.967 -2.598 735 HB VAL 102 HB VAL 102 -11.031 14.109 -4.729 736 HG11 VAL 102 HG11 VAL 102 -12.501 15.908 -6.138 737 HG12 VAL 102 HG12 VAL 102 -13.177 14.573 -5.204 738 HG13 VAL 102 HG13 VAL 102 -13.088 16.188 -4.499 739 HG21 VAL 102 HG21 VAL 102 -9.829 16.786 -4.787 740 HG22 VAL 102 HG22 VAL 102 -9.290 15.283 -5.535 741 HG23 VAL 102 HG23 VAL 102 -10.537 16.258 -6.313 742 H LYS 103 H LYS 103 -8.927 16.722 -3.064 743 HA LYS 103 HA LYS 103 -7.572 14.953 -1.237 744 HB2 LYS 103 HB2 LYS 103 -7.454 14.002 -3.685 745 HB3 LYS 103 HB3 LYS 103 -6.234 15.250 -3.898 746 HG2 LYS 103 HG2 LYS 103 -5.047 13.316 -3.331 747 HG3 LYS 103 HG3 LYS 103 -5.094 14.275 -1.850 748 HD2 LYS 103 HD2 LYS 103 -7.403 12.615 -1.914 749 HD3 LYS 103 HD3 LYS 103 -5.992 11.614 -2.264 750 HE2 LYS 103 HE2 LYS 103 -4.971 12.140 -0.230 751 HE3 LYS 103 HE3 LYS 103 -5.990 13.557 0.021 752 HZ1 LYS 103 HZ1 LYS 103 -7.247 12.258 1.285 753 HZ2 LYS 103 HZ2 LYS 103 -6.440 10.854 0.798 754 HZ3 LYS 103 HZ3 LYS 103 -7.733 11.446 -0.118 755 H ILE 104 H ILE 104 -7.928 17.331 -0.473 756 HA ILE 104 HA ILE 104 -6.477 19.477 -1.416 757 HB ILE 104 HB ILE 104 -7.019 18.774 1.471 758 HG12 ILE 104 HG12 ILE 104 -9.031 18.939 0.020 759 HG13 ILE 104 HG13 ILE 104 -8.975 20.191 1.256 760 HG21 ILE 104 HG21 ILE 104 -5.588 20.467 1.845 761 HG22 ILE 104 HG22 ILE 104 -5.710 21.071 0.193 762 HG23 ILE 104 HG23 ILE 104 -6.954 21.479 1.375 763 HD11 ILE 104 HD11 ILE 104 -9.718 20.996 -0.958 764 HD12 ILE 104 HD12 ILE 104 -8.281 21.822 -0.354 765 HD13 ILE 104 HD13 ILE 104 -8.129 20.586 -1.603 766 H HIS 105 H HIS 105 -5.342 16.636 0.201 767 HA HIS 105 HA HIS 105 -2.929 17.513 1.268 768 HB2 HIS 105 HB2 HIS 105 -4.186 15.019 0.764 769 HB3 HIS 105 HB3 HIS 105 -2.552 14.920 0.115 770 HD1 HIS 105 HD1 HIS 105 -3.767 16.614 3.296 771 HD2 HIS 105 HD2 HIS 105 -1.178 13.614 2.049 772 HE1 HIS 105 HE1 HIS 105 -2.577 15.847 5.374 773 H CYS 106 H CYS 106 -3.886 17.158 -2.013 774 HA CYS 106 HA CYS 106 -1.418 16.732 -3.259 775 HB2 CYS 106 HB2 CYS 106 -3.957 18.076 -4.153 776 HB3 CYS 106 HB3 CYS 106 -2.551 17.991 -5.207 777 HG CYS 106 HG CYS 106 -3.660 15.876 -6.238 778 H SER 107 H SER 107 -2.649 19.475 -1.625 779 HA SER 107 HA SER 107 -0.841 21.339 -2.935 780 HB2 SER 107 HB2 SER 107 -2.578 21.897 -0.529 781 HB3 SER 107 HB3 SER 107 -1.922 23.055 -1.687 782 HG SER 107 HG SER 107 -4.213 21.610 -1.805 783 H ILE 108 H ILE 108 -1.168 19.614 0.104 784 HA ILE 108 HA ILE 108 0.902 20.975 1.488 785 HB ILE 108 HB ILE 108 -0.408 18.299 1.913 786 HG12 ILE 108 HG12 ILE 108 -1.100 19.554 4.056 787 HG13 ILE 108 HG13 ILE 108 -0.546 21.005 3.228 788 HG21 ILE 108 HG21 ILE 108 1.769 17.932 2.735 789 HG22 ILE 108 HG22 ILE 108 1.865 19.549 3.430 790 HG23 ILE 108 HG23 ILE 108 0.796 18.343 4.146 791 HD11 ILE 108 HD11 ILE 108 -2.377 21.109 1.968 792 HD12 ILE 108 HD12 ILE 108 -2.350 19.379 1.623 793 HD13 ILE 108 HD13 ILE 108 -3.069 19.969 3.122 794 H LEU 109 H LEU 109 0.850 18.342 -0.784 795 HA LEU 109 HA LEU 109 3.477 17.374 -0.197 796 HB2 LEU 109 HB2 LEU 109 1.704 17.002 -2.605 797 HB3 LEU 109 HB3 LEU 109 3.230 16.159 -2.350 798 HG LEU 109 HG LEU 109 0.688 15.871 -0.758 799 HD11 LEU 109 HD11 LEU 109 2.111 14.270 -2.807 800 HD12 LEU 109 HD12 LEU 109 0.383 14.467 -2.519 801 HD13 LEU 109 HD13 LEU 109 1.334 13.402 -1.483 802 HD21 LEU 109 HD21 LEU 109 3.461 15.365 -0.010 803 HD22 LEU 109 HD22 LEU 109 2.426 13.944 0.135 804 HD23 LEU 109 HD23 LEU 109 2.009 15.431 0.989 805 H ALA 110 H ALA 110 2.204 19.980 -2.031 806 HA ALA 110 HA ALA 110 4.316 20.273 -3.906 807 HB1 ALA 110 HB1 ALA 110 3.062 21.927 -4.719 808 HB2 ALA 110 HB2 ALA 110 1.861 21.457 -3.515 809 HB3 ALA 110 HB3 ALA 110 3.000 22.757 -3.164 810 H GLU 111 H GLU 111 3.673 21.709 -0.727 811 HA GLU 111 HA GLU 111 6.062 23.300 -0.764 812 HB2 GLU 111 HB2 GLU 111 5.490 23.717 1.640 813 HB3 GLU 111 HB3 GLU 111 4.213 24.129 0.505 814 HG2 GLU 111 HG2 GLU 111 2.834 22.483 1.235 815 HG3 GLU 111 HG3 GLU 111 4.162 21.413 1.680 816 H ASP 112 H ASP 112 5.255 20.079 0.127 817 HA ASP 112 HA ASP 112 7.514 19.703 1.884 818 HB2 ASP 112 HB2 ASP 112 5.416 17.866 0.747 819 HB3 ASP 112 HB3 ASP 112 6.800 17.240 1.640 820 H ALA 113 H ALA 113 6.627 18.784 -1.420 821 HA ALA 113 HA ALA 113 8.819 17.202 -2.053 822 HB1 ALA 113 HB1 ALA 113 8.337 17.702 -4.380 823 HB2 ALA 113 HB2 ALA 113 6.840 17.441 -3.483 824 HB3 ALA 113 HB3 ALA 113 7.345 19.079 -3.897 825 H ILE 114 H ILE 114 8.469 20.720 -2.179 826 HA ILE 114 HA ILE 114 11.008 21.208 -3.361 827 HB ILE 114 HB ILE 114 10.675 23.547 -2.660 828 HG12 ILE 114 HG12 ILE 114 8.216 22.440 -1.289 829 HG13 ILE 114 HG13 ILE 114 9.609 23.176 -0.503 830 HG21 ILE 114 HG21 ILE 114 7.994 22.891 -3.656 831 HG22 ILE 114 HG22 ILE 114 9.246 23.919 -4.352 832 HG23 ILE 114 HG23 ILE 114 9.323 22.170 -4.563 833 HD11 ILE 114 HD11 ILE 114 7.422 24.459 -2.069 834 HD12 ILE 114 HD12 ILE 114 8.076 24.886 -0.487 835 HD13 ILE 114 HD13 ILE 114 8.997 25.242 -1.948 836 H LYS 115 H LYS 115 9.850 20.972 -0.050 837 HA LYS 115 HA LYS 115 12.175 21.971 1.213 838 HB2 LYS 115 HB2 LYS 115 10.136 21.870 2.463 839 HB3 LYS 115 HB3 LYS 115 9.976 20.142 2.176 840 HG2 LYS 115 HG2 LYS 115 12.007 19.764 3.527 841 HG3 LYS 115 HG3 LYS 115 12.064 21.494 3.873 842 HD2 LYS 115 HD2 LYS 115 9.699 19.739 4.513 843 HD3 LYS 115 HD3 LYS 115 10.997 20.086 5.658 844 HE2 LYS 115 HE2 LYS 115 10.474 22.395 5.687 845 HE3 LYS 115 HE3 LYS 115 9.414 22.246 4.287 846 HZ1 LYS 115 HZ1 LYS 115 7.710 21.612 5.558 847 HZ2 LYS 115 HZ2 LYS 115 8.599 22.226 6.859 848 HZ3 LYS 115 HZ3 LYS 115 8.654 20.573 6.503 849 H ALA 116 H ALA 116 11.142 18.701 0.333 850 HA ALA 116 HA ALA 116 13.139 17.220 1.545 851 HB1 ALA 116 HB1 ALA 116 12.785 15.606 -0.385 852 HB2 ALA 116 HB2 ALA 116 11.359 16.041 0.557 853 HB3 ALA 116 HB3 ALA 116 11.634 16.783 -1.019 854 H ALA 117 H ALA 117 13.301 19.259 -1.267 855 HA ALA 117 HA ALA 117 15.801 18.215 -2.225 856 HB1 ALA 117 HB1 ALA 117 15.467 19.518 -4.024 857 HB2 ALA 117 HB2 ALA 117 13.835 19.684 -3.376 858 HB3 ALA 117 HB3 ALA 117 15.042 20.928 -3.053 859 H ILE 118 H ILE 118 14.770 20.946 -0.246 860 HA ILE 118 HA ILE 118 17.240 22.285 -0.121 861 HB ILE 118 HB ILE 118 15.025 22.215 1.931 862 HG12 ILE 118 HG12 ILE 118 15.607 24.191 -0.286 863 HG13 ILE 118 HG13 ILE 118 14.311 23.000 -0.297 864 HG21 ILE 118 HG21 ILE 118 16.412 24.663 1.988 865 HG22 ILE 118 HG22 ILE 118 16.356 23.418 3.235 866 HG23 ILE 118 HG23 ILE 118 17.631 23.388 2.016 867 HD11 ILE 118 HD11 ILE 118 13.958 24.401 2.073 868 HD12 ILE 118 HD12 ILE 118 14.387 25.625 0.877 869 HD13 ILE 118 HD13 ILE 118 13.015 24.555 0.591 870 H ALA 119 H ALA 119 15.910 19.616 1.739 871 HA ALA 119 HA ALA 119 18.028 19.616 3.680 872 HB1 ALA 119 HB1 ALA 119 16.410 17.174 3.293 873 HB2 ALA 119 HB2 ALA 119 16.831 18.037 4.773 874 HB3 ALA 119 HB3 ALA 119 15.536 18.640 3.739 875 H ASP 120 H ASP 120 17.569 18.326 0.532 876 HA ASP 120 HA ASP 120 19.444 16.167 0.769 877 HB2 ASP 120 HB2 ASP 120 17.583 17.111 -1.187 878 HB3 ASP 120 HB3 ASP 120 19.162 16.945 -1.949 879 H TYR 121 H TYR 121 19.556 19.515 -0.287 880 HA TYR 121 HA TYR 121 22.132 19.434 -1.451 881 HB2 TYR 121 HB2 TYR 121 20.699 21.266 -1.998 882 HB3 TYR 121 HB3 TYR 121 20.498 21.699 -0.303 883 HD1 TYR 121 HD1 TYR 121 23.268 21.258 -2.781 884 HD2 TYR 121 HD2 TYR 121 21.687 23.519 0.458 885 HE1 TYR 121 HE1 TYR 121 25.150 22.830 -2.967 886 HE2 TYR 121 HE2 TYR 121 23.564 25.098 0.280 887 HH TYR 121 HH TYR 121 25.433 25.624 -0.787 888 H LYS 122 H LYS 122 21.015 20.412 1.779 889 HA LYS 122 HA LYS 122 23.481 21.147 2.847 890 HB2 LYS 122 HB2 LYS 122 21.268 19.799 4.394 891 HB3 LYS 122 HB3 LYS 122 22.470 20.927 5.007 892 HG2 LYS 122 HG2 LYS 122 21.234 22.362 3.015 893 HG3 LYS 122 HG3 LYS 122 19.911 21.436 3.728 894 HD2 LYS 122 HD2 LYS 122 21.398 22.359 5.899 895 HD3 LYS 122 HD3 LYS 122 21.339 23.721 4.776 896 HE2 LYS 122 HE2 LYS 122 18.954 23.675 4.735 897 HE3 LYS 122 HE3 LYS 122 18.910 22.149 5.616 898 HZ1 LYS 122 HZ1 LYS 122 20.338 24.171 7.040 899 HZ2 LYS 122 HZ2 LYS 122 19.041 23.210 7.548 900 HZ3 LYS 122 HZ3 LYS 122 18.749 24.648 6.705 901 H SER 123 H SER 123 22.179 18.019 2.164 902 HA SER 123 HA SER 123 24.007 16.595 3.883 903 HB2 SER 123 HB2 SER 123 21.840 15.858 1.977 904 HB3 SER 123 HB3 SER 123 23.082 14.649 2.300 905 HG SER 123 HG SER 123 21.624 14.307 3.867 906 H LYS 124 H LYS 124 24.039 17.874 0.702 907 HA LYS 124 HA LYS 124 25.988 16.108 -0.410 908 HB2 LYS 124 HB2 LYS 124 25.066 18.867 -1.223 909 HB3 LYS 124 HB3 LYS 124 26.210 17.908 -2.152 910 HG2 LYS 124 HG2 LYS 124 23.470 16.904 -1.452 911 HG3 LYS 124 HG3 LYS 124 23.793 17.857 -2.902 912 HD2 LYS 124 HD2 LYS 124 25.567 16.144 -3.472 913 HD3 LYS 124 HD3 LYS 124 24.902 15.154 -2.170 914 HE2 LYS 124 HE2 LYS 124 22.848 14.894 -3.271 915 HE3 LYS 124 HE3 LYS 124 23.169 16.234 -4.371 916 HZ1 LYS 124 HZ1 LYS 124 23.671 14.544 -5.755 917 HZ2 LYS 124 HZ2 LYS 124 24.053 13.465 -4.510 918 HZ3 LYS 124 HZ3 LYS 124 25.179 14.631 -4.994 919 H ARG 125 H ARG 125 26.103 18.891 1.628 920 HA ARG 125 HA ARG 125 29.013 19.098 1.246 921 HB2 ARG 125 HB2 ARG 125 28.741 21.294 2.476 922 HB3 ARG 125 HB3 ARG 125 28.011 21.216 0.878 923 HG2 ARG 125 HG2 ARG 125 25.986 21.637 1.686 924 HG3 ARG 125 HG3 ARG 125 26.153 20.411 2.944 925 HD2 ARG 125 HD2 ARG 125 25.964 22.318 4.212 926 HD3 ARG 125 HD3 ARG 125 27.715 22.191 4.053 927 HE ARG 125 HE ARG 125 26.798 23.746 1.938 928 HH11 ARG 125 HH11 ARG 125 26.940 23.892 5.413 929 HH12 ARG 125 HH12 ARG 125 27.025 25.621 5.467 930 HH21 ARG 125 HH21 ARG 125 26.910 26.023 1.996 931 HH22 ARG 125 HH22 ARG 125 27.008 26.833 3.523 932 H GLU 126 H GLU 126 26.747 17.741 3.248 933 HA GLU 126 HA GLU 126 28.197 18.153 5.732 934 HB2 GLU 126 HB2 GLU 126 25.541 17.264 4.975 935 HB3 GLU 126 HB3 GLU 126 26.269 16.178 6.150 936 HG2 GLU 126 HG2 GLU 126 26.729 18.880 6.951 937 HG3 GLU 126 HG3 GLU 126 25.015 18.649 6.610 938 H ALA 127 H ALA 127 27.917 15.802 3.206 939 HA ALA 127 HA ALA 127 29.935 14.159 4.552 940 HB1 ALA 127 HB1 ALA 127 28.379 12.287 3.237 941 HB2 ALA 127 HB2 ALA 127 28.437 12.567 4.978 942 HB3 ALA 127 HB3 ALA 127 27.204 13.360 3.998 943 H LYS 128 H LYS 128 31.575 14.658 3.184 944 HA LYS 128 HA LYS 128 31.615 13.422 0.620 945 HB2 LYS 128 HB2 LYS 128 30.338 15.495 0.098 946 HB3 LYS 128 HB3 LYS 128 31.712 16.444 0.650 947 HG2 LYS 128 HG2 LYS 128 32.451 16.403 -1.438 948 HG3 LYS 128 HG3 LYS 128 32.789 14.686 -1.209 949 HD2 LYS 128 HD2 LYS 128 30.409 14.242 -1.909 950 HD3 LYS 128 HD3 LYS 128 30.307 15.944 -2.366 951 HE2 LYS 128 HE2 LYS 128 32.344 15.535 -3.813 952 HE3 LYS 128 HE3 LYS 128 32.100 13.815 -3.514 953 HZ1 LYS 128 HZ1 LYS 128 31.083 14.757 -5.606 954 HZ2 LYS 128 HZ2 LYS 128 29.961 15.541 -4.612 955 HZ3 LYS 128 HZ3 LYS 128 30.049 13.852 -4.618 Start of MODEL 3 1 H1 MET 1 H MET 1 4.433 21.575 -51.319 2 HA MET 1 HA MET 1 6.661 20.923 -51.076 3 HB2 MET 1 HB2 MET 1 8.414 21.880 -52.544 4 HB3 MET 1 HB3 MET 1 7.138 21.068 -53.442 5 HG2 MET 1 HG2 MET 1 6.114 23.450 -53.616 6 HG3 MET 1 HG3 MET 1 7.753 23.978 -53.239 7 HE1 MET 1 HE1 MET 1 7.642 25.319 -55.090 8 HE2 MET 1 HE2 MET 1 8.599 24.829 -56.488 9 HE3 MET 1 HE3 MET 1 6.838 24.853 -56.589 10 H ALA 2 H ALA 2 7.425 21.644 -49.210 11 HA ALA 2 HA ALA 2 8.419 24.313 -48.907 12 HB1 ALA 2 HB1 ALA 2 5.716 23.967 -48.326 13 HB2 ALA 2 HB2 ALA 2 6.525 23.980 -46.758 14 HB3 ALA 2 HB3 ALA 2 6.737 25.331 -47.871 15 H TYR 3 H TYR 3 9.045 24.663 -46.490 16 HA TYR 3 HA TYR 3 10.094 22.108 -45.460 17 HB2 TYR 3 HB2 TYR 3 11.356 24.854 -45.315 18 HB3 TYR 3 HB3 TYR 3 12.016 23.393 -44.589 19 HD1 TYR 3 HD2 TYR 3 11.626 21.406 -46.705 20 HD2 TYR 3 HD1 TYR 3 12.855 25.470 -46.979 21 HE1 TYR 3 HE2 TYR 3 12.813 20.900 -48.799 22 HE2 TYR 3 HE1 TYR 3 14.045 24.975 -49.074 23 HH TYR 3 HH TYR 3 13.932 23.280 -50.899 24 H SER 4 H SER 4 9.774 25.431 -44.210 25 HA SER 4 HA SER 4 8.929 26.251 -42.264 26 HB2 SER 4 HB2 SER 4 7.011 24.444 -43.241 27 HB3 SER 4 HB3 SER 4 7.158 24.091 -41.519 28 HG SER 4 HG SER 4 6.503 26.550 -42.756 29 H GLU 5 H GLU 5 10.641 26.171 -40.894 30 HA GLU 5 HA GLU 5 10.915 23.738 -39.252 31 HB2 GLU 5 HB2 GLU 5 12.847 24.737 -40.855 32 HB3 GLU 5 HB3 GLU 5 13.188 25.630 -39.379 33 HG2 GLU 5 HG2 GLU 5 14.495 23.815 -39.022 34 HG3 GLU 5 HG3 GLU 5 12.996 23.229 -38.301 35 H LYS 6 H LYS 6 11.383 24.014 -37.025 36 HA LYS 6 HA LYS 6 11.002 26.713 -35.944 37 HB2 LYS 6 HB2 LYS 6 9.397 24.262 -35.232 38 HB3 LYS 6 HB3 LYS 6 9.502 25.661 -34.171 39 HG2 LYS 6 HG2 LYS 6 8.772 26.920 -36.388 40 HG3 LYS 6 HG3 LYS 6 8.089 25.334 -36.753 41 HD2 LYS 6 HD2 LYS 6 6.772 25.367 -34.756 42 HD3 LYS 6 HD3 LYS 6 7.587 26.823 -34.180 43 HE2 LYS 6 HE2 LYS 6 6.690 27.999 -36.214 44 HE3 LYS 6 HE3 LYS 6 5.717 26.562 -36.527 45 HZ1 LYS 6 HZ1 LYS 6 5.463 27.507 -33.835 46 HZ2 LYS 6 HZ2 LYS 6 4.261 27.144 -34.968 47 HZ3 LYS 6 HZ3 LYS 6 4.991 28.670 -34.970 48 H VAL 7 H VAL 7 13.138 26.811 -35.296 49 HA VAL 7 HA VAL 7 13.880 24.952 -33.133 50 HB VAL 7 HB VAL 7 16.226 25.150 -33.796 51 HG11 VAL 7 HG11 VAL 7 16.039 23.936 -36.015 52 HG12 VAL 7 HG12 VAL 7 15.138 23.244 -34.664 53 HG13 VAL 7 HG13 VAL 7 14.298 24.190 -35.894 54 HG21 VAL 7 HG21 VAL 7 16.894 26.842 -35.070 55 HG22 VAL 7 HG22 VAL 7 16.037 26.125 -36.435 56 HG23 VAL 7 HG23 VAL 7 15.221 27.294 -35.398 57 H ILE 8 H ILE 8 15.819 25.950 -31.857 58 HA ILE 8 HA ILE 8 16.402 27.505 -30.295 59 HB ILE 8 HB ILE 8 15.900 29.493 -32.509 60 HG12 ILE 8 HG12 ILE 8 18.420 27.931 -31.908 61 HG13 ILE 8 HG13 ILE 8 17.329 27.601 -33.249 62 HG21 ILE 8 HG21 ILE 8 16.268 30.433 -30.257 63 HG22 ILE 8 HG22 ILE 8 17.812 29.586 -30.181 64 HG23 ILE 8 HG23 ILE 8 17.557 30.847 -31.387 65 HD11 ILE 8 HD11 ILE 8 19.520 29.363 -33.171 66 HD12 ILE 8 HD12 ILE 8 18.393 29.076 -34.497 67 HD13 ILE 8 HD13 ILE 8 18.066 30.348 -33.321 68 H ASP 9 H ASP 9 14.389 27.023 -29.147 69 HA ASP 9 HA ASP 9 12.832 29.457 -28.778 70 HB2 ASP 9 HB2 ASP 9 11.781 26.990 -29.976 71 HB3 ASP 9 HB3 ASP 9 10.835 27.582 -28.614 72 H HIS 10 H HIS 10 14.016 29.529 -26.805 73 HA HIS 10 HA HIS 10 14.160 29.301 -24.543 74 HB2 HIS 10 HB2 HIS 10 11.536 28.327 -25.180 75 HB3 HIS 10 HB3 HIS 10 12.225 27.340 -23.894 76 HD1 HIS 10 HD1 HIS 10 11.317 28.183 -21.760 77 HD2 HIS 10 HD2 HIS 10 12.312 31.282 -24.342 78 HE1 HIS 10 HE1 HIS 10 10.886 30.298 -20.469 79 H TYR 11 H TYR 11 12.971 26.049 -25.340 80 HA TYR 11 HA TYR 11 15.636 24.978 -24.717 81 HB2 TYR 11 HB2 TYR 11 13.369 24.739 -23.059 82 HB3 TYR 11 HB3 TYR 11 13.584 23.167 -23.821 83 HD1 TYR 11 HD2 TYR 11 15.346 25.758 -21.829 84 HD2 TYR 11 HD1 TYR 11 15.252 21.691 -23.074 85 HE1 TYR 11 HE2 TYR 11 17.132 25.231 -20.222 86 HE2 TYR 11 HE1 TYR 11 17.036 21.152 -21.470 87 HH TYR 11 HH TYR 11 18.990 23.333 -20.092 88 H GLU 12 H GLU 12 16.164 23.016 -25.725 89 HA GLU 12 HA GLU 12 14.609 22.493 -28.142 90 HB2 GLU 12 HB2 GLU 12 16.602 21.189 -28.851 91 HB3 GLU 12 HB3 GLU 12 16.964 22.871 -28.492 92 HG2 GLU 12 HG2 GLU 12 17.329 21.426 -26.101 93 HG3 GLU 12 HG3 GLU 12 18.110 20.509 -27.388 94 H ASN 13 H ASN 13 15.518 21.017 -25.128 95 HA ASN 13 HA ASN 13 14.975 19.042 -24.137 96 HB2 ASN 13 HB2 ASN 13 12.664 18.961 -26.083 97 HB3 ASN 13 HB3 ASN 13 12.750 18.217 -24.489 98 HD21 ASN 13 HD21 ASN 13 13.724 20.202 -22.938 99 HD22 ASN 13 HD22 ASN 13 12.620 21.530 -22.898 100 HA PRO 14 HA PRO 14 16.872 16.667 -27.661 101 HB2 PRO 14 HB2 PRO 14 19.096 15.935 -26.287 102 HB3 PRO 14 HB3 PRO 14 18.975 17.456 -27.180 103 HG2 PRO 14 HG2 PRO 14 18.637 16.949 -24.249 104 HG3 PRO 14 HG3 PRO 14 19.496 18.268 -25.064 105 HD2 PRO 14 HD2 PRO 14 17.011 18.566 -24.032 106 HD3 PRO 14 HD3 PRO 14 17.557 19.445 -25.475 107 H ARG 15 H ARG 15 16.850 15.890 -24.187 108 HA ARG 15 HA ARG 15 15.280 13.593 -24.441 109 HB2 ARG 15 HB2 ARG 15 17.979 13.169 -25.216 110 HB3 ARG 15 HB3 ARG 15 17.744 12.365 -23.669 111 HG2 ARG 15 HG2 ARG 15 15.532 11.840 -25.433 112 HG3 ARG 15 HG3 ARG 15 17.065 11.409 -26.194 113 HD2 ARG 15 HD2 ARG 15 17.535 10.319 -23.843 114 HD3 ARG 15 HD3 ARG 15 15.775 10.308 -23.745 115 HE ARG 15 HE ARG 15 17.410 8.597 -25.331 116 HH11 ARG 15 HH11 ARG 15 14.324 10.204 -25.227 117 HH12 ARG 15 HH12 ARG 15 13.542 9.052 -26.258 118 HH21 ARG 15 HH21 ARG 15 16.392 7.073 -26.689 119 HH22 ARG 15 HH22 ARG 15 14.719 7.271 -27.089 120 H ASN 16 H ASN 16 17.819 15.262 -22.683 121 HA ASN 16 HA ASN 16 17.371 14.043 -20.169 122 HB2 ASN 16 HB2 ASN 16 18.806 16.459 -21.149 123 HB3 ASN 16 HB3 ASN 16 18.409 16.396 -19.434 124 HD21 ASN 16 HD21 ASN 16 20.999 16.471 -20.171 125 HD22 ASN 16 HD22 ASN 16 21.754 14.943 -19.886 126 H VAL 17 H VAL 17 16.410 17.264 -21.368 127 HA VAL 17 HA VAL 17 14.767 18.701 -20.704 128 HB VAL 17 HB VAL 17 13.285 16.106 -20.258 129 HG11 VAL 17 HG11 VAL 17 11.910 17.590 -19.187 130 HG12 VAL 17 HG12 VAL 17 12.440 18.959 -20.167 131 HG13 VAL 17 HG13 VAL 17 11.327 17.767 -20.842 132 HG21 VAL 17 HG21 VAL 17 13.904 16.111 -22.504 133 HG22 VAL 17 HG22 VAL 17 12.289 16.818 -22.524 134 HG23 VAL 17 HG23 VAL 17 13.708 17.857 -22.654 135 H GLY 18 H GLY 18 15.979 19.409 -18.850 136 HA2 GLY 18 HA2 GLY 18 15.721 20.166 -16.648 137 HA3 GLY 18 HA3 GLY 18 14.532 18.901 -16.376 138 H SER 19 H SER 19 15.901 16.635 -17.044 139 HA SER 19 HA SER 19 17.270 15.982 -14.748 140 HB2 SER 19 HB2 SER 19 16.380 14.414 -16.550 141 HB3 SER 19 HB3 SER 19 17.881 14.722 -17.424 142 HG SER 19 HG SER 19 18.493 13.064 -16.241 143 H PHE 20 H PHE 20 19.187 16.504 -13.945 144 HA PHE 20 HA PHE 20 21.359 17.221 -15.788 145 HB2 PHE 20 HB2 PHE 20 20.148 18.871 -13.653 146 HB3 PHE 20 HB3 PHE 20 21.908 18.853 -13.697 147 HD1 PHE 20 HD1 PHE 20 22.727 18.935 -16.354 148 HD2 PHE 20 HD2 PHE 20 19.254 20.716 -14.658 149 HE1 PHE 20 HE1 PHE 20 22.700 20.598 -18.166 150 HE2 PHE 20 HE2 PHE 20 19.220 22.382 -16.468 151 HZ PHE 20 HZ PHE 20 20.944 22.324 -18.226 152 H ASP 21 H ASP 21 23.349 16.477 -15.243 153 HA ASP 21 HA ASP 21 23.516 14.865 -12.785 154 HB2 ASP 21 HB2 ASP 21 24.034 14.168 -15.451 155 HB3 ASP 21 HB3 ASP 21 25.618 14.322 -14.696 156 H ASN 22 H ASN 22 24.060 17.783 -13.162 157 HA ASN 22 HA ASN 22 26.825 18.281 -13.126 158 HB2 ASN 22 HB2 ASN 22 24.513 19.818 -13.010 159 HB3 ASN 22 HB3 ASN 22 25.295 20.118 -11.461 160 HD21 ASN 22 HD21 ASN 22 25.720 20.226 -14.940 161 HD22 ASN 22 HD22 ASN 22 26.976 21.413 -14.938 162 H ASN 23 H ASN 23 27.440 19.684 -10.883 163 HA ASN 23 HA ASN 23 28.164 17.645 -9.064 164 HB2 ASN 23 HB2 ASN 23 28.191 20.574 -8.376 165 HB3 ASN 23 HB3 ASN 23 29.308 19.313 -7.864 166 HD21 ASN 23 HD21 ASN 23 29.532 21.962 -9.349 167 HD22 ASN 23 HD22 ASN 23 30.524 21.582 -10.712 168 H ASP 24 H ASP 24 26.497 16.606 -8.088 169 HA ASP 24 HA ASP 24 24.122 17.752 -7.168 170 HB2 ASP 24 HB2 ASP 24 23.815 15.702 -5.880 171 HB3 ASP 24 HB3 ASP 24 24.446 15.326 -7.481 172 H GLU 25 H GLU 25 27.287 17.873 -5.869 173 HA GLU 25 HA GLU 25 26.893 18.085 -3.148 174 HB2 GLU 25 HB2 GLU 25 28.916 19.477 -3.098 175 HB3 GLU 25 HB3 GLU 25 29.110 18.092 -4.163 176 HG2 GLU 25 HG2 GLU 25 28.468 19.668 -6.057 177 HG3 GLU 25 HG3 GLU 25 28.728 20.971 -4.899 178 H ASN 26 H ASN 26 26.061 20.337 -5.661 179 HA ASN 26 HA ASN 26 25.162 22.262 -3.619 180 HB2 ASN 26 HB2 ASN 26 25.149 23.820 -5.751 181 HB3 ASN 26 HB3 ASN 26 26.641 23.522 -4.863 182 HD21 ASN 26 HD21 ASN 26 24.779 22.649 -7.697 183 HD22 ASN 26 HD22 ASN 26 26.110 22.048 -8.620 184 H VAL 27 H VAL 27 24.193 20.097 -6.049 185 HA VAL 27 HA VAL 27 21.649 21.408 -6.565 186 HB VAL 27 HB VAL 27 22.515 18.668 -7.487 187 HG11 VAL 27 HG11 VAL 27 20.560 20.576 -8.752 188 HG12 VAL 27 HG12 VAL 27 20.821 18.873 -9.134 189 HG13 VAL 27 HG13 VAL 27 20.084 19.330 -7.598 190 HG21 VAL 27 HG21 VAL 27 23.523 21.258 -8.250 191 HG22 VAL 27 HG22 VAL 27 24.054 19.655 -8.756 192 HG23 VAL 27 HG23 VAL 27 22.742 20.460 -9.615 193 H GLY 28 H GLY 28 19.771 20.941 -5.590 194 HA2 GLY 28 HA2 GLY 28 19.780 18.721 -3.644 195 HA3 GLY 28 HA3 GLY 28 18.824 20.188 -3.483 196 H SER 29 H SER 29 18.217 17.193 -3.657 197 HA SER 29 HA SER 29 16.083 17.454 -5.670 198 HB2 SER 29 HB2 SER 29 17.149 14.740 -5.072 199 HB3 SER 29 HB3 SER 29 16.500 15.389 -6.578 200 HG SER 29 HG SER 29 18.423 16.229 -7.069 201 H GLY 30 H GLY 30 14.092 16.527 -5.162 202 HA2 GLY 30 HA2 GLY 30 13.804 15.272 -2.531 203 HA3 GLY 30 HA3 GLY 30 12.916 16.759 -2.828 204 H MET 31 H MET 31 12.343 13.684 -2.519 205 HA MET 31 HA MET 31 10.333 13.631 -4.670 206 HB2 MET 31 HB2 MET 31 12.081 12.032 -5.218 207 HB3 MET 31 HB3 MET 31 11.957 11.307 -3.621 208 HG2 MET 31 HG2 MET 31 9.415 11.350 -5.017 209 HG3 MET 31 HG3 MET 31 10.663 10.479 -5.906 210 HE1 MET 31 HE1 MET 31 8.535 10.232 -2.290 211 HE2 MET 31 HE2 MET 31 7.930 10.306 -3.945 212 HE3 MET 31 HE3 MET 31 7.968 8.765 -3.087 213 H VAL 32 H VAL 32 8.297 13.313 -4.020 214 HA VAL 32 HA VAL 32 7.763 11.986 -1.476 215 HB VAL 32 HB VAL 32 6.325 13.732 -0.641 216 HG11 VAL 32 HG11 VAL 32 7.986 15.489 -0.185 217 HG12 VAL 32 HG12 VAL 32 8.662 13.869 -0.005 218 HG13 VAL 32 HG13 VAL 32 9.021 14.821 -1.446 219 HG21 VAL 32 HG21 VAL 32 5.330 14.947 -2.257 220 HG22 VAL 32 HG22 VAL 32 6.712 16.019 -2.032 221 HG23 VAL 32 HG23 VAL 32 6.717 14.838 -3.341 222 H GLY 33 H GLY 33 5.463 11.468 -1.188 223 HA2 GLY 33 HA2 GLY 33 3.516 11.834 -3.172 224 HA3 GLY 33 HA3 GLY 33 4.352 10.326 -3.508 225 H ALA 34 H ALA 34 2.145 9.459 -3.166 226 HA ALA 34 HA ALA 34 1.819 8.730 -0.346 227 HB1 ALA 34 HB1 ALA 34 -0.786 8.880 -1.311 228 HB2 ALA 34 HB2 ALA 34 -0.017 9.970 -0.156 229 HB3 ALA 34 HB3 ALA 34 -0.008 10.358 -1.876 230 HA PRO 35 HA PRO 35 1.360 4.651 -1.916 231 HB2 PRO 35 HB2 PRO 35 -0.128 3.537 0.063 232 HB3 PRO 35 HB3 PRO 35 1.583 3.936 0.256 233 HG2 PRO 35 HG2 PRO 35 -0.830 5.467 1.146 234 HG3 PRO 35 HG3 PRO 35 0.682 5.155 2.019 235 HD2 PRO 35 HD2 PRO 35 0.176 7.506 0.775 236 HD3 PRO 35 HD3 PRO 35 1.813 6.832 0.913 237 H ALA 36 H ALA 36 -1.667 5.940 -0.530 238 HA ALA 36 HA ALA 36 -3.283 4.357 -2.316 239 HB1 ALA 36 HB1 ALA 36 -4.794 4.662 -0.725 240 HB2 ALA 36 HB2 ALA 36 -3.688 5.746 0.120 241 HB3 ALA 36 HB3 ALA 36 -4.821 6.392 -1.067 242 H CYS 37 H CYS 37 -1.667 7.303 -2.539 243 HA CYS 37 HA CYS 37 -3.554 8.489 -4.415 244 HB2 CYS 37 HB2 CYS 37 -2.106 9.728 -2.609 245 HB3 CYS 37 HB3 CYS 37 -0.848 9.638 -3.836 246 HG CYS 37 HG CYS 37 -2.939 10.800 -5.699 247 H GLY 38 H GLY 38 -0.363 6.997 -4.368 248 HA2 GLY 38 HA2 GLY 38 0.843 6.028 -6.072 249 HA3 GLY 38 HA3 GLY 38 -0.564 6.231 -7.105 250 H ALA 39 H ALA 39 0.247 9.164 -5.733 251 HA ALA 39 HA ALA 39 1.426 10.060 -8.248 252 HB1 ALA 39 HB1 ALA 39 0.475 11.692 -5.897 253 HB2 ALA 39 HB2 ALA 39 0.934 12.304 -7.486 254 HB3 ALA 39 HB3 ALA 39 -0.496 11.286 -7.312 255 H VAL 40 H VAL 40 3.366 11.223 -8.370 256 HA VAL 40 HA VAL 40 5.063 11.224 -5.976 257 HB VAL 40 HB VAL 40 6.062 10.285 -8.663 258 HG11 VAL 40 HG11 VAL 40 7.816 9.352 -6.857 259 HG12 VAL 40 HG12 VAL 40 7.978 10.923 -7.645 260 HG13 VAL 40 HG13 VAL 40 7.283 10.814 -6.028 261 HG21 VAL 40 HG21 VAL 40 5.010 8.749 -6.316 262 HG22 VAL 40 HG22 VAL 40 4.650 8.544 -8.030 263 HG23 VAL 40 HG23 VAL 40 6.217 8.047 -7.393 264 H MET 41 H MET 41 5.729 13.235 -5.655 265 HA MET 41 HA MET 41 6.001 15.034 -7.955 266 HB2 MET 41 HB2 MET 41 5.808 15.613 -4.995 267 HB3 MET 41 HB3 MET 41 6.025 16.840 -6.235 268 HG2 MET 41 HG2 MET 41 3.731 14.981 -6.506 269 HG3 MET 41 HG3 MET 41 3.651 16.229 -5.264 270 HE1 MET 41 HE1 MET 41 2.270 18.725 -6.271 271 HE2 MET 41 HE2 MET 41 3.830 18.479 -5.486 272 HE3 MET 41 HE3 MET 41 3.719 19.479 -6.935 273 H LYS 42 H LYS 42 7.993 14.960 -8.788 274 HA LYS 42 HA LYS 42 10.280 14.991 -6.930 275 HB2 LYS 42 HB2 LYS 42 10.255 14.088 -9.815 276 HB3 LYS 42 HB3 LYS 42 11.608 13.982 -8.696 277 HG2 LYS 42 HG2 LYS 42 10.201 12.466 -7.282 278 HG3 LYS 42 HG3 LYS 42 9.021 12.453 -8.595 279 HD2 LYS 42 HD2 LYS 42 10.361 10.522 -8.884 280 HD3 LYS 42 HD3 LYS 42 10.894 11.681 -10.105 281 HE2 LYS 42 HE2 LYS 42 12.421 12.155 -7.776 282 HE3 LYS 42 HE3 LYS 42 12.408 10.412 -8.040 283 HZ1 LYS 42 HZ1 LYS 42 13.885 12.364 -9.402 284 HZ2 LYS 42 HZ2 LYS 42 12.816 11.658 -10.507 285 HZ3 LYS 42 HZ3 LYS 42 13.895 10.689 -9.636 286 H LEU 43 H LEU 43 11.335 16.850 -6.799 287 HA LEU 43 HA LEU 43 11.480 18.572 -9.177 288 HB2 LEU 43 HB2 LEU 43 10.543 19.243 -6.437 289 HB3 LEU 43 HB3 LEU 43 11.475 20.454 -7.314 290 HG LEU 43 HG LEU 43 9.804 20.380 -9.130 291 HD11 LEU 43 HD11 LEU 43 8.577 18.517 -9.245 292 HD12 LEU 43 HD12 LEU 43 7.565 19.275 -8.016 293 HD13 LEU 43 HD13 LEU 43 8.825 18.136 -7.541 294 HD21 LEU 43 HD21 LEU 43 8.415 20.885 -6.516 295 HD22 LEU 43 HD22 LEU 43 8.223 21.735 -8.049 296 HD23 LEU 43 HD23 LEU 43 9.703 21.934 -7.109 297 H GLN 44 H GLN 44 13.375 19.748 -9.425 298 HA GLN 44 HA GLN 44 15.562 18.969 -7.612 299 HB2 GLN 44 HB2 GLN 44 15.320 18.917 -10.489 300 HB3 GLN 44 HB3 GLN 44 16.673 19.931 -10.005 301 HG2 GLN 44 HG2 GLN 44 17.239 17.894 -8.457 302 HG3 GLN 44 HG3 GLN 44 16.258 17.012 -9.626 303 HE21 GLN 44 HE21 GLN 44 16.902 18.319 -11.950 304 HE22 GLN 44 HE22 GLN 44 18.568 18.051 -12.321 305 H ILE 45 H ILE 45 17.310 20.547 -7.358 306 HA ILE 45 HA ILE 45 16.672 23.317 -7.953 307 HB ILE 45 HB ILE 45 16.947 24.050 -5.615 308 HG12 ILE 45 HG12 ILE 45 16.553 21.183 -4.786 309 HG13 ILE 45 HG13 ILE 45 18.164 21.864 -4.987 310 HG21 ILE 45 HG21 ILE 45 14.711 23.673 -6.633 311 HG22 ILE 45 HG22 ILE 45 14.697 22.068 -5.906 312 HG23 ILE 45 HG23 ILE 45 14.730 23.500 -4.878 313 HD11 ILE 45 HD11 ILE 45 16.039 22.831 -3.090 314 HD12 ILE 45 HD12 ILE 45 17.506 21.944 -2.672 315 HD13 ILE 45 HD13 ILE 45 17.619 23.581 -3.318 316 H LYS 46 H LYS 46 18.450 24.783 -7.440 317 HA LYS 46 HA LYS 46 21.038 23.445 -7.071 318 HB2 LYS 46 HB2 LYS 46 20.084 24.615 -9.496 319 HB3 LYS 46 HB3 LYS 46 21.403 25.605 -8.886 320 HG2 LYS 46 HG2 LYS 46 21.953 22.741 -8.787 321 HG3 LYS 46 HG3 LYS 46 21.674 23.360 -10.416 322 HD2 LYS 46 HD2 LYS 46 23.326 25.208 -9.816 323 HD3 LYS 46 HD3 LYS 46 23.752 24.217 -8.419 324 HE2 LYS 46 HE2 LYS 46 25.312 23.543 -9.984 325 HE3 LYS 46 HE3 LYS 46 24.048 22.330 -10.179 326 HZ1 LYS 46 HZ1 LYS 46 23.357 24.369 -11.881 327 HZ2 LYS 46 HZ2 LYS 46 24.030 22.879 -12.314 328 HZ3 LYS 46 HZ3 LYS 46 25.032 24.218 -12.064 329 H VAL 47 H VAL 47 22.021 24.323 -5.384 330 HA VAL 47 HA VAL 47 21.440 27.119 -4.692 331 HB VAL 47 HB VAL 47 22.756 25.047 -2.937 332 HG11 VAL 47 HG11 VAL 47 23.277 27.042 -1.949 333 HG12 VAL 47 HG12 VAL 47 21.843 27.856 -2.577 334 HG13 VAL 47 HG13 VAL 47 21.702 26.743 -1.216 335 HG21 VAL 47 HG21 VAL 47 20.170 25.594 -2.001 336 HG22 VAL 47 HG22 VAL 47 20.005 25.282 -3.729 337 HG23 VAL 47 HG23 VAL 47 20.768 24.083 -2.686 338 H ASN 48 H ASN 48 23.096 28.579 -4.249 339 HA ASN 48 HA ASN 48 25.651 27.909 -5.508 340 HB2 ASN 48 HB2 ASN 48 24.958 30.668 -4.574 341 HB3 ASN 48 HB3 ASN 48 25.935 30.169 -5.951 342 HD21 ASN 48 HD21 ASN 48 23.190 31.650 -5.195 343 HD22 ASN 48 HD22 ASN 48 22.210 31.232 -6.556 344 H ASP 49 H ASP 49 27.349 29.697 -4.354 345 HA ASP 49 HA ASP 49 28.114 28.361 -1.980 346 HB2 ASP 49 HB2 ASP 49 29.176 30.466 -3.688 347 HB3 ASP 49 HB3 ASP 49 29.490 30.779 -1.983 348 H GLU 50 H GLU 50 26.660 31.542 -2.573 349 HA GLU 50 HA GLU 50 26.647 32.418 0.097 350 HB2 GLU 50 HB2 GLU 50 24.780 33.937 -0.693 351 HB3 GLU 50 HB3 GLU 50 26.290 34.044 -1.587 352 HG2 GLU 50 HG2 GLU 50 25.413 32.923 -3.437 353 HG3 GLU 50 HG3 GLU 50 24.046 32.294 -2.519 354 H GLY 51 H GLY 51 24.644 30.172 -1.602 355 HA2 GLY 51 HA2 GLY 51 23.295 28.586 -0.452 356 HA3 GLY 51 HA3 GLY 51 23.113 29.737 0.863 357 H ILE 52 H ILE 52 22.672 30.488 -2.543 358 HA ILE 52 HA ILE 52 19.801 30.887 -2.003 359 HB ILE 52 HB ILE 52 21.517 32.460 -3.927 360 HG12 ILE 52 HG12 ILE 52 22.120 33.050 -1.666 361 HG13 ILE 52 HG13 ILE 52 21.121 34.340 -2.327 362 HG21 ILE 52 HG21 ILE 52 19.347 33.952 -3.680 363 HG22 ILE 52 HG22 ILE 52 19.446 32.647 -4.861 364 HG23 ILE 52 HG23 ILE 52 18.609 32.389 -3.331 365 HD11 ILE 52 HD11 ILE 52 20.063 34.160 -0.361 366 HD12 ILE 52 HD12 ILE 52 19.237 32.816 -1.150 367 HD13 ILE 52 HD13 ILE 52 20.615 32.507 -0.094 368 H ILE 53 H ILE 53 18.325 30.315 -3.594 369 HA ILE 53 HA ILE 53 19.172 28.200 -5.344 370 HB ILE 53 HB ILE 53 16.463 29.498 -5.023 371 HG12 ILE 53 HG12 ILE 53 17.321 28.342 -3.003 372 HG13 ILE 53 HG13 ILE 53 15.903 27.551 -3.682 373 HG21 ILE 53 HG21 ILE 53 15.845 27.140 -6.035 374 HG22 ILE 53 HG22 ILE 53 16.228 28.514 -7.070 375 HG23 ILE 53 HG23 ILE 53 17.452 27.287 -6.745 376 HD11 ILE 53 HD11 ILE 53 18.346 26.463 -4.768 377 HD12 ILE 53 HD12 ILE 53 18.303 26.362 -3.008 378 HD13 ILE 53 HD13 ILE 53 17.003 25.651 -3.964 379 H GLU 54 H GLU 54 19.999 28.519 -7.292 380 HA GLU 54 HA GLU 54 19.258 30.952 -8.768 381 HB2 GLU 54 HB2 GLU 54 21.596 30.928 -8.487 382 HB3 GLU 54 HB3 GLU 54 21.705 29.206 -8.822 383 HG2 GLU 54 HG2 GLU 54 21.356 29.531 -11.131 384 HG3 GLU 54 HG3 GLU 54 20.848 31.202 -10.893 385 H ASP 55 H ASP 55 19.111 27.512 -8.795 386 HA ASP 55 HA ASP 55 17.677 27.613 -11.348 387 HB2 ASP 55 HB2 ASP 55 20.186 26.188 -10.808 388 HB3 ASP 55 HB3 ASP 55 18.926 25.174 -11.507 389 H ALA 56 H ALA 56 16.062 26.054 -11.596 390 HA ALA 56 HA ALA 56 15.608 24.155 -9.435 391 HB1 ALA 56 HB1 ALA 56 14.491 26.493 -9.012 392 HB2 ALA 56 HB2 ALA 56 13.289 25.881 -10.149 393 HB3 ALA 56 HB3 ALA 56 13.623 24.998 -8.660 394 H ARG 57 H ARG 57 14.950 22.282 -10.258 395 HA ARG 57 HA ARG 57 13.743 22.288 -12.944 396 HB2 ARG 57 HB2 ARG 57 15.939 20.834 -11.865 397 HB3 ARG 57 HB3 ARG 57 14.650 19.686 -12.202 398 HG2 ARG 57 HG2 ARG 57 15.494 19.658 -14.267 399 HG3 ARG 57 HG3 ARG 57 14.645 21.192 -14.468 400 HD2 ARG 57 HD2 ARG 57 17.501 20.897 -13.544 401 HD3 ARG 57 HD3 ARG 57 17.006 21.290 -15.190 402 HE ARG 57 HE ARG 57 17.041 23.057 -12.916 403 HH11 ARG 57 HH11 ARG 57 15.702 22.450 -16.072 404 HH12 ARG 57 HH12 ARG 57 15.309 24.111 -16.368 405 HH21 ARG 57 HH21 ARG 57 16.528 25.247 -13.294 406 HH22 ARG 57 HH22 ARG 57 15.779 25.701 -14.787 407 H PHE 58 H PHE 58 12.407 20.196 -13.312 408 HA PHE 58 HA PHE 58 10.984 19.222 -11.001 409 HB2 PHE 58 HB2 PHE 58 8.779 20.012 -11.702 410 HB3 PHE 58 HB3 PHE 58 9.854 21.374 -11.400 411 HD1 PHE 58 HD2 PHE 58 10.737 22.695 -13.266 412 HD2 PHE 58 HD1 PHE 58 7.925 19.560 -13.882 413 HE1 PHE 58 HE2 PHE 58 10.256 23.573 -15.513 414 HE2 PHE 58 HE1 PHE 58 7.440 20.433 -16.131 415 HZ PHE 58 HZ PHE 58 8.605 22.443 -16.949 416 H LYS 59 H LYS 59 9.987 17.289 -11.377 417 HA LYS 59 HA LYS 59 9.719 16.363 -14.142 418 HB2 LYS 59 HB2 LYS 59 11.224 14.893 -11.972 419 HB3 LYS 59 HB3 LYS 59 10.759 14.182 -13.512 420 HG2 LYS 59 HG2 LYS 59 12.309 15.383 -14.694 421 HG3 LYS 59 HG3 LYS 59 12.348 16.699 -13.518 422 HD2 LYS 59 HD2 LYS 59 13.230 14.389 -12.169 423 HD3 LYS 59 HD3 LYS 59 14.056 14.405 -13.729 424 HE2 LYS 59 HE2 LYS 59 14.003 16.623 -11.686 425 HE3 LYS 59 HE3 LYS 59 15.377 15.596 -12.092 426 HZ1 LYS 59 HZ1 LYS 59 14.992 16.532 -14.455 427 HZ2 LYS 59 HZ2 LYS 59 15.795 17.483 -13.310 428 HZ3 LYS 59 HZ3 LYS 59 14.164 17.772 -13.657 429 H THR 60 H THR 60 7.595 15.996 -14.247 430 HA THR 60 HA THR 60 6.069 15.091 -11.988 431 HB THR 60 HB THR 60 5.044 15.099 -14.814 432 HG1 THR 60 HG1 THR 60 4.957 17.405 -13.184 433 HG21 THR 60 HG21 THR 60 3.902 14.643 -12.288 434 HG22 THR 60 HG22 THR 60 3.064 14.823 -13.829 435 HG23 THR 60 HG23 THR 60 3.332 16.231 -12.801 436 H TYR 61 H TYR 61 5.077 13.107 -11.693 437 HA TYR 61 HA TYR 61 5.439 10.976 -13.609 438 HB2 TYR 61 HB2 TYR 61 7.589 11.142 -12.215 439 HB3 TYR 61 HB3 TYR 61 6.618 10.561 -10.867 440 HD1 TYR 61 HD1 TYR 61 7.774 9.690 -14.284 441 HD2 TYR 61 HD2 TYR 61 6.162 8.267 -10.613 442 HE1 TYR 61 HE1 TYR 61 8.142 7.375 -15.027 443 HE2 TYR 61 HE2 TYR 61 6.527 5.947 -11.345 444 HH TYR 61 HH TYR 61 8.422 4.925 -13.344 445 H GLY 62 H GLY 62 3.174 10.910 -13.574 446 HA2 GLY 62 HA2 GLY 62 2.032 9.109 -11.735 447 HA3 GLY 62 HA3 GLY 62 1.575 10.744 -11.281 448 H CYS 63 H CYS 63 -0.609 9.860 -11.707 449 HA CYS 63 HA CYS 63 -1.333 10.374 -14.496 450 HB2 CYS 63 HB2 CYS 63 -1.798 7.856 -12.976 451 HB3 CYS 63 HB3 CYS 63 -3.094 8.423 -14.022 452 HG CYS 63 HG CYS 63 -1.984 7.872 -16.322 453 H GLY 64 H GLY 64 -1.941 12.420 -13.460 454 HA2 GLY 64 HA2 GLY 64 -4.735 12.361 -12.712 455 HA3 GLY 64 HA3 GLY 64 -3.660 12.909 -11.434 456 H SER 65 H SER 65 -3.741 15.042 -11.273 457 HA SER 65 HA SER 65 -3.264 16.668 -13.633 458 HB2 SER 65 HB2 SER 65 -5.860 16.276 -12.993 459 HB3 SER 65 HB3 SER 65 -5.502 17.665 -11.967 460 HG SER 65 HG SER 65 -5.386 17.453 -14.774 461 H ALA 66 H ALA 66 -1.792 16.014 -11.219 462 HA ALA 66 HA ALA 66 -1.778 18.573 -9.782 463 HB1 ALA 66 HB1 ALA 66 -0.997 15.807 -9.087 464 HB2 ALA 66 HB2 ALA 66 -0.035 17.108 -8.385 465 HB3 ALA 66 HB3 ALA 66 -1.775 17.049 -8.106 466 H ILE 67 H ILE 67 -0.814 19.430 -11.868 467 HA ILE 67 HA ILE 67 2.102 19.002 -11.886 468 HB ILE 67 HB ILE 67 0.380 20.001 -14.158 469 HG12 ILE 67 HG12 ILE 67 1.587 17.634 -14.938 470 HG13 ILE 67 HG13 ILE 67 1.118 17.317 -13.271 471 HG21 ILE 67 HG21 ILE 67 2.499 19.570 -15.468 472 HG22 ILE 67 HG22 ILE 67 2.530 20.954 -14.377 473 HG23 ILE 67 HG23 ILE 67 3.326 19.450 -13.915 474 HD11 ILE 67 HD11 ILE 67 -0.794 16.677 -14.275 475 HD12 ILE 67 HD12 ILE 67 -1.154 18.400 -14.154 476 HD13 ILE 67 HD13 ILE 67 -0.547 17.730 -15.668 477 H ALA 68 H ALA 68 -0.480 21.316 -11.677 478 HA ALA 68 HA ALA 68 1.070 23.660 -12.092 479 HB1 ALA 68 HB1 ALA 68 -1.296 23.789 -12.372 480 HB2 ALA 68 HB2 ALA 68 -1.578 23.229 -10.723 481 HB3 ALA 68 HB3 ALA 68 -0.861 24.815 -11.004 482 H SER 69 H SER 69 -0.003 21.949 -9.169 483 HA SER 69 HA SER 69 0.973 23.695 -7.251 484 HB2 SER 69 HB2 SER 69 1.115 20.702 -6.923 485 HB3 SER 69 HB3 SER 69 0.777 21.924 -5.698 486 HG SER 69 HG SER 69 -1.182 21.128 -6.197 487 H SER 70 H SER 70 2.670 21.393 -9.246 488 HA SER 70 HA SER 70 5.129 21.616 -7.731 489 HB2 SER 70 HB2 SER 70 4.766 19.475 -8.701 490 HB3 SER 70 HB3 SER 70 4.383 20.172 -10.275 491 HG SER 70 HG SER 70 6.496 20.622 -10.603 492 H SER 71 H SER 71 3.916 22.625 -10.909 493 HA SER 71 HA SER 71 6.276 23.903 -11.765 494 HB2 SER 71 HB2 SER 71 3.420 24.527 -12.557 495 HB3 SER 71 HB3 SER 71 4.870 24.977 -13.454 496 HG SER 71 HG SER 71 3.554 22.566 -13.321 497 H LEU 72 H LEU 72 3.820 24.840 -9.545 498 HA LEU 72 HA LEU 72 4.367 27.667 -9.690 499 HB2 LEU 72 HB2 LEU 72 2.154 27.009 -9.097 500 HB3 LEU 72 HB3 LEU 72 2.748 25.979 -7.796 501 HG LEU 72 HG LEU 72 3.627 28.207 -6.784 502 HD11 LEU 72 HD11 LEU 72 3.036 30.129 -7.725 503 HD12 LEU 72 HD12 LEU 72 1.352 29.622 -7.858 504 HD13 LEU 72 HD13 LEU 72 2.503 29.199 -9.126 505 HD21 LEU 72 HD21 LEU 72 1.819 26.745 -5.890 506 HD22 LEU 72 HD22 LEU 72 0.659 27.678 -6.836 507 HD23 LEU 72 HD23 LEU 72 1.586 28.461 -5.555 508 H VAL 73 H VAL 73 4.944 25.093 -7.297 509 HA VAL 73 HA VAL 73 6.382 26.654 -5.465 510 HB VAL 73 HB VAL 73 7.333 24.485 -4.662 511 HG11 VAL 73 HG11 VAL 73 4.634 23.613 -4.751 512 HG12 VAL 73 HG12 VAL 73 5.481 24.436 -3.440 513 HG13 VAL 73 HG13 VAL 73 4.636 25.375 -4.671 514 HG21 VAL 73 HG21 VAL 73 6.497 22.409 -5.670 515 HG22 VAL 73 HG22 VAL 73 5.726 23.346 -6.949 516 HG23 VAL 73 HG23 VAL 73 7.483 23.335 -6.802 517 H THR 74 H THR 74 7.324 25.155 -8.455 518 HA THR 74 HA THR 74 10.134 25.195 -8.020 519 HB THR 74 HB THR 74 10.109 25.184 -10.649 520 HG1 THR 74 HG1 THR 74 7.498 24.196 -10.213 521 HG21 THR 74 HG21 THR 74 10.058 23.225 -8.676 522 HG22 THR 74 HG22 THR 74 10.486 22.999 -10.372 523 HG23 THR 74 HG23 THR 74 8.831 22.713 -9.835 524 H GLU 75 H GLU 75 7.945 27.347 -9.826 525 HA GLU 75 HA GLU 75 9.924 29.198 -10.596 526 HB2 GLU 75 HB2 GLU 75 6.943 29.544 -10.240 527 HB3 GLU 75 HB3 GLU 75 7.995 30.742 -10.982 528 HG2 GLU 75 HG2 GLU 75 7.636 27.933 -11.995 529 HG3 GLU 75 HG3 GLU 75 6.765 29.339 -12.606 530 H TRP 76 H TRP 76 8.317 28.663 -7.612 531 HA TRP 76 HA TRP 76 8.744 31.314 -6.565 532 HB2 TRP 76 HB2 TRP 76 7.404 28.872 -5.704 533 HB3 TRP 76 HB3 TRP 76 8.298 29.642 -4.396 534 HD1 TRP 76 HD1 TRP 76 4.955 29.535 -5.333 535 HE1 TRP 76 HE1 TRP 76 3.688 31.743 -4.955 536 HE3 TRP 76 HE3 TRP 76 8.947 32.703 -4.927 537 HZ2 TRP 76 HZ2 TRP 76 4.299 34.467 -4.540 538 HZ3 TRP 76 HZ3 TRP 76 8.519 35.095 -4.540 539 HH2 TRP 76 HH2 TRP 76 6.243 35.957 -4.352 540 H VAL 77 H VAL 77 10.200 28.110 -6.096 541 HA VAL 77 HA VAL 77 12.140 28.965 -4.212 542 HB VAL 77 HB VAL 77 13.280 26.825 -4.703 543 HG11 VAL 77 HG11 VAL 77 11.707 26.551 -3.044 544 HG12 VAL 77 HG12 VAL 77 10.356 26.937 -4.112 545 HG13 VAL 77 HG13 VAL 77 11.160 25.372 -4.235 546 HG21 VAL 77 HG21 VAL 77 12.398 25.280 -6.318 547 HG22 VAL 77 HG22 VAL 77 11.084 26.385 -6.724 548 HG23 VAL 77 HG23 VAL 77 12.748 26.805 -7.133 549 H LYS 78 H LYS 78 11.999 28.972 -7.685 550 HA LYS 78 HA LYS 78 14.742 29.159 -8.263 551 HB2 LYS 78 HB2 LYS 78 12.219 29.602 -9.678 552 HB3 LYS 78 HB3 LYS 78 13.516 30.654 -10.231 553 HG2 LYS 78 HG2 LYS 78 14.719 28.176 -10.070 554 HG3 LYS 78 HG3 LYS 78 13.100 27.820 -10.677 555 HD2 LYS 78 HD2 LYS 78 14.566 28.213 -12.545 556 HD3 LYS 78 HD3 LYS 78 13.429 29.557 -12.420 557 HE2 LYS 78 HE2 LYS 78 15.043 31.039 -11.751 558 HE3 LYS 78 HE3 LYS 78 16.047 29.784 -11.026 559 HZ1 LYS 78 HZ1 LYS 78 16.901 30.828 -13.139 560 HZ2 LYS 78 HZ2 LYS 78 15.666 30.008 -13.953 561 HZ3 LYS 78 HZ3 LYS 78 16.851 29.137 -13.118 562 H GLY 79 H GLY 79 15.824 30.570 -6.924 563 HA2 GLY 79 HA2 GLY 79 16.804 32.799 -7.086 564 HA3 GLY 79 HA3 GLY 79 15.180 33.422 -7.338 565 H LYS 80 H LYS 80 14.649 31.189 -5.102 566 HA LYS 80 HA LYS 80 14.814 33.136 -2.931 567 HB2 LYS 80 HB2 LYS 80 12.929 31.156 -3.693 568 HB3 LYS 80 HB3 LYS 80 13.575 30.684 -2.127 569 HG2 LYS 80 HG2 LYS 80 11.771 31.987 -1.541 570 HG3 LYS 80 HG3 LYS 80 13.103 33.144 -1.467 571 HD2 LYS 80 HD2 LYS 80 12.457 34.209 -3.420 572 HD3 LYS 80 HD3 LYS 80 11.553 32.809 -4.004 573 HE2 LYS 80 HE2 LYS 80 9.678 33.447 -2.958 574 HE3 LYS 80 HE3 LYS 80 10.541 33.882 -1.484 575 HZ1 LYS 80 HZ1 LYS 80 9.367 35.701 -2.884 576 HZ2 LYS 80 HZ2 LYS 80 10.755 35.617 -3.847 577 HZ3 LYS 80 HZ3 LYS 80 10.886 36.017 -2.208 578 H SER 81 H SER 81 15.444 32.371 -0.761 579 HA SER 81 HA SER 81 17.940 30.930 -0.918 580 HB2 SER 81 HB2 SER 81 18.252 31.584 1.396 581 HB3 SER 81 HB3 SER 81 17.660 32.974 0.487 582 HG SER 81 HG SER 81 16.646 32.200 2.655 583 H LEU 82 H LEU 82 18.144 29.629 1.459 584 HA LEU 82 HA LEU 82 16.659 27.226 0.932 585 HB2 LEU 82 HB2 LEU 82 18.467 27.804 3.268 586 HB3 LEU 82 HB3 LEU 82 17.986 26.225 2.652 587 HG LEU 82 HG LEU 82 19.474 28.012 0.808 588 HD11 LEU 82 HD11 LEU 82 21.186 26.389 2.554 589 HD12 LEU 82 HD12 LEU 82 20.469 27.806 3.321 590 HD13 LEU 82 HD13 LEU 82 21.452 27.992 1.868 591 HD21 LEU 82 HD21 LEU 82 20.543 25.780 0.295 592 HD22 LEU 82 HD22 LEU 82 18.820 25.912 -0.058 593 HD23 LEU 82 HD23 LEU 82 19.362 25.062 1.390 594 H ASP 83 H ASP 83 16.750 29.650 3.510 595 HA ASP 83 HA ASP 83 14.805 28.362 5.142 596 HB2 ASP 83 HB2 ASP 83 16.214 30.970 5.129 597 HB3 ASP 83 HB3 ASP 83 14.668 30.923 5.972 598 H GLU 84 H GLU 84 14.671 30.944 2.727 599 HA GLU 84 HA GLU 84 12.038 31.752 3.059 600 HB2 GLU 84 HB2 GLU 84 13.967 31.769 0.796 601 HB3 GLU 84 HB3 GLU 84 12.276 32.059 0.415 602 HG2 GLU 84 HG2 GLU 84 13.747 34.083 0.857 603 HG3 GLU 84 HG3 GLU 84 12.195 34.007 1.690 604 H ALA 85 H ALA 85 13.259 29.327 0.744 605 HA ALA 85 HA ALA 85 10.745 28.479 -0.163 606 HB1 ALA 85 HB1 ALA 85 12.096 26.323 -0.720 607 HB2 ALA 85 HB2 ALA 85 12.476 27.836 -1.544 608 HB3 ALA 85 HB3 ALA 85 13.482 27.285 -0.204 609 H GLN 86 H GLN 86 12.802 27.270 2.455 610 HA GLN 86 HA GLN 86 11.164 25.062 3.127 611 HB2 GLN 86 HB2 GLN 86 13.624 25.577 3.785 612 HB3 GLN 86 HB3 GLN 86 12.910 26.476 5.117 613 HG2 GLN 86 HG2 GLN 86 11.698 23.889 4.937 614 HG3 GLN 86 HG3 GLN 86 13.453 23.731 4.981 615 HE21 GLN 86 HE21 GLN 86 10.675 25.096 6.641 616 HE22 GLN 86 HE22 GLN 86 11.403 25.154 8.206 617 H ALA 87 H ALA 87 10.854 28.416 3.677 618 HA ALA 87 HA ALA 87 9.209 28.192 6.038 619 HB1 ALA 87 HB1 ALA 87 8.785 30.719 5.057 620 HB2 ALA 87 HB2 ALA 87 10.042 30.258 6.206 621 HB3 ALA 87 HB3 ALA 87 10.411 30.345 4.483 622 H ILE 88 H ILE 88 8.750 28.076 2.636 623 HA ILE 88 HA ILE 88 6.202 29.053 2.264 624 HB ILE 88 HB ILE 88 7.402 26.587 0.999 625 HG12 ILE 88 HG12 ILE 88 7.306 29.439 -0.005 626 HG13 ILE 88 HG13 ILE 88 8.716 28.692 0.739 627 HG21 ILE 88 HG21 ILE 88 5.801 26.988 -0.820 628 HG22 ILE 88 HG22 ILE 88 4.995 26.629 0.706 629 HG23 ILE 88 HG23 ILE 88 5.075 28.291 0.121 630 HD11 ILE 88 HD11 ILE 88 7.388 27.725 -1.780 631 HD12 ILE 88 HD12 ILE 88 8.827 28.742 -1.714 632 HD13 ILE 88 HD13 ILE 88 8.874 27.104 -1.062 633 H LYS 89 H LYS 89 4.153 28.349 2.620 634 HA LYS 89 HA LYS 89 3.866 25.883 4.207 635 HB2 LYS 89 HB2 LYS 89 2.206 28.409 4.229 636 HB3 LYS 89 HB3 LYS 89 1.792 26.945 5.113 637 HG2 LYS 89 HG2 LYS 89 2.841 28.065 6.774 638 HG3 LYS 89 HG3 LYS 89 4.252 27.285 6.056 639 HD2 LYS 89 HD2 LYS 89 4.980 29.462 6.209 640 HD3 LYS 89 HD3 LYS 89 4.315 29.443 4.574 641 HE2 LYS 89 HE2 LYS 89 3.590 31.433 5.760 642 HE3 LYS 89 HE3 LYS 89 2.215 30.381 5.430 643 HZ1 LYS 89 HZ1 LYS 89 1.906 29.947 7.609 644 HZ2 LYS 89 HZ2 LYS 89 2.670 31.443 7.804 645 HZ3 LYS 89 HZ3 LYS 89 3.553 30.013 7.990 646 H ASN 90 H ASN 90 2.340 24.390 3.647 647 HA ASN 90 HA ASN 90 1.613 24.029 1.027 648 HB2 ASN 90 HB2 ASN 90 -0.069 22.416 1.850 649 HB3 ASN 90 HB3 ASN 90 1.473 22.243 2.684 650 HD21 ASN 90 HD21 ASN 90 -1.854 23.085 2.963 651 HD22 ASN 90 HD22 ASN 90 -1.890 23.251 4.683 652 H THR 91 H THR 91 -0.266 25.597 3.588 653 HA THR 91 HA THR 91 -2.667 25.997 2.312 654 HB THR 91 HB THR 91 -2.423 26.649 4.610 655 HG1 THR 91 HG1 THR 91 -2.809 29.096 3.229 656 HG21 THR 91 HG21 THR 91 -0.064 27.375 4.486 657 HG22 THR 91 HG22 THR 91 -1.084 28.547 5.321 658 HG23 THR 91 HG23 THR 91 -0.579 28.844 3.658 659 H ASP 92 H ASP 92 0.351 27.744 1.881 660 HA ASP 92 HA ASP 92 -0.708 29.864 0.323 661 HB2 ASP 92 HB2 ASP 92 1.635 29.555 1.517 662 HB3 ASP 92 HB3 ASP 92 2.104 28.933 -0.063 663 H ILE 93 H ILE 93 0.609 26.692 -0.465 664 HA ILE 93 HA ILE 93 0.517 27.130 -3.303 665 HB ILE 93 HB ILE 93 0.870 24.589 -1.711 666 HG12 ILE 93 HG12 ILE 93 3.241 24.920 -2.797 667 HG13 ILE 93 HG13 ILE 93 2.737 26.603 -2.908 668 HG21 ILE 93 HG21 ILE 93 0.065 23.835 -3.757 669 HG22 ILE 93 HG22 ILE 93 0.869 25.119 -4.658 670 HG23 ILE 93 HG23 ILE 93 1.814 23.796 -3.976 671 HD11 ILE 93 HD11 ILE 93 2.948 26.942 -0.702 672 HD12 ILE 93 HD12 ILE 93 2.339 25.339 -0.288 673 HD13 ILE 93 HD13 ILE 93 4.015 25.542 -0.796 674 H ALA 94 H ALA 94 -1.659 25.966 -0.876 675 HA ALA 94 HA ALA 94 -3.407 24.517 -2.592 676 HB1 ALA 94 HB1 ALA 94 -4.677 24.130 -0.740 677 HB2 ALA 94 HB2 ALA 94 -3.155 24.562 0.042 678 HB3 ALA 94 HB3 ALA 94 -4.443 25.758 -0.102 679 H GLU 95 H GLU 95 -3.638 27.757 -1.120 680 HA GLU 95 HA GLU 95 -5.989 28.442 -2.595 681 HB2 GLU 95 HB2 GLU 95 -4.097 30.343 -1.211 682 HB3 GLU 95 HB3 GLU 95 -5.792 30.610 -1.593 683 HG2 GLU 95 HG2 GLU 95 -4.745 28.577 0.364 684 HG3 GLU 95 HG3 GLU 95 -5.429 30.147 0.782 685 H GLU 96 H GLU 96 -2.570 28.727 -3.124 686 HA GLU 96 HA GLU 96 -2.401 30.794 -4.942 687 HB2 GLU 96 HB2 GLU 96 -0.818 28.436 -4.279 688 HB3 GLU 96 HB3 GLU 96 -0.669 28.891 -5.970 689 HG2 GLU 96 HG2 GLU 96 -0.382 30.966 -3.847 690 HG3 GLU 96 HG3 GLU 96 0.957 29.877 -4.203 691 H LEU 97 H LEU 97 -3.204 27.393 -5.569 692 HA LEU 97 HA LEU 97 -4.087 28.175 -8.268 693 HB2 LEU 97 HB2 LEU 97 -3.330 25.437 -7.262 694 HB3 LEU 97 HB3 LEU 97 -3.786 25.851 -8.913 695 HG LEU 97 HG LEU 97 -1.401 27.145 -7.651 696 HD11 LEU 97 HD11 LEU 97 -0.023 25.319 -8.625 697 HD12 LEU 97 HD12 LEU 97 -1.504 24.396 -8.881 698 HD13 LEU 97 HD13 LEU 97 -1.001 24.819 -7.244 699 HD21 LEU 97 HD21 LEU 97 -2.138 28.040 -9.756 700 HD22 LEU 97 HD22 LEU 97 -2.200 26.428 -10.469 701 HD23 LEU 97 HD23 LEU 97 -0.647 27.133 -10.016 702 H GLU 98 H GLU 98 -5.255 27.564 -5.268 703 HA GLU 98 HA GLU 98 -7.262 26.924 -4.397 704 HB2 GLU 98 HB2 GLU 98 -8.189 27.779 -7.145 705 HB3 GLU 98 HB3 GLU 98 -9.246 27.511 -5.766 706 HG2 GLU 98 HG2 GLU 98 -7.566 29.263 -4.664 707 HG3 GLU 98 HG3 GLU 98 -7.417 29.755 -6.350 708 H LEU 99 H LEU 99 -6.068 24.707 -4.784 709 HA LEU 99 HA LEU 99 -6.976 22.928 -6.745 710 HB2 LEU 99 HB2 LEU 99 -5.457 22.797 -4.282 711 HB3 LEU 99 HB3 LEU 99 -6.476 21.376 -4.497 712 HG LEU 99 HG LEU 99 -5.423 21.107 -6.773 713 HD11 LEU 99 HD11 LEU 99 -3.737 22.418 -7.503 714 HD12 LEU 99 HD12 LEU 99 -3.113 22.713 -5.881 715 HD13 LEU 99 HD13 LEU 99 -4.516 23.609 -6.462 716 HD21 LEU 99 HD21 LEU 99 -4.282 19.552 -5.680 717 HD22 LEU 99 HD22 LEU 99 -4.438 20.461 -4.176 718 HD23 LEU 99 HD23 LEU 99 -3.070 20.760 -5.250 719 HA PRO 100 HA PRO 100 -11.053 21.823 -5.548 720 HB2 PRO 100 HB2 PRO 100 -11.133 19.222 -6.322 721 HB3 PRO 100 HB3 PRO 100 -11.145 20.567 -7.469 722 HG2 PRO 100 HG2 PRO 100 -8.861 18.836 -6.603 723 HG3 PRO 100 HG3 PRO 100 -9.282 19.401 -8.230 724 HD2 PRO 100 HD2 PRO 100 -7.341 20.562 -6.742 725 HD3 PRO 100 HD3 PRO 100 -8.340 21.476 -7.890 726 HA PRO 101 HA PRO 101 -11.008 19.946 -1.565 727 HB2 PRO 101 HB2 PRO 101 -13.573 19.072 -1.403 728 HB3 PRO 101 HB3 PRO 101 -13.131 20.780 -1.292 729 HG2 PRO 101 HG2 PRO 101 -14.178 19.243 -3.638 730 HG3 PRO 101 HG3 PRO 101 -14.625 20.863 -3.072 731 HD2 PRO 101 HD2 PRO 101 -12.933 20.461 -5.147 732 HD3 PRO 101 HD3 PRO 101 -12.787 21.850 -4.051 733 H VAL 102 H VAL 102 -11.603 18.141 -4.409 734 HA VAL 102 HA VAL 102 -12.233 15.610 -3.522 735 HB VAL 102 HB VAL 102 -10.931 14.757 -5.487 736 HG11 VAL 102 HG11 VAL 102 -12.472 17.039 -6.556 737 HG12 VAL 102 HG12 VAL 102 -12.614 15.313 -6.895 738 HG13 VAL 102 HG13 VAL 102 -13.315 15.985 -5.422 739 HG21 VAL 102 HG21 VAL 102 -10.128 16.609 -7.054 740 HG22 VAL 102 HG22 VAL 102 -10.139 17.651 -5.631 741 HG23 VAL 102 HG23 VAL 102 -9.107 16.221 -5.669 742 H LYS 103 H LYS 103 -9.037 17.136 -3.684 743 HA LYS 103 HA LYS 103 -8.078 15.469 -1.545 744 HB2 LYS 103 HB2 LYS 103 -6.127 14.605 -2.859 745 HB3 LYS 103 HB3 LYS 103 -7.676 13.912 -3.321 746 HG2 LYS 103 HG2 LYS 103 -7.259 16.193 -4.937 747 HG3 LYS 103 HG3 LYS 103 -5.764 15.255 -4.939 748 HD2 LYS 103 HD2 LYS 103 -8.507 14.137 -5.517 749 HD3 LYS 103 HD3 LYS 103 -7.325 14.598 -6.745 750 HE2 LYS 103 HE2 LYS 103 -6.791 12.562 -4.589 751 HE3 LYS 103 HE3 LYS 103 -7.396 12.149 -6.193 752 HZ1 LYS 103 HZ1 LYS 103 -5.214 11.956 -6.634 753 HZ2 LYS 103 HZ2 LYS 103 -4.737 12.976 -5.372 754 HZ3 LYS 103 HZ3 LYS 103 -5.287 13.634 -6.830 755 H ILE 104 H ILE 104 -8.156 17.851 -0.946 756 HA ILE 104 HA ILE 104 -6.502 19.802 -1.966 757 HB ILE 104 HB ILE 104 -7.140 19.318 0.947 758 HG12 ILE 104 HG12 ILE 104 -9.117 19.541 -0.550 759 HG13 ILE 104 HG13 ILE 104 -8.985 20.853 0.616 760 HG21 ILE 104 HG21 ILE 104 -5.643 20.947 1.282 761 HG22 ILE 104 HG22 ILE 104 -5.598 21.383 -0.425 762 HG23 ILE 104 HG23 ILE 104 -6.873 22.019 0.614 763 HD11 ILE 104 HD11 ILE 104 -8.200 22.354 -1.052 764 HD12 ILE 104 HD12 ILE 104 -8.034 21.049 -2.227 765 HD13 ILE 104 HD13 ILE 104 -9.636 21.548 -1.684 766 H HIS 105 H HIS 105 -5.651 16.973 -0.161 767 HA HIS 105 HA HIS 105 -3.201 17.680 0.927 768 HB2 HIS 105 HB2 HIS 105 -4.485 15.158 0.077 769 HB3 HIS 105 HB3 HIS 105 -2.728 15.111 0.192 770 HD1 HIS 105 HD1 HIS 105 -5.488 16.512 2.424 771 HD2 HIS 105 HD2 HIS 105 -2.024 14.227 2.634 772 HE1 HIS 105 HE1 HIS 105 -5.216 15.924 4.854 773 H CYS 106 H CYS 106 -4.088 17.209 -2.376 774 HA CYS 106 HA CYS 106 -1.614 16.585 -3.514 775 HB2 CYS 106 HB2 CYS 106 -4.195 17.594 -4.442 776 HB3 CYS 106 HB3 CYS 106 -2.844 18.196 -5.395 777 HG CYS 106 HG CYS 106 -2.478 14.964 -4.909 778 H SER 107 H SER 107 -2.717 19.474 -2.052 779 HA SER 107 HA SER 107 -0.764 21.160 -3.393 780 HB2 SER 107 HB2 SER 107 -2.169 22.245 -1.041 781 HB3 SER 107 HB3 SER 107 -1.989 22.921 -2.659 782 HG SER 107 HG SER 107 -4.147 22.379 -2.285 783 H ILE 108 H ILE 108 -1.200 19.480 -0.369 784 HA ILE 108 HA ILE 108 0.892 20.815 1.043 785 HB ILE 108 HB ILE 108 -0.374 18.124 1.572 786 HG12 ILE 108 HG12 ILE 108 -0.923 20.822 2.827 787 HG13 ILE 108 HG13 ILE 108 -1.944 20.049 1.619 788 HG21 ILE 108 HG21 ILE 108 1.317 17.870 3.007 789 HG22 ILE 108 HG22 ILE 108 1.822 19.551 2.842 790 HG23 ILE 108 HG23 ILE 108 0.533 19.123 3.967 791 HD11 ILE 108 HD11 ILE 108 -1.916 18.088 3.392 792 HD12 ILE 108 HD12 ILE 108 -1.595 19.429 4.491 793 HD13 ILE 108 HD13 ILE 108 -3.051 19.433 3.496 794 H LEU 109 H LEU 109 0.779 18.261 -1.263 795 HA LEU 109 HA LEU 109 3.293 17.072 -0.548 796 HB2 LEU 109 HB2 LEU 109 1.418 16.802 -2.869 797 HB3 LEU 109 HB3 LEU 109 3.015 16.057 -2.905 798 HG LEU 109 HG LEU 109 1.477 15.420 -0.500 799 HD11 LEU 109 HD11 LEU 109 -0.339 15.584 -2.187 800 HD12 LEU 109 HD12 LEU 109 -0.112 13.959 -1.540 801 HD13 LEU 109 HD13 LEU 109 0.497 14.362 -3.145 802 HD21 LEU 109 HD21 LEU 109 3.160 14.016 -2.530 803 HD22 LEU 109 HD22 LEU 109 2.137 13.083 -1.438 804 HD23 LEU 109 HD23 LEU 109 3.381 14.149 -0.785 805 H ALA 110 H ALA 110 2.250 19.713 -2.517 806 HA ALA 110 HA ALA 110 4.516 19.873 -4.221 807 HB1 ALA 110 HB1 ALA 110 3.326 21.472 -5.201 808 HB2 ALA 110 HB2 ALA 110 2.077 21.203 -3.985 809 HB3 ALA 110 HB3 ALA 110 3.306 22.442 -3.728 810 H GLU 111 H GLU 111 3.699 21.339 -1.107 811 HA GLU 111 HA GLU 111 6.144 22.865 -1.009 812 HB2 GLU 111 HB2 GLU 111 5.393 23.527 1.227 813 HB3 GLU 111 HB3 GLU 111 4.115 23.736 0.039 814 HG2 GLU 111 HG2 GLU 111 2.756 22.394 1.156 815 HG3 GLU 111 HG3 GLU 111 3.973 21.121 1.227 816 H ASP 112 H ASP 112 5.097 19.724 -0.077 817 HA ASP 112 HA ASP 112 7.126 19.299 1.917 818 HB2 ASP 112 HB2 ASP 112 5.163 17.486 0.523 819 HB3 ASP 112 HB3 ASP 112 6.384 16.861 1.628 820 H ALA 113 H ALA 113 6.857 18.946 -1.517 821 HA ALA 113 HA ALA 113 9.060 17.136 -1.820 822 HB1 ALA 113 HB1 ALA 113 7.920 18.930 -3.949 823 HB2 ALA 113 HB2 ALA 113 8.767 17.396 -4.152 824 HB3 ALA 113 HB3 ALA 113 7.151 17.423 -3.447 825 H ILE 114 H ILE 114 8.610 20.628 -2.335 826 HA ILE 114 HA ILE 114 11.163 21.252 -3.226 827 HB ILE 114 HB ILE 114 10.752 23.535 -2.313 828 HG12 ILE 114 HG12 ILE 114 8.242 22.230 -1.243 829 HG13 ILE 114 HG13 ILE 114 9.534 22.956 -0.294 830 HG21 ILE 114 HG21 ILE 114 9.206 24.078 -3.940 831 HG22 ILE 114 HG22 ILE 114 9.789 22.511 -4.499 832 HG23 ILE 114 HG23 ILE 114 8.244 22.627 -3.657 833 HD11 ILE 114 HD11 ILE 114 7.508 24.318 -2.031 834 HD12 ILE 114 HD12 ILE 114 7.798 24.524 -0.303 835 HD13 ILE 114 HD13 ILE 114 8.971 25.128 -1.472 836 H LYS 115 H LYS 115 9.951 20.889 0.068 837 HA LYS 115 HA LYS 115 12.250 21.827 1.402 838 HB2 LYS 115 HB2 LYS 115 10.243 21.668 2.657 839 HB3 LYS 115 HB3 LYS 115 10.019 19.977 2.226 840 HG2 LYS 115 HG2 LYS 115 10.733 20.184 4.528 841 HG3 LYS 115 HG3 LYS 115 11.976 19.379 3.568 842 HD2 LYS 115 HD2 LYS 115 12.583 22.096 3.406 843 HD3 LYS 115 HD3 LYS 115 12.121 21.832 5.089 844 HE2 LYS 115 HE2 LYS 115 13.891 19.784 3.948 845 HE3 LYS 115 HE3 LYS 115 14.603 21.391 4.078 846 HZ1 LYS 115 HZ1 LYS 115 14.319 19.520 6.090 847 HZ2 LYS 115 HZ2 LYS 115 13.200 20.737 6.448 848 HZ3 LYS 115 HZ3 LYS 115 14.835 21.124 6.251 849 H ALA 116 H ALA 116 11.293 18.616 0.283 850 HA ALA 116 HA ALA 116 13.322 17.118 1.479 851 HB1 ALA 116 HB1 ALA 116 11.662 16.738 -0.980 852 HB2 ALA 116 HB2 ALA 116 12.953 15.601 -0.586 853 HB3 ALA 116 HB3 ALA 116 11.623 15.852 0.545 854 H ALA 117 H ALA 117 13.429 19.323 -1.172 855 HA ALA 117 HA ALA 117 15.913 18.311 -2.247 856 HB1 ALA 117 HB1 ALA 117 15.073 21.020 -3.008 857 HB2 ALA 117 HB2 ALA 117 15.517 19.641 -4.015 858 HB3 ALA 117 HB3 ALA 117 13.893 19.751 -3.337 859 H ILE 118 H ILE 118 14.851 20.984 -0.205 860 HA ILE 118 HA ILE 118 17.333 22.331 -0.088 861 HB ILE 118 HB ILE 118 15.056 22.323 1.896 862 HG12 ILE 118 HG12 ILE 118 15.776 24.238 -0.334 863 HG13 ILE 118 HG13 ILE 118 14.411 23.127 -0.324 864 HG21 ILE 118 HG21 ILE 118 17.416 24.184 1.653 865 HG22 ILE 118 HG22 ILE 118 16.033 24.426 2.719 866 HG23 ILE 118 HG23 ILE 118 17.105 23.048 2.966 867 HD11 ILE 118 HD11 ILE 118 14.719 25.748 0.932 868 HD12 ILE 118 HD12 ILE 118 13.267 24.902 0.396 869 HD13 ILE 118 HD13 ILE 118 13.981 24.522 1.962 870 H ALA 119 H ALA 119 15.942 19.699 1.773 871 HA ALA 119 HA ALA 119 17.840 19.701 3.873 872 HB1 ALA 119 HB1 ALA 119 16.768 17.075 3.265 873 HB2 ALA 119 HB2 ALA 119 16.560 18.077 4.702 874 HB3 ALA 119 HB3 ALA 119 15.516 18.316 3.301 875 H ASP 120 H ASP 120 17.739 18.150 0.715 876 HA ASP 120 HA ASP 120 19.857 16.358 1.022 877 HB2 ASP 120 HB2 ASP 120 18.327 16.352 -0.912 878 HB3 ASP 120 HB3 ASP 120 19.043 17.859 -1.476 879 H TYR 121 H TYR 121 19.921 19.666 -0.305 880 HA TYR 121 HA TYR 121 22.612 19.894 -0.823 881 HB2 TYR 121 HB2 TYR 121 21.077 21.636 -1.473 882 HB3 TYR 121 HB3 TYR 121 20.693 21.990 0.208 883 HD1 TYR 121 HD1 TYR 121 23.809 21.687 -1.849 884 HD2 TYR 121 HD2 TYR 121 21.590 23.958 0.983 885 HE1 TYR 121 HE1 TYR 121 25.603 23.369 -1.800 886 HE2 TYR 121 HE2 TYR 121 23.377 25.647 1.039 887 HH TYR 121 HH TYR 121 26.146 25.415 0.431 888 H LYS 122 H LYS 122 20.954 20.672 2.229 889 HA LYS 122 HA LYS 122 23.154 21.490 3.704 890 HB2 LYS 122 HB2 LYS 122 20.735 19.959 4.679 891 HB3 LYS 122 HB3 LYS 122 21.850 20.857 5.701 892 HG2 LYS 122 HG2 LYS 122 21.231 22.916 4.433 893 HG3 LYS 122 HG3 LYS 122 19.988 21.967 3.614 894 HD2 LYS 122 HD2 LYS 122 18.934 21.475 5.755 895 HD3 LYS 122 HD3 LYS 122 20.199 22.373 6.598 896 HE2 LYS 122 HE2 LYS 122 18.792 23.832 4.457 897 HE3 LYS 122 HE3 LYS 122 17.822 23.428 5.873 898 HZ1 LYS 122 HZ1 LYS 122 19.784 25.443 5.581 899 HZ2 LYS 122 HZ2 LYS 122 20.232 24.391 6.827 900 HZ3 LYS 122 HZ3 LYS 122 18.729 25.165 6.874 901 H SER 123 H SER 123 22.036 18.250 2.949 902 HA SER 123 HA SER 123 23.940 16.990 4.719 903 HB2 SER 123 HB2 SER 123 21.549 16.182 3.661 904 HB3 SER 123 HB3 SER 123 22.697 15.327 2.631 905 HG SER 123 HG SER 123 23.691 14.594 4.629 906 H LYS 124 H LYS 124 23.905 18.170 1.515 907 HA LYS 124 HA LYS 124 25.928 16.432 0.460 908 HB2 LYS 124 HB2 LYS 124 24.714 19.022 -0.486 909 HB3 LYS 124 HB3 LYS 124 26.033 18.242 -1.349 910 HG2 LYS 124 HG2 LYS 124 23.422 16.884 -0.733 911 HG3 LYS 124 HG3 LYS 124 23.743 17.761 -2.231 912 HD2 LYS 124 HD2 LYS 124 25.710 16.260 -2.593 913 HD3 LYS 124 HD3 LYS 124 25.183 15.321 -1.194 914 HE2 LYS 124 HE2 LYS 124 22.937 15.129 -2.412 915 HE3 LYS 124 HE3 LYS 124 23.809 15.686 -3.839 916 HZ1 LYS 124 HZ1 LYS 124 23.710 13.274 -3.742 917 HZ2 LYS 124 HZ2 LYS 124 24.484 13.277 -2.238 918 HZ3 LYS 124 HZ3 LYS 124 25.310 13.809 -3.615 919 H ARG 125 H ARG 125 25.876 19.386 2.269 920 HA ARG 125 HA ARG 125 28.761 19.747 1.843 921 HB2 ARG 125 HB2 ARG 125 28.448 21.995 2.783 922 HB3 ARG 125 HB3 ARG 125 27.408 21.726 1.390 923 HG2 ARG 125 HG2 ARG 125 25.572 22.106 2.578 924 HG3 ARG 125 HG3 ARG 125 26.088 21.008 3.860 925 HD2 ARG 125 HD2 ARG 125 25.959 23.066 4.936 926 HD3 ARG 125 HD3 ARG 125 27.673 22.912 4.556 927 HE ARG 125 HE ARG 125 26.571 24.253 2.428 928 HH11 ARG 125 HH11 ARG 125 26.798 24.753 5.866 929 HH12 ARG 125 HH12 ARG 125 26.788 26.481 5.747 930 HH21 ARG 125 HH21 ARG 125 26.557 26.528 2.258 931 HH22 ARG 125 HH22 ARG 125 26.650 27.490 3.694 932 H GLU 126 H GLU 126 26.597 18.398 3.987 933 HA GLU 126 HA GLU 126 27.988 19.061 6.427 934 HB2 GLU 126 HB2 GLU 126 25.509 17.754 5.690 935 HB3 GLU 126 HB3 GLU 126 26.375 16.828 6.908 936 HG2 GLU 126 HG2 GLU 126 26.561 19.390 7.861 937 HG3 GLU 126 HG3 GLU 126 24.954 19.357 7.137 938 H ALA 127 H ALA 127 27.661 16.210 4.341 939 HA ALA 127 HA ALA 127 30.095 15.124 5.598 940 HB1 ALA 127 HB1 ALA 127 29.035 13.267 6.182 941 HB2 ALA 127 HB2 ALA 127 27.521 13.974 5.616 942 HB3 ALA 127 HB3 ALA 127 28.509 13.010 4.518 943 H LYS 128 H LYS 128 31.593 15.574 4.080 944 HA LYS 128 HA LYS 128 31.386 14.195 1.540 945 HB2 LYS 128 HB2 LYS 128 30.365 16.331 0.988 946 HB3 LYS 128 HB3 LYS 128 31.727 17.195 1.688 947 HG2 LYS 128 HG2 LYS 128 32.817 15.459 -0.223 948 HG3 LYS 128 HG3 LYS 128 31.390 16.183 -0.968 949 HD2 LYS 128 HD2 LYS 128 32.295 18.417 -0.129 950 HD3 LYS 128 HD3 LYS 128 33.807 17.558 0.177 951 HE2 LYS 128 HE2 LYS 128 34.147 17.113 -2.091 952 HE3 LYS 128 HE3 LYS 128 32.460 17.424 -2.499 953 HZ1 LYS 128 HZ1 LYS 128 33.007 19.799 -1.698 954 HZ2 LYS 128 HZ2 LYS 128 33.514 19.315 -3.237 955 HZ3 LYS 128 HZ3 LYS 128 34.618 19.351 -1.956 Start of MODEL 4 1 H1 MET 1 H MET 1 -18.084 45.204 -1.115 2 HA MET 1 HA MET 1 -18.444 46.038 -3.443 3 HB2 MET 1 HB2 MET 1 -16.028 47.368 -2.714 4 HB3 MET 1 HB3 MET 1 -15.698 46.362 -4.118 5 HG2 MET 1 HG2 MET 1 -16.328 48.545 -4.856 6 HG3 MET 1 HG3 MET 1 -17.610 47.411 -5.272 7 HE1 MET 1 HE1 MET 1 -19.497 49.734 -5.489 8 HE2 MET 1 HE2 MET 1 -19.708 47.998 -5.258 9 HE3 MET 1 HE3 MET 1 -20.584 49.138 -4.234 10 H ALA 2 H ALA 2 -17.345 44.940 -5.416 11 HA ALA 2 HA ALA 2 -16.792 42.178 -4.621 12 HB1 ALA 2 HB1 ALA 2 -18.623 42.463 -6.166 13 HB2 ALA 2 HB2 ALA 2 -17.584 43.345 -7.286 14 HB3 ALA 2 HB3 ALA 2 -17.295 41.633 -6.978 15 H TYR 3 H TYR 3 -15.117 40.962 -5.677 16 HA TYR 3 HA TYR 3 -12.804 42.641 -6.362 17 HB2 TYR 3 HB2 TYR 3 -13.045 40.595 -4.513 18 HB3 TYR 3 HB3 TYR 3 -12.250 39.816 -5.877 19 HD1 TYR 3 HD1 TYR 3 -12.012 42.859 -3.731 20 HD2 TYR 3 HD2 TYR 3 -9.947 39.996 -6.105 21 HE1 TYR 3 HE1 TYR 3 -9.866 43.832 -3.026 22 HE2 TYR 3 HE2 TYR 3 -7.795 40.959 -5.405 23 HH TYR 3 HH TYR 3 -7.639 43.889 -3.460 24 H SER 4 H SER 4 -11.271 41.721 -7.957 25 HA SER 4 HA SER 4 -12.726 40.857 -10.303 26 HB2 SER 4 HB2 SER 4 -10.642 41.264 -11.504 27 HB3 SER 4 HB3 SER 4 -10.998 42.630 -10.446 28 HG SER 4 HG SER 4 -9.460 41.892 -9.009 29 H GLU 5 H GLU 5 -12.424 38.957 -11.434 30 HA GLU 5 HA GLU 5 -10.882 36.867 -10.042 31 HB2 GLU 5 HB2 GLU 5 -13.653 36.863 -11.110 32 HB3 GLU 5 HB3 GLU 5 -12.712 35.395 -11.333 33 HG2 GLU 5 HG2 GLU 5 -12.256 35.424 -8.870 34 HG3 GLU 5 HG3 GLU 5 -13.422 36.740 -8.742 35 H LYS 6 H LYS 6 -9.694 35.446 -11.277 36 HA LYS 6 HA LYS 6 -9.763 35.716 -14.184 37 HB2 LYS 6 HB2 LYS 6 -7.780 36.946 -12.565 38 HB3 LYS 6 HB3 LYS 6 -7.017 35.593 -13.390 39 HG2 LYS 6 HG2 LYS 6 -8.438 36.752 -15.409 40 HG3 LYS 6 HG3 LYS 6 -7.961 38.149 -14.441 41 HD2 LYS 6 HD2 LYS 6 -5.757 37.888 -14.911 42 HD3 LYS 6 HD3 LYS 6 -5.866 36.126 -14.954 43 HE2 LYS 6 HE2 LYS 6 -5.358 37.011 -17.162 44 HE3 LYS 6 HE3 LYS 6 -6.949 36.252 -17.147 45 HZ1 LYS 6 HZ1 LYS 6 -6.783 39.131 -16.634 46 HZ2 LYS 6 HZ2 LYS 6 -8.004 38.240 -17.394 47 HZ3 LYS 6 HZ3 LYS 6 -6.574 38.593 -18.225 48 H VAL 7 H VAL 7 -10.038 33.712 -14.894 49 HA VAL 7 HA VAL 7 -8.295 31.595 -13.881 50 HB VAL 7 HB VAL 7 -10.348 31.354 -12.580 51 HG11 VAL 7 HG11 VAL 7 -11.696 31.193 -15.271 52 HG12 VAL 7 HG12 VAL 7 -12.464 30.760 -13.742 53 HG13 VAL 7 HG13 VAL 7 -11.939 32.420 -14.028 54 HG21 VAL 7 HG21 VAL 7 -10.498 29.079 -12.803 55 HG22 VAL 7 HG22 VAL 7 -10.535 29.142 -14.566 56 HG23 VAL 7 HG23 VAL 7 -9.013 29.382 -13.707 57 H ILE 8 H ILE 8 -7.835 29.982 -15.363 58 HA ILE 8 HA ILE 8 -9.221 29.607 -17.799 59 HB ILE 8 HB ILE 8 -8.177 31.810 -18.297 60 HG12 ILE 8 HG12 ILE 8 -6.938 29.638 -19.984 61 HG13 ILE 8 HG13 ILE 8 -8.663 29.987 -20.018 62 HG21 ILE 8 HG21 ILE 8 -6.037 30.955 -16.942 63 HG22 ILE 8 HG22 ILE 8 -5.508 30.574 -18.580 64 HG23 ILE 8 HG23 ILE 8 -5.955 32.227 -18.161 65 HD11 ILE 8 HD11 ILE 8 -7.815 31.176 -21.817 66 HD12 ILE 8 HD12 ILE 8 -7.952 32.394 -20.548 67 HD13 ILE 8 HD13 ILE 8 -6.381 31.689 -20.928 68 H ASP 9 H ASP 9 -8.581 27.755 -18.812 69 HA ASP 9 HA ASP 9 -6.214 26.402 -17.689 70 HB2 ASP 9 HB2 ASP 9 -7.341 24.299 -17.921 71 HB3 ASP 9 HB3 ASP 9 -8.437 25.396 -17.085 72 H HIS 10 H HIS 10 -5.594 24.480 -19.258 73 HA HIS 10 HA HIS 10 -5.942 24.882 -22.043 74 HB2 HIS 10 HB2 HIS 10 -3.532 25.507 -22.510 75 HB3 HIS 10 HB3 HIS 10 -4.533 26.790 -21.838 76 HD1 HIS 10 HD1 HIS 10 -1.710 24.482 -20.945 77 HD2 HIS 10 HD2 HIS 10 -3.756 27.723 -19.341 78 HE1 HIS 10 HE1 HIS 10 -0.360 25.211 -18.952 79 H TYR 11 H TYR 11 -3.917 23.685 -23.202 80 HA TYR 11 HA TYR 11 -4.140 20.990 -22.441 81 HB2 TYR 11 HB2 TYR 11 -2.751 22.521 -24.510 82 HB3 TYR 11 HB3 TYR 11 -1.867 21.085 -24.006 83 HD1 TYR 11 HD2 TYR 11 -5.285 22.153 -25.061 84 HD2 TYR 11 HD1 TYR 11 -2.378 19.047 -24.985 85 HE1 TYR 11 HE2 TYR 11 -6.736 20.769 -26.485 86 HE2 TYR 11 HE1 TYR 11 -3.820 17.654 -26.410 87 HH TYR 11 HH TYR 11 -5.862 18.390 -28.238 88 H GLU 12 H GLU 12 -1.999 19.629 -22.247 89 HA GLU 12 HA GLU 12 -0.982 19.974 -19.705 90 HB2 GLU 12 HB2 GLU 12 -0.266 18.345 -22.054 91 HB3 GLU 12 HB3 GLU 12 1.041 18.603 -20.907 92 HG2 GLU 12 HG2 GLU 12 0.140 16.701 -20.053 93 HG3 GLU 12 HG3 GLU 12 -0.793 17.901 -19.162 94 H ASN 13 H ASN 13 1.118 20.276 -22.559 95 HA ASN 13 HA ASN 13 2.897 21.621 -23.003 96 HB2 ASN 13 HB2 ASN 13 1.305 23.567 -21.318 97 HB3 ASN 13 HB3 ASN 13 2.703 24.002 -22.297 98 HD21 ASN 13 HD21 ASN 13 2.479 24.255 -24.461 99 HD22 ASN 13 HD22 ASN 13 0.967 24.150 -25.291 100 HA PRO 14 HA PRO 14 4.717 20.587 -18.837 101 HB2 PRO 14 HB2 PRO 14 6.557 18.837 -19.799 102 HB3 PRO 14 HB3 PRO 14 4.913 18.358 -19.358 103 HG2 PRO 14 HG2 PRO 14 6.051 18.956 -22.062 104 HG3 PRO 14 HG3 PRO 14 4.964 17.644 -21.571 105 HD2 PRO 14 HD2 PRO 14 4.081 19.876 -22.822 106 HD3 PRO 14 HD3 PRO 14 3.099 18.996 -21.633 107 H ARG 15 H ARG 15 6.880 21.029 -18.088 108 HA ARG 15 HA ARG 15 8.037 23.309 -19.240 109 HB2 ARG 15 HB2 ARG 15 8.277 21.956 -16.842 110 HB3 ARG 15 HB3 ARG 15 9.865 21.757 -17.572 111 HG2 ARG 15 HG2 ARG 15 9.963 23.700 -16.233 112 HG3 ARG 15 HG3 ARG 15 9.908 24.244 -17.911 113 HD2 ARG 15 HD2 ARG 15 7.458 24.580 -17.660 114 HD3 ARG 15 HD3 ARG 15 7.618 24.174 -15.951 115 HE ARG 15 HE ARG 15 9.410 26.237 -16.526 116 HH11 ARG 15 HH11 ARG 15 5.976 25.685 -16.384 117 HH12 ARG 15 HH12 ARG 15 5.597 27.324 -15.972 118 HH21 ARG 15 HH21 ARG 15 8.925 28.399 -15.984 119 HH22 ARG 15 HH22 ARG 15 7.275 28.868 -15.745 120 H ASN 16 H ASN 16 10.737 23.020 -19.284 121 HA ASN 16 HA ASN 16 11.119 21.564 -21.772 122 HB2 ASN 16 HB2 ASN 16 11.935 23.971 -21.267 123 HB3 ASN 16 HB3 ASN 16 13.234 23.183 -20.376 124 HD21 ASN 16 HD21 ASN 16 14.989 23.360 -21.575 125 HD22 ASN 16 HD22 ASN 16 15.112 22.960 -23.252 126 H VAL 17 H VAL 17 11.083 20.544 -18.779 127 HA VAL 17 HA VAL 17 12.108 18.919 -17.549 128 HB VAL 17 HB VAL 17 12.898 17.953 -20.300 129 HG11 VAL 17 HG11 VAL 17 12.776 15.703 -18.933 130 HG12 VAL 17 HG12 VAL 17 14.253 16.668 -18.977 131 HG13 VAL 17 HG13 VAL 17 13.174 16.768 -17.585 132 HG21 VAL 17 HG21 VAL 17 10.430 17.729 -18.659 133 HG22 VAL 17 HG22 VAL 17 10.615 17.901 -20.404 134 HG23 VAL 17 HG23 VAL 17 10.909 16.341 -19.636 135 H GLY 18 H GLY 18 13.645 20.245 -16.520 136 HA2 GLY 18 HA2 GLY 18 16.228 20.695 -17.727 137 HA3 GLY 18 HA3 GLY 18 15.740 21.147 -16.100 138 H SER 19 H SER 19 15.898 19.607 -14.415 139 HA SER 19 HA SER 19 16.871 17.914 -13.247 140 HB2 SER 19 HB2 SER 19 15.655 16.567 -15.086 141 HB3 SER 19 HB3 SER 19 17.250 16.393 -15.819 142 HG SER 19 HG SER 19 17.849 15.647 -13.576 143 H PHE 20 H PHE 20 18.928 17.126 -12.675 144 HA PHE 20 HA PHE 20 21.183 17.465 -14.420 145 HB2 PHE 20 HB2 PHE 20 22.191 19.019 -12.459 146 HB3 PHE 20 HB3 PHE 20 21.432 19.666 -13.910 147 HD1 PHE 20 HD1 PHE 20 20.460 18.465 -10.513 148 HD2 PHE 20 HD2 PHE 20 19.841 21.291 -13.635 149 HE1 PHE 20 HE1 PHE 20 18.808 19.640 -9.117 150 HE2 PHE 20 HE2 PHE 20 18.190 22.471 -12.244 151 HZ PHE 20 HZ PHE 20 17.672 21.647 -9.982 152 H ASP 21 H ASP 21 20.947 15.156 -13.703 153 HA ASP 21 HA ASP 21 21.425 14.325 -11.074 154 HB2 ASP 21 HB2 ASP 21 22.063 12.162 -12.064 155 HB3 ASP 21 HB3 ASP 21 20.596 12.803 -12.798 156 H ASN 22 H ASN 22 23.530 15.701 -13.400 157 HA ASN 22 HA ASN 22 25.997 14.633 -12.808 158 HB2 ASN 22 HB2 ASN 22 25.052 17.287 -13.757 159 HB3 ASN 22 HB3 ASN 22 26.714 17.188 -13.184 160 HD21 ASN 22 HD21 ASN 22 28.225 16.300 -14.456 161 HD22 ASN 22 HD22 ASN 22 27.917 15.594 -16.002 162 H ASN 23 H ASN 23 26.874 14.295 -10.879 163 HA ASN 23 HA ASN 23 26.153 15.441 -8.477 164 HB2 ASN 23 HB2 ASN 23 28.491 13.917 -9.458 165 HB3 ASN 23 HB3 ASN 23 28.751 14.843 -7.983 166 HD21 ASN 23 HD21 ASN 23 28.535 11.917 -8.571 167 HD22 ASN 23 HD22 ASN 23 27.353 11.335 -7.453 168 H ASP 24 H ASP 24 26.030 17.595 -8.221 169 HA ASP 24 HA ASP 24 28.291 19.260 -9.062 170 HB2 ASP 24 HB2 ASP 24 25.618 19.662 -9.387 171 HB3 ASP 24 HB3 ASP 24 25.912 20.567 -7.905 172 H GLU 25 H GLU 25 27.073 17.733 -6.333 173 HA GLU 25 HA GLU 25 27.690 17.763 -4.142 174 HB2 GLU 25 HB2 GLU 25 29.724 19.880 -4.812 175 HB3 GLU 25 HB3 GLU 25 29.774 18.696 -3.513 176 HG2 GLU 25 HG2 GLU 25 29.852 16.941 -5.373 177 HG3 GLU 25 HG3 GLU 25 30.245 18.287 -6.441 178 H ASN 26 H ASN 26 25.975 19.944 -5.560 179 HA ASN 26 HA ASN 26 25.351 21.360 -3.124 180 HB2 ASN 26 HB2 ASN 26 25.422 23.503 -4.866 181 HB3 ASN 26 HB3 ASN 26 26.604 23.166 -3.604 182 HD21 ASN 26 HD21 ASN 26 25.851 22.615 -6.999 183 HD22 ASN 26 HD22 ASN 26 27.490 22.456 -7.523 184 H VAL 27 H VAL 27 24.173 19.526 -5.216 185 HA VAL 27 HA VAL 27 21.995 21.152 -6.278 186 HB VAL 27 HB VAL 27 22.516 18.197 -6.629 187 HG11 VAL 27 HG11 VAL 27 20.629 20.076 -8.046 188 HG12 VAL 27 HG12 VAL 27 20.946 18.406 -8.521 189 HG13 VAL 27 HG13 VAL 27 20.185 18.753 -6.967 190 HG21 VAL 27 HG21 VAL 27 24.186 18.854 -7.955 191 HG22 VAL 27 HG22 VAL 27 22.940 19.451 -9.052 192 HG23 VAL 27 HG23 VAL 27 23.684 20.544 -7.885 193 H GLY 28 H GLY 28 19.819 20.815 -5.787 194 HA2 GLY 28 HA2 GLY 28 19.364 19.345 -3.265 195 HA3 GLY 28 HA3 GLY 28 18.489 20.795 -3.734 196 H SER 29 H SER 29 18.436 17.443 -3.668 197 HA SER 29 HA SER 29 16.283 17.352 -5.679 198 HB2 SER 29 HB2 SER 29 17.688 14.887 -4.707 199 HB3 SER 29 HB3 SER 29 16.885 15.178 -6.250 200 HG SER 29 HG SER 29 18.612 16.561 -6.805 201 H GLY 30 H GLY 30 14.287 16.891 -5.007 202 HA2 GLY 30 HA2 GLY 30 13.889 15.364 -2.550 203 HA3 GLY 30 HA3 GLY 30 13.262 17.005 -2.570 204 H MET 31 H MET 31 12.132 14.100 -2.620 205 HA MET 31 HA MET 31 10.005 14.745 -4.533 206 HB2 MET 31 HB2 MET 31 10.054 12.692 -5.605 207 HB3 MET 31 HB3 MET 31 11.766 13.019 -5.377 208 HG2 MET 31 HG2 MET 31 11.629 11.635 -3.276 209 HG3 MET 31 HG3 MET 31 10.019 11.151 -3.807 210 HE1 MET 31 HE1 MET 31 10.547 8.416 -6.228 211 HE2 MET 31 HE2 MET 31 9.689 9.012 -4.807 212 HE3 MET 31 HE3 MET 31 9.651 9.933 -6.311 213 H VAL 32 H VAL 32 7.961 13.870 -4.027 214 HA VAL 32 HA VAL 32 7.694 12.456 -1.482 215 HB VAL 32 HB VAL 32 6.014 13.967 -0.626 216 HG11 VAL 32 HG11 VAL 32 7.420 16.002 -0.270 217 HG12 VAL 32 HG12 VAL 32 8.247 14.478 0.056 218 HG13 VAL 32 HG13 VAL 32 8.563 15.350 -1.444 219 HG21 VAL 32 HG21 VAL 32 5.074 14.704 -2.758 220 HG22 VAL 32 HG22 VAL 32 5.482 16.080 -1.733 221 HG23 VAL 32 HG23 VAL 32 6.532 15.643 -3.081 222 H GLY 33 H GLY 33 5.691 11.369 -1.215 223 HA2 GLY 33 HA2 GLY 33 3.767 11.433 -3.390 224 HA3 GLY 33 HA3 GLY 33 4.679 9.938 -3.241 225 H ALA 34 H ALA 34 2.346 9.206 -2.985 226 HA ALA 34 HA ALA 34 1.891 8.729 -0.178 227 HB1 ALA 34 HB1 ALA 34 0.490 10.457 0.084 228 HB2 ALA 34 HB2 ALA 34 0.294 10.687 -1.654 229 HB3 ALA 34 HB3 ALA 34 -0.657 9.462 -0.814 230 HA PRO 35 HA PRO 35 0.470 4.899 -1.809 231 HB2 PRO 35 HB2 PRO 35 -0.991 4.021 0.304 232 HB3 PRO 35 HB3 PRO 35 0.776 4.051 0.304 233 HG2 PRO 35 HG2 PRO 35 -1.152 6.000 1.507 234 HG3 PRO 35 HG3 PRO 35 0.348 5.344 2.189 235 HD2 PRO 35 HD2 PRO 35 0.210 7.806 1.069 236 HD3 PRO 35 HD3 PRO 35 1.675 6.805 0.999 237 H ALA 36 H ALA 36 -2.051 6.711 -0.046 238 HA ALA 36 HA ALA 36 -4.162 5.566 -1.623 239 HB1 ALA 36 HB1 ALA 36 -5.086 7.871 -0.267 240 HB2 ALA 36 HB2 ALA 36 -5.349 6.177 0.147 241 HB3 ALA 36 HB3 ALA 36 -3.958 7.039 0.803 242 H CYS 37 H CYS 37 -2.111 8.325 -1.853 243 HA CYS 37 HA CYS 37 -3.847 9.834 -3.585 244 HB2 CYS 37 HB2 CYS 37 -1.977 10.717 -2.009 245 HB3 CYS 37 HB3 CYS 37 -0.891 10.299 -3.328 246 HG CYS 37 HG CYS 37 -1.107 12.771 -4.094 247 H GLY 38 H GLY 38 -1.359 7.436 -3.939 248 HA2 GLY 38 HA2 GLY 38 -0.421 6.438 -5.785 249 HA3 GLY 38 HA3 GLY 38 -1.989 6.718 -6.527 250 H ALA 39 H ALA 39 0.827 8.707 -5.606 251 HA ALA 39 HA ALA 39 1.281 9.476 -8.339 252 HB1 ALA 39 HB1 ALA 39 -0.657 10.920 -7.435 253 HB2 ALA 39 HB2 ALA 39 0.598 11.745 -6.509 254 HB3 ALA 39 HB3 ALA 39 0.676 11.717 -8.271 255 H VAL 40 H VAL 40 3.079 11.139 -8.466 256 HA VAL 40 HA VAL 40 4.825 11.148 -6.122 257 HB VAL 40 HB VAL 40 5.838 10.253 -8.821 258 HG11 VAL 40 HG11 VAL 40 7.072 10.794 -6.175 259 HG12 VAL 40 HG12 VAL 40 7.708 9.448 -7.123 260 HG13 VAL 40 HG13 VAL 40 7.701 11.078 -7.797 261 HG21 VAL 40 HG21 VAL 40 4.374 8.539 -7.952 262 HG22 VAL 40 HG22 VAL 40 6.050 8.014 -7.795 263 HG23 VAL 40 HG23 VAL 40 5.175 8.605 -6.382 264 H MET 41 H MET 41 5.893 13.020 -5.886 265 HA MET 41 HA MET 41 6.018 14.840 -8.199 266 HB2 MET 41 HB2 MET 41 5.670 15.754 -5.348 267 HB3 MET 41 HB3 MET 41 5.496 16.704 -6.817 268 HG2 MET 41 HG2 MET 41 3.536 15.281 -7.412 269 HG3 MET 41 HG3 MET 41 3.667 14.538 -5.820 270 HE1 MET 41 HE1 MET 41 4.284 18.535 -6.443 271 HE2 MET 41 HE2 MET 41 3.410 17.779 -7.776 272 HE3 MET 41 HE3 MET 41 2.580 18.909 -6.704 273 H LYS 42 H LYS 42 8.099 14.849 -8.779 274 HA LYS 42 HA LYS 42 10.142 15.039 -6.668 275 HB2 LYS 42 HB2 LYS 42 10.065 13.159 -8.536 276 HB3 LYS 42 HB3 LYS 42 10.851 14.404 -9.497 277 HG2 LYS 42 HG2 LYS 42 12.140 14.255 -6.960 278 HG3 LYS 42 HG3 LYS 42 12.014 12.631 -7.641 279 HD2 LYS 42 HD2 LYS 42 12.836 14.713 -9.545 280 HD3 LYS 42 HD3 LYS 42 13.982 14.407 -8.238 281 HE2 LYS 42 HE2 LYS 42 14.342 12.222 -8.889 282 HE3 LYS 42 HE3 LYS 42 12.794 12.107 -9.725 283 HZ1 LYS 42 HZ1 LYS 42 15.087 12.391 -10.997 284 HZ2 LYS 42 HZ2 LYS 42 14.714 14.026 -10.781 285 HZ3 LYS 42 HZ3 LYS 42 13.634 13.014 -11.599 286 H LEU 43 H LEU 43 11.486 16.755 -6.582 287 HA LEU 43 HA LEU 43 11.423 18.685 -8.798 288 HB2 LEU 43 HB2 LEU 43 10.587 19.066 -6.020 289 HB3 LEU 43 HB3 LEU 43 11.729 20.278 -6.595 290 HG LEU 43 HG LEU 43 10.010 20.381 -8.620 291 HD11 LEU 43 HD11 LEU 43 8.346 19.467 -6.278 292 HD12 LEU 43 HD12 LEU 43 8.547 18.637 -7.821 293 HD13 LEU 43 HD13 LEU 43 7.708 20.187 -7.757 294 HD21 LEU 43 HD21 LEU 43 8.986 21.805 -6.261 295 HD22 LEU 43 HD22 LEU 43 9.528 22.427 -7.820 296 HD23 LEU 43 HD23 LEU 43 10.709 22.014 -6.576 297 H GLN 44 H GLN 44 13.328 19.743 -9.217 298 HA GLN 44 HA GLN 44 15.630 19.036 -7.522 299 HB2 GLN 44 HB2 GLN 44 15.176 18.258 -10.195 300 HB3 GLN 44 HB3 GLN 44 16.424 19.495 -10.248 301 HG2 GLN 44 HG2 GLN 44 17.620 17.524 -10.047 302 HG3 GLN 44 HG3 GLN 44 17.568 18.142 -8.396 303 HE21 GLN 44 HE21 GLN 44 17.837 15.397 -9.567 304 HE22 GLN 44 HE22 GLN 44 16.624 14.462 -8.767 305 H ILE 45 H ILE 45 16.938 20.668 -6.943 306 HA ILE 45 HA ILE 45 16.612 23.256 -8.310 307 HB ILE 45 HB ILE 45 16.950 24.369 -6.104 308 HG12 ILE 45 HG12 ILE 45 16.404 21.610 -4.989 309 HG13 ILE 45 HG13 ILE 45 17.970 22.412 -4.962 310 HG21 ILE 45 HG21 ILE 45 14.707 23.920 -7.213 311 HG22 ILE 45 HG22 ILE 45 14.512 22.617 -6.042 312 HG23 ILE 45 HG23 ILE 45 14.682 24.282 -5.487 313 HD11 ILE 45 HD11 ILE 45 15.810 24.000 -3.809 314 HD12 ILE 45 HD12 ILE 45 16.129 22.485 -2.964 315 HD13 ILE 45 HD13 ILE 45 17.427 23.657 -3.195 316 H LYS 46 H LYS 46 18.446 24.797 -7.646 317 HA LYS 46 HA LYS 46 20.975 23.341 -7.313 318 HB2 LYS 46 HB2 LYS 46 20.250 24.105 -9.759 319 HB3 LYS 46 HB3 LYS 46 20.912 25.638 -9.209 320 HG2 LYS 46 HG2 LYS 46 22.357 23.000 -9.329 321 HG3 LYS 46 HG3 LYS 46 22.598 24.389 -10.392 322 HD2 LYS 46 HD2 LYS 46 23.172 25.696 -8.279 323 HD3 LYS 46 HD3 LYS 46 23.270 24.129 -7.472 324 HE2 LYS 46 HE2 LYS 46 25.474 24.765 -8.169 325 HE3 LYS 46 HE3 LYS 46 24.936 23.423 -9.177 326 HZ1 LYS 46 HZ1 LYS 46 25.900 25.840 -10.044 327 HZ2 LYS 46 HZ2 LYS 46 24.235 25.932 -10.323 328 HZ3 LYS 46 HZ3 LYS 46 25.134 24.664 -10.989 329 H VAL 47 H VAL 47 22.043 24.143 -5.640 330 HA VAL 47 HA VAL 47 21.617 26.965 -4.911 331 HB VAL 47 HB VAL 47 22.598 24.723 -3.140 332 HG11 VAL 47 HG11 VAL 47 22.040 27.632 -2.686 333 HG12 VAL 47 HG12 VAL 47 21.942 26.468 -1.362 334 HG13 VAL 47 HG13 VAL 47 23.459 26.687 -2.235 335 HG21 VAL 47 HG21 VAL 47 20.222 24.501 -3.880 336 HG22 VAL 47 HG22 VAL 47 20.426 24.691 -2.138 337 HG23 VAL 47 HG23 VAL 47 19.896 26.058 -3.118 338 H ASN 48 H ASN 48 23.378 28.267 -4.377 339 HA ASN 48 HA ASN 48 25.933 27.335 -5.477 340 HB2 ASN 48 HB2 ASN 48 25.850 30.152 -4.789 341 HB3 ASN 48 HB3 ASN 48 26.169 29.391 -6.344 342 HD21 ASN 48 HD21 ASN 48 24.168 31.436 -4.761 343 HD22 ASN 48 HD22 ASN 48 22.763 31.305 -5.758 344 H ASP 49 H ASP 49 27.703 29.036 -4.311 345 HA ASP 49 HA ASP 49 28.114 27.814 -1.769 346 HB2 ASP 49 HB2 ASP 49 29.565 29.859 -3.404 347 HB3 ASP 49 HB3 ASP 49 29.999 29.650 -1.709 348 H GLU 50 H GLU 50 26.247 30.419 -2.732 349 HA GLU 50 HA GLU 50 26.557 31.927 -0.263 350 HB2 GLU 50 HB2 GLU 50 25.474 32.438 -2.915 351 HB3 GLU 50 HB3 GLU 50 24.391 32.988 -1.645 352 HG2 GLU 50 HG2 GLU 50 27.255 33.793 -2.073 353 HG3 GLU 50 HG3 GLU 50 25.817 34.795 -2.262 354 H GLY 51 H GLY 51 24.692 29.359 -1.449 355 HA2 GLY 51 HA2 GLY 51 23.138 28.085 -0.284 356 HA3 GLY 51 HA3 GLY 51 23.118 29.311 0.975 357 H ILE 52 H ILE 52 22.589 30.064 -2.398 358 HA ILE 52 HA ILE 52 19.741 30.529 -1.797 359 HB ILE 52 HB ILE 52 21.528 32.223 -3.545 360 HG12 ILE 52 HG12 ILE 52 21.961 32.623 -1.191 361 HG13 ILE 52 HG13 ILE 52 21.061 33.983 -1.854 362 HG21 ILE 52 HG21 ILE 52 18.608 32.018 -3.255 363 HG22 ILE 52 HG22 ILE 52 19.261 33.655 -3.220 364 HG23 ILE 52 HG23 ILE 52 19.578 32.610 -4.604 365 HD11 ILE 52 HD11 ILE 52 19.890 33.696 0.054 366 HD12 ILE 52 HD12 ILE 52 19.017 32.538 -0.950 367 HD13 ILE 52 HD13 ILE 52 20.267 31.977 0.160 368 H ILE 53 H ILE 53 18.253 30.013 -3.365 369 HA ILE 53 HA ILE 53 19.037 28.039 -5.272 370 HB ILE 53 HB ILE 53 16.379 29.432 -4.923 371 HG12 ILE 53 HG12 ILE 53 17.199 28.127 -2.952 372 HG13 ILE 53 HG13 ILE 53 15.712 27.495 -3.650 373 HG21 ILE 53 HG21 ILE 53 17.126 26.968 -6.490 374 HG22 ILE 53 HG22 ILE 53 15.475 27.492 -6.166 375 HG23 ILE 53 HG23 ILE 53 16.545 28.501 -7.139 376 HD11 ILE 53 HD11 ILE 53 18.392 26.385 -4.390 377 HD12 ILE 53 HD12 ILE 53 17.504 25.826 -2.973 378 HD13 ILE 53 HD13 ILE 53 16.800 25.652 -4.580 379 H GLU 54 H GLU 54 19.881 28.425 -7.201 380 HA GLU 54 HA GLU 54 19.289 30.985 -8.521 381 HB2 GLU 54 HB2 GLU 54 21.623 30.795 -8.220 382 HB3 GLU 54 HB3 GLU 54 21.630 29.103 -8.698 383 HG2 GLU 54 HG2 GLU 54 21.609 29.581 -10.919 384 HG3 GLU 54 HG3 GLU 54 20.728 31.092 -10.701 385 H ASP 55 H ASP 55 19.038 27.544 -8.807 386 HA ASP 55 HA ASP 55 17.615 27.895 -11.352 387 HB2 ASP 55 HB2 ASP 55 19.328 25.471 -10.888 388 HB3 ASP 55 HB3 ASP 55 18.703 26.109 -12.406 389 H ALA 56 H ALA 56 15.835 26.594 -11.645 390 HA ALA 56 HA ALA 56 15.227 24.589 -9.601 391 HB1 ALA 56 HB1 ALA 56 13.318 25.553 -8.826 392 HB2 ALA 56 HB2 ALA 56 14.229 27.015 -9.205 393 HB3 ALA 56 HB3 ALA 56 13.009 26.420 -10.331 394 H ARG 57 H ARG 57 14.799 22.781 -10.668 395 HA ARG 57 HA ARG 57 13.270 22.960 -13.182 396 HB2 ARG 57 HB2 ARG 57 15.448 20.991 -12.459 397 HB3 ARG 57 HB3 ARG 57 14.471 20.921 -13.920 398 HG2 ARG 57 HG2 ARG 57 16.388 23.112 -13.152 399 HG3 ARG 57 HG3 ARG 57 16.628 21.889 -14.401 400 HD2 ARG 57 HD2 ARG 57 14.284 22.918 -15.214 401 HD3 ARG 57 HD3 ARG 57 14.973 24.336 -14.425 402 HE ARG 57 HE ARG 57 15.775 23.208 -16.913 403 HH11 ARG 57 HH11 ARG 57 16.956 24.886 -14.101 404 HH12 ARG 57 HH12 ARG 57 18.298 25.601 -14.931 405 HH21 ARG 57 HH21 ARG 57 17.538 24.143 -18.017 406 HH22 ARG 57 HH22 ARG 57 18.628 25.179 -17.158 407 H PHE 58 H PHE 58 11.799 21.258 -13.625 408 HA PHE 58 HA PHE 58 11.111 19.569 -11.317 409 HB2 PHE 58 HB2 PHE 58 9.532 21.397 -11.310 410 HB3 PHE 58 HB3 PHE 58 9.210 21.182 -13.027 411 HD1 PHE 58 HD1 PHE 58 9.171 19.112 -9.919 412 HD2 PHE 58 HD2 PHE 58 7.237 20.159 -13.563 413 HE1 PHE 58 HE1 PHE 58 7.324 17.579 -9.375 414 HE2 PHE 58 HE2 PHE 58 5.387 18.629 -13.025 415 HZ PHE 58 HZ PHE 58 5.428 17.337 -10.929 416 H LYS 59 H LYS 59 10.141 17.572 -11.798 417 HA LYS 59 HA LYS 59 10.091 16.798 -14.631 418 HB2 LYS 59 HB2 LYS 59 11.451 15.281 -12.398 419 HB3 LYS 59 HB3 LYS 59 11.154 14.626 -14.003 420 HG2 LYS 59 HG2 LYS 59 12.818 15.824 -14.952 421 HG3 LYS 59 HG3 LYS 59 12.585 17.206 -13.879 422 HD2 LYS 59 HD2 LYS 59 13.544 14.766 -12.554 423 HD3 LYS 59 HD3 LYS 59 14.666 15.460 -13.728 424 HE2 LYS 59 HE2 LYS 59 15.223 16.501 -11.710 425 HE3 LYS 59 HE3 LYS 59 14.228 17.689 -12.551 426 HZ1 LYS 59 HZ1 LYS 59 12.591 16.004 -10.988 427 HZ2 LYS 59 HZ2 LYS 59 12.802 17.679 -10.876 428 HZ3 LYS 59 HZ3 LYS 59 13.823 16.639 -10.018 429 H THR 60 H THR 60 8.254 15.825 -15.163 430 HA THR 60 HA THR 60 6.290 15.203 -13.176 431 HB THR 60 HB THR 60 4.870 14.514 -15.058 432 HG1 THR 60 HG1 THR 60 5.871 13.785 -16.768 433 HG21 THR 60 HG21 THR 60 4.413 16.654 -15.549 434 HG22 THR 60 HG22 THR 60 6.003 16.916 -16.267 435 HG23 THR 60 HG23 THR 60 5.789 17.055 -14.522 436 H TYR 61 H TYR 61 5.437 13.203 -12.621 437 HA TYR 61 HA TYR 61 6.248 10.750 -13.774 438 HB2 TYR 61 HB2 TYR 61 8.351 11.500 -12.536 439 HB3 TYR 61 HB3 TYR 61 7.447 11.234 -11.049 440 HD1 TYR 61 HD1 TYR 61 6.778 8.963 -10.391 441 HD2 TYR 61 HD2 TYR 61 9.154 9.655 -13.853 442 HE1 TYR 61 HE1 TYR 61 7.387 6.580 -10.443 443 HE2 TYR 61 HE2 TYR 61 9.768 7.274 -13.914 444 HH TYR 61 HH TYR 61 9.262 5.179 -11.345 445 H GLY 62 H GLY 62 4.351 9.752 -13.587 446 HA2 GLY 62 HA2 GLY 62 3.296 8.520 -11.474 447 HA3 GLY 62 HA3 GLY 62 2.702 10.155 -11.220 448 H CYS 63 H CYS 63 0.554 9.352 -11.424 449 HA CYS 63 HA CYS 63 -0.210 8.519 -14.136 450 HB2 CYS 63 HB2 CYS 63 -0.908 6.993 -12.361 451 HB3 CYS 63 HB3 CYS 63 -1.727 8.308 -11.527 452 HG CYS 63 HG CYS 63 -3.893 7.208 -12.525 453 H GLY 64 H GLY 64 -0.675 10.979 -11.703 454 HA2 GLY 64 HA2 GLY 64 -1.210 13.146 -13.078 455 HA3 GLY 64 HA3 GLY 64 -2.728 12.297 -13.326 456 H SER 65 H SER 65 -1.568 14.741 -11.682 457 HA SER 65 HA SER 65 -3.519 14.474 -9.564 458 HB2 SER 65 HB2 SER 65 -0.604 14.269 -9.073 459 HB3 SER 65 HB3 SER 65 -1.497 15.334 -7.988 460 HG SER 65 HG SER 65 -1.363 13.083 -7.323 461 H ALA 66 H ALA 66 -0.732 16.425 -10.628 462 HA ALA 66 HA ALA 66 -2.326 18.699 -11.201 463 HB1 ALA 66 HB1 ALA 66 -1.941 18.456 -8.529 464 HB2 ALA 66 HB2 ALA 66 -0.556 19.451 -8.982 465 HB3 ALA 66 HB3 ALA 66 -2.191 19.988 -9.366 466 H ILE 67 H ILE 67 -1.191 20.258 -12.323 467 HA ILE 67 HA ILE 67 1.663 19.673 -12.771 468 HB ILE 67 HB ILE 67 1.306 20.797 -15.014 469 HG12 ILE 67 HG12 ILE 67 -1.553 20.077 -14.947 470 HG13 ILE 67 HG13 ILE 67 -1.124 21.494 -13.993 471 HG21 ILE 67 HG21 ILE 67 -0.367 18.328 -14.822 472 HG22 ILE 67 HG22 ILE 67 0.823 18.783 -16.040 473 HG23 ILE 67 HG23 ILE 67 1.354 18.265 -14.441 474 HD11 ILE 67 HD11 ILE 67 -1.412 21.216 -16.837 475 HD12 ILE 67 HD12 ILE 67 -1.254 22.674 -15.858 476 HD13 ILE 67 HD13 ILE 67 0.188 21.832 -16.424 477 H ALA 68 H ALA 68 -0.715 22.087 -12.039 478 HA ALA 68 HA ALA 68 1.026 24.337 -12.459 479 HB1 ALA 68 HB1 ALA 68 -1.493 24.385 -12.620 480 HB2 ALA 68 HB2 ALA 68 -1.520 24.319 -10.857 481 HB3 ALA 68 HB3 ALA 68 -0.756 25.681 -11.677 482 H SER 69 H SER 69 -0.058 22.424 -9.696 483 HA SER 69 HA SER 69 0.947 23.988 -7.629 484 HB2 SER 69 HB2 SER 69 0.493 21.029 -7.916 485 HB3 SER 69 HB3 SER 69 1.197 21.693 -6.442 486 HG SER 69 HG SER 69 -1.281 22.483 -7.581 487 H SER 70 H SER 70 2.586 21.855 -9.845 488 HA SER 70 HA SER 70 5.059 21.885 -8.339 489 HB2 SER 70 HB2 SER 70 5.833 20.797 -10.640 490 HB3 SER 70 HB3 SER 70 4.925 19.872 -9.444 491 HG SER 70 HG SER 70 3.922 19.590 -11.403 492 H SER 71 H SER 71 3.860 23.203 -11.410 493 HA SER 71 HA SER 71 6.238 24.529 -12.135 494 HB2 SER 71 HB2 SER 71 5.065 25.273 -13.945 495 HB3 SER 71 HB3 SER 71 3.914 24.048 -13.413 496 HG SER 71 HG SER 71 2.924 26.088 -13.779 497 H LEU 72 H LEU 72 3.780 25.282 -9.850 498 HA LEU 72 HA LEU 72 4.353 28.106 -9.738 499 HB2 LEU 72 HB2 LEU 72 2.143 27.550 -9.198 500 HB3 LEU 72 HB3 LEU 72 2.643 26.239 -8.132 501 HG LEU 72 HG LEU 72 3.434 28.988 -7.352 502 HD11 LEU 72 HD11 LEU 72 0.669 28.086 -6.688 503 HD12 LEU 72 HD12 LEU 72 0.971 28.938 -8.202 504 HD13 LEU 72 HD13 LEU 72 1.361 29.708 -6.664 505 HD21 LEU 72 HD21 LEU 72 4.071 27.614 -5.685 506 HD22 LEU 72 HD22 LEU 72 2.900 26.368 -6.119 507 HD23 LEU 72 HD23 LEU 72 2.389 27.772 -5.180 508 H VAL 73 H VAL 73 4.918 25.304 -7.619 509 HA VAL 73 HA VAL 73 6.347 26.686 -5.631 510 HB VAL 73 HB VAL 73 7.245 24.455 -4.993 511 HG11 VAL 73 HG11 VAL 73 5.219 24.994 -3.969 512 HG12 VAL 73 HG12 VAL 73 4.310 24.839 -5.473 513 HG13 VAL 73 HG13 VAL 73 4.929 23.400 -4.663 514 HG21 VAL 73 HG21 VAL 73 5.697 23.495 -7.398 515 HG22 VAL 73 HG22 VAL 73 7.454 23.517 -7.246 516 HG23 VAL 73 HG23 VAL 73 6.492 22.473 -6.201 517 H THR 74 H THR 74 7.285 25.454 -8.739 518 HA THR 74 HA THR 74 10.098 25.434 -8.276 519 HB THR 74 HB THR 74 10.070 25.621 -10.910 520 HG1 THR 74 HG1 THR 74 7.534 24.467 -10.633 521 HG21 THR 74 HG21 THR 74 10.224 23.336 -10.971 522 HG22 THR 74 HG22 THR 74 8.834 23.105 -9.911 523 HG23 THR 74 HG23 THR 74 10.387 23.592 -9.235 524 H GLU 75 H GLU 75 7.938 27.702 -9.974 525 HA GLU 75 HA GLU 75 9.932 29.598 -10.580 526 HB2 GLU 75 HB2 GLU 75 8.039 31.153 -10.962 527 HB3 GLU 75 HB3 GLU 75 7.831 29.606 -11.770 528 HG2 GLU 75 HG2 GLU 75 6.297 28.875 -10.049 529 HG3 GLU 75 HG3 GLU 75 6.553 30.373 -9.156 530 H TRP 76 H TRP 76 8.277 28.862 -7.671 531 HA TRP 76 HA TRP 76 8.636 31.441 -6.444 532 HB2 TRP 76 HB2 TRP 76 7.313 28.948 -5.790 533 HB3 TRP 76 HB3 TRP 76 8.234 29.554 -4.417 534 HD1 TRP 76 HD1 TRP 76 4.880 29.586 -5.269 535 HE1 TRP 76 HE1 TRP 76 3.650 31.759 -4.644 536 HE3 TRP 76 HE3 TRP 76 8.919 32.662 -4.670 537 HZ2 TRP 76 HZ2 TRP 76 4.305 34.424 -3.986 538 HZ3 TRP 76 HZ3 TRP 76 8.531 35.010 -4.042 539 HH2 TRP 76 HH2 TRP 76 6.271 35.871 -3.708 540 H VAL 77 H VAL 77 10.167 28.249 -6.151 541 HA VAL 77 HA VAL 77 12.076 29.042 -4.209 542 HB VAL 77 HB VAL 77 13.275 26.960 -4.833 543 HG11 VAL 77 HG11 VAL 77 10.387 27.025 -4.134 544 HG12 VAL 77 HG12 VAL 77 11.134 25.458 -4.450 545 HG13 VAL 77 HG13 VAL 77 11.771 26.499 -3.176 546 HG21 VAL 77 HG21 VAL 77 12.375 25.475 -6.506 547 HG22 VAL 77 HG22 VAL 77 11.059 26.599 -6.848 548 HG23 VAL 77 HG23 VAL 77 12.720 27.038 -7.247 549 H LYS 78 H LYS 78 11.976 29.188 -7.689 550 HA LYS 78 HA LYS 78 14.686 29.450 -8.279 551 HB2 LYS 78 HB2 LYS 78 12.154 30.023 -9.604 552 HB3 LYS 78 HB3 LYS 78 13.415 31.164 -10.054 553 HG2 LYS 78 HG2 LYS 78 14.679 28.714 -10.193 554 HG3 LYS 78 HG3 LYS 78 13.059 28.390 -10.814 555 HD2 LYS 78 HD2 LYS 78 14.515 30.810 -11.771 556 HD3 LYS 78 HD3 LYS 78 14.977 29.229 -12.406 557 HE2 LYS 78 HE2 LYS 78 13.372 29.948 -13.920 558 HE3 LYS 78 HE3 LYS 78 12.448 28.918 -12.828 559 HZ1 LYS 78 HZ1 LYS 78 11.749 31.411 -13.502 560 HZ2 LYS 78 HZ2 LYS 78 12.581 31.703 -12.059 561 HZ3 LYS 78 HZ3 LYS 78 11.260 30.645 -12.075 562 H GLY 79 H GLY 79 15.903 30.731 -6.972 563 HA2 GLY 79 HA2 GLY 79 16.929 32.861 -6.743 564 HA3 GLY 79 HA3 GLY 79 15.401 33.613 -7.177 565 H LYS 80 H LYS 80 15.215 31.059 -4.907 566 HA LYS 80 HA LYS 80 14.889 33.025 -2.736 567 HB2 LYS 80 HB2 LYS 80 13.072 31.120 -3.730 568 HB3 LYS 80 HB3 LYS 80 13.623 30.494 -2.182 569 HG2 LYS 80 HG2 LYS 80 11.768 31.750 -1.613 570 HG3 LYS 80 HG3 LYS 80 13.107 32.854 -1.290 571 HD2 LYS 80 HD2 LYS 80 12.681 34.114 -3.218 572 HD3 LYS 80 HD3 LYS 80 11.689 32.843 -3.936 573 HE2 LYS 80 HE2 LYS 80 9.838 33.491 -2.828 574 HE3 LYS 80 HE3 LYS 80 10.728 33.860 -1.352 575 HZ1 LYS 80 HZ1 LYS 80 9.895 35.891 -2.163 576 HZ2 LYS 80 HZ2 LYS 80 10.398 35.573 -3.746 577 HZ3 LYS 80 HZ3 LYS 80 11.543 35.896 -2.544 578 H SER 81 H SER 81 15.541 32.401 -0.616 579 HA SER 81 HA SER 81 17.968 30.871 -0.603 580 HB2 SER 81 HB2 SER 81 17.611 32.946 0.762 581 HB3 SER 81 HB3 SER 81 16.485 32.032 1.766 582 HG SER 81 HG SER 81 18.215 31.508 2.835 583 H LEU 82 H LEU 82 18.217 29.417 1.516 584 HA LEU 82 HA LEU 82 16.631 27.112 1.029 585 HB2 LEU 82 HB2 LEU 82 18.364 27.579 3.439 586 HB3 LEU 82 HB3 LEU 82 17.930 26.042 2.694 587 HG LEU 82 HG LEU 82 19.601 28.073 1.245 588 HD11 LEU 82 HD11 LEU 82 20.330 26.592 3.597 589 HD12 LEU 82 HD12 LEU 82 21.272 27.760 2.669 590 HD13 LEU 82 HD13 LEU 82 21.281 26.057 2.210 591 HD21 LEU 82 HD21 LEU 82 19.660 25.085 0.997 592 HD22 LEU 82 HD22 LEU 82 20.181 26.308 -0.163 593 HD23 LEU 82 HD23 LEU 82 18.461 26.052 0.138 594 H ASP 83 H ASP 83 16.767 29.449 3.694 595 HA ASP 83 HA ASP 83 14.771 28.201 5.269 596 HB2 ASP 83 HB2 ASP 83 15.369 31.151 5.331 597 HB3 ASP 83 HB3 ASP 83 14.874 30.103 6.658 598 H GLU 84 H GLU 84 14.674 30.808 2.876 599 HA GLU 84 HA GLU 84 12.033 31.603 3.178 600 HB2 GLU 84 HB2 GLU 84 14.025 31.698 0.987 601 HB3 GLU 84 HB3 GLU 84 12.344 31.913 0.519 602 HG2 GLU 84 HG2 GLU 84 13.349 33.497 2.813 603 HG3 GLU 84 HG3 GLU 84 13.894 33.943 1.197 604 H ALA 85 H ALA 85 13.265 29.299 0.745 605 HA ALA 85 HA ALA 85 10.791 28.439 -0.194 606 HB1 ALA 85 HB1 ALA 85 13.554 27.409 -0.284 607 HB2 ALA 85 HB2 ALA 85 12.274 26.235 -0.591 608 HB3 ALA 85 HB3 ALA 85 12.399 27.684 -1.588 609 H GLN 86 H GLN 86 12.763 27.194 2.470 610 HA GLN 86 HA GLN 86 11.058 24.996 3.058 611 HB2 GLN 86 HB2 GLN 86 13.554 25.500 3.748 612 HB3 GLN 86 HB3 GLN 86 12.792 26.239 5.150 613 HG2 GLN 86 HG2 GLN 86 11.494 23.889 5.108 614 HG3 GLN 86 HG3 GLN 86 13.032 23.405 4.395 615 HE21 GLN 86 HE21 GLN 86 12.064 25.637 6.982 616 HE22 GLN 86 HE22 GLN 86 13.131 24.986 8.175 617 H ALA 87 H ALA 87 10.787 28.326 3.604 618 HA ALA 87 HA ALA 87 9.176 28.126 5.998 619 HB1 ALA 87 HB1 ALA 87 9.625 30.518 4.220 620 HB2 ALA 87 HB2 ALA 87 8.980 30.521 5.862 621 HB3 ALA 87 HB3 ALA 87 10.658 30.064 5.575 622 H ILE 88 H ILE 88 8.691 28.058 2.595 623 HA ILE 88 HA ILE 88 6.156 29.082 2.258 624 HB ILE 88 HB ILE 88 7.336 26.632 0.946 625 HG12 ILE 88 HG12 ILE 88 7.153 29.461 -0.097 626 HG13 ILE 88 HG13 ILE 88 8.576 28.821 0.718 627 HG21 ILE 88 HG21 ILE 88 4.846 28.200 0.392 628 HG22 ILE 88 HG22 ILE 88 5.680 27.336 -0.898 629 HG23 ILE 88 HG23 ILE 88 5.061 26.453 0.497 630 HD11 ILE 88 HD11 ILE 88 7.387 27.841 -1.865 631 HD12 ILE 88 HD12 ILE 88 8.897 28.729 -1.656 632 HD13 ILE 88 HD13 ILE 88 8.745 27.088 -1.029 633 H LYS 89 H LYS 89 4.092 28.385 2.582 634 HA LYS 89 HA LYS 89 3.777 25.895 4.127 635 HB2 LYS 89 HB2 LYS 89 2.403 28.557 4.337 636 HB3 LYS 89 HB3 LYS 89 1.618 27.097 4.925 637 HG2 LYS 89 HG2 LYS 89 2.655 27.509 6.848 638 HG3 LYS 89 HG3 LYS 89 4.116 26.928 6.045 639 HD2 LYS 89 HD2 LYS 89 4.723 29.003 6.955 640 HD3 LYS 89 HD3 LYS 89 4.422 29.338 5.248 641 HE2 LYS 89 HE2 LYS 89 3.405 31.067 6.573 642 HE3 LYS 89 HE3 LYS 89 2.135 30.083 5.848 643 HZ1 LYS 89 HZ1 LYS 89 3.109 29.504 8.570 644 HZ2 LYS 89 HZ2 LYS 89 1.622 29.110 7.867 645 HZ3 LYS 89 HZ3 LYS 89 1.949 30.709 8.313 646 H ASN 90 H ASN 90 2.298 24.420 3.476 647 HA ASN 90 HA ASN 90 1.471 24.230 0.870 648 HB2 ASN 90 HB2 ASN 90 0.031 22.446 1.547 649 HB3 ASN 90 HB3 ASN 90 1.426 22.411 2.622 650 HD21 ASN 90 HD21 ASN 90 -1.967 22.928 2.351 651 HD22 ASN 90 HD22 ASN 90 -2.298 23.076 4.040 652 H THR 91 H THR 91 -0.228 25.722 3.575 653 HA THR 91 HA THR 91 -2.730 26.125 2.521 654 HB THR 91 HB THR 91 -2.163 26.781 4.803 655 HG1 THR 91 HG1 THR 91 -3.941 27.822 3.623 656 HG21 THR 91 HG21 THR 91 0.043 27.958 3.774 657 HG22 THR 91 HG22 THR 91 -0.607 28.321 5.373 658 HG23 THR 91 HG23 THR 91 -0.990 29.367 4.006 659 H ASP 92 H ASP 92 0.235 27.869 1.807 660 HA ASP 92 HA ASP 92 -1.013 29.942 0.294 661 HB2 ASP 92 HB2 ASP 92 1.816 28.993 0.634 662 HB3 ASP 92 HB3 ASP 92 1.420 30.189 -0.597 663 H ILE 93 H ILE 93 0.494 26.850 -0.499 664 HA ILE 93 HA ILE 93 0.287 27.205 -3.329 665 HB ILE 93 HB ILE 93 0.731 24.707 -1.691 666 HG12 ILE 93 HG12 ILE 93 3.071 25.079 -2.847 667 HG13 ILE 93 HG13 ILE 93 2.522 26.748 -2.952 668 HG21 ILE 93 HG21 ILE 93 1.703 23.994 -4.033 669 HG22 ILE 93 HG22 ILE 93 -0.007 23.791 -3.652 670 HG23 ILE 93 HG23 ILE 93 0.523 25.165 -4.623 671 HD11 ILE 93 HD11 ILE 93 3.039 27.103 -0.833 672 HD12 ILE 93 HD12 ILE 93 2.080 25.717 -0.311 673 HD13 ILE 93 HD13 ILE 93 3.761 25.494 -0.794 674 H ALA 94 H ALA 94 -1.820 26.061 -0.837 675 HA ALA 94 HA ALA 94 -3.572 24.562 -2.528 676 HB1 ALA 94 HB1 ALA 94 -4.994 24.368 -0.627 677 HB2 ALA 94 HB2 ALA 94 -3.330 24.232 -0.057 678 HB3 ALA 94 HB3 ALA 94 -4.218 25.739 0.167 679 H GLU 95 H GLU 95 -3.690 27.811 -1.090 680 HA GLU 95 HA GLU 95 -6.163 28.458 -2.413 681 HB2 GLU 95 HB2 GLU 95 -4.214 30.242 -0.943 682 HB3 GLU 95 HB3 GLU 95 -5.832 30.699 -1.456 683 HG2 GLU 95 HG2 GLU 95 -5.440 28.345 0.337 684 HG3 GLU 95 HG3 GLU 95 -5.412 29.981 0.994 685 H GLU 96 H GLU 96 -2.814 28.649 -3.159 686 HA GLU 96 HA GLU 96 -2.768 30.807 -4.939 687 HB2 GLU 96 HB2 GLU 96 -1.063 28.510 -4.326 688 HB3 GLU 96 HB3 GLU 96 -0.964 29.015 -6.007 689 HG2 GLU 96 HG2 GLU 96 -0.619 30.892 -3.685 690 HG3 GLU 96 HG3 GLU 96 0.715 30.054 -4.476 691 H LEU 97 H LEU 97 -3.385 27.359 -5.537 692 HA LEU 97 HA LEU 97 -4.410 28.084 -8.201 693 HB2 LEU 97 HB2 LEU 97 -3.359 25.439 -7.208 694 HB3 LEU 97 HB3 LEU 97 -4.009 25.736 -8.819 695 HG LEU 97 HG LEU 97 -1.668 27.326 -7.860 696 HD11 LEU 97 HD11 LEU 97 -0.937 25.124 -7.354 697 HD12 LEU 97 HD12 LEU 97 -0.209 25.569 -8.897 698 HD13 LEU 97 HD13 LEU 97 -1.602 24.488 -8.858 699 HD21 LEU 97 HD21 LEU 97 -2.616 26.330 -10.544 700 HD22 LEU 97 HD22 LEU 97 -1.126 27.236 -10.277 701 HD23 LEU 97 HD23 LEU 97 -2.687 27.986 -9.939 702 H GLU 98 H GLU 98 -5.431 27.395 -5.168 703 HA GLU 98 HA GLU 98 -7.360 26.623 -4.232 704 HB2 GLU 98 HB2 GLU 98 -8.270 27.598 -6.926 705 HB3 GLU 98 HB3 GLU 98 -9.412 26.908 -5.781 706 HG2 GLU 98 HG2 GLU 98 -8.100 28.709 -4.222 707 HG3 GLU 98 HG3 GLU 98 -8.094 29.518 -5.789 708 H LEU 99 H LEU 99 -6.175 24.474 -4.439 709 HA LEU 99 HA LEU 99 -6.877 22.600 -6.413 710 HB2 LEU 99 HB2 LEU 99 -5.733 22.450 -3.668 711 HB3 LEU 99 HB3 LEU 99 -6.299 20.965 -4.430 712 HG LEU 99 HG LEU 99 -3.847 21.403 -4.650 713 HD11 LEU 99 HD11 LEU 99 -3.725 20.699 -6.944 714 HD12 LEU 99 HD12 LEU 99 -5.346 21.315 -7.263 715 HD13 LEU 99 HD13 LEU 99 -5.123 19.937 -6.186 716 HD21 LEU 99 HD21 LEU 99 -4.612 23.491 -6.668 717 HD22 LEU 99 HD22 LEU 99 -3.015 23.116 -6.018 718 HD23 LEU 99 HD23 LEU 99 -4.222 23.903 -4.999 719 HA PRO 100 HA PRO 100 -10.975 21.414 -5.355 720 HB2 PRO 100 HB2 PRO 100 -10.975 18.856 -6.266 721 HB3 PRO 100 HB3 PRO 100 -11.005 20.259 -7.341 722 HG2 PRO 100 HG2 PRO 100 -8.690 18.543 -6.529 723 HG3 PRO 100 HG3 PRO 100 -9.101 19.183 -8.131 724 HD2 PRO 100 HD2 PRO 100 -7.214 20.312 -6.553 725 HD3 PRO 100 HD3 PRO 100 -8.218 21.261 -7.668 726 HA PRO 101 HA PRO 101 -10.947 19.326 -1.479 727 HB2 PRO 101 HB2 PRO 101 -13.485 18.366 -1.414 728 HB3 PRO 101 HB3 PRO 101 -13.101 20.078 -1.205 729 HG2 PRO 101 HG2 PRO 101 -14.054 18.636 -3.649 730 HG3 PRO 101 HG3 PRO 101 -14.564 20.209 -3.008 731 HD2 PRO 101 HD2 PRO 101 -12.821 19.970 -5.066 732 HD3 PRO 101 HD3 PRO 101 -12.740 21.303 -3.897 733 H VAL 102 H VAL 102 -11.360 17.667 -4.425 734 HA VAL 102 HA VAL 102 -11.919 15.060 -3.629 735 HB VAL 102 HB VAL 102 -10.694 14.348 -5.681 736 HG11 VAL 102 HG11 VAL 102 -12.517 16.704 -6.139 737 HG12 VAL 102 HG12 VAL 102 -12.234 15.346 -7.230 738 HG13 VAL 102 HG13 VAL 102 -13.067 15.089 -5.696 739 HG21 VAL 102 HG21 VAL 102 -9.933 17.251 -5.698 740 HG22 VAL 102 HG22 VAL 102 -8.895 15.835 -5.866 741 HG23 VAL 102 HG23 VAL 102 -9.976 16.297 -7.181 742 H LYS 103 H LYS 103 -8.847 16.798 -3.723 743 HA LYS 103 HA LYS 103 -7.719 15.001 -1.779 744 HB2 LYS 103 HB2 LYS 103 -7.382 13.915 -4.079 745 HB3 LYS 103 HB3 LYS 103 -6.252 15.224 -4.400 746 HG2 LYS 103 HG2 LYS 103 -4.847 13.576 -3.647 747 HG3 LYS 103 HG3 LYS 103 -5.166 14.466 -2.157 748 HD2 LYS 103 HD2 LYS 103 -5.638 12.419 -1.339 749 HD3 LYS 103 HD3 LYS 103 -7.201 12.687 -2.115 750 HE2 LYS 103 HE2 LYS 103 -5.141 11.601 -3.892 751 HE3 LYS 103 HE3 LYS 103 -5.568 10.540 -2.551 752 HZ1 LYS 103 HZ1 LYS 103 -7.827 11.732 -3.894 753 HZ2 LYS 103 HZ2 LYS 103 -7.575 10.131 -3.414 754 HZ3 LYS 103 HZ3 LYS 103 -6.917 10.691 -4.868 755 H ILE 104 H ILE 104 -7.970 17.282 -0.916 756 HA ILE 104 HA ILE 104 -6.500 19.463 -1.740 757 HB ILE 104 HB ILE 104 -7.064 18.615 1.104 758 HG12 ILE 104 HG12 ILE 104 -9.068 18.872 -0.334 759 HG13 ILE 104 HG13 ILE 104 -9.001 20.075 0.948 760 HG21 ILE 104 HG21 ILE 104 -6.787 21.011 1.637 761 HG22 ILE 104 HG22 ILE 104 -5.298 20.259 1.065 762 HG23 ILE 104 HG23 ILE 104 -6.237 21.289 -0.016 763 HD11 ILE 104 HD11 ILE 104 -9.730 20.992 -1.215 764 HD12 ILE 104 HD12 ILE 104 -8.258 21.751 -0.608 765 HD13 ILE 104 HD13 ILE 104 -8.165 20.555 -1.901 766 H HIS 105 H HIS 105 -5.397 16.545 -0.227 767 HA HIS 105 HA HIS 105 -2.980 17.355 0.878 768 HB2 HIS 105 HB2 HIS 105 -4.253 14.891 0.249 769 HB3 HIS 105 HB3 HIS 105 -2.607 14.812 -0.371 770 HD1 HIS 105 HD1 HIS 105 -4.105 16.124 2.883 771 HD2 HIS 105 HD2 HIS 105 -1.047 13.672 1.504 772 HE1 HIS 105 HE1 HIS 105 -2.901 15.328 4.942 773 H CYS 106 H CYS 106 -3.924 17.125 -2.422 774 HA CYS 106 HA CYS 106 -1.459 16.734 -3.677 775 HB2 CYS 106 HB2 CYS 106 -4.074 17.904 -4.457 776 HB3 CYS 106 HB3 CYS 106 -2.693 18.315 -5.466 777 HG CYS 106 HG CYS 106 -2.254 15.237 -5.275 778 H SER 107 H SER 107 -2.656 19.419 -1.925 779 HA SER 107 HA SER 107 -0.821 21.314 -3.147 780 HB2 SER 107 HB2 SER 107 -2.223 22.099 -0.673 781 HB3 SER 107 HB3 SER 107 -2.099 22.942 -2.217 782 HG SER 107 HG SER 107 -4.209 21.832 -1.385 783 H ILE 108 H ILE 108 -1.131 19.392 -0.242 784 HA ILE 108 HA ILE 108 0.961 20.681 1.208 785 HB ILE 108 HB ILE 108 -0.388 18.008 1.545 786 HG12 ILE 108 HG12 ILE 108 -0.905 19.396 3.790 787 HG13 ILE 108 HG13 ILE 108 -0.694 20.739 2.672 788 HG21 ILE 108 HG21 ILE 108 0.799 18.163 3.858 789 HG22 ILE 108 HG22 ILE 108 1.665 17.514 2.468 790 HG23 ILE 108 HG23 ILE 108 1.951 19.174 2.987 791 HD11 ILE 108 HD11 ILE 108 -2.392 19.665 1.194 792 HD12 ILE 108 HD12 ILE 108 -2.685 18.498 2.484 793 HD13 ILE 108 HD13 ILE 108 -3.005 20.211 2.755 794 H LEU 109 H LEU 109 0.822 18.136 -1.158 795 HA LEU 109 HA LEU 109 3.420 17.066 -0.624 796 HB2 LEU 109 HB2 LEU 109 1.475 16.809 -2.893 797 HB3 LEU 109 HB3 LEU 109 3.087 16.102 -2.983 798 HG LEU 109 HG LEU 109 1.659 15.358 -0.554 799 HD11 LEU 109 HD11 LEU 109 0.559 14.039 -2.972 800 HD12 LEU 109 HD12 LEU 109 -0.099 15.611 -2.520 801 HD13 LEU 109 HD13 LEU 109 -0.159 14.270 -1.377 802 HD21 LEU 109 HD21 LEU 109 3.125 13.958 -2.771 803 HD22 LEU 109 HD22 LEU 109 2.302 13.074 -1.485 804 HD23 LEU 109 HD23 LEU 109 3.618 14.182 -1.092 805 H ALA 110 H ALA 110 2.191 19.732 -2.445 806 HA ALA 110 HA ALA 110 4.363 20.044 -4.244 807 HB1 ALA 110 HB1 ALA 110 3.244 22.575 -3.768 808 HB2 ALA 110 HB2 ALA 110 2.901 21.474 -5.103 809 HB3 ALA 110 HB3 ALA 110 1.922 21.414 -3.637 810 H GLU 111 H GLU 111 3.669 21.320 -1.023 811 HA GLU 111 HA GLU 111 6.096 22.900 -0.992 812 HB2 GLU 111 HB2 GLU 111 5.406 23.537 1.269 813 HB3 GLU 111 HB3 GLU 111 4.091 23.750 0.121 814 HG2 GLU 111 HG2 GLU 111 2.782 22.291 1.176 815 HG3 GLU 111 HG3 GLU 111 4.090 21.129 1.387 816 H ASP 112 H ASP 112 5.080 19.746 -0.071 817 HA ASP 112 HA ASP 112 7.147 19.294 1.871 818 HB2 ASP 112 HB2 ASP 112 5.174 17.501 0.467 819 HB3 ASP 112 HB3 ASP 112 6.426 16.852 1.523 820 H ALA 113 H ALA 113 6.821 18.985 -1.568 821 HA ALA 113 HA ALA 113 9.052 17.222 -1.932 822 HB1 ALA 113 HB1 ALA 113 8.569 17.285 -4.167 823 HB2 ALA 113 HB2 ALA 113 7.002 17.747 -3.500 824 HB3 ALA 113 HB3 ALA 113 8.091 18.983 -4.130 825 H ILE 114 H ILE 114 8.529 20.712 -2.368 826 HA ILE 114 HA ILE 114 11.075 21.376 -3.291 827 HB ILE 114 HB ILE 114 10.618 23.657 -2.423 828 HG12 ILE 114 HG12 ILE 114 8.145 22.334 -1.289 829 HG13 ILE 114 HG13 ILE 114 9.448 23.081 -0.370 830 HG21 ILE 114 HG21 ILE 114 8.940 24.143 -3.977 831 HG22 ILE 114 HG22 ILE 114 9.685 22.667 -4.588 832 HG23 ILE 114 HG23 ILE 114 8.142 22.589 -3.737 833 HD11 ILE 114 HD11 ILE 114 7.277 24.354 -1.958 834 HD12 ILE 114 HD12 ILE 114 7.845 24.716 -0.328 835 HD13 ILE 114 HD13 ILE 114 8.803 25.207 -1.724 836 H LYS 115 H LYS 115 9.862 20.976 -0.006 837 HA LYS 115 HA LYS 115 12.188 21.952 1.300 838 HB2 LYS 115 HB2 LYS 115 9.641 20.829 2.052 839 HB3 LYS 115 HB3 LYS 115 10.928 20.101 3.004 840 HG2 LYS 115 HG2 LYS 115 11.318 21.985 4.157 841 HG3 LYS 115 HG3 LYS 115 11.080 23.021 2.747 842 HD2 LYS 115 HD2 LYS 115 8.661 21.673 3.752 843 HD3 LYS 115 HD3 LYS 115 9.365 22.876 4.836 844 HE2 LYS 115 HE2 LYS 115 9.014 24.608 3.354 845 HE3 LYS 115 HE3 LYS 115 8.989 23.542 1.951 846 HZ1 LYS 115 HZ1 LYS 115 6.822 22.858 2.423 847 HZ2 LYS 115 HZ2 LYS 115 6.793 24.527 2.695 848 HZ3 LYS 115 HZ3 LYS 115 6.863 23.459 4.004 849 H ALA 116 H ALA 116 11.107 18.736 0.316 850 HA ALA 116 HA ALA 116 13.031 17.181 1.573 851 HB1 ALA 116 HB1 ALA 116 12.688 15.638 -0.456 852 HB2 ALA 116 HB2 ALA 116 11.294 16.007 0.560 853 HB3 ALA 116 HB3 ALA 116 11.504 16.835 -0.983 854 H ALA 117 H ALA 117 13.322 19.293 -1.161 855 HA ALA 117 HA ALA 117 15.813 18.183 -2.092 856 HB1 ALA 117 HB1 ALA 117 14.386 20.746 -2.790 857 HB2 ALA 117 HB2 ALA 117 15.849 20.162 -3.583 858 HB3 ALA 117 HB3 ALA 117 14.355 19.232 -3.695 859 H ILE 118 H ILE 118 14.793 20.918 -0.112 860 HA ILE 118 HA ILE 118 17.289 22.198 0.088 861 HB ILE 118 HB ILE 118 15.032 22.163 2.095 862 HG12 ILE 118 HG12 ILE 118 15.676 24.119 -0.122 863 HG13 ILE 118 HG13 ILE 118 14.354 22.957 -0.136 864 HG21 ILE 118 HG21 ILE 118 16.466 24.590 2.160 865 HG22 ILE 118 HG22 ILE 118 16.352 23.359 3.417 866 HG23 ILE 118 HG23 ILE 118 17.653 23.287 2.228 867 HD11 ILE 118 HD11 ILE 118 13.888 24.295 2.185 868 HD12 ILE 118 HD12 ILE 118 14.554 25.565 1.157 869 HD13 ILE 118 HD13 ILE 118 13.136 24.657 0.631 870 H ALA 119 H ALA 119 15.864 19.525 1.861 871 HA ALA 119 HA ALA 119 17.873 19.465 3.902 872 HB1 ALA 119 HB1 ALA 119 16.206 17.084 3.224 873 HB2 ALA 119 HB2 ALA 119 16.723 17.685 4.800 874 HB3 ALA 119 HB3 ALA 119 15.441 18.514 3.917 875 H ASP 120 H ASP 120 17.633 18.288 0.685 876 HA ASP 120 HA ASP 120 19.571 16.180 0.981 877 HB2 ASP 120 HB2 ASP 120 17.650 16.759 -0.896 878 HB3 ASP 120 HB3 ASP 120 19.133 17.221 -1.728 879 H TYR 121 H TYR 121 19.588 19.561 0.125 880 HA TYR 121 HA TYR 121 22.172 19.630 -1.042 881 HB2 TYR 121 HB2 TYR 121 20.683 21.436 -1.512 882 HB3 TYR 121 HB3 TYR 121 20.442 21.770 0.199 883 HD1 TYR 121 HD1 TYR 121 23.571 21.243 -1.768 884 HD2 TYR 121 HD2 TYR 121 21.242 23.911 0.590 885 HE1 TYR 121 HE1 TYR 121 25.397 22.890 -1.838 886 HE2 TYR 121 HE2 TYR 121 23.060 25.565 0.525 887 HH TYR 121 HH TYR 121 25.035 26.096 -0.378 888 H LYS 122 H LYS 122 21.007 20.525 2.202 889 HA LYS 122 HA LYS 122 23.471 21.206 3.311 890 HB2 LYS 122 HB2 LYS 122 21.213 19.881 4.813 891 HB3 LYS 122 HB3 LYS 122 22.426 20.981 5.455 892 HG2 LYS 122 HG2 LYS 122 21.373 22.604 3.645 893 HG3 LYS 122 HG3 LYS 122 19.975 21.555 3.891 894 HD2 LYS 122 HD2 LYS 122 21.338 22.482 6.338 895 HD3 LYS 122 HD3 LYS 122 20.508 23.726 5.400 896 HE2 LYS 122 HE2 LYS 122 18.574 23.068 6.268 897 HE3 LYS 122 HE3 LYS 122 18.792 21.483 5.528 898 HZ1 LYS 122 HZ1 LYS 122 18.458 21.425 7.967 899 HZ2 LYS 122 HZ2 LYS 122 19.923 22.248 8.163 900 HZ3 LYS 122 HZ3 LYS 122 19.907 20.705 7.469 901 H SER 123 H SER 123 22.094 18.103 2.618 902 HA SER 123 HA SER 123 23.905 16.641 4.323 903 HB2 SER 123 HB2 SER 123 21.550 16.050 2.747 904 HB3 SER 123 HB3 SER 123 22.820 14.866 2.440 905 HG SER 123 HG SER 123 22.616 14.128 4.410 906 H LYS 124 H LYS 124 23.932 17.908 1.136 907 HA LYS 124 HA LYS 124 25.935 16.101 0.113 908 HB2 LYS 124 HB2 LYS 124 24.136 17.966 -0.993 909 HB3 LYS 124 HB3 LYS 124 25.746 18.565 -1.370 910 HG2 LYS 124 HG2 LYS 124 25.343 17.230 -3.180 911 HG3 LYS 124 HG3 LYS 124 26.167 16.093 -2.111 912 HD2 LYS 124 HD2 LYS 124 23.774 15.523 -1.287 913 HD3 LYS 124 HD3 LYS 124 23.256 16.284 -2.793 914 HE2 LYS 124 HE2 LYS 124 25.245 14.024 -2.607 915 HE3 LYS 124 HE3 LYS 124 23.529 13.820 -2.959 916 HZ1 LYS 124 HZ1 LYS 124 25.331 15.510 -4.598 917 HZ2 LYS 124 HZ2 LYS 124 23.761 15.006 -4.977 918 HZ3 LYS 124 HZ3 LYS 124 25.025 13.882 -4.941 919 H ARG 125 H ARG 125 25.869 19.068 1.871 920 HA ARG 125 HA ARG 125 28.762 19.411 1.441 921 HB2 ARG 125 HB2 ARG 125 28.520 21.724 1.954 922 HB3 ARG 125 HB3 ARG 125 27.246 21.324 0.809 923 HG2 ARG 125 HG2 ARG 125 25.864 22.334 2.226 924 HG3 ARG 125 HG3 ARG 125 26.041 20.902 3.242 925 HD2 ARG 125 HD2 ARG 125 27.862 21.951 4.452 926 HD3 ARG 125 HD3 ARG 125 27.785 23.357 3.391 927 HE ARG 125 HE ARG 125 25.270 23.010 4.550 928 HH11 ARG 125 HH11 ARG 125 28.520 23.821 5.497 929 HH12 ARG 125 HH12 ARG 125 28.024 24.790 6.845 930 HH21 ARG 125 HH21 ARG 125 24.604 24.283 6.322 931 HH22 ARG 125 HH22 ARG 125 25.797 25.051 7.314 932 H GLU 126 H GLU 126 26.433 18.412 3.656 933 HA GLU 126 HA GLU 126 27.330 19.289 6.115 934 HB2 GLU 126 HB2 GLU 126 25.670 17.153 5.129 935 HB3 GLU 126 HB3 GLU 126 26.662 16.572 6.459 936 HG2 GLU 126 HG2 GLU 126 25.405 19.171 6.934 937 HG3 GLU 126 HG3 GLU 126 24.275 17.834 6.726 938 H ALA 127 H ALA 127 28.206 16.146 4.667 939 HA ALA 127 HA ALA 127 30.604 16.086 6.336 940 HB1 ALA 127 HB1 ALA 127 30.688 13.790 5.990 941 HB2 ALA 127 HB2 ALA 127 28.957 14.126 6.043 942 HB3 ALA 127 HB3 ALA 127 29.760 13.882 4.492 943 H LYS 128 H LYS 128 32.208 17.260 5.455 944 HA LYS 128 HA LYS 128 33.473 16.333 3.078 945 HB2 LYS 128 HB2 LYS 128 31.739 17.635 1.986 946 HB3 LYS 128 HB3 LYS 128 32.113 19.031 2.988 947 HG2 LYS 128 HG2 LYS 128 34.238 19.307 1.931 948 HG3 LYS 128 HG3 LYS 128 34.052 17.787 1.052 949 HD2 LYS 128 HD2 LYS 128 33.526 19.461 -0.511 950 HD3 LYS 128 HD3 LYS 128 31.965 18.832 0.022 951 HE2 LYS 128 HE2 LYS 128 31.373 20.779 0.976 952 HE3 LYS 128 HE3 LYS 128 32.987 21.064 1.625 953 HZ1 LYS 128 HZ1 LYS 128 31.811 22.320 -0.532 954 HZ2 LYS 128 HZ2 LYS 128 32.991 21.308 -1.198 955 HZ3 LYS 128 HZ3 LYS 128 33.421 22.452 -0.029 Start of MODEL 5 1 H1 MET 1 H MET 1 -22.645 8.429 -9.282 2 HA MET 1 HA MET 1 -21.555 10.080 -7.983 3 HB2 MET 1 HB2 MET 1 -19.802 8.012 -7.559 4 HB3 MET 1 HB3 MET 1 -18.823 9.137 -8.491 5 HG2 MET 1 HG2 MET 1 -18.939 10.784 -6.874 6 HG3 MET 1 HG3 MET 1 -20.387 10.101 -6.139 7 HE1 MET 1 HE1 MET 1 -20.016 7.325 -4.855 8 HE2 MET 1 HE2 MET 1 -19.250 7.983 -3.409 9 HE3 MET 1 HE3 MET 1 -20.498 8.909 -4.245 10 H ALA 2 H ALA 2 -20.030 8.676 -10.855 11 HA ALA 2 HA ALA 2 -19.306 9.594 -12.808 12 HB1 ALA 2 HB1 ALA 2 -21.495 10.350 -13.195 13 HB2 ALA 2 HB2 ALA 2 -21.363 11.618 -11.975 14 HB3 ALA 2 HB3 ALA 2 -20.469 11.754 -13.489 15 H TYR 3 H TYR 3 -17.161 9.921 -12.289 16 HA TYR 3 HA TYR 3 -16.369 12.403 -10.992 17 HB2 TYR 3 HB2 TYR 3 -14.988 9.855 -11.722 18 HB3 TYR 3 HB3 TYR 3 -14.018 11.305 -11.493 19 HD1 TYR 3 HD2 TYR 3 -13.983 12.431 -9.283 20 HD2 TYR 3 HD1 TYR 3 -15.966 8.712 -9.867 21 HE1 TYR 3 HE2 TYR 3 -14.014 12.073 -6.850 22 HE2 TYR 3 HE1 TYR 3 -16.003 8.344 -7.436 23 HH TYR 3 HH TYR 3 -15.786 10.437 -5.255 24 H SER 4 H SER 4 -14.991 13.940 -11.931 25 HA SER 4 HA SER 4 -14.527 13.754 -14.813 26 HB2 SER 4 HB2 SER 4 -16.710 14.963 -14.378 27 HB3 SER 4 HB3 SER 4 -15.766 16.219 -13.577 28 HG SER 4 HG SER 4 -15.865 15.511 -16.287 29 H GLU 5 H GLU 5 -12.660 14.687 -15.476 30 HA GLU 5 HA GLU 5 -11.250 16.501 -13.668 31 HB2 GLU 5 HB2 GLU 5 -9.150 15.218 -13.928 32 HB3 GLU 5 HB3 GLU 5 -10.388 14.324 -13.058 33 HG2 GLU 5 HG2 GLU 5 -10.903 13.051 -15.064 34 HG3 GLU 5 HG3 GLU 5 -9.698 13.967 -15.966 35 H LYS 6 H LYS 6 -9.451 17.617 -14.701 36 HA LYS 6 HA LYS 6 -10.089 18.264 -17.448 37 HB2 LYS 6 HB2 LYS 6 -8.431 19.462 -15.291 38 HB3 LYS 6 HB3 LYS 6 -7.963 19.815 -16.949 39 HG2 LYS 6 HG2 LYS 6 -10.798 20.180 -16.081 40 HG3 LYS 6 HG3 LYS 6 -9.582 21.406 -15.710 41 HD2 LYS 6 HD2 LYS 6 -9.690 22.199 -17.785 42 HD3 LYS 6 HD3 LYS 6 -9.339 20.602 -18.451 43 HE2 LYS 6 HE2 LYS 6 -11.931 20.296 -17.728 44 HE3 LYS 6 HE3 LYS 6 -11.906 22.009 -18.143 45 HZ1 LYS 6 HZ1 LYS 6 -12.113 19.903 -19.889 46 HZ2 LYS 6 HZ2 LYS 6 -10.524 20.448 -20.081 47 HZ3 LYS 6 HZ3 LYS 6 -11.816 21.520 -20.291 48 H VAL 7 H VAL 7 -7.986 18.794 -18.823 49 HA VAL 7 HA VAL 7 -5.835 16.913 -18.535 50 HB VAL 7 HB VAL 7 -7.519 15.413 -19.466 51 HG11 VAL 7 HG11 VAL 7 -8.623 15.780 -21.524 52 HG12 VAL 7 HG12 VAL 7 -8.801 17.274 -20.602 53 HG13 VAL 7 HG13 VAL 7 -7.613 17.174 -21.902 54 HG21 VAL 7 HG21 VAL 7 -5.135 15.196 -20.121 55 HG22 VAL 7 HG22 VAL 7 -6.254 14.573 -21.334 56 HG23 VAL 7 HG23 VAL 7 -5.483 16.142 -21.568 57 H ILE 8 H ILE 8 -4.083 17.394 -19.844 58 HA ILE 8 HA ILE 8 -4.400 19.728 -21.616 59 HB ILE 8 HB ILE 8 -1.991 19.159 -19.887 60 HG12 ILE 8 HG12 ILE 8 -3.913 19.803 -18.509 61 HG13 ILE 8 HG13 ILE 8 -2.717 21.093 -18.550 62 HG21 ILE 8 HG21 ILE 8 -1.648 21.675 -20.547 63 HG22 ILE 8 HG22 ILE 8 -1.150 20.381 -21.636 64 HG23 ILE 8 HG23 ILE 8 -2.669 21.233 -21.915 65 HD11 ILE 8 HD11 ILE 8 -4.424 21.673 -20.653 66 HD12 ILE 8 HD12 ILE 8 -5.483 21.115 -19.356 67 HD13 ILE 8 HD13 ILE 8 -4.376 22.459 -19.075 68 H ASP 9 H ASP 9 -3.377 19.668 -23.558 69 HA ASP 9 HA ASP 9 -2.670 17.197 -24.672 70 HB2 ASP 9 HB2 ASP 9 -1.947 18.463 -26.623 71 HB3 ASP 9 HB3 ASP 9 -3.448 19.136 -25.993 72 H HIS 10 H HIS 10 -0.738 16.206 -25.094 73 HA HIS 10 HA HIS 10 1.408 16.698 -23.319 74 HB2 HIS 10 HB2 HIS 10 0.626 14.631 -25.057 75 HB3 HIS 10 HB3 HIS 10 2.222 15.134 -25.605 76 HD1 HIS 10 HD1 HIS 10 0.481 13.345 -22.878 77 HD2 HIS 10 HD2 HIS 10 4.300 14.768 -23.686 78 HE1 HIS 10 HE1 HIS 10 1.983 12.234 -21.194 79 H TYR 11 H TYR 11 3.745 16.538 -24.566 80 HA TYR 11 HA TYR 11 3.861 19.032 -26.122 81 HB2 TYR 11 HB2 TYR 11 5.577 17.840 -24.038 82 HB3 TYR 11 HB3 TYR 11 6.439 18.578 -25.384 83 HD1 TYR 11 HD1 TYR 11 3.985 19.228 -22.692 84 HD2 TYR 11 HD2 TYR 11 6.577 20.935 -25.603 85 HE1 TYR 11 HE1 TYR 11 3.652 21.445 -21.680 86 HE2 TYR 11 HE2 TYR 11 6.252 23.156 -24.597 87 HH TYR 11 HH TYR 11 4.006 23.644 -21.905 88 H GLU 12 H GLU 12 5.822 19.121 -27.627 89 HA GLU 12 HA GLU 12 5.573 16.970 -29.501 90 HB2 GLU 12 HB2 GLU 12 5.879 19.406 -30.095 91 HB3 GLU 12 HB3 GLU 12 7.553 19.247 -29.584 92 HG2 GLU 12 HG2 GLU 12 7.321 19.062 -32.001 93 HG3 GLU 12 HG3 GLU 12 7.947 17.575 -31.290 94 H ASN 13 H ASN 13 6.358 15.193 -28.252 95 HA ASN 13 HA ASN 13 7.925 13.646 -27.684 96 HB2 ASN 13 HB2 ASN 13 9.142 15.201 -29.819 97 HB3 ASN 13 HB3 ASN 13 10.351 14.554 -28.713 98 HD21 ASN 13 HD21 ASN 13 11.202 12.904 -29.791 99 HD22 ASN 13 HD22 ASN 13 10.313 11.581 -30.457 100 HA PRO 14 HA PRO 14 9.982 15.030 -24.064 101 HB2 PRO 14 HB2 PRO 14 12.036 13.268 -23.845 102 HB3 PRO 14 HB3 PRO 14 10.352 12.823 -23.543 103 HG2 PRO 14 HG2 PRO 14 12.017 12.388 -25.993 104 HG3 PRO 14 HG3 PRO 14 10.892 11.275 -25.193 105 HD2 PRO 14 HD2 PRO 14 10.224 12.677 -27.411 106 HD3 PRO 14 HD3 PRO 14 9.041 12.254 -26.157 107 H ARG 15 H ARG 15 10.776 17.065 -24.621 108 HA ARG 15 HA ARG 15 13.498 17.157 -25.731 109 HB2 ARG 15 HB2 ARG 15 11.519 18.441 -26.797 110 HB3 ARG 15 HB3 ARG 15 11.690 19.539 -25.434 111 HG2 ARG 15 HG2 ARG 15 14.092 18.873 -27.063 112 HG3 ARG 15 HG3 ARG 15 12.904 20.014 -27.697 113 HD2 ARG 15 HD2 ARG 15 13.613 20.518 -24.915 114 HD3 ARG 15 HD3 ARG 15 14.992 20.619 -26.009 115 HE ARG 15 HE ARG 15 12.685 22.057 -26.935 116 HH11 ARG 15 HH11 ARG 15 15.526 22.200 -24.928 117 HH12 ARG 15 HH12 ARG 15 15.645 23.927 -24.993 118 HH21 ARG 15 HH21 ARG 15 12.831 24.332 -27.028 119 HH22 ARG 15 HH22 ARG 15 14.111 25.139 -26.187 120 H ASN 16 H ASN 16 11.556 17.893 -22.956 121 HA ASN 16 HA ASN 16 13.944 18.971 -21.610 122 HB2 ASN 16 HB2 ASN 16 11.055 19.797 -21.312 123 HB3 ASN 16 HB3 ASN 16 12.295 20.224 -20.136 124 HD21 ASN 16 HD21 ASN 16 13.889 21.697 -20.695 125 HD22 ASN 16 HD22 ASN 16 13.750 22.724 -22.077 126 H VAL 17 H VAL 17 14.475 16.843 -20.925 127 HA VAL 17 HA VAL 17 12.824 15.045 -19.617 128 HB VAL 17 HB VAL 17 15.737 15.525 -18.975 129 HG11 VAL 17 HG11 VAL 17 13.858 13.228 -18.527 130 HG12 VAL 17 HG12 VAL 17 15.607 12.997 -18.586 131 HG13 VAL 17 HG13 VAL 17 14.896 14.052 -17.364 132 HG21 VAL 17 HG21 VAL 17 16.196 14.919 -21.063 133 HG22 VAL 17 HG22 VAL 17 15.456 13.353 -20.731 134 HG23 VAL 17 HG23 VAL 17 14.486 14.660 -21.410 135 H GLY 18 H GLY 18 14.327 17.964 -18.424 136 HA2 GLY 18 HA2 GLY 18 14.040 19.122 -16.462 137 HA3 GLY 18 HA3 GLY 18 12.605 18.143 -16.198 138 H SER 19 H SER 19 15.864 16.873 -16.542 139 HA SER 19 HA SER 19 16.049 16.417 -13.664 140 HB2 SER 19 HB2 SER 19 14.998 14.435 -15.200 141 HB3 SER 19 HB3 SER 19 16.714 14.038 -15.285 142 HG SER 19 HG SER 19 15.002 14.103 -13.065 143 H PHE 20 H PHE 20 18.209 15.346 -13.131 144 HA PHE 20 HA PHE 20 20.278 16.477 -14.897 145 HB2 PHE 20 HB2 PHE 20 19.779 17.011 -12.201 146 HB3 PHE 20 HB3 PHE 20 21.178 15.942 -12.192 147 HD1 PHE 20 HD2 PHE 20 23.265 16.617 -13.263 148 HD2 PHE 20 HD1 PHE 20 19.912 19.232 -13.081 149 HE1 PHE 20 HE2 PHE 20 24.722 18.517 -13.829 150 HE2 PHE 20 HE1 PHE 20 21.363 21.137 -13.648 151 HZ PHE 20 HZ PHE 20 23.771 20.781 -14.021 152 H ASP 21 H ASP 21 19.178 13.680 -13.171 153 HA ASP 21 HA ASP 21 19.827 11.500 -13.196 154 HB2 ASP 21 HB2 ASP 21 20.045 12.221 -15.736 155 HB3 ASP 21 HB3 ASP 21 21.761 11.982 -15.421 156 H ASN 22 H ASN 22 21.350 13.571 -11.716 157 HA ASN 22 HA ASN 22 23.336 11.948 -10.608 158 HB2 ASN 22 HB2 ASN 22 24.657 12.228 -12.568 159 HB3 ASN 22 HB3 ASN 22 24.316 13.955 -12.637 160 HD21 ASN 22 HD21 ASN 22 26.095 11.446 -10.997 161 HD22 ASN 22 HD22 ASN 22 27.245 12.487 -10.235 162 H ASN 23 H ASN 23 22.674 12.649 -8.642 163 HA ASN 23 HA ASN 23 22.024 15.274 -7.940 164 HB2 ASN 23 HB2 ASN 23 22.546 14.439 -5.560 165 HB3 ASN 23 HB3 ASN 23 21.282 13.606 -6.461 166 HD21 ASN 23 HD21 ASN 23 21.697 11.543 -7.297 167 HD22 ASN 23 HD22 ASN 23 22.982 10.563 -6.685 168 H ASP 24 H ASP 24 23.282 17.005 -7.925 169 HA ASP 24 HA ASP 24 26.167 16.724 -7.695 170 HB2 ASP 24 HB2 ASP 24 24.701 19.333 -7.994 171 HB3 ASP 24 HB3 ASP 24 26.329 18.916 -8.522 172 H GLU 25 H GLU 25 27.283 18.518 -6.368 173 HA GLU 25 HA GLU 25 26.489 18.161 -3.644 174 HB2 GLU 25 HB2 GLU 25 28.495 19.320 -3.069 175 HB3 GLU 25 HB3 GLU 25 28.866 18.293 -4.447 176 HG2 GLU 25 HG2 GLU 25 29.683 20.057 -5.490 177 HG3 GLU 25 HG3 GLU 25 28.065 20.756 -5.515 178 H ASN 26 H ASN 26 25.783 20.464 -6.053 179 HA ASN 26 HA ASN 26 24.861 22.397 -4.032 180 HB2 ASN 26 HB2 ASN 26 24.700 23.865 -6.236 181 HB3 ASN 26 HB3 ASN 26 26.222 23.679 -5.370 182 HD21 ASN 26 HD21 ASN 26 24.399 21.701 -7.688 183 HD22 ASN 26 HD22 ASN 26 25.718 21.464 -8.779 184 H VAL 27 H VAL 27 23.874 20.181 -6.443 185 HA VAL 27 HA VAL 27 21.238 21.376 -6.767 186 HB VAL 27 HB VAL 27 22.416 18.851 -7.934 187 HG11 VAL 27 HG11 VAL 27 20.351 18.245 -8.476 188 HG12 VAL 27 HG12 VAL 27 19.695 19.694 -7.712 189 HG13 VAL 27 HG13 VAL 27 20.180 19.731 -9.408 190 HG21 VAL 27 HG21 VAL 27 22.117 20.320 -10.061 191 HG22 VAL 27 HG22 VAL 27 22.127 21.661 -8.915 192 HG23 VAL 27 HG23 VAL 27 23.513 20.576 -9.015 193 H GLY 28 H GLY 28 19.470 20.775 -5.678 194 HA2 GLY 28 HA2 GLY 28 19.715 18.455 -3.871 195 HA3 GLY 28 HA3 GLY 28 18.689 19.852 -3.578 196 H SER 29 H SER 29 18.140 16.903 -3.761 197 HA SER 29 HA SER 29 16.075 17.021 -5.862 198 HB2 SER 29 HB2 SER 29 16.577 14.916 -6.518 199 HB3 SER 29 HB3 SER 29 18.106 15.187 -5.684 200 HG SER 29 HG SER 29 17.351 13.358 -4.792 201 H GLY 30 H GLY 30 14.003 16.768 -5.274 202 HA2 GLY 30 HA2 GLY 30 13.456 15.779 -2.546 203 HA3 GLY 30 HA3 GLY 30 12.686 17.236 -3.158 204 H MET 31 H MET 31 12.197 14.051 -2.597 205 HA MET 31 HA MET 31 10.129 13.890 -4.689 206 HB2 MET 31 HB2 MET 31 11.920 12.301 -5.175 207 HB3 MET 31 HB3 MET 31 11.783 11.626 -3.557 208 HG2 MET 31 HG2 MET 31 9.260 11.610 -4.996 209 HG3 MET 31 HG3 MET 31 10.528 10.705 -5.821 210 HE1 MET 31 HE1 MET 31 7.833 10.794 -3.825 211 HE2 MET 31 HE2 MET 31 7.671 9.044 -3.683 212 HE3 MET 31 HE3 MET 31 8.099 10.008 -2.269 213 H VAL 32 H VAL 32 8.124 13.743 -3.935 214 HA VAL 32 HA VAL 32 7.695 12.597 -1.258 215 HB VAL 32 HB VAL 32 5.965 14.277 -0.810 216 HG11 VAL 32 HG11 VAL 32 7.580 16.306 -0.742 217 HG12 VAL 32 HG12 VAL 32 7.969 14.861 0.194 218 HG13 VAL 32 HG13 VAL 32 8.773 15.158 -1.349 219 HG21 VAL 32 HG21 VAL 32 5.421 14.751 -3.183 220 HG22 VAL 32 HG22 VAL 32 5.662 16.207 -2.218 221 HG23 VAL 32 HG23 VAL 32 6.930 15.655 -3.313 222 H GLY 33 H GLY 33 5.804 11.434 -0.967 223 HA2 GLY 33 HA2 GLY 33 3.854 11.302 -3.120 224 HA3 GLY 33 HA3 GLY 33 4.787 9.838 -2.852 225 H ALA 34 H ALA 34 2.244 9.416 -2.591 226 HA ALA 34 HA ALA 34 1.890 9.008 0.265 227 HB1 ALA 34 HB1 ALA 34 0.505 11.078 -1.140 228 HB2 ALA 34 HB2 ALA 34 -0.649 9.853 -0.609 229 HB3 ALA 34 HB3 ALA 34 0.411 10.634 0.564 230 HA PRO 35 HA PRO 35 0.202 5.176 -1.060 231 HB2 PRO 35 HB2 PRO 35 -1.449 4.606 1.018 232 HB3 PRO 35 HB3 PRO 35 0.313 4.514 1.138 233 HG2 PRO 35 HG2 PRO 35 -1.534 6.697 2.024 234 HG3 PRO 35 HG3 PRO 35 -0.133 6.008 2.863 235 HD2 PRO 35 HD2 PRO 35 -0.016 8.355 1.518 236 HD3 PRO 35 HD3 PRO 35 1.372 7.253 1.640 237 H ALA 36 H ALA 36 -2.277 7.324 0.349 238 HA ALA 36 HA ALA 36 -4.351 6.187 -1.298 239 HB1 ALA 36 HB1 ALA 36 -4.370 8.549 0.575 240 HB2 ALA 36 HB2 ALA 36 -5.792 7.892 -0.237 241 HB3 ALA 36 HB3 ALA 36 -4.912 6.909 0.933 242 H CYS 37 H CYS 37 -2.132 8.819 -1.504 243 HA CYS 37 HA CYS 37 -3.631 10.357 -3.405 244 HB2 CYS 37 HB2 CYS 37 -1.724 11.120 -1.790 245 HB3 CYS 37 HB3 CYS 37 -0.657 10.574 -3.077 246 HG CYS 37 HG CYS 37 -3.077 12.559 -4.207 247 H GLY 38 H GLY 38 -1.264 7.792 -3.541 248 HA2 GLY 38 HA2 GLY 38 -0.346 6.632 -5.300 249 HA3 GLY 38 HA3 GLY 38 -1.888 6.931 -6.088 250 H ALA 39 H ALA 39 0.997 8.854 -5.242 251 HA ALA 39 HA ALA 39 1.612 9.382 -7.982 252 HB1 ALA 39 HB1 ALA 39 1.295 11.903 -7.712 253 HB2 ALA 39 HB2 ALA 39 -0.147 10.927 -7.994 254 HB3 ALA 39 HB3 ALA 39 0.226 11.500 -6.368 255 H VAL 40 H VAL 40 3.338 11.202 -8.093 256 HA VAL 40 HA VAL 40 4.926 11.396 -5.653 257 HB VAL 40 HB VAL 40 6.152 10.350 -8.205 258 HG11 VAL 40 HG11 VAL 40 8.010 11.095 -7.209 259 HG12 VAL 40 HG12 VAL 40 7.196 11.320 -5.659 260 HG13 VAL 40 HG13 VAL 40 7.811 9.729 -6.111 261 HG21 VAL 40 HG21 VAL 40 6.404 8.219 -6.866 262 HG22 VAL 40 HG22 VAL 40 5.222 8.892 -5.742 263 HG23 VAL 40 HG23 VAL 40 4.773 8.594 -7.421 264 H MET 41 H MET 41 6.056 13.263 -5.507 265 HA MET 41 HA MET 41 5.978 15.046 -7.850 266 HB2 MET 41 HB2 MET 41 5.247 15.438 -5.090 267 HB3 MET 41 HB3 MET 41 6.516 16.568 -5.544 268 HG2 MET 41 HG2 MET 41 5.206 17.632 -7.096 269 HG3 MET 41 HG3 MET 41 4.167 16.230 -7.339 270 HE1 MET 41 HE1 MET 41 2.486 19.660 -5.598 271 HE2 MET 41 HE2 MET 41 4.205 19.715 -5.990 272 HE3 MET 41 HE3 MET 41 3.051 19.091 -7.169 273 H LYS 42 H LYS 42 7.899 14.968 -8.834 274 HA LYS 42 HA LYS 42 10.328 15.028 -7.170 275 HB2 LYS 42 HB2 LYS 42 10.042 14.155 -10.051 276 HB3 LYS 42 HB3 LYS 42 11.513 14.088 -9.089 277 HG2 LYS 42 HG2 LYS 42 10.247 12.551 -7.520 278 HG3 LYS 42 HG3 LYS 42 9.015 12.453 -8.781 279 HD2 LYS 42 HD2 LYS 42 10.433 10.592 -9.112 280 HD3 LYS 42 HD3 LYS 42 10.877 11.763 -10.355 281 HE2 LYS 42 HE2 LYS 42 12.944 12.023 -9.529 282 HE3 LYS 42 HE3 LYS 42 12.371 12.069 -7.863 283 HZ1 LYS 42 HZ1 LYS 42 12.793 9.621 -9.492 284 HZ2 LYS 42 HZ2 LYS 42 12.207 9.649 -7.906 285 HZ3 LYS 42 HZ3 LYS 42 13.786 10.160 -8.232 286 H LEU 43 H LEU 43 11.326 16.920 -7.065 287 HA LEU 43 HA LEU 43 11.299 18.669 -9.428 288 HB2 LEU 43 HB2 LEU 43 10.639 19.349 -6.590 289 HB3 LEU 43 HB3 LEU 43 11.318 20.571 -7.663 290 HG LEU 43 HG LEU 43 9.353 19.994 -9.222 291 HD11 LEU 43 HD11 LEU 43 8.803 18.278 -6.958 292 HD12 LEU 43 HD12 LEU 43 8.069 18.305 -8.561 293 HD13 LEU 43 HD13 LEU 43 7.463 19.374 -7.296 294 HD21 LEU 43 HD21 LEU 43 8.418 21.884 -8.476 295 HD22 LEU 43 HD22 LEU 43 9.734 21.905 -7.301 296 HD23 LEU 43 HD23 LEU 43 8.165 21.231 -6.857 297 H GLN 44 H GLN 44 13.165 19.833 -9.810 298 HA GLN 44 HA GLN 44 15.475 19.059 -8.161 299 HB2 GLN 44 HB2 GLN 44 15.054 18.927 -10.941 300 HB3 GLN 44 HB3 GLN 44 16.207 20.231 -10.689 301 HG2 GLN 44 HG2 GLN 44 17.655 18.502 -10.852 302 HG3 GLN 44 HG3 GLN 44 17.342 18.434 -9.118 303 HE21 GLN 44 HE21 GLN 44 15.182 17.125 -8.705 304 HE22 GLN 44 HE22 GLN 44 15.162 15.567 -9.450 305 H ILE 45 H ILE 45 17.116 20.627 -7.744 306 HA ILE 45 HA ILE 45 16.465 23.422 -8.244 307 HB ILE 45 HB ILE 45 16.603 24.107 -5.949 308 HG12 ILE 45 HG12 ILE 45 17.013 21.180 -5.299 309 HG13 ILE 45 HG13 ILE 45 18.225 22.448 -5.163 310 HG21 ILE 45 HG21 ILE 45 14.546 23.265 -5.117 311 HG22 ILE 45 HG22 ILE 45 14.422 23.268 -6.875 312 HG23 ILE 45 HG23 ILE 45 14.724 21.758 -6.016 313 HD11 ILE 45 HD11 ILE 45 16.944 23.520 -3.415 314 HD12 ILE 45 HD12 ILE 45 15.670 22.312 -3.582 315 HD13 ILE 45 HD13 ILE 45 17.265 21.837 -3.001 316 H LYS 46 H LYS 46 18.238 24.882 -7.631 317 HA LYS 46 HA LYS 46 20.841 23.554 -7.372 318 HB2 LYS 46 HB2 LYS 46 20.658 23.929 -9.726 319 HB3 LYS 46 HB3 LYS 46 20.053 25.562 -9.482 320 HG2 LYS 46 HG2 LYS 46 22.355 25.605 -10.225 321 HG3 LYS 46 HG3 LYS 46 22.227 26.230 -8.580 322 HD2 LYS 46 HD2 LYS 46 23.813 24.779 -7.998 323 HD3 LYS 46 HD3 LYS 46 22.644 23.487 -8.284 324 HE2 LYS 46 HE2 LYS 46 24.042 22.735 -9.848 325 HE3 LYS 46 HE3 LYS 46 23.560 24.128 -10.815 326 HZ1 LYS 46 HZ1 LYS 46 25.566 25.016 -10.597 327 HZ2 LYS 46 HZ2 LYS 46 26.086 23.557 -9.919 328 HZ3 LYS 46 HZ3 LYS 46 25.568 24.817 -8.917 329 H VAL 47 H VAL 47 21.524 24.294 -5.461 330 HA VAL 47 HA VAL 47 21.129 27.131 -4.809 331 HB VAL 47 HB VAL 47 22.103 24.992 -2.923 332 HG11 VAL 47 HG11 VAL 47 22.211 26.633 -1.430 333 HG12 VAL 47 HG12 VAL 47 21.852 27.783 -2.720 334 HG13 VAL 47 HG13 VAL 47 20.542 27.095 -1.759 335 HG21 VAL 47 HG21 VAL 47 20.082 24.056 -3.071 336 HG22 VAL 47 HG22 VAL 47 19.472 25.499 -2.261 337 HG23 VAL 47 HG23 VAL 47 19.441 25.396 -4.021 338 H ASN 48 H ASN 48 22.829 28.469 -4.282 339 HA ASN 48 HA ASN 48 25.475 27.499 -5.099 340 HB2 ASN 48 HB2 ASN 48 25.867 30.134 -4.946 341 HB3 ASN 48 HB3 ASN 48 25.161 29.378 -6.371 342 HD21 ASN 48 HD21 ASN 48 24.171 30.680 -3.223 343 HD22 ASN 48 HD22 ASN 48 22.745 31.463 -3.805 344 H ASP 49 H ASP 49 27.283 28.897 -3.937 345 HA ASP 49 HA ASP 49 27.439 27.993 -1.300 346 HB2 ASP 49 HB2 ASP 49 29.369 28.651 -2.775 347 HB3 ASP 49 HB3 ASP 49 28.965 30.335 -2.449 348 H GLU 50 H GLU 50 25.962 30.811 -2.618 349 HA GLU 50 HA GLU 50 25.970 32.354 -0.203 350 HB2 GLU 50 HB2 GLU 50 25.029 32.671 -2.941 351 HB3 GLU 50 HB3 GLU 50 23.883 33.306 -1.769 352 HG2 GLU 50 HG2 GLU 50 25.403 34.866 -0.945 353 HG3 GLU 50 HG3 GLU 50 26.786 34.024 -1.641 354 H GLY 51 H GLY 51 24.211 29.678 -1.277 355 HA2 GLY 51 HA2 GLY 51 22.580 28.483 -0.143 356 HA3 GLY 51 HA3 GLY 51 22.505 29.776 1.044 357 H ILE 52 H ILE 52 22.145 30.391 -2.371 358 HA ILE 52 HA ILE 52 19.264 30.845 -1.943 359 HB ILE 52 HB ILE 52 21.131 32.509 -3.637 360 HG12 ILE 52 HG12 ILE 52 21.437 32.995 -1.286 361 HG13 ILE 52 HG13 ILE 52 20.531 34.312 -2.023 362 HG21 ILE 52 HG21 ILE 52 19.190 33.933 -4.043 363 HG22 ILE 52 HG22 ILE 52 18.916 32.296 -4.637 364 HG23 ILE 52 HG23 ILE 52 18.176 32.820 -3.125 365 HD11 ILE 52 HD11 ILE 52 19.078 34.081 -0.370 366 HD12 ILE 52 HD12 ILE 52 18.586 32.561 -1.116 367 HD13 ILE 52 HD13 ILE 52 19.811 32.565 0.152 368 H ILE 53 H ILE 53 17.873 30.280 -3.584 369 HA ILE 53 HA ILE 53 18.791 28.264 -5.391 370 HB ILE 53 HB ILE 53 16.087 29.605 -5.313 371 HG12 ILE 53 HG12 ILE 53 16.716 28.603 -3.138 372 HG13 ILE 53 HG13 ILE 53 15.374 27.755 -3.899 373 HG21 ILE 53 HG21 ILE 53 16.287 28.458 -7.358 374 HG22 ILE 53 HG22 ILE 53 17.109 27.093 -6.605 375 HG23 ILE 53 HG23 ILE 53 15.394 27.368 -6.298 376 HD11 ILE 53 HD11 ILE 53 17.890 26.585 -4.659 377 HD12 ILE 53 HD12 ILE 53 17.717 26.649 -2.905 378 HD13 ILE 53 HD13 ILE 53 16.490 25.846 -3.883 379 H GLU 54 H GLU 54 19.701 28.609 -7.298 380 HA GLU 54 HA GLU 54 19.149 31.135 -8.697 381 HB2 GLU 54 HB2 GLU 54 21.470 30.962 -8.305 382 HB3 GLU 54 HB3 GLU 54 21.501 29.259 -8.740 383 HG2 GLU 54 HG2 GLU 54 21.146 29.793 -11.058 384 HG3 GLU 54 HG3 GLU 54 20.947 31.500 -10.669 385 H ASP 55 H ASP 55 18.837 27.709 -8.887 386 HA ASP 55 HA ASP 55 17.421 27.986 -11.422 387 HB2 ASP 55 HB2 ASP 55 20.029 26.803 -11.195 388 HB3 ASP 55 HB3 ASP 55 18.861 25.562 -11.643 389 H ALA 56 H ALA 56 15.896 26.340 -11.819 390 HA ALA 56 HA ALA 56 15.526 24.291 -9.780 391 HB1 ALA 56 HB1 ALA 56 13.109 25.896 -10.428 392 HB2 ALA 56 HB2 ALA 56 13.511 24.993 -8.966 393 HB3 ALA 56 HB3 ALA 56 14.268 26.556 -9.274 394 H ARG 57 H ARG 57 14.938 22.435 -10.695 395 HA ARG 57 HA ARG 57 13.795 22.526 -13.408 396 HB2 ARG 57 HB2 ARG 57 16.066 21.192 -12.444 397 HB3 ARG 57 HB3 ARG 57 14.849 19.940 -12.659 398 HG2 ARG 57 HG2 ARG 57 14.762 20.218 -14.927 399 HG3 ARG 57 HG3 ARG 57 15.271 21.905 -14.850 400 HD2 ARG 57 HD2 ARG 57 17.094 19.613 -14.161 401 HD3 ARG 57 HD3 ARG 57 16.952 20.263 -15.794 402 HE ARG 57 HE ARG 57 18.318 21.456 -13.566 403 HH11 ARG 57 HH11 ARG 57 16.733 22.061 -16.606 404 HH12 ARG 57 HH12 ARG 57 17.579 23.544 -16.900 405 HH21 ARG 57 HH21 ARG 57 19.439 23.406 -13.942 406 HH22 ARG 57 HH22 ARG 57 19.119 24.308 -15.385 407 H PHE 58 H PHE 58 12.417 20.603 -13.957 408 HA PHE 58 HA PHE 58 11.087 19.262 -11.784 409 HB2 PHE 58 HB2 PHE 58 9.882 21.332 -11.634 410 HB3 PHE 58 HB3 PHE 58 9.656 21.391 -13.379 411 HD1 PHE 58 HD2 PHE 58 9.078 18.770 -10.784 412 HD2 PHE 58 HD1 PHE 58 7.450 21.131 -13.930 413 HE1 PHE 58 HE2 PHE 58 6.925 17.605 -10.540 414 HE2 PHE 58 HE1 PHE 58 5.294 19.971 -13.689 415 HZ PHE 58 HZ PHE 58 5.029 18.204 -11.993 416 H LYS 59 H LYS 59 9.969 17.457 -12.444 417 HA LYS 59 HA LYS 59 9.476 17.025 -15.277 418 HB2 LYS 59 HB2 LYS 59 10.686 14.846 -15.248 419 HB3 LYS 59 HB3 LYS 59 11.745 16.243 -15.105 420 HG2 LYS 59 HG2 LYS 59 12.182 15.834 -12.852 421 HG3 LYS 59 HG3 LYS 59 10.786 14.768 -12.681 422 HD2 LYS 59 HD2 LYS 59 13.184 14.151 -14.403 423 HD3 LYS 59 HD3 LYS 59 12.988 13.587 -12.742 424 HE2 LYS 59 HE2 LYS 59 10.605 12.973 -14.144 425 HE3 LYS 59 HE3 LYS 59 11.958 12.462 -15.151 426 HZ1 LYS 59 HZ1 LYS 59 11.002 10.869 -13.367 427 HZ2 LYS 59 HZ2 LYS 59 11.942 11.775 -12.292 428 HZ3 LYS 59 HZ3 LYS 59 12.677 10.967 -13.583 429 H THR 60 H THR 60 7.989 15.367 -15.702 430 HA THR 60 HA THR 60 6.175 14.827 -13.541 431 HB THR 60 HB THR 60 6.069 13.736 -16.358 432 HG1 THR 60 HG1 THR 60 5.211 15.606 -16.957 433 HG21 THR 60 HG21 THR 60 3.502 14.124 -15.470 434 HG22 THR 60 HG22 THR 60 4.328 13.567 -14.014 435 HG23 THR 60 HG23 THR 60 4.357 12.582 -15.476 436 H TYR 61 H TYR 61 5.608 12.825 -12.684 437 HA TYR 61 HA TYR 61 6.693 10.357 -13.507 438 HB2 TYR 61 HB2 TYR 61 8.757 11.504 -12.583 439 HB3 TYR 61 HB3 TYR 61 7.987 11.437 -11.001 440 HD1 TYR 61 HD1 TYR 61 9.335 9.376 -13.760 441 HD2 TYR 61 HD2 TYR 61 7.971 9.432 -9.730 442 HE1 TYR 61 HE1 TYR 61 10.214 7.101 -13.437 443 HE2 TYR 61 HE2 TYR 61 8.847 7.158 -9.396 444 HH TYR 61 HH TYR 61 9.863 5.421 -10.325 445 H GLY 62 H GLY 62 4.533 9.763 -13.189 446 HA2 GLY 62 HA2 GLY 62 3.764 8.337 -11.079 447 HA3 GLY 62 HA3 GLY 62 3.409 9.960 -10.508 448 H CYS 63 H CYS 63 1.188 9.364 -10.372 449 HA CYS 63 HA CYS 63 -0.152 9.104 -12.981 450 HB2 CYS 63 HB2 CYS 63 -0.428 7.326 -11.096 451 HB3 CYS 63 HB3 CYS 63 -1.490 8.519 -10.357 452 HG CYS 63 HG CYS 63 -1.959 7.315 -13.524 453 H GLY 64 H GLY 64 0.795 11.595 -11.713 454 HA2 GLY 64 HA2 GLY 64 -1.792 12.921 -11.204 455 HA3 GLY 64 HA3 GLY 64 -0.235 13.511 -10.641 456 H SER 65 H SER 65 0.952 12.832 -13.323 457 HA SER 65 HA SER 65 1.425 13.903 -15.274 458 HB2 SER 65 HB2 SER 65 -1.423 14.905 -15.262 459 HB3 SER 65 HB3 SER 65 -0.383 14.609 -16.655 460 HG SER 65 HG SER 65 -0.917 12.575 -16.605 461 H ALA 66 H ALA 66 1.225 16.181 -16.379 462 HA ALA 66 HA ALA 66 2.420 18.047 -14.676 463 HB1 ALA 66 HB1 ALA 66 2.062 19.663 -16.531 464 HB2 ALA 66 HB2 ALA 66 2.798 18.144 -17.043 465 HB3 ALA 66 HB3 ALA 66 1.088 18.443 -17.350 466 H ILE 67 H ILE 67 1.636 19.483 -13.276 467 HA ILE 67 HA ILE 67 -1.130 20.405 -13.548 468 HB ILE 67 HB ILE 67 -1.432 20.155 -11.063 469 HG12 ILE 67 HG12 ILE 67 0.952 18.312 -11.350 470 HG13 ILE 67 HG13 ILE 67 0.954 19.854 -10.501 471 HG21 ILE 67 HG21 ILE 67 -2.176 17.885 -11.201 472 HG22 ILE 67 HG22 ILE 67 -2.429 18.642 -12.773 473 HG23 ILE 67 HG23 ILE 67 -1.066 17.549 -12.530 474 HD11 ILE 67 HD11 ILE 67 -0.052 17.233 -9.659 475 HD12 ILE 67 HD12 ILE 67 0.587 18.571 -8.705 476 HD13 ILE 67 HD13 ILE 67 -1.087 18.603 -9.257 477 H ALA 68 H ALA 68 -1.580 22.384 -12.462 478 HA ALA 68 HA ALA 68 0.486 24.277 -12.575 479 HB1 ALA 68 HB1 ALA 68 -2.248 24.383 -11.322 480 HB2 ALA 68 HB2 ALA 68 -1.164 25.773 -11.401 481 HB3 ALA 68 HB3 ALA 68 -1.743 25.021 -12.887 482 H SER 69 H SER 69 -0.669 22.264 -9.981 483 HA SER 69 HA SER 69 0.164 23.589 -7.727 484 HB2 SER 69 HB2 SER 69 0.572 20.626 -8.170 485 HB3 SER 69 HB3 SER 69 0.305 21.453 -6.635 486 HG SER 69 HG SER 69 -1.758 22.143 -7.841 487 H SER 70 H SER 70 2.119 21.727 -9.999 488 HA SER 70 HA SER 70 4.535 22.152 -8.457 489 HB2 SER 70 HB2 SER 70 3.934 20.749 -11.055 490 HB3 SER 70 HB3 SER 70 5.590 21.016 -10.512 491 HG SER 70 HG SER 70 4.051 19.043 -9.835 492 H SER 71 H SER 71 3.092 23.300 -11.468 493 HA SER 71 HA SER 71 5.187 24.735 -12.540 494 HB2 SER 71 HB2 SER 71 2.980 24.420 -13.634 495 HB3 SER 71 HB3 SER 71 2.282 25.589 -12.513 496 HG SER 71 HG SER 71 4.365 26.092 -14.377 497 H LEU 72 H LEU 72 3.132 25.537 -9.826 498 HA LEU 72 HA LEU 72 4.159 28.238 -9.628 499 HB2 LEU 72 HB2 LEU 72 2.587 28.592 -7.977 500 HB3 LEU 72 HB3 LEU 72 1.798 27.403 -9.010 501 HG LEU 72 HG LEU 72 2.873 25.725 -7.253 502 HD11 LEU 72 HD11 LEU 72 2.983 28.380 -5.968 503 HD12 LEU 72 HD12 LEU 72 3.947 26.932 -5.676 504 HD13 LEU 72 HD13 LEU 72 2.325 27.063 -4.996 505 HD21 LEU 72 HD21 LEU 72 0.716 25.325 -6.934 506 HD22 LEU 72 HD22 LEU 72 0.335 26.853 -7.729 507 HD23 LEU 72 HD23 LEU 72 0.552 26.799 -5.979 508 H VAL 73 H VAL 73 4.668 25.115 -8.130 509 HA VAL 73 HA VAL 73 6.128 25.946 -5.877 510 HB VAL 73 HB VAL 73 6.226 23.370 -7.444 511 HG11 VAL 73 HG11 VAL 73 8.340 23.535 -6.365 512 HG12 VAL 73 HG12 VAL 73 7.602 24.113 -4.870 513 HG13 VAL 73 HG13 VAL 73 7.346 22.448 -5.394 514 HG21 VAL 73 HG21 VAL 73 4.247 24.349 -5.862 515 HG22 VAL 73 HG22 VAL 73 4.555 22.633 -6.130 516 HG23 VAL 73 HG23 VAL 73 5.198 23.430 -4.694 517 H THR 74 H THR 74 7.109 25.252 -9.192 518 HA THR 74 HA THR 74 9.903 25.385 -8.738 519 HB THR 74 HB THR 74 10.087 25.686 -11.197 520 HG1 THR 74 HG1 THR 74 8.232 26.879 -11.633 521 HG21 THR 74 HG21 THR 74 10.054 23.442 -10.638 522 HG22 THR 74 HG22 THR 74 8.685 23.549 -11.746 523 HG23 THR 74 HG23 THR 74 8.411 23.517 -10.004 524 H GLU 75 H GLU 75 7.543 27.772 -9.906 525 HA GLU 75 HA GLU 75 9.391 29.862 -10.309 526 HB2 GLU 75 HB2 GLU 75 6.464 30.135 -9.613 527 HB3 GLU 75 HB3 GLU 75 7.470 31.324 -10.428 528 HG2 GLU 75 HG2 GLU 75 7.011 28.606 -11.598 529 HG3 GLU 75 HG3 GLU 75 5.863 29.922 -11.838 530 H TRP 76 H TRP 76 7.856 28.613 -7.471 531 HA TRP 76 HA TRP 76 8.306 30.942 -5.849 532 HB2 TRP 76 HB2 TRP 76 6.933 28.434 -5.583 533 HB3 TRP 76 HB3 TRP 76 7.994 28.667 -4.197 534 HD1 TRP 76 HD1 TRP 76 4.604 29.017 -4.652 535 HE1 TRP 76 HE1 TRP 76 3.567 31.059 -3.479 536 HE3 TRP 76 HE3 TRP 76 8.850 31.763 -3.903 537 HZ2 TRP 76 HZ2 TRP 76 4.435 33.511 -2.381 538 HZ3 TRP 76 HZ3 TRP 76 8.660 33.946 -2.784 539 HH2 TRP 76 HH2 TRP 76 6.497 34.801 -2.040 540 H VAL 77 H VAL 77 9.860 27.779 -6.240 541 HA VAL 77 HA VAL 77 11.864 28.257 -4.266 542 HB VAL 77 HB VAL 77 12.988 26.270 -5.221 543 HG11 VAL 77 HG11 VAL 77 10.588 24.908 -5.090 544 HG12 VAL 77 HG12 VAL 77 11.630 25.320 -3.727 545 HG13 VAL 77 HG13 VAL 77 10.286 26.377 -4.162 546 HG21 VAL 77 HG21 VAL 77 11.849 25.016 -7.019 547 HG22 VAL 77 HG22 VAL 77 10.740 26.370 -7.231 548 HG23 VAL 77 HG23 VAL 77 12.460 26.579 -7.561 549 H LYS 78 H LYS 78 11.662 28.679 -7.752 550 HA LYS 78 HA LYS 78 14.369 29.140 -8.293 551 HB2 LYS 78 HB2 LYS 78 11.814 29.576 -9.647 552 HB3 LYS 78 HB3 LYS 78 13.027 30.779 -10.066 553 HG2 LYS 78 HG2 LYS 78 14.438 28.438 -10.232 554 HG3 LYS 78 HG3 LYS 78 12.837 27.969 -10.810 555 HD2 LYS 78 HD2 LYS 78 14.370 30.357 -11.830 556 HD3 LYS 78 HD3 LYS 78 14.388 28.769 -12.599 557 HE2 LYS 78 HE2 LYS 78 12.572 29.372 -13.729 558 HE3 LYS 78 HE3 LYS 78 11.689 29.378 -12.204 559 HZ1 LYS 78 HZ1 LYS 78 12.711 31.610 -13.765 560 HZ2 LYS 78 HZ2 LYS 78 12.835 31.759 -12.085 561 HZ3 LYS 78 HZ3 LYS 78 11.324 31.507 -12.801 562 H GLY 79 H GLY 79 15.478 30.496 -6.978 563 HA2 GLY 79 HA2 GLY 79 16.287 32.746 -6.778 564 HA3 GLY 79 HA3 GLY 79 14.643 33.317 -7.023 565 H LYS 80 H LYS 80 14.158 30.848 -5.038 566 HA LYS 80 HA LYS 80 13.862 32.536 -2.734 567 HB2 LYS 80 HB2 LYS 80 12.653 30.207 -3.652 568 HB3 LYS 80 HB3 LYS 80 13.552 29.685 -2.234 569 HG2 LYS 80 HG2 LYS 80 11.316 30.279 -1.592 570 HG3 LYS 80 HG3 LYS 80 12.447 31.456 -0.919 571 HD2 LYS 80 HD2 LYS 80 11.461 32.195 -3.562 572 HD3 LYS 80 HD3 LYS 80 10.176 32.040 -2.362 573 HE2 LYS 80 HE2 LYS 80 10.822 33.887 -1.272 574 HE3 LYS 80 HE3 LYS 80 12.529 33.456 -1.371 575 HZ1 LYS 80 HZ1 LYS 80 12.058 34.114 -3.894 576 HZ2 LYS 80 HZ2 LYS 80 12.569 35.232 -2.733 577 HZ3 LYS 80 HZ3 LYS 80 10.930 35.122 -3.138 578 H SER 81 H SER 81 14.421 30.912 -0.604 579 HA SER 81 HA SER 81 17.317 30.420 -0.798 580 HB2 SER 81 HB2 SER 81 16.020 31.640 1.638 581 HB3 SER 81 HB3 SER 81 17.738 31.539 1.252 582 HG SER 81 HG SER 81 15.829 33.042 -0.216 583 H LEU 82 H LEU 82 18.140 29.092 1.051 584 HA LEU 82 HA LEU 82 16.836 26.649 1.197 585 HB2 LEU 82 HB2 LEU 82 18.748 27.734 3.254 586 HB3 LEU 82 HB3 LEU 82 18.417 26.040 2.899 587 HG LEU 82 HG LEU 82 19.784 27.983 1.037 588 HD11 LEU 82 HD11 LEU 82 21.818 26.863 1.555 589 HD12 LEU 82 HD12 LEU 82 20.979 25.664 2.539 590 HD13 LEU 82 HD13 LEU 82 21.075 27.338 3.083 591 HD21 LEU 82 HD21 LEU 82 18.964 26.484 -0.453 592 HD22 LEU 82 HD22 LEU 82 18.788 25.210 0.754 593 HD23 LEU 82 HD23 LEU 82 20.375 25.565 0.070 594 H ASP 83 H ASP 83 16.795 29.355 3.476 595 HA ASP 83 HA ASP 83 15.062 27.971 5.321 596 HB2 ASP 83 HB2 ASP 83 16.518 30.526 5.249 597 HB3 ASP 83 HB3 ASP 83 14.963 30.602 6.073 598 H GLU 84 H GLU 84 14.739 30.722 3.089 599 HA GLU 84 HA GLU 84 12.095 31.372 3.554 600 HB2 GLU 84 HB2 GLU 84 13.863 31.563 1.148 601 HB3 GLU 84 HB3 GLU 84 12.156 31.954 0.991 602 HG2 GLU 84 HG2 GLU 84 14.116 33.258 2.865 603 HG3 GLU 84 HG3 GLU 84 13.463 33.951 1.382 604 H ALA 85 H ALA 85 13.366 29.039 1.185 605 HA ALA 85 HA ALA 85 10.875 28.197 0.194 606 HB1 ALA 85 HB1 ALA 85 13.619 27.012 0.199 607 HB2 ALA 85 HB2 ALA 85 12.247 26.071 -0.390 608 HB3 ALA 85 HB3 ALA 85 12.656 27.607 -1.154 609 H GLN 86 H GLN 86 12.869 26.991 2.857 610 HA GLN 86 HA GLN 86 11.137 24.790 3.445 611 HB2 GLN 86 HB2 GLN 86 13.689 25.235 4.037 612 HB3 GLN 86 HB3 GLN 86 12.984 25.897 5.506 613 HG2 GLN 86 HG2 GLN 86 11.659 23.547 5.324 614 HG3 GLN 86 HG3 GLN 86 13.207 23.117 4.600 615 HE21 GLN 86 HE21 GLN 86 12.224 25.218 7.287 616 HE22 GLN 86 HE22 GLN 86 13.275 24.501 8.456 617 H ALA 87 H ALA 87 10.833 28.071 3.903 618 HA ALA 87 HA ALA 87 9.348 27.865 6.409 619 HB1 ALA 87 HB1 ALA 87 10.527 30.080 4.837 620 HB2 ALA 87 HB2 ALA 87 9.086 30.444 5.786 621 HB3 ALA 87 HB3 ALA 87 10.523 29.798 6.578 622 H ILE 88 H ILE 88 8.809 27.903 3.032 623 HA ILE 88 HA ILE 88 6.357 29.124 2.736 624 HB ILE 88 HB ILE 88 7.293 26.587 1.389 625 HG12 ILE 88 HG12 ILE 88 7.437 29.441 0.403 626 HG13 ILE 88 HG13 ILE 88 8.779 28.610 1.182 627 HG21 ILE 88 HG21 ILE 88 5.135 28.536 0.590 628 HG22 ILE 88 HG22 ILE 88 5.709 27.184 -0.386 629 HG23 ILE 88 HG23 ILE 88 4.894 26.880 1.148 630 HD11 ILE 88 HD11 ILE 88 7.562 27.210 -1.100 631 HD12 ILE 88 HD12 ILE 88 8.417 28.708 -1.471 632 HD13 ILE 88 HD13 ILE 88 9.256 27.395 -0.645 633 H LYS 89 H LYS 89 4.227 28.516 2.963 634 HA LYS 89 HA LYS 89 3.760 26.116 4.609 635 HB2 LYS 89 HB2 LYS 89 2.143 28.670 4.514 636 HB3 LYS 89 HB3 LYS 89 1.809 27.278 5.535 637 HG2 LYS 89 HG2 LYS 89 4.235 29.055 5.681 638 HG3 LYS 89 HG3 LYS 89 2.880 29.028 6.812 639 HD2 LYS 89 HD2 LYS 89 3.424 26.702 7.387 640 HD3 LYS 89 HD3 LYS 89 4.793 26.755 6.274 641 HE2 LYS 89 HE2 LYS 89 6.078 27.701 7.820 642 HE3 LYS 89 HE3 LYS 89 4.901 28.989 8.072 643 HZ1 LYS 89 HZ1 LYS 89 5.222 26.456 9.524 644 HZ2 LYS 89 HZ2 LYS 89 3.685 27.158 9.435 645 HZ3 LYS 89 HZ3 LYS 89 4.967 28.016 10.129 646 H ASN 90 H ASN 90 2.293 24.641 3.951 647 HA ASN 90 HA ASN 90 1.546 24.368 1.327 648 HB2 ASN 90 HB2 ASN 90 -0.021 22.668 2.052 649 HB3 ASN 90 HB3 ASN 90 1.428 22.575 3.050 650 HD21 ASN 90 HD21 ASN 90 -1.895 23.689 2.944 651 HD22 ASN 90 HD22 ASN 90 -2.146 23.691 4.654 652 H THR 91 H THR 91 -0.088 26.128 3.873 653 HA THR 91 HA THR 91 -2.601 26.481 2.763 654 HB THR 91 HB THR 91 -2.091 27.234 5.019 655 HG1 THR 91 HG1 THR 91 -3.350 29.041 4.920 656 HG21 THR 91 HG21 THR 91 -0.489 28.732 5.575 657 HG22 THR 91 HG22 THR 91 -0.784 29.731 4.152 658 HG23 THR 91 HG23 THR 91 0.195 28.271 4.017 659 H ASP 92 H ASP 92 0.409 28.178 2.080 660 HA ASP 92 HA ASP 92 -0.755 30.181 0.427 661 HB2 ASP 92 HB2 ASP 92 1.927 29.379 1.260 662 HB3 ASP 92 HB3 ASP 92 1.872 29.939 -0.409 663 H ILE 93 H ILE 93 0.598 26.990 -0.156 664 HA ILE 93 HA ILE 93 0.543 27.216 -3.011 665 HB ILE 93 HB ILE 93 0.807 24.809 -1.210 666 HG12 ILE 93 HG12 ILE 93 3.169 24.933 -2.323 667 HG13 ILE 93 HG13 ILE 93 2.728 26.604 -2.658 668 HG21 ILE 93 HG21 ILE 93 1.802 24.084 -3.663 669 HG22 ILE 93 HG22 ILE 93 0.237 23.609 -3.004 670 HG23 ILE 93 HG23 ILE 93 0.354 25.000 -4.081 671 HD11 ILE 93 HD11 ILE 93 3.967 25.751 -0.411 672 HD12 ILE 93 HD12 ILE 93 3.009 27.228 -0.530 673 HD13 ILE 93 HD13 ILE 93 2.282 25.753 0.108 674 H ALA 94 H ALA 94 -1.644 26.036 -0.540 675 HA ALA 94 HA ALA 94 -3.428 24.660 -2.255 676 HB1 ALA 94 HB1 ALA 94 -4.972 25.469 -0.133 677 HB2 ALA 94 HB2 ALA 94 -4.003 23.996 -0.201 678 HB3 ALA 94 HB3 ALA 94 -3.345 25.451 0.548 679 H GLU 95 H GLU 95 -3.575 27.918 -0.817 680 HA GLU 95 HA GLU 95 -5.949 28.647 -2.213 681 HB2 GLU 95 HB2 GLU 95 -5.553 30.881 -1.354 682 HB3 GLU 95 HB3 GLU 95 -5.267 29.697 -0.086 683 HG2 GLU 95 HG2 GLU 95 -3.288 30.610 0.260 684 HG3 GLU 95 HG3 GLU 95 -2.797 30.083 -1.348 685 H GLU 96 H GLU 96 -2.597 28.644 -3.005 686 HA GLU 96 HA GLU 96 -2.366 30.671 -4.860 687 HB2 GLU 96 HB2 GLU 96 -0.988 28.163 -4.297 688 HB3 GLU 96 HB3 GLU 96 -0.934 28.593 -6.001 689 HG2 GLU 96 HG2 GLU 96 -0.272 30.662 -3.967 690 HG3 GLU 96 HG3 GLU 96 0.914 29.413 -4.346 691 H LEU 97 H LEU 97 -3.465 27.336 -5.433 692 HA LEU 97 HA LEU 97 -4.649 28.260 -7.968 693 HB2 LEU 97 HB2 LEU 97 -3.765 25.463 -7.283 694 HB3 LEU 97 HB3 LEU 97 -4.379 26.025 -8.836 695 HG LEU 97 HG LEU 97 -1.864 27.176 -7.682 696 HD11 LEU 97 HD11 LEU 97 -0.575 25.500 -8.878 697 HD12 LEU 97 HD12 LEU 97 -2.059 24.673 -9.352 698 HD13 LEU 97 HD13 LEU 97 -1.593 24.742 -7.653 699 HD21 LEU 97 HD21 LEU 97 -2.949 28.267 -9.607 700 HD22 LEU 97 HD22 LEU 97 -2.816 26.760 -10.514 701 HD23 LEU 97 HD23 LEU 97 -1.359 27.615 -10.007 702 H GLU 98 H GLU 98 -5.467 27.608 -4.924 703 HA GLU 98 HA GLU 98 -7.340 26.903 -3.831 704 HB2 GLU 98 HB2 GLU 98 -8.397 27.884 -6.463 705 HB3 GLU 98 HB3 GLU 98 -9.489 27.198 -5.269 706 HG2 GLU 98 HG2 GLU 98 -8.050 28.976 -3.777 707 HG3 GLU 98 HG3 GLU 98 -8.170 29.796 -5.333 708 H LEU 99 H LEU 99 -6.033 24.741 -4.383 709 HA LEU 99 HA LEU 99 -6.975 22.856 -6.160 710 HB2 LEU 99 HB2 LEU 99 -5.680 22.704 -3.483 711 HB3 LEU 99 HB3 LEU 99 -6.320 21.225 -4.197 712 HG LEU 99 HG LEU 99 -3.878 21.598 -4.564 713 HD11 LEU 99 HD11 LEU 99 -5.369 20.209 -6.040 714 HD12 LEU 99 HD12 LEU 99 -3.894 20.810 -6.796 715 HD13 LEU 99 HD13 LEU 99 -5.439 21.590 -7.135 716 HD21 LEU 99 HD21 LEU 99 -4.715 23.716 -6.524 717 HD22 LEU 99 HD22 LEU 99 -3.087 23.284 -6.000 718 HD23 LEU 99 HD23 LEU 99 -4.185 24.102 -4.887 719 HA PRO 100 HA PRO 100 -11.034 21.775 -4.863 720 HB2 PRO 100 HB2 PRO 100 -11.149 19.221 -5.777 721 HB3 PRO 100 HB3 PRO 100 -11.209 20.627 -6.846 722 HG2 PRO 100 HG2 PRO 100 -8.892 18.855 -6.177 723 HG3 PRO 100 HG3 PRO 100 -9.382 19.509 -7.750 724 HD2 PRO 100 HD2 PRO 100 -7.377 20.588 -6.285 725 HD3 PRO 100 HD3 PRO 100 -8.424 21.564 -7.336 726 HA PRO 101 HA PRO 101 -10.783 19.698 -0.986 727 HB2 PRO 101 HB2 PRO 101 -13.360 18.891 -0.713 728 HB3 PRO 101 HB3 PRO 101 -12.858 20.576 -0.536 729 HG2 PRO 101 HG2 PRO 101 -14.093 19.205 -2.893 730 HG3 PRO 101 HG3 PRO 101 -14.453 20.803 -2.213 731 HD2 PRO 101 HD2 PRO 101 -12.903 20.469 -4.407 732 HD3 PRO 101 HD3 PRO 101 -12.646 21.790 -3.249 733 H VAL 102 H VAL 102 -11.398 18.091 -3.891 734 HA VAL 102 HA VAL 102 -12.054 15.501 -2.999 735 HB VAL 102 HB VAL 102 -12.362 16.010 -5.310 736 HG11 VAL 102 HG11 VAL 102 -9.706 16.100 -6.329 737 HG12 VAL 102 HG12 VAL 102 -10.970 17.327 -6.429 738 HG13 VAL 102 HG13 VAL 102 -9.861 17.311 -5.057 739 HG21 VAL 102 HG21 VAL 102 -11.411 14.109 -6.336 740 HG22 VAL 102 HG22 VAL 102 -10.013 14.131 -5.261 741 HG23 VAL 102 HG23 VAL 102 -11.601 13.687 -4.634 742 H LYS 103 H LYS 103 -8.997 17.183 -3.347 743 HA LYS 103 HA LYS 103 -7.685 15.246 -1.676 744 HB2 LYS 103 HB2 LYS 103 -5.836 14.865 -3.374 745 HB3 LYS 103 HB3 LYS 103 -7.354 14.031 -3.680 746 HG2 LYS 103 HG2 LYS 103 -7.954 15.892 -5.246 747 HG3 LYS 103 HG3 LYS 103 -6.308 16.496 -5.048 748 HD2 LYS 103 HD2 LYS 103 -5.545 14.166 -5.747 749 HD3 LYS 103 HD3 LYS 103 -7.213 13.895 -6.257 750 HE2 LYS 103 HE2 LYS 103 -7.098 15.576 -7.893 751 HE3 LYS 103 HE3 LYS 103 -5.638 16.274 -7.195 752 HZ1 LYS 103 HZ1 LYS 103 -5.376 13.520 -8.028 753 HZ2 LYS 103 HZ2 LYS 103 -4.338 14.831 -8.280 754 HZ3 LYS 103 HZ3 LYS 103 -5.672 14.604 -9.293 755 H ILE 104 H ILE 104 -7.967 17.613 -0.797 756 HA ILE 104 HA ILE 104 -6.417 19.736 -1.628 757 HB ILE 104 HB ILE 104 -7.006 18.928 1.223 758 HG12 ILE 104 HG12 ILE 104 -9.002 19.221 -0.237 759 HG13 ILE 104 HG13 ILE 104 -8.917 20.406 1.062 760 HG21 ILE 104 HG21 ILE 104 -5.824 21.387 0.012 761 HG22 ILE 104 HG22 ILE 104 -6.813 21.518 1.465 762 HG23 ILE 104 HG23 ILE 104 -5.359 20.519 1.476 763 HD11 ILE 104 HD11 ILE 104 -8.198 22.105 -0.443 764 HD12 ILE 104 HD12 ILE 104 -8.010 20.938 -1.753 765 HD13 ILE 104 HD13 ILE 104 -9.617 21.322 -1.137 766 H HIS 105 H HIS 105 -5.432 16.798 -0.057 767 HA HIS 105 HA HIS 105 -2.979 17.543 1.019 768 HB2 HIS 105 HB2 HIS 105 -4.360 15.188 0.766 769 HB3 HIS 105 HB3 HIS 105 -2.978 14.912 -0.289 770 HD1 HIS 105 HD1 HIS 105 -2.947 16.794 2.999 771 HD2 HIS 105 HD2 HIS 105 -1.466 13.299 1.310 772 HE1 HIS 105 HE1 HIS 105 -1.390 15.824 4.719 773 H CYS 106 H CYS 106 -3.944 17.215 -2.272 774 HA CYS 106 HA CYS 106 -1.512 16.682 -3.525 775 HB2 CYS 106 HB2 CYS 106 -4.057 17.996 -4.333 776 HB3 CYS 106 HB3 CYS 106 -2.657 18.243 -5.369 777 HG CYS 106 HG CYS 106 -2.264 15.324 -5.447 778 H SER 107 H SER 107 -2.633 19.530 -1.939 779 HA SER 107 HA SER 107 -0.617 21.229 -3.172 780 HB2 SER 107 HB2 SER 107 -1.853 22.990 -2.451 781 HB3 SER 107 HB3 SER 107 -3.117 21.778 -2.237 782 HG SER 107 HG SER 107 -1.553 23.083 -0.339 783 H ILE 108 H ILE 108 -1.140 19.408 -0.269 784 HA ILE 108 HA ILE 108 0.788 20.716 1.358 785 HB ILE 108 HB ILE 108 -0.081 17.842 1.623 786 HG12 ILE 108 HG12 ILE 108 -2.075 19.244 1.405 787 HG13 ILE 108 HG13 ILE 108 -1.905 18.667 3.059 788 HG21 ILE 108 HG21 ILE 108 1.684 18.277 3.104 789 HG22 ILE 108 HG22 ILE 108 1.074 19.884 3.495 790 HG23 ILE 108 HG23 ILE 108 0.227 18.454 4.081 791 HD11 ILE 108 HD11 ILE 108 -2.472 20.865 3.378 792 HD12 ILE 108 HD12 ILE 108 -0.711 20.947 3.433 793 HD13 ILE 108 HD13 ILE 108 -1.570 21.415 1.966 794 H LEU 109 H LEU 109 0.968 18.288 -1.110 795 HA LEU 109 HA LEU 109 3.574 17.326 -0.380 796 HB2 LEU 109 HB2 LEU 109 1.732 16.935 -2.697 797 HB3 LEU 109 HB3 LEU 109 3.417 16.438 -2.833 798 HG LEU 109 HG LEU 109 2.491 15.332 -0.429 799 HD11 LEU 109 HD11 LEU 109 0.392 15.441 -2.514 800 HD12 LEU 109 HD12 LEU 109 0.248 15.366 -0.758 801 HD13 LEU 109 HD13 LEU 109 0.623 13.907 -1.675 802 HD21 LEU 109 HD21 LEU 109 2.565 13.212 -1.964 803 HD22 LEU 109 HD22 LEU 109 4.043 14.098 -1.589 804 HD23 LEU 109 HD23 LEU 109 3.238 14.341 -3.140 805 H ALA 110 H ALA 110 2.287 19.840 -2.422 806 HA ALA 110 HA ALA 110 4.522 20.321 -4.046 807 HB1 ALA 110 HB1 ALA 110 2.034 21.658 -3.413 808 HB2 ALA 110 HB2 ALA 110 3.355 22.803 -3.652 809 HB3 ALA 110 HB3 ALA 110 2.955 21.640 -4.916 810 H GLU 111 H GLU 111 3.663 21.540 -0.838 811 HA GLU 111 HA GLU 111 6.028 23.197 -0.692 812 HB2 GLU 111 HB2 GLU 111 5.241 23.789 1.534 813 HB3 GLU 111 HB3 GLU 111 3.930 23.917 0.370 814 HG2 GLU 111 HG2 GLU 111 2.689 22.478 1.501 815 HG3 GLU 111 HG3 GLU 111 3.990 21.289 1.531 816 H ASP 112 H ASP 112 5.115 19.986 0.129 817 HA ASP 112 HA ASP 112 7.210 19.604 2.082 818 HB2 ASP 112 HB2 ASP 112 5.210 17.758 0.786 819 HB3 ASP 112 HB3 ASP 112 6.483 17.159 1.847 820 H ALA 113 H ALA 113 6.838 19.339 -1.329 821 HA ALA 113 HA ALA 113 8.917 17.455 -1.816 822 HB1 ALA 113 HB1 ALA 113 7.707 19.526 -3.645 823 HB2 ALA 113 HB2 ALA 113 8.759 18.202 -4.148 824 HB3 ALA 113 HB3 ALA 113 7.174 17.855 -3.459 825 H ILE 114 H ILE 114 8.774 21.006 -2.105 826 HA ILE 114 HA ILE 114 11.403 21.451 -2.871 827 HB ILE 114 HB ILE 114 11.157 23.713 -2.093 828 HG12 ILE 114 HG12 ILE 114 8.749 22.710 -0.559 829 HG13 ILE 114 HG13 ILE 114 10.271 23.247 0.142 830 HG21 ILE 114 HG21 ILE 114 8.444 22.790 -3.019 831 HG22 ILE 114 HG22 ILE 114 9.194 24.364 -3.280 832 HG23 ILE 114 HG23 ILE 114 9.847 22.934 -4.079 833 HD11 ILE 114 HD11 ILE 114 8.559 24.952 0.338 834 HD12 ILE 114 HD12 ILE 114 9.868 25.496 -0.713 835 HD13 ILE 114 HD13 ILE 114 8.342 24.955 -1.412 836 H LYS 115 H LYS 115 10.066 20.787 0.292 837 HA LYS 115 HA LYS 115 12.384 21.528 1.778 838 HB2 LYS 115 HB2 LYS 115 9.751 20.664 2.351 839 HB3 LYS 115 HB3 LYS 115 10.839 19.522 3.130 840 HG2 LYS 115 HG2 LYS 115 11.624 21.057 4.601 841 HG3 LYS 115 HG3 LYS 115 11.442 22.399 3.470 842 HD2 LYS 115 HD2 LYS 115 9.014 21.033 4.552 843 HD3 LYS 115 HD3 LYS 115 9.871 22.211 5.548 844 HE2 LYS 115 HE2 LYS 115 9.344 23.965 4.165 845 HE3 LYS 115 HE3 LYS 115 9.198 22.938 2.740 846 HZ1 LYS 115 HZ1 LYS 115 7.196 23.718 4.646 847 HZ2 LYS 115 HZ2 LYS 115 7.206 22.053 4.347 848 HZ3 LYS 115 HZ3 LYS 115 7.016 23.141 3.066 849 H ALA 116 H ALA 116 11.422 18.707 0.023 850 HA ALA 116 HA ALA 116 13.212 16.885 1.315 851 HB1 ALA 116 HB1 ALA 116 11.292 15.966 0.253 852 HB2 ALA 116 HB2 ALA 116 11.697 16.735 -1.282 853 HB3 ALA 116 HB3 ALA 116 12.702 15.426 -0.659 854 H ALA 117 H ALA 117 13.469 19.198 -1.247 855 HA ALA 117 HA ALA 117 15.902 18.076 -2.337 856 HB1 ALA 117 HB1 ALA 117 14.592 20.736 -2.890 857 HB2 ALA 117 HB2 ALA 117 15.895 19.998 -3.822 858 HB3 ALA 117 HB3 ALA 117 14.301 19.244 -3.785 859 H ILE 118 H ILE 118 14.969 20.715 -0.197 860 HA ILE 118 HA ILE 118 17.537 21.911 -0.031 861 HB ILE 118 HB ILE 118 15.212 22.031 1.892 862 HG12 ILE 118 HG12 ILE 118 16.147 23.932 -0.269 863 HG13 ILE 118 HG13 ILE 118 14.699 22.934 -0.322 864 HG21 ILE 118 HG21 ILE 118 17.716 23.707 1.771 865 HG22 ILE 118 HG22 ILE 118 16.319 24.037 2.795 866 HG23 ILE 118 HG23 ILE 118 17.271 22.574 3.046 867 HD11 ILE 118 HD11 ILE 118 15.104 25.532 0.850 868 HD12 ILE 118 HD12 ILE 118 13.604 24.666 0.512 869 HD13 ILE 118 HD13 ILE 118 14.460 24.388 2.028 870 H ALA 119 H ALA 119 16.007 19.245 1.605 871 HA ALA 119 HA ALA 119 17.891 19.116 3.765 872 HB1 ALA 119 HB1 ALA 119 15.498 17.684 2.937 873 HB2 ALA 119 HB2 ALA 119 16.738 16.622 3.606 874 HB3 ALA 119 HB3 ALA 119 16.139 17.983 4.553 875 H ASP 120 H ASP 120 17.822 18.033 0.508 876 HA ASP 120 HA ASP 120 19.773 15.932 0.883 877 HB2 ASP 120 HB2 ASP 120 17.880 16.477 -1.058 878 HB3 ASP 120 HB3 ASP 120 19.398 16.879 -1.856 879 H TYR 121 H TYR 121 19.702 19.264 -0.240 880 HA TYR 121 HA TYR 121 22.300 19.388 -1.300 881 HB2 TYR 121 HB2 TYR 121 20.779 21.154 -1.809 882 HB3 TYR 121 HB3 TYR 121 20.510 21.504 -0.106 883 HD1 TYR 121 HD2 TYR 121 23.734 20.972 -1.887 884 HD2 TYR 121 HD1 TYR 121 21.190 23.727 0.123 885 HE1 TYR 121 HE2 TYR 121 25.519 22.663 -1.957 886 HE2 TYR 121 HE1 TYR 121 22.968 25.426 0.058 887 HH TYR 121 HH TYR 121 25.065 25.876 -0.512 888 H LYS 122 H LYS 122 21.087 20.225 1.938 889 HA LYS 122 HA LYS 122 23.563 20.978 3.030 890 HB2 LYS 122 HB2 LYS 122 21.304 19.726 4.586 891 HB3 LYS 122 HB3 LYS 122 22.500 20.881 5.159 892 HG2 LYS 122 HG2 LYS 122 21.262 22.191 3.060 893 HG3 LYS 122 HG3 LYS 122 19.949 21.336 3.873 894 HD2 LYS 122 HD2 LYS 122 21.870 22.717 5.635 895 HD3 LYS 122 HD3 LYS 122 20.863 23.761 4.629 896 HE2 LYS 122 HE2 LYS 122 19.071 23.381 5.896 897 HE3 LYS 122 HE3 LYS 122 19.311 21.636 5.823 898 HZ1 LYS 122 HZ1 LYS 122 20.167 21.625 7.858 899 HZ2 LYS 122 HZ2 LYS 122 19.629 23.220 8.025 900 HZ3 LYS 122 HZ3 LYS 122 21.215 22.911 7.526 901 H SER 123 H SER 123 22.250 17.894 2.290 902 HA SER 123 HA SER 123 23.899 16.417 4.134 903 HB2 SER 123 HB2 SER 123 21.611 15.707 3.163 904 HB3 SER 123 HB3 SER 123 22.524 15.237 1.729 905 HG SER 123 HG SER 123 23.543 13.692 2.863 906 H LYS 124 H LYS 124 24.220 17.709 0.968 907 HA LYS 124 HA LYS 124 26.264 15.927 0.054 908 HB2 LYS 124 HB2 LYS 124 25.398 18.660 -0.899 909 HB3 LYS 124 HB3 LYS 124 26.612 17.679 -1.710 910 HG2 LYS 124 HG2 LYS 124 23.750 16.861 -1.256 911 HG3 LYS 124 HG3 LYS 124 24.397 17.520 -2.760 912 HD2 LYS 124 HD2 LYS 124 25.310 14.974 -1.420 913 HD3 LYS 124 HD3 LYS 124 24.242 15.069 -2.822 914 HE2 LYS 124 HE2 LYS 124 26.052 16.239 -4.053 915 HE3 LYS 124 HE3 LYS 124 27.110 15.991 -2.665 916 HZ1 LYS 124 HZ1 LYS 124 27.350 13.805 -3.120 917 HZ2 LYS 124 HZ2 LYS 124 27.011 14.315 -4.696 918 HZ3 LYS 124 HZ3 LYS 124 25.789 13.630 -3.748 919 H ARG 125 H ARG 125 26.175 18.734 2.051 920 HA ARG 125 HA ARG 125 29.104 18.981 1.904 921 HB2 ARG 125 HB2 ARG 125 28.821 21.208 2.883 922 HB3 ARG 125 HB3 ARG 125 27.895 21.046 1.397 923 HG2 ARG 125 HG2 ARG 125 26.070 21.682 2.469 924 HG3 ARG 125 HG3 ARG 125 26.211 20.287 3.541 925 HD2 ARG 125 HD2 ARG 125 26.146 22.265 4.888 926 HD3 ARG 125 HD3 ARG 125 27.781 21.608 4.949 927 HE ARG 125 HE ARG 125 28.547 23.502 3.909 928 HH11 ARG 125 HH11 ARG 125 25.081 23.346 3.612 929 HH12 ARG 125 HH12 ARG 125 24.935 24.944 2.958 930 HH21 ARG 125 HH21 ARG 125 28.367 25.607 3.049 931 HH22 ARG 125 HH22 ARG 125 26.805 26.228 2.637 932 H GLU 126 H GLU 126 26.668 17.665 3.749 933 HA GLU 126 HA GLU 126 27.892 18.136 6.335 934 HB2 GLU 126 HB2 GLU 126 25.360 17.047 5.344 935 HB3 GLU 126 HB3 GLU 126 26.015 16.157 6.712 936 HG2 GLU 126 HG2 GLU 126 25.982 19.102 6.934 937 HG3 GLU 126 HG3 GLU 126 24.424 18.278 6.976 938 H ALA 127 H ALA 127 27.906 15.731 3.843 939 HA ALA 127 HA ALA 127 29.756 14.118 5.462 940 HB1 ALA 127 HB1 ALA 127 28.694 12.139 5.058 941 HB2 ALA 127 HB2 ALA 127 27.299 13.218 5.102 942 HB3 ALA 127 HB3 ALA 127 27.969 12.706 3.553 943 H LYS 128 H LYS 128 31.612 14.701 4.450 944 HA LYS 128 HA LYS 128 32.136 13.595 1.870 945 HB2 LYS 128 HB2 LYS 128 31.016 15.682 1.196 946 HB3 LYS 128 HB3 LYS 128 32.179 16.607 2.137 947 HG2 LYS 128 HG2 LYS 128 33.184 16.803 0.131 948 HG3 LYS 128 HG3 LYS 128 33.876 15.244 0.585 949 HD2 LYS 128 HD2 LYS 128 32.514 14.070 -0.856 950 HD3 LYS 128 HD3 LYS 128 31.260 15.313 -0.851 951 HE2 LYS 128 HE2 LYS 128 33.959 15.848 -2.039 952 HE3 LYS 128 HE3 LYS 128 32.714 15.012 -2.965 953 HZ1 LYS 128 HZ1 LYS 128 31.986 17.517 -1.639 954 HZ2 LYS 128 HZ2 LYS 128 31.435 16.870 -3.101 955 HZ3 LYS 128 HZ3 LYS 128 32.953 17.612 -3.024 Start of MODEL 6 1 H1 MET 1 H MET 1 -19.697 35.015 -43.164 2 HA MET 1 HA MET 1 -17.094 35.369 -43.948 3 HB2 MET 1 HB2 MET 1 -18.605 37.932 -43.785 4 HB3 MET 1 HB3 MET 1 -16.961 37.907 -43.161 5 HG2 MET 1 HG2 MET 1 -16.058 37.845 -45.199 6 HG3 MET 1 HG3 MET 1 -17.237 36.676 -45.791 7 HE1 MET 1 HE1 MET 1 -20.220 38.873 -46.882 8 HE2 MET 1 HE2 MET 1 -19.616 37.255 -46.525 9 HE3 MET 1 HE3 MET 1 -20.052 38.343 -45.207 10 H ALA 2 H ALA 2 -17.168 33.889 -42.149 11 HA ALA 2 HA ALA 2 -17.333 35.220 -39.526 12 HB1 ALA 2 HB1 ALA 2 -17.382 32.642 -38.840 13 HB2 ALA 2 HB2 ALA 2 -18.838 33.548 -39.252 14 HB3 ALA 2 HB3 ALA 2 -18.075 32.511 -40.457 15 H TYR 3 H TYR 3 -15.895 34.045 -37.847 16 HA TYR 3 HA TYR 3 -13.411 32.992 -38.873 17 HB2 TYR 3 HB2 TYR 3 -13.625 35.773 -37.771 18 HB3 TYR 3 HB3 TYR 3 -12.149 34.845 -37.529 19 HD1 TYR 3 HD1 TYR 3 -11.127 33.783 -39.703 20 HD2 TYR 3 HD2 TYR 3 -13.838 37.063 -39.682 21 HE1 TYR 3 HE1 TYR 3 -10.343 34.438 -41.941 22 HE2 TYR 3 HE2 TYR 3 -13.063 37.725 -41.920 23 HH TYR 3 HH TYR 3 -11.446 35.805 -43.950 24 H SER 4 H SER 4 -14.593 31.356 -37.485 25 HA SER 4 HA SER 4 -14.856 31.618 -34.719 26 HB2 SER 4 HB2 SER 4 -15.484 29.673 -36.478 27 HB3 SER 4 HB3 SER 4 -14.048 28.955 -35.749 28 HG SER 4 HG SER 4 -15.082 29.386 -33.685 29 H GLU 5 H GLU 5 -13.561 30.465 -33.054 30 HA GLU 5 HA GLU 5 -10.806 29.901 -33.555 31 HB2 GLU 5 HB2 GLU 5 -9.849 31.715 -32.213 32 HB3 GLU 5 HB3 GLU 5 -10.688 32.340 -33.626 33 HG2 GLU 5 HG2 GLU 5 -12.598 32.940 -32.257 34 HG3 GLU 5 HG3 GLU 5 -11.811 32.259 -30.835 35 H LYS 6 H LYS 6 -9.725 29.047 -31.725 36 HA LYS 6 HA LYS 6 -11.569 28.083 -29.670 37 HB2 LYS 6 HB2 LYS 6 -9.390 26.933 -31.090 38 HB3 LYS 6 HB3 LYS 6 -8.951 26.975 -29.387 39 HG2 LYS 6 HG2 LYS 6 -10.001 24.968 -29.438 40 HG3 LYS 6 HG3 LYS 6 -11.398 25.998 -29.116 41 HD2 LYS 6 HD2 LYS 6 -11.264 26.053 -31.846 42 HD3 LYS 6 HD3 LYS 6 -10.733 24.408 -31.484 43 HE2 LYS 6 HE2 LYS 6 -12.778 24.259 -29.972 44 HE3 LYS 6 HE3 LYS 6 -13.329 25.739 -30.755 45 HZ1 LYS 6 HZ1 LYS 6 -12.532 23.893 -32.721 46 HZ2 LYS 6 HZ2 LYS 6 -14.067 24.549 -32.451 47 HZ3 LYS 6 HZ3 LYS 6 -13.606 23.124 -31.663 48 H VAL 7 H VAL 7 -10.186 27.611 -27.508 49 HA VAL 7 HA VAL 7 -9.267 30.263 -26.649 50 HB VAL 7 HB VAL 7 -11.146 29.273 -25.393 51 HG11 VAL 7 HG11 VAL 7 -9.415 27.295 -24.054 52 HG12 VAL 7 HG12 VAL 7 -11.131 27.216 -24.459 53 HG13 VAL 7 HG13 VAL 7 -9.915 26.899 -25.698 54 HG21 VAL 7 HG21 VAL 7 -10.434 30.089 -23.390 55 HG22 VAL 7 HG22 VAL 7 -8.903 29.215 -23.449 56 HG23 VAL 7 HG23 VAL 7 -9.119 30.681 -24.406 57 H ILE 8 H ILE 8 -8.300 26.906 -26.865 58 HA ILE 8 HA ILE 8 -5.572 27.706 -26.124 59 HB ILE 8 HB ILE 8 -6.506 26.559 -24.188 60 HG12 ILE 8 HG12 ILE 8 -4.757 24.447 -25.337 61 HG13 ILE 8 HG13 ILE 8 -4.107 26.082 -25.287 62 HG21 ILE 8 HG21 ILE 8 -7.894 24.831 -24.338 63 HG22 ILE 8 HG22 ILE 8 -7.838 25.015 -26.090 64 HG23 ILE 8 HG23 ILE 8 -6.729 23.906 -25.284 65 HD11 ILE 8 HD11 ILE 8 -5.329 25.376 -22.776 66 HD12 ILE 8 HD12 ILE 8 -4.090 24.210 -23.244 67 HD13 ILE 8 HD13 ILE 8 -3.688 25.923 -23.121 68 H ASP 9 H ASP 9 -4.097 27.118 -27.574 69 HA ASP 9 HA ASP 9 -4.891 25.514 -29.843 70 HB2 ASP 9 HB2 ASP 9 -2.213 26.782 -29.230 71 HB3 ASP 9 HB3 ASP 9 -2.724 26.124 -30.782 72 H HIS 10 H HIS 10 -2.767 24.126 -30.634 73 HA HIS 10 HA HIS 10 -2.480 22.095 -28.534 74 HB2 HIS 10 HB2 HIS 10 -1.950 20.539 -30.369 75 HB3 HIS 10 HB3 HIS 10 -3.515 21.311 -30.604 76 HD1 HIS 10 HD1 HIS 10 -0.162 20.943 -32.122 77 HD2 HIS 10 HD2 HIS 10 -3.586 23.219 -32.720 78 HE1 HIS 10 HE1 HIS 10 0.097 21.959 -34.408 79 H TYR 11 H TYR 11 -0.558 21.652 -27.657 80 HA TYR 11 HA TYR 11 1.831 22.841 -28.909 81 HB2 TYR 11 HB2 TYR 11 0.795 23.382 -26.400 82 HB3 TYR 11 HB3 TYR 11 2.077 22.223 -26.064 83 HD1 TYR 11 HD1 TYR 11 1.435 25.399 -27.912 84 HD2 TYR 11 HD2 TYR 11 4.273 22.963 -25.882 85 HE1 TYR 11 HE1 TYR 11 3.101 27.200 -28.091 86 HE2 TYR 11 HE2 TYR 11 5.945 24.758 -26.054 87 HH TYR 11 HH TYR 11 5.111 27.940 -27.242 88 H GLU 12 H GLU 12 3.850 21.699 -28.577 89 HA GLU 12 HA GLU 12 3.632 18.939 -29.127 90 HB2 GLU 12 HB2 GLU 12 6.012 20.633 -28.359 91 HB3 GLU 12 HB3 GLU 12 6.132 18.950 -28.854 92 HG2 GLU 12 HG2 GLU 12 4.654 20.081 -30.873 93 HG3 GLU 12 HG3 GLU 12 5.804 21.351 -30.457 94 H ASN 13 H ASN 13 5.267 17.432 -27.800 95 HA ASN 13 HA ASN 13 4.658 17.729 -24.938 96 HB2 ASN 13 HB2 ASN 13 4.080 15.412 -26.742 97 HB3 ASN 13 HB3 ASN 13 4.483 15.103 -25.056 98 HD21 ASN 13 HD21 ASN 13 2.347 14.236 -24.877 99 HD22 ASN 13 HD22 ASN 13 1.000 15.295 -24.652 100 HA PRO 14 HA PRO 14 9.174 16.915 -25.669 101 HB2 PRO 14 HB2 PRO 14 10.036 18.852 -23.973 102 HB3 PRO 14 HB3 PRO 14 9.656 19.162 -25.671 103 HG2 PRO 14 HG2 PRO 14 7.987 19.657 -23.236 104 HG3 PRO 14 HG3 PRO 14 8.236 20.695 -24.652 105 HD2 PRO 14 HD2 PRO 14 6.021 19.169 -24.335 106 HD3 PRO 14 HD3 PRO 14 6.711 19.531 -25.930 107 H ARG 15 H ARG 15 9.341 14.992 -24.601 108 HA ARG 15 HA ARG 15 8.806 14.808 -21.764 109 HB2 ARG 15 HB2 ARG 15 9.380 12.437 -22.029 110 HB3 ARG 15 HB3 ARG 15 8.194 12.948 -23.222 111 HG2 ARG 15 HG2 ARG 15 10.569 13.358 -24.527 112 HG3 ARG 15 HG3 ARG 15 10.883 11.898 -23.586 113 HD2 ARG 15 HD2 ARG 15 8.345 11.499 -24.618 114 HD3 ARG 15 HD3 ARG 15 9.221 12.278 -25.935 115 HE ARG 15 HE ARG 15 9.615 9.623 -24.931 116 HH11 ARG 15 HH11 ARG 15 11.145 12.311 -26.529 117 HH12 ARG 15 HH12 ARG 15 12.346 11.333 -27.306 118 HH21 ARG 15 HH21 ARG 15 11.191 8.326 -25.948 119 HH22 ARG 15 HH22 ARG 15 12.370 9.066 -26.976 120 H ASN 16 H ASN 16 11.541 15.192 -23.864 121 HA ASN 16 HA ASN 16 13.487 14.460 -21.865 122 HB2 ASN 16 HB2 ASN 16 13.820 14.178 -24.355 123 HB3 ASN 16 HB3 ASN 16 13.979 15.929 -24.459 124 HD21 ASN 16 HD21 ASN 16 16.009 14.391 -25.324 125 HD22 ASN 16 HD22 ASN 16 17.352 14.492 -24.242 126 H VAL 17 H VAL 17 12.533 16.001 -20.272 127 HA VAL 17 HA VAL 17 14.125 18.396 -20.201 128 HB VAL 17 HB VAL 17 12.230 19.201 -21.524 129 HG11 VAL 17 HG11 VAL 17 10.457 18.623 -19.166 130 HG12 VAL 17 HG12 VAL 17 9.991 19.143 -20.787 131 HG13 VAL 17 HG13 VAL 17 10.617 17.515 -20.528 132 HG21 VAL 17 HG21 VAL 17 11.800 21.160 -20.286 133 HG22 VAL 17 HG22 VAL 17 11.972 20.320 -18.745 134 HG23 VAL 17 HG23 VAL 17 13.388 20.608 -19.754 135 H GLY 18 H GLY 18 14.420 19.162 -18.134 136 HA2 GLY 18 HA2 GLY 18 14.106 19.338 -15.835 137 HA3 GLY 18 HA3 GLY 18 12.703 18.288 -15.974 138 H SER 19 H SER 19 16.242 18.302 -15.974 139 HA SER 19 HA SER 19 16.413 16.081 -14.239 140 HB2 SER 19 HB2 SER 19 15.737 14.797 -16.204 141 HB3 SER 19 HB3 SER 19 17.036 15.523 -17.150 142 HG SER 19 HG SER 19 18.528 14.487 -15.816 143 H PHE 20 H PHE 20 18.496 15.753 -13.483 144 HA PHE 20 HA PHE 20 20.366 17.875 -14.126 145 HB2 PHE 20 HB2 PHE 20 21.666 16.939 -12.203 146 HB3 PHE 20 HB3 PHE 20 20.024 17.419 -11.786 147 HD1 PHE 20 HD1 PHE 20 22.234 14.547 -12.436 148 HD2 PHE 20 HD2 PHE 20 18.436 15.838 -11.014 149 HE1 PHE 20 HE1 PHE 20 21.817 12.301 -11.522 150 HE2 PHE 20 HE2 PHE 20 18.013 13.594 -10.096 151 HZ PHE 20 HZ PHE 20 19.705 11.823 -10.349 152 H ASP 21 H ASP 21 22.314 17.646 -15.104 153 HA ASP 21 HA ASP 21 22.731 15.414 -16.795 154 HB2 ASP 21 HB2 ASP 21 23.865 18.018 -16.430 155 HB3 ASP 21 HB3 ASP 21 25.169 16.836 -16.509 156 H ASN 22 H ASN 22 23.932 16.292 -13.630 157 HA ASN 22 HA ASN 22 24.763 13.636 -13.071 158 HB2 ASN 22 HB2 ASN 22 27.160 13.998 -12.831 159 HB3 ASN 22 HB3 ASN 22 26.669 14.331 -14.489 160 HD21 ASN 22 HD21 ASN 22 28.066 15.574 -11.636 161 HD22 ASN 22 HD22 ASN 22 28.367 17.176 -12.207 162 H ASN 23 H ASN 23 24.750 13.305 -10.921 163 HA ASN 23 HA ASN 23 23.747 15.166 -9.147 164 HB2 ASN 23 HB2 ASN 23 25.459 12.734 -8.595 165 HB3 ASN 23 HB3 ASN 23 24.606 13.641 -7.349 166 HD21 ASN 23 HD21 ASN 23 24.421 10.863 -8.691 167 HD22 ASN 23 HD22 ASN 23 22.722 10.673 -8.948 168 H ASP 24 H ASP 24 24.582 17.016 -8.469 169 HA ASP 24 HA ASP 24 27.482 17.364 -8.404 170 HB2 ASP 24 HB2 ASP 24 25.322 19.047 -9.088 171 HB3 ASP 24 HB3 ASP 24 26.022 19.716 -7.616 172 H GLU 25 H GLU 25 28.175 18.946 -6.533 173 HA GLU 25 HA GLU 25 27.422 17.590 -4.057 174 HB2 GLU 25 HB2 GLU 25 29.682 19.535 -4.552 175 HB3 GLU 25 HB3 GLU 25 29.443 18.555 -3.112 176 HG2 GLU 25 HG2 GLU 25 29.611 16.541 -4.670 177 HG3 GLU 25 HG3 GLU 25 30.249 17.675 -5.860 178 H ASN 26 H ASN 26 25.824 19.734 -5.454 179 HA ASN 26 HA ASN 26 25.172 21.226 -3.072 180 HB2 ASN 26 HB2 ASN 26 25.258 23.397 -4.601 181 HB3 ASN 26 HB3 ASN 26 26.660 22.868 -3.676 182 HD21 ASN 26 HD21 ASN 26 25.195 21.876 -6.753 183 HD22 ASN 26 HD22 ASN 26 26.643 22.022 -7.684 184 H VAL 27 H VAL 27 23.989 19.319 -5.055 185 HA VAL 27 HA VAL 27 21.827 20.929 -6.195 186 HB VAL 27 HB VAL 27 22.806 19.313 -7.705 187 HG11 VAL 27 HG11 VAL 27 22.045 16.812 -6.830 188 HG12 VAL 27 HG12 VAL 27 23.682 17.470 -6.801 189 HG13 VAL 27 HG13 VAL 27 22.657 17.587 -5.370 190 HG21 VAL 27 HG21 VAL 27 20.092 18.341 -6.820 191 HG22 VAL 27 HG22 VAL 27 20.372 19.761 -7.828 192 HG23 VAL 27 HG23 VAL 27 20.812 18.159 -8.420 193 H GLY 28 H GLY 28 19.681 20.675 -5.646 194 HA2 GLY 28 HA2 GLY 28 19.205 19.153 -3.161 195 HA3 GLY 28 HA3 GLY 28 18.347 20.621 -3.607 196 H SER 29 H SER 29 18.194 17.294 -3.524 197 HA SER 29 HA SER 29 16.060 17.248 -5.557 198 HB2 SER 29 HB2 SER 29 17.518 14.796 -4.591 199 HB3 SER 29 HB3 SER 29 16.580 15.007 -6.070 200 HG SER 29 HG SER 29 18.997 15.064 -6.186 201 H GLY 30 H GLY 30 14.071 16.497 -5.000 202 HA2 GLY 30 HA2 GLY 30 13.723 15.286 -2.349 203 HA3 GLY 30 HA3 GLY 30 12.833 16.756 -2.719 204 H MET 31 H MET 31 12.430 13.581 -2.451 205 HA MET 31 HA MET 31 10.498 13.432 -4.672 206 HB2 MET 31 HB2 MET 31 12.278 11.764 -4.862 207 HB3 MET 31 HB3 MET 31 11.922 11.181 -3.241 208 HG2 MET 31 HG2 MET 31 9.520 11.118 -4.748 209 HG3 MET 31 HG3 MET 31 10.795 10.366 -5.704 210 HE1 MET 31 HE1 MET 31 8.507 10.465 -2.984 211 HE2 MET 31 HE2 MET 31 8.312 8.774 -2.524 212 HE3 MET 31 HE3 MET 31 9.424 9.810 -1.627 213 H VAL 32 H VAL 32 8.455 13.607 -4.058 214 HA VAL 32 HA VAL 32 7.505 12.208 -1.699 215 HB VAL 32 HB VAL 32 6.411 14.146 -0.714 216 HG11 VAL 32 HG11 VAL 32 9.342 14.727 -1.117 217 HG12 VAL 32 HG12 VAL 32 8.336 15.204 0.253 218 HG13 VAL 32 HG13 VAL 32 8.712 13.502 -0.016 219 HG21 VAL 32 HG21 VAL 32 6.716 16.372 -1.494 220 HG22 VAL 32 HG22 VAL 32 7.919 15.862 -2.678 221 HG23 VAL 32 HG23 VAL 32 6.229 15.403 -2.885 222 H GLY 33 H GLY 33 5.049 12.567 -1.474 223 HA2 GLY 33 HA2 GLY 33 3.364 13.515 -3.398 224 HA3 GLY 33 HA3 GLY 33 3.881 11.959 -4.030 225 H ALA 34 H ALA 34 1.557 11.477 -3.883 226 HA ALA 34 HA ALA 34 0.708 10.820 -1.142 227 HB1 ALA 34 HB1 ALA 34 -0.928 12.210 -2.039 228 HB2 ALA 34 HB2 ALA 34 -0.832 11.458 -3.632 229 HB3 ALA 34 HB3 ALA 34 -1.583 10.591 -2.291 230 HA PRO 35 HA PRO 35 1.732 6.703 -2.865 231 HB2 PRO 35 HB2 PRO 35 2.353 5.623 -0.454 232 HB3 PRO 35 HB3 PRO 35 3.504 6.566 -1.408 233 HG2 PRO 35 HG2 PRO 35 1.825 7.419 0.919 234 HG3 PRO 35 HG3 PRO 35 3.525 7.784 0.572 235 HD2 PRO 35 HD2 PRO 35 1.528 9.545 0.081 236 HD3 PRO 35 HD3 PRO 35 2.992 9.459 -0.919 237 H ALA 36 H ALA 36 -0.398 7.742 -0.299 238 HA ALA 36 HA ALA 36 -1.786 5.205 -0.158 239 HB1 ALA 36 HB1 ALA 36 -2.121 7.851 1.209 240 HB2 ALA 36 HB2 ALA 36 -3.353 6.595 1.333 241 HB3 ALA 36 HB3 ALA 36 -1.715 6.282 1.906 242 H CYS 37 H CYS 37 -1.844 7.849 -2.206 243 HA CYS 37 HA CYS 37 -4.627 7.290 -2.994 244 HB2 CYS 37 HB2 CYS 37 -3.664 9.707 -2.203 245 HB3 CYS 37 HB3 CYS 37 -3.401 9.804 -3.940 246 HG CYS 37 HG CYS 37 -5.755 11.030 -3.807 247 H GLY 38 H GLY 38 -1.341 7.256 -3.924 248 HA2 GLY 38 HA2 GLY 38 -0.551 6.076 -5.813 249 HA3 GLY 38 HA3 GLY 38 -2.115 6.305 -6.581 250 H ALA 39 H ALA 39 0.410 8.441 -5.240 251 HA ALA 39 HA ALA 39 0.685 9.712 -7.852 252 HB1 ALA 39 HB1 ALA 39 -1.100 10.882 -6.392 253 HB2 ALA 39 HB2 ALA 39 0.282 11.488 -5.477 254 HB3 ALA 39 HB3 ALA 39 0.128 11.863 -7.193 255 H VAL 40 H VAL 40 2.649 10.785 -8.155 256 HA VAL 40 HA VAL 40 4.553 10.864 -5.950 257 HB VAL 40 HB VAL 40 5.185 9.389 -8.510 258 HG11 VAL 40 HG11 VAL 40 7.214 10.250 -7.857 259 HG12 VAL 40 HG12 VAL 40 6.797 10.224 -6.142 260 HG13 VAL 40 HG13 VAL 40 7.198 8.722 -6.977 261 HG21 VAL 40 HG21 VAL 40 3.703 8.053 -7.160 262 HG22 VAL 40 HG22 VAL 40 5.334 7.392 -7.046 263 HG23 VAL 40 HG23 VAL 40 4.679 8.355 -5.722 264 H MET 41 H MET 41 5.686 12.690 -6.028 265 HA MET 41 HA MET 41 6.120 13.975 -8.638 266 HB2 MET 41 HB2 MET 41 5.657 16.149 -7.694 267 HB3 MET 41 HB3 MET 41 4.276 15.097 -7.412 268 HG2 MET 41 HG2 MET 41 4.811 14.843 -5.129 269 HG3 MET 41 HG3 MET 41 6.408 15.555 -5.350 270 HE1 MET 41 HE1 MET 41 2.501 17.985 -5.728 271 HE2 MET 41 HE2 MET 41 3.087 16.882 -6.974 272 HE3 MET 41 HE3 MET 41 2.538 16.248 -5.422 273 H LYS 42 H LYS 42 8.079 14.974 -8.931 274 HA LYS 42 HA LYS 42 9.970 14.904 -6.678 275 HB2 LYS 42 HB2 LYS 42 10.463 13.966 -9.507 276 HB3 LYS 42 HB3 LYS 42 11.742 14.234 -8.330 277 HG2 LYS 42 HG2 LYS 42 11.242 12.364 -7.150 278 HG3 LYS 42 HG3 LYS 42 9.519 12.454 -7.523 279 HD2 LYS 42 HD2 LYS 42 10.229 10.592 -8.725 280 HD3 LYS 42 HD3 LYS 42 10.240 11.879 -9.933 281 HE2 LYS 42 HE2 LYS 42 12.635 12.158 -9.645 282 HE3 LYS 42 HE3 LYS 42 12.645 10.936 -8.374 283 HZ1 LYS 42 HZ1 LYS 42 12.277 10.587 -11.275 284 HZ2 LYS 42 HZ2 LYS 42 11.648 9.440 -10.203 285 HZ3 LYS 42 HZ3 LYS 42 13.310 9.757 -10.222 286 H LEU 43 H LEU 43 11.245 16.663 -6.457 287 HA LEU 43 HA LEU 43 11.271 18.635 -8.639 288 HB2 LEU 43 HB2 LEU 43 9.790 18.978 -6.403 289 HB3 LEU 43 HB3 LEU 43 11.317 19.694 -5.891 290 HG LEU 43 HG LEU 43 10.925 20.876 -8.325 291 HD11 LEU 43 HD11 LEU 43 8.443 19.751 -7.662 292 HD12 LEU 43 HD12 LEU 43 8.794 20.925 -8.930 293 HD13 LEU 43 HD13 LEU 43 8.307 21.477 -7.328 294 HD21 LEU 43 HD21 LEU 43 10.864 22.799 -7.117 295 HD22 LEU 43 HD22 LEU 43 11.376 21.699 -5.836 296 HD23 LEU 43 HD23 LEU 43 9.681 22.173 -5.967 297 H GLN 44 H GLN 44 13.162 19.766 -8.920 298 HA GLN 44 HA GLN 44 15.396 19.038 -7.143 299 HB2 GLN 44 HB2 GLN 44 15.672 19.551 -10.101 300 HB3 GLN 44 HB3 GLN 44 16.870 18.873 -9.006 301 HG2 GLN 44 HG2 GLN 44 14.275 17.537 -9.738 302 HG3 GLN 44 HG3 GLN 44 15.828 17.208 -10.504 303 HE21 GLN 44 HE21 GLN 44 13.724 16.205 -8.183 304 HE22 GLN 44 HE22 GLN 44 14.802 15.283 -7.197 305 H ILE 45 H ILE 45 17.157 20.595 -7.072 306 HA ILE 45 HA ILE 45 16.621 23.271 -8.052 307 HB ILE 45 HB ILE 45 16.943 24.268 -5.765 308 HG12 ILE 45 HG12 ILE 45 16.261 21.463 -4.856 309 HG13 ILE 45 HG13 ILE 45 17.841 22.222 -4.694 310 HG21 ILE 45 HG21 ILE 45 14.454 22.599 -6.091 311 HG22 ILE 45 HG22 ILE 45 14.618 24.086 -5.158 312 HG23 ILE 45 HG23 ILE 45 14.756 24.128 -6.915 313 HD11 ILE 45 HD11 ILE 45 16.818 23.950 -3.263 314 HD12 ILE 45 HD12 ILE 45 15.285 23.085 -3.367 315 HD13 ILE 45 HD13 ILE 45 16.678 22.323 -2.600 316 H LYS 46 H LYS 46 18.426 24.792 -7.382 317 HA LYS 46 HA LYS 46 20.956 23.386 -6.914 318 HB2 LYS 46 HB2 LYS 46 20.306 23.973 -9.433 319 HB3 LYS 46 HB3 LYS 46 20.946 25.544 -8.967 320 HG2 LYS 46 HG2 LYS 46 22.399 22.909 -8.864 321 HG3 LYS 46 HG3 LYS 46 22.676 24.230 -10.002 322 HD2 LYS 46 HD2 LYS 46 23.194 25.672 -7.979 323 HD3 LYS 46 HD3 LYS 46 23.221 24.176 -7.042 324 HE2 LYS 46 HE2 LYS 46 25.433 24.323 -7.577 325 HE3 LYS 46 HE3 LYS 46 24.857 23.420 -8.977 326 HZ1 LYS 46 HZ1 LYS 46 24.712 26.291 -9.257 327 HZ2 LYS 46 HZ2 LYS 46 25.273 25.124 -10.345 328 HZ3 LYS 46 HZ3 LYS 46 26.286 25.686 -9.112 329 H VAL 47 H VAL 47 21.953 24.316 -5.264 330 HA VAL 47 HA VAL 47 21.352 27.110 -4.616 331 HB VAL 47 HB VAL 47 22.892 25.165 -2.904 332 HG11 VAL 47 HG11 VAL 47 22.122 26.665 -1.088 333 HG12 VAL 47 HG12 VAL 47 23.157 27.474 -2.266 334 HG13 VAL 47 HG13 VAL 47 21.411 27.723 -2.306 335 HG21 VAL 47 HG21 VAL 47 21.013 23.995 -2.652 336 HG22 VAL 47 HG22 VAL 47 20.346 25.403 -1.826 337 HG23 VAL 47 HG23 VAL 47 20.070 25.182 -3.553 338 H ASN 48 H ASN 48 22.967 28.645 -4.276 339 HA ASN 48 HA ASN 48 25.443 28.112 -5.724 340 HB2 ASN 48 HB2 ASN 48 24.714 30.791 -4.590 341 HB3 ASN 48 HB3 ASN 48 25.639 30.411 -6.040 342 HD21 ASN 48 HD21 ASN 48 23.271 32.132 -5.577 343 HD22 ASN 48 HD22 ASN 48 22.088 31.585 -6.711 344 H ASP 49 H ASP 49 27.175 29.903 -4.617 345 HA ASP 49 HA ASP 49 28.136 28.477 -2.355 346 HB2 ASP 49 HB2 ASP 49 29.010 30.943 -3.821 347 HB3 ASP 49 HB3 ASP 49 29.759 30.524 -2.283 348 H GLU 50 H GLU 50 26.586 31.629 -2.780 349 HA GLU 50 HA GLU 50 26.808 32.433 -0.071 350 HB2 GLU 50 HB2 GLU 50 24.988 34.064 -0.695 351 HB3 GLU 50 HB3 GLU 50 26.433 34.129 -1.694 352 HG2 GLU 50 HG2 GLU 50 25.365 33.071 -3.497 353 HG3 GLU 50 HG3 GLU 50 24.013 32.550 -2.494 354 H GLY 51 H GLY 51 24.650 30.324 -1.749 355 HA2 GLY 51 HA2 GLY 51 23.326 28.736 -0.549 356 HA3 GLY 51 HA3 GLY 51 23.189 29.894 0.766 357 H ILE 52 H ILE 52 22.665 30.529 -2.667 358 HA ILE 52 HA ILE 52 19.818 30.995 -2.066 359 HB ILE 52 HB ILE 52 21.485 32.573 -4.027 360 HG12 ILE 52 HG12 ILE 52 22.213 33.133 -1.799 361 HG13 ILE 52 HG13 ILE 52 21.188 34.439 -2.384 362 HG21 ILE 52 HG21 ILE 52 19.109 32.380 -4.605 363 HG22 ILE 52 HG22 ILE 52 18.679 33.015 -3.018 364 HG23 ILE 52 HG23 ILE 52 19.547 34.031 -4.169 365 HD11 ILE 52 HD11 ILE 52 20.127 34.255 -0.443 366 HD12 ILE 52 HD12 ILE 52 19.412 32.783 -1.103 367 HD13 ILE 52 HD13 ILE 52 20.857 32.688 -0.096 368 H ILE 53 H ILE 53 18.351 30.143 -3.437 369 HA ILE 53 HA ILE 53 19.173 28.153 -5.286 370 HB ILE 53 HB ILE 53 16.449 29.403 -4.905 371 HG12 ILE 53 HG12 ILE 53 17.372 28.296 -2.888 372 HG13 ILE 53 HG13 ILE 53 15.960 27.460 -3.526 373 HG21 ILE 53 HG21 ILE 53 17.280 26.892 -6.351 374 HG22 ILE 53 HG22 ILE 53 15.615 27.347 -5.996 375 HG23 ILE 53 HG23 ILE 53 16.592 28.348 -7.070 376 HD11 ILE 53 HD11 ILE 53 17.773 25.952 -2.792 377 HD12 ILE 53 HD12 ILE 53 17.340 25.756 -4.490 378 HD13 ILE 53 HD13 ILE 53 18.804 26.635 -4.049 379 H GLU 54 H GLU 54 19.894 28.451 -7.278 380 HA GLU 54 HA GLU 54 19.061 30.870 -8.736 381 HB2 GLU 54 HB2 GLU 54 21.120 30.867 -9.867 382 HB3 GLU 54 HB3 GLU 54 21.532 30.475 -8.204 383 HG2 GLU 54 HG2 GLU 54 22.783 28.925 -9.296 384 HG3 GLU 54 HG3 GLU 54 21.295 28.007 -9.071 385 H ASP 55 H ASP 55 19.027 27.432 -8.729 386 HA ASP 55 HA ASP 55 17.625 27.463 -11.310 387 HB2 ASP 55 HB2 ASP 55 20.125 26.126 -10.699 388 HB3 ASP 55 HB3 ASP 55 18.889 24.973 -11.195 389 H ALA 56 H ALA 56 15.919 26.042 -11.499 390 HA ALA 56 HA ALA 56 15.374 24.205 -9.293 391 HB1 ALA 56 HB1 ALA 56 13.130 25.966 -10.154 392 HB2 ALA 56 HB2 ALA 56 13.387 25.131 -8.621 393 HB3 ALA 56 HB3 ALA 56 14.311 26.585 -8.999 394 H ARG 57 H ARG 57 14.930 22.307 -10.181 395 HA ARG 57 HA ARG 57 13.638 22.249 -12.825 396 HB2 ARG 57 HB2 ARG 57 15.939 20.945 -11.848 397 HB3 ARG 57 HB3 ARG 57 14.708 19.701 -12.022 398 HG2 ARG 57 HG2 ARG 57 15.496 19.611 -14.124 399 HG3 ARG 57 HG3 ARG 57 14.402 20.975 -14.365 400 HD2 ARG 57 HD2 ARG 57 17.167 21.520 -13.411 401 HD3 ARG 57 HD3 ARG 57 16.934 21.085 -15.104 402 HE ARG 57 HE ARG 57 16.321 23.577 -13.892 403 HH11 ARG 57 HH11 ARG 57 15.219 21.338 -16.320 404 HH12 ARG 57 HH12 ARG 57 14.436 22.554 -17.273 405 HH21 ARG 57 HH21 ARG 57 15.294 25.188 -15.139 406 HH22 ARG 57 HH22 ARG 57 14.480 24.744 -16.601 407 H PHE 58 H PHE 58 12.429 20.045 -13.137 408 HA PHE 58 HA PHE 58 11.070 19.069 -10.788 409 HB2 PHE 58 HB2 PHE 58 9.730 21.024 -11.106 410 HB3 PHE 58 HB3 PHE 58 9.626 20.747 -12.841 411 HD1 PHE 58 HD1 PHE 58 8.878 18.876 -9.696 412 HD2 PHE 58 HD2 PHE 58 7.616 19.975 -13.610 413 HE1 PHE 58 HE1 PHE 58 6.781 17.631 -9.366 414 HE2 PHE 58 HE2 PHE 58 5.517 18.733 -13.286 415 HZ PHE 58 HZ PHE 58 5.097 17.560 -11.162 416 H LYS 59 H LYS 59 9.924 17.152 -11.153 417 HA LYS 59 HA LYS 59 10.050 16.059 -13.878 418 HB2 LYS 59 HB2 LYS 59 11.297 14.998 -11.406 419 HB3 LYS 59 HB3 LYS 59 10.504 13.823 -12.447 420 HG2 LYS 59 HG2 LYS 59 12.102 15.531 -14.067 421 HG3 LYS 59 HG3 LYS 59 13.077 14.954 -12.713 422 HD2 LYS 59 HD2 LYS 59 13.402 13.214 -14.145 423 HD3 LYS 59 HD3 LYS 59 11.918 12.651 -13.372 424 HE2 LYS 59 HE2 LYS 59 11.502 12.373 -15.650 425 HE3 LYS 59 HE3 LYS 59 10.700 13.893 -15.258 426 HZ1 LYS 59 HZ1 LYS 59 13.393 14.347 -16.019 427 HZ2 LYS 59 HZ2 LYS 59 11.973 14.958 -16.706 428 HZ3 LYS 59 HZ3 LYS 59 12.588 13.468 -17.220 429 H THR 60 H THR 60 7.947 15.925 -14.381 430 HA THR 60 HA THR 60 5.949 15.232 -12.421 431 HB THR 60 HB THR 60 5.440 16.850 -14.207 432 HG1 THR 60 HG1 THR 60 3.402 16.079 -14.506 433 HG21 THR 60 HG21 THR 60 5.376 14.551 -16.143 434 HG22 THR 60 HG22 THR 60 6.817 15.546 -15.936 435 HG23 THR 60 HG23 THR 60 5.310 16.281 -16.480 436 H TYR 61 H TYR 61 4.904 13.322 -12.169 437 HA TYR 61 HA TYR 61 4.783 11.235 -14.029 438 HB2 TYR 61 HB2 TYR 61 7.139 10.923 -13.758 439 HB3 TYR 61 HB3 TYR 61 7.013 11.013 -12.005 440 HD1 TYR 61 HD1 TYR 61 5.009 9.056 -14.469 441 HD2 TYR 61 HD2 TYR 61 7.726 8.957 -11.196 442 HE1 TYR 61 HE1 TYR 61 4.785 6.609 -14.365 443 HE2 TYR 61 HE2 TYR 61 7.510 6.509 -11.083 444 HH TYR 61 HH TYR 61 6.763 4.633 -13.090 445 H GLY 62 H GLY 62 2.654 11.316 -13.211 446 HA2 GLY 62 HA2 GLY 62 1.809 9.392 -11.522 447 HA3 GLY 62 HA3 GLY 62 2.171 10.713 -10.420 448 H CYS 63 H CYS 63 -0.356 9.291 -11.538 449 HA CYS 63 HA CYS 63 -2.542 9.894 -11.762 450 HB2 CYS 63 HB2 CYS 63 -1.719 12.779 -11.461 451 HB3 CYS 63 HB3 CYS 63 -3.274 12.047 -11.083 452 HG CYS 63 HG CYS 63 -2.561 12.312 -8.588 453 H GLY 64 H GLY 64 -0.883 12.720 -13.170 454 HA2 GLY 64 HA2 GLY 64 -0.517 12.659 -15.639 455 HA3 GLY 64 HA3 GLY 64 -2.150 12.021 -15.748 456 H SER 65 H SER 65 -1.814 14.090 -17.275 457 HA SER 65 HA SER 65 -2.609 16.158 -17.794 458 HB2 SER 65 HB2 SER 65 -4.549 15.149 -16.310 459 HB3 SER 65 HB3 SER 65 -4.026 16.387 -15.169 460 HG SER 65 HG SER 65 -5.700 17.030 -16.702 461 H ALA 66 H ALA 66 -0.180 15.731 -16.080 462 HA ALA 66 HA ALA 66 1.377 16.947 -14.940 463 HB1 ALA 66 HB1 ALA 66 0.064 19.349 -16.189 464 HB2 ALA 66 HB2 ALA 66 1.755 19.149 -15.728 465 HB3 ALA 66 HB3 ALA 66 1.097 18.238 -17.087 466 H ILE 67 H ILE 67 1.439 19.382 -13.738 467 HA ILE 67 HA ILE 67 -0.897 19.776 -12.092 468 HB ILE 67 HB ILE 67 0.087 17.895 -10.917 469 HG12 ILE 67 HG12 ILE 67 0.870 20.265 -9.256 470 HG13 ILE 67 HG13 ILE 67 -0.811 20.053 -9.734 471 HG21 ILE 67 HG21 ILE 67 2.486 18.960 -9.881 472 HG22 ILE 67 HG22 ILE 67 2.279 17.563 -10.936 473 HG23 ILE 67 HG23 ILE 67 2.539 19.162 -11.632 474 HD11 ILE 67 HD11 ILE 67 0.588 17.750 -8.497 475 HD12 ILE 67 HD12 ILE 67 0.117 19.101 -7.466 476 HD13 ILE 67 HD13 ILE 67 -1.104 18.236 -8.400 477 H ALA 68 H ALA 68 -0.981 21.803 -11.272 478 HA ALA 68 HA ALA 68 1.115 23.639 -12.059 479 HB1 ALA 68 HB1 ALA 68 -0.454 25.379 -11.234 480 HB2 ALA 68 HB2 ALA 68 -1.149 24.323 -12.465 481 HB3 ALA 68 HB3 ALA 68 -1.570 24.095 -10.768 482 H SER 69 H SER 69 -0.082 22.138 -9.154 483 HA SER 69 HA SER 69 0.906 23.847 -7.203 484 HB2 SER 69 HB2 SER 69 -0.137 21.190 -7.311 485 HB3 SER 69 HB3 SER 69 1.316 21.172 -6.311 486 HG SER 69 HG SER 69 -1.042 21.924 -5.561 487 H SER 70 H SER 70 2.572 21.550 -9.230 488 HA SER 70 HA SER 70 5.033 21.715 -7.711 489 HB2 SER 70 HB2 SER 70 4.069 20.171 -10.063 490 HB3 SER 70 HB3 SER 70 5.804 20.463 -9.954 491 HG SER 70 HG SER 70 5.872 19.379 -8.044 492 H SER 71 H SER 71 3.846 22.781 -10.882 493 HA SER 71 HA SER 71 6.224 24.043 -11.710 494 HB2 SER 71 HB2 SER 71 3.438 23.920 -12.613 495 HB3 SER 71 HB3 SER 71 4.222 25.459 -12.971 496 HG SER 71 HG SER 71 4.723 24.167 -14.660 497 H LEU 72 H LEU 72 3.767 24.981 -9.489 498 HA LEU 72 HA LEU 72 4.348 27.802 -9.593 499 HB2 LEU 72 HB2 LEU 72 2.147 27.319 -8.990 500 HB3 LEU 72 HB3 LEU 72 2.637 26.058 -7.861 501 HG LEU 72 HG LEU 72 3.635 28.660 -7.062 502 HD11 LEU 72 HD11 LEU 72 1.555 29.717 -6.532 503 HD12 LEU 72 HD12 LEU 72 0.640 28.352 -7.171 504 HD13 LEU 72 HD13 LEU 72 1.575 29.375 -8.262 505 HD21 LEU 72 HD21 LEU 72 1.873 26.564 -5.803 506 HD22 LEU 72 HD22 LEU 72 2.458 28.003 -4.965 507 HD23 LEU 72 HD23 LEU 72 3.604 26.800 -5.558 508 H VAL 73 H VAL 73 4.916 25.178 -7.256 509 HA VAL 73 HA VAL 73 6.368 26.710 -5.399 510 HB VAL 73 HB VAL 73 7.275 24.521 -4.606 511 HG11 VAL 73 HG11 VAL 73 5.062 23.590 -3.956 512 HG12 VAL 73 HG12 VAL 73 5.206 25.329 -3.691 513 HG13 VAL 73 HG13 VAL 73 4.304 24.719 -5.079 514 HG21 VAL 73 HG21 VAL 73 6.422 22.464 -5.628 515 HG22 VAL 73 HG22 VAL 73 5.654 23.415 -6.899 516 HG23 VAL 73 HG23 VAL 73 7.412 23.387 -6.760 517 H THR 74 H THR 74 7.279 25.216 -8.400 518 HA THR 74 HA THR 74 10.093 25.213 -7.960 519 HB THR 74 HB THR 74 10.048 25.203 -10.600 520 HG1 THR 74 HG1 THR 74 8.115 24.985 -11.460 521 HG21 THR 74 HG21 THR 74 9.067 22.692 -10.224 522 HG22 THR 74 HG22 THR 74 9.531 23.132 -8.581 523 HG23 THR 74 HG23 THR 74 10.725 23.179 -9.877 524 H GLU 75 H GLU 75 7.954 27.358 -9.839 525 HA GLU 75 HA GLU 75 9.955 29.186 -10.590 526 HB2 GLU 75 HB2 GLU 75 8.071 30.731 -11.064 527 HB3 GLU 75 HB3 GLU 75 7.842 29.132 -11.757 528 HG2 GLU 75 HG2 GLU 75 6.318 28.540 -9.978 529 HG3 GLU 75 HG3 GLU 75 6.598 30.092 -9.191 530 H TRP 76 H TRP 76 8.315 28.695 -7.619 531 HA TRP 76 HA TRP 76 8.717 31.353 -6.593 532 HB2 TRP 76 HB2 TRP 76 7.368 28.937 -5.744 533 HB3 TRP 76 HB3 TRP 76 8.321 29.617 -4.428 534 HD1 TRP 76 HD1 TRP 76 4.957 29.650 -5.221 535 HE1 TRP 76 HE1 TRP 76 3.773 31.883 -4.732 536 HE3 TRP 76 HE3 TRP 76 9.055 32.692 -4.918 537 HZ2 TRP 76 HZ2 TRP 76 4.483 34.577 -4.279 538 HZ3 TRP 76 HZ3 TRP 76 8.716 35.084 -4.454 539 HH2 TRP 76 HH2 TRP 76 6.477 36.006 -4.142 540 H VAL 77 H VAL 77 10.224 28.177 -6.084 541 HA VAL 77 HA VAL 77 12.164 29.102 -4.229 542 HB VAL 77 HB VAL 77 13.313 26.960 -4.646 543 HG11 VAL 77 HG11 VAL 77 10.789 25.729 -4.442 544 HG12 VAL 77 HG12 VAL 77 11.873 26.205 -3.133 545 HG13 VAL 77 HG13 VAL 77 10.635 27.324 -3.706 546 HG21 VAL 77 HG21 VAL 77 12.527 25.380 -6.247 547 HG22 VAL 77 HG22 VAL 77 11.145 26.395 -6.660 548 HG23 VAL 77 HG23 VAL 77 12.775 26.906 -7.096 549 H LYS 78 H LYS 78 11.974 29.078 -7.687 550 HA LYS 78 HA LYS 78 14.708 29.230 -8.322 551 HB2 LYS 78 HB2 LYS 78 12.161 29.709 -9.685 552 HB3 LYS 78 HB3 LYS 78 13.466 30.733 -10.269 553 HG2 LYS 78 HG2 LYS 78 14.634 28.244 -10.130 554 HG3 LYS 78 HG3 LYS 78 12.993 27.899 -10.680 555 HD2 LYS 78 HD2 LYS 78 14.334 30.180 -11.984 556 HD3 LYS 78 HD3 LYS 78 15.019 28.589 -12.325 557 HE2 LYS 78 HE2 LYS 78 12.275 28.220 -12.528 558 HE3 LYS 78 HE3 LYS 78 12.558 29.794 -13.270 559 HZ1 LYS 78 HZ1 LYS 78 12.711 27.828 -14.794 560 HZ2 LYS 78 HZ2 LYS 78 14.123 27.380 -13.978 561 HZ3 LYS 78 HZ3 LYS 78 14.057 28.853 -14.807 562 H GLY 79 H GLY 79 15.829 30.629 -7.000 563 HA2 GLY 79 HA2 GLY 79 16.865 32.799 -7.065 564 HA3 GLY 79 HA3 GLY 79 15.307 33.483 -7.505 565 H LYS 80 H LYS 80 15.291 31.111 -5.028 566 HA LYS 80 HA LYS 80 15.059 33.233 -2.995 567 HB2 LYS 80 HB2 LYS 80 13.170 31.226 -3.785 568 HB3 LYS 80 HB3 LYS 80 13.657 30.932 -2.121 569 HG2 LYS 80 HG2 LYS 80 12.746 32.885 -1.360 570 HG3 LYS 80 HG3 LYS 80 12.917 33.700 -2.916 571 HD2 LYS 80 HD2 LYS 80 10.860 33.105 -3.541 572 HD3 LYS 80 HD3 LYS 80 11.144 31.419 -3.100 573 HE2 LYS 80 HE2 LYS 80 10.826 33.194 -0.802 574 HE3 LYS 80 HE3 LYS 80 9.407 33.136 -1.846 575 HZ1 LYS 80 HZ1 LYS 80 10.354 30.524 -1.491 576 HZ2 LYS 80 HZ2 LYS 80 8.886 31.186 -0.973 577 HZ3 LYS 80 HZ3 LYS 80 10.243 31.246 0.035 578 H SER 81 H SER 81 15.665 32.641 -0.823 579 HA SER 81 HA SER 81 18.054 31.064 -0.769 580 HB2 SER 81 HB2 SER 81 18.272 31.785 1.521 581 HB3 SER 81 HB3 SER 81 17.711 33.160 0.571 582 HG SER 81 HG SER 81 16.558 32.024 2.689 583 H LEU 82 H LEU 82 18.266 29.630 1.368 584 HA LEU 82 HA LEU 82 16.640 27.346 0.895 585 HB2 LEU 82 HB2 LEU 82 18.386 27.795 3.299 586 HB3 LEU 82 HB3 LEU 82 17.927 26.262 2.559 587 HG LEU 82 HG LEU 82 19.627 28.260 1.098 588 HD11 LEU 82 HD11 LEU 82 21.602 27.229 1.928 589 HD12 LEU 82 HD12 LEU 82 20.674 26.015 2.809 590 HD13 LEU 82 HD13 LEU 82 20.633 27.701 3.324 591 HD21 LEU 82 HD21 LEU 82 20.444 25.978 0.161 592 HD22 LEU 82 HD22 LEU 82 18.912 26.651 -0.397 593 HD23 LEU 82 HD23 LEU 82 18.924 25.369 0.814 594 H ASP 83 H ASP 83 16.841 29.684 3.558 595 HA ASP 83 HA ASP 83 14.850 28.498 5.167 596 HB2 ASP 83 HB2 ASP 83 16.166 31.175 5.048 597 HB3 ASP 83 HB3 ASP 83 14.699 31.007 6.009 598 H GLU 84 H GLU 84 14.711 31.046 2.710 599 HA GLU 84 HA GLU 84 12.066 31.825 3.014 600 HB2 GLU 84 HB2 GLU 84 13.945 31.775 0.684 601 HB3 GLU 84 HB3 GLU 84 12.262 32.214 0.427 602 HG2 GLU 84 HG2 GLU 84 12.436 34.091 1.851 603 HG3 GLU 84 HG3 GLU 84 14.003 33.568 2.464 604 H ALA 85 H ALA 85 13.322 29.423 0.692 605 HA ALA 85 HA ALA 85 10.820 28.530 -0.202 606 HB1 ALA 85 HB1 ALA 85 13.482 27.118 -0.147 607 HB2 ALA 85 HB2 ALA 85 12.058 26.532 -1.007 608 HB3 ALA 85 HB3 ALA 85 12.802 28.062 -1.472 609 H GLN 86 H GLN 86 12.912 27.355 2.404 610 HA GLN 86 HA GLN 86 11.328 25.111 3.077 611 HB2 GLN 86 HB2 GLN 86 13.775 25.696 3.738 612 HB3 GLN 86 HB3 GLN 86 13.032 26.565 5.074 613 HG2 GLN 86 HG2 GLN 86 11.776 24.127 5.161 614 HG3 GLN 86 HG3 GLN 86 13.420 23.710 4.682 615 HE21 GLN 86 HE21 GLN 86 11.835 25.955 6.934 616 HE22 GLN 86 HE22 GLN 86 12.855 25.593 8.280 617 H ALA 87 H ALA 87 10.926 28.453 3.622 618 HA ALA 87 HA ALA 87 9.296 28.196 5.988 619 HB1 ALA 87 HB1 ALA 87 8.947 30.584 5.782 620 HB2 ALA 87 HB2 ALA 87 10.657 30.204 5.576 621 HB3 ALA 87 HB3 ALA 87 9.660 30.574 4.169 622 H ILE 88 H ILE 88 8.824 28.051 2.585 623 HA ILE 88 HA ILE 88 6.238 28.933 2.228 624 HB ILE 88 HB ILE 88 7.590 26.552 0.956 625 HG12 ILE 88 HG12 ILE 88 7.124 29.323 -0.154 626 HG13 ILE 88 HG13 ILE 88 8.609 28.847 0.662 627 HG21 ILE 88 HG21 ILE 88 5.766 27.341 -0.864 628 HG22 ILE 88 HG22 ILE 88 5.494 26.047 0.301 629 HG23 ILE 88 HG23 ILE 88 4.886 27.669 0.628 630 HD11 ILE 88 HD11 ILE 88 8.552 28.787 -1.891 631 HD12 ILE 88 HD12 ILE 88 9.215 27.388 -1.045 632 HD13 ILE 88 HD13 ILE 88 7.579 27.329 -1.702 633 H LYS 89 H LYS 89 4.216 28.142 2.576 634 HA LYS 89 HA LYS 89 4.023 25.625 4.098 635 HB2 LYS 89 HB2 LYS 89 2.578 28.240 4.428 636 HB3 LYS 89 HB3 LYS 89 1.875 26.740 5.020 637 HG2 LYS 89 HG2 LYS 89 2.985 27.146 6.903 638 HG3 LYS 89 HG3 LYS 89 4.430 26.649 6.020 639 HD2 LYS 89 HD2 LYS 89 4.930 28.745 7.013 640 HD3 LYS 89 HD3 LYS 89 4.672 29.052 5.294 641 HE2 LYS 89 HE2 LYS 89 3.569 30.750 6.634 642 HE3 LYS 89 HE3 LYS 89 2.378 29.772 5.778 643 HZ1 LYS 89 HZ1 LYS 89 2.962 28.690 8.345 644 HZ2 LYS 89 HZ2 LYS 89 1.472 29.146 7.689 645 HZ3 LYS 89 HZ3 LYS 89 2.439 30.294 8.470 646 H ASN 90 H ASN 90 2.447 24.175 3.546 647 HA ASN 90 HA ASN 90 1.582 23.965 0.951 648 HB2 ASN 90 HB2 ASN 90 0.275 22.149 1.630 649 HB3 ASN 90 HB3 ASN 90 1.508 22.239 2.884 650 HD21 ASN 90 HD21 ASN 90 0.930 23.370 4.868 651 HD22 ASN 90 HD22 ASN 90 -0.705 23.298 5.421 652 H THR 91 H THR 91 0.069 25.665 3.612 653 HA THR 91 HA THR 91 -2.484 26.062 2.595 654 HB THR 91 HB THR 91 -1.916 26.711 4.867 655 HG1 THR 91 HG1 THR 91 -3.532 28.044 4.619 656 HG21 THR 91 HG21 THR 91 -0.293 28.178 5.454 657 HG22 THR 91 HG22 THR 91 -0.598 29.230 4.071 658 HG23 THR 91 HG23 THR 91 0.360 27.763 3.870 659 H ASP 92 H ASP 92 0.509 27.804 1.928 660 HA ASP 92 HA ASP 92 -0.682 29.882 0.402 661 HB2 ASP 92 HB2 ASP 92 1.821 29.423 1.423 662 HB3 ASP 92 HB3 ASP 92 2.080 29.168 -0.301 663 H ILE 93 H ILE 93 0.654 26.723 -0.400 664 HA ILE 93 HA ILE 93 0.421 27.109 -3.237 665 HB ILE 93 HB ILE 93 0.835 24.568 -1.656 666 HG12 ILE 93 HG12 ILE 93 3.202 24.979 -2.784 667 HG13 ILE 93 HG13 ILE 93 2.668 26.656 -2.751 668 HG21 ILE 93 HG21 ILE 93 0.506 25.113 -4.522 669 HG22 ILE 93 HG22 ILE 93 1.895 24.108 -4.108 670 HG23 ILE 93 HG23 ILE 93 0.274 23.619 -3.614 671 HD11 ILE 93 HD11 ILE 93 3.242 26.814 -0.626 672 HD12 ILE 93 HD12 ILE 93 2.167 25.479 -0.208 673 HD13 ILE 93 HD13 ILE 93 3.835 25.154 -0.680 674 H ALA 94 H ALA 94 -1.656 26.053 -0.699 675 HA ALA 94 HA ALA 94 -3.456 24.518 -2.296 676 HB1 ALA 94 HB1 ALA 94 -4.024 25.857 0.343 677 HB2 ALA 94 HB2 ALA 94 -4.887 24.497 -0.375 678 HB3 ALA 94 HB3 ALA 94 -3.223 24.294 0.173 679 H GLU 95 H GLU 95 -3.611 27.811 -0.940 680 HA GLU 95 HA GLU 95 -6.030 28.431 -2.356 681 HB2 GLU 95 HB2 GLU 95 -4.138 30.366 -1.017 682 HB3 GLU 95 HB3 GLU 95 -5.836 30.623 -1.393 683 HG2 GLU 95 HG2 GLU 95 -4.813 28.571 0.555 684 HG3 GLU 95 HG3 GLU 95 -5.396 30.174 0.998 685 H GLU 96 H GLU 96 -2.649 28.645 -3.005 686 HA GLU 96 HA GLU 96 -2.511 30.728 -4.827 687 HB2 GLU 96 HB2 GLU 96 -0.921 28.371 -4.182 688 HB3 GLU 96 HB3 GLU 96 -0.815 28.805 -5.882 689 HG2 GLU 96 HG2 GLU 96 -0.285 30.676 -3.586 690 HG3 GLU 96 HG3 GLU 96 0.950 29.830 -4.515 691 H LEU 97 H LEU 97 -3.313 27.318 -5.420 692 HA LEU 97 HA LEU 97 -4.359 28.113 -8.057 693 HB2 LEU 97 HB2 LEU 97 -3.364 25.396 -7.215 694 HB3 LEU 97 HB3 LEU 97 -3.922 25.856 -8.822 695 HG LEU 97 HG LEU 97 -1.622 27.357 -7.695 696 HD11 LEU 97 HD11 LEU 97 -0.990 25.128 -7.075 697 HD12 LEU 97 HD12 LEU 97 -0.070 25.597 -8.504 698 HD13 LEU 97 HD13 LEU 97 -1.449 24.508 -8.661 699 HD21 LEU 97 HD21 LEU 97 -0.893 27.192 -10.060 700 HD22 LEU 97 HD22 LEU 97 -2.468 27.961 -9.863 701 HD23 LEU 97 HD23 LEU 97 -2.366 26.288 -10.415 702 H GLU 98 H GLU 98 -5.334 27.419 -5.042 703 HA GLU 98 HA GLU 98 -7.238 26.623 -4.072 704 HB2 GLU 98 HB2 GLU 98 -8.526 27.150 -6.748 705 HB3 GLU 98 HB3 GLU 98 -9.286 27.187 -5.163 706 HG2 GLU 98 HG2 GLU 98 -7.914 29.141 -4.576 707 HG3 GLU 98 HG3 GLU 98 -7.225 29.121 -6.198 708 H LEU 99 H LEU 99 -6.086 24.480 -4.219 709 HA LEU 99 HA LEU 99 -6.739 22.579 -6.187 710 HB2 LEU 99 HB2 LEU 99 -5.457 22.596 -3.558 711 HB3 LEU 99 HB3 LEU 99 -6.282 21.086 -3.939 712 HG LEU 99 HG LEU 99 -4.940 21.009 -6.065 713 HD11 LEU 99 HD11 LEU 99 -4.383 23.579 -5.654 714 HD12 LEU 99 HD12 LEU 99 -3.309 22.506 -6.551 715 HD13 LEU 99 HD13 LEU 99 -2.978 22.868 -4.858 716 HD21 LEU 99 HD21 LEU 99 -3.193 19.900 -5.043 717 HD22 LEU 99 HD22 LEU 99 -4.416 19.897 -3.772 718 HD23 LEU 99 HD23 LEU 99 -3.091 21.060 -3.718 719 HA PRO 100 HA PRO 100 -10.837 21.344 -5.198 720 HB2 PRO 100 HB2 PRO 100 -10.768 18.741 -5.966 721 HB3 PRO 100 HB3 PRO 100 -10.779 20.082 -7.117 722 HG2 PRO 100 HG2 PRO 100 -8.471 18.451 -6.131 723 HG3 PRO 100 HG3 PRO 100 -8.833 18.995 -7.780 724 HD2 PRO 100 HD2 PRO 100 -7.020 20.240 -6.201 725 HD3 PRO 100 HD3 PRO 100 -7.997 21.109 -7.401 726 HA PRO 101 HA PRO 101 -10.881 19.497 -1.199 727 HB2 PRO 101 HB2 PRO 101 -13.439 18.591 -1.122 728 HB3 PRO 101 HB3 PRO 101 -13.023 20.305 -1.000 729 HG2 PRO 101 HG2 PRO 101 -13.970 18.751 -3.377 730 HG3 PRO 101 HG3 PRO 101 -14.457 20.365 -2.830 731 HD2 PRO 101 HD2 PRO 101 -12.690 19.981 -4.845 732 HD3 PRO 101 HD3 PRO 101 -12.599 21.374 -3.748 733 H VAL 102 H VAL 102 -11.273 17.691 -4.057 734 HA VAL 102 HA VAL 102 -11.943 15.151 -3.230 735 HB VAL 102 HB VAL 102 -10.481 14.318 -5.089 736 HG11 VAL 102 HG11 VAL 102 -11.717 16.012 -6.792 737 HG12 VAL 102 HG12 VAL 102 -12.520 14.664 -5.984 738 HG13 VAL 102 HG13 VAL 102 -12.650 16.294 -5.323 739 HG21 VAL 102 HG21 VAL 102 -9.555 16.154 -6.581 740 HG22 VAL 102 HG22 VAL 102 -9.731 17.229 -5.193 741 HG23 VAL 102 HG23 VAL 102 -8.668 15.825 -5.092 742 H LYS 103 H LYS 103 -8.761 16.709 -3.133 743 HA LYS 103 HA LYS 103 -7.956 15.046 -0.929 744 HB2 LYS 103 HB2 LYS 103 -7.479 13.580 -2.868 745 HB3 LYS 103 HB3 LYS 103 -6.442 14.832 -3.539 746 HG2 LYS 103 HG2 LYS 103 -5.039 13.232 -2.497 747 HG3 LYS 103 HG3 LYS 103 -5.048 14.666 -1.468 748 HD2 LYS 103 HD2 LYS 103 -6.561 13.638 0.072 749 HD3 LYS 103 HD3 LYS 103 -6.825 12.274 -1.017 750 HE2 LYS 103 HE2 LYS 103 -4.857 11.281 -0.469 751 HE3 LYS 103 HE3 LYS 103 -4.032 12.815 -0.202 752 HZ1 LYS 103 HZ1 LYS 103 -5.450 13.001 1.864 753 HZ2 LYS 103 HZ2 LYS 103 -4.231 11.829 1.897 754 HZ3 LYS 103 HZ3 LYS 103 -5.839 11.369 1.642 755 H ILE 104 H ILE 104 -7.937 17.246 -0.093 756 HA ILE 104 HA ILE 104 -6.410 19.354 -0.997 757 HB ILE 104 HB ILE 104 -6.905 18.546 1.870 758 HG12 ILE 104 HG12 ILE 104 -8.954 18.910 0.563 759 HG13 ILE 104 HG13 ILE 104 -8.735 20.177 1.765 760 HG21 ILE 104 HG21 ILE 104 -5.175 20.070 2.058 761 HG22 ILE 104 HG22 ILE 104 -5.700 20.994 0.651 762 HG23 ILE 104 HG23 ILE 104 -6.598 21.105 2.164 763 HD11 ILE 104 HD11 ILE 104 -8.945 21.685 0.168 764 HD12 ILE 104 HD12 ILE 104 -7.489 21.056 -0.605 765 HD13 ILE 104 HD13 ILE 104 -9.071 20.413 -1.046 766 H HIS 105 H HIS 105 -5.365 16.395 0.465 767 HA HIS 105 HA HIS 105 -2.892 17.067 1.502 768 HB2 HIS 105 HB2 HIS 105 -4.253 14.729 1.106 769 HB3 HIS 105 HB3 HIS 105 -2.912 14.550 -0.022 770 HD1 HIS 105 HD1 HIS 105 -3.058 15.894 3.543 771 HD2 HIS 105 HD2 HIS 105 -1.031 13.090 1.242 772 HE1 HIS 105 HE1 HIS 105 -1.354 14.867 5.081 773 H CYS 106 H CYS 106 -3.913 16.899 -1.803 774 HA CYS 106 HA CYS 106 -1.460 16.561 -3.095 775 HB2 CYS 106 HB2 CYS 106 -4.024 17.922 -3.878 776 HB3 CYS 106 HB3 CYS 106 -2.628 17.948 -4.949 777 HG CYS 106 HG CYS 106 -2.587 14.946 -4.576 778 H SER 107 H SER 107 -2.678 19.211 -1.302 779 HA SER 107 HA SER 107 -1.008 21.207 -2.549 780 HB2 SER 107 HB2 SER 107 -2.237 21.619 0.145 781 HB3 SER 107 HB3 SER 107 -2.073 22.750 -1.198 782 HG SER 107 HG SER 107 -4.027 22.222 -1.716 783 H ILE 108 H ILE 108 -0.906 19.155 0.296 784 HA ILE 108 HA ILE 108 1.346 20.423 1.498 785 HB ILE 108 HB ILE 108 0.085 17.719 1.911 786 HG12 ILE 108 HG12 ILE 108 -0.195 18.959 4.246 787 HG13 ILE 108 HG13 ILE 108 -0.037 20.391 3.235 788 HG21 ILE 108 HG21 ILE 108 1.551 17.674 3.995 789 HG22 ILE 108 HG22 ILE 108 2.330 17.313 2.456 790 HG23 ILE 108 HG23 ILE 108 2.528 18.903 3.193 791 HD11 ILE 108 HD11 ILE 108 -2.086 18.211 2.914 792 HD12 ILE 108 HD12 ILE 108 -2.363 19.824 3.573 793 HD13 ILE 108 HD13 ILE 108 -1.921 19.627 1.877 794 H LEU 109 H LEU 109 0.927 17.961 -0.923 795 HA LEU 109 HA LEU 109 3.488 16.786 -0.788 796 HB2 LEU 109 HB2 LEU 109 1.639 17.070 -3.152 797 HB3 LEU 109 HB3 LEU 109 3.022 15.982 -3.058 798 HG LEU 109 HG LEU 109 0.481 15.817 -1.441 799 HD11 LEU 109 HD11 LEU 109 1.582 14.327 -3.786 800 HD12 LEU 109 HD12 LEU 109 -0.045 14.951 -3.516 801 HD13 LEU 109 HD13 LEU 109 0.505 13.521 -2.645 802 HD21 LEU 109 HD21 LEU 109 3.069 14.304 -1.268 803 HD22 LEU 109 HD22 LEU 109 1.543 13.607 -0.722 804 HD23 LEU 109 HD23 LEU 109 2.156 15.084 0.024 805 H ALA 110 H ALA 110 2.258 19.641 -2.412 806 HA ALA 110 HA ALA 110 4.451 20.111 -4.117 807 HB1 ALA 110 HB1 ALA 110 3.453 22.109 -4.632 808 HB2 ALA 110 HB2 ALA 110 2.073 21.214 -3.994 809 HB3 ALA 110 HB3 ALA 110 2.907 22.390 -2.979 810 H GLU 111 H GLU 111 3.704 21.360 -0.869 811 HA GLU 111 HA GLU 111 6.183 22.789 -0.675 812 HB2 GLU 111 HB2 GLU 111 5.500 23.283 1.605 813 HB3 GLU 111 HB3 GLU 111 4.153 23.535 0.504 814 HG2 GLU 111 HG2 GLU 111 2.912 21.929 1.448 815 HG3 GLU 111 HG3 GLU 111 4.289 20.852 1.672 816 H ASP 112 H ASP 112 5.140 19.579 -0.038 817 HA ASP 112 HA ASP 112 7.146 18.920 1.892 818 HB2 ASP 112 HB2 ASP 112 5.188 17.349 0.252 819 HB3 ASP 112 HB3 ASP 112 6.478 16.516 1.115 820 H ALA 113 H ALA 113 6.935 18.909 -1.588 821 HA ALA 113 HA ALA 113 9.224 17.262 -2.039 822 HB1 ALA 113 HB1 ALA 113 8.595 17.356 -4.175 823 HB2 ALA 113 HB2 ALA 113 7.186 18.254 -3.609 824 HB3 ALA 113 HB3 ALA 113 8.609 19.120 -4.187 825 H ILE 114 H ILE 114 8.681 20.775 -2.347 826 HA ILE 114 HA ILE 114 11.238 21.559 -3.010 827 HB ILE 114 HB ILE 114 10.720 23.737 -1.961 828 HG12 ILE 114 HG12 ILE 114 8.263 22.278 -0.968 829 HG13 ILE 114 HG13 ILE 114 9.541 22.975 0.022 830 HG21 ILE 114 HG21 ILE 114 8.372 22.611 -3.477 831 HG22 ILE 114 HG22 ILE 114 8.874 24.298 -3.393 832 HG23 ILE 114 HG23 ILE 114 9.891 23.116 -4.216 833 HD11 ILE 114 HD11 ILE 114 8.915 25.205 -0.750 834 HD12 ILE 114 HD12 ILE 114 7.628 24.500 -1.729 835 HD13 ILE 114 HD13 ILE 114 7.567 24.376 0.029 836 H LYS 115 H LYS 115 9.923 20.810 0.173 837 HA LYS 115 HA LYS 115 12.142 21.699 1.681 838 HB2 LYS 115 HB2 LYS 115 9.934 21.295 2.676 839 HB3 LYS 115 HB3 LYS 115 10.092 19.576 2.343 840 HG2 LYS 115 HG2 LYS 115 10.720 19.597 4.524 841 HG3 LYS 115 HG3 LYS 115 12.295 19.863 3.772 842 HD2 LYS 115 HD2 LYS 115 12.142 21.459 5.501 843 HD3 LYS 115 HD3 LYS 115 11.821 22.348 4.011 844 HE2 LYS 115 HE2 LYS 115 10.261 22.975 5.789 845 HE3 LYS 115 HE3 LYS 115 9.427 22.219 4.432 846 HZ1 LYS 115 HZ1 LYS 115 10.220 20.298 6.381 847 HZ2 LYS 115 HZ2 LYS 115 8.685 20.606 5.741 848 HZ3 LYS 115 HZ3 LYS 115 9.242 21.495 7.068 849 H ALA 116 H ALA 116 11.221 18.469 0.509 850 HA ALA 116 HA ALA 116 13.314 16.999 1.560 851 HB1 ALA 116 HB1 ALA 116 11.549 15.817 0.546 852 HB2 ALA 116 HB2 ALA 116 11.754 16.666 -0.987 853 HB3 ALA 116 HB3 ALA 116 12.964 15.498 -0.457 854 H ALA 117 H ALA 117 13.301 19.215 -1.123 855 HA ALA 117 HA ALA 117 15.809 18.346 -2.219 856 HB1 ALA 117 HB1 ALA 117 15.491 19.916 -3.854 857 HB2 ALA 117 HB2 ALA 117 13.824 19.664 -3.333 858 HB3 ALA 117 HB3 ALA 117 14.726 21.066 -2.757 859 H ILE 118 H ILE 118 14.742 21.025 -0.155 860 HA ILE 118 HA ILE 118 17.209 22.348 0.031 861 HB ILE 118 HB ILE 118 14.952 22.234 2.035 862 HG12 ILE 118 HG12 ILE 118 15.645 24.264 -0.101 863 HG13 ILE 118 HG13 ILE 118 14.299 23.131 -0.154 864 HG21 ILE 118 HG21 ILE 118 15.922 24.315 2.936 865 HG22 ILE 118 HG22 ILE 118 16.990 22.926 3.134 866 HG23 ILE 118 HG23 ILE 118 17.308 24.108 1.864 867 HD11 ILE 118 HD11 ILE 118 14.548 25.694 1.214 868 HD12 ILE 118 HD12 ILE 118 13.112 24.827 0.670 869 HD13 ILE 118 HD13 ILE 118 13.863 24.410 2.210 870 H ALA 119 H ALA 119 15.887 19.611 1.780 871 HA ALA 119 HA ALA 119 17.860 19.568 3.834 872 HB1 ALA 119 HB1 ALA 119 15.933 18.443 4.429 873 HB2 ALA 119 HB2 ALA 119 15.792 17.640 2.864 874 HB3 ALA 119 HB3 ALA 119 17.020 17.117 4.017 875 H ASP 120 H ASP 120 17.429 17.689 0.842 876 HA ASP 120 HA ASP 120 19.645 16.040 1.047 877 HB2 ASP 120 HB2 ASP 120 17.706 16.507 -0.859 878 HB3 ASP 120 HB3 ASP 120 19.183 17.010 -1.677 879 H TYR 121 H TYR 121 19.459 19.416 0.239 880 HA TYR 121 HA TYR 121 22.029 19.652 -0.949 881 HB2 TYR 121 HB2 TYR 121 20.418 21.365 -1.393 882 HB3 TYR 121 HB3 TYR 121 20.185 21.677 0.324 883 HD1 TYR 121 HD1 TYR 121 23.117 21.514 -2.000 884 HD2 TYR 121 HD2 TYR 121 21.055 23.687 1.021 885 HE1 TYR 121 HE1 TYR 121 24.842 23.265 -2.091 886 HE2 TYR 121 HE2 TYR 121 22.773 25.445 0.937 887 HH TYR 121 HH TYR 121 25.600 25.207 -0.047 888 H LYS 122 H LYS 122 20.842 20.604 2.278 889 HA LYS 122 HA LYS 122 23.300 21.327 3.364 890 HB2 LYS 122 HB2 LYS 122 21.035 20.050 4.898 891 HB3 LYS 122 HB3 LYS 122 22.256 21.152 5.521 892 HG2 LYS 122 HG2 LYS 122 21.309 22.859 3.883 893 HG3 LYS 122 HG3 LYS 122 19.942 21.756 3.712 894 HD2 LYS 122 HD2 LYS 122 20.837 22.543 6.447 895 HD3 LYS 122 HD3 LYS 122 19.899 23.691 5.489 896 HE2 LYS 122 HE2 LYS 122 18.206 22.588 6.560 897 HE3 LYS 122 HE3 LYS 122 18.351 21.593 5.113 898 HZ1 LYS 122 HZ1 LYS 122 20.110 20.733 7.192 899 HZ2 LYS 122 HZ2 LYS 122 18.963 19.848 6.320 900 HZ3 LYS 122 HZ3 LYS 122 18.495 20.716 7.694 901 H SER 123 H SER 123 21.974 18.201 2.730 902 HA SER 123 HA SER 123 23.779 16.805 4.502 903 HB2 SER 123 HB2 SER 123 21.672 15.971 2.534 904 HB3 SER 123 HB3 SER 123 22.830 14.786 3.137 905 HG SER 123 HG SER 123 20.728 16.022 4.424 906 H LYS 124 H LYS 124 23.772 17.930 1.251 907 HA LYS 124 HA LYS 124 25.815 16.122 0.317 908 HB2 LYS 124 HB2 LYS 124 24.009 18.002 -0.853 909 HB3 LYS 124 HB3 LYS 124 25.643 18.418 -1.351 910 HG2 LYS 124 HG2 LYS 124 25.100 16.956 -3.003 911 HG3 LYS 124 HG3 LYS 124 25.783 15.827 -1.830 912 HD2 LYS 124 HD2 LYS 124 23.267 15.785 -0.981 913 HD3 LYS 124 HD3 LYS 124 22.960 16.239 -2.659 914 HE2 LYS 124 HE2 LYS 124 23.702 14.242 -3.478 915 HE3 LYS 124 HE3 LYS 124 24.838 13.996 -2.152 916 HZ1 LYS 124 HZ1 LYS 124 21.898 13.800 -1.828 917 HZ2 LYS 124 HZ2 LYS 124 23.090 13.324 -0.727 918 HZ3 LYS 124 HZ3 LYS 124 22.883 12.468 -2.172 919 H ARG 125 H ARG 125 25.689 19.147 1.951 920 HA ARG 125 HA ARG 125 28.539 19.625 1.407 921 HB2 ARG 125 HB2 ARG 125 28.188 21.906 2.078 922 HB3 ARG 125 HB3 ARG 125 26.943 21.477 0.912 923 HG2 ARG 125 HG2 ARG 125 25.384 22.110 2.344 924 HG3 ARG 125 HG3 ARG 125 25.940 20.894 3.496 925 HD2 ARG 125 HD2 ARG 125 27.245 22.394 4.654 926 HD3 ARG 125 HD3 ARG 125 27.438 23.460 3.263 927 HE ARG 125 HE ARG 125 25.511 24.549 3.867 928 HH11 ARG 125 HH11 ARG 125 25.755 21.560 5.635 929 HH12 ARG 125 HH12 ARG 125 24.426 21.921 6.686 930 HH21 ARG 125 HH21 ARG 125 23.760 25.037 5.245 931 HH22 ARG 125 HH22 ARG 125 23.292 23.899 6.463 932 H GLU 126 H GLU 126 26.440 18.390 3.716 933 HA GLU 126 HA GLU 126 27.413 19.252 6.151 934 HB2 GLU 126 HB2 GLU 126 26.502 17.279 7.104 935 HB3 GLU 126 HB3 GLU 126 25.479 17.678 5.732 936 HG2 GLU 126 HG2 GLU 126 26.994 16.033 4.433 937 HG3 GLU 126 HG3 GLU 126 27.444 15.452 6.036 938 H ALA 127 H ALA 127 28.858 17.072 3.846 939 HA ALA 127 HA ALA 127 31.318 17.084 5.422 940 HB1 ALA 127 HB1 ALA 127 29.620 14.824 5.268 941 HB2 ALA 127 HB2 ALA 127 31.067 14.474 4.321 942 HB3 ALA 127 HB3 ALA 127 31.213 14.950 6.013 943 H LYS 128 H LYS 128 32.657 18.072 4.049 944 HA LYS 128 HA LYS 128 33.216 16.830 1.496 945 HB2 LYS 128 HB2 LYS 128 31.345 18.543 1.146 946 HB3 LYS 128 HB3 LYS 128 32.552 19.769 1.508 947 HG2 LYS 128 HG2 LYS 128 33.932 18.672 -0.359 948 HG3 LYS 128 HG3 LYS 128 32.416 17.896 -0.824 949 HD2 LYS 128 HD2 LYS 128 31.615 19.781 -1.726 950 HD3 LYS 128 HD3 LYS 128 32.120 20.753 -0.342 951 HE2 LYS 128 HE2 LYS 128 34.395 20.834 -1.223 952 HE3 LYS 128 HE3 LYS 128 33.908 19.838 -2.594 953 HZ1 LYS 128 HZ1 LYS 128 33.891 22.052 -3.343 954 HZ2 LYS 128 HZ2 LYS 128 33.070 22.610 -1.973 955 HZ3 LYS 128 HZ3 LYS 128 32.264 21.651 -3.109 Start of MODEL 7 1 H1 MET 1 H MET 1 -16.732 8.250 -1.076 2 HA MET 1 HA MET 1 -16.619 10.475 -2.132 3 HB2 MET 1 HB2 MET 1 -15.220 10.938 0.344 4 HB3 MET 1 HB3 MET 1 -14.221 11.438 -1.015 5 HG2 MET 1 HG2 MET 1 -15.746 13.036 -1.715 6 HG3 MET 1 HG3 MET 1 -17.079 12.289 -0.838 7 HE1 MET 1 HE1 MET 1 -16.432 15.922 0.646 8 HE2 MET 1 HE2 MET 1 -15.385 15.595 -0.735 9 HE3 MET 1 HE3 MET 1 -17.072 15.080 -0.766 10 H ALA 2 H ALA 2 -13.961 8.453 -0.973 11 HA ALA 2 HA ALA 2 -12.673 8.667 -3.604 12 HB1 ALA 2 HB1 ALA 2 -11.337 9.142 -1.542 13 HB2 ALA 2 HB2 ALA 2 -11.523 7.443 -1.105 14 HB3 ALA 2 HB3 ALA 2 -10.667 7.884 -2.582 15 H TYR 3 H TYR 3 -14.659 7.265 -4.203 16 HA TYR 3 HA TYR 3 -13.887 4.434 -3.924 17 HB2 TYR 3 HB2 TYR 3 -16.662 5.624 -4.068 18 HB3 TYR 3 HB3 TYR 3 -16.322 3.902 -4.197 19 HD1 TYR 3 HD2 TYR 3 -14.958 2.872 -2.210 20 HD2 TYR 3 HD1 TYR 3 -17.116 6.532 -1.985 21 HE1 TYR 3 HE2 TYR 3 -15.035 2.669 0.240 22 HE2 TYR 3 HE1 TYR 3 -17.198 6.340 0.466 23 HH TYR 3 HH TYR 3 -16.510 3.518 2.112 24 H SER 4 H SER 4 -12.935 6.170 -5.946 25 HA SER 4 HA SER 4 -14.353 5.150 -8.320 26 HB2 SER 4 HB2 SER 4 -12.459 7.472 -8.444 27 HB3 SER 4 HB3 SER 4 -13.823 7.090 -9.494 28 HG SER 4 HG SER 4 -14.634 8.654 -8.259 29 H GLU 5 H GLU 5 -12.555 5.440 -10.270 30 HA GLU 5 HA GLU 5 -10.713 3.309 -9.754 31 HB2 GLU 5 HB2 GLU 5 -11.709 4.768 -12.080 32 HB3 GLU 5 HB3 GLU 5 -9.998 4.382 -12.200 33 HG2 GLU 5 HG2 GLU 5 -10.443 2.045 -11.916 34 HG3 GLU 5 HG3 GLU 5 -12.145 2.367 -11.588 35 H LYS 6 H LYS 6 -8.403 3.701 -10.851 36 HA LYS 6 HA LYS 6 -7.248 6.003 -9.426 37 HB2 LYS 6 HB2 LYS 6 -5.169 4.717 -9.315 38 HB3 LYS 6 HB3 LYS 6 -6.499 3.827 -8.587 39 HG2 LYS 6 HG2 LYS 6 -6.287 3.163 -11.367 40 HG3 LYS 6 HG3 LYS 6 -4.727 2.952 -10.568 41 HD2 LYS 6 HD2 LYS 6 -5.659 1.462 -8.964 42 HD3 LYS 6 HD3 LYS 6 -7.306 1.844 -9.473 43 HE2 LYS 6 HE2 LYS 6 -7.145 0.585 -11.394 44 HE3 LYS 6 HE3 LYS 6 -5.389 0.722 -11.465 45 HZ1 LYS 6 HZ1 LYS 6 -6.937 -0.930 -9.542 46 HZ2 LYS 6 HZ2 LYS 6 -5.253 -0.769 -9.550 47 HZ3 LYS 6 HZ3 LYS 6 -6.038 -1.506 -10.855 48 H VAL 7 H VAL 7 -5.084 6.712 -10.417 49 HA VAL 7 HA VAL 7 -5.354 6.811 -13.352 50 HB VAL 7 HB VAL 7 -5.935 8.969 -12.300 51 HG11 VAL 7 HG11 VAL 7 -4.201 8.517 -10.403 52 HG12 VAL 7 HG12 VAL 7 -3.083 9.336 -11.496 53 HG13 VAL 7 HG13 VAL 7 -4.530 10.169 -10.925 54 HG21 VAL 7 HG21 VAL 7 -4.507 10.360 -13.685 55 HG22 VAL 7 HG22 VAL 7 -3.334 9.051 -13.829 56 HG23 VAL 7 HG23 VAL 7 -4.936 8.883 -14.548 57 H ILE 8 H ILE 8 -3.528 6.573 -14.570 58 HA ILE 8 HA ILE 8 -1.085 5.846 -13.099 59 HB ILE 8 HB ILE 8 -0.452 4.658 -15.241 60 HG12 ILE 8 HG12 ILE 8 -3.392 4.822 -15.883 61 HG13 ILE 8 HG13 ILE 8 -2.232 5.958 -16.562 62 HG21 ILE 8 HG21 ILE 8 -1.759 2.690 -14.719 63 HG22 ILE 8 HG22 ILE 8 -1.294 3.512 -13.230 64 HG23 ILE 8 HG23 ILE 8 -2.938 3.672 -13.849 65 HD11 ILE 8 HD11 ILE 8 -2.930 3.796 -17.857 66 HD12 ILE 8 HD12 ILE 8 -1.266 4.379 -17.899 67 HD13 ILE 8 HD13 ILE 8 -1.707 3.045 -16.832 68 H ASP 9 H ASP 9 0.871 6.727 -13.648 69 HA ASP 9 HA ASP 9 0.979 8.621 -15.874 70 HB2 ASP 9 HB2 ASP 9 1.036 9.319 -13.033 71 HB3 ASP 9 HB3 ASP 9 2.422 9.939 -13.925 72 H HIS 10 H HIS 10 2.595 7.906 -17.089 73 HA HIS 10 HA HIS 10 5.138 7.234 -15.784 74 HB2 HIS 10 HB2 HIS 10 3.694 5.609 -17.877 75 HB3 HIS 10 HB3 HIS 10 5.415 5.421 -17.549 76 HD1 HIS 10 HD1 HIS 10 2.986 3.326 -17.032 77 HD2 HIS 10 HD2 HIS 10 5.093 5.531 -14.211 78 HE1 HIS 10 HE1 HIS 10 2.740 2.063 -14.871 79 H TYR 11 H TYR 11 5.119 9.635 -16.597 80 HA TYR 11 HA TYR 11 5.875 9.792 -19.420 81 HB2 TYR 11 HB2 TYR 11 4.794 11.674 -17.437 82 HB3 TYR 11 HB3 TYR 11 6.051 12.352 -18.464 83 HD1 TYR 11 HD2 TYR 11 2.994 10.223 -18.818 84 HD2 TYR 11 HD1 TYR 11 5.359 13.385 -20.402 85 HE1 TYR 11 HE2 TYR 11 1.342 10.553 -20.610 86 HE2 TYR 11 HE1 TYR 11 3.713 13.724 -22.198 87 HH TYR 11 HH TYR 11 1.211 11.493 -22.843 88 H GLU 12 H GLU 12 7.883 8.644 -19.071 89 HA GLU 12 HA GLU 12 9.993 10.444 -18.101 90 HB2 GLU 12 HB2 GLU 12 9.795 7.479 -17.546 91 HB3 GLU 12 HB3 GLU 12 11.208 8.467 -17.202 92 HG2 GLU 12 HG2 GLU 12 10.210 8.449 -15.156 93 HG3 GLU 12 HG3 GLU 12 9.488 9.902 -15.844 94 H ASN 13 H ASN 13 10.105 10.917 -20.418 95 HA ASN 13 HA ASN 13 11.481 8.805 -21.941 96 HB2 ASN 13 HB2 ASN 13 10.845 10.471 -23.896 97 HB3 ASN 13 HB3 ASN 13 9.679 9.302 -23.285 98 HD21 ASN 13 HD21 ASN 13 10.578 12.639 -23.450 99 HD22 ASN 13 HD22 ASN 13 9.106 13.282 -22.814 100 HA PRO 14 HA PRO 14 15.178 11.157 -22.158 101 HB2 PRO 14 HB2 PRO 14 16.007 10.706 -24.704 102 HB3 PRO 14 HB3 PRO 14 16.063 9.470 -23.442 103 HG2 PRO 14 HG2 PRO 14 14.037 9.875 -25.607 104 HG3 PRO 14 HG3 PRO 14 14.772 8.368 -25.031 105 HD2 PRO 14 HD2 PRO 14 12.295 9.160 -24.279 106 HD3 PRO 14 HD3 PRO 14 13.365 8.229 -23.211 107 H ARG 15 H ARG 15 16.393 12.610 -24.001 108 HA ARG 15 HA ARG 15 16.441 14.586 -25.132 109 HB2 ARG 15 HB2 ARG 15 13.988 13.354 -25.972 110 HB3 ARG 15 HB3 ARG 15 13.741 15.087 -25.810 111 HG2 ARG 15 HG2 ARG 15 15.286 15.596 -27.451 112 HG3 ARG 15 HG3 ARG 15 16.115 14.045 -27.292 113 HD2 ARG 15 HD2 ARG 15 14.660 12.976 -28.659 114 HD3 ARG 15 HD3 ARG 15 13.283 13.936 -28.119 115 HE ARG 15 HE ARG 15 14.903 14.421 -30.402 116 HH11 ARG 15 HH11 ARG 15 13.103 16.018 -27.886 117 HH12 ARG 15 HH12 ARG 15 12.799 17.441 -28.827 118 HH21 ARG 15 HH21 ARG 15 14.510 16.289 -31.650 119 HH22 ARG 15 HH22 ARG 15 13.600 17.594 -30.968 120 H ASN 16 H ASN 16 13.128 14.776 -23.861 121 HA ASN 16 HA ASN 16 13.782 17.301 -22.581 122 HB2 ASN 16 HB2 ASN 16 11.624 16.732 -23.931 123 HB3 ASN 16 HB3 ASN 16 11.091 15.977 -22.431 124 HD21 ASN 16 HD21 ASN 16 9.673 18.035 -23.459 125 HD22 ASN 16 HD22 ASN 16 9.866 19.445 -22.480 126 H VAL 17 H VAL 17 15.205 15.422 -21.325 127 HA VAL 17 HA VAL 17 13.800 14.302 -19.076 128 HB VAL 17 HB VAL 17 16.789 14.563 -19.370 129 HG11 VAL 17 HG11 VAL 17 15.282 12.343 -18.037 130 HG12 VAL 17 HG12 VAL 17 16.954 12.854 -17.798 131 HG13 VAL 17 HG13 VAL 17 15.631 13.845 -17.182 132 HG21 VAL 17 HG21 VAL 17 14.869 12.737 -20.727 133 HG22 VAL 17 HG22 VAL 17 16.359 13.460 -21.333 134 HG23 VAL 17 HG23 VAL 17 16.431 12.094 -20.219 135 H GLY 18 H GLY 18 12.953 15.826 -17.743 136 HA2 GLY 18 HA2 GLY 18 14.522 18.145 -16.968 137 HA3 GLY 18 HA3 GLY 18 12.869 17.792 -16.485 138 H SER 19 H SER 19 15.929 16.001 -16.138 139 HA SER 19 HA SER 19 15.451 15.964 -13.230 140 HB2 SER 19 HB2 SER 19 15.454 13.764 -14.933 141 HB3 SER 19 HB3 SER 19 17.058 13.736 -14.200 142 HG SER 19 HG SER 19 15.284 12.636 -13.035 143 H PHE 20 H PHE 20 17.706 14.961 -12.257 144 HA PHE 20 HA PHE 20 19.537 17.096 -12.439 145 HB2 PHE 20 HB2 PHE 20 21.035 15.573 -11.088 146 HB3 PHE 20 HB3 PHE 20 19.441 15.862 -10.398 147 HD1 PHE 20 HD2 PHE 20 21.481 13.415 -12.269 148 HD2 PHE 20 HD1 PHE 20 17.954 14.090 -9.984 149 HE1 PHE 20 HE2 PHE 20 21.100 10.987 -12.146 150 HE2 PHE 20 HE1 PHE 20 17.568 11.664 -9.856 151 HZ PHE 20 HZ PHE 20 19.142 10.109 -10.938 152 H ASP 21 H ASP 21 21.448 17.341 -13.503 153 HA ASP 21 HA ASP 21 21.921 15.513 -15.729 154 HB2 ASP 21 HB2 ASP 21 21.816 18.119 -15.861 155 HB3 ASP 21 HB3 ASP 21 23.472 18.039 -15.265 156 H ASN 22 H ASN 22 22.876 13.765 -14.656 157 HA ASN 22 HA ASN 22 24.610 12.510 -13.890 158 HB2 ASN 22 HB2 ASN 22 26.395 14.879 -14.455 159 HB3 ASN 22 HB3 ASN 22 26.841 13.176 -14.419 160 HD21 ASN 22 HD21 ASN 22 26.365 11.871 -16.163 161 HD22 ASN 22 HD22 ASN 22 25.869 12.506 -17.691 162 H ASN 23 H ASN 23 23.140 14.435 -12.147 163 HA ASN 23 HA ASN 23 23.125 15.045 -9.956 164 HB2 ASN 23 HB2 ASN 23 24.820 12.762 -10.099 165 HB3 ASN 23 HB3 ASN 23 25.548 13.899 -8.968 166 HD21 ASN 23 HD21 ASN 23 24.557 14.318 -7.042 167 HD22 ASN 23 HD22 ASN 23 23.183 13.440 -6.471 168 H ASP 24 H ASP 24 24.258 16.374 -8.340 169 HA ASP 24 HA ASP 24 26.582 17.815 -9.407 170 HB2 ASP 24 HB2 ASP 24 24.157 18.916 -9.684 171 HB3 ASP 24 HB3 ASP 24 24.499 19.434 -8.035 172 H GLU 25 H GLU 25 27.114 19.598 -7.537 173 HA GLU 25 HA GLU 25 27.528 17.964 -5.135 174 HB2 GLU 25 HB2 GLU 25 29.288 19.698 -4.610 175 HB3 GLU 25 HB3 GLU 25 29.594 18.714 -6.034 176 HG2 GLU 25 HG2 GLU 25 29.264 20.455 -7.483 177 HG3 GLU 25 HG3 GLU 25 28.215 21.328 -6.367 178 H ASN 26 H ASN 26 25.775 20.636 -6.296 179 HA ASN 26 HA ASN 26 25.011 21.341 -3.543 180 HB2 ASN 26 HB2 ASN 26 24.776 23.498 -5.538 181 HB3 ASN 26 HB3 ASN 26 25.327 23.563 -3.866 182 HD21 ASN 26 HD21 ASN 26 26.236 23.649 -7.093 183 HD22 ASN 26 HD22 ASN 26 27.947 23.527 -6.880 184 H VAL 27 H VAL 27 23.850 19.552 -5.634 185 HA VAL 27 HA VAL 27 21.367 20.914 -6.331 186 HB VAL 27 HB VAL 27 22.445 19.488 -8.024 187 HG11 VAL 27 HG11 VAL 27 22.534 17.092 -7.787 188 HG12 VAL 27 HG12 VAL 27 23.391 17.837 -6.436 189 HG13 VAL 27 HG13 VAL 27 21.769 17.184 -6.201 190 HG21 VAL 27 HG21 VAL 27 20.402 18.045 -8.505 191 HG22 VAL 27 HG22 VAL 27 19.731 18.693 -7.008 192 HG23 VAL 27 HG23 VAL 27 20.132 19.780 -8.337 193 H GLY 28 H GLY 28 19.487 20.646 -5.289 194 HA2 GLY 28 HA2 GLY 28 19.454 18.748 -3.038 195 HA3 GLY 28 HA3 GLY 28 18.461 20.193 -3.164 196 H SER 29 H SER 29 18.169 17.029 -3.054 197 HA SER 29 HA SER 29 16.080 16.887 -5.126 198 HB2 SER 29 HB2 SER 29 16.582 14.296 -4.123 199 HB3 SER 29 HB3 SER 29 17.023 14.939 -5.705 200 HG SER 29 HG SER 29 19.025 15.040 -5.082 201 H GLY 30 H GLY 30 14.014 16.641 -4.531 202 HA2 GLY 30 HA2 GLY 30 13.457 15.821 -1.752 203 HA3 GLY 30 HA3 GLY 30 12.679 17.236 -2.445 204 H MET 31 H MET 31 12.281 14.031 -1.777 205 HA MET 31 HA MET 31 10.193 13.768 -3.839 206 HB2 MET 31 HB2 MET 31 12.019 12.197 -4.266 207 HB3 MET 31 HB3 MET 31 11.883 11.572 -2.628 208 HG2 MET 31 HG2 MET 31 9.363 11.466 -4.054 209 HG3 MET 31 HG3 MET 31 10.642 10.580 -4.881 210 HE1 MET 31 HE1 MET 31 7.865 10.384 -2.728 211 HE2 MET 31 HE2 MET 31 8.033 8.921 -3.699 212 HE3 MET 31 HE3 MET 31 8.031 8.816 -1.938 213 H VAL 32 H VAL 32 8.189 13.570 -3.086 214 HA VAL 32 HA VAL 32 7.720 12.338 -0.481 215 HB VAL 32 HB VAL 32 6.245 14.154 0.257 216 HG11 VAL 32 HG11 VAL 32 8.682 14.058 0.868 217 HG12 VAL 32 HG12 VAL 32 8.969 15.266 -0.386 218 HG13 VAL 32 HG13 VAL 32 7.938 15.651 0.993 219 HG21 VAL 32 HG21 VAL 32 7.014 15.295 -2.380 220 HG22 VAL 32 HG22 VAL 32 5.456 15.309 -1.554 221 HG23 VAL 32 HG23 VAL 32 6.738 16.403 -1.036 222 H GLY 33 H GLY 33 5.442 11.827 -0.108 223 HA2 GLY 33 HA2 GLY 33 3.410 12.167 -2.000 224 HA3 GLY 33 HA3 GLY 33 4.238 10.663 -2.379 225 H ALA 34 H ALA 34 2.383 9.444 -1.909 226 HA ALA 34 HA ALA 34 2.072 8.868 0.924 227 HB1 ALA 34 HB1 ALA 34 -0.563 8.848 0.096 228 HB2 ALA 34 HB2 ALA 34 0.200 10.059 1.127 229 HB3 ALA 34 HB3 ALA 34 0.089 10.326 -0.613 230 HA PRO 35 HA PRO 35 1.812 4.742 -0.574 231 HB2 PRO 35 HB2 PRO 35 0.517 3.572 1.505 232 HB3 PRO 35 HB3 PRO 35 2.207 4.081 1.591 233 HG2 PRO 35 HG2 PRO 35 -0.244 5.472 2.601 234 HG3 PRO 35 HG3 PRO 35 1.333 5.272 3.387 235 HD2 PRO 35 HD2 PRO 35 0.606 7.564 2.142 236 HD3 PRO 35 HD3 PRO 35 2.288 6.998 2.193 237 H ALA 36 H ALA 36 -1.206 5.861 0.972 238 HA ALA 36 HA ALA 36 -2.821 4.143 -0.681 239 HB1 ALA 36 HB1 ALA 36 -3.192 5.732 1.693 240 HB2 ALA 36 HB2 ALA 36 -4.498 6.008 0.539 241 HB3 ALA 36 HB3 ALA 36 -4.140 4.372 1.092 242 H CYS 37 H CYS 37 -1.401 7.172 -1.075 243 HA CYS 37 HA CYS 37 -3.458 8.181 -2.877 244 HB2 CYS 37 HB2 CYS 37 -2.002 9.561 -1.179 245 HB3 CYS 37 HB3 CYS 37 -0.812 9.524 -2.475 246 HG CYS 37 HG CYS 37 -2.897 11.791 -2.105 247 H GLY 38 H GLY 38 -0.184 6.889 -2.954 248 HA2 GLY 38 HA2 GLY 38 0.975 5.922 -4.696 249 HA3 GLY 38 HA3 GLY 38 -0.475 6.074 -5.677 250 H ALA 39 H ALA 39 0.246 9.048 -4.376 251 HA ALA 39 HA ALA 39 1.258 9.989 -6.933 252 HB1 ALA 39 HB1 ALA 39 -0.236 11.560 -6.346 253 HB2 ALA 39 HB2 ALA 39 -0.110 11.186 -4.627 254 HB3 ALA 39 HB3 ALA 39 1.097 12.216 -5.396 255 H VAL 40 H VAL 40 3.209 11.021 -7.255 256 HA VAL 40 HA VAL 40 5.092 11.095 -5.002 257 HB VAL 40 HB VAL 40 5.861 10.058 -7.729 258 HG11 VAL 40 HG11 VAL 40 7.776 9.160 -6.152 259 HG12 VAL 40 HG12 VAL 40 7.827 10.792 -6.820 260 HG13 VAL 40 HG13 VAL 40 7.285 10.533 -5.161 261 HG21 VAL 40 HG21 VAL 40 4.780 8.662 -5.349 262 HG22 VAL 40 HG22 VAL 40 4.632 8.265 -7.061 263 HG23 VAL 40 HG23 VAL 40 6.124 7.895 -6.196 264 H MET 41 H MET 41 5.950 13.049 -4.822 265 HA MET 41 HA MET 41 6.038 14.774 -7.202 266 HB2 MET 41 HB2 MET 41 6.047 15.521 -4.272 267 HB3 MET 41 HB3 MET 41 6.121 16.662 -5.608 268 HG2 MET 41 HG2 MET 41 3.853 14.728 -5.296 269 HG3 MET 41 HG3 MET 41 3.868 16.296 -4.493 270 HE1 MET 41 HE1 MET 41 3.170 18.287 -5.322 271 HE2 MET 41 HE2 MET 41 4.513 18.667 -6.399 272 HE3 MET 41 HE3 MET 41 2.853 18.768 -6.989 273 H LYS 42 H LYS 42 7.986 14.645 -8.127 274 HA LYS 42 HA LYS 42 10.366 14.626 -6.398 275 HB2 LYS 42 HB2 LYS 42 10.201 13.903 -9.327 276 HB3 LYS 42 HB3 LYS 42 11.579 13.674 -8.259 277 HG2 LYS 42 HG2 LYS 42 9.774 12.254 -6.907 278 HG3 LYS 42 HG3 LYS 42 9.101 12.087 -8.530 279 HD2 LYS 42 HD2 LYS 42 10.575 10.252 -8.201 280 HD3 LYS 42 HD3 LYS 42 11.392 11.375 -9.291 281 HE2 LYS 42 HE2 LYS 42 11.975 11.976 -6.525 282 HE3 LYS 42 HE3 LYS 42 12.386 10.307 -6.916 283 HZ1 LYS 42 HZ1 LYS 42 13.301 11.809 -9.032 284 HZ2 LYS 42 HZ2 LYS 42 14.235 11.096 -7.816 285 HZ3 LYS 42 HZ3 LYS 42 13.722 12.700 -7.657 286 H LEU 43 H LEU 43 11.301 16.538 -6.152 287 HA LEU 43 HA LEU 43 11.384 18.368 -8.459 288 HB2 LEU 43 HB2 LEU 43 10.065 18.802 -6.050 289 HB3 LEU 43 HB3 LEU 43 11.566 19.714 -5.902 290 HG LEU 43 HG LEU 43 10.751 20.515 -8.350 291 HD11 LEU 43 HD11 LEU 43 8.516 20.525 -8.664 292 HD12 LEU 43 HD12 LEU 43 8.162 20.649 -6.941 293 HD13 LEU 43 HD13 LEU 43 8.592 19.089 -7.642 294 HD21 LEU 43 HD21 LEU 43 10.334 22.569 -7.364 295 HD22 LEU 43 HD22 LEU 43 11.366 21.774 -6.174 296 HD23 LEU 43 HD23 LEU 43 9.622 21.847 -5.921 297 H GLN 44 H GLN 44 13.296 19.410 -8.852 298 HA GLN 44 HA GLN 44 15.541 18.764 -7.057 299 HB2 GLN 44 HB2 GLN 44 15.409 17.561 -9.351 300 HB3 GLN 44 HB3 GLN 44 15.887 19.116 -10.019 301 HG2 GLN 44 HG2 GLN 44 17.883 17.946 -9.788 302 HG3 GLN 44 HG3 GLN 44 17.845 19.023 -8.393 303 HE21 GLN 44 HE21 GLN 44 16.650 15.791 -9.257 304 HE22 GLN 44 HE22 GLN 44 17.163 15.026 -7.796 305 H ILE 45 H ILE 45 17.017 20.362 -6.639 306 HA ILE 45 HA ILE 45 16.652 22.952 -7.969 307 HB ILE 45 HB ILE 45 16.702 24.169 -5.893 308 HG12 ILE 45 HG12 ILE 45 16.845 21.461 -4.551 309 HG13 ILE 45 HG13 ILE 45 18.132 22.661 -4.602 310 HG21 ILE 45 HG21 ILE 45 14.655 21.996 -5.536 311 HG22 ILE 45 HG22 ILE 45 14.531 23.697 -5.091 312 HG23 ILE 45 HG23 ILE 45 14.533 23.228 -6.791 313 HD11 ILE 45 HD11 ILE 45 15.791 22.482 -2.867 314 HD12 ILE 45 HD12 ILE 45 17.350 23.264 -2.603 315 HD13 ILE 45 HD13 ILE 45 16.091 24.093 -3.519 316 H LYS 46 H LYS 46 18.457 24.488 -7.399 317 HA LYS 46 HA LYS 46 20.964 23.093 -6.782 318 HB2 LYS 46 HB2 LYS 46 20.927 23.132 -9.176 319 HB3 LYS 46 HB3 LYS 46 20.420 24.816 -9.200 320 HG2 LYS 46 HG2 LYS 46 22.782 24.538 -9.791 321 HG3 LYS 46 HG3 LYS 46 22.566 25.513 -8.335 322 HD2 LYS 46 HD2 LYS 46 24.400 23.933 -8.054 323 HD3 LYS 46 HD3 LYS 46 23.073 23.552 -6.954 324 HE2 LYS 46 HE2 LYS 46 24.084 21.566 -8.079 325 HE3 LYS 46 HE3 LYS 46 22.350 21.746 -8.340 326 HZ1 LYS 46 HZ1 LYS 46 24.429 22.640 -10.261 327 HZ2 LYS 46 HZ2 LYS 46 22.757 22.625 -10.512 328 HZ3 LYS 46 HZ3 LYS 46 23.603 21.167 -10.369 329 H VAL 47 H VAL 47 22.162 24.158 -5.346 330 HA VAL 47 HA VAL 47 21.470 26.954 -4.762 331 HB VAL 47 HB VAL 47 22.980 24.968 -3.057 332 HG11 VAL 47 HG11 VAL 47 23.764 27.018 -2.339 333 HG12 VAL 47 HG12 VAL 47 22.245 27.842 -2.695 334 HG13 VAL 47 HG13 VAL 47 22.365 26.779 -1.293 335 HG21 VAL 47 HG21 VAL 47 20.409 25.971 -2.100 336 HG22 VAL 47 HG22 VAL 47 20.287 25.003 -3.570 337 HG23 VAL 47 HG23 VAL 47 21.045 24.326 -2.129 338 H ASN 48 H ASN 48 23.030 28.548 -4.635 339 HA ASN 48 HA ASN 48 25.557 27.907 -5.980 340 HB2 ASN 48 HB2 ASN 48 25.610 30.078 -6.790 341 HB3 ASN 48 HB3 ASN 48 23.877 29.772 -6.735 342 HD21 ASN 48 HD21 ASN 48 22.802 30.429 -4.666 343 HD22 ASN 48 HD22 ASN 48 23.307 31.922 -3.959 344 H ASP 49 H ASP 49 27.261 29.779 -5.253 345 HA ASP 49 HA ASP 49 28.272 28.970 -2.801 346 HB2 ASP 49 HB2 ASP 49 28.778 31.326 -4.574 347 HB3 ASP 49 HB3 ASP 49 29.510 31.290 -2.972 348 H GLU 50 H GLU 50 26.417 31.907 -3.567 349 HA GLU 50 HA GLU 50 26.422 33.100 -1.074 350 HB2 GLU 50 HB2 GLU 50 25.219 33.622 -3.480 351 HB3 GLU 50 HB3 GLU 50 23.836 33.249 -2.461 352 HG2 GLU 50 HG2 GLU 50 23.901 35.315 -1.690 353 HG3 GLU 50 HG3 GLU 50 25.461 34.957 -0.950 354 H GLY 51 H GLY 51 24.117 30.709 -2.352 355 HA2 GLY 51 HA2 GLY 51 23.468 28.930 -0.752 356 HA3 GLY 51 HA3 GLY 51 23.271 30.209 0.436 357 H ILE 52 H ILE 52 22.267 30.728 -2.844 358 HA ILE 52 HA ILE 52 19.458 30.412 -2.009 359 HB ILE 52 HB ILE 52 20.712 32.607 -3.642 360 HG12 ILE 52 HG12 ILE 52 19.238 33.953 -2.002 361 HG13 ILE 52 HG13 ILE 52 19.114 32.449 -1.095 362 HG21 ILE 52 HG21 ILE 52 17.844 31.727 -3.542 363 HG22 ILE 52 HG22 ILE 52 18.301 33.381 -3.944 364 HG23 ILE 52 HG23 ILE 52 18.851 32.045 -4.954 365 HD11 ILE 52 HD11 ILE 52 21.073 34.362 -0.833 366 HD12 ILE 52 HD12 ILE 52 21.136 32.709 -0.219 367 HD13 ILE 52 HD13 ILE 52 21.853 33.097 -1.783 368 H ILE 53 H ILE 53 18.061 29.472 -3.438 369 HA ILE 53 HA ILE 53 19.081 27.715 -5.369 370 HB ILE 53 HB ILE 53 16.255 28.748 -5.096 371 HG12 ILE 53 HG12 ILE 53 16.997 27.702 -3.041 372 HG13 ILE 53 HG13 ILE 53 15.888 26.613 -3.867 373 HG21 ILE 53 HG21 ILE 53 17.515 26.828 -6.915 374 HG22 ILE 53 HG22 ILE 53 16.069 26.228 -6.104 375 HG23 ILE 53 HG23 ILE 53 15.992 27.705 -7.064 376 HD11 ILE 53 HD11 ILE 53 17.793 25.329 -4.707 377 HD12 ILE 53 HD12 ILE 53 18.889 26.408 -3.842 378 HD13 ILE 53 HD13 ILE 53 17.759 25.395 -2.945 379 H GLU 54 H GLU 54 19.822 28.101 -7.340 380 HA GLU 54 HA GLU 54 18.923 30.534 -8.732 381 HB2 GLU 54 HB2 GLU 54 21.268 30.655 -8.378 382 HB3 GLU 54 HB3 GLU 54 21.503 28.984 -8.870 383 HG2 GLU 54 HG2 GLU 54 22.286 30.495 -10.585 384 HG3 GLU 54 HG3 GLU 54 20.900 29.571 -11.162 385 H ASP 55 H ASP 55 19.120 27.090 -8.886 386 HA ASP 55 HA ASP 55 17.724 27.156 -11.468 387 HB2 ASP 55 HB2 ASP 55 20.347 26.147 -11.048 388 HB3 ASP 55 HB3 ASP 55 19.288 24.767 -11.322 389 H ALA 56 H ALA 56 16.215 25.509 -11.799 390 HA ALA 56 HA ALA 56 15.784 23.581 -9.650 391 HB1 ALA 56 HB1 ALA 56 13.408 25.141 -10.556 392 HB2 ALA 56 HB2 ALA 56 13.674 24.269 -9.047 393 HB3 ALA 56 HB3 ALA 56 14.471 25.818 -9.322 394 H ARG 57 H ARG 57 15.573 21.671 -10.596 395 HA ARG 57 HA ARG 57 14.402 21.546 -13.292 396 HB2 ARG 57 HB2 ARG 57 16.686 20.265 -12.053 397 HB3 ARG 57 HB3 ARG 57 15.576 19.073 -12.718 398 HG2 ARG 57 HG2 ARG 57 16.796 21.382 -14.218 399 HG3 ARG 57 HG3 ARG 57 17.283 19.689 -14.333 400 HD2 ARG 57 HD2 ARG 57 15.716 19.309 -15.859 401 HD3 ARG 57 HD3 ARG 57 14.466 19.883 -14.756 402 HE ARG 57 HE ARG 57 15.926 21.980 -16.088 403 HH11 ARG 57 HH11 ARG 57 13.204 19.815 -16.243 404 HH12 ARG 57 HH12 ARG 57 12.310 20.808 -17.345 405 HH21 ARG 57 HH21 ARG 57 14.759 23.296 -17.540 406 HH22 ARG 57 HH22 ARG 57 13.196 22.788 -18.083 407 H PHE 58 H PHE 58 12.616 20.359 -13.679 408 HA PHE 58 HA PHE 58 11.583 18.663 -11.509 409 HB2 PHE 58 HB2 PHE 58 10.389 20.828 -11.517 410 HB3 PHE 58 HB3 PHE 58 9.938 20.560 -13.197 411 HD1 PHE 58 HD1 PHE 58 9.736 18.815 -9.905 412 HD2 PHE 58 HD2 PHE 58 7.850 19.713 -13.614 413 HE1 PHE 58 HE1 PHE 58 7.720 17.615 -9.166 414 HE2 PHE 58 HE2 PHE 58 5.830 18.515 -12.880 415 HZ PHE 58 HZ PHE 58 5.763 17.464 -10.654 416 H LYS 59 H LYS 59 10.177 16.957 -12.174 417 HA LYS 59 HA LYS 59 10.342 16.298 -15.040 418 HB2 LYS 59 HB2 LYS 59 11.302 14.791 -12.716 419 HB3 LYS 59 HB3 LYS 59 10.277 13.847 -13.789 420 HG2 LYS 59 HG2 LYS 59 12.228 15.385 -15.267 421 HG3 LYS 59 HG3 LYS 59 12.989 14.328 -14.076 422 HD2 LYS 59 HD2 LYS 59 10.815 13.092 -15.620 423 HD3 LYS 59 HD3 LYS 59 12.230 13.554 -16.569 424 HE2 LYS 59 HE2 LYS 59 13.010 11.543 -15.928 425 HE3 LYS 59 HE3 LYS 59 13.416 12.389 -14.435 426 HZ1 LYS 59 HZ1 LYS 59 11.386 11.627 -13.445 427 HZ2 LYS 59 HZ2 LYS 59 12.214 10.290 -14.067 428 HZ3 LYS 59 HZ3 LYS 59 10.878 10.917 -14.894 429 H THR 60 H THR 60 8.660 14.914 -15.841 430 HA THR 60 HA THR 60 6.102 15.543 -14.721 431 HB THR 60 HB THR 60 6.248 13.443 -16.800 432 HG1 THR 60 HG1 THR 60 7.386 16.011 -17.093 433 HG21 THR 60 HG21 THR 60 4.730 16.032 -16.478 434 HG22 THR 60 HG22 THR 60 4.118 14.400 -16.211 435 HG23 THR 60 HG23 THR 60 4.539 14.929 -17.839 436 H TYR 61 H TYR 61 5.020 14.434 -13.238 437 HA TYR 61 HA TYR 61 4.789 11.633 -13.177 438 HB2 TYR 61 HB2 TYR 61 7.211 12.183 -12.266 439 HB3 TYR 61 HB3 TYR 61 6.331 12.529 -10.781 440 HD1 TYR 61 HD1 TYR 61 4.604 10.642 -10.075 441 HD2 TYR 61 HD2 TYR 61 7.968 10.029 -12.607 442 HE1 TYR 61 HE1 TYR 61 4.567 8.243 -9.534 443 HE2 TYR 61 HE2 TYR 61 7.940 7.629 -12.073 444 HH TYR 61 HH TYR 61 6.552 5.947 -11.224 445 H GLY 62 H GLY 62 2.615 12.297 -13.009 446 HA2 GLY 62 HA2 GLY 62 1.036 12.032 -11.061 447 HA3 GLY 62 HA3 GLY 62 1.874 13.418 -10.378 448 H CYS 63 H CYS 63 -0.965 12.762 -11.461 449 HA CYS 63 HA CYS 63 -2.677 14.009 -12.296 450 HB2 CYS 63 HB2 CYS 63 -0.692 15.949 -11.561 451 HB3 CYS 63 HB3 CYS 63 -1.483 16.463 -13.046 452 HG CYS 63 HG CYS 63 -3.231 15.579 -10.244 453 H GLY 64 H GLY 64 -0.004 15.482 -14.123 454 HA2 GLY 64 HA2 GLY 64 0.599 15.218 -16.346 455 HA3 GLY 64 HA3 GLY 64 -0.583 13.924 -16.479 456 H SER 65 H SER 65 0.067 16.343 -18.168 457 HA SER 65 HA SER 65 -1.058 17.806 -19.498 458 HB2 SER 65 HB2 SER 65 -3.736 16.856 -18.627 459 HB3 SER 65 HB3 SER 65 -3.110 17.132 -20.252 460 HG SER 65 HG SER 65 -2.934 15.038 -20.289 461 H ALA 66 H ALA 66 -0.637 19.739 -18.546 462 HA ALA 66 HA ALA 66 -1.013 21.684 -17.425 463 HB1 ALA 66 HB1 ALA 66 -3.166 21.552 -18.636 464 HB2 ALA 66 HB2 ALA 66 -3.864 20.720 -17.246 465 HB3 ALA 66 HB3 ALA 66 -3.295 22.381 -17.085 466 H ILE 67 H ILE 67 0.152 21.465 -15.577 467 HA ILE 67 HA ILE 67 -1.348 20.686 -13.182 468 HB ILE 67 HB ILE 67 1.498 19.798 -13.648 469 HG12 ILE 67 HG12 ILE 67 0.161 17.485 -13.572 470 HG13 ILE 67 HG13 ILE 67 -1.107 18.493 -14.261 471 HG21 ILE 67 HG21 ILE 67 1.373 19.732 -11.398 472 HG22 ILE 67 HG22 ILE 67 -0.389 19.698 -11.390 473 HG23 ILE 67 HG23 ILE 67 0.519 18.218 -11.697 474 HD11 ILE 67 HD11 ILE 67 1.328 19.014 -15.637 475 HD12 ILE 67 HD12 ILE 67 1.058 17.272 -15.574 476 HD13 ILE 67 HD13 ILE 67 -0.176 18.332 -16.254 477 H ALA 68 H ALA 68 -1.494 22.949 -12.797 478 HA ALA 68 HA ALA 68 0.700 24.696 -12.662 479 HB1 ALA 68 HB1 ALA 68 -1.834 24.902 -11.045 480 HB2 ALA 68 HB2 ALA 68 -0.753 26.212 -11.523 481 HB3 ALA 68 HB3 ALA 68 -1.704 25.365 -12.743 482 H SER 69 H SER 69 -0.457 22.281 -10.472 483 HA SER 69 HA SER 69 0.409 23.117 -8.013 484 HB2 SER 69 HB2 SER 69 0.543 20.358 -9.241 485 HB3 SER 69 HB3 SER 69 0.864 20.676 -7.537 486 HG SER 69 HG SER 69 -1.538 21.400 -8.859 487 H SER 70 H SER 70 2.359 21.548 -10.532 488 HA SER 70 HA SER 70 4.783 21.870 -8.978 489 HB2 SER 70 HB2 SER 70 5.831 20.520 -10.565 490 HB3 SER 70 HB3 SER 70 4.174 19.919 -10.604 491 HG SER 70 HG SER 70 5.513 21.564 -12.459 492 H SER 71 H SER 71 3.269 23.288 -11.826 493 HA SER 71 HA SER 71 5.353 24.818 -12.808 494 HB2 SER 71 HB2 SER 71 2.642 24.582 -13.339 495 HB3 SER 71 HB3 SER 71 2.818 26.265 -12.844 496 HG SER 71 HG SER 71 3.908 26.672 -14.607 497 H LEU 72 H LEU 72 3.080 25.581 -10.202 498 HA LEU 72 HA LEU 72 4.184 28.181 -9.725 499 HB2 LEU 72 HB2 LEU 72 2.686 28.308 -7.882 500 HB3 LEU 72 HB3 LEU 72 1.836 27.534 -9.218 501 HG LEU 72 HG LEU 72 2.751 25.366 -7.866 502 HD11 LEU 72 HD11 LEU 72 2.230 25.794 -5.473 503 HD12 LEU 72 HD12 LEU 72 2.200 27.520 -5.833 504 HD13 LEU 72 HD13 LEU 72 3.691 26.602 -6.043 505 HD21 LEU 72 HD21 LEU 72 0.525 24.984 -7.309 506 HD22 LEU 72 HD22 LEU 72 0.418 26.072 -8.692 507 HD23 LEU 72 HD23 LEU 72 0.191 26.697 -7.058 508 H VAL 73 H VAL 73 4.591 24.972 -8.337 509 HA VAL 73 HA VAL 73 6.105 25.715 -6.081 510 HB VAL 73 HB VAL 73 5.936 23.152 -7.648 511 HG11 VAL 73 HG11 VAL 73 7.992 22.699 -6.839 512 HG12 VAL 73 HG12 VAL 73 7.890 23.940 -5.588 513 HG13 VAL 73 HG13 VAL 73 7.109 22.376 -5.347 514 HG21 VAL 73 HG21 VAL 73 4.377 22.518 -6.153 515 HG22 VAL 73 HG22 VAL 73 5.217 23.274 -4.799 516 HG23 VAL 73 HG23 VAL 73 4.212 24.251 -5.870 517 H THR 74 H THR 74 7.042 24.876 -9.386 518 HA THR 74 HA THR 74 9.814 24.802 -9.019 519 HB THR 74 HB THR 74 9.793 25.596 -11.525 520 HG1 THR 74 HG1 THR 74 7.135 24.652 -11.379 521 HG21 THR 74 HG21 THR 74 10.238 23.299 -10.714 522 HG22 THR 74 HG22 THR 74 9.344 23.324 -12.233 523 HG23 THR 74 HG23 THR 74 8.503 22.987 -10.720 524 H GLU 75 H GLU 75 7.932 27.479 -10.452 525 HA GLU 75 HA GLU 75 9.951 29.367 -10.493 526 HB2 GLU 75 HB2 GLU 75 8.103 31.065 -10.430 527 HB3 GLU 75 HB3 GLU 75 7.907 29.810 -11.646 528 HG2 GLU 75 HG2 GLU 75 6.397 28.619 -10.050 529 HG3 GLU 75 HG3 GLU 75 6.481 30.040 -9.011 530 H TRP 76 H TRP 76 8.017 28.258 -7.823 531 HA TRP 76 HA TRP 76 8.496 30.407 -6.050 532 HB2 TRP 76 HB2 TRP 76 7.188 27.859 -5.966 533 HB3 TRP 76 HB3 TRP 76 8.225 28.015 -4.550 534 HD1 TRP 76 HD1 TRP 76 4.838 28.313 -5.012 535 HE1 TRP 76 HE1 TRP 76 3.739 30.250 -3.720 536 HE3 TRP 76 HE3 TRP 76 9.004 31.116 -4.053 537 HZ2 TRP 76 HZ2 TRP 76 4.534 32.648 -2.462 538 HZ3 TRP 76 HZ3 TRP 76 8.749 33.218 -2.800 539 HH2 TRP 76 HH2 TRP 76 6.559 33.967 -2.022 540 H VAL 77 H VAL 77 10.090 27.243 -6.404 541 HA VAL 77 HA VAL 77 12.095 27.836 -4.449 542 HB VAL 77 HB VAL 77 13.204 25.770 -5.303 543 HG11 VAL 77 HG11 VAL 77 10.272 25.324 -4.792 544 HG12 VAL 77 HG12 VAL 77 11.624 24.273 -4.365 545 HG13 VAL 77 HG13 VAL 77 11.406 25.814 -3.534 546 HG21 VAL 77 HG21 VAL 77 12.457 25.984 -7.643 547 HG22 VAL 77 HG22 VAL 77 12.085 24.401 -6.959 548 HG23 VAL 77 HG23 VAL 77 10.811 25.608 -7.134 549 H LYS 78 H LYS 78 11.829 28.112 -7.927 550 HA LYS 78 HA LYS 78 14.570 28.478 -8.502 551 HB2 LYS 78 HB2 LYS 78 12.020 28.773 -9.913 552 HB3 LYS 78 HB3 LYS 78 13.243 29.924 -10.437 553 HG2 LYS 78 HG2 LYS 78 14.623 27.545 -10.338 554 HG3 LYS 78 HG3 LYS 78 13.031 27.071 -10.934 555 HD2 LYS 78 HD2 LYS 78 14.300 29.479 -12.125 556 HD3 LYS 78 HD3 LYS 78 14.956 27.900 -12.563 557 HE2 LYS 78 HE2 LYS 78 12.564 27.222 -13.085 558 HE3 LYS 78 HE3 LYS 78 12.159 28.933 -12.959 559 HZ1 LYS 78 HZ1 LYS 78 12.977 27.702 -15.210 560 HZ2 LYS 78 HZ2 LYS 78 14.423 28.380 -14.655 561 HZ3 LYS 78 HZ3 LYS 78 13.079 29.368 -14.933 562 H GLY 79 H GLY 79 15.465 29.918 -7.019 563 HA2 GLY 79 HA2 GLY 79 16.343 32.145 -6.937 564 HA3 GLY 79 HA3 GLY 79 14.807 32.735 -7.553 565 H LYS 80 H LYS 80 15.342 30.464 -4.896 566 HA LYS 80 HA LYS 80 14.537 32.512 -2.969 567 HB2 LYS 80 HB2 LYS 80 12.658 30.802 -3.959 568 HB3 LYS 80 HB3 LYS 80 13.229 29.903 -2.559 569 HG2 LYS 80 HG2 LYS 80 11.563 31.096 -1.584 570 HG3 LYS 80 HG3 LYS 80 12.893 32.236 -1.367 571 HD2 LYS 80 HD2 LYS 80 12.118 33.135 -3.695 572 HD3 LYS 80 HD3 LYS 80 10.602 32.330 -3.284 573 HE2 LYS 80 HE2 LYS 80 10.219 33.710 -1.458 574 HE3 LYS 80 HE3 LYS 80 11.915 34.169 -1.323 575 HZ1 LYS 80 HZ1 LYS 80 10.078 35.743 -2.387 576 HZ2 LYS 80 HZ2 LYS 80 10.559 34.922 -3.786 577 HZ3 LYS 80 HZ3 LYS 80 11.699 35.775 -2.872 578 H SER 81 H SER 81 15.735 32.421 -1.183 579 HA SER 81 HA SER 81 17.884 30.707 -0.854 580 HB2 SER 81 HB2 SER 81 18.054 31.574 1.420 581 HB3 SER 81 HB3 SER 81 17.626 32.880 0.315 582 HG SER 81 HG SER 81 15.664 32.991 1.171 583 H LEU 82 H LEU 82 18.161 29.368 1.274 584 HA LEU 82 HA LEU 82 16.507 27.089 1.027 585 HB2 LEU 82 HB2 LEU 82 18.273 27.708 3.378 586 HB3 LEU 82 HB3 LEU 82 17.809 26.127 2.752 587 HG LEU 82 HG LEU 82 19.606 28.074 1.310 588 HD11 LEU 82 HD11 LEU 82 21.156 27.453 2.786 589 HD12 LEU 82 HD12 LEU 82 21.104 25.874 2.002 590 HD13 LEU 82 HD13 LEU 82 20.138 26.173 3.447 591 HD21 LEU 82 HD21 LEU 82 18.912 25.184 0.796 592 HD22 LEU 82 HD22 LEU 82 20.138 26.107 -0.073 593 HD23 LEU 82 HD23 LEU 82 18.440 26.569 -0.187 594 H ASP 83 H ASP 83 16.839 29.456 3.671 595 HA ASP 83 HA ASP 83 14.827 28.436 5.313 596 HB2 ASP 83 HB2 ASP 83 16.188 31.070 5.031 597 HB3 ASP 83 HB3 ASP 83 14.700 31.019 5.973 598 H GLU 84 H GLU 84 14.649 30.982 2.836 599 HA GLU 84 HA GLU 84 11.984 31.678 3.119 600 HB2 GLU 84 HB2 GLU 84 13.916 31.733 0.847 601 HB3 GLU 84 HB3 GLU 84 12.218 32.032 0.501 602 HG2 GLU 84 HG2 GLU 84 13.819 33.553 2.544 603 HG3 GLU 84 HG3 GLU 84 13.566 34.081 0.881 604 H ALA 85 H ALA 85 13.328 29.295 0.829 605 HA ALA 85 HA ALA 85 10.883 28.357 -0.145 606 HB1 ALA 85 HB1 ALA 85 13.016 27.904 -1.242 607 HB2 ALA 85 HB2 ALA 85 13.489 26.858 0.097 608 HB3 ALA 85 HB3 ALA 85 12.129 26.411 -0.933 609 H GLN 86 H GLN 86 12.865 27.213 2.563 610 HA GLN 86 HA GLN 86 11.186 25.017 3.211 611 HB2 GLN 86 HB2 GLN 86 13.681 25.692 3.929 612 HB3 GLN 86 HB3 GLN 86 12.819 26.280 5.344 613 HG2 GLN 86 HG2 GLN 86 11.822 23.703 4.778 614 HG3 GLN 86 HG3 GLN 86 13.580 23.619 4.680 615 HE21 GLN 86 HE21 GLN 86 11.237 25.334 6.726 616 HE22 GLN 86 HE22 GLN 86 11.937 24.848 8.228 617 H ALA 87 H ALA 87 10.811 28.341 3.607 618 HA ALA 87 HA ALA 87 9.209 28.197 6.017 619 HB1 ALA 87 HB1 ALA 87 9.002 30.566 5.845 620 HB2 ALA 87 HB2 ALA 87 10.674 30.150 5.468 621 HB3 ALA 87 HB3 ALA 87 9.551 30.550 4.169 622 H ILE 88 H ILE 88 8.737 27.873 2.653 623 HA ILE 88 HA ILE 88 6.210 28.875 2.202 624 HB ILE 88 HB ILE 88 7.335 26.286 1.128 625 HG12 ILE 88 HG12 ILE 88 7.328 28.988 -0.211 626 HG13 ILE 88 HG13 ILE 88 8.668 28.442 0.791 627 HG21 ILE 88 HG21 ILE 88 4.961 26.363 0.767 628 HG22 ILE 88 HG22 ILE 88 5.065 28.017 0.164 629 HG23 ILE 88 HG23 ILE 88 5.777 26.695 -0.761 630 HD11 ILE 88 HD11 ILE 88 7.801 26.588 -1.324 631 HD12 ILE 88 HD12 ILE 88 8.555 28.091 -1.857 632 HD13 ILE 88 HD13 ILE 88 9.421 27.008 -0.768 633 H LYS 89 H LYS 89 4.122 28.121 2.439 634 HA LYS 89 HA LYS 89 3.788 25.798 4.223 635 HB2 LYS 89 HB2 LYS 89 2.080 28.292 4.156 636 HB3 LYS 89 HB3 LYS 89 1.878 26.922 5.240 637 HG2 LYS 89 HG2 LYS 89 4.219 28.815 5.174 638 HG3 LYS 89 HG3 LYS 89 2.941 28.760 6.391 639 HD2 LYS 89 HD2 LYS 89 3.637 26.436 6.934 640 HD3 LYS 89 HD3 LYS 89 4.985 26.618 5.809 641 HE2 LYS 89 HE2 LYS 89 6.169 27.444 7.502 642 HE3 LYS 89 HE3 LYS 89 5.120 28.861 7.453 643 HZ1 LYS 89 HZ1 LYS 89 4.496 28.321 9.496 644 HZ2 LYS 89 HZ2 LYS 89 5.308 26.839 9.438 645 HZ3 LYS 89 HZ3 LYS 89 3.722 26.956 8.862 646 H ASN 90 H ASN 90 2.284 24.302 3.679 647 HA ASN 90 HA ASN 90 1.463 23.933 1.091 648 HB2 ASN 90 HB2 ASN 90 0.005 22.221 1.886 649 HB3 ASN 90 HB3 ASN 90 1.380 22.257 2.986 650 HD21 ASN 90 HD21 ASN 90 1.079 23.607 4.957 651 HD22 ASN 90 HD22 ASN 90 -0.473 23.571 5.715 652 H THR 91 H THR 91 -0.260 25.602 3.683 653 HA THR 91 HA THR 91 -2.736 25.979 2.579 654 HB THR 91 HB THR 91 -2.372 26.807 4.772 655 HG1 THR 91 HG1 THR 91 -2.602 29.195 3.262 656 HG21 THR 91 HG21 THR 91 -0.315 28.654 3.558 657 HG22 THR 91 HG22 THR 91 -0.009 27.308 4.655 658 HG23 THR 91 HG23 THR 91 -0.875 28.733 5.227 659 H ASP 92 H ASP 92 0.253 27.651 1.783 660 HA ASP 92 HA ASP 92 -0.959 29.620 0.113 661 HB2 ASP 92 HB2 ASP 92 1.883 28.638 0.390 662 HB3 ASP 92 HB3 ASP 92 1.420 29.920 -0.727 663 H ILE 93 H ILE 93 0.573 26.486 -0.466 664 HA ILE 93 HA ILE 93 0.393 26.635 -3.307 665 HB ILE 93 HB ILE 93 0.801 24.291 -1.454 666 HG12 ILE 93 HG12 ILE 93 3.106 24.440 -2.659 667 HG13 ILE 93 HG13 ILE 93 2.599 26.075 -3.069 668 HG21 ILE 93 HG21 ILE 93 0.796 24.396 -4.462 669 HG22 ILE 93 HG22 ILE 93 1.520 23.085 -3.533 670 HG23 ILE 93 HG23 ILE 93 -0.211 23.398 -3.413 671 HD11 ILE 93 HD11 ILE 93 3.015 26.827 -1.017 672 HD12 ILE 93 HD12 ILE 93 2.250 25.434 -0.251 673 HD13 ILE 93 HD13 ILE 93 3.923 25.331 -0.800 674 H ALA 94 H ALA 94 -1.742 25.580 -0.768 675 HA ALA 94 HA ALA 94 -3.512 24.076 -2.429 676 HB1 ALA 94 HB1 ALA 94 -4.363 23.455 -0.476 677 HB2 ALA 94 HB2 ALA 94 -3.205 24.521 0.319 678 HB3 ALA 94 HB3 ALA 94 -4.814 25.116 -0.090 679 H GLU 95 H GLU 95 -3.801 27.289 -0.900 680 HA GLU 95 HA GLU 95 -6.200 27.958 -2.259 681 HB2 GLU 95 HB2 GLU 95 -4.185 29.836 -1.016 682 HB3 GLU 95 HB3 GLU 95 -5.867 30.195 -1.381 683 HG2 GLU 95 HG2 GLU 95 -5.065 28.022 0.525 684 HG3 GLU 95 HG3 GLU 95 -5.295 29.695 1.032 685 H GLU 96 H GLU 96 -2.851 28.148 -3.093 686 HA GLU 96 HA GLU 96 -2.769 30.189 -4.944 687 HB2 GLU 96 HB2 GLU 96 -1.233 27.767 -4.409 688 HB3 GLU 96 HB3 GLU 96 -1.227 28.205 -6.112 689 HG2 GLU 96 HG2 GLU 96 -0.650 30.280 -4.051 690 HG3 GLU 96 HG3 GLU 96 0.601 29.129 -4.515 691 H LEU 97 H LEU 97 -3.812 26.835 -5.436 692 HA LEU 97 HA LEU 97 -4.975 27.664 -8.014 693 HB2 LEU 97 HB2 LEU 97 -4.350 24.814 -7.378 694 HB3 LEU 97 HB3 LEU 97 -4.495 25.603 -8.948 695 HG LEU 97 HG LEU 97 -2.202 26.058 -7.044 696 HD11 LEU 97 HD11 LEU 97 -2.678 23.970 -9.094 697 HD12 LEU 97 HD12 LEU 97 -1.761 23.896 -7.590 698 HD13 LEU 97 HD13 LEU 97 -1.069 24.686 -9.007 699 HD21 LEU 97 HD21 LEU 97 -1.890 27.802 -8.408 700 HD22 LEU 97 HD22 LEU 97 -3.034 27.192 -9.604 701 HD23 LEU 97 HD23 LEU 97 -1.370 26.604 -9.594 702 H GLU 98 H GLU 98 -5.801 27.097 -4.949 703 HA GLU 98 HA GLU 98 -7.675 26.415 -3.843 704 HB2 GLU 98 HB2 GLU 98 -8.801 27.232 -6.517 705 HB3 GLU 98 HB3 GLU 98 -9.827 26.738 -5.178 706 HG2 GLU 98 HG2 GLU 98 -8.802 28.544 -3.810 707 HG3 GLU 98 HG3 GLU 98 -7.948 29.085 -5.254 708 H LEU 99 H LEU 99 -6.450 24.231 -4.202 709 HA LEU 99 HA LEU 99 -7.425 22.310 -5.985 710 HB2 LEU 99 HB2 LEU 99 -5.987 22.213 -3.377 711 HB3 LEU 99 HB3 LEU 99 -6.642 20.720 -4.045 712 HG LEU 99 HG LEU 99 -4.235 21.094 -4.543 713 HD11 LEU 99 HD11 LEU 99 -5.745 19.706 -5.963 714 HD12 LEU 99 HD12 LEU 99 -4.362 20.387 -6.820 715 HD13 LEU 99 HD13 LEU 99 -5.960 21.107 -7.012 716 HD21 LEU 99 HD21 LEU 99 -5.144 23.235 -6.443 717 HD22 LEU 99 HD22 LEU 99 -3.500 22.803 -5.971 718 HD23 LEU 99 HD23 LEU 99 -4.566 23.607 -4.819 719 HA PRO 100 HA PRO 100 -11.380 21.192 -4.433 720 HB2 PRO 100 HB2 PRO 100 -11.480 18.586 -5.187 721 HB3 PRO 100 HB3 PRO 100 -11.619 19.923 -6.334 722 HG2 PRO 100 HG2 PRO 100 -9.236 18.239 -5.668 723 HG3 PRO 100 HG3 PRO 100 -9.811 18.788 -7.253 724 HD2 PRO 100 HD2 PRO 100 -7.766 19.992 -5.949 725 HD3 PRO 100 HD3 PRO 100 -8.880 20.882 -7.007 726 HA PRO 101 HA PRO 101 -10.945 19.336 -0.463 727 HB2 PRO 101 HB2 PRO 101 -13.469 18.416 -0.070 728 HB3 PRO 101 HB3 PRO 101 -13.051 20.132 -0.005 729 HG2 PRO 101 HG2 PRO 101 -14.273 18.564 -2.243 730 HG3 PRO 101 HG3 PRO 101 -14.699 20.178 -1.645 731 HD2 PRO 101 HD2 PRO 101 -13.190 19.796 -3.861 732 HD3 PRO 101 HD3 PRO 101 -12.974 21.194 -2.787 733 H VAL 102 H VAL 102 -11.604 17.526 -3.250 734 HA VAL 102 HA VAL 102 -12.105 14.969 -2.225 735 HB VAL 102 HB VAL 102 -11.158 14.123 -4.370 736 HG11 VAL 102 HG11 VAL 102 -12.903 16.431 -5.076 737 HG12 VAL 102 HG12 VAL 102 -13.000 14.745 -5.585 738 HG13 VAL 102 HG13 VAL 102 -13.517 15.209 -3.964 739 HG21 VAL 102 HG21 VAL 102 -10.653 15.990 -6.064 740 HG22 VAL 102 HG22 VAL 102 -10.387 17.009 -4.650 741 HG23 VAL 102 HG23 VAL 102 -9.401 15.568 -4.896 742 H LYS 103 H LYS 103 -9.052 16.623 -2.928 743 HA LYS 103 HA LYS 103 -7.675 15.026 -0.973 744 HB2 LYS 103 HB2 LYS 103 -7.719 13.651 -3.136 745 HB3 LYS 103 HB3 LYS 103 -6.632 14.866 -3.795 746 HG2 LYS 103 HG2 LYS 103 -5.127 13.320 -3.061 747 HG3 LYS 103 HG3 LYS 103 -5.246 14.344 -1.628 748 HD2 LYS 103 HD2 LYS 103 -7.216 12.167 -1.766 749 HD3 LYS 103 HD3 LYS 103 -5.536 11.643 -1.621 750 HE2 LYS 103 HE2 LYS 103 -6.420 13.839 0.158 751 HE3 LYS 103 HE3 LYS 103 -7.070 12.234 0.490 752 HZ1 LYS 103 HZ1 LYS 103 -4.175 12.607 0.087 753 HZ2 LYS 103 HZ2 LYS 103 -4.985 11.389 0.936 754 HZ3 LYS 103 HZ3 LYS 103 -4.873 12.944 1.591 755 H ILE 104 H ILE 104 -7.918 17.544 -0.600 756 HA ILE 104 HA ILE 104 -6.340 19.400 -1.909 757 HB ILE 104 HB ILE 104 -6.967 19.252 1.041 758 HG12 ILE 104 HG12 ILE 104 -8.305 20.718 -1.243 759 HG13 ILE 104 HG13 ILE 104 -8.961 19.341 -0.364 760 HG21 ILE 104 HG21 ILE 104 -5.934 21.553 -0.610 761 HG22 ILE 104 HG22 ILE 104 -6.495 21.670 1.057 762 HG23 ILE 104 HG23 ILE 104 -5.069 20.706 0.673 763 HD11 ILE 104 HD11 ILE 104 -8.826 22.185 0.389 764 HD12 ILE 104 HD12 ILE 104 -10.050 20.966 0.745 765 HD13 ILE 104 HD13 ILE 104 -8.556 21.015 1.681 766 H HIS 105 H HIS 105 -5.391 16.805 0.156 767 HA HIS 105 HA HIS 105 -2.968 17.656 1.173 768 HB2 HIS 105 HB2 HIS 105 -4.332 15.244 1.033 769 HB3 HIS 105 HB3 HIS 105 -2.828 14.920 0.176 770 HD1 HIS 105 HD1 HIS 105 -3.873 16.473 3.494 771 HD2 HIS 105 HD2 HIS 105 -0.829 14.184 1.835 772 HE1 HIS 105 HE1 HIS 105 -2.341 15.906 5.406 773 H CYS 106 H CYS 106 -3.830 16.961 -2.095 774 HA CYS 106 HA CYS 106 -1.356 16.339 -3.212 775 HB2 CYS 106 HB2 CYS 106 -3.955 17.211 -4.164 776 HB3 CYS 106 HB3 CYS 106 -2.656 17.918 -5.116 777 HG CYS 106 HG CYS 106 -2.416 15.867 -6.626 778 H SER 107 H SER 107 -2.489 19.283 -1.878 779 HA SER 107 HA SER 107 -0.554 20.930 -3.285 780 HB2 SER 107 HB2 SER 107 -2.267 22.360 -2.915 781 HB3 SER 107 HB3 SER 107 -2.906 21.395 -1.584 782 HG SER 107 HG SER 107 -2.028 22.783 -0.293 783 H ILE 108 H ILE 108 -0.932 19.332 -0.215 784 HA ILE 108 HA ILE 108 1.165 20.741 1.126 785 HB ILE 108 HB ILE 108 -0.188 18.119 1.760 786 HG12 ILE 108 HG12 ILE 108 -0.458 20.541 3.457 787 HG13 ILE 108 HG13 ILE 108 -1.268 20.575 1.894 788 HG21 ILE 108 HG21 ILE 108 1.996 19.605 3.160 789 HG22 ILE 108 HG22 ILE 108 0.844 18.639 4.081 790 HG23 ILE 108 HG23 ILE 108 1.843 17.877 2.843 791 HD11 ILE 108 HD11 ILE 108 -1.709 18.118 3.410 792 HD12 ILE 108 HD12 ILE 108 -2.325 19.577 4.187 793 HD13 ILE 108 HD13 ILE 108 -2.854 19.155 2.558 794 H LEU 109 H LEU 109 1.022 18.081 -1.059 795 HA LEU 109 HA LEU 109 3.532 16.908 -0.328 796 HB2 LEU 109 HB2 LEU 109 1.793 16.623 -2.770 797 HB3 LEU 109 HB3 LEU 109 3.279 15.710 -2.515 798 HG LEU 109 HG LEU 109 0.738 15.544 -0.900 799 HD11 LEU 109 HD11 LEU 109 2.048 13.863 -2.973 800 HD12 LEU 109 HD12 LEU 109 0.340 14.212 -2.712 801 HD13 LEU 109 HD13 LEU 109 1.174 13.063 -1.666 802 HD21 LEU 109 HD21 LEU 109 3.506 14.746 -0.279 803 HD22 LEU 109 HD22 LEU 109 2.269 13.522 0.009 804 HD23 LEU 109 HD23 LEU 109 2.153 15.096 0.797 805 H ALA 110 H ALA 110 2.473 19.406 -2.516 806 HA ALA 110 HA ALA 110 4.857 19.518 -4.075 807 HB1 ALA 110 HB1 ALA 110 3.617 20.863 -5.328 808 HB2 ALA 110 HB2 ALA 110 2.323 20.731 -4.136 809 HB3 ALA 110 HB3 ALA 110 3.501 22.039 -4.017 810 H GLU 111 H GLU 111 3.774 21.033 -1.104 811 HA GLU 111 HA GLU 111 6.057 22.823 -1.019 812 HB2 GLU 111 HB2 GLU 111 5.073 23.774 0.912 813 HB3 GLU 111 HB3 GLU 111 3.740 23.427 -0.180 814 HG2 GLU 111 HG2 GLU 111 2.753 22.335 1.466 815 HG3 GLU 111 HG3 GLU 111 4.039 21.132 1.382 816 H ASP 112 H ASP 112 5.213 19.684 0.064 817 HA ASP 112 HA ASP 112 7.165 19.611 2.201 818 HB2 ASP 112 HB2 ASP 112 5.295 17.574 1.008 819 HB3 ASP 112 HB3 ASP 112 6.529 17.120 2.181 820 H ALA 113 H ALA 113 7.134 19.140 -1.163 821 HA ALA 113 HA ALA 113 9.369 17.298 -1.217 822 HB1 ALA 113 HB1 ALA 113 8.501 16.815 -3.199 823 HB2 ALA 113 HB2 ALA 113 7.373 18.165 -3.066 824 HB3 ALA 113 HB3 ALA 113 8.970 18.416 -3.773 825 H ILE 114 H ILE 114 8.764 20.705 -2.005 826 HA ILE 114 HA ILE 114 11.291 21.377 -2.953 827 HB ILE 114 HB ILE 114 10.768 23.701 -2.230 828 HG12 ILE 114 HG12 ILE 114 8.115 23.598 -1.485 829 HG13 ILE 114 HG13 ILE 114 8.815 22.247 -0.601 830 HG21 ILE 114 HG21 ILE 114 8.671 22.126 -3.702 831 HG22 ILE 114 HG22 ILE 114 8.662 23.886 -3.606 832 HG23 ILE 114 HG23 ILE 114 10.011 23.052 -4.377 833 HD11 ILE 114 HD11 ILE 114 10.479 24.587 -0.397 834 HD12 ILE 114 HD12 ILE 114 8.829 24.922 0.131 835 HD13 ILE 114 HD13 ILE 114 9.744 23.609 0.873 836 H LYS 115 H LYS 115 10.080 21.197 0.355 837 HA LYS 115 HA LYS 115 12.431 22.286 1.553 838 HB2 LYS 115 HB2 LYS 115 11.432 21.779 3.632 839 HB3 LYS 115 HB3 LYS 115 10.098 22.200 2.567 840 HG2 LYS 115 HG2 LYS 115 9.598 19.841 2.236 841 HG3 LYS 115 HG3 LYS 115 10.956 19.401 3.274 842 HD2 LYS 115 HD2 LYS 115 8.530 20.991 4.110 843 HD3 LYS 115 HD3 LYS 115 8.835 19.294 4.488 844 HE2 LYS 115 HE2 LYS 115 11.113 20.391 5.404 845 HE3 LYS 115 HE3 LYS 115 10.009 21.744 5.646 846 HZ1 LYS 115 HZ1 LYS 115 10.265 20.079 7.532 847 HZ2 LYS 115 HZ2 LYS 115 9.341 19.024 6.587 848 HZ3 LYS 115 HZ3 LYS 115 8.688 20.502 7.087 849 H ALA 116 H ALA 116 11.364 19.079 0.658 850 HA ALA 116 HA ALA 116 13.166 17.552 2.164 851 HB1 ALA 116 HB1 ALA 116 12.817 15.817 0.390 852 HB2 ALA 116 HB2 ALA 116 11.335 16.468 1.094 853 HB3 ALA 116 HB3 ALA 116 11.867 17.009 -0.498 854 H ALA 117 H ALA 117 13.612 19.455 -0.700 855 HA ALA 117 HA ALA 117 16.109 18.225 -1.447 856 HB1 ALA 117 HB1 ALA 117 15.147 19.087 -3.322 857 HB2 ALA 117 HB2 ALA 117 14.446 20.461 -2.467 858 HB3 ALA 117 HB3 ALA 117 16.162 20.458 -2.872 859 H ILE 118 H ILE 118 15.066 20.959 0.463 860 HA ILE 118 HA ILE 118 17.520 22.338 0.595 861 HB ILE 118 HB ILE 118 15.324 22.252 2.667 862 HG12 ILE 118 HG12 ILE 118 15.754 24.312 0.503 863 HG13 ILE 118 HG13 ILE 118 14.672 22.937 0.310 864 HG21 ILE 118 HG21 ILE 118 17.628 24.139 2.233 865 HG22 ILE 118 HG22 ILE 118 16.237 24.522 3.245 866 HG23 ILE 118 HG23 ILE 118 17.281 23.162 3.659 867 HD11 ILE 118 HD11 ILE 118 14.217 25.449 1.612 868 HD12 ILE 118 HD12 ILE 118 13.073 24.168 1.211 869 HD13 ILE 118 HD13 ILE 118 13.956 24.116 2.736 870 H ALA 119 H ALA 119 16.217 19.634 2.412 871 HA ALA 119 HA ALA 119 18.327 19.666 4.375 872 HB1 ALA 119 HB1 ALA 119 15.839 18.220 3.955 873 HB2 ALA 119 HB2 ALA 119 17.142 17.185 4.540 874 HB3 ALA 119 HB3 ALA 119 16.678 18.620 5.454 875 H ASP 120 H ASP 120 17.856 18.349 1.240 876 HA ASP 120 HA ASP 120 19.720 16.183 1.489 877 HB2 ASP 120 HB2 ASP 120 17.768 16.814 -0.320 878 HB3 ASP 120 HB3 ASP 120 19.226 17.242 -1.211 879 H TYR 121 H TYR 121 19.844 19.503 0.306 880 HA TYR 121 HA TYR 121 22.446 19.380 -0.786 881 HB2 TYR 121 HB2 TYR 121 21.014 21.183 -1.439 882 HB3 TYR 121 HB3 TYR 121 20.791 21.693 0.231 883 HD1 TYR 121 HD2 TYR 121 23.937 20.816 -1.559 884 HD2 TYR 121 HD1 TYR 121 21.626 23.868 0.298 885 HE1 TYR 121 HE2 TYR 121 25.825 22.377 -1.788 886 HE2 TYR 121 HE1 TYR 121 23.506 25.438 0.073 887 HH TYR 121 HH TYR 121 25.767 25.558 -0.325 888 H LYS 122 H LYS 122 21.264 20.537 2.364 889 HA LYS 122 HA LYS 122 23.714 21.297 3.448 890 HB2 LYS 122 HB2 LYS 122 21.446 20.063 5.012 891 HB3 LYS 122 HB3 LYS 122 22.651 21.205 5.594 892 HG2 LYS 122 HG2 LYS 122 21.352 22.414 3.400 893 HG3 LYS 122 HG3 LYS 122 20.103 21.721 4.437 894 HD2 LYS 122 HD2 LYS 122 21.769 22.866 6.267 895 HD3 LYS 122 HD3 LYS 122 21.910 23.984 4.908 896 HE2 LYS 122 HE2 LYS 122 19.318 23.847 4.862 897 HE3 LYS 122 HE3 LYS 122 19.491 23.235 6.506 898 HZ1 LYS 122 HZ1 LYS 122 19.303 25.473 6.868 899 HZ2 LYS 122 HZ2 LYS 122 20.106 25.902 5.443 900 HZ3 LYS 122 HZ3 LYS 122 20.986 25.331 6.770 901 H SER 123 H SER 123 22.395 18.154 2.895 902 HA SER 123 HA SER 123 24.174 16.808 4.730 903 HB2 SER 123 HB2 SER 123 22.369 15.692 2.570 904 HB3 SER 123 HB3 SER 123 23.214 14.739 3.789 905 HG SER 123 HG SER 123 21.315 16.773 4.353 906 H LYS 124 H LYS 124 24.209 17.826 1.438 907 HA LYS 124 HA LYS 124 26.180 15.992 0.495 908 HB2 LYS 124 HB2 LYS 124 25.233 18.663 -0.549 909 HB3 LYS 124 HB3 LYS 124 26.409 17.658 -1.385 910 HG2 LYS 124 HG2 LYS 124 23.715 16.591 -0.631 911 HG3 LYS 124 HG3 LYS 124 23.958 17.522 -2.111 912 HD2 LYS 124 HD2 LYS 124 25.702 15.170 -1.465 913 HD3 LYS 124 HD3 LYS 124 24.122 14.947 -2.221 914 HE2 LYS 124 HE2 LYS 124 25.035 16.815 -3.850 915 HE3 LYS 124 HE3 LYS 124 26.595 16.204 -3.301 916 HZ1 LYS 124 HZ1 LYS 124 25.273 13.937 -3.864 917 HZ2 LYS 124 HZ2 LYS 124 26.314 14.726 -4.938 918 HZ3 LYS 124 HZ3 LYS 124 24.645 14.977 -5.041 919 H ARG 125 H ARG 125 26.272 18.918 2.313 920 HA ARG 125 HA ARG 125 29.196 19.054 1.977 921 HB2 ARG 125 HB2 ARG 125 29.074 21.391 2.612 922 HB3 ARG 125 HB3 ARG 125 27.987 21.087 1.264 923 HG2 ARG 125 HG2 ARG 125 26.274 21.881 2.415 924 HG3 ARG 125 HG3 ARG 125 26.570 20.731 3.719 925 HD2 ARG 125 HD2 ARG 125 27.608 22.261 5.001 926 HD3 ARG 125 HD3 ARG 125 28.436 22.993 3.627 927 HE ARG 125 HE ARG 125 26.740 24.527 3.459 928 HH11 ARG 125 HH11 ARG 125 25.739 21.919 5.537 929 HH12 ARG 125 HH12 ARG 125 24.291 22.716 6.057 930 HH21 ARG 125 HH21 ARG 125 24.837 25.587 4.137 931 HH22 ARG 125 HH22 ARG 125 23.779 24.802 5.259 932 H GLU 126 H GLU 126 26.807 18.061 4.051 933 HA GLU 126 HA GLU 126 27.594 18.920 6.571 934 HB2 GLU 126 HB2 GLU 126 26.375 17.091 7.457 935 HB3 GLU 126 HB3 GLU 126 25.552 17.549 5.972 936 HG2 GLU 126 HG2 GLU 126 25.609 15.370 5.512 937 HG3 GLU 126 HG3 GLU 126 27.286 15.671 5.059 938 H ALA 127 H ALA 127 29.091 16.650 4.426 939 HA ALA 127 HA ALA 127 31.455 16.553 6.029 940 HB1 ALA 127 HB1 ALA 127 31.500 14.186 6.500 941 HB2 ALA 127 HB2 ALA 127 30.055 14.901 7.214 942 HB3 ALA 127 HB3 ALA 127 29.932 13.969 5.722 943 H LYS 128 H LYS 128 33.019 16.671 4.574 944 HA LYS 128 HA LYS 128 33.131 14.834 2.353 945 HB2 LYS 128 HB2 LYS 128 31.733 16.976 1.721 946 HB3 LYS 128 HB3 LYS 128 33.321 17.718 1.581 947 HG2 LYS 128 HG2 LYS 128 32.819 17.007 -0.578 948 HG3 LYS 128 HG3 LYS 128 33.904 15.762 0.045 949 HD2 LYS 128 HD2 LYS 128 32.259 14.184 0.142 950 HD3 LYS 128 HD3 LYS 128 30.988 15.371 0.447 951 HE2 LYS 128 HE2 LYS 128 30.547 14.605 -1.715 952 HE3 LYS 128 HE3 LYS 128 31.389 16.134 -1.965 953 HZ1 LYS 128 HZ1 LYS 128 33.362 14.226 -1.859 954 HZ2 LYS 128 HZ2 LYS 128 32.790 15.011 -3.243 955 HZ3 LYS 128 HZ3 LYS 128 32.137 13.518 -2.788 Start of MODEL 8 1 H1 MET 1 H MET 1 -20.760 19.304 -2.727 2 HA MET 1 HA MET 1 -20.860 21.337 -1.617 3 HB2 MET 1 HB2 MET 1 -19.135 19.994 0.038 4 HB3 MET 1 HB3 MET 1 -18.131 21.318 -0.535 5 HG2 MET 1 HG2 MET 1 -19.584 22.941 0.343 6 HG3 MET 1 HG3 MET 1 -20.873 21.766 0.591 7 HE1 MET 1 HE1 MET 1 -19.932 19.396 2.629 8 HE2 MET 1 HE2 MET 1 -20.522 20.455 3.910 9 HE3 MET 1 HE3 MET 1 -21.297 20.471 2.325 10 H ALA 2 H ALA 2 -20.669 23.043 -2.900 11 HA ALA 2 HA ALA 2 -19.801 24.617 -4.302 12 HB1 ALA 2 HB1 ALA 2 -17.866 25.314 -3.473 13 HB2 ALA 2 HB2 ALA 2 -17.546 23.725 -2.776 14 HB3 ALA 2 HB3 ALA 2 -17.050 24.078 -4.431 15 H TYR 3 H TYR 3 -17.400 22.068 -4.879 16 HA TYR 3 HA TYR 3 -16.876 20.851 -6.727 17 HB2 TYR 3 HB2 TYR 3 -19.724 20.831 -6.578 18 HB3 TYR 3 HB3 TYR 3 -19.266 20.970 -8.272 19 HD1 TYR 3 HD1 TYR 3 -17.051 19.348 -8.739 20 HD2 TYR 3 HD2 TYR 3 -20.186 18.672 -5.944 21 HE1 TYR 3 HE1 TYR 3 -16.589 16.934 -8.815 22 HE2 TYR 3 HE2 TYR 3 -19.733 16.255 -6.011 23 HH TYR 3 HH TYR 3 -18.707 14.617 -7.527 24 H SER 4 H SER 4 -15.433 21.998 -7.869 25 HA SER 4 HA SER 4 -16.317 23.385 -10.223 26 HB2 SER 4 HB2 SER 4 -15.563 25.563 -9.739 27 HB3 SER 4 HB3 SER 4 -16.433 25.081 -8.283 28 HG SER 4 HG SER 4 -14.627 25.114 -7.192 29 H GLU 5 H GLU 5 -14.554 23.945 -11.648 30 HA GLU 5 HA GLU 5 -11.853 23.356 -11.027 31 HB2 GLU 5 HB2 GLU 5 -11.580 21.345 -12.424 32 HB3 GLU 5 HB3 GLU 5 -12.620 21.050 -11.037 33 HG2 GLU 5 HG2 GLU 5 -13.848 20.023 -12.637 34 HG3 GLU 5 HG3 GLU 5 -14.512 21.650 -12.779 35 H LYS 6 H LYS 6 -10.600 23.018 -13.242 36 HA LYS 6 HA LYS 6 -11.752 24.168 -15.572 37 HB2 LYS 6 HB2 LYS 6 -11.129 26.063 -13.709 38 HB3 LYS 6 HB3 LYS 6 -9.636 25.989 -14.636 39 HG2 LYS 6 HG2 LYS 6 -11.490 26.085 -16.619 40 HG3 LYS 6 HG3 LYS 6 -12.261 27.061 -15.367 41 HD2 LYS 6 HD2 LYS 6 -9.802 28.087 -15.229 42 HD3 LYS 6 HD3 LYS 6 -9.779 27.558 -16.913 43 HE2 LYS 6 HE2 LYS 6 -11.887 28.807 -17.284 44 HE3 LYS 6 HE3 LYS 6 -11.792 29.400 -15.626 45 HZ1 LYS 6 HZ1 LYS 6 -10.470 30.357 -17.948 46 HZ2 LYS 6 HZ2 LYS 6 -9.342 29.952 -16.755 47 HZ3 LYS 6 HZ3 LYS 6 -10.574 31.060 -16.413 48 H VAL 7 H VAL 7 -10.204 21.868 -14.877 49 HA VAL 7 HA VAL 7 -7.806 22.363 -16.519 50 HB VAL 7 HB VAL 7 -8.051 20.409 -14.227 51 HG11 VAL 7 HG11 VAL 7 -6.635 19.390 -15.793 52 HG12 VAL 7 HG12 VAL 7 -5.877 20.921 -16.235 53 HG13 VAL 7 HG13 VAL 7 -5.543 20.192 -14.664 54 HG21 VAL 7 HG21 VAL 7 -7.419 22.098 -12.931 55 HG22 VAL 7 HG22 VAL 7 -5.912 22.189 -13.842 56 HG23 VAL 7 HG23 VAL 7 -7.294 23.174 -14.323 57 H ILE 8 H ILE 8 -9.101 21.780 -18.357 58 HA ILE 8 HA ILE 8 -9.810 18.929 -18.497 59 HB ILE 8 HB ILE 8 -11.641 20.482 -19.013 60 HG12 ILE 8 HG12 ILE 8 -10.946 19.299 -21.662 61 HG13 ILE 8 HG13 ILE 8 -11.086 18.214 -20.284 62 HG21 ILE 8 HG21 ILE 8 -10.249 22.319 -19.882 63 HG22 ILE 8 HG22 ILE 8 -9.935 21.370 -21.334 64 HG23 ILE 8 HG23 ILE 8 -11.575 21.907 -20.969 65 HD11 ILE 8 HD11 ILE 8 -13.136 19.220 -21.904 66 HD12 ILE 8 HD12 ILE 8 -13.287 18.234 -20.449 67 HD13 ILE 8 HD13 ILE 8 -13.321 19.993 -20.330 68 H ASP 9 H ASP 9 -7.834 21.429 -19.911 69 HA ASP 9 HA ASP 9 -7.009 19.859 -22.173 70 HB2 ASP 9 HB2 ASP 9 -6.582 22.567 -21.182 71 HB3 ASP 9 HB3 ASP 9 -5.110 21.855 -21.836 72 H HIS 10 H HIS 10 -6.187 17.938 -21.343 73 HA HIS 10 HA HIS 10 -3.434 18.060 -20.515 74 HB2 HIS 10 HB2 HIS 10 -4.707 18.303 -18.366 75 HB3 HIS 10 HB3 HIS 10 -5.407 16.714 -18.660 76 HD1 HIS 10 HD1 HIS 10 -3.748 14.667 -18.554 77 HD2 HIS 10 HD2 HIS 10 -2.156 18.300 -17.318 78 HE1 HIS 10 HE1 HIS 10 -1.633 14.090 -17.321 79 H TYR 11 H TYR 11 -3.092 16.926 -22.439 80 HA TYR 11 HA TYR 11 -3.435 14.066 -22.205 81 HB2 TYR 11 HB2 TYR 11 -5.094 15.691 -24.005 82 HB3 TYR 11 HB3 TYR 11 -4.281 14.345 -24.796 83 HD1 TYR 11 HD2 TYR 11 -4.680 12.017 -23.965 84 HD2 TYR 11 HD1 TYR 11 -6.952 15.335 -22.576 85 HE1 TYR 11 HE2 TYR 11 -6.404 10.477 -23.125 86 HE2 TYR 11 HE1 TYR 11 -8.682 13.805 -21.731 87 HH TYR 11 HH TYR 11 -9.429 11.673 -21.762 88 H GLU 12 H GLU 12 -2.506 16.715 -24.389 89 HA GLU 12 HA GLU 12 -0.716 15.342 -25.996 90 HB2 GLU 12 HB2 GLU 12 -1.422 18.052 -25.529 91 HB3 GLU 12 HB3 GLU 12 0.332 17.953 -25.481 92 HG2 GLU 12 HG2 GLU 12 -0.220 16.469 -27.683 93 HG3 GLU 12 HG3 GLU 12 -1.515 17.663 -27.734 94 H ASN 13 H ASN 13 1.711 15.694 -26.008 95 HA ASN 13 HA ASN 13 2.876 14.420 -23.832 96 HB2 ASN 13 HB2 ASN 13 3.912 15.926 -26.184 97 HB3 ASN 13 HB3 ASN 13 5.037 15.593 -24.871 98 HD21 ASN 13 HD21 ASN 13 5.463 14.551 -27.349 99 HD22 ASN 13 HD22 ASN 13 5.220 12.841 -27.318 100 HA PRO 14 HA PRO 14 3.682 17.457 -20.771 101 HB2 PRO 14 HB2 PRO 14 6.165 16.778 -19.908 102 HB3 PRO 14 HB3 PRO 14 4.727 15.815 -19.550 103 HG2 PRO 14 HG2 PRO 14 6.812 15.393 -21.655 104 HG3 PRO 14 HG3 PRO 14 6.045 14.204 -20.587 105 HD2 PRO 14 HD2 PRO 14 5.291 14.546 -23.165 106 HD3 PRO 14 HD3 PRO 14 4.150 14.067 -21.892 107 H ARG 15 H ARG 15 6.559 16.944 -22.821 108 HA ARG 15 HA ARG 15 8.111 18.389 -23.655 109 HB2 ARG 15 HB2 ARG 15 5.562 19.973 -23.849 110 HB3 ARG 15 HB3 ARG 15 7.091 20.639 -24.408 111 HG2 ARG 15 HG2 ARG 15 6.234 17.954 -25.374 112 HG3 ARG 15 HG3 ARG 15 5.495 19.403 -26.058 113 HD2 ARG 15 HD2 ARG 15 8.115 20.081 -26.137 114 HD3 ARG 15 HD3 ARG 15 8.220 18.336 -26.363 115 HE ARG 15 HE ARG 15 7.325 18.590 -28.453 116 HH11 ARG 15 HH11 ARG 15 6.768 21.494 -26.615 117 HH12 ARG 15 HH12 ARG 15 6.154 22.387 -27.966 118 HH21 ARG 15 HH21 ARG 15 6.518 19.757 -30.240 119 HH22 ARG 15 HH22 ARG 15 6.011 21.398 -30.027 120 H ASN 16 H ASN 16 7.968 18.277 -20.821 121 HA ASN 16 HA ASN 16 9.338 20.737 -20.199 122 HB2 ASN 16 HB2 ASN 16 7.906 21.170 -18.168 123 HB3 ASN 16 HB3 ASN 16 7.125 21.507 -19.710 124 HD21 ASN 16 HD21 ASN 16 5.097 21.314 -18.712 125 HD22 ASN 16 HD22 ASN 16 4.429 19.769 -18.324 126 H VAL 17 H VAL 17 10.686 18.573 -20.271 127 HA VAL 17 HA VAL 17 10.794 17.499 -17.527 128 HB VAL 17 HB VAL 17 11.850 16.154 -20.015 129 HG11 VAL 17 HG11 VAL 17 11.927 14.166 -18.535 130 HG12 VAL 17 HG12 VAL 17 13.011 15.461 -18.023 131 HG13 VAL 17 HG13 VAL 17 11.485 15.200 -17.178 132 HG21 VAL 17 HG21 VAL 17 9.250 15.766 -18.543 133 HG22 VAL 17 HG22 VAL 17 9.473 16.232 -20.230 134 HG23 VAL 17 HG23 VAL 17 9.905 14.607 -19.699 135 H GLY 18 H GLY 18 12.523 18.030 -16.366 136 HA2 GLY 18 HA2 GLY 18 14.867 19.114 -17.788 137 HA3 GLY 18 HA3 GLY 18 14.413 19.516 -16.138 138 H SER 19 H SER 19 14.787 17.978 -14.471 139 HA SER 19 HA SER 19 16.004 16.414 -13.355 140 HB2 SER 19 HB2 SER 19 15.865 14.316 -14.192 141 HB3 SER 19 HB3 SER 19 14.955 15.071 -15.501 142 HG SER 19 HG SER 19 16.491 14.207 -16.668 143 H PHE 20 H PHE 20 18.223 15.216 -13.441 144 HA PHE 20 HA PHE 20 20.172 16.912 -14.852 145 HB2 PHE 20 HB2 PHE 20 21.587 16.982 -12.914 146 HB3 PHE 20 HB3 PHE 20 19.976 17.489 -12.416 147 HD1 PHE 20 HD2 PHE 20 22.485 14.827 -12.224 148 HD2 PHE 20 HD1 PHE 20 18.660 16.159 -10.914 149 HE1 PHE 20 HE2 PHE 20 22.494 13.109 -10.463 150 HE2 PHE 20 HE1 PHE 20 18.664 14.444 -9.150 151 HZ PHE 20 HZ PHE 20 20.581 12.915 -8.923 152 H ASP 21 H ASP 21 21.975 15.906 -15.661 153 HA ASP 21 HA ASP 21 22.043 12.971 -15.398 154 HB2 ASP 21 HB2 ASP 21 21.456 14.177 -17.685 155 HB3 ASP 21 HB3 ASP 21 23.208 14.325 -17.791 156 H ASN 22 H ASN 22 23.883 15.943 -15.510 157 HA ASN 22 HA ASN 22 26.427 14.581 -15.285 158 HB2 ASN 22 HB2 ASN 22 25.511 17.315 -15.787 159 HB3 ASN 22 HB3 ASN 22 26.906 17.239 -14.715 160 HD21 ASN 22 HD21 ASN 22 26.270 17.890 -17.697 161 HD22 ASN 22 HD22 ASN 22 27.581 17.133 -18.529 162 H ASN 23 H ASN 23 24.035 15.924 -13.193 163 HA ASN 23 HA ASN 23 23.836 16.004 -10.928 164 HB2 ASN 23 HB2 ASN 23 24.690 13.639 -11.154 165 HB3 ASN 23 HB3 ASN 23 26.304 14.262 -10.829 166 HD21 ASN 23 HD21 ASN 23 26.937 14.231 -8.802 167 HD22 ASN 23 HD22 ASN 23 25.908 14.174 -7.416 168 H ASP 24 H ASP 24 24.840 16.877 -8.963 169 HA ASP 24 HA ASP 24 27.349 18.316 -9.376 170 HB2 ASP 24 HB2 ASP 24 24.991 19.625 -9.815 171 HB3 ASP 24 HB3 ASP 24 25.263 19.962 -8.108 172 H GLU 25 H GLU 25 27.397 19.843 -7.119 173 HA GLU 25 HA GLU 25 27.167 17.840 -4.970 174 HB2 GLU 25 HB2 GLU 25 29.060 19.293 -3.927 175 HB3 GLU 25 HB3 GLU 25 29.456 18.126 -5.181 176 HG2 GLU 25 HG2 GLU 25 30.103 19.704 -6.624 177 HG3 GLU 25 HG3 GLU 25 28.781 20.786 -6.190 178 H ASN 26 H ASN 26 26.015 20.758 -6.098 179 HA ASN 26 HA ASN 26 25.149 21.551 -3.395 180 HB2 ASN 26 HB2 ASN 26 24.962 23.745 -5.234 181 HB3 ASN 26 HB3 ASN 26 25.908 23.625 -3.753 182 HD21 ASN 26 HD21 ASN 26 26.070 24.095 -7.005 183 HD22 ASN 26 HD22 ASN 26 27.729 23.690 -7.270 184 H VAL 27 H VAL 27 23.932 19.778 -5.488 185 HA VAL 27 HA VAL 27 21.500 21.293 -6.121 186 HB VAL 27 HB VAL 27 22.494 18.632 -7.144 187 HG11 VAL 27 HG11 VAL 27 19.820 19.722 -7.067 188 HG12 VAL 27 HG12 VAL 27 20.364 19.470 -8.727 189 HG13 VAL 27 HG13 VAL 27 20.371 18.128 -7.581 190 HG21 VAL 27 HG21 VAL 27 23.143 19.697 -9.045 191 HG22 VAL 27 HG22 VAL 27 21.893 20.934 -8.914 192 HG23 VAL 27 HG23 VAL 27 23.343 21.037 -7.916 193 H GLY 28 H GLY 28 19.625 20.922 -5.105 194 HA2 GLY 28 HA2 GLY 28 19.576 18.768 -3.102 195 HA3 GLY 28 HA3 GLY 28 18.571 20.210 -3.077 196 H SER 29 H SER 29 18.357 17.029 -3.379 197 HA SER 29 HA SER 29 16.288 17.099 -5.470 198 HB2 SER 29 HB2 SER 29 16.629 14.448 -4.946 199 HB3 SER 29 HB3 SER 29 17.509 15.330 -6.194 200 HG SER 29 HG SER 29 18.463 14.144 -3.994 201 H GLY 30 H GLY 30 14.213 16.854 -4.933 202 HA2 GLY 30 HA2 GLY 30 13.594 15.783 -2.251 203 HA3 GLY 30 HA3 GLY 30 12.799 17.221 -2.874 204 H MET 31 H MET 31 12.564 13.915 -2.514 205 HA MET 31 HA MET 31 10.483 13.770 -4.595 206 HB2 MET 31 HB2 MET 31 12.380 12.331 -5.157 207 HB3 MET 31 HB3 MET 31 12.265 11.544 -3.588 208 HG2 MET 31 HG2 MET 31 9.752 11.457 -5.014 209 HG3 MET 31 HG3 MET 31 11.064 10.740 -5.947 210 HE1 MET 31 HE1 MET 31 8.598 8.835 -2.898 211 HE2 MET 31 HE2 MET 31 8.374 10.291 -3.868 212 HE3 MET 31 HE3 MET 31 8.486 8.715 -4.654 213 H VAL 32 H VAL 32 8.489 13.442 -3.869 214 HA VAL 32 HA VAL 32 8.105 12.037 -1.319 215 HB VAL 32 HB VAL 32 6.439 13.632 -0.578 216 HG11 VAL 32 HG11 VAL 32 7.874 15.457 0.014 217 HG12 VAL 32 HG12 VAL 32 8.843 13.983 -0.016 218 HG13 VAL 32 HG13 VAL 32 8.937 15.129 -1.354 219 HG21 VAL 32 HG21 VAL 32 7.042 15.004 -3.184 220 HG22 VAL 32 HG22 VAL 32 5.485 14.445 -2.574 221 HG23 VAL 32 HG23 VAL 32 6.274 15.837 -1.833 222 H GLY 33 H GLY 33 6.131 10.940 -1.105 223 HA2 GLY 33 HA2 GLY 33 4.203 11.039 -3.274 224 HA3 GLY 33 HA3 GLY 33 5.112 9.539 -3.154 225 H ALA 34 H ALA 34 2.527 9.199 -2.944 226 HA ALA 34 HA ALA 34 2.167 8.484 -0.144 227 HB1 ALA 34 HB1 ALA 34 0.827 10.215 0.271 228 HB2 ALA 34 HB2 ALA 34 0.728 10.651 -1.436 229 HB3 ALA 34 HB3 ALA 34 -0.350 9.420 -0.775 230 HA PRO 35 HA PRO 35 0.429 4.842 -1.883 231 HB2 PRO 35 HB2 PRO 35 -1.180 4.049 0.155 232 HB3 PRO 35 HB3 PRO 35 0.582 3.927 0.219 233 HG2 PRO 35 HG2 PRO 35 -1.217 6.009 1.399 234 HG3 PRO 35 HG3 PRO 35 0.195 5.213 2.118 235 HD2 PRO 35 HD2 PRO 35 0.310 7.699 1.053 236 HD3 PRO 35 HD3 PRO 35 1.686 6.578 1.011 237 H ALA 36 H ALA 36 -1.990 6.833 -0.172 238 HA ALA 36 HA ALA 36 -4.122 5.911 -1.874 239 HB1 ALA 36 HB1 ALA 36 -5.246 7.967 -0.584 240 HB2 ALA 36 HB2 ALA 36 -5.036 6.374 0.145 241 HB3 ALA 36 HB3 ALA 36 -3.885 7.663 0.496 242 H CYS 37 H CYS 37 -1.903 8.571 -1.821 243 HA CYS 37 HA CYS 37 -3.414 10.294 -3.533 244 HB2 CYS 37 HB2 CYS 37 -1.597 11.027 -1.932 245 HB3 CYS 37 HB3 CYS 37 -0.431 10.355 -3.066 246 HG CYS 37 HG CYS 37 -2.116 12.187 -4.989 247 H GLY 38 H GLY 38 -1.149 7.692 -3.997 248 HA2 GLY 38 HA2 GLY 38 -0.292 6.706 -5.888 249 HA3 GLY 38 HA3 GLY 38 -1.827 7.155 -6.616 250 H ALA 39 H ALA 39 1.066 8.949 -5.550 251 HA ALA 39 HA ALA 39 1.730 9.718 -8.229 252 HB1 ALA 39 HB1 ALA 39 0.043 11.469 -6.599 253 HB2 ALA 39 HB2 ALA 39 1.474 12.256 -7.268 254 HB3 ALA 39 HB3 ALA 39 0.324 11.458 -8.341 255 H VAL 40 H VAL 40 3.501 11.487 -8.153 256 HA VAL 40 HA VAL 40 5.063 11.446 -5.694 257 HB VAL 40 HB VAL 40 7.132 10.826 -7.072 258 HG11 VAL 40 HG11 VAL 40 6.905 8.532 -6.540 259 HG12 VAL 40 HG12 VAL 40 5.949 9.409 -5.344 260 HG13 VAL 40 HG13 VAL 40 5.149 8.596 -6.690 261 HG21 VAL 40 HG21 VAL 40 5.605 10.974 -9.215 262 HG22 VAL 40 HG22 VAL 40 6.939 9.823 -9.123 263 HG23 VAL 40 HG23 VAL 40 5.286 9.283 -8.825 264 H MET 41 H MET 41 6.258 13.255 -5.415 265 HA MET 41 HA MET 41 6.249 15.200 -7.623 266 HB2 MET 41 HB2 MET 41 5.634 15.413 -4.802 267 HB3 MET 41 HB3 MET 41 6.898 16.548 -5.258 268 HG2 MET 41 HG2 MET 41 5.456 17.877 -6.289 269 HG3 MET 41 HG3 MET 41 4.747 16.534 -7.182 270 HE1 MET 41 HE1 MET 41 3.658 19.244 -5.933 271 HE2 MET 41 HE2 MET 41 2.284 18.386 -6.630 272 HE3 MET 41 HE3 MET 41 2.216 18.950 -4.960 273 H LYS 42 H LYS 42 8.144 15.112 -8.655 274 HA LYS 42 HA LYS 42 10.605 14.951 -7.045 275 HB2 LYS 42 HB2 LYS 42 10.260 14.287 -9.974 276 HB3 LYS 42 HB3 LYS 42 11.710 14.046 -9.009 277 HG2 LYS 42 HG2 LYS 42 9.996 12.606 -7.555 278 HG3 LYS 42 HG3 LYS 42 9.225 12.455 -9.136 279 HD2 LYS 42 HD2 LYS 42 10.716 10.623 -8.939 280 HD3 LYS 42 HD3 LYS 42 11.485 11.773 -10.035 281 HE2 LYS 42 HE2 LYS 42 12.221 12.355 -7.323 282 HE3 LYS 42 HE3 LYS 42 12.541 10.658 -7.680 283 HZ1 LYS 42 HZ1 LYS 42 14.467 11.641 -8.382 284 HZ2 LYS 42 HZ2 LYS 42 13.707 13.063 -8.895 285 HZ3 LYS 42 HZ3 LYS 42 13.587 11.656 -9.827 286 H LEU 43 H LEU 43 11.688 16.787 -6.851 287 HA LEU 43 HA LEU 43 11.768 18.641 -9.124 288 HB2 LEU 43 HB2 LEU 43 10.899 19.205 -6.331 289 HB3 LEU 43 HB3 LEU 43 11.776 20.452 -7.215 290 HG LEU 43 HG LEU 43 10.010 20.273 -9.002 291 HD11 LEU 43 HD11 LEU 43 7.846 19.347 -7.559 292 HD12 LEU 43 HD12 LEU 43 9.114 18.172 -7.214 293 HD13 LEU 43 HD13 LEU 43 8.657 18.510 -8.883 294 HD21 LEU 43 HD21 LEU 43 8.765 21.902 -8.005 295 HD22 LEU 43 HD22 LEU 43 10.141 21.878 -6.902 296 HD23 LEU 43 HD23 LEU 43 8.652 21.035 -6.473 297 H GLN 44 H GLN 44 13.628 19.972 -9.218 298 HA GLN 44 HA GLN 44 15.816 19.156 -7.423 299 HB2 GLN 44 HB2 GLN 44 15.610 18.787 -10.250 300 HB3 GLN 44 HB3 GLN 44 16.903 19.934 -9.927 301 HG2 GLN 44 HG2 GLN 44 18.068 17.986 -9.831 302 HG3 GLN 44 HG3 GLN 44 17.602 18.144 -8.138 303 HE21 GLN 44 HE21 GLN 44 15.974 16.995 -11.077 304 HE22 GLN 44 HE22 GLN 44 15.490 15.473 -10.418 305 H ILE 45 H ILE 45 17.603 20.726 -7.311 306 HA ILE 45 HA ILE 45 16.983 23.451 -8.108 307 HB ILE 45 HB ILE 45 17.217 24.383 -5.874 308 HG12 ILE 45 HG12 ILE 45 17.287 21.510 -4.928 309 HG13 ILE 45 HG13 ILE 45 18.651 22.622 -4.919 310 HG21 ILE 45 HG21 ILE 45 15.117 22.236 -5.740 311 HG22 ILE 45 HG22 ILE 45 15.067 23.859 -5.055 312 HG23 ILE 45 HG23 ILE 45 14.982 23.638 -6.802 313 HD11 ILE 45 HD11 ILE 45 16.790 22.187 -2.889 314 HD12 ILE 45 HD12 ILE 45 18.042 23.428 -2.954 315 HD13 ILE 45 HD13 ILE 45 16.418 23.781 -3.544 316 H LYS 46 H LYS 46 18.788 24.959 -7.506 317 HA LYS 46 HA LYS 46 21.365 23.593 -7.199 318 HB2 LYS 46 HB2 LYS 46 20.427 24.565 -9.649 319 HB3 LYS 46 HB3 LYS 46 21.559 25.787 -9.083 320 HG2 LYS 46 HG2 LYS 46 22.152 22.850 -9.394 321 HG3 LYS 46 HG3 LYS 46 22.652 24.132 -10.499 322 HD2 LYS 46 HD2 LYS 46 24.081 25.099 -8.868 323 HD3 LYS 46 HD3 LYS 46 23.404 24.096 -7.583 324 HE2 LYS 46 HE2 LYS 46 25.078 22.675 -7.951 325 HE3 LYS 46 HE3 LYS 46 24.297 22.278 -9.481 326 HZ1 LYS 46 HZ1 LYS 46 25.756 24.646 -9.815 327 HZ2 LYS 46 HZ2 LYS 46 26.016 23.142 -10.545 328 HZ3 LYS 46 HZ3 LYS 46 26.771 23.511 -9.077 329 H VAL 47 H VAL 47 22.160 24.438 -5.387 330 HA VAL 47 HA VAL 47 21.712 27.274 -4.798 331 HB VAL 47 HB VAL 47 22.931 25.191 -2.986 332 HG11 VAL 47 HG11 VAL 47 23.509 27.286 -2.146 333 HG12 VAL 47 HG12 VAL 47 21.965 28.004 -2.612 334 HG13 VAL 47 HG13 VAL 47 22.042 26.876 -1.257 335 HG21 VAL 47 HG21 VAL 47 20.596 25.352 -1.894 336 HG22 VAL 47 HG22 VAL 47 20.073 25.949 -3.469 337 HG23 VAL 47 HG23 VAL 47 20.792 24.345 -3.328 338 H ASN 48 H ASN 48 23.415 28.678 -4.281 339 HA ASN 48 HA ASN 48 25.936 27.986 -5.574 340 HB2 ASN 48 HB2 ASN 48 25.832 30.674 -4.509 341 HB3 ASN 48 HB3 ASN 48 26.008 30.143 -6.179 342 HD21 ASN 48 HD21 ASN 48 24.166 31.937 -4.200 343 HD22 ASN 48 HD22 ASN 48 22.656 31.867 -5.036 344 H ASP 49 H ASP 49 27.717 29.619 -4.305 345 HA ASP 49 HA ASP 49 28.337 28.083 -1.968 346 HB2 ASP 49 HB2 ASP 49 29.756 29.730 -3.783 347 HB3 ASP 49 HB3 ASP 49 29.976 30.427 -2.181 348 H GLU 50 H GLU 50 26.327 30.674 -2.463 349 HA GLU 50 HA GLU 50 26.845 31.933 0.120 350 HB2 GLU 50 HB2 GLU 50 25.656 32.764 -2.377 351 HB3 GLU 50 HB3 GLU 50 24.559 33.079 -1.040 352 HG2 GLU 50 HG2 GLU 50 27.366 34.088 -1.389 353 HG3 GLU 50 HG3 GLU 50 25.873 35.024 -1.369 354 H GLY 51 H GLY 51 24.155 30.361 -1.606 355 HA2 GLY 51 HA2 GLY 51 23.006 28.619 -0.198 356 HA3 GLY 51 HA3 GLY 51 22.894 29.878 1.022 357 H ILE 52 H ILE 52 22.448 30.453 -2.407 358 HA ILE 52 HA ILE 52 19.576 30.885 -1.901 359 HB ILE 52 HB ILE 52 21.358 32.497 -3.731 360 HG12 ILE 52 HG12 ILE 52 21.777 33.073 -1.420 361 HG13 ILE 52 HG13 ILE 52 20.821 34.356 -2.155 362 HG21 ILE 52 HG21 ILE 52 18.422 32.331 -3.374 363 HG22 ILE 52 HG22 ILE 52 19.121 33.933 -3.598 364 HG23 ILE 52 HG23 ILE 52 19.372 32.684 -4.817 365 HD11 ILE 52 HD11 ILE 52 20.166 32.533 0.039 366 HD12 ILE 52 HD12 ILE 52 19.584 34.163 -0.304 367 HD13 ILE 52 HD13 ILE 52 18.873 32.779 -1.135 368 H ILE 53 H ILE 53 18.133 30.295 -3.505 369 HA ILE 53 HA ILE 53 18.989 28.189 -5.238 370 HB ILE 53 HB ILE 53 16.315 29.581 -5.061 371 HG12 ILE 53 HG12 ILE 53 17.026 28.431 -2.984 372 HG13 ILE 53 HG13 ILE 53 15.623 27.669 -3.726 373 HG21 ILE 53 HG21 ILE 53 17.196 27.109 -6.528 374 HG22 ILE 53 HG22 ILE 53 15.508 27.454 -6.157 375 HG23 ILE 53 HG23 ILE 53 16.426 28.552 -7.187 376 HD11 ILE 53 HD11 ILE 53 17.989 26.446 -2.928 377 HD12 ILE 53 HD12 ILE 53 16.682 25.733 -3.875 378 HD13 ILE 53 HD13 ILE 53 18.057 26.480 -4.690 379 H GLU 54 H GLU 54 19.897 28.454 -7.158 380 HA GLU 54 HA GLU 54 19.364 30.924 -8.656 381 HB2 GLU 54 HB2 GLU 54 21.459 30.709 -9.667 382 HB3 GLU 54 HB3 GLU 54 21.747 30.186 -8.013 383 HG2 GLU 54 HG2 GLU 54 22.834 28.542 -9.143 384 HG3 GLU 54 HG3 GLU 54 21.233 27.815 -9.019 385 H ASP 55 H ASP 55 19.181 27.444 -8.805 386 HA ASP 55 HA ASP 55 17.641 27.678 -11.289 387 HB2 ASP 55 HB2 ASP 55 20.227 26.458 -11.053 388 HB3 ASP 55 HB3 ASP 55 19.033 25.216 -11.422 389 H ALA 56 H ALA 56 16.002 26.164 -11.541 390 HA ALA 56 HA ALA 56 15.621 24.207 -9.393 391 HB1 ALA 56 HB1 ALA 56 14.380 26.484 -9.058 392 HB2 ALA 56 HB2 ALA 56 13.264 25.820 -10.251 393 HB3 ALA 56 HB3 ALA 56 13.551 24.961 -8.738 394 H ARG 57 H ARG 57 15.475 22.314 -10.394 395 HA ARG 57 HA ARG 57 14.213 22.183 -13.038 396 HB2 ARG 57 HB2 ARG 57 16.524 20.987 -11.951 397 HB3 ARG 57 HB3 ARG 57 15.361 19.688 -12.178 398 HG2 ARG 57 HG2 ARG 57 15.414 19.844 -14.437 399 HG3 ARG 57 HG3 ARG 57 15.702 21.585 -14.420 400 HD2 ARG 57 HD2 ARG 57 17.727 19.453 -13.747 401 HD3 ARG 57 HD3 ARG 57 17.643 20.351 -15.262 402 HE ARG 57 HE ARG 57 17.841 22.108 -13.042 403 HH11 ARG 57 HH11 ARG 57 19.704 19.946 -15.035 404 HH12 ARG 57 HH12 ARG 57 21.200 20.778 -14.768 405 HH21 ARG 57 HH21 ARG 57 19.804 23.213 -12.682 406 HH22 ARG 57 HH22 ARG 57 21.256 22.637 -13.429 407 H PHE 58 H PHE 58 13.120 19.930 -13.405 408 HA PHE 58 HA PHE 58 11.773 18.757 -11.183 409 HB2 PHE 58 HB2 PHE 58 9.462 19.443 -11.946 410 HB3 PHE 58 HB3 PHE 58 10.412 20.715 -11.184 411 HD1 PHE 58 HD2 PHE 58 11.300 22.561 -12.498 412 HD2 PHE 58 HD1 PHE 58 8.888 19.536 -14.274 413 HE1 PHE 58 HE2 PHE 58 10.954 23.997 -14.466 414 HE2 PHE 58 HE1 PHE 58 8.539 20.967 -16.245 415 HZ PHE 58 HZ PHE 58 9.571 23.201 -16.342 416 H LYS 59 H LYS 59 10.208 17.092 -11.870 417 HA LYS 59 HA LYS 59 10.631 16.210 -14.645 418 HB2 LYS 59 HB2 LYS 59 11.439 14.885 -12.190 419 HB3 LYS 59 HB3 LYS 59 10.361 13.874 -13.144 420 HG2 LYS 59 HG2 LYS 59 12.354 15.094 -14.823 421 HG3 LYS 59 HG3 LYS 59 13.105 14.221 -13.485 422 HD2 LYS 59 HD2 LYS 59 12.021 12.196 -14.085 423 HD3 LYS 59 HD3 LYS 59 10.953 13.025 -15.220 424 HE2 LYS 59 HE2 LYS 59 12.435 12.792 -16.860 425 HE3 LYS 59 HE3 LYS 59 13.694 13.550 -15.888 426 HZ1 LYS 59 HZ1 LYS 59 12.945 10.712 -15.530 427 HZ2 LYS 59 HZ2 LYS 59 14.353 11.497 -15.021 428 HZ3 LYS 59 HZ3 LYS 59 14.103 11.191 -16.666 429 H THR 60 H THR 60 8.956 14.951 -15.552 430 HA THR 60 HA THR 60 6.371 15.321 -14.205 431 HB THR 60 HB THR 60 6.509 14.503 -17.066 432 HG1 THR 60 HG1 THR 60 7.357 16.992 -16.029 433 HG21 THR 60 HG21 THR 60 4.323 14.850 -16.643 434 HG22 THR 60 HG22 THR 60 4.731 16.555 -16.835 435 HG23 THR 60 HG23 THR 60 4.654 15.842 -15.224 436 H TYR 61 H TYR 61 5.499 13.600 -13.276 437 HA TYR 61 HA TYR 61 5.596 11.017 -14.605 438 HB2 TYR 61 HB2 TYR 61 7.608 11.126 -13.101 439 HB3 TYR 61 HB3 TYR 61 6.508 11.281 -11.735 440 HD1 TYR 61 HD1 TYR 61 4.824 9.394 -11.348 441 HD2 TYR 61 HD2 TYR 61 8.190 9.014 -13.924 442 HE1 TYR 61 HE1 TYR 61 4.650 6.945 -11.205 443 HE2 TYR 61 HE2 TYR 61 8.024 6.564 -13.788 444 HH TYR 61 HH TYR 61 5.933 4.887 -13.253 445 H GLY 62 H GLY 62 3.599 10.242 -14.594 446 HA2 GLY 62 HA2 GLY 62 1.963 9.534 -12.626 447 HA3 GLY 62 HA3 GLY 62 1.670 11.266 -12.662 448 H CYS 63 H CYS 63 -0.552 10.584 -13.135 449 HA CYS 63 HA CYS 63 -0.904 9.929 -15.986 450 HB2 CYS 63 HB2 CYS 63 -3.100 8.992 -15.377 451 HB3 CYS 63 HB3 CYS 63 -1.787 8.170 -14.543 452 HG CYS 63 HG CYS 63 -4.293 10.025 -13.286 453 H GLY 64 H GLY 64 -1.722 12.073 -13.371 454 HA2 GLY 64 HA2 GLY 64 -2.166 14.372 -14.555 455 HA3 GLY 64 HA3 GLY 64 -3.630 13.533 -15.048 456 H SER 65 H SER 65 -1.770 14.527 -12.201 457 HA SER 65 HA SER 65 -4.319 14.898 -10.783 458 HB2 SER 65 HB2 SER 65 -1.852 13.473 -9.827 459 HB3 SER 65 HB3 SER 65 -2.941 14.246 -8.676 460 HG SER 65 HG SER 65 -4.080 12.498 -8.845 461 H ALA 66 H ALA 66 -3.702 17.078 -11.811 462 HA ALA 66 HA ALA 66 -3.150 19.261 -11.474 463 HB1 ALA 66 HB1 ALA 66 -4.036 18.579 -9.138 464 HB2 ALA 66 HB2 ALA 66 -2.340 18.652 -8.660 465 HB3 ALA 66 HB3 ALA 66 -3.135 20.085 -9.311 466 H ILE 67 H ILE 67 -1.397 19.624 -12.717 467 HA ILE 67 HA ILE 67 1.239 18.801 -11.744 468 HB ILE 67 HB ILE 67 0.600 18.264 -14.089 469 HG12 ILE 67 HG12 ILE 67 2.799 20.099 -14.608 470 HG13 ILE 67 HG13 ILE 67 3.014 19.229 -13.093 471 HG21 ILE 67 HG21 ILE 67 0.934 21.176 -14.716 472 HG22 ILE 67 HG22 ILE 67 0.264 19.894 -15.723 473 HG23 ILE 67 HG23 ILE 67 -0.647 20.493 -14.337 474 HD11 ILE 67 HD11 ILE 67 3.612 18.331 -15.651 475 HD12 ILE 67 HD12 ILE 67 3.592 17.382 -14.164 476 HD13 ILE 67 HD13 ILE 67 2.157 17.450 -15.186 477 H ALA 68 H ALA 68 -0.728 21.605 -12.268 478 HA ALA 68 HA ALA 68 1.172 23.622 -12.450 479 HB1 ALA 68 HB1 ALA 68 -0.580 25.077 -11.397 480 HB2 ALA 68 HB2 ALA 68 -1.122 24.148 -12.795 481 HB3 ALA 68 HB3 ALA 68 -1.552 23.623 -11.168 482 H SER 69 H SER 69 0.073 21.807 -9.663 483 HA SER 69 HA SER 69 1.005 23.433 -7.606 484 HB2 SER 69 HB2 SER 69 1.366 21.074 -6.458 485 HB3 SER 69 HB3 SER 69 -0.256 21.671 -6.809 486 HG SER 69 HG SER 69 1.254 19.946 -8.486 487 H SER 70 H SER 70 2.726 21.315 -9.772 488 HA SER 70 HA SER 70 5.178 21.418 -8.239 489 HB2 SER 70 HB2 SER 70 5.274 20.500 -11.050 490 HB3 SER 70 HB3 SER 70 5.922 19.747 -9.593 491 HG SER 70 HG SER 70 3.435 19.466 -10.788 492 H SER 71 H SER 71 4.002 22.689 -11.341 493 HA SER 71 HA SER 71 6.354 24.085 -12.018 494 HB2 SER 71 HB2 SER 71 3.927 23.588 -13.248 495 HB3 SER 71 HB3 SER 71 3.893 25.332 -12.988 496 HG SER 71 HG SER 71 6.204 24.138 -14.041 497 H LEU 72 H LEU 72 3.813 24.776 -9.802 498 HA LEU 72 HA LEU 72 4.287 27.616 -9.695 499 HB2 LEU 72 HB2 LEU 72 2.083 26.872 -9.209 500 HB3 LEU 72 HB3 LEU 72 2.668 25.727 -8.004 501 HG LEU 72 HG LEU 72 3.423 27.752 -6.665 502 HD11 LEU 72 HD11 LEU 72 3.395 29.629 -7.919 503 HD12 LEU 72 HD12 LEU 72 1.727 29.707 -7.354 504 HD13 LEU 72 HD13 LEU 72 2.087 29.055 -8.952 505 HD21 LEU 72 HD21 LEU 72 1.165 26.319 -6.585 506 HD22 LEU 72 HD22 LEU 72 0.481 27.908 -6.924 507 HD23 LEU 72 HD23 LEU 72 1.486 27.668 -5.495 508 H VAL 73 H VAL 73 4.923 24.851 -7.548 509 HA VAL 73 HA VAL 73 6.275 26.308 -5.553 510 HB VAL 73 HB VAL 73 7.211 24.123 -4.849 511 HG11 VAL 73 HG11 VAL 73 5.286 23.911 -3.766 512 HG12 VAL 73 HG12 VAL 73 4.482 24.900 -4.986 513 HG13 VAL 73 HG13 VAL 73 4.568 23.149 -5.185 514 HG21 VAL 73 HG21 VAL 73 6.619 22.096 -6.042 515 HG22 VAL 73 HG22 VAL 73 5.771 23.038 -7.269 516 HG23 VAL 73 HG23 VAL 73 7.521 23.179 -7.102 517 H THR 74 H THR 74 7.297 25.044 -8.624 518 HA THR 74 HA THR 74 10.100 25.107 -8.123 519 HB THR 74 HB THR 74 10.101 25.274 -10.762 520 HG1 THR 74 HG1 THR 74 8.191 25.050 -11.665 521 HG21 THR 74 HG21 THR 74 8.940 22.700 -10.004 522 HG22 THR 74 HG22 THR 74 10.245 23.225 -8.940 523 HG23 THR 74 HG23 THR 74 10.528 23.072 -10.674 524 H GLU 75 H GLU 75 7.918 27.302 -9.894 525 HA GLU 75 HA GLU 75 9.867 29.240 -10.489 526 HB2 GLU 75 HB2 GLU 75 6.870 29.500 -10.202 527 HB3 GLU 75 HB3 GLU 75 7.914 30.759 -10.846 528 HG2 GLU 75 HG2 GLU 75 7.859 28.016 -12.043 529 HG3 GLU 75 HG3 GLU 75 6.679 29.246 -12.494 530 H TRP 76 H TRP 76 8.203 28.498 -7.585 531 HA TRP 76 HA TRP 76 8.491 31.091 -6.376 532 HB2 TRP 76 HB2 TRP 76 7.290 28.530 -5.675 533 HB3 TRP 76 HB3 TRP 76 8.132 29.266 -4.314 534 HD1 TRP 76 HD1 TRP 76 4.806 29.030 -5.280 535 HE1 TRP 76 HE1 TRP 76 3.414 31.136 -4.779 536 HE3 TRP 76 HE3 TRP 76 8.610 32.387 -4.656 537 HZ2 TRP 76 HZ2 TRP 76 3.868 33.861 -4.197 538 HZ3 TRP 76 HZ3 TRP 76 8.046 34.724 -4.129 539 HH2 TRP 76 HH2 TRP 76 5.724 35.443 -3.905 540 H VAL 77 H VAL 77 10.128 27.954 -6.071 541 HA VAL 77 HA VAL 77 12.020 28.858 -4.144 542 HB VAL 77 HB VAL 77 13.256 26.770 -4.701 543 HG11 VAL 77 HG11 VAL 77 11.922 25.966 -3.118 544 HG12 VAL 77 HG12 VAL 77 10.605 27.027 -3.625 545 HG13 VAL 77 HG13 VAL 77 10.807 25.445 -4.381 546 HG21 VAL 77 HG21 VAL 77 12.286 25.181 -6.266 547 HG22 VAL 77 HG22 VAL 77 11.012 26.331 -6.671 548 HG23 VAL 77 HG23 VAL 77 12.687 26.689 -7.089 549 H LYS 78 H LYS 78 11.933 28.760 -7.640 550 HA LYS 78 HA LYS 78 14.634 29.092 -8.225 551 HB2 LYS 78 HB2 LYS 78 12.095 29.476 -9.608 552 HB3 LYS 78 HB3 LYS 78 13.326 30.617 -10.135 553 HG2 LYS 78 HG2 LYS 78 14.667 28.208 -10.077 554 HG3 LYS 78 HG3 LYS 78 13.063 27.780 -10.676 555 HD2 LYS 78 HD2 LYS 78 14.499 30.146 -11.810 556 HD3 LYS 78 HD3 LYS 78 14.920 28.519 -12.349 557 HE2 LYS 78 HE2 LYS 78 13.004 28.272 -13.502 558 HE3 LYS 78 HE3 LYS 78 12.040 29.084 -12.269 559 HZ1 LYS 78 HZ1 LYS 78 13.842 30.557 -14.099 560 HZ2 LYS 78 HZ2 LYS 78 12.606 31.181 -13.127 561 HZ3 LYS 78 HZ3 LYS 78 12.225 30.241 -14.481 562 H GLY 79 H GLY 79 15.801 30.516 -7.033 563 HA2 GLY 79 HA2 GLY 79 16.698 32.756 -7.103 564 HA3 GLY 79 HA3 GLY 79 15.060 33.354 -7.320 565 H LYS 80 H LYS 80 14.232 31.325 -5.180 566 HA LYS 80 HA LYS 80 14.493 33.158 -2.973 567 HB2 LYS 80 HB2 LYS 80 12.677 31.132 -3.741 568 HB3 LYS 80 HB3 LYS 80 13.359 30.635 -2.198 569 HG2 LYS 80 HG2 LYS 80 11.504 31.859 -1.573 570 HG3 LYS 80 HG3 LYS 80 12.811 33.039 -1.438 571 HD2 LYS 80 HD2 LYS 80 12.168 34.154 -3.380 572 HD3 LYS 80 HD3 LYS 80 11.237 32.777 -3.976 573 HE2 LYS 80 HE2 LYS 80 9.396 33.381 -2.840 574 HE3 LYS 80 HE3 LYS 80 10.313 33.836 -1.405 575 HZ1 LYS 80 HZ1 LYS 80 10.035 35.486 -3.859 576 HZ2 LYS 80 HZ2 LYS 80 10.880 35.924 -2.461 577 HZ3 LYS 80 HZ3 LYS 80 9.199 35.738 -2.410 578 H SER 81 H SER 81 15.134 32.392 -0.795 579 HA SER 81 HA SER 81 17.685 31.033 -0.965 580 HB2 SER 81 HB2 SER 81 18.009 31.741 1.332 581 HB3 SER 81 HB3 SER 81 17.379 33.099 0.400 582 HG SER 81 HG SER 81 15.999 33.148 2.006 583 H LEU 82 H LEU 82 17.989 29.749 1.377 584 HA LEU 82 HA LEU 82 16.538 27.318 0.937 585 HB2 LEU 82 HB2 LEU 82 18.371 27.992 3.229 586 HB3 LEU 82 HB3 LEU 82 17.904 26.386 2.673 587 HG LEU 82 HG LEU 82 19.464 28.271 0.929 588 HD11 LEU 82 HD11 LEU 82 20.987 26.165 2.250 589 HD12 LEU 82 HD12 LEU 82 20.400 27.408 3.354 590 HD13 LEU 82 HD13 LEU 82 21.395 27.858 1.969 591 HD21 LEU 82 HD21 LEU 82 20.244 25.989 0.063 592 HD22 LEU 82 HD22 LEU 82 18.605 26.504 -0.335 593 HD23 LEU 82 HD23 LEU 82 18.872 25.330 0.954 594 H ASP 83 H ASP 83 16.592 29.800 3.458 595 HA ASP 83 HA ASP 83 14.713 28.496 5.152 596 HB2 ASP 83 HB2 ASP 83 15.848 31.270 5.002 597 HB3 ASP 83 HB3 ASP 83 14.497 30.926 6.078 598 H GLU 84 H GLU 84 14.456 31.010 2.675 599 HA GLU 84 HA GLU 84 11.792 31.715 3.027 600 HB2 GLU 84 HB2 GLU 84 13.642 31.724 0.676 601 HB3 GLU 84 HB3 GLU 84 11.940 32.091 0.430 602 HG2 GLU 84 HG2 GLU 84 13.623 33.529 2.456 603 HG3 GLU 84 HG3 GLU 84 13.495 34.053 0.778 604 H ALA 85 H ALA 85 13.069 29.378 0.651 605 HA ALA 85 HA ALA 85 10.607 28.397 -0.211 606 HB1 ALA 85 HB1 ALA 85 13.407 27.458 -0.326 607 HB2 ALA 85 HB2 ALA 85 12.153 26.248 -0.601 608 HB3 ALA 85 HB3 ALA 85 12.229 27.686 -1.620 609 H GLN 86 H GLN 86 12.670 27.356 2.464 610 HA GLN 86 HA GLN 86 11.130 25.074 3.150 611 HB2 GLN 86 HB2 GLN 86 13.556 25.677 3.817 612 HB3 GLN 86 HB3 GLN 86 12.813 26.608 5.111 613 HG2 GLN 86 HG2 GLN 86 11.665 23.991 5.037 614 HG3 GLN 86 HG3 GLN 86 13.424 23.870 5.075 615 HE21 GLN 86 HE21 GLN 86 10.667 25.381 6.673 616 HE22 GLN 86 HE22 GLN 86 11.389 25.459 8.241 617 H ALA 87 H ALA 87 10.757 28.441 3.735 618 HA ALA 87 HA ALA 87 9.023 28.130 6.025 619 HB1 ALA 87 HB1 ALA 87 8.633 30.618 5.615 620 HB2 ALA 87 HB2 ALA 87 10.267 30.116 6.053 621 HB3 ALA 87 HB3 ALA 87 9.878 30.486 4.373 622 H ILE 88 H ILE 88 8.683 27.870 2.677 623 HA ILE 88 HA ILE 88 6.230 28.971 2.084 624 HB ILE 88 HB ILE 88 7.392 26.362 1.109 625 HG12 ILE 88 HG12 ILE 88 7.306 29.109 -0.156 626 HG13 ILE 88 HG13 ILE 88 8.713 28.404 0.632 627 HG21 ILE 88 HG21 ILE 88 5.822 26.623 -0.800 628 HG22 ILE 88 HG22 ILE 88 5.024 26.290 0.736 629 HG23 ILE 88 HG23 ILE 88 5.032 27.928 0.084 630 HD11 ILE 88 HD11 ILE 88 8.713 26.605 -1.042 631 HD12 ILE 88 HD12 ILE 88 7.353 27.386 -1.850 632 HD13 ILE 88 HD13 ILE 88 8.913 28.204 -1.757 633 H LYS 89 H LYS 89 4.111 28.385 2.315 634 HA LYS 89 HA LYS 89 3.569 26.057 4.041 635 HB2 LYS 89 HB2 LYS 89 2.362 28.815 4.071 636 HB3 LYS 89 HB3 LYS 89 1.535 27.438 4.787 637 HG2 LYS 89 HG2 LYS 89 2.628 27.956 6.653 638 HG3 LYS 89 HG3 LYS 89 4.049 27.261 5.870 639 HD2 LYS 89 HD2 LYS 89 4.714 29.393 6.639 640 HD3 LYS 89 HD3 LYS 89 4.470 29.565 4.899 641 HE2 LYS 89 HE2 LYS 89 3.452 31.454 5.869 642 HE3 LYS 89 HE3 LYS 89 2.128 30.367 5.454 643 HZ1 LYS 89 HZ1 LYS 89 1.821 29.778 7.675 644 HZ2 LYS 89 HZ2 LYS 89 2.079 31.449 7.733 645 HZ3 LYS 89 HZ3 LYS 89 3.325 30.386 8.157 646 H ASN 90 H ASN 90 2.042 24.654 3.380 647 HA ASN 90 HA ASN 90 1.210 24.486 0.765 648 HB2 ASN 90 HB2 ASN 90 -0.418 22.826 1.511 649 HB3 ASN 90 HB3 ASN 90 1.102 22.618 2.375 650 HD21 ASN 90 HD21 ASN 90 -2.233 23.430 2.609 651 HD22 ASN 90 HD22 ASN 90 -2.312 23.523 4.332 652 H THR 91 H THR 91 -0.318 26.158 3.443 653 HA THR 91 HA THR 91 -2.849 26.621 2.459 654 HB THR 91 HB THR 91 -2.139 27.324 4.703 655 HG1 THR 91 HG1 THR 91 -3.461 29.080 4.731 656 HG21 THR 91 HG21 THR 91 -0.976 29.860 3.737 657 HG22 THR 91 HG22 THR 91 0.027 28.424 3.529 658 HG23 THR 91 HG23 THR 91 -0.546 28.874 5.134 659 H ASP 92 H ASP 92 0.174 27.999 1.434 660 HA ASP 92 HA ASP 92 -1.028 30.144 -0.069 661 HB2 ASP 92 HB2 ASP 92 1.679 29.253 0.599 662 HB3 ASP 92 HB3 ASP 92 1.534 29.853 -1.051 663 H ILE 93 H ILE 93 0.628 27.101 -0.887 664 HA ILE 93 HA ILE 93 0.229 27.301 -3.673 665 HB ILE 93 HB ILE 93 0.784 24.943 -1.885 666 HG12 ILE 93 HG12 ILE 93 2.952 25.052 -3.283 667 HG13 ILE 93 HG13 ILE 93 2.401 26.653 -3.764 668 HG21 ILE 93 HG21 ILE 93 0.200 25.022 -4.811 669 HG22 ILE 93 HG22 ILE 93 1.366 23.858 -4.185 670 HG23 ILE 93 HG23 ILE 93 -0.296 23.843 -3.597 671 HD11 ILE 93 HD11 ILE 93 4.021 26.415 -1.775 672 HD12 ILE 93 HD12 ILE 93 2.647 27.513 -1.635 673 HD13 ILE 93 HD13 ILE 93 2.586 25.923 -0.875 674 H ALA 94 H ALA 94 -1.785 26.161 -1.073 675 HA ALA 94 HA ALA 94 -3.620 24.674 -2.654 676 HB1 ALA 94 HB1 ALA 94 -3.197 24.966 0.022 677 HB2 ALA 94 HB2 ALA 94 -4.692 25.874 -0.208 678 HB3 ALA 94 HB3 ALA 94 -4.603 24.183 -0.701 679 H GLU 95 H GLU 95 -3.705 27.972 -1.317 680 HA GLU 95 HA GLU 95 -6.181 28.591 -2.644 681 HB2 GLU 95 HB2 GLU 95 -4.207 30.372 -1.204 682 HB3 GLU 95 HB3 GLU 95 -5.787 30.882 -1.780 683 HG2 GLU 95 HG2 GLU 95 -5.535 28.574 0.100 684 HG3 GLU 95 HG3 GLU 95 -5.488 30.231 0.698 685 H GLU 96 H GLU 96 -2.863 28.669 -3.467 686 HA GLU 96 HA GLU 96 -2.876 30.790 -5.336 687 HB2 GLU 96 HB2 GLU 96 -1.083 28.540 -4.657 688 HB3 GLU 96 HB3 GLU 96 -0.936 29.164 -6.294 689 HG2 GLU 96 HG2 GLU 96 -1.009 31.216 -4.203 690 HG3 GLU 96 HG3 GLU 96 0.384 30.138 -4.139 691 H LEU 97 H LEU 97 -3.168 27.269 -5.780 692 HA LEU 97 HA LEU 97 -4.098 27.729 -8.521 693 HB2 LEU 97 HB2 LEU 97 -3.287 25.183 -7.124 694 HB3 LEU 97 HB3 LEU 97 -3.789 25.304 -8.809 695 HG LEU 97 HG LEU 97 -1.360 26.688 -7.681 696 HD11 LEU 97 HD11 LEU 97 -1.501 24.098 -9.216 697 HD12 LEU 97 HD12 LEU 97 -1.147 24.246 -7.495 698 HD13 LEU 97 HD13 LEU 97 -0.038 24.928 -8.685 699 HD21 LEU 97 HD21 LEU 97 -2.400 26.226 -10.468 700 HD22 LEU 97 HD22 LEU 97 -0.754 26.754 -10.118 701 HD23 LEU 97 HD23 LEU 97 -2.123 27.767 -9.657 702 H GLU 98 H GLU 98 -5.258 27.048 -5.411 703 HA GLU 98 HA GLU 98 -7.334 26.608 -4.591 704 HB2 GLU 98 HB2 GLU 98 -8.387 26.935 -7.396 705 HB3 GLU 98 HB3 GLU 98 -9.243 27.195 -5.882 706 HG2 GLU 98 HG2 GLU 98 -7.407 29.017 -5.504 707 HG3 GLU 98 HG3 GLU 98 -7.253 28.929 -7.258 708 H LEU 99 H LEU 99 -6.315 24.407 -4.439 709 HA LEU 99 HA LEU 99 -7.063 22.394 -6.318 710 HB2 LEU 99 HB2 LEU 99 -5.783 22.439 -3.631 711 HB3 LEU 99 HB3 LEU 99 -6.427 20.913 -4.234 712 HG LEU 99 HG LEU 99 -3.979 21.253 -4.613 713 HD11 LEU 99 HD11 LEU 99 -5.405 19.721 -5.962 714 HD12 LEU 99 HD12 LEU 99 -3.991 20.334 -6.820 715 HD13 LEU 99 HD13 LEU 99 -5.585 21.013 -7.150 716 HD21 LEU 99 HD21 LEU 99 -3.138 22.880 -5.996 717 HD22 LEU 99 HD22 LEU 99 -4.459 23.757 -5.221 718 HD23 LEU 99 HD23 LEU 99 -4.667 23.103 -6.847 719 HA PRO 100 HA PRO 100 -11.128 21.417 -4.963 720 HB2 PRO 100 HB2 PRO 100 -11.233 18.788 -5.633 721 HB3 PRO 100 HB3 PRO 100 -11.283 20.088 -6.831 722 HG2 PRO 100 HG2 PRO 100 -8.972 18.389 -5.973 723 HG3 PRO 100 HG3 PRO 100 -9.446 18.891 -7.607 724 HD2 PRO 100 HD2 PRO 100 -7.457 20.106 -6.229 725 HD3 PRO 100 HD3 PRO 100 -8.493 20.977 -7.378 726 HA PRO 101 HA PRO 101 -10.918 19.714 -0.905 727 HB2 PRO 101 HB2 PRO 101 -13.499 18.933 -0.585 728 HB3 PRO 101 HB3 PRO 101 -12.999 20.628 -0.563 729 HG2 PRO 101 HG2 PRO 101 -14.208 19.039 -2.793 730 HG3 PRO 101 HG3 PRO 101 -14.576 20.693 -2.270 731 HD2 PRO 101 HD2 PRO 101 -13.002 20.157 -4.407 732 HD3 PRO 101 HD3 PRO 101 -12.759 21.581 -3.375 733 H VAL 102 H VAL 102 -11.514 17.840 -3.653 734 HA VAL 102 HA VAL 102 -12.183 15.345 -2.541 735 HB VAL 102 HB VAL 102 -12.390 15.748 -4.926 736 HG11 VAL 102 HG11 VAL 102 -10.608 16.160 -6.380 737 HG12 VAL 102 HG12 VAL 102 -10.256 17.171 -4.977 738 HG13 VAL 102 HG13 VAL 102 -9.405 15.642 -5.199 739 HG21 VAL 102 HG21 VAL 102 -11.363 13.453 -3.746 740 HG22 VAL 102 HG22 VAL 102 -12.126 13.573 -5.331 741 HG23 VAL 102 HG23 VAL 102 -10.373 13.691 -5.186 742 H LYS 103 H LYS 103 -9.082 16.927 -3.086 743 HA LYS 103 HA LYS 103 -7.824 15.175 -1.166 744 HB2 LYS 103 HB2 LYS 103 -7.727 14.119 -3.560 745 HB3 LYS 103 HB3 LYS 103 -6.476 15.323 -3.839 746 HG2 LYS 103 HG2 LYS 103 -5.418 13.292 -3.193 747 HG3 LYS 103 HG3 LYS 103 -5.267 14.431 -1.854 748 HD2 LYS 103 HD2 LYS 103 -6.138 12.865 -0.532 749 HD3 LYS 103 HD3 LYS 103 -7.665 13.077 -1.393 750 HE2 LYS 103 HE2 LYS 103 -5.491 11.237 -2.361 751 HE3 LYS 103 HE3 LYS 103 -6.755 10.712 -1.250 752 HZ1 LYS 103 HZ1 LYS 103 -7.659 10.167 -3.266 753 HZ2 LYS 103 HZ2 LYS 103 -6.969 11.482 -4.076 754 HZ3 LYS 103 HZ3 LYS 103 -8.302 11.719 -3.061 755 H ILE 104 H ILE 104 -8.071 17.580 -0.470 756 HA ILE 104 HA ILE 104 -6.545 19.642 -1.468 757 HB ILE 104 HB ILE 104 -7.092 19.018 1.435 758 HG12 ILE 104 HG12 ILE 104 -9.091 19.267 -0.045 759 HG13 ILE 104 HG13 ILE 104 -8.989 20.492 1.215 760 HG21 ILE 104 HG21 ILE 104 -6.857 21.619 1.517 761 HG22 ILE 104 HG22 ILE 104 -5.425 20.593 1.594 762 HG23 ILE 104 HG23 ILE 104 -5.869 21.374 0.077 763 HD11 ILE 104 HD11 ILE 104 -9.464 20.984 -1.410 764 HD12 ILE 104 HD12 ILE 104 -8.824 22.158 -0.261 765 HD13 ILE 104 HD13 ILE 104 -7.726 21.259 -1.306 766 H HIS 105 H HIS 105 -5.520 16.858 0.369 767 HA HIS 105 HA HIS 105 -3.043 17.684 1.296 768 HB2 HIS 105 HB2 HIS 105 -4.365 15.383 1.475 769 HB3 HIS 105 HB3 HIS 105 -3.275 14.934 0.166 770 HD1 HIS 105 HD1 HIS 105 -2.885 16.605 3.573 771 HD2 HIS 105 HD2 HIS 105 -1.032 13.801 1.131 772 HE1 HIS 105 HE1 HIS 105 -0.903 15.779 4.882 773 H CYS 106 H CYS 106 -4.068 16.969 -1.936 774 HA CYS 106 HA CYS 106 -1.613 16.416 -3.149 775 HB2 CYS 106 HB2 CYS 106 -4.180 17.615 -4.153 776 HB3 CYS 106 HB3 CYS 106 -2.783 17.469 -5.212 777 HG CYS 106 HG CYS 106 -3.603 14.647 -3.594 778 H SER 107 H SER 107 -2.842 19.334 -1.844 779 HA SER 107 HA SER 107 -1.032 21.024 -3.373 780 HB2 SER 107 HB2 SER 107 -2.145 22.873 -2.412 781 HB3 SER 107 HB3 SER 107 -3.417 21.679 -2.672 782 HG SER 107 HG SER 107 -2.295 22.606 -0.297 783 H ILE 108 H ILE 108 -1.242 19.481 -0.275 784 HA ILE 108 HA ILE 108 0.787 21.074 0.986 785 HB ILE 108 HB ILE 108 -0.246 18.358 1.806 786 HG12 ILE 108 HG12 ILE 108 -1.187 21.143 2.509 787 HG13 ILE 108 HG13 ILE 108 -2.106 19.883 1.694 788 HG21 ILE 108 HG21 ILE 108 1.125 20.486 3.443 789 HG22 ILE 108 HG22 ILE 108 0.611 18.892 3.995 790 HG23 ILE 108 HG23 ILE 108 1.909 19.038 2.811 791 HD11 ILE 108 HD11 ILE 108 -1.560 20.283 4.552 792 HD12 ILE 108 HD12 ILE 108 -2.960 19.575 3.745 793 HD13 ILE 108 HD13 ILE 108 -1.499 18.616 3.983 794 H LEU 109 H LEU 109 0.669 18.011 -0.738 795 HA LEU 109 HA LEU 109 3.155 16.967 -0.110 796 HB2 LEU 109 HB2 LEU 109 1.423 16.818 -2.542 797 HB3 LEU 109 HB3 LEU 109 3.024 16.082 -2.556 798 HG LEU 109 HG LEU 109 1.339 15.328 -0.268 799 HD11 LEU 109 HD11 LEU 109 0.470 14.887 -3.082 800 HD12 LEU 109 HD12 LEU 109 -0.493 15.185 -1.635 801 HD13 LEU 109 HD13 LEU 109 0.232 13.600 -1.900 802 HD21 LEU 109 HD21 LEU 109 2.494 13.371 -0.412 803 HD22 LEU 109 HD22 LEU 109 3.645 14.433 -1.223 804 HD23 LEU 109 HD23 LEU 109 2.566 13.411 -2.174 805 H ALA 110 H ALA 110 2.307 19.538 -2.338 806 HA ALA 110 HA ALA 110 4.706 19.729 -3.762 807 HB1 ALA 110 HB1 ALA 110 3.584 22.333 -3.291 808 HB2 ALA 110 HB2 ALA 110 3.622 21.380 -4.776 809 HB3 ALA 110 HB3 ALA 110 2.307 21.162 -3.621 810 H GLU 111 H GLU 111 3.866 20.754 -0.542 811 HA GLU 111 HA GLU 111 6.213 22.423 -0.248 812 HB2 GLU 111 HB2 GLU 111 4.601 21.533 2.098 813 HB3 GLU 111 HB3 GLU 111 5.335 23.097 1.771 814 HG2 GLU 111 HG2 GLU 111 2.799 21.972 0.625 815 HG3 GLU 111 HG3 GLU 111 2.996 23.392 1.650 816 H ASP 112 H ASP 112 5.312 19.139 0.293 817 HA ASP 112 HA ASP 112 7.385 18.558 2.196 818 HB2 ASP 112 HB2 ASP 112 5.435 16.895 0.627 819 HB3 ASP 112 HB3 ASP 112 6.752 16.133 1.515 820 H ALA 113 H ALA 113 7.098 18.639 -1.253 821 HA ALA 113 HA ALA 113 9.435 17.024 -1.749 822 HB1 ALA 113 HB1 ALA 113 8.876 17.123 -3.945 823 HB2 ALA 113 HB2 ALA 113 7.307 17.554 -3.264 824 HB3 ALA 113 HB3 ALA 113 8.386 18.816 -3.860 825 H ILE 114 H ILE 114 8.630 20.477 -2.126 826 HA ILE 114 HA ILE 114 11.107 21.391 -2.961 827 HB ILE 114 HB ILE 114 10.467 23.582 -1.950 828 HG12 ILE 114 HG12 ILE 114 7.805 23.205 -1.272 829 HG13 ILE 114 HG13 ILE 114 8.615 21.836 -0.519 830 HG21 ILE 114 HG21 ILE 114 9.141 24.011 -3.712 831 HG22 ILE 114 HG22 ILE 114 9.473 22.334 -4.140 832 HG23 ILE 114 HG23 ILE 114 7.988 22.748 -3.283 833 HD11 ILE 114 HD11 ILE 114 8.761 24.707 0.109 834 HD12 ILE 114 HD12 ILE 114 8.864 23.300 1.168 835 HD13 ILE 114 HD13 ILE 114 10.270 23.803 0.230 836 H LYS 115 H LYS 115 9.940 20.758 0.306 837 HA LYS 115 HA LYS 115 12.216 21.839 1.633 838 HB2 LYS 115 HB2 LYS 115 10.208 21.670 2.893 839 HB3 LYS 115 HB3 LYS 115 10.019 19.966 2.500 840 HG2 LYS 115 HG2 LYS 115 10.736 20.237 4.794 841 HG3 LYS 115 HG3 LYS 115 11.994 19.439 3.847 842 HD2 LYS 115 HD2 LYS 115 12.543 22.163 3.623 843 HD3 LYS 115 HD3 LYS 115 12.087 21.930 5.313 844 HE2 LYS 115 HE2 LYS 115 13.906 19.899 4.205 845 HE3 LYS 115 HE3 LYS 115 14.578 21.525 4.324 846 HZ1 LYS 115 HZ1 LYS 115 13.853 21.533 6.681 847 HZ2 LYS 115 HZ2 LYS 115 15.036 20.374 6.340 848 HZ3 LYS 115 HZ3 LYS 115 13.422 19.904 6.525 849 H ALA 116 H ALA 116 11.296 18.603 0.558 850 HA ALA 116 HA ALA 116 13.330 17.134 1.770 851 HB1 ALA 116 HB1 ALA 116 11.661 15.844 0.820 852 HB2 ALA 116 HB2 ALA 116 11.701 16.730 -0.705 853 HB3 ALA 116 HB3 ALA 116 13.003 15.611 -0.302 854 H ALA 117 H ALA 117 13.398 19.227 -1.007 855 HA ALA 117 HA ALA 117 15.917 18.272 -2.010 856 HB1 ALA 117 HB1 ALA 117 14.356 19.245 -3.558 857 HB2 ALA 117 HB2 ALA 117 14.329 20.754 -2.645 858 HB3 ALA 117 HB3 ALA 117 15.797 20.259 -3.488 859 H ILE 118 H ILE 118 14.828 21.014 -0.058 860 HA ILE 118 HA ILE 118 17.301 22.350 0.089 861 HB ILE 118 HB ILE 118 15.022 22.348 2.071 862 HG12 ILE 118 HG12 ILE 118 15.710 24.230 -0.196 863 HG13 ILE 118 HG13 ILE 118 14.357 23.105 -0.159 864 HG21 ILE 118 HG21 ILE 118 17.074 23.115 3.115 865 HG22 ILE 118 HG22 ILE 118 17.353 24.239 1.786 866 HG23 ILE 118 HG23 ILE 118 15.975 24.471 2.862 867 HD11 ILE 118 HD11 ILE 118 13.166 24.826 0.584 868 HD12 ILE 118 HD12 ILE 118 13.992 24.582 2.124 869 HD13 ILE 118 HD13 ILE 118 14.607 25.766 0.971 870 H ALA 119 H ALA 119 15.931 19.705 1.937 871 HA ALA 119 HA ALA 119 17.962 19.756 3.970 872 HB1 ALA 119 HB1 ALA 119 15.529 18.254 3.428 873 HB2 ALA 119 HB2 ALA 119 16.824 17.255 4.088 874 HB3 ALA 119 HB3 ALA 119 16.278 18.683 4.966 875 H ASP 120 H ASP 120 17.655 18.417 0.820 876 HA ASP 120 HA ASP 120 19.593 16.322 1.180 877 HB2 ASP 120 HB2 ASP 120 17.739 17.125 -0.851 878 HB3 ASP 120 HB3 ASP 120 19.339 16.968 -1.570 879 H TYR 121 H TYR 121 19.599 19.646 0.079 880 HA TYR 121 HA TYR 121 22.164 19.651 -1.103 881 HB2 TYR 121 HB2 TYR 121 20.701 21.450 -1.635 882 HB3 TYR 121 HB3 TYR 121 20.452 21.845 0.062 883 HD1 TYR 121 HD1 TYR 121 23.625 21.216 -1.790 884 HD2 TYR 121 HD2 TYR 121 21.214 24.032 0.299 885 HE1 TYR 121 HE1 TYR 121 25.450 22.861 -1.912 886 HE2 TYR 121 HE2 TYR 121 23.032 25.684 0.182 887 HH TYR 121 HH TYR 121 26.207 24.838 -1.051 888 H LYS 122 H LYS 122 21.078 20.721 2.118 889 HA LYS 122 HA LYS 122 23.574 21.420 3.139 890 HB2 LYS 122 HB2 LYS 122 21.333 20.206 4.756 891 HB3 LYS 122 HB3 LYS 122 22.572 21.324 5.311 892 HG2 LYS 122 HG2 LYS 122 21.522 22.892 3.486 893 HG3 LYS 122 HG3 LYS 122 20.117 21.848 3.717 894 HD2 LYS 122 HD2 LYS 122 20.447 22.287 6.223 895 HD3 LYS 122 HD3 LYS 122 21.501 23.610 5.718 896 HE2 LYS 122 HE2 LYS 122 19.041 23.677 4.235 897 HE3 LYS 122 HE3 LYS 122 18.704 23.635 5.965 898 HZ1 LYS 122 HZ1 LYS 122 20.758 25.483 4.989 899 HZ2 LYS 122 HZ2 LYS 122 19.706 25.639 6.305 900 HZ3 LYS 122 HZ3 LYS 122 19.134 25.883 4.731 901 H SER 123 H SER 123 22.181 18.313 2.573 902 HA SER 123 HA SER 123 23.935 16.887 4.356 903 HB2 SER 123 HB2 SER 123 21.681 16.032 3.776 904 HB3 SER 123 HB3 SER 123 22.207 15.829 2.105 905 HG SER 123 HG SER 123 23.064 14.007 2.667 906 H LYS 124 H LYS 124 24.067 18.056 1.125 907 HA LYS 124 HA LYS 124 26.025 16.227 0.138 908 HB2 LYS 124 HB2 LYS 124 24.433 18.276 -0.933 909 HB3 LYS 124 HB3 LYS 124 26.094 18.799 -1.177 910 HG2 LYS 124 HG2 LYS 124 25.520 17.615 -3.114 911 HG3 LYS 124 HG3 LYS 124 26.520 16.506 -2.171 912 HD2 LYS 124 HD2 LYS 124 23.892 16.063 -1.315 913 HD3 LYS 124 HD3 LYS 124 23.799 16.205 -3.072 914 HE2 LYS 124 HE2 LYS 124 24.369 14.036 -3.065 915 HE3 LYS 124 HE3 LYS 124 26.000 14.634 -2.768 916 HZ1 LYS 124 HZ1 LYS 124 24.938 12.839 -1.226 917 HZ2 LYS 124 HZ2 LYS 124 24.228 14.179 -0.476 918 HZ3 LYS 124 HZ3 LYS 124 25.913 14.059 -0.574 919 H ARG 125 H ARG 125 26.117 19.118 2.035 920 HA ARG 125 HA ARG 125 29.049 19.208 1.781 921 HB2 ARG 125 HB2 ARG 125 28.928 21.520 2.550 922 HB3 ARG 125 HB3 ARG 125 27.917 21.289 1.130 923 HG2 ARG 125 HG2 ARG 125 26.253 22.222 2.249 924 HG3 ARG 125 HG3 ARG 125 26.242 20.811 3.309 925 HD2 ARG 125 HD2 ARG 125 28.219 22.110 4.478 926 HD3 ARG 125 HD3 ARG 125 27.440 23.504 3.729 927 HE ARG 125 HE ARG 125 25.591 21.848 5.147 928 HH11 ARG 125 HH11 ARG 125 27.969 24.367 5.500 929 HH12 ARG 125 HH12 ARG 125 27.275 24.998 6.956 930 HH21 ARG 125 HH21 ARG 125 24.668 22.671 7.064 931 HH22 ARG 125 HH22 ARG 125 25.397 24.032 7.845 932 H GLU 126 H GLU 126 26.594 18.185 3.775 933 HA GLU 126 HA GLU 126 27.343 18.917 6.339 934 HB2 GLU 126 HB2 GLU 126 26.093 17.062 7.122 935 HB3 GLU 126 HB3 GLU 126 25.305 17.586 5.641 936 HG2 GLU 126 HG2 GLU 126 25.331 15.365 5.241 937 HG3 GLU 126 HG3 GLU 126 26.918 15.764 4.588 938 H ALA 127 H ALA 127 28.839 16.678 4.145 939 HA ALA 127 HA ALA 127 31.113 16.432 5.920 940 HB1 ALA 127 HB1 ALA 127 31.141 13.948 5.769 941 HB2 ALA 127 HB2 ALA 127 29.808 14.592 6.729 942 HB3 ALA 127 HB3 ALA 127 29.516 14.016 5.088 943 H LYS 128 H LYS 128 32.705 17.017 4.601 944 HA LYS 128 HA LYS 128 33.241 15.501 2.214 945 HB2 LYS 128 HB2 LYS 128 31.601 17.316 1.519 946 HB3 LYS 128 HB3 LYS 128 32.867 18.478 1.893 947 HG2 LYS 128 HG2 LYS 128 33.346 18.239 -0.288 948 HG3 LYS 128 HG3 LYS 128 34.230 16.820 0.277 949 HD2 LYS 128 HD2 LYS 128 32.590 15.351 -0.447 950 HD3 LYS 128 HD3 LYS 128 31.336 16.593 -0.446 951 HE2 LYS 128 HE2 LYS 128 32.025 15.921 -2.721 952 HE3 LYS 128 HE3 LYS 128 32.302 17.632 -2.396 953 HZ1 LYS 128 HZ1 LYS 128 34.176 16.601 -3.539 954 HZ2 LYS 128 HZ2 LYS 128 34.373 15.507 -2.265 955 HZ3 LYS 128 HZ3 LYS 128 34.627 17.160 -2.008 Start of MODEL 9 1 H1 MET 1 H MET 1 -17.513 7.595 -41.743 2 HA MET 1 HA MET 1 -17.684 4.655 -41.637 3 HB2 MET 1 HB2 MET 1 -18.860 5.865 -43.557 4 HB3 MET 1 HB3 MET 1 -17.252 6.268 -44.145 5 HG2 MET 1 HG2 MET 1 -16.848 4.184 -44.878 6 HG3 MET 1 HG3 MET 1 -17.696 3.430 -43.529 7 HE1 MET 1 HE1 MET 1 -19.518 1.588 -44.884 8 HE2 MET 1 HE2 MET 1 -19.384 1.896 -46.615 9 HE3 MET 1 HE3 MET 1 -17.936 1.874 -45.609 10 H ALA 2 H ALA 2 -15.835 3.503 -41.702 11 HA ALA 2 HA ALA 2 -13.613 3.016 -41.632 12 HB1 ALA 2 HB1 ALA 2 -12.913 5.376 -43.298 13 HB2 ALA 2 HB2 ALA 2 -12.343 3.709 -43.398 14 HB3 ALA 2 HB3 ALA 2 -13.946 4.130 -44.001 15 H TYR 3 H TYR 3 -11.321 4.398 -41.471 16 HA TYR 3 HA TYR 3 -11.651 6.580 -39.571 17 HB2 TYR 3 HB2 TYR 3 -10.054 5.446 -37.974 18 HB3 TYR 3 HB3 TYR 3 -11.664 4.739 -38.055 19 HD1 TYR 3 HD1 TYR 3 -8.137 4.290 -39.037 20 HD2 TYR 3 HD2 TYR 3 -11.994 2.504 -38.832 21 HE1 TYR 3 HE1 TYR 3 -7.141 2.095 -39.526 22 HE2 TYR 3 HE2 TYR 3 -11.008 0.304 -39.319 23 HH TYR 3 HH TYR 3 -7.616 -0.240 -39.275 24 H SER 4 H SER 4 -9.546 7.586 -39.006 25 HA SER 4 HA SER 4 -7.191 6.996 -40.463 26 HB2 SER 4 HB2 SER 4 -9.172 8.727 -41.760 27 HB3 SER 4 HB3 SER 4 -7.572 9.458 -41.637 28 HG SER 4 HG SER 4 -8.310 7.038 -42.898 29 H GLU 5 H GLU 5 -5.598 8.880 -40.321 30 HA GLU 5 HA GLU 5 -5.536 9.768 -37.611 31 HB2 GLU 5 HB2 GLU 5 -3.756 10.505 -39.942 32 HB3 GLU 5 HB3 GLU 5 -3.424 10.872 -38.255 33 HG2 GLU 5 HG2 GLU 5 -3.886 8.134 -38.298 34 HG3 GLU 5 HG3 GLU 5 -2.935 8.455 -39.747 35 H LYS 6 H LYS 6 -6.379 11.550 -36.775 36 HA LYS 6 HA LYS 6 -6.681 13.933 -38.446 37 HB2 LYS 6 HB2 LYS 6 -8.832 12.463 -38.271 38 HB3 LYS 6 HB3 LYS 6 -8.940 13.126 -36.645 39 HG2 LYS 6 HG2 LYS 6 -8.560 15.387 -38.066 40 HG3 LYS 6 HG3 LYS 6 -9.427 14.402 -39.247 41 HD2 LYS 6 HD2 LYS 6 -10.367 14.815 -36.414 42 HD3 LYS 6 HD3 LYS 6 -10.875 15.830 -37.766 43 HE2 LYS 6 HE2 LYS 6 -11.833 13.915 -38.888 44 HE3 LYS 6 HE3 LYS 6 -11.230 12.837 -37.630 45 HZ1 LYS 6 HZ1 LYS 6 -13.196 15.017 -37.182 46 HZ2 LYS 6 HZ2 LYS 6 -12.676 13.881 -36.042 47 HZ3 LYS 6 HZ3 LYS 6 -13.596 13.384 -37.372 48 H VAL 7 H VAL 7 -4.686 13.967 -36.823 49 HA VAL 7 HA VAL 7 -5.533 15.715 -34.644 50 HB VAL 7 HB VAL 7 -3.966 14.621 -33.056 51 HG11 VAL 7 HG11 VAL 7 -6.413 14.178 -33.061 52 HG12 VAL 7 HG12 VAL 7 -6.109 12.748 -34.049 53 HG13 VAL 7 HG13 VAL 7 -5.452 12.849 -32.415 54 HG21 VAL 7 HG21 VAL 7 -3.265 13.130 -35.387 55 HG22 VAL 7 HG22 VAL 7 -2.512 13.112 -33.792 56 HG23 VAL 7 HG23 VAL 7 -3.851 12.021 -34.147 57 H ILE 8 H ILE 8 -4.274 17.462 -34.493 58 HA ILE 8 HA ILE 8 -1.486 17.348 -35.326 59 HB ILE 8 HB ILE 8 -2.757 17.948 -37.375 60 HG12 ILE 8 HG12 ILE 8 -1.261 20.402 -36.527 61 HG13 ILE 8 HG13 ILE 8 -0.409 18.865 -36.636 62 HG21 ILE 8 HG21 ILE 8 -4.450 19.284 -35.853 63 HG22 ILE 8 HG22 ILE 8 -3.370 20.624 -36.238 64 HG23 ILE 8 HG23 ILE 8 -4.169 19.736 -37.534 65 HD11 ILE 8 HD11 ILE 8 -2.057 19.779 -38.940 66 HD12 ILE 8 HD12 ILE 8 -0.470 20.497 -38.662 67 HD13 ILE 8 HD13 ILE 8 -0.619 18.758 -38.914 68 H ASP 9 H ASP 9 -0.194 18.801 -34.285 69 HA ASP 9 HA ASP 9 -1.163 21.146 -33.001 70 HB2 ASP 9 HB2 ASP 9 -0.633 20.381 -30.656 71 HB3 ASP 9 HB3 ASP 9 -2.088 19.679 -31.358 72 H HIS 10 H HIS 10 0.511 22.404 -32.072 73 HA HIS 10 HA HIS 10 3.097 21.871 -33.220 74 HB2 HIS 10 HB2 HIS 10 1.674 24.165 -32.380 75 HB3 HIS 10 HB3 HIS 10 3.131 24.091 -31.395 76 HD1 HIS 10 HD1 HIS 10 2.212 25.914 -34.063 77 HD2 HIS 10 HD2 HIS 10 5.288 23.155 -33.631 78 HE1 HIS 10 HE1 HIS 10 3.889 26.493 -35.845 79 H TYR 11 H TYR 11 5.088 21.831 -32.028 80 HA TYR 11 HA TYR 11 4.984 20.108 -29.771 81 HB2 TYR 11 HB2 TYR 11 7.368 20.135 -29.833 82 HB3 TYR 11 HB3 TYR 11 6.822 20.188 -31.506 83 HD1 TYR 11 HD2 TYR 11 7.001 22.283 -32.802 84 HD2 TYR 11 HD1 TYR 11 8.579 21.961 -28.863 85 HE1 TYR 11 HE2 TYR 11 8.350 24.304 -33.182 86 HE2 TYR 11 HE1 TYR 11 9.931 23.982 -29.233 87 HH TYR 11 HH TYR 11 9.519 26.158 -31.077 88 H GLU 12 H GLU 12 6.378 20.647 -27.780 89 HA GLU 12 HA GLU 12 6.524 23.354 -26.916 90 HB2 GLU 12 HB2 GLU 12 4.028 22.799 -26.804 91 HB3 GLU 12 HB3 GLU 12 4.442 21.714 -25.484 92 HG2 GLU 12 HG2 GLU 12 3.777 23.678 -24.433 93 HG3 GLU 12 HG3 GLU 12 5.539 23.735 -24.389 94 H ASN 13 H ASN 13 6.268 19.964 -25.932 95 HA ASN 13 HA ASN 13 8.419 20.453 -23.977 96 HB2 ASN 13 HB2 ASN 13 7.490 18.400 -22.797 97 HB3 ASN 13 HB3 ASN 13 6.492 19.850 -22.725 98 HD21 ASN 13 HD21 ASN 13 4.581 19.938 -23.911 99 HD22 ASN 13 HD22 ASN 13 3.831 18.515 -24.542 100 HA PRO 14 HA PRO 14 9.977 17.558 -27.267 101 HB2 PRO 14 HB2 PRO 14 12.358 18.823 -27.587 102 HB3 PRO 14 HB3 PRO 14 10.898 19.284 -28.471 103 HG2 PRO 14 HG2 PRO 14 12.103 20.520 -26.025 104 HG3 PRO 14 HG3 PRO 14 11.416 21.311 -27.456 105 HD2 PRO 14 HD2 PRO 14 10.046 21.056 -25.134 106 HD3 PRO 14 HD3 PRO 14 9.248 21.042 -26.720 107 H ARG 15 H ARG 15 12.449 16.718 -27.264 108 HA ARG 15 HA ARG 15 12.787 15.534 -24.643 109 HB2 ARG 15 HB2 ARG 15 13.601 14.915 -27.383 110 HB3 ARG 15 HB3 ARG 15 14.873 14.621 -26.204 111 HG2 ARG 15 HG2 ARG 15 12.425 13.578 -25.187 112 HG3 ARG 15 HG3 ARG 15 12.661 12.993 -26.836 113 HD2 ARG 15 HD2 ARG 15 14.752 12.035 -26.299 114 HD3 ARG 15 HD3 ARG 15 14.832 12.892 -24.760 115 HE ARG 15 HE ARG 15 12.626 11.372 -24.477 116 HH11 ARG 15 HH11 ARG 15 15.879 10.651 -25.484 117 HH12 ARG 15 HH12 ARG 15 15.848 9.029 -24.875 118 HH21 ARG 15 HH21 ARG 15 12.572 9.239 -23.671 119 HH22 ARG 15 HH22 ARG 15 13.965 8.227 -23.845 120 H ASN 16 H ASN 16 15.131 15.255 -23.871 121 HA ASN 16 HA ASN 16 16.926 16.243 -22.880 122 HB2 ASN 16 HB2 ASN 16 17.645 16.161 -25.308 123 HB3 ASN 16 HB3 ASN 16 17.158 17.850 -25.427 124 HD21 ASN 16 HD21 ASN 16 19.267 15.638 -23.672 125 HD22 ASN 16 HD22 ASN 16 20.500 16.799 -23.330 126 H VAL 17 H VAL 17 14.981 17.277 -21.654 127 HA VAL 17 HA VAL 17 15.594 20.117 -21.429 128 HB VAL 17 HB VAL 17 13.701 20.167 -22.925 129 HG11 VAL 17 HG11 VAL 17 11.618 19.106 -22.497 130 HG12 VAL 17 HG12 VAL 17 12.870 17.882 -22.280 131 HG13 VAL 17 HG13 VAL 17 12.118 18.635 -20.873 132 HG21 VAL 17 HG21 VAL 17 13.868 21.539 -20.590 133 HG22 VAL 17 HG22 VAL 17 12.667 21.847 -21.844 134 HG23 VAL 17 HG23 VAL 17 12.256 20.838 -20.458 135 H GLY 18 H GLY 18 15.971 20.532 -19.359 136 HA2 GLY 18 HA2 GLY 18 15.639 20.595 -17.069 137 HA3 GLY 18 HA3 GLY 18 14.205 19.602 -17.287 138 H SER 19 H SER 19 17.709 19.545 -16.979 139 HA SER 19 HA SER 19 17.673 17.168 -15.441 140 HB2 SER 19 HB2 SER 19 17.341 16.427 -17.941 141 HB3 SER 19 HB3 SER 19 19.076 16.720 -18.050 142 HG SER 19 HG SER 19 19.320 14.852 -17.147 143 H PHE 20 H PHE 20 19.611 16.817 -14.405 144 HA PHE 20 HA PHE 20 21.469 18.996 -14.443 145 HB2 PHE 20 HB2 PHE 20 22.512 17.936 -12.576 146 HB3 PHE 20 HB3 PHE 20 20.778 17.697 -12.388 147 HD1 PHE 20 HD2 PHE 20 23.977 16.085 -13.113 148 HD2 PHE 20 HD1 PHE 20 19.791 15.508 -12.600 149 HE1 PHE 20 HE2 PHE 20 24.337 13.658 -12.929 150 HE2 PHE 20 HE1 PHE 20 20.145 13.080 -12.415 151 HZ PHE 20 HZ PHE 20 22.420 12.152 -12.580 152 H ASP 21 H ASP 21 23.661 18.952 -14.983 153 HA ASP 21 HA ASP 21 24.307 17.246 -17.203 154 HB2 ASP 21 HB2 ASP 21 25.082 19.461 -17.423 155 HB3 ASP 21 HB3 ASP 21 25.746 19.482 -15.792 156 H ASN 22 H ASN 22 26.358 18.008 -14.400 157 HA ASN 22 HA ASN 22 26.823 15.143 -13.996 158 HB2 ASN 22 HB2 ASN 22 29.165 15.308 -14.094 159 HB3 ASN 22 HB3 ASN 22 28.615 16.254 -15.474 160 HD21 ASN 22 HD21 ASN 22 31.100 16.371 -13.903 161 HD22 ASN 22 HD22 ASN 22 31.223 18.005 -13.354 162 H ASN 23 H ASN 23 28.711 15.236 -12.041 163 HA ASN 23 HA ASN 23 27.285 15.710 -9.729 164 HB2 ASN 23 HB2 ASN 23 29.871 14.809 -10.381 165 HB3 ASN 23 HB3 ASN 23 30.097 16.125 -9.233 166 HD21 ASN 23 HD21 ASN 23 30.737 14.882 -7.536 167 HD22 ASN 23 HD22 ASN 23 29.700 13.762 -6.727 168 H ASP 24 H ASP 24 26.675 17.478 -8.679 169 HA ASP 24 HA ASP 24 28.024 20.017 -9.314 170 HB2 ASP 24 HB2 ASP 24 25.703 20.795 -8.145 171 HB3 ASP 24 HB3 ASP 24 25.902 20.573 -9.881 172 H GLU 25 H GLU 25 26.832 17.966 -6.727 173 HA GLU 25 HA GLU 25 27.376 17.854 -4.517 174 HB2 GLU 25 HB2 GLU 25 29.403 20.037 -4.943 175 HB3 GLU 25 HB3 GLU 25 29.423 18.746 -3.750 176 HG2 GLU 25 HG2 GLU 25 29.684 17.128 -5.645 177 HG3 GLU 25 HG3 GLU 25 29.906 18.517 -6.707 178 H ASN 26 H ASN 26 25.726 20.136 -5.891 179 HA ASN 26 HA ASN 26 25.085 21.458 -3.376 180 HB2 ASN 26 HB2 ASN 26 24.959 23.509 -5.318 181 HB3 ASN 26 HB3 ASN 26 26.030 23.410 -3.923 182 HD21 ASN 26 HD21 ASN 26 25.706 22.855 -7.338 183 HD22 ASN 26 HD22 ASN 26 27.392 22.678 -7.674 184 H VAL 27 H VAL 27 23.928 19.552 -5.471 185 HA VAL 27 HA VAL 27 21.574 21.028 -6.351 186 HB VAL 27 HB VAL 27 22.718 19.386 -7.860 187 HG11 VAL 27 HG11 VAL 27 22.781 17.132 -7.455 188 HG12 VAL 27 HG12 VAL 27 22.941 17.749 -5.810 189 HG13 VAL 27 HG13 VAL 27 21.378 17.172 -6.388 190 HG21 VAL 27 HG21 VAL 27 20.685 18.506 -8.782 191 HG22 VAL 27 HG22 VAL 27 19.853 18.680 -7.237 192 HG23 VAL 27 HG23 VAL 27 20.353 20.113 -8.136 193 H GLY 28 H GLY 28 19.423 20.320 -5.870 194 HA2 GLY 28 HA2 GLY 28 19.235 18.819 -3.330 195 HA3 GLY 28 HA3 GLY 28 18.263 20.246 -3.659 196 H SER 29 H SER 29 18.185 16.969 -3.559 197 HA SER 29 HA SER 29 16.243 16.693 -5.738 198 HB2 SER 29 HB2 SER 29 18.159 14.910 -4.461 199 HB3 SER 29 HB3 SER 29 16.551 14.192 -4.556 200 HG SER 29 HG SER 29 16.741 14.051 -6.651 201 H GLY 30 H GLY 30 14.185 17.021 -5.237 202 HA2 GLY 30 HA2 GLY 30 13.279 16.313 -2.515 203 HA3 GLY 30 HA3 GLY 30 12.583 17.605 -3.481 204 H MET 31 H MET 31 12.451 14.299 -2.671 205 HA MET 31 HA MET 31 10.348 13.885 -4.693 206 HB2 MET 31 HB2 MET 31 12.294 12.502 -5.204 207 HB3 MET 31 HB3 MET 31 12.275 11.841 -3.574 208 HG2 MET 31 HG2 MET 31 9.714 11.471 -4.794 209 HG3 MET 31 HG3 MET 31 10.979 10.857 -5.856 210 HE1 MET 31 HE1 MET 31 9.002 8.590 -2.765 211 HE2 MET 31 HE2 MET 31 9.258 10.231 -2.170 212 HE3 MET 31 HE3 MET 31 8.511 9.970 -3.747 213 H VAL 32 H VAL 32 8.390 13.517 -3.892 214 HA VAL 32 HA VAL 32 8.114 12.222 -1.281 215 HB VAL 32 HB VAL 32 6.477 13.837 -0.505 216 HG11 VAL 32 HG11 VAL 32 7.971 15.789 -0.179 217 HG12 VAL 32 HG12 VAL 32 8.760 14.244 0.144 218 HG13 VAL 32 HG13 VAL 32 9.076 15.099 -1.367 219 HG21 VAL 32 HG21 VAL 32 5.495 14.595 -2.534 220 HG22 VAL 32 HG22 VAL 32 6.222 16.002 -1.757 221 HG23 VAL 32 HG23 VAL 32 7.035 15.228 -3.118 222 H GLY 33 H GLY 33 6.057 11.247 -0.919 223 HA2 GLY 33 HA2 GLY 33 4.079 11.276 -3.029 224 HA3 GLY 33 HA3 GLY 33 4.973 9.768 -2.904 225 H ALA 34 H ALA 34 2.442 9.380 -2.581 226 HA ALA 34 HA ALA 34 2.167 8.792 0.253 227 HB1 ALA 34 HB1 ALA 34 -0.379 9.731 -0.453 228 HB2 ALA 34 HB2 ALA 34 0.754 10.446 0.695 229 HB3 ALA 34 HB3 ALA 34 0.763 10.963 -0.991 230 HA PRO 35 HA PRO 35 0.400 5.082 -1.307 231 HB2 PRO 35 HB2 PRO 35 -1.095 4.330 0.831 232 HB3 PRO 35 HB3 PRO 35 0.670 4.227 0.809 233 HG2 PRO 35 HG2 PRO 35 -1.090 6.323 2.022 234 HG3 PRO 35 HG3 PRO 35 0.366 5.561 2.689 235 HD2 PRO 35 HD2 PRO 35 0.399 8.018 1.552 236 HD3 PRO 35 HD3 PRO 35 1.783 6.910 1.471 237 H ALA 36 H ALA 36 -1.952 7.093 0.473 238 HA ALA 36 HA ALA 36 -4.186 6.087 -1.001 239 HB1 ALA 36 HB1 ALA 36 -5.273 8.198 0.113 240 HB2 ALA 36 HB2 ALA 36 -4.835 6.792 1.083 241 HB3 ALA 36 HB3 ALA 36 -3.781 8.206 1.054 242 H CYS 37 H CYS 37 -1.992 8.770 -1.350 243 HA CYS 37 HA CYS 37 -3.618 10.200 -3.236 244 HB2 CYS 37 HB2 CYS 37 -0.688 10.475 -2.536 245 HB3 CYS 37 HB3 CYS 37 -1.586 11.586 -3.564 246 HG CYS 37 HG CYS 37 -2.962 11.106 -0.549 247 H GLY 38 H GLY 38 -1.200 7.706 -3.373 248 HA2 GLY 38 HA2 GLY 38 -0.260 6.555 -5.126 249 HA3 GLY 38 HA3 GLY 38 -1.804 6.831 -5.919 250 H ALA 39 H ALA 39 1.067 8.778 -5.078 251 HA ALA 39 HA ALA 39 1.667 9.315 -7.819 252 HB1 ALA 39 HB1 ALA 39 1.293 11.938 -6.890 253 HB2 ALA 39 HB2 ALA 39 0.403 11.106 -8.166 254 HB3 ALA 39 HB3 ALA 39 -0.188 11.060 -6.505 255 H VAL 40 H VAL 40 3.374 11.163 -7.926 256 HA VAL 40 HA VAL 40 4.963 11.391 -5.498 257 HB VAL 40 HB VAL 40 7.038 10.709 -6.832 258 HG11 VAL 40 HG11 VAL 40 5.135 8.454 -6.250 259 HG12 VAL 40 HG12 VAL 40 6.892 8.476 -6.083 260 HG13 VAL 40 HG13 VAL 40 5.888 9.416 -4.979 261 HG21 VAL 40 HG21 VAL 40 5.222 10.476 -8.892 262 HG22 VAL 40 HG22 VAL 40 6.862 9.827 -8.878 263 HG23 VAL 40 HG23 VAL 40 5.505 8.803 -8.410 264 H MET 41 H MET 41 6.190 13.218 -5.427 265 HA MET 41 HA MET 41 6.158 14.919 -7.834 266 HB2 MET 41 HB2 MET 41 5.956 15.699 -4.924 267 HB3 MET 41 HB3 MET 41 6.219 16.852 -6.225 268 HG2 MET 41 HG2 MET 41 4.088 16.072 -7.251 269 HG3 MET 41 HG3 MET 41 3.816 15.095 -5.810 270 HE1 MET 41 HE1 MET 41 4.017 19.701 -5.843 271 HE2 MET 41 HE2 MET 41 5.487 18.729 -5.772 272 HE3 MET 41 HE3 MET 41 4.443 18.649 -7.193 273 H LYS 42 H LYS 42 8.134 14.847 -8.696 274 HA LYS 42 HA LYS 42 10.464 14.897 -6.904 275 HB2 LYS 42 HB2 LYS 42 10.373 14.213 -9.847 276 HB3 LYS 42 HB3 LYS 42 11.755 14.040 -8.773 277 HG2 LYS 42 HG2 LYS 42 10.250 12.454 -7.427 278 HG3 LYS 42 HG3 LYS 42 9.239 12.423 -8.873 279 HD2 LYS 42 HD2 LYS 42 10.690 10.579 -9.084 280 HD3 LYS 42 HD3 LYS 42 11.352 11.819 -10.152 281 HE2 LYS 42 HE2 LYS 42 13.284 11.759 -9.060 282 HE3 LYS 42 HE3 LYS 42 12.466 12.157 -7.550 283 HZ1 LYS 42 HZ1 LYS 42 11.873 9.610 -7.669 284 HZ2 LYS 42 HZ2 LYS 42 13.331 10.148 -7.002 285 HZ3 LYS 42 HZ3 LYS 42 13.294 9.553 -8.585 286 H LEU 43 H LEU 43 11.432 16.787 -6.635 287 HA LEU 43 HA LEU 43 11.469 18.688 -8.882 288 HB2 LEU 43 HB2 LEU 43 10.775 19.137 -6.014 289 HB3 LEU 43 HB3 LEU 43 11.532 20.433 -6.937 290 HG LEU 43 HG LEU 43 9.658 20.355 -8.537 291 HD11 LEU 43 HD11 LEU 43 8.942 18.016 -6.902 292 HD12 LEU 43 HD12 LEU 43 8.609 18.366 -8.598 293 HD13 LEU 43 HD13 LEU 43 7.607 19.084 -7.337 294 HD21 LEU 43 HD21 LEU 43 9.250 22.031 -7.053 295 HD22 LEU 43 HD22 LEU 43 9.308 20.960 -5.653 296 HD23 LEU 43 HD23 LEU 43 7.873 20.994 -6.680 297 H GLN 44 H GLN 44 13.371 19.735 -9.263 298 HA GLN 44 HA GLN 44 15.621 19.072 -7.480 299 HB2 GLN 44 HB2 GLN 44 15.298 18.349 -10.155 300 HB3 GLN 44 HB3 GLN 44 16.418 19.704 -10.197 301 HG2 GLN 44 HG2 GLN 44 17.869 17.959 -9.980 302 HG3 GLN 44 HG3 GLN 44 17.618 18.385 -8.288 303 HE21 GLN 44 HE21 GLN 44 18.045 15.846 -10.135 304 HE22 GLN 44 HE22 GLN 44 17.032 14.680 -9.361 305 H ILE 45 H ILE 45 17.031 20.678 -6.935 306 HA ILE 45 HA ILE 45 16.585 23.338 -8.104 307 HB ILE 45 HB ILE 45 16.835 24.366 -5.881 308 HG12 ILE 45 HG12 ILE 45 16.666 21.516 -4.876 309 HG13 ILE 45 HG13 ILE 45 18.081 22.559 -4.786 310 HG21 ILE 45 HG21 ILE 45 14.582 22.640 -5.275 311 HG22 ILE 45 HG22 ILE 45 14.617 24.359 -5.660 312 HG23 ILE 45 HG23 ILE 45 14.592 23.166 -6.958 313 HD11 ILE 45 HD11 ILE 45 15.982 22.278 -2.924 314 HD12 ILE 45 HD12 ILE 45 17.385 23.345 -2.845 315 HD13 ILE 45 HD13 ILE 45 15.888 23.910 -3.587 316 H LYS 46 H LYS 46 18.378 24.872 -7.562 317 HA LYS 46 HA LYS 46 20.945 23.507 -7.144 318 HB2 LYS 46 HB2 LYS 46 20.206 24.125 -9.633 319 HB3 LYS 46 HB3 LYS 46 20.845 25.694 -9.161 320 HG2 LYS 46 HG2 LYS 46 22.330 23.074 -9.127 321 HG3 LYS 46 HG3 LYS 46 22.547 24.395 -10.277 322 HD2 LYS 46 HD2 LYS 46 23.079 25.837 -8.224 323 HD3 LYS 46 HD3 LYS 46 23.251 24.309 -7.358 324 HE2 LYS 46 HE2 LYS 46 25.415 24.666 -8.033 325 HE3 LYS 46 HE3 LYS 46 24.809 23.697 -9.375 326 HZ1 LYS 46 HZ1 LYS 46 25.868 26.296 -9.437 327 HZ2 LYS 46 HZ2 LYS 46 24.256 26.370 -9.942 328 HZ3 LYS 46 HZ3 LYS 46 25.343 25.343 -10.732 329 H VAL 47 H VAL 47 21.445 24.364 -5.198 330 HA VAL 47 HA VAL 47 21.163 27.248 -4.789 331 HB VAL 47 HB VAL 47 22.066 25.219 -2.750 332 HG11 VAL 47 HG11 VAL 47 21.299 26.897 -1.147 333 HG12 VAL 47 HG12 VAL 47 22.535 27.556 -2.221 334 HG13 VAL 47 HG13 VAL 47 20.837 27.960 -2.476 335 HG21 VAL 47 HG21 VAL 47 19.453 25.568 -3.930 336 HG22 VAL 47 HG22 VAL 47 20.016 24.348 -2.788 337 HG23 VAL 47 HG23 VAL 47 19.423 25.900 -2.198 338 H ASN 48 H ASN 48 22.888 28.573 -4.198 339 HA ASN 48 HA ASN 48 25.486 27.635 -5.135 340 HB2 ASN 48 HB2 ASN 48 25.052 30.443 -4.223 341 HB3 ASN 48 HB3 ASN 48 26.018 29.835 -5.565 342 HD21 ASN 48 HD21 ASN 48 23.083 31.205 -4.621 343 HD22 ASN 48 HD22 ASN 48 22.263 31.101 -6.139 344 H ASP 49 H ASP 49 27.221 29.241 -3.774 345 HA ASP 49 HA ASP 49 27.650 27.807 -1.392 346 HB2 ASP 49 HB2 ASP 49 29.271 29.236 -2.926 347 HB3 ASP 49 HB3 ASP 49 28.886 30.499 -1.761 348 H GLU 50 H GLU 50 26.574 31.161 -1.911 349 HA GLU 50 HA GLU 50 26.288 31.922 0.737 350 HB2 GLU 50 HB2 GLU 50 24.471 33.474 -0.171 351 HB3 GLU 50 HB3 GLU 50 26.076 33.620 -0.874 352 HG2 GLU 50 HG2 GLU 50 25.421 32.498 -2.844 353 HG3 GLU 50 HG3 GLU 50 23.909 31.957 -2.118 354 H GLY 51 H GLY 51 24.297 29.835 -1.198 355 HA2 GLY 51 HA2 GLY 51 22.834 28.239 -0.209 356 HA3 GLY 51 HA3 GLY 51 22.635 29.317 1.165 357 H ILE 52 H ILE 52 22.381 30.245 -2.223 358 HA ILE 52 HA ILE 52 19.515 30.771 -1.779 359 HB ILE 52 HB ILE 52 21.400 32.327 -3.553 360 HG12 ILE 52 HG12 ILE 52 21.886 32.810 -1.240 361 HG13 ILE 52 HG13 ILE 52 20.985 34.166 -1.910 362 HG21 ILE 52 HG21 ILE 52 19.334 32.522 -4.577 363 HG22 ILE 52 HG22 ILE 52 18.457 32.471 -3.049 364 HG23 ILE 52 HG23 ILE 52 19.357 33.919 -3.501 365 HD11 ILE 52 HD11 ILE 52 20.281 32.307 0.236 366 HD12 ILE 52 HD12 ILE 52 19.772 33.972 -0.045 367 HD13 ILE 52 HD13 ILE 52 18.979 32.651 -0.903 368 H ILE 53 H ILE 53 18.076 30.318 -3.434 369 HA ILE 53 HA ILE 53 18.860 28.220 -5.217 370 HB ILE 53 HB ILE 53 16.246 29.722 -5.042 371 HG12 ILE 53 HG12 ILE 53 16.961 28.462 -2.984 372 HG13 ILE 53 HG13 ILE 53 15.449 27.907 -3.694 373 HG21 ILE 53 HG21 ILE 53 15.309 27.807 -6.260 374 HG22 ILE 53 HG22 ILE 53 16.521 28.666 -7.209 375 HG23 ILE 53 HG23 ILE 53 16.930 27.137 -6.434 376 HD11 ILE 53 HD11 ILE 53 16.271 25.879 -4.153 377 HD12 ILE 53 HD12 ILE 53 17.839 26.514 -4.655 378 HD13 ILE 53 HD13 ILE 53 17.483 26.296 -2.942 379 H GLU 54 H GLU 54 19.886 28.560 -7.067 380 HA GLU 54 HA GLU 54 19.412 31.069 -8.520 381 HB2 GLU 54 HB2 GLU 54 21.717 30.843 -8.116 382 HB3 GLU 54 HB3 GLU 54 21.702 29.123 -8.482 383 HG2 GLU 54 HG2 GLU 54 20.966 31.007 -10.650 384 HG3 GLU 54 HG3 GLU 54 22.659 30.915 -10.169 385 H ASP 55 H ASP 55 19.036 27.639 -8.692 386 HA ASP 55 HA ASP 55 17.682 27.938 -11.267 387 HB2 ASP 55 HB2 ASP 55 20.220 26.736 -11.011 388 HB3 ASP 55 HB3 ASP 55 19.072 25.417 -11.224 389 H ALA 56 H ALA 56 16.083 26.361 -11.682 390 HA ALA 56 HA ALA 56 15.524 24.367 -9.646 391 HB1 ALA 56 HB1 ALA 56 14.456 26.709 -9.092 392 HB2 ALA 56 HB2 ALA 56 13.250 26.182 -10.266 393 HB3 ALA 56 HB3 ALA 56 13.563 25.211 -8.828 394 H ARG 57 H ARG 57 14.941 22.572 -10.662 395 HA ARG 57 HA ARG 57 13.218 22.734 -13.016 396 HB2 ARG 57 HB2 ARG 57 15.328 22.629 -14.080 397 HB3 ARG 57 HB3 ARG 57 15.936 21.444 -12.932 398 HG2 ARG 57 HG2 ARG 57 15.489 20.425 -15.089 399 HG3 ARG 57 HG3 ARG 57 14.420 19.767 -13.848 400 HD2 ARG 57 HD2 ARG 57 13.078 20.148 -15.763 401 HD3 ARG 57 HD3 ARG 57 12.692 21.429 -14.615 402 HE ARG 57 HE ARG 57 14.724 22.302 -16.359 403 HH11 ARG 57 HH11 ARG 57 11.321 21.571 -16.319 404 HH12 ARG 57 HH12 ARG 57 10.936 22.676 -17.596 405 HH21 ARG 57 HH21 ARG 57 14.230 23.761 -18.041 406 HH22 ARG 57 HH22 ARG 57 12.591 23.921 -18.575 407 H PHE 58 H PHE 58 11.670 21.225 -13.001 408 HA PHE 58 HA PHE 58 12.025 18.892 -11.238 409 HB2 PHE 58 HB2 PHE 58 9.781 19.054 -10.481 410 HB3 PHE 58 HB3 PHE 58 10.443 20.681 -10.364 411 HD1 PHE 58 HD1 PHE 58 10.052 22.179 -12.496 412 HD2 PHE 58 HD2 PHE 58 7.721 18.774 -11.453 413 HE1 PHE 58 HE1 PHE 58 8.196 23.034 -13.866 414 HE2 PHE 58 HE2 PHE 58 5.862 19.623 -12.822 415 HZ PHE 58 HZ PHE 58 6.098 21.755 -14.032 416 H LYS 59 H LYS 59 10.820 16.990 -11.834 417 HA LYS 59 HA LYS 59 10.054 16.921 -14.678 418 HB2 LYS 59 HB2 LYS 59 11.517 14.741 -13.178 419 HB3 LYS 59 HB3 LYS 59 11.049 14.706 -14.873 420 HG2 LYS 59 HG2 LYS 59 12.858 15.838 -15.499 421 HG3 LYS 59 HG3 LYS 59 12.652 17.036 -14.218 422 HD2 LYS 59 HD2 LYS 59 13.479 14.974 -12.734 423 HD3 LYS 59 HD3 LYS 59 14.258 14.545 -14.259 424 HE2 LYS 59 HE2 LYS 59 15.248 16.818 -14.332 425 HE3 LYS 59 HE3 LYS 59 14.550 17.138 -12.745 426 HZ1 LYS 59 HZ1 LYS 59 16.620 15.126 -13.427 427 HZ2 LYS 59 HZ2 LYS 59 15.831 15.178 -11.932 428 HZ3 LYS 59 HZ3 LYS 59 16.790 16.481 -12.427 429 H THR 60 H THR 60 8.047 16.242 -15.005 430 HA THR 60 HA THR 60 6.440 15.271 -12.844 431 HB THR 60 HB THR 60 4.809 14.882 -14.917 432 HG1 THR 60 HG1 THR 60 5.334 16.297 -16.603 433 HG21 THR 60 HG21 THR 60 3.963 16.476 -13.559 434 HG22 THR 60 HG22 THR 60 4.608 17.582 -14.772 435 HG23 THR 60 HG23 THR 60 5.532 17.241 -13.310 436 H TYR 61 H TYR 61 5.589 13.246 -12.520 437 HA TYR 61 HA TYR 61 5.764 11.103 -14.342 438 HB2 TYR 61 HB2 TYR 61 8.193 11.356 -13.760 439 HB3 TYR 61 HB3 TYR 61 7.782 10.958 -12.096 440 HD1 TYR 61 HD1 TYR 61 7.361 9.598 -15.551 441 HD2 TYR 61 HD2 TYR 61 7.942 8.753 -11.422 442 HE1 TYR 61 HE1 TYR 61 7.577 7.205 -16.078 443 HE2 TYR 61 HE2 TYR 61 8.162 6.358 -11.937 444 HH TYR 61 HH TYR 61 7.587 4.781 -13.637 445 H GLY 62 H GLY 62 3.610 10.925 -13.621 446 HA2 GLY 62 HA2 GLY 62 2.667 9.036 -12.156 447 HA3 GLY 62 HA3 GLY 62 3.267 10.028 -10.835 448 H CYS 63 H CYS 63 1.125 10.159 -10.012 449 HA CYS 63 HA CYS 63 -0.901 11.140 -9.693 450 HB2 CYS 63 HB2 CYS 63 0.060 13.259 -11.619 451 HB3 CYS 63 HB3 CYS 63 -1.140 13.437 -10.344 452 HG CYS 63 HG CYS 63 1.444 14.709 -9.848 453 H GLY 64 H GLY 64 -2.670 12.499 -11.237 454 HA2 GLY 64 HA2 GLY 64 -3.230 10.546 -13.376 455 HA3 GLY 64 HA3 GLY 64 -4.456 11.425 -12.474 456 H SER 65 H SER 65 -3.599 14.000 -12.601 457 HA SER 65 HA SER 65 -2.690 14.917 -15.079 458 HB2 SER 65 HB2 SER 65 -5.558 14.211 -14.969 459 HB3 SER 65 HB3 SER 65 -5.197 15.800 -15.641 460 HG SER 65 HG SER 65 -4.303 14.892 -17.331 461 H ALA 66 H ALA 66 -3.023 17.250 -15.368 462 HA ALA 66 HA ALA 66 -3.050 19.393 -14.600 463 HB1 ALA 66 HB1 ALA 66 -4.982 20.022 -13.671 464 HB2 ALA 66 HB2 ALA 66 -5.433 18.319 -13.773 465 HB3 ALA 66 HB3 ALA 66 -4.760 18.964 -12.276 466 H ILE 67 H ILE 67 -1.031 19.753 -13.854 467 HA ILE 67 HA ILE 67 -0.602 19.402 -10.973 468 HB ILE 67 HB ILE 67 1.514 18.757 -13.026 469 HG12 ILE 67 HG12 ILE 67 1.018 16.425 -11.685 470 HG13 ILE 67 HG13 ILE 67 -0.600 17.108 -11.809 471 HG21 ILE 67 HG21 ILE 67 2.643 19.421 -11.119 472 HG22 ILE 67 HG22 ILE 67 1.415 18.763 -10.038 473 HG23 ILE 67 HG23 ILE 67 2.514 17.678 -10.890 474 HD11 ILE 67 HD11 ILE 67 -0.690 16.204 -13.828 475 HD12 ILE 67 HD12 ILE 67 0.466 17.434 -14.340 476 HD13 ILE 67 HD13 ILE 67 1.037 15.847 -13.824 477 H ALA 68 H ALA 68 -1.262 21.745 -11.324 478 HA ALA 68 HA ALA 68 0.771 23.474 -12.440 479 HB1 ALA 68 HB1 ALA 68 -1.982 23.777 -11.464 480 HB2 ALA 68 HB2 ALA 68 -0.926 25.157 -11.162 481 HB3 ALA 68 HB3 ALA 68 -1.157 24.567 -12.808 482 H SER 69 H SER 69 0.003 22.112 -9.384 483 HA SER 69 HA SER 69 0.903 23.977 -7.568 484 HB2 SER 69 HB2 SER 69 1.604 21.061 -7.289 485 HB3 SER 69 HB3 SER 69 1.159 22.211 -6.028 486 HG SER 69 HG SER 69 -0.796 21.517 -6.295 487 H SER 70 H SER 70 2.898 21.352 -8.934 488 HA SER 70 HA SER 70 5.341 22.306 -7.952 489 HB2 SER 70 HB2 SER 70 4.789 19.999 -8.949 490 HB3 SER 70 HB3 SER 70 5.088 20.745 -10.518 491 HG SER 70 HG SER 70 7.006 21.123 -8.534 492 H SER 71 H SER 71 3.702 22.867 -11.036 493 HA SER 71 HA SER 71 5.684 24.206 -12.416 494 HB2 SER 71 HB2 SER 71 3.075 23.626 -12.916 495 HB3 SER 71 HB3 SER 71 2.982 25.372 -12.687 496 HG SER 71 HG SER 71 4.189 25.687 -14.430 497 H LEU 72 H LEU 72 3.434 25.461 -9.998 498 HA LEU 72 HA LEU 72 4.484 28.148 -10.230 499 HB2 LEU 72 HB2 LEU 72 2.699 28.811 -9.018 500 HB3 LEU 72 HB3 LEU 72 2.066 27.259 -9.562 501 HG LEU 72 HG LEU 72 3.128 26.428 -7.287 502 HD11 LEU 72 HD11 LEU 72 2.214 28.899 -6.089 503 HD12 LEU 72 HD12 LEU 72 3.637 29.143 -7.102 504 HD13 LEU 72 HD13 LEU 72 3.683 27.970 -5.786 505 HD21 LEU 72 HD21 LEU 72 0.516 27.465 -8.073 506 HD22 LEU 72 HD22 LEU 72 0.786 27.486 -6.330 507 HD23 LEU 72 HD23 LEU 72 0.939 25.976 -7.229 508 H VAL 73 H VAL 73 4.886 25.355 -8.180 509 HA VAL 73 HA VAL 73 6.153 26.636 -5.999 510 HB VAL 73 HB VAL 73 6.271 23.789 -6.987 511 HG11 VAL 73 HG11 VAL 73 7.191 23.372 -4.625 512 HG12 VAL 73 HG12 VAL 73 8.301 23.987 -5.852 513 HG13 VAL 73 HG13 VAL 73 7.626 25.081 -4.644 514 HG21 VAL 73 HG21 VAL 73 5.086 24.553 -4.386 515 HG22 VAL 73 HG22 VAL 73 4.209 25.044 -5.835 516 HG23 VAL 73 HG23 VAL 73 4.568 23.340 -5.557 517 H THR 74 H THR 74 7.304 25.465 -9.086 518 HA THR 74 HA THR 74 10.076 25.507 -8.468 519 HB THR 74 HB THR 74 10.216 25.768 -11.083 520 HG1 THR 74 HG1 THR 74 8.353 25.426 -12.138 521 HG21 THR 74 HG21 THR 74 10.539 23.542 -11.091 522 HG22 THR 74 HG22 THR 74 8.917 23.210 -10.482 523 HG23 THR 74 HG23 THR 74 10.209 23.643 -9.362 524 H GLU 75 H GLU 75 7.961 27.810 -10.172 525 HA GLU 75 HA GLU 75 9.953 29.752 -10.626 526 HB2 GLU 75 HB2 GLU 75 7.027 30.377 -10.283 527 HB3 GLU 75 HB3 GLU 75 8.205 31.195 -11.301 528 HG2 GLU 75 HG2 GLU 75 8.187 28.561 -12.200 529 HG3 GLU 75 HG3 GLU 75 6.496 28.958 -11.899 530 H TRP 76 H TRP 76 8.170 28.894 -7.822 531 HA TRP 76 HA TRP 76 8.472 31.427 -6.484 532 HB2 TRP 76 HB2 TRP 76 7.143 28.887 -5.965 533 HB3 TRP 76 HB3 TRP 76 7.947 29.520 -4.531 534 HD1 TRP 76 HD1 TRP 76 5.802 30.273 -3.235 535 HE1 TRP 76 HE1 TRP 76 4.028 32.095 -3.633 536 HE3 TRP 76 HE3 TRP 76 6.984 31.517 -8.050 537 HZ2 TRP 76 HZ2 TRP 76 3.235 33.829 -5.714 538 HZ3 TRP 76 HZ3 TRP 76 5.669 33.267 -9.173 539 HH2 TRP 76 HH2 TRP 76 3.833 34.398 -8.028 540 H VAL 77 H VAL 77 10.012 28.238 -6.313 541 HA VAL 77 HA VAL 77 11.833 28.982 -4.239 542 HB VAL 77 HB VAL 77 12.086 26.680 -6.177 543 HG11 VAL 77 HG11 VAL 77 13.494 27.494 -3.696 544 HG12 VAL 77 HG12 VAL 77 13.183 25.773 -3.933 545 HG13 VAL 77 HG13 VAL 77 14.109 26.676 -5.133 546 HG21 VAL 77 HG21 VAL 77 10.100 27.158 -4.202 547 HG22 VAL 77 HG22 VAL 77 10.336 25.723 -5.201 548 HG23 VAL 77 HG23 VAL 77 11.138 25.849 -3.635 549 H LYS 78 H LYS 78 11.877 29.061 -7.729 550 HA LYS 78 HA LYS 78 14.624 29.294 -8.181 551 HB2 LYS 78 HB2 LYS 78 12.166 29.807 -9.668 552 HB3 LYS 78 HB3 LYS 78 13.460 30.917 -10.101 553 HG2 LYS 78 HG2 LYS 78 14.701 28.448 -10.047 554 HG3 LYS 78 HG3 LYS 78 13.118 28.118 -10.755 555 HD2 LYS 78 HD2 LYS 78 14.607 30.496 -11.734 556 HD3 LYS 78 HD3 LYS 78 15.188 28.903 -12.224 557 HE2 LYS 78 HE2 LYS 78 12.389 28.874 -12.531 558 HE3 LYS 78 HE3 LYS 78 12.953 30.401 -13.209 559 HZ1 LYS 78 HZ1 LYS 78 14.302 27.874 -13.903 560 HZ2 LYS 78 HZ2 LYS 78 14.250 29.325 -14.769 561 HZ3 LYS 78 HZ3 LYS 78 12.883 28.330 -14.704 562 H GLY 79 H GLY 79 15.765 30.640 -6.873 563 HA2 GLY 79 HA2 GLY 79 16.710 32.892 -6.917 564 HA3 GLY 79 HA3 GLY 79 15.067 33.505 -7.037 565 H LYS 80 H LYS 80 14.037 31.640 -5.029 566 HA LYS 80 HA LYS 80 14.508 33.242 -2.725 567 HB2 LYS 80 HB2 LYS 80 12.653 31.219 -3.540 568 HB3 LYS 80 HB3 LYS 80 13.297 30.794 -1.960 569 HG2 LYS 80 HG2 LYS 80 11.496 32.065 -1.362 570 HG3 LYS 80 HG3 LYS 80 12.761 33.295 -1.404 571 HD2 LYS 80 HD2 LYS 80 11.814 34.367 -3.132 572 HD3 LYS 80 HD3 LYS 80 11.451 32.864 -3.983 573 HE2 LYS 80 HE2 LYS 80 9.400 32.627 -2.965 574 HE3 LYS 80 HE3 LYS 80 9.868 33.581 -1.559 575 HZ1 LYS 80 HZ1 LYS 80 10.009 35.445 -3.411 576 HZ2 LYS 80 HZ2 LYS 80 8.568 35.092 -2.598 577 HZ3 LYS 80 HZ3 LYS 80 8.843 34.461 -4.144 578 H SER 81 H SER 81 15.068 32.220 -0.575 579 HA SER 81 HA SER 81 17.588 30.795 -0.888 580 HB2 SER 81 HB2 SER 81 17.943 31.348 1.490 581 HB3 SER 81 HB3 SER 81 17.552 32.785 0.545 582 HG SER 81 HG SER 81 16.411 32.421 2.641 583 H LEU 82 H LEU 82 18.043 29.225 1.057 584 HA LEU 82 HA LEU 82 16.421 26.962 0.679 585 HB2 LEU 82 HB2 LEU 82 18.266 27.433 3.008 586 HB3 LEU 82 HB3 LEU 82 17.774 25.887 2.320 587 HG LEU 82 HG LEU 82 19.244 27.749 0.541 588 HD11 LEU 82 HD11 LEU 82 20.749 26.098 2.545 589 HD12 LEU 82 HD12 LEU 82 20.366 27.796 2.830 590 HD13 LEU 82 HD13 LEU 82 21.362 27.337 1.449 591 HD21 LEU 82 HD21 LEU 82 18.593 25.679 -0.395 592 HD22 LEU 82 HD22 LEU 82 19.149 24.779 1.016 593 HD23 LEU 82 HD23 LEU 82 20.319 25.541 -0.062 594 H ASP 83 H ASP 83 16.758 29.088 3.519 595 HA ASP 83 HA ASP 83 14.733 27.836 5.036 596 HB2 ASP 83 HB2 ASP 83 16.022 30.556 5.179 597 HB3 ASP 83 HB3 ASP 83 14.751 30.070 6.298 598 H GLU 84 H GLU 84 14.644 30.148 2.472 599 HA GLU 84 HA GLU 84 12.068 31.230 3.040 600 HB2 GLU 84 HB2 GLU 84 13.948 31.295 0.724 601 HB3 GLU 84 HB3 GLU 84 12.272 31.749 0.449 602 HG2 GLU 84 HG2 GLU 84 13.756 32.987 2.713 603 HG3 GLU 84 HG3 GLU 84 14.061 33.544 1.069 604 H ALA 85 H ALA 85 13.188 28.899 0.583 605 HA ALA 85 HA ALA 85 10.618 28.211 -0.341 606 HB1 ALA 85 HB1 ALA 85 12.092 27.488 -1.877 607 HB2 ALA 85 HB2 ALA 85 13.351 27.182 -0.680 608 HB3 ALA 85 HB3 ALA 85 12.063 26.003 -0.926 609 H GLN 86 H GLN 86 12.635 26.915 2.235 610 HA GLN 86 HA GLN 86 10.977 24.644 2.746 611 HB2 GLN 86 HB2 GLN 86 13.510 25.294 3.438 612 HB3 GLN 86 HB3 GLN 86 12.672 25.688 4.933 613 HG2 GLN 86 HG2 GLN 86 11.633 23.236 4.300 614 HG3 GLN 86 HG3 GLN 86 13.306 23.098 3.763 615 HE21 GLN 86 HE21 GLN 86 11.650 24.633 6.505 616 HE22 GLN 86 HE22 GLN 86 12.653 23.930 7.723 617 H ALA 87 H ALA 87 10.906 27.964 3.657 618 HA ALA 87 HA ALA 87 9.275 27.605 5.999 619 HB1 ALA 87 HB1 ALA 87 10.226 29.973 4.438 620 HB2 ALA 87 HB2 ALA 87 8.962 30.153 5.656 621 HB3 ALA 87 HB3 ALA 87 10.549 29.535 6.116 622 H ILE 88 H ILE 88 8.723 27.702 2.636 623 HA ILE 88 HA ILE 88 6.252 28.887 2.359 624 HB ILE 88 HB ILE 88 7.284 26.407 0.980 625 HG12 ILE 88 HG12 ILE 88 7.218 29.291 0.068 626 HG13 ILE 88 HG13 ILE 88 8.640 28.478 0.713 627 HG21 ILE 88 HG21 ILE 88 4.934 28.170 0.309 628 HG22 ILE 88 HG22 ILE 88 5.620 26.963 -0.777 629 HG23 ILE 88 HG23 ILE 88 4.893 26.464 0.750 630 HD11 ILE 88 HD11 ILE 88 7.217 27.985 -1.874 631 HD12 ILE 88 HD12 ILE 88 8.906 28.412 -1.600 632 HD13 ILE 88 HD13 ILE 88 8.324 26.802 -1.178 633 H LYS 89 H LYS 89 4.175 28.356 2.788 634 HA LYS 89 HA LYS 89 3.735 25.902 4.349 635 HB2 LYS 89 HB2 LYS 89 2.006 28.378 4.248 636 HB3 LYS 89 HB3 LYS 89 1.831 27.016 5.346 637 HG2 LYS 89 HG2 LYS 89 2.892 28.494 6.712 638 HG3 LYS 89 HG3 LYS 89 4.290 27.670 6.017 639 HD2 LYS 89 HD2 LYS 89 5.038 29.653 5.338 640 HD3 LYS 89 HD3 LYS 89 3.663 29.740 4.235 641 HE2 LYS 89 HE2 LYS 89 3.837 30.802 7.048 642 HE3 LYS 89 HE3 LYS 89 3.674 31.729 5.558 643 HZ1 LYS 89 HZ1 LYS 89 1.652 30.034 6.891 644 HZ2 LYS 89 HZ2 LYS 89 1.499 30.484 5.268 645 HZ3 LYS 89 HZ3 LYS 89 1.543 31.670 6.473 646 H ASN 90 H ASN 90 2.282 24.405 3.708 647 HA ASN 90 HA ASN 90 1.531 24.098 1.091 648 HB2 ASN 90 HB2 ASN 90 -0.072 22.422 1.858 649 HB3 ASN 90 HB3 ASN 90 1.423 22.303 2.782 650 HD21 ASN 90 HD21 ASN 90 -1.940 22.824 2.887 651 HD22 ASN 90 HD22 ASN 90 -2.084 23.068 4.592 652 H THR 91 H THR 91 -0.316 25.626 3.694 653 HA THR 91 HA THR 91 -2.739 26.029 2.451 654 HB THR 91 HB THR 91 -2.377 26.634 4.783 655 HG1 THR 91 HG1 THR 91 -3.386 28.800 4.633 656 HG21 THR 91 HG21 THR 91 -0.854 28.128 5.525 657 HG22 THR 91 HG22 THR 91 -1.132 29.233 4.179 658 HG23 THR 91 HG23 THR 91 -0.085 27.830 3.967 659 H ASP 92 H ASP 92 0.258 27.828 2.048 660 HA ASP 92 HA ASP 92 -0.843 29.944 0.511 661 HB2 ASP 92 HB2 ASP 92 1.489 29.697 1.727 662 HB3 ASP 92 HB3 ASP 92 1.998 29.085 0.156 663 H ILE 93 H ILE 93 0.468 26.785 -0.281 664 HA ILE 93 HA ILE 93 0.465 27.253 -3.119 665 HB ILE 93 HB ILE 93 0.736 24.685 -1.553 666 HG12 ILE 93 HG12 ILE 93 3.106 25.382 -2.932 667 HG13 ILE 93 HG13 ILE 93 2.550 26.841 -2.121 668 HG21 ILE 93 HG21 ILE 93 1.001 25.260 -4.494 669 HG22 ILE 93 HG22 ILE 93 1.686 23.827 -3.728 670 HG23 ILE 93 HG23 ILE 93 -0.057 24.091 -3.703 671 HD11 ILE 93 HD11 ILE 93 2.885 25.976 -0.043 672 HD12 ILE 93 HD12 ILE 93 2.618 24.314 -0.569 673 HD13 ILE 93 HD13 ILE 93 4.142 25.121 -0.936 674 H ALA 94 H ALA 94 -1.684 25.769 -0.770 675 HA ALA 94 HA ALA 94 -3.425 24.475 -2.554 676 HB1 ALA 94 HB1 ALA 94 -3.893 23.755 -0.468 677 HB2 ALA 94 HB2 ALA 94 -3.514 25.311 0.271 678 HB3 ALA 94 HB3 ALA 94 -5.074 25.064 -0.514 679 H GLU 95 H GLU 95 -3.626 27.706 -1.070 680 HA GLU 95 HA GLU 95 -5.987 28.411 -2.531 681 HB2 GLU 95 HB2 GLU 95 -4.057 30.176 -1.013 682 HB3 GLU 95 HB3 GLU 95 -5.655 30.646 -1.576 683 HG2 GLU 95 HG2 GLU 95 -5.167 28.407 0.370 684 HG3 GLU 95 HG3 GLU 95 -5.504 30.070 0.849 685 H GLU 96 H GLU 96 -2.588 28.582 -3.105 686 HA GLU 96 HA GLU 96 -2.337 30.695 -4.859 687 HB2 GLU 96 HB2 GLU 96 -0.881 28.229 -4.310 688 HB3 GLU 96 HB3 GLU 96 -0.741 28.731 -5.989 689 HG2 GLU 96 HG2 GLU 96 -0.261 30.666 -3.758 690 HG3 GLU 96 HG3 GLU 96 1.002 29.562 -4.298 691 H LEU 97 H LEU 97 -3.204 27.335 -5.656 692 HA LEU 97 HA LEU 97 -4.205 28.296 -8.252 693 HB2 LEU 97 HB2 LEU 97 -3.511 25.460 -7.526 694 HB3 LEU 97 HB3 LEU 97 -3.849 26.107 -9.130 695 HG LEU 97 HG LEU 97 -1.484 27.059 -7.550 696 HD11 LEU 97 HD11 LEU 97 -0.153 25.367 -8.811 697 HD12 LEU 97 HD12 LEU 97 -1.670 24.590 -9.265 698 HD13 LEU 97 HD13 LEU 97 -1.203 24.689 -7.567 699 HD21 LEU 97 HD21 LEU 97 -0.611 27.606 -9.728 700 HD22 LEU 97 HD22 LEU 97 -2.224 28.301 -9.559 701 HD23 LEU 97 HD23 LEU 97 -1.989 26.836 -10.515 702 H GLU 98 H GLU 98 -5.184 27.281 -5.236 703 HA GLU 98 HA GLU 98 -7.205 26.737 -4.343 704 HB2 GLU 98 HB2 GLU 98 -8.418 27.270 -7.050 705 HB3 GLU 98 HB3 GLU 98 -9.187 27.400 -5.475 706 HG2 GLU 98 HG2 GLU 98 -7.704 29.293 -4.940 707 HG3 GLU 98 HG3 GLU 98 -7.024 29.187 -6.562 708 H LEU 99 H LEU 99 -5.838 24.580 -4.817 709 HA LEU 99 HA LEU 99 -6.689 22.713 -6.678 710 HB2 LEU 99 HB2 LEU 99 -5.469 22.537 -3.967 711 HB3 LEU 99 HB3 LEU 99 -6.070 21.062 -4.720 712 HG LEU 99 HG LEU 99 -3.655 21.375 -5.046 713 HD11 LEU 99 HD11 LEU 99 -5.195 21.651 -7.621 714 HD12 LEU 99 HD12 LEU 99 -5.043 20.158 -6.696 715 HD13 LEU 99 HD13 LEU 99 -3.611 20.906 -7.402 716 HD21 LEU 99 HD21 LEU 99 -3.650 23.834 -5.077 717 HD22 LEU 99 HD22 LEU 99 -4.450 23.805 -6.649 718 HD23 LEU 99 HD23 LEU 99 -2.821 23.148 -6.475 719 HA PRO 100 HA PRO 100 -10.778 21.594 -5.507 720 HB2 PRO 100 HB2 PRO 100 -10.861 19.071 -6.506 721 HB3 PRO 100 HB3 PRO 100 -10.906 20.511 -7.529 722 HG2 PRO 100 HG2 PRO 100 -8.594 18.727 -6.869 723 HG3 PRO 100 HG3 PRO 100 -9.054 19.430 -8.430 724 HD2 PRO 100 HD2 PRO 100 -7.086 20.469 -6.888 725 HD3 PRO 100 HD3 PRO 100 -8.115 21.474 -7.929 726 HA PRO 101 HA PRO 101 -10.654 19.361 -1.715 727 HB2 PRO 101 HB2 PRO 101 -13.196 18.411 -1.607 728 HB3 PRO 101 HB3 PRO 101 -12.794 20.113 -1.350 729 HG2 PRO 101 HG2 PRO 101 -13.830 18.763 -3.812 730 HG3 PRO 101 HG3 PRO 101 -14.311 20.315 -3.101 731 HD2 PRO 101 HD2 PRO 101 -12.633 20.140 -5.219 732 HD3 PRO 101 HD3 PRO 101 -12.509 21.431 -4.006 733 H VAL 102 H VAL 102 -11.083 17.821 -4.702 734 HA VAL 102 HA VAL 102 -11.645 15.178 -3.958 735 HB VAL 102 HB VAL 102 -10.595 14.524 -6.097 736 HG11 VAL 102 HG11 VAL 102 -12.464 16.881 -6.105 737 HG12 VAL 102 HG12 VAL 102 -12.053 15.977 -7.564 738 HG13 VAL 102 HG13 VAL 102 -12.868 15.169 -6.224 739 HG21 VAL 102 HG21 VAL 102 -10.021 16.806 -7.445 740 HG22 VAL 102 HG22 VAL 102 -9.423 17.207 -5.835 741 HG23 VAL 102 HG23 VAL 102 -8.815 15.778 -6.671 742 H LYS 103 H LYS 103 -8.620 16.971 -4.075 743 HA LYS 103 HA LYS 103 -7.371 15.044 -2.333 744 HB2 LYS 103 HB2 LYS 103 -7.091 14.283 -4.814 745 HB3 LYS 103 HB3 LYS 103 -5.909 15.583 -4.896 746 HG2 LYS 103 HG2 LYS 103 -4.708 13.610 -4.424 747 HG3 LYS 103 HG3 LYS 103 -4.771 14.526 -2.917 748 HD2 LYS 103 HD2 LYS 103 -5.271 12.350 -2.251 749 HD3 LYS 103 HD3 LYS 103 -6.859 13.109 -2.395 750 HE2 LYS 103 HE2 LYS 103 -6.816 12.187 -4.810 751 HE3 LYS 103 HE3 LYS 103 -5.533 11.133 -4.217 752 HZ1 LYS 103 HZ1 LYS 103 -7.507 9.931 -3.955 753 HZ2 LYS 103 HZ2 LYS 103 -8.353 11.256 -3.329 754 HZ3 LYS 103 HZ3 LYS 103 -7.155 10.503 -2.402 755 H ILE 104 H ILE 104 -7.785 17.340 -1.377 756 HA ILE 104 HA ILE 104 -6.297 19.566 -2.029 757 HB ILE 104 HB ILE 104 -6.999 18.594 0.743 758 HG12 ILE 104 HG12 ILE 104 -8.926 18.895 -0.797 759 HG13 ILE 104 HG13 ILE 104 -8.947 20.029 0.549 760 HG21 ILE 104 HG21 ILE 104 -5.480 20.225 1.236 761 HG22 ILE 104 HG22 ILE 104 -5.770 21.104 -0.264 762 HG23 ILE 104 HG23 ILE 104 -6.928 21.214 1.061 763 HD11 ILE 104 HD11 ILE 104 -9.566 21.036 -1.618 764 HD12 ILE 104 HD12 ILE 104 -8.164 21.799 -0.866 765 HD13 ILE 104 HD13 ILE 104 -7.944 20.680 -2.211 766 H HIS 105 H HIS 105 -5.238 16.592 -0.608 767 HA HIS 105 HA HIS 105 -2.897 17.366 0.672 768 HB2 HIS 105 HB2 HIS 105 -4.091 14.923 -0.186 769 HB3 HIS 105 HB3 HIS 105 -2.400 14.905 -0.677 770 HD1 HIS 105 HD1 HIS 105 -4.062 16.146 2.520 771 HD2 HIS 105 HD2 HIS 105 -1.086 13.542 1.246 772 HE1 HIS 105 HE1 HIS 105 -3.038 15.216 4.620 773 H CYS 106 H CYS 106 -3.654 17.310 -2.684 774 HA CYS 106 HA CYS 106 -1.126 17.013 -3.827 775 HB2 CYS 106 HB2 CYS 106 -3.589 18.503 -4.715 776 HB3 CYS 106 HB3 CYS 106 -2.130 18.462 -5.697 777 HG CYS 106 HG CYS 106 -2.997 15.410 -4.760 778 H SER 107 H SER 107 -2.435 19.587 -1.985 779 HA SER 107 HA SER 107 -0.535 21.551 -2.982 780 HB2 SER 107 HB2 SER 107 -2.511 22.645 -2.494 781 HB3 SER 107 HB3 SER 107 -2.868 21.607 -1.114 782 HG SER 107 HG SER 107 -1.873 22.973 0.127 783 H ILE 108 H ILE 108 -1.017 19.464 -0.218 784 HA ILE 108 HA ILE 108 1.011 20.669 1.403 785 HB ILE 108 HB ILE 108 -0.391 18.005 1.588 786 HG12 ILE 108 HG12 ILE 108 -1.072 19.381 3.808 787 HG13 ILE 108 HG13 ILE 108 -0.809 20.722 2.698 788 HG21 ILE 108 HG21 ILE 108 1.570 17.492 2.674 789 HG22 ILE 108 HG22 ILE 108 1.836 19.151 3.205 790 HG23 ILE 108 HG23 ILE 108 0.613 18.158 3.997 791 HD11 ILE 108 HD11 ILE 108 -3.122 20.120 2.670 792 HD12 ILE 108 HD12 ILE 108 -2.400 19.660 1.127 793 HD13 ILE 108 HD13 ILE 108 -2.725 18.432 2.350 794 H LEU 109 H LEU 109 0.952 18.276 -1.098 795 HA LEU 109 HA LEU 109 3.483 17.093 -0.443 796 HB2 LEU 109 HB2 LEU 109 1.626 16.937 -2.788 797 HB3 LEU 109 HB3 LEU 109 3.239 16.230 -2.865 798 HG LEU 109 HG LEU 109 1.061 15.469 -0.918 799 HD11 LEU 109 HD11 LEU 109 1.259 13.279 -2.194 800 HD12 LEU 109 HD12 LEU 109 2.109 14.203 -3.432 801 HD13 LEU 109 HD13 LEU 109 0.445 14.611 -3.014 802 HD21 LEU 109 HD21 LEU 109 2.812 13.495 -0.696 803 HD22 LEU 109 HD22 LEU 109 2.921 14.951 0.294 804 HD23 LEU 109 HD23 LEU 109 3.941 14.778 -1.135 805 H ALA 110 H ALA 110 2.434 19.879 -2.158 806 HA ALA 110 HA ALA 110 4.652 20.189 -3.900 807 HB1 ALA 110 HB1 ALA 110 3.149 21.644 -4.675 808 HB2 ALA 110 HB2 ALA 110 2.316 21.740 -3.123 809 HB3 ALA 110 HB3 ALA 110 3.737 22.741 -3.426 810 H GLU 111 H GLU 111 3.948 21.359 -0.634 811 HA GLU 111 HA GLU 111 6.455 22.789 -0.467 812 HB2 GLU 111 HB2 GLU 111 5.753 23.274 1.852 813 HB3 GLU 111 HB3 GLU 111 4.525 23.710 0.673 814 HG2 GLU 111 HG2 GLU 111 3.032 22.372 1.612 815 HG3 GLU 111 HG3 GLU 111 4.150 21.009 1.605 816 H ASP 112 H ASP 112 5.271 19.641 0.252 817 HA ASP 112 HA ASP 112 7.243 18.963 2.215 818 HB2 ASP 112 HB2 ASP 112 5.266 17.374 0.597 819 HB3 ASP 112 HB3 ASP 112 6.466 16.577 1.610 820 H ALA 113 H ALA 113 7.032 18.844 -1.261 821 HA ALA 113 HA ALA 113 9.237 17.072 -1.653 822 HB1 ALA 113 HB1 ALA 113 9.134 18.034 -4.020 823 HB2 ALA 113 HB2 ALA 113 7.722 17.155 -3.433 824 HB3 ALA 113 HB3 ALA 113 7.713 18.918 -3.462 825 H ILE 114 H ILE 114 8.857 20.597 -2.031 826 HA ILE 114 HA ILE 114 11.452 21.233 -2.735 827 HB ILE 114 HB ILE 114 11.037 23.468 -1.758 828 HG12 ILE 114 HG12 ILE 114 8.503 22.163 -0.742 829 HG13 ILE 114 HG13 ILE 114 9.807 22.826 0.237 830 HG21 ILE 114 HG21 ILE 114 9.778 22.259 -3.892 831 HG22 ILE 114 HG22 ILE 114 8.457 23.040 -3.025 832 HG23 ILE 114 HG23 ILE 114 9.839 23.991 -3.567 833 HD11 ILE 114 HD11 ILE 114 8.236 24.494 0.333 834 HD12 ILE 114 HD12 ILE 114 9.247 25.037 -1.006 835 HD13 ILE 114 HD13 ILE 114 7.707 24.240 -1.330 836 H LYS 115 H LYS 115 10.099 20.634 0.460 837 HA LYS 115 HA LYS 115 12.347 21.480 1.954 838 HB2 LYS 115 HB2 LYS 115 10.102 21.181 2.930 839 HB3 LYS 115 HB3 LYS 115 10.232 19.444 2.682 840 HG2 LYS 115 HG2 LYS 115 11.942 19.245 4.297 841 HG3 LYS 115 HG3 LYS 115 12.176 20.993 4.369 842 HD2 LYS 115 HD2 LYS 115 9.583 19.670 5.129 843 HD3 LYS 115 HD3 LYS 115 10.888 19.939 6.287 844 HE2 LYS 115 HE2 LYS 115 10.787 22.326 5.890 845 HE3 LYS 115 HE3 LYS 115 9.564 22.094 4.642 846 HZ1 LYS 115 HZ1 LYS 115 8.272 20.960 6.562 847 HZ2 LYS 115 HZ2 LYS 115 8.298 22.648 6.457 848 HZ3 LYS 115 HZ3 LYS 115 9.304 21.854 7.561 849 H ALA 116 H ALA 116 11.548 18.508 0.314 850 HA ALA 116 HA ALA 116 13.524 16.893 1.592 851 HB1 ALA 116 HB1 ALA 116 12.007 16.529 -0.986 852 HB2 ALA 116 HB2 ALA 116 13.082 15.318 -0.287 853 HB3 ALA 116 HB3 ALA 116 11.634 15.821 0.585 854 H ALA 117 H ALA 117 13.469 18.980 -1.217 855 HA ALA 117 HA ALA 117 15.970 18.070 -2.279 856 HB1 ALA 117 HB1 ALA 117 14.328 19.044 -3.757 857 HB2 ALA 117 HB2 ALA 117 14.371 20.560 -2.855 858 HB3 ALA 117 HB3 ALA 117 15.788 20.033 -3.763 859 H ILE 118 H ILE 118 14.923 20.833 -0.325 860 HA ILE 118 HA ILE 118 17.369 22.196 -0.243 861 HB ILE 118 HB ILE 118 15.175 22.107 1.830 862 HG12 ILE 118 HG12 ILE 118 15.753 24.232 -0.237 863 HG13 ILE 118 HG13 ILE 118 14.609 22.920 -0.502 864 HG21 ILE 118 HG21 ILE 118 16.338 24.506 2.180 865 HG22 ILE 118 HG22 ILE 118 16.767 23.069 3.107 866 HG23 ILE 118 HG23 ILE 118 17.745 23.547 1.720 867 HD11 ILE 118 HD11 ILE 118 13.060 24.222 0.390 868 HD12 ILE 118 HD12 ILE 118 13.877 24.026 1.941 869 HD13 ILE 118 HD13 ILE 118 14.265 25.401 0.908 870 H ALA 119 H ALA 119 16.187 19.449 1.566 871 HA ALA 119 HA ALA 119 18.180 19.516 3.602 872 HB1 ALA 119 HB1 ALA 119 16.280 18.329 4.206 873 HB2 ALA 119 HB2 ALA 119 16.209 17.465 2.670 874 HB3 ALA 119 HB3 ALA 119 17.447 17.054 3.857 875 H ASP 120 H ASP 120 17.810 17.644 0.603 876 HA ASP 120 HA ASP 120 20.057 16.044 0.789 877 HB2 ASP 120 HB2 ASP 120 18.194 16.099 -1.008 878 HB3 ASP 120 HB3 ASP 120 19.223 17.270 -1.827 879 H TYR 121 H TYR 121 19.797 19.417 -0.124 880 HA TYR 121 HA TYR 121 22.383 19.727 -1.207 881 HB2 TYR 121 HB2 TYR 121 20.771 21.422 -1.662 882 HB3 TYR 121 HB3 TYR 121 20.460 21.684 0.051 883 HD1 TYR 121 HD2 TYR 121 22.947 22.168 -2.643 884 HD2 TYR 121 HD1 TYR 121 21.784 23.189 1.320 885 HE1 TYR 121 HE2 TYR 121 24.624 23.967 -2.621 886 HE2 TYR 121 HE1 TYR 121 23.457 24.992 1.353 887 HH TYR 121 HH TYR 121 25.583 25.575 -1.434 888 H LYS 122 H LYS 122 21.141 20.612 2.018 889 HA LYS 122 HA LYS 122 23.583 21.360 3.135 890 HB2 LYS 122 HB2 LYS 122 21.323 20.053 4.650 891 HB3 LYS 122 HB3 LYS 122 22.514 21.189 5.271 892 HG2 LYS 122 HG2 LYS 122 21.549 22.881 3.661 893 HG3 LYS 122 HG3 LYS 122 20.230 21.737 3.399 894 HD2 LYS 122 HD2 LYS 122 21.026 22.696 6.138 895 HD3 LYS 122 HD3 LYS 122 19.840 23.543 5.141 896 HE2 LYS 122 HE2 LYS 122 18.344 22.193 6.121 897 HE3 LYS 122 HE3 LYS 122 18.951 20.966 5.010 898 HZ1 LYS 122 HZ1 LYS 122 20.578 20.349 6.762 899 HZ2 LYS 122 HZ2 LYS 122 18.968 20.062 7.193 900 HZ3 LYS 122 HZ3 LYS 122 19.786 21.403 7.823 901 H SER 123 H SER 123 22.306 18.233 2.441 902 HA SER 123 HA SER 123 24.078 16.832 4.243 903 HB2 SER 123 HB2 SER 123 22.059 15.685 3.919 904 HB3 SER 123 HB3 SER 123 22.061 15.981 2.181 905 HG SER 123 HG SER 123 22.683 13.894 2.414 906 H LYS 124 H LYS 124 24.160 18.021 1.022 907 HA LYS 124 HA LYS 124 26.163 16.229 0.032 908 HB2 LYS 124 HB2 LYS 124 24.453 18.109 -1.091 909 HB3 LYS 124 HB3 LYS 124 26.049 18.818 -1.298 910 HG2 LYS 124 HG2 LYS 124 25.870 17.610 -3.225 911 HG3 LYS 124 HG3 LYS 124 26.657 16.426 -2.179 912 HD2 LYS 124 HD2 LYS 124 24.067 15.903 -1.635 913 HD3 LYS 124 HD3 LYS 124 23.931 16.451 -3.307 914 HE2 LYS 124 HE2 LYS 124 25.996 14.429 -2.521 915 HE3 LYS 124 HE3 LYS 124 24.331 13.938 -2.826 916 HZ1 LYS 124 HZ1 LYS 124 26.251 15.162 -4.711 917 HZ2 LYS 124 HZ2 LYS 124 24.588 15.155 -5.018 918 HZ3 LYS 124 HZ3 LYS 124 25.424 13.694 -4.859 919 H ARG 125 H ARG 125 26.147 19.292 1.708 920 HA ARG 125 HA ARG 125 29.050 19.539 1.394 921 HB2 ARG 125 HB2 ARG 125 28.802 21.789 2.261 922 HB3 ARG 125 HB3 ARG 125 27.660 21.534 0.949 923 HG2 ARG 125 HG2 ARG 125 26.121 22.361 2.321 924 HG3 ARG 125 HG3 ARG 125 26.216 20.822 3.180 925 HD2 ARG 125 HD2 ARG 125 28.303 22.102 4.291 926 HD3 ARG 125 HD3 ARG 125 27.270 23.481 3.915 927 HE ARG 125 HE ARG 125 26.826 21.482 5.928 928 HH11 ARG 125 HH11 ARG 125 25.313 23.825 3.845 929 HH12 ARG 125 HH12 ARG 125 23.920 24.018 4.857 930 HH21 ARG 125 HH21 ARG 125 24.997 21.727 7.268 931 HH22 ARG 125 HH22 ARG 125 23.741 22.824 6.804 932 H GLU 126 H GLU 126 26.875 18.150 3.464 933 HA GLU 126 HA GLU 126 28.254 18.777 5.935 934 HB2 GLU 126 HB2 GLU 126 25.750 17.451 5.166 935 HB3 GLU 126 HB3 GLU 126 26.570 16.695 6.525 936 HG2 GLU 126 HG2 GLU 126 26.505 19.565 6.808 937 HG3 GLU 126 HG3 GLU 126 24.887 18.898 6.597 938 H ALA 127 H ALA 127 28.081 16.175 3.599 939 HA ALA 127 HA ALA 127 30.310 14.858 4.989 940 HB1 ALA 127 HB1 ALA 127 28.332 13.582 5.540 941 HB2 ALA 127 HB2 ALA 127 27.899 13.465 3.834 942 HB3 ALA 127 HB3 ALA 127 29.348 12.658 4.432 943 H LYS 128 H LYS 128 31.922 15.344 3.606 944 HA LYS 128 HA LYS 128 31.955 14.060 1.042 945 HB2 LYS 128 HB2 LYS 128 30.741 16.157 0.517 946 HB3 LYS 128 HB3 LYS 128 32.112 17.079 1.121 947 HG2 LYS 128 HG2 LYS 128 32.654 15.082 -0.995 948 HG3 LYS 128 HG3 LYS 128 31.768 16.537 -1.456 949 HD2 LYS 128 HD2 LYS 128 33.687 17.724 -0.090 950 HD3 LYS 128 HD3 LYS 128 34.564 16.240 -0.472 951 HE2 LYS 128 HE2 LYS 128 35.079 17.735 -2.213 952 HE3 LYS 128 HE3 LYS 128 33.876 16.635 -2.885 953 HZ1 LYS 128 HZ1 LYS 128 33.260 19.321 -1.780 954 HZ2 LYS 128 HZ2 LYS 128 32.184 18.282 -2.569 955 HZ3 LYS 128 HZ3 LYS 128 33.460 18.986 -3.427 Start of MODEL 10 1 H1 MET 1 H MET 1 9.867 8.613 2.008 2 HA MET 1 HA MET 1 8.688 6.962 3.826 3 HB2 MET 1 HB2 MET 1 7.487 9.231 4.369 4 HB3 MET 1 HB3 MET 1 6.510 8.826 2.963 5 HG2 MET 1 HG2 MET 1 5.658 6.893 3.972 6 HG3 MET 1 HG3 MET 1 6.898 6.899 5.224 7 HE1 MET 1 HE1 MET 1 6.938 7.919 7.185 8 HE2 MET 1 HE2 MET 1 5.724 8.939 7.959 9 HE3 MET 1 HE3 MET 1 5.411 7.219 7.723 10 H ALA 2 H ALA 2 9.086 5.447 2.260 11 HA ALA 2 HA ALA 2 7.044 5.022 0.319 12 HB1 ALA 2 HB1 ALA 2 9.765 5.851 -0.672 13 HB2 ALA 2 HB2 ALA 2 8.544 5.064 -1.673 14 HB3 ALA 2 HB3 ALA 2 8.222 6.651 -0.975 15 H TYR 3 H TYR 3 6.746 2.916 0.619 16 HA TYR 3 HA TYR 3 9.104 1.186 0.945 17 HB2 TYR 3 HB2 TYR 3 7.407 1.254 2.806 18 HB3 TYR 3 HB3 TYR 3 6.249 0.536 1.692 19 HD1 TYR 3 HD2 TYR 3 9.806 -0.124 2.661 20 HD2 TYR 3 HD1 TYR 3 5.906 -1.709 2.039 21 HE1 TYR 3 HE2 TYR 3 10.627 -2.364 3.258 22 HE2 TYR 3 HE1 TYR 3 6.717 -3.954 2.636 23 HH TYR 3 HH TYR 3 8.714 -5.208 2.796 24 H SER 4 H SER 4 6.104 1.634 -0.822 25 HA SER 4 HA SER 4 6.968 -0.471 -2.694 26 HB2 SER 4 HB2 SER 4 4.822 -0.833 -1.194 27 HB3 SER 4 HB3 SER 4 4.067 0.200 -2.408 28 HG SER 4 HG SER 4 3.894 -1.977 -3.003 29 H GLU 5 H GLU 5 6.981 0.031 -4.822 30 HA GLU 5 HA GLU 5 6.257 2.790 -5.524 31 HB2 GLU 5 HB2 GLU 5 8.596 2.208 -5.910 32 HB3 GLU 5 HB3 GLU 5 8.111 0.841 -6.903 33 HG2 GLU 5 HG2 GLU 5 7.032 2.450 -8.467 34 HG3 GLU 5 HG3 GLU 5 7.729 3.760 -7.515 35 H LYS 6 H LYS 6 5.914 -0.565 -6.572 36 HA LYS 6 HA LYS 6 4.350 0.024 -8.876 37 HB2 LYS 6 HB2 LYS 6 3.823 -2.404 -8.842 38 HB3 LYS 6 HB3 LYS 6 5.546 -2.067 -8.750 39 HG2 LYS 6 HG2 LYS 6 5.667 -3.332 -6.942 40 HG3 LYS 6 HG3 LYS 6 4.609 -2.199 -6.099 41 HD2 LYS 6 HD2 LYS 6 2.705 -3.486 -7.324 42 HD3 LYS 6 HD3 LYS 6 3.924 -4.751 -7.504 43 HE2 LYS 6 HE2 LYS 6 4.242 -4.219 -4.904 44 HE3 LYS 6 HE3 LYS 6 2.550 -3.756 -5.075 45 HZ1 LYS 6 HZ1 LYS 6 3.485 -6.339 -6.136 46 HZ2 LYS 6 HZ2 LYS 6 1.933 -5.889 -5.636 47 HZ3 LYS 6 HZ3 LYS 6 3.140 -6.180 -4.487 48 H VAL 7 H VAL 7 2.346 0.777 -8.893 49 HA VAL 7 HA VAL 7 0.467 -0.144 -6.828 50 HB VAL 7 HB VAL 7 -0.568 2.171 -6.909 51 HG11 VAL 7 HG11 VAL 7 1.058 1.146 -5.143 52 HG12 VAL 7 HG12 VAL 7 2.187 2.347 -5.772 53 HG13 VAL 7 HG13 VAL 7 0.648 2.859 -5.078 54 HG21 VAL 7 HG21 VAL 7 0.313 3.801 -8.145 55 HG22 VAL 7 HG22 VAL 7 1.938 3.478 -7.539 56 HG23 VAL 7 HG23 VAL 7 1.312 2.567 -8.913 57 H ILE 8 H ILE 8 -1.006 -1.296 -7.889 58 HA ILE 8 HA ILE 8 -2.269 -2.071 -9.663 59 HB ILE 8 HB ILE 8 -3.881 -0.731 -8.554 60 HG12 ILE 8 HG12 ILE 8 -4.280 0.465 -11.231 61 HG13 ILE 8 HG13 ILE 8 -4.050 -1.280 -11.202 62 HG21 ILE 8 HG21 ILE 8 -4.109 1.691 -8.952 63 HG22 ILE 8 HG22 ILE 8 -2.566 1.269 -8.211 64 HG23 ILE 8 HG23 ILE 8 -2.644 1.648 -9.932 65 HD11 ILE 8 HD11 ILE 8 -6.193 -1.492 -10.716 66 HD12 ILE 8 HD12 ILE 8 -5.885 -0.707 -9.167 67 HD13 ILE 8 HD13 ILE 8 -6.373 0.255 -10.562 68 H ASP 9 H ASP 9 -0.569 -2.340 -11.210 69 HA ASP 9 HA ASP 9 0.196 -2.181 -13.355 70 HB2 ASP 9 HB2 ASP 9 -1.538 0.224 -13.839 71 HB3 ASP 9 HB3 ASP 9 -1.029 -1.020 -14.977 72 H HIS 10 H HIS 10 -0.513 1.217 -12.541 73 HA HIS 10 HA HIS 10 0.816 3.058 -12.406 74 HB2 HIS 10 HB2 HIS 10 1.863 1.554 -10.618 75 HB3 HIS 10 HB3 HIS 10 3.118 1.207 -11.804 76 HD1 HIS 10 HD1 HIS 10 1.508 4.412 -10.502 77 HD2 HIS 10 HD2 HIS 10 5.241 2.799 -11.356 78 HE1 HIS 10 HE1 HIS 10 3.165 6.219 -9.943 79 H TYR 11 H TYR 11 0.387 2.313 -14.939 80 HA TYR 11 HA TYR 11 2.734 1.830 -16.462 81 HB2 TYR 11 HB2 TYR 11 0.537 1.282 -17.351 82 HB3 TYR 11 HB3 TYR 11 0.055 2.973 -17.279 83 HD1 TYR 11 HD1 TYR 11 3.100 1.241 -18.593 84 HD2 TYR 11 HD2 TYR 11 -0.189 3.814 -19.412 85 HE1 TYR 11 HE1 TYR 11 3.935 1.570 -20.882 86 HE2 TYR 11 HE2 TYR 11 0.637 4.149 -21.704 87 HH TYR 11 HH TYR 11 3.166 2.242 -23.045 88 H GLU 12 H GLU 12 4.253 3.359 -15.707 89 HA GLU 12 HA GLU 12 4.422 5.716 -17.236 90 HB2 GLU 12 HB2 GLU 12 4.329 7.356 -15.328 91 HB3 GLU 12 HB3 GLU 12 2.779 6.679 -15.806 92 HG2 GLU 12 HG2 GLU 12 2.437 5.776 -13.805 93 HG3 GLU 12 HG3 GLU 12 4.075 5.129 -13.722 94 H ASN 13 H ASN 13 6.529 5.713 -17.618 95 HA ASN 13 HA ASN 13 8.373 5.424 -15.347 96 HB2 ASN 13 HB2 ASN 13 8.415 3.944 -17.964 97 HB3 ASN 13 HB3 ASN 13 9.904 4.222 -17.066 98 HD21 ASN 13 HD21 ASN 13 10.402 2.896 -15.448 99 HD22 ASN 13 HD22 ASN 13 9.361 1.676 -14.805 100 HA PRO 14 HA PRO 14 9.236 9.205 -17.944 101 HB2 PRO 14 HB2 PRO 14 9.286 10.938 -15.854 102 HB3 PRO 14 HB3 PRO 14 7.802 10.514 -16.716 103 HG2 PRO 14 HG2 PRO 14 8.851 9.458 -14.119 104 HG3 PRO 14 HG3 PRO 14 7.195 9.924 -14.550 105 HD2 PRO 14 HD2 PRO 14 8.017 7.344 -14.502 106 HD3 PRO 14 HD3 PRO 14 6.783 7.932 -15.635 107 H ARG 15 H ARG 15 11.328 9.102 -18.488 108 HA ARG 15 HA ARG 15 13.329 9.397 -16.354 109 HB2 ARG 15 HB2 ARG 15 14.826 7.867 -17.579 110 HB3 ARG 15 HB3 ARG 15 13.356 7.066 -17.039 111 HG2 ARG 15 HG2 ARG 15 12.429 7.408 -19.337 112 HG3 ARG 15 HG3 ARG 15 14.027 7.975 -19.825 113 HD2 ARG 15 HD2 ARG 15 14.968 5.897 -19.655 114 HD3 ARG 15 HD3 ARG 15 13.835 5.368 -18.412 115 HE ARG 15 HE ARG 15 12.372 5.707 -20.741 116 HH11 ARG 15 HH11 ARG 15 14.997 3.721 -19.609 117 HH12 ARG 15 HH12 ARG 15 14.603 2.384 -20.638 118 HH21 ARG 15 HH21 ARG 15 11.842 3.954 -22.101 119 HH22 ARG 15 HH22 ARG 15 12.808 2.518 -22.056 120 H ASN 16 H ASN 16 15.067 10.700 -16.817 121 HA ASN 16 HA ASN 16 16.264 12.346 -17.834 122 HB2 ASN 16 HB2 ASN 16 15.252 11.245 -20.459 123 HB3 ASN 16 HB3 ASN 16 16.729 12.161 -20.175 124 HD21 ASN 16 HD21 ASN 16 16.505 9.618 -21.441 125 HD22 ASN 16 HD22 ASN 16 17.404 8.490 -20.490 126 H VAL 17 H VAL 17 13.828 13.108 -16.885 127 HA VAL 17 HA VAL 17 13.008 15.130 -18.859 128 HB VAL 17 HB VAL 17 11.093 13.765 -16.966 129 HG11 VAL 17 HG11 VAL 17 9.565 14.854 -18.882 130 HG12 VAL 17 HG12 VAL 17 10.014 15.707 -17.403 131 HG13 VAL 17 HG13 VAL 17 10.910 15.995 -18.896 132 HG21 VAL 17 HG21 VAL 17 11.923 13.103 -19.739 133 HG22 VAL 17 HG22 VAL 17 11.422 12.041 -18.423 134 HG23 VAL 17 HG23 VAL 17 10.214 12.950 -19.331 135 H GLY 18 H GLY 18 14.775 16.153 -17.420 136 HA2 GLY 18 HA2 GLY 18 14.890 18.142 -16.142 137 HA3 GLY 18 HA3 GLY 18 13.373 17.704 -15.370 138 H SER 19 H SER 19 16.569 16.159 -15.731 139 HA SER 19 HA SER 19 16.749 16.013 -12.807 140 HB2 SER 19 HB2 SER 19 17.346 13.694 -12.821 141 HB3 SER 19 HB3 SER 19 15.860 13.844 -13.759 142 HG SER 19 HG SER 19 17.309 13.952 -15.641 143 H PHE 20 H PHE 20 19.089 14.668 -12.531 144 HA PHE 20 HA PHE 20 21.046 16.050 -14.220 145 HB2 PHE 20 HB2 PHE 20 22.307 16.847 -12.348 146 HB3 PHE 20 HB3 PHE 20 20.640 17.360 -12.109 147 HD1 PHE 20 HD2 PHE 20 19.180 15.979 -10.555 148 HD2 PHE 20 HD1 PHE 20 23.416 15.597 -10.727 149 HE1 PHE 20 HE2 PHE 20 19.171 14.917 -8.336 150 HE2 PHE 20 HE1 PHE 20 23.414 14.534 -8.508 151 HZ PHE 20 HZ PHE 20 21.290 14.194 -7.309 152 H ASP 21 H ASP 21 22.748 14.824 -14.773 153 HA ASP 21 HA ASP 21 23.324 12.407 -13.214 154 HB2 ASP 21 HB2 ASP 21 23.266 10.970 -15.061 155 HB3 ASP 21 HB3 ASP 21 21.848 11.988 -15.294 156 H ASN 22 H ASN 22 24.599 15.078 -13.599 157 HA ASN 22 HA ASN 22 27.206 14.132 -14.596 158 HB2 ASN 22 HB2 ASN 22 25.691 16.567 -15.195 159 HB3 ASN 22 HB3 ASN 22 27.356 16.882 -14.713 160 HD21 ASN 22 HD21 ASN 22 27.453 17.677 -16.951 161 HD22 ASN 22 HD22 ASN 22 27.821 16.547 -18.205 162 H ASN 23 H ASN 23 25.478 15.071 -11.917 163 HA ASN 23 HA ASN 23 26.044 15.527 -9.762 164 HB2 ASN 23 HB2 ASN 23 28.066 13.887 -10.706 165 HB3 ASN 23 HB3 ASN 23 28.941 15.253 -10.018 166 HD21 ASN 23 HD21 ASN 23 28.927 12.572 -9.057 167 HD22 ASN 23 HD22 ASN 23 28.267 12.601 -7.460 168 H ASP 24 H ASP 24 25.705 17.627 -9.376 169 HA ASP 24 HA ASP 24 27.618 19.602 -10.385 170 HB2 ASP 24 HB2 ASP 24 24.979 19.728 -10.532 171 HB3 ASP 24 HB3 ASP 24 25.143 20.375 -8.902 172 H GLU 25 H GLU 25 26.924 17.857 -7.592 173 HA GLU 25 HA GLU 25 27.744 17.920 -5.470 174 HB2 GLU 25 HB2 GLU 25 29.562 20.154 -6.357 175 HB3 GLU 25 HB3 GLU 25 29.823 18.997 -5.060 176 HG2 GLU 25 HG2 GLU 25 29.726 17.243 -6.982 177 HG3 GLU 25 HG3 GLU 25 30.087 18.631 -8.006 178 H ASN 26 H ASN 26 25.723 19.970 -6.615 179 HA ASN 26 HA ASN 26 25.307 21.329 -4.110 180 HB2 ASN 26 HB2 ASN 26 25.207 23.601 -5.174 181 HB3 ASN 26 HB3 ASN 26 26.829 22.921 -5.073 182 HD21 ASN 26 HD21 ASN 26 27.524 24.279 -6.740 183 HD22 ASN 26 HD22 ASN 26 27.116 23.972 -8.390 184 H VAL 27 H VAL 27 24.005 19.451 -6.072 185 HA VAL 27 HA VAL 27 21.594 20.979 -6.748 186 HB VAL 27 HB VAL 27 22.573 19.618 -8.545 187 HG11 VAL 27 HG11 VAL 27 23.137 17.448 -8.356 188 HG12 VAL 27 HG12 VAL 27 23.141 17.790 -6.624 189 HG13 VAL 27 HG13 VAL 27 21.722 17.060 -7.377 190 HG21 VAL 27 HG21 VAL 27 20.452 19.630 -9.222 191 HG22 VAL 27 HG22 VAL 27 20.299 18.018 -8.523 192 HG23 VAL 27 HG23 VAL 27 19.855 19.437 -7.574 193 H GLY 28 H GLY 28 19.732 20.730 -5.673 194 HA2 GLY 28 HA2 GLY 28 19.674 18.731 -3.516 195 HA3 GLY 28 HA3 GLY 28 18.707 20.196 -3.576 196 H SER 29 H SER 29 18.299 17.074 -3.518 197 HA SER 29 HA SER 29 16.167 17.061 -5.554 198 HB2 SER 29 HB2 SER 29 18.057 14.925 -4.645 199 HB3 SER 29 HB3 SER 29 16.454 14.462 -5.218 200 HG SER 29 HG SER 29 17.045 15.893 -7.093 201 H GLY 30 H GLY 30 14.127 16.521 -4.947 202 HA2 GLY 30 HA2 GLY 30 13.715 15.610 -2.176 203 HA3 GLY 30 HA3 GLY 30 12.857 17.026 -2.766 204 H MET 31 H MET 31 12.488 13.859 -2.139 205 HA MET 31 HA MET 31 10.437 13.544 -4.231 206 HB2 MET 31 HB2 MET 31 12.291 11.968 -4.558 207 HB3 MET 31 HB3 MET 31 12.081 11.372 -2.917 208 HG2 MET 31 HG2 MET 31 9.640 11.265 -4.500 209 HG3 MET 31 HG3 MET 31 10.957 10.309 -5.175 210 HE1 MET 31 HE1 MET 31 8.059 9.156 -2.171 211 HE2 MET 31 HE2 MET 31 8.854 10.573 -1.486 212 HE3 MET 31 HE3 MET 31 8.176 10.642 -3.113 213 H VAL 32 H VAL 32 8.419 13.379 -3.514 214 HA VAL 32 HA VAL 32 7.896 12.224 -0.881 215 HB VAL 32 HB VAL 32 6.665 14.863 -1.664 216 HG11 VAL 32 HG11 VAL 32 5.255 13.824 -0.132 217 HG12 VAL 32 HG12 VAL 32 6.596 13.126 0.777 218 HG13 VAL 32 HG13 VAL 32 6.264 14.855 0.881 219 HG21 VAL 32 HG21 VAL 32 8.974 14.377 0.215 220 HG22 VAL 32 HG22 VAL 32 9.074 15.161 -1.361 221 HG23 VAL 32 HG23 VAL 32 8.166 15.921 -0.054 222 H GLY 33 H GLY 33 5.668 11.608 -0.561 223 HA2 GLY 33 HA2 GLY 33 3.633 11.891 -2.457 224 HA3 GLY 33 HA3 GLY 33 4.514 10.421 -2.846 225 H ALA 34 H ALA 34 2.264 9.577 -2.404 226 HA ALA 34 HA ALA 34 2.175 8.670 0.377 227 HB1 ALA 34 HB1 ALA 34 -0.506 8.977 -0.291 228 HB2 ALA 34 HB2 ALA 34 0.423 9.957 0.844 229 HB3 ALA 34 HB3 ALA 34 0.266 10.466 -0.837 230 HA PRO 35 HA PRO 35 1.367 4.738 -1.407 231 HB2 PRO 35 HB2 PRO 35 -0.035 3.559 0.596 232 HB3 PRO 35 HB3 PRO 35 1.704 3.862 0.690 233 HG2 PRO 35 HG2 PRO 35 -0.560 5.438 1.855 234 HG3 PRO 35 HG3 PRO 35 0.991 4.995 2.592 235 HD2 PRO 35 HD2 PRO 35 0.522 7.449 1.548 236 HD3 PRO 35 HD3 PRO 35 2.128 6.691 1.522 237 H ALA 36 H ALA 36 -1.484 6.073 0.276 238 HA ALA 36 HA ALA 36 -3.327 4.666 -1.410 239 HB1 ALA 36 HB1 ALA 36 -3.651 6.784 0.695 240 HB2 ALA 36 HB2 ALA 36 -5.013 6.183 -0.251 241 HB3 ALA 36 HB3 ALA 36 -4.093 5.078 0.771 242 H CYS 37 H CYS 37 -1.602 7.604 -1.647 243 HA CYS 37 HA CYS 37 -3.484 8.816 -3.505 244 HB2 CYS 37 HB2 CYS 37 -0.785 9.744 -2.500 245 HB3 CYS 37 HB3 CYS 37 -1.820 10.668 -3.582 246 HG CYS 37 HG CYS 37 -2.396 11.962 -1.352 247 H GLY 38 H GLY 38 -0.315 7.273 -3.514 248 HA2 GLY 38 HA2 GLY 38 0.850 6.288 -5.237 249 HA3 GLY 38 HA3 GLY 38 -0.579 6.494 -6.240 250 H ALA 39 H ALA 39 0.277 9.432 -4.912 251 HA ALA 39 HA ALA 39 1.399 10.306 -7.459 252 HB1 ALA 39 HB1 ALA 39 1.023 12.581 -6.590 253 HB2 ALA 39 HB2 ALA 39 -0.444 11.601 -6.577 254 HB3 ALA 39 HB3 ALA 39 0.439 11.887 -5.078 255 H VAL 40 H VAL 40 3.359 11.402 -7.659 256 HA VAL 40 HA VAL 40 5.124 11.409 -5.312 257 HB VAL 40 HB VAL 40 6.027 10.440 -8.023 258 HG11 VAL 40 HG11 VAL 40 7.897 9.525 -6.461 259 HG12 VAL 40 HG12 VAL 40 7.919 11.220 -6.951 260 HG13 VAL 40 HG13 VAL 40 7.325 10.770 -5.352 261 HG21 VAL 40 HG21 VAL 40 4.911 8.968 -5.687 262 HG22 VAL 40 HG22 VAL 40 4.703 8.668 -7.413 263 HG23 VAL 40 HG23 VAL 40 6.213 8.226 -6.616 264 H MET 41 H MET 41 5.887 13.390 -5.028 265 HA MET 41 HA MET 41 6.061 15.195 -7.332 266 HB2 MET 41 HB2 MET 41 6.197 15.842 -4.382 267 HB3 MET 41 HB3 MET 41 6.131 17.006 -5.698 268 HG2 MET 41 HG2 MET 41 3.948 15.019 -5.551 269 HG3 MET 41 HG3 MET 41 3.990 16.267 -4.307 270 HE1 MET 41 HE1 MET 41 1.991 18.471 -5.198 271 HE2 MET 41 HE2 MET 41 3.554 18.353 -4.389 272 HE3 MET 41 HE3 MET 41 3.349 19.446 -5.759 273 H LYS 42 H LYS 42 7.992 15.064 -8.294 274 HA LYS 42 HA LYS 42 10.394 15.063 -6.587 275 HB2 LYS 42 HB2 LYS 42 10.220 14.111 -9.448 276 HB3 LYS 42 HB3 LYS 42 11.580 13.928 -8.347 277 HG2 LYS 42 HG2 LYS 42 9.936 12.581 -6.891 278 HG3 LYS 42 HG3 LYS 42 8.958 12.488 -8.357 279 HD2 LYS 42 HD2 LYS 42 10.268 10.544 -8.397 280 HD3 LYS 42 HD3 LYS 42 11.083 11.649 -9.506 281 HE2 LYS 42 HE2 LYS 42 12.931 11.695 -8.253 282 HE3 LYS 42 HE3 LYS 42 12.012 11.939 -6.769 283 HZ1 LYS 42 HZ1 LYS 42 11.481 9.383 -7.258 284 HZ2 LYS 42 HZ2 LYS 42 12.787 9.893 -6.312 285 HZ3 LYS 42 HZ3 LYS 42 13.028 9.483 -7.936 286 H LEU 43 H LEU 43 11.389 16.958 -6.530 287 HA LEU 43 HA LEU 43 11.479 18.578 -8.985 288 HB2 LEU 43 HB2 LEU 43 10.693 19.361 -6.224 289 HB3 LEU 43 HB3 LEU 43 11.578 20.528 -7.205 290 HG LEU 43 HG LEU 43 9.811 20.439 -8.900 291 HD11 LEU 43 HD11 LEU 43 8.904 18.203 -7.230 292 HD12 LEU 43 HD12 LEU 43 8.662 18.513 -8.949 293 HD13 LEU 43 HD13 LEU 43 7.632 19.305 -7.758 294 HD21 LEU 43 HD21 LEU 43 8.231 21.741 -7.736 295 HD22 LEU 43 HD22 LEU 43 9.764 22.005 -6.905 296 HD23 LEU 43 HD23 LEU 43 8.558 20.920 -6.210 297 H GLN 44 H GLN 44 13.381 19.689 -9.378 298 HA GLN 44 HA GLN 44 15.642 18.925 -7.656 299 HB2 GLN 44 HB2 GLN 44 15.262 18.973 -10.546 300 HB3 GLN 44 HB3 GLN 44 16.715 19.829 -10.047 301 HG2 GLN 44 HG2 GLN 44 17.465 17.674 -10.404 302 HG3 GLN 44 HG3 GLN 44 17.224 17.730 -8.659 303 HE21 GLN 44 HE21 GLN 44 17.176 15.529 -10.709 304 HE22 GLN 44 HE22 GLN 44 15.688 14.702 -10.416 305 H ILE 45 H ILE 45 17.262 20.459 -7.193 306 HA ILE 45 HA ILE 45 16.700 23.247 -7.870 307 HB ILE 45 HB ILE 45 17.045 23.959 -5.526 308 HG12 ILE 45 HG12 ILE 45 16.554 21.109 -4.700 309 HG13 ILE 45 HG13 ILE 45 18.190 21.704 -4.956 310 HG21 ILE 45 HG21 ILE 45 14.784 23.627 -6.543 311 HG22 ILE 45 HG22 ILE 45 14.732 22.045 -5.766 312 HG23 ILE 45 HG23 ILE 45 14.823 23.507 -4.784 313 HD11 ILE 45 HD11 ILE 45 17.540 21.788 -2.608 314 HD12 ILE 45 HD12 ILE 45 17.854 23.400 -3.253 315 HD13 ILE 45 HD13 ILE 45 16.195 22.852 -3.018 316 H LYS 46 H LYS 46 18.506 24.695 -7.334 317 HA LYS 46 HA LYS 46 21.082 23.353 -6.966 318 HB2 LYS 46 HB2 LYS 46 20.395 23.786 -9.462 319 HB3 LYS 46 HB3 LYS 46 20.846 25.446 -9.095 320 HG2 LYS 46 HG2 LYS 46 22.835 23.495 -8.240 321 HG3 LYS 46 HG3 LYS 46 22.535 23.484 -9.980 322 HD2 LYS 46 HD2 LYS 46 22.798 26.015 -9.879 323 HD3 LYS 46 HD3 LYS 46 23.447 25.774 -8.255 324 HE2 LYS 46 HE2 LYS 46 25.358 24.779 -9.018 325 HE3 LYS 46 HE3 LYS 46 24.578 24.141 -10.464 326 HZ1 LYS 46 HZ1 LYS 46 24.435 26.650 -11.083 327 HZ2 LYS 46 HZ2 LYS 46 25.869 25.792 -11.341 328 HZ3 LYS 46 HZ3 LYS 46 25.719 26.803 -9.993 329 H VAL 47 H VAL 47 21.843 24.295 -5.186 330 HA VAL 47 HA VAL 47 21.445 27.183 -4.817 331 HB VAL 47 HB VAL 47 22.424 25.206 -2.758 332 HG11 VAL 47 HG11 VAL 47 21.225 27.210 -1.402 333 HG12 VAL 47 HG12 VAL 47 22.949 27.167 -1.777 334 HG13 VAL 47 HG13 VAL 47 21.847 28.093 -2.796 335 HG21 VAL 47 HG21 VAL 47 20.357 24.401 -2.627 336 HG22 VAL 47 HG22 VAL 47 19.807 26.005 -2.141 337 HG23 VAL 47 HG23 VAL 47 19.785 25.543 -3.843 338 H ASN 48 H ASN 48 23.173 28.548 -4.315 339 HA ASN 48 HA ASN 48 25.772 27.565 -5.240 340 HB2 ASN 48 HB2 ASN 48 26.201 30.188 -5.069 341 HB3 ASN 48 HB3 ASN 48 25.398 29.469 -6.462 342 HD21 ASN 48 HD21 ASN 48 24.574 30.653 -3.218 343 HD22 ASN 48 HD22 ASN 48 23.145 31.494 -3.705 344 H ASP 49 H ASP 49 27.636 28.970 -4.143 345 HA ASP 49 HA ASP 49 27.953 27.994 -1.552 346 HB2 ASP 49 HB2 ASP 49 29.387 29.931 -3.277 347 HB3 ASP 49 HB3 ASP 49 29.705 30.045 -1.548 348 H GLU 50 H GLU 50 26.387 30.855 -2.695 349 HA GLU 50 HA GLU 50 26.470 32.292 -0.222 350 HB2 GLU 50 HB2 GLU 50 25.453 32.720 -2.900 351 HB3 GLU 50 HB3 GLU 50 24.284 33.231 -1.691 352 HG2 GLU 50 HG2 GLU 50 27.119 34.178 -2.005 353 HG3 GLU 50 HG3 GLU 50 25.640 35.102 -2.262 354 H GLY 51 H GLY 51 24.633 29.680 -1.400 355 HA2 GLY 51 HA2 GLY 51 23.103 28.396 -0.206 356 HA3 GLY 51 HA3 GLY 51 23.049 29.650 1.024 357 H ILE 52 H ILE 52 22.540 30.309 -2.373 358 HA ILE 52 HA ILE 52 19.678 30.736 -1.811 359 HB ILE 52 HB ILE 52 21.457 32.433 -3.566 360 HG12 ILE 52 HG12 ILE 52 21.840 32.889 -1.214 361 HG13 ILE 52 HG13 ILE 52 20.920 34.215 -1.918 362 HG21 ILE 52 HG21 ILE 52 18.509 32.285 -3.200 363 HG22 ILE 52 HG22 ILE 52 19.249 33.866 -3.446 364 HG23 ILE 52 HG23 ILE 52 19.453 32.600 -4.656 365 HD11 ILE 52 HD11 ILE 52 18.910 32.683 -1.015 366 HD12 ILE 52 HD12 ILE 52 20.165 32.276 0.155 367 HD13 ILE 52 HD13 ILE 52 19.679 33.956 -0.068 368 H ILE 53 H ILE 53 18.240 29.987 -3.280 369 HA ILE 53 HA ILE 53 19.032 28.019 -5.127 370 HB ILE 53 HB ILE 53 16.415 29.508 -4.907 371 HG12 ILE 53 HG12 ILE 53 17.111 28.158 -2.926 372 HG13 ILE 53 HG13 ILE 53 15.636 27.573 -3.688 373 HG21 ILE 53 HG21 ILE 53 17.129 27.046 -6.491 374 HG22 ILE 53 HG22 ILE 53 15.483 27.601 -6.194 375 HG23 ILE 53 HG23 ILE 53 16.596 28.602 -7.125 376 HD11 ILE 53 HD11 ILE 53 16.542 25.596 -4.161 377 HD12 ILE 53 HD12 ILE 53 18.052 26.316 -4.720 378 HD13 ILE 53 HD13 ILE 53 17.787 26.046 -2.997 379 H GLU 54 H GLU 54 20.080 28.350 -6.968 380 HA GLU 54 HA GLU 54 19.591 30.829 -8.463 381 HB2 GLU 54 HB2 GLU 54 21.726 30.620 -9.402 382 HB3 GLU 54 HB3 GLU 54 21.946 30.110 -7.734 383 HG2 GLU 54 HG2 GLU 54 21.814 27.766 -8.449 384 HG3 GLU 54 HG3 GLU 54 21.646 28.300 -10.121 385 H ASP 55 H ASP 55 19.235 27.396 -8.584 386 HA ASP 55 HA ASP 55 17.883 27.646 -11.163 387 HB2 ASP 55 HB2 ASP 55 20.444 26.500 -10.911 388 HB3 ASP 55 HB3 ASP 55 19.326 25.152 -11.098 389 H ALA 56 H ALA 56 16.385 25.934 -11.602 390 HA ALA 56 HA ALA 56 15.841 24.004 -9.508 391 HB1 ALA 56 HB1 ALA 56 14.682 26.314 -9.037 392 HB2 ALA 56 HB2 ALA 56 13.525 25.730 -10.234 393 HB3 ALA 56 HB3 ALA 56 13.823 24.796 -8.767 394 H ARG 57 H ARG 57 15.330 22.158 -10.471 395 HA ARG 57 HA ARG 57 14.260 22.242 -13.204 396 HB2 ARG 57 HB2 ARG 57 16.216 20.590 -11.859 397 HB3 ARG 57 HB3 ARG 57 14.950 19.600 -12.573 398 HG2 ARG 57 HG2 ARG 57 16.536 21.687 -14.055 399 HG3 ARG 57 HG3 ARG 57 16.879 19.955 -14.068 400 HD2 ARG 57 HD2 ARG 57 15.586 20.002 -15.919 401 HD3 ARG 57 HD3 ARG 57 14.279 19.911 -14.739 402 HE ARG 57 HE ARG 57 14.898 22.604 -15.154 403 HH11 ARG 57 HH11 ARG 57 13.556 19.900 -16.888 404 HH12 ARG 57 HH12 ARG 57 12.569 20.883 -17.918 405 HH21 ARG 57 HH21 ARG 57 13.602 23.909 -16.504 406 HH22 ARG 57 HH22 ARG 57 12.596 23.163 -17.699 407 H PHE 58 H PHE 58 12.695 20.539 -13.798 408 HA PHE 58 HA PHE 58 11.085 19.498 -11.602 409 HB2 PHE 58 HB2 PHE 58 10.008 21.606 -11.956 410 HB3 PHE 58 HB3 PHE 58 10.047 21.401 -13.704 411 HD1 PHE 58 HD2 PHE 58 8.792 19.515 -10.734 412 HD2 PHE 58 HD1 PHE 58 8.047 20.900 -14.689 413 HE1 PHE 58 HE2 PHE 58 6.548 18.508 -10.660 414 HE2 PHE 58 HE1 PHE 58 5.801 19.896 -14.621 415 HZ PHE 58 HZ PHE 58 5.050 18.698 -12.605 416 H LYS 59 H LYS 59 9.774 17.741 -12.166 417 HA LYS 59 HA LYS 59 10.140 16.706 -14.898 418 HB2 LYS 59 HB2 LYS 59 10.100 14.953 -12.446 419 HB3 LYS 59 HB3 LYS 59 10.546 14.507 -14.088 420 HG2 LYS 59 HG2 LYS 59 12.655 14.817 -13.476 421 HG3 LYS 59 HG3 LYS 59 12.305 16.546 -13.448 422 HD2 LYS 59 HD2 LYS 59 12.860 16.492 -11.287 423 HD3 LYS 59 HD3 LYS 59 11.339 15.638 -11.019 424 HE2 LYS 59 HE2 LYS 59 14.051 14.414 -11.508 425 HE3 LYS 59 HE3 LYS 59 13.139 14.400 -10.000 426 HZ1 LYS 59 HZ1 LYS 59 12.936 12.298 -11.155 427 HZ2 LYS 59 HZ2 LYS 59 12.330 13.073 -12.531 428 HZ3 LYS 59 HZ3 LYS 59 11.434 13.074 -11.096 429 H THR 60 H THR 60 8.488 15.243 -15.631 430 HA THR 60 HA THR 60 5.872 16.014 -14.682 431 HB THR 60 HB THR 60 6.356 15.812 -17.108 432 HG1 THR 60 HG1 THR 60 4.199 15.567 -16.316 433 HG21 THR 60 HG21 THR 60 6.899 13.838 -18.154 434 HG22 THR 60 HG22 THR 60 6.173 12.843 -16.892 435 HG23 THR 60 HG23 THR 60 7.732 13.619 -16.616 436 H TYR 61 H TYR 61 4.280 14.638 -13.875 437 HA TYR 61 HA TYR 61 4.637 11.855 -13.497 438 HB2 TYR 61 HB2 TYR 61 4.771 11.959 -10.965 439 HB3 TYR 61 HB3 TYR 61 6.248 12.374 -11.829 440 HD1 TYR 61 HD1 TYR 61 3.267 13.927 -10.221 441 HD2 TYR 61 HD2 TYR 61 7.341 14.378 -11.364 442 HE1 TYR 61 HE1 TYR 61 3.362 16.069 -9.016 443 HE2 TYR 61 HE2 TYR 61 7.447 16.520 -10.160 444 HH TYR 61 HH TYR 61 6.266 17.654 -8.310 445 H GLY 62 H GLY 62 3.045 11.200 -11.498 446 HA2 GLY 62 HA2 GLY 62 0.947 11.960 -10.428 447 HA3 GLY 62 HA3 GLY 62 0.570 12.753 -11.950 448 H CYS 63 H CYS 63 -1.427 11.581 -11.949 449 HA CYS 63 HA CYS 63 -1.135 8.959 -13.187 450 HB2 CYS 63 HB2 CYS 63 -1.769 9.117 -10.507 451 HB3 CYS 63 HB3 CYS 63 -3.349 8.997 -11.272 452 HG CYS 63 HG CYS 63 -2.150 6.486 -10.335 453 H GLY 64 H GLY 64 -1.938 11.708 -13.987 454 HA2 GLY 64 HA2 GLY 64 -4.203 10.961 -15.574 455 HA3 GLY 64 HA3 GLY 64 -4.633 12.109 -14.315 456 H SER 65 H SER 65 -3.271 14.116 -14.235 457 HA SER 65 HA SER 65 -2.217 14.885 -16.859 458 HB2 SER 65 HB2 SER 65 -4.731 15.750 -15.804 459 HB3 SER 65 HB3 SER 65 -3.633 17.130 -15.833 460 HG SER 65 HG SER 65 -4.640 15.603 -17.943 461 H ALA 66 H ALA 66 -1.318 17.249 -16.650 462 HA ALA 66 HA ALA 66 0.801 17.167 -14.807 463 HB1 ALA 66 HB1 ALA 66 0.082 19.824 -15.836 464 HB2 ALA 66 HB2 ALA 66 1.605 18.939 -15.933 465 HB3 ALA 66 HB3 ALA 66 0.301 18.576 -17.064 466 H ILE 67 H ILE 67 1.245 19.239 -13.404 467 HA ILE 67 HA ILE 67 -1.161 19.977 -11.897 468 HB ILE 67 HB ILE 67 1.393 19.108 -10.546 469 HG12 ILE 67 HG12 ILE 67 -0.464 17.268 -9.800 470 HG13 ILE 67 HG13 ILE 67 -0.956 17.570 -11.463 471 HG21 ILE 67 HG21 ILE 67 -0.948 19.015 -8.911 472 HG22 ILE 67 HG22 ILE 67 0.516 19.974 -8.702 473 HG23 ILE 67 HG23 ILE 67 -0.823 20.605 -9.662 474 HD11 ILE 67 HD11 ILE 67 1.921 17.117 -11.023 475 HD12 ILE 67 HD12 ILE 67 0.856 15.735 -10.766 476 HD13 ILE 67 HD13 ILE 67 0.864 16.565 -12.322 477 H ALA 68 H ALA 68 -1.253 22.083 -11.457 478 HA ALA 68 HA ALA 68 0.842 23.833 -12.298 479 HB1 ALA 68 HB1 ALA 68 -0.629 25.629 -11.585 480 HB2 ALA 68 HB2 ALA 68 -1.528 24.428 -12.513 481 HB3 ALA 68 HB3 ALA 68 -1.669 24.471 -10.756 482 H SER 69 H SER 69 -0.112 22.415 -9.278 483 HA SER 69 HA SER 69 1.042 24.216 -7.478 484 HB2 SER 69 HB2 SER 69 0.434 22.700 -5.916 485 HB3 SER 69 HB3 SER 69 -0.311 21.834 -7.260 486 HG SER 69 HG SER 69 1.031 20.421 -6.178 487 H SER 70 H SER 70 2.439 21.400 -9.122 488 HA SER 70 HA SER 70 4.977 21.554 -7.895 489 HB2 SER 70 HB2 SER 70 4.647 20.480 -10.673 490 HB3 SER 70 HB3 SER 70 5.623 19.856 -9.344 491 HG SER 70 HG SER 70 3.616 19.296 -8.309 492 H SER 71 H SER 71 3.848 22.677 -11.080 493 HA SER 71 HA SER 71 6.277 23.873 -11.851 494 HB2 SER 71 HB2 SER 71 3.731 23.506 -12.987 495 HB3 SER 71 HB3 SER 71 4.000 25.249 -12.980 496 HG SER 71 HG SER 71 5.184 23.309 -14.489 497 H LEU 72 H LEU 72 3.787 24.892 -9.705 498 HA LEU 72 HA LEU 72 4.447 27.696 -9.816 499 HB2 LEU 72 HB2 LEU 72 2.214 27.273 -9.281 500 HB3 LEU 72 HB3 LEU 72 2.636 26.017 -8.119 501 HG LEU 72 HG LEU 72 3.506 28.789 -7.509 502 HD11 LEU 72 HD11 LEU 72 1.143 28.942 -8.374 503 HD12 LEU 72 HD12 LEU 72 1.392 29.494 -6.717 504 HD13 LEU 72 HD13 LEU 72 0.670 27.914 -7.021 505 HD21 LEU 72 HD21 LEU 72 4.107 27.438 -5.788 506 HD22 LEU 72 HD22 LEU 72 2.805 26.287 -6.086 507 HD23 LEU 72 HD23 LEU 72 2.465 27.808 -5.259 508 H VAL 73 H VAL 73 4.858 25.082 -7.434 509 HA VAL 73 HA VAL 73 6.292 26.584 -5.543 510 HB VAL 73 HB VAL 73 7.048 24.433 -4.634 511 HG11 VAL 73 HG11 VAL 73 4.447 25.354 -4.828 512 HG12 VAL 73 HG12 VAL 73 4.322 23.639 -5.227 513 HG13 VAL 73 HG13 VAL 73 5.046 24.139 -3.698 514 HG21 VAL 73 HG21 VAL 73 5.702 23.170 -7.017 515 HG22 VAL 73 HG22 VAL 73 7.447 23.343 -6.834 516 HG23 VAL 73 HG23 VAL 73 6.537 22.342 -5.703 517 H THR 74 H THR 74 7.261 25.060 -8.509 518 HA THR 74 HA THR 74 10.061 24.997 -7.971 519 HB THR 74 HB THR 74 10.073 24.973 -10.628 520 HG1 THR 74 HG1 THR 74 8.114 25.029 -11.409 521 HG21 THR 74 HG21 THR 74 10.471 22.786 -10.343 522 HG22 THR 74 HG22 THR 74 8.855 22.494 -9.699 523 HG23 THR 74 HG23 THR 74 10.138 23.066 -8.634 524 H GLU 75 H GLU 75 8.000 27.176 -9.892 525 HA GLU 75 HA GLU 75 10.071 28.950 -10.620 526 HB2 GLU 75 HB2 GLU 75 8.260 30.502 -11.228 527 HB3 GLU 75 HB3 GLU 75 7.967 28.880 -11.841 528 HG2 GLU 75 HG2 GLU 75 6.340 28.454 -10.156 529 HG3 GLU 75 HG3 GLU 75 6.748 29.944 -9.308 530 H TRP 76 H TRP 76 8.328 28.518 -7.703 531 HA TRP 76 HA TRP 76 8.717 31.184 -6.695 532 HB2 TRP 76 HB2 TRP 76 7.337 28.780 -5.855 533 HB3 TRP 76 HB3 TRP 76 8.248 29.481 -4.521 534 HD1 TRP 76 HD1 TRP 76 4.910 29.501 -5.412 535 HE1 TRP 76 HE1 TRP 76 3.714 31.743 -5.001 536 HE3 TRP 76 HE3 TRP 76 8.999 32.550 -5.048 537 HZ2 TRP 76 HZ2 TRP 76 4.410 34.445 -4.579 538 HZ3 TRP 76 HZ3 TRP 76 8.647 34.950 -4.640 539 HH2 TRP 76 HH2 TRP 76 6.400 35.877 -4.411 540 H VAL 77 H VAL 77 10.160 27.999 -6.036 541 HA VAL 77 HA VAL 77 12.045 28.913 -4.145 542 HB VAL 77 HB VAL 77 13.251 26.782 -4.624 543 HG11 VAL 77 HG11 VAL 77 10.987 27.165 -3.237 544 HG12 VAL 77 HG12 VAL 77 10.424 25.956 -4.393 545 HG13 VAL 77 HG13 VAL 77 11.801 25.604 -3.348 546 HG21 VAL 77 HG21 VAL 77 12.703 26.676 -7.029 547 HG22 VAL 77 HG22 VAL 77 12.305 25.184 -6.177 548 HG23 VAL 77 HG23 VAL 77 11.027 26.319 -6.610 549 H LYS 78 H LYS 78 12.058 28.771 -7.635 550 HA LYS 78 HA LYS 78 14.795 29.015 -8.130 551 HB2 LYS 78 HB2 LYS 78 12.318 29.389 -9.618 552 HB3 LYS 78 HB3 LYS 78 13.574 30.510 -10.126 553 HG2 LYS 78 HG2 LYS 78 14.883 28.079 -9.948 554 HG3 LYS 78 HG3 LYS 78 13.306 27.675 -10.631 555 HD2 LYS 78 HD2 LYS 78 14.689 30.045 -11.748 556 HD3 LYS 78 HD3 LYS 78 15.378 28.464 -12.126 557 HE2 LYS 78 HE2 LYS 78 13.831 28.191 -13.695 558 HE3 LYS 78 HE3 LYS 78 12.581 28.252 -12.453 559 HZ1 LYS 78 HZ1 LYS 78 13.731 30.665 -13.741 560 HZ2 LYS 78 HZ2 LYS 78 12.376 30.587 -12.732 561 HZ3 LYS 78 HZ3 LYS 78 12.319 29.902 -14.277 562 H GLY 79 H GLY 79 15.911 30.449 -6.886 563 HA2 GLY 79 HA2 GLY 79 16.881 32.642 -6.918 564 HA3 GLY 79 HA3 GLY 79 15.309 33.290 -7.365 565 H LYS 80 H LYS 80 15.052 30.946 -4.960 566 HA LYS 80 HA LYS 80 14.831 33.044 -2.905 567 HB2 LYS 80 HB2 LYS 80 12.989 31.075 -3.751 568 HB3 LYS 80 HB3 LYS 80 13.531 30.595 -2.148 569 HG2 LYS 80 HG2 LYS 80 11.709 31.916 -1.672 570 HG3 LYS 80 HG3 LYS 80 13.043 33.062 -1.519 571 HD2 LYS 80 HD2 LYS 80 12.558 34.072 -3.578 572 HD3 LYS 80 HD3 LYS 80 11.560 32.716 -4.107 573 HE2 LYS 80 HE2 LYS 80 9.730 33.531 -3.104 574 HE3 LYS 80 HE3 LYS 80 10.615 33.966 -1.643 575 HZ1 LYS 80 HZ1 LYS 80 10.802 35.559 -4.130 576 HZ2 LYS 80 HZ2 LYS 80 11.249 36.011 -2.563 577 HZ3 LYS 80 HZ3 LYS 80 9.613 35.850 -2.963 578 H SER 81 H SER 81 15.412 32.473 -0.717 579 HA SER 81 HA SER 81 17.855 30.958 -0.632 580 HB2 SER 81 HB2 SER 81 18.044 31.740 1.656 581 HB3 SER 81 HB3 SER 81 17.532 33.084 0.635 582 HG SER 81 HG SER 81 16.379 32.469 2.777 583 H LEU 82 H LEU 82 18.128 29.557 1.481 584 HA LEU 82 HA LEU 82 16.532 27.250 1.112 585 HB2 LEU 82 HB2 LEU 82 18.250 27.826 3.510 586 HB3 LEU 82 HB3 LEU 82 17.817 26.256 2.838 587 HG LEU 82 HG LEU 82 19.567 28.252 1.411 588 HD11 LEU 82 HD11 LEU 82 21.249 27.695 2.739 589 HD12 LEU 82 HD12 LEU 82 21.034 26.002 2.294 590 HD13 LEU 82 HD13 LEU 82 20.181 26.662 3.690 591 HD21 LEU 82 HD21 LEU 82 18.590 26.713 -0.112 592 HD22 LEU 82 HD22 LEU 82 18.897 25.350 0.966 593 HD23 LEU 82 HD23 LEU 82 20.244 26.171 0.176 594 H ASP 83 H ASP 83 16.621 29.727 3.645 595 HA ASP 83 HA ASP 83 14.602 28.529 5.250 596 HB2 ASP 83 HB2 ASP 83 16.000 31.162 5.186 597 HB3 ASP 83 HB3 ASP 83 14.490 31.051 6.086 598 H GLU 84 H GLU 84 14.590 30.985 2.717 599 HA GLU 84 HA GLU 84 11.989 31.917 2.966 600 HB2 GLU 84 HB2 GLU 84 13.881 31.656 0.664 601 HB3 GLU 84 HB3 GLU 84 12.220 32.139 0.354 602 HG2 GLU 84 HG2 GLU 84 14.041 33.545 2.289 603 HG3 GLU 84 HG3 GLU 84 13.828 34.022 0.606 604 H ALA 85 H ALA 85 13.119 29.340 0.770 605 HA ALA 85 HA ALA 85 10.543 28.530 -0.034 606 HB1 ALA 85 HB1 ALA 85 11.689 26.471 -0.834 607 HB2 ALA 85 HB2 ALA 85 12.445 27.969 -1.379 608 HB3 ALA 85 HB3 ALA 85 13.166 27.047 -0.060 609 H GLN 86 H GLN 86 12.681 27.409 2.548 610 HA GLN 86 HA GLN 86 11.140 25.181 3.329 611 HB2 GLN 86 HB2 GLN 86 13.527 25.644 3.977 612 HB3 GLN 86 HB3 GLN 86 12.922 26.846 5.109 613 HG2 GLN 86 HG2 GLN 86 11.491 24.468 5.595 614 HG3 GLN 86 HG3 GLN 86 13.193 24.031 5.447 615 HE21 GLN 86 HE21 GLN 86 14.406 26.271 6.462 616 HE22 GLN 86 HE22 GLN 86 14.022 26.428 8.139 617 H ALA 87 H ALA 87 10.763 28.564 3.860 618 HA ALA 87 HA ALA 87 9.061 28.321 6.167 619 HB1 ALA 87 HB1 ALA 87 10.107 30.520 4.503 620 HB2 ALA 87 HB2 ALA 87 8.555 30.810 5.290 621 HB3 ALA 87 HB3 ALA 87 9.968 30.386 6.256 622 H ILE 88 H ILE 88 8.660 28.137 2.761 623 HA ILE 88 HA ILE 88 6.093 29.031 2.327 624 HB ILE 88 HB ILE 88 7.370 26.565 1.138 625 HG12 ILE 88 HG12 ILE 88 7.286 29.431 0.170 626 HG13 ILE 88 HG13 ILE 88 8.701 28.601 0.809 627 HG21 ILE 88 HG21 ILE 88 5.799 26.900 -0.719 628 HG22 ILE 88 HG22 ILE 88 4.968 26.560 0.798 629 HG23 ILE 88 HG23 ILE 88 5.032 28.210 0.179 630 HD11 ILE 88 HD11 ILE 88 7.247 28.052 -1.760 631 HD12 ILE 88 HD12 ILE 88 8.902 28.621 -1.544 632 HD13 ILE 88 HD13 ILE 88 8.469 26.974 -1.086 633 H LYS 89 H LYS 89 4.075 28.338 2.764 634 HA LYS 89 HA LYS 89 3.815 25.840 4.306 635 HB2 LYS 89 HB2 LYS 89 2.447 28.497 4.539 636 HB3 LYS 89 HB3 LYS 89 1.621 27.042 5.082 637 HG2 LYS 89 HG2 LYS 89 2.641 27.346 7.029 638 HG3 LYS 89 HG3 LYS 89 4.124 26.828 6.224 639 HD2 LYS 89 HD2 LYS 89 4.435 29.256 5.552 640 HD3 LYS 89 HD3 LYS 89 3.140 29.634 6.690 641 HE2 LYS 89 HE2 LYS 89 5.475 27.991 7.576 642 HE3 LYS 89 HE3 LYS 89 5.629 29.744 7.459 643 HZ1 LYS 89 HZ1 LYS 89 4.346 30.057 9.251 644 HZ2 LYS 89 HZ2 LYS 89 4.724 28.450 9.620 645 HZ3 LYS 89 HZ3 LYS 89 3.265 28.820 8.846 646 H ASN 90 H ASN 90 2.202 24.402 3.793 647 HA ASN 90 HA ASN 90 1.416 24.090 1.179 648 HB2 ASN 90 HB2 ASN 90 -0.210 22.461 1.978 649 HB3 ASN 90 HB3 ASN 90 1.282 22.320 2.903 650 HD21 ASN 90 HD21 ASN 90 -2.032 23.404 2.954 651 HD22 ASN 90 HD22 ASN 90 -2.183 23.487 4.673 652 H THR 91 H THR 91 -0.227 25.830 3.759 653 HA THR 91 HA THR 91 -2.711 26.253 2.643 654 HB THR 91 HB THR 91 -2.192 27.000 4.897 655 HG1 THR 91 HG1 THR 91 -3.594 28.601 4.745 656 HG21 THR 91 HG21 THR 91 -0.821 29.463 4.018 657 HG22 THR 91 HG22 THR 91 0.122 27.976 3.912 658 HG23 THR 91 HG23 THR 91 -0.568 28.476 5.456 659 H ASP 92 H ASP 92 0.316 27.937 1.977 660 HA ASP 92 HA ASP 92 -0.818 29.947 0.321 661 HB2 ASP 92 HB2 ASP 92 1.680 29.459 1.413 662 HB3 ASP 92 HB3 ASP 92 1.943 29.248 -0.315 663 H ILE 93 H ILE 93 0.574 26.766 -0.303 664 HA ILE 93 HA ILE 93 0.450 27.001 -3.150 665 HB ILE 93 HB ILE 93 0.741 24.569 -1.385 666 HG12 ILE 93 HG12 ILE 93 3.113 24.760 -2.504 667 HG13 ILE 93 HG13 ILE 93 2.650 26.442 -2.734 668 HG21 ILE 93 HG21 ILE 93 0.145 23.447 -3.235 669 HG22 ILE 93 HG22 ILE 93 0.382 24.847 -4.279 670 HG23 ILE 93 HG23 ILE 93 1.763 23.859 -3.803 671 HD11 ILE 93 HD11 ILE 93 2.981 26.936 -0.589 672 HD12 ILE 93 HD12 ILE 93 2.183 25.466 -0.029 673 HD13 ILE 93 HD13 ILE 93 3.874 25.417 -0.526 674 H ALA 94 H ALA 94 -1.767 26.059 -0.665 675 HA ALA 94 HA ALA 94 -3.549 24.581 -2.346 676 HB1 ALA 94 HB1 ALA 94 -4.788 25.734 0.008 677 HB2 ALA 94 HB2 ALA 94 -4.543 24.042 -0.428 678 HB3 ALA 94 HB3 ALA 94 -3.258 24.939 0.382 679 H GLU 95 H GLU 95 -3.575 27.870 -0.990 680 HA GLU 95 HA GLU 95 -5.976 28.587 -2.400 681 HB2 GLU 95 HB2 GLU 95 -5.645 30.799 -1.461 682 HB3 GLU 95 HB3 GLU 95 -5.393 29.583 -0.217 683 HG2 GLU 95 HG2 GLU 95 -3.473 30.576 0.243 684 HG3 GLU 95 HG3 GLU 95 -2.875 29.994 -1.310 685 H GLU 96 H GLU 96 -2.574 28.710 -3.012 686 HA GLU 96 HA GLU 96 -2.332 30.774 -4.825 687 HB2 GLU 96 HB2 GLU 96 -0.876 28.321 -4.218 688 HB3 GLU 96 HB3 GLU 96 -0.748 28.777 -5.911 689 HG2 GLU 96 HG2 GLU 96 -0.101 30.562 -3.577 690 HG3 GLU 96 HG3 GLU 96 1.076 29.682 -4.549 691 H LEU 97 H LEU 97 -3.369 27.436 -5.440 692 HA LEU 97 HA LEU 97 -4.394 28.330 -8.055 693 HB2 LEU 97 HB2 LEU 97 -3.495 25.547 -7.334 694 HB3 LEU 97 HB3 LEU 97 -4.011 26.117 -8.920 695 HG LEU 97 HG LEU 97 -1.666 27.461 -7.699 696 HD11 LEU 97 HD11 LEU 97 -0.213 25.630 -8.667 697 HD12 LEU 97 HD12 LEU 97 -1.657 24.618 -8.675 698 HD13 LEU 97 HD13 LEU 97 -1.037 25.255 -7.153 699 HD21 LEU 97 HD21 LEU 97 -0.931 27.132 -10.146 700 HD22 LEU 97 HD22 LEU 97 -2.229 28.277 -9.803 701 HD23 LEU 97 HD23 LEU 97 -2.610 26.673 -10.432 702 H GLU 98 H GLU 98 -5.331 27.561 -5.043 703 HA GLU 98 HA GLU 98 -7.237 26.781 -4.064 704 HB2 GLU 98 HB2 GLU 98 -8.301 27.748 -6.717 705 HB3 GLU 98 HB3 GLU 98 -9.341 27.212 -5.405 706 HG2 GLU 98 HG2 GLU 98 -7.925 28.978 -4.043 707 HG3 GLU 98 HG3 GLU 98 -7.703 29.670 -5.648 708 H LEU 99 H LEU 99 -5.965 24.642 -4.557 709 HA LEU 99 HA LEU 99 -6.729 22.836 -6.496 710 HB2 LEU 99 HB2 LEU 99 -5.450 22.725 -3.893 711 HB3 LEU 99 HB3 LEU 99 -6.393 21.275 -4.234 712 HG LEU 99 HG LEU 99 -5.108 21.023 -6.357 713 HD11 LEU 99 HD11 LEU 99 -2.971 22.792 -5.382 714 HD12 LEU 99 HD12 LEU 99 -4.397 23.605 -6.025 715 HD13 LEU 99 HD13 LEU 99 -3.511 22.456 -7.027 716 HD21 LEU 99 HD21 LEU 99 -2.898 20.976 -4.525 717 HD22 LEU 99 HD22 LEU 99 -3.816 19.633 -5.206 718 HD23 LEU 99 HD23 LEU 99 -4.366 20.417 -3.724 719 HA PRO 100 HA PRO 100 -10.860 21.603 -5.668 720 HB2 PRO 100 HB2 PRO 100 -10.787 18.982 -6.374 721 HB3 PRO 100 HB3 PRO 100 -10.725 20.297 -7.554 722 HG2 PRO 100 HG2 PRO 100 -8.488 18.661 -6.420 723 HG3 PRO 100 HG3 PRO 100 -8.763 19.172 -8.096 724 HD2 PRO 100 HD2 PRO 100 -7.012 20.431 -6.458 725 HD3 PRO 100 HD3 PRO 100 -7.919 21.284 -7.724 726 HA PRO 101 HA PRO 101 -11.119 19.849 -1.635 727 HB2 PRO 101 HB2 PRO 101 -13.692 18.981 -1.661 728 HB3 PRO 101 HB3 PRO 101 -13.256 20.691 -1.556 729 HG2 PRO 101 HG2 PRO 101 -14.112 19.097 -3.941 730 HG3 PRO 101 HG3 PRO 101 -14.600 20.731 -3.453 731 HD2 PRO 101 HD2 PRO 101 -12.745 20.277 -5.373 732 HD3 PRO 101 HD3 PRO 101 -12.686 21.692 -4.303 733 H VAL 102 H VAL 102 -11.317 17.994 -4.459 734 HA VAL 102 HA VAL 102 -12.085 15.475 -3.594 735 HB VAL 102 HB VAL 102 -9.954 16.169 -5.620 736 HG11 VAL 102 HG11 VAL 102 -11.030 13.603 -4.674 737 HG12 VAL 102 HG12 VAL 102 -10.979 13.797 -6.427 738 HG13 VAL 102 HG13 VAL 102 -9.503 13.969 -5.475 739 HG21 VAL 102 HG21 VAL 102 -12.707 16.625 -5.663 740 HG22 VAL 102 HG22 VAL 102 -11.594 16.695 -7.029 741 HG23 VAL 102 HG23 VAL 102 -12.456 15.199 -6.670 742 H LYS 103 H LYS 103 -8.731 16.674 -3.850 743 HA LYS 103 HA LYS 103 -8.042 15.171 -1.444 744 HB2 LYS 103 HB2 LYS 103 -7.610 13.748 -3.507 745 HB3 LYS 103 HB3 LYS 103 -6.373 14.918 -3.944 746 HG2 LYS 103 HG2 LYS 103 -5.022 13.525 -2.824 747 HG3 LYS 103 HG3 LYS 103 -5.645 14.372 -1.406 748 HD2 LYS 103 HD2 LYS 103 -6.073 12.246 -0.730 749 HD3 LYS 103 HD3 LYS 103 -7.552 12.518 -1.656 750 HE2 LYS 103 HE2 LYS 103 -6.771 11.282 -3.482 751 HE3 LYS 103 HE3 LYS 103 -5.095 11.374 -2.942 752 HZ1 LYS 103 HZ1 LYS 103 -6.312 9.184 -2.620 753 HZ2 LYS 103 HZ2 LYS 103 -7.151 9.949 -1.367 754 HZ3 LYS 103 HZ3 LYS 103 -5.468 9.795 -1.286 755 H ILE 104 H ILE 104 -8.050 17.462 -0.743 756 HA ILE 104 HA ILE 104 -6.395 19.459 -1.669 757 HB ILE 104 HB ILE 104 -7.034 18.857 1.221 758 HG12 ILE 104 HG12 ILE 104 -9.026 19.093 -0.235 759 HG13 ILE 104 HG13 ILE 104 -8.897 20.397 0.940 760 HG21 ILE 104 HG21 ILE 104 -5.846 21.238 -0.151 761 HG22 ILE 104 HG22 ILE 104 -6.757 21.419 1.347 762 HG23 ILE 104 HG23 ILE 104 -5.310 20.412 1.312 763 HD11 ILE 104 HD11 ILE 104 -9.582 21.134 -1.319 764 HD12 ILE 104 HD12 ILE 104 -8.106 21.906 -0.739 765 HD13 ILE 104 HD13 ILE 104 -8.013 20.605 -1.926 766 H HIS 105 H HIS 105 -5.553 16.570 0.053 767 HA HIS 105 HA HIS 105 -3.098 17.256 1.155 768 HB2 HIS 105 HB2 HIS 105 -4.540 14.849 0.600 769 HB3 HIS 105 HB3 HIS 105 -2.865 14.626 0.105 770 HD1 HIS 105 HD1 HIS 105 -1.553 16.329 2.377 771 HD2 HIS 105 HD2 HIS 105 -4.465 13.420 2.938 772 HE1 HIS 105 HE1 HIS 105 -1.294 15.570 4.760 773 H CYS 106 H CYS 106 -3.999 16.884 -2.146 774 HA CYS 106 HA CYS 106 -1.537 16.239 -3.308 775 HB2 CYS 106 HB2 CYS 106 -4.052 17.519 -4.240 776 HB3 CYS 106 HB3 CYS 106 -2.624 17.741 -5.244 777 HG CYS 106 HG CYS 106 -2.185 14.886 -5.357 778 H SER 107 H SER 107 -2.639 19.141 -1.837 779 HA SER 107 HA SER 107 -0.609 20.790 -3.115 780 HB2 SER 107 HB2 SER 107 -1.800 22.595 -2.398 781 HB3 SER 107 HB3 SER 107 -3.094 21.406 -2.247 782 HG SER 107 HG SER 107 -2.985 22.464 -0.314 783 H ILE 108 H ILE 108 -1.203 19.136 -0.104 784 HA ILE 108 HA ILE 108 0.723 20.444 1.486 785 HB ILE 108 HB ILE 108 -0.117 17.562 1.764 786 HG12 ILE 108 HG12 ILE 108 -2.124 18.919 1.571 787 HG13 ILE 108 HG13 ILE 108 -1.916 18.414 3.244 788 HG21 ILE 108 HG21 ILE 108 1.151 19.585 3.559 789 HG22 ILE 108 HG22 ILE 108 0.168 18.291 4.244 790 HG23 ILE 108 HG23 ILE 108 1.592 17.901 3.279 791 HD11 ILE 108 HD11 ILE 108 -1.683 21.114 2.033 792 HD12 ILE 108 HD12 ILE 108 -2.468 20.605 3.528 793 HD13 ILE 108 HD13 ILE 108 -0.711 20.733 3.454 794 H LEU 109 H LEU 109 0.959 17.933 -0.912 795 HA LEU 109 HA LEU 109 3.594 17.079 -0.160 796 HB2 LEU 109 HB2 LEU 109 2.037 16.647 -2.705 797 HB3 LEU 109 HB3 LEU 109 3.547 15.841 -2.285 798 HG LEU 109 HG LEU 109 0.852 15.495 -0.986 799 HD11 LEU 109 HD11 LEU 109 1.574 13.049 -1.578 800 HD12 LEU 109 HD12 LEU 109 2.603 13.861 -2.757 801 HD13 LEU 109 HD13 LEU 109 0.856 14.096 -2.802 802 HD21 LEU 109 HD21 LEU 109 3.556 15.012 0.060 803 HD22 LEU 109 HD22 LEU 109 2.443 13.650 0.196 804 HD23 LEU 109 HD23 LEU 109 2.024 15.208 0.911 805 H ALA 110 H ALA 110 2.278 19.634 -2.032 806 HA ALA 110 HA ALA 110 4.434 20.077 -3.810 807 HB1 ALA 110 HB1 ALA 110 3.235 21.833 -4.552 808 HB2 ALA 110 HB2 ALA 110 1.952 21.106 -3.585 809 HB3 ALA 110 HB3 ALA 110 2.907 22.434 -2.926 810 H GLU 111 H GLU 111 3.628 21.488 -0.646 811 HA GLU 111 HA GLU 111 5.975 23.117 -0.558 812 HB2 GLU 111 HB2 GLU 111 5.325 23.464 1.831 813 HB3 GLU 111 HB3 GLU 111 4.051 23.838 0.678 814 HG2 GLU 111 HG2 GLU 111 2.691 22.277 1.499 815 HG3 GLU 111 HG3 GLU 111 3.981 21.082 1.620 816 H ASP 112 H ASP 112 5.250 19.849 0.238 817 HA ASP 112 HA ASP 112 7.476 19.503 2.041 818 HB2 ASP 112 HB2 ASP 112 5.352 17.741 0.903 819 HB3 ASP 112 HB3 ASP 112 6.815 16.987 1.532 820 H ALA 113 H ALA 113 6.690 18.539 -1.285 821 HA ALA 113 HA ALA 113 8.952 17.081 -1.902 822 HB1 ALA 113 HB1 ALA 113 7.704 18.970 -3.872 823 HB2 ALA 113 HB2 ALA 113 8.416 17.382 -4.161 824 HB3 ALA 113 HB3 ALA 113 6.871 17.516 -3.321 825 H ILE 114 H ILE 114 8.484 20.594 -2.101 826 HA ILE 114 HA ILE 114 11.023 21.193 -3.172 827 HB ILE 114 HB ILE 114 10.621 23.496 -2.364 828 HG12 ILE 114 HG12 ILE 114 8.186 22.236 -1.086 829 HG13 ILE 114 HG13 ILE 114 9.521 23.030 -0.257 830 HG21 ILE 114 HG21 ILE 114 8.068 22.464 -3.547 831 HG22 ILE 114 HG22 ILE 114 8.918 23.971 -3.883 832 HG23 ILE 114 HG23 ILE 114 9.576 22.440 -4.461 833 HD11 ILE 114 HD11 ILE 114 7.262 24.212 -1.782 834 HD12 ILE 114 HD12 ILE 114 7.943 24.677 -0.223 835 HD13 ILE 114 HD13 ILE 114 8.795 25.079 -1.714 836 H LYS 115 H LYS 115 9.849 20.874 0.136 837 HA LYS 115 HA LYS 115 12.127 21.877 1.448 838 HB2 LYS 115 HB2 LYS 115 10.033 19.889 2.329 839 HB3 LYS 115 HB3 LYS 115 11.282 20.514 3.397 840 HG2 LYS 115 HG2 LYS 115 9.713 22.545 1.960 841 HG3 LYS 115 HG3 LYS 115 8.826 21.588 3.148 842 HD2 LYS 115 HD2 LYS 115 11.441 22.958 3.750 843 HD3 LYS 115 HD3 LYS 115 9.869 23.716 4.014 844 HE2 LYS 115 HE2 LYS 115 10.705 21.081 5.216 845 HE3 LYS 115 HE3 LYS 115 10.852 22.633 6.039 846 HZ1 LYS 115 HZ1 LYS 115 8.833 21.976 6.803 847 HZ2 LYS 115 HZ2 LYS 115 8.456 21.077 5.421 848 HZ3 LYS 115 HZ3 LYS 115 8.319 22.763 5.396 849 H ALA 116 H ALA 116 11.225 18.572 0.518 850 HA ALA 116 HA ALA 116 13.311 17.164 1.645 851 HB1 ALA 116 HB1 ALA 116 12.999 15.563 -0.279 852 HB2 ALA 116 HB2 ALA 116 11.543 15.958 0.635 853 HB3 ALA 116 HB3 ALA 116 11.829 16.710 -0.933 854 H ALA 117 H ALA 117 13.328 19.248 -1.147 855 HA ALA 117 HA ALA 117 15.851 18.353 -2.168 856 HB1 ALA 117 HB1 ALA 117 13.792 19.865 -3.169 857 HB2 ALA 117 HB2 ALA 117 15.063 21.061 -2.910 858 HB3 ALA 117 HB3 ALA 117 15.373 19.651 -3.923 859 H ILE 118 H ILE 118 14.768 21.044 -0.143 860 HA ILE 118 HA ILE 118 17.179 22.446 0.010 861 HB ILE 118 HB ILE 118 15.012 22.191 2.097 862 HG12 ILE 118 HG12 ILE 118 15.516 24.274 -0.040 863 HG13 ILE 118 HG13 ILE 118 14.213 23.090 -0.035 864 HG21 ILE 118 HG21 ILE 118 15.916 24.294 3.004 865 HG22 ILE 118 HG22 ILE 118 17.068 22.964 3.115 866 HG23 ILE 118 HG23 ILE 118 17.257 24.190 1.862 867 HD11 ILE 118 HD11 ILE 118 12.990 24.696 0.893 868 HD12 ILE 118 HD12 ILE 118 13.891 24.363 2.372 869 HD13 ILE 118 HD13 ILE 118 14.408 25.662 1.298 870 H ALA 119 H ALA 119 16.013 19.664 1.821 871 HA ALA 119 HA ALA 119 18.092 19.661 3.760 872 HB1 ALA 119 HB1 ALA 119 15.882 18.522 4.012 873 HB2 ALA 119 HB2 ALA 119 16.444 17.302 2.869 874 HB3 ALA 119 HB3 ALA 119 17.274 17.515 4.410 875 H ASP 120 H ASP 120 17.576 17.812 0.765 876 HA ASP 120 HA ASP 120 19.815 16.195 0.836 877 HB2 ASP 120 HB2 ASP 120 17.820 16.723 -0.999 878 HB3 ASP 120 HB3 ASP 120 19.276 17.254 -1.837 879 H TYR 121 H TYR 121 19.558 19.585 0.007 880 HA TYR 121 HA TYR 121 22.111 19.872 -1.178 881 HB2 TYR 121 HB2 TYR 121 20.490 21.576 -1.582 882 HB3 TYR 121 HB3 TYR 121 20.249 21.849 0.140 883 HD1 TYR 121 HD1 TYR 121 23.376 21.609 -1.885 884 HD2 TYR 121 HD2 TYR 121 20.896 24.029 0.584 885 HE1 TYR 121 HE1 TYR 121 25.073 23.389 -1.937 886 HE2 TYR 121 HE2 TYR 121 22.585 25.817 0.538 887 HH TYR 121 HH TYR 121 25.696 25.364 -1.096 888 H LYS 122 H LYS 122 20.955 20.676 2.097 889 HA LYS 122 HA LYS 122 23.407 21.465 3.161 890 HB2 LYS 122 HB2 LYS 122 21.197 20.064 4.671 891 HB3 LYS 122 HB3 LYS 122 22.412 21.147 5.336 892 HG2 LYS 122 HG2 LYS 122 21.440 22.953 3.879 893 HG3 LYS 122 HG3 LYS 122 20.116 21.841 3.526 894 HD2 LYS 122 HD2 LYS 122 20.569 21.939 6.355 895 HD3 LYS 122 HD3 LYS 122 20.379 23.578 5.727 896 HE2 LYS 122 HE2 LYS 122 18.232 23.177 4.968 897 HE3 LYS 122 HE3 LYS 122 18.477 21.433 4.884 898 HZ1 LYS 122 HZ1 LYS 122 17.723 23.095 7.154 899 HZ2 LYS 122 HZ2 LYS 122 18.764 21.803 7.481 900 HZ3 LYS 122 HZ3 LYS 122 17.258 21.515 6.766 901 H SER 123 H SER 123 22.209 18.323 2.407 902 HA SER 123 HA SER 123 24.073 16.924 4.116 903 HB2 SER 123 HB2 SER 123 21.910 15.901 3.672 904 HB3 SER 123 HB3 SER 123 22.221 15.928 1.937 905 HG SER 123 HG SER 123 22.670 13.916 3.296 906 H LYS 124 H LYS 124 24.056 18.250 0.959 907 HA LYS 124 HA LYS 124 26.025 16.544 -0.206 908 HB2 LYS 124 HB2 LYS 124 24.309 18.440 -1.177 909 HB3 LYS 124 HB3 LYS 124 25.845 19.294 -1.237 910 HG2 LYS 124 HG2 LYS 124 25.806 18.323 -3.305 911 HG3 LYS 124 HG3 LYS 124 26.684 17.100 -2.384 912 HD2 LYS 124 HD2 LYS 124 24.178 16.240 -1.976 913 HD3 LYS 124 HD3 LYS 124 23.961 17.022 -3.544 914 HE2 LYS 124 HE2 LYS 124 26.155 15.038 -2.991 915 HE3 LYS 124 HE3 LYS 124 24.566 14.565 -3.589 916 HZ1 LYS 124 HZ1 LYS 124 26.399 14.950 -5.288 917 HZ2 LYS 124 HZ2 LYS 124 26.193 16.600 -4.982 918 HZ3 LYS 124 HZ3 LYS 124 24.905 15.685 -5.587 919 H ARG 125 H ARG 125 26.106 19.445 1.736 920 HA ARG 125 HA ARG 125 29.010 19.651 1.388 921 HB2 ARG 125 HB2 ARG 125 28.774 21.818 2.574 922 HB3 ARG 125 HB3 ARG 125 27.824 21.734 1.097 923 HG2 ARG 125 HG2 ARG 125 26.046 22.349 2.259 924 HG3 ARG 125 HG3 ARG 125 26.145 20.833 3.157 925 HD2 ARG 125 HD2 ARG 125 27.382 21.811 4.890 926 HD3 ARG 125 HD3 ARG 125 27.806 23.215 3.912 927 HE ARG 125 HE ARG 125 25.401 22.827 5.440 928 HH11 ARG 125 HH11 ARG 125 26.855 24.504 2.758 929 HH12 ARG 125 HH12 ARG 125 25.731 25.822 2.805 930 HH21 ARG 125 HH21 ARG 125 23.916 24.556 5.512 931 HH22 ARG 125 HH22 ARG 125 24.061 25.851 4.372 932 H GLU 126 H GLU 126 26.843 18.139 3.365 933 HA GLU 126 HA GLU 126 28.326 18.523 5.841 934 HB2 GLU 126 HB2 GLU 126 25.670 17.595 5.112 935 HB3 GLU 126 HB3 GLU 126 26.445 16.514 6.260 936 HG2 GLU 126 HG2 GLU 126 26.871 19.198 7.104 937 HG3 GLU 126 HG3 GLU 126 25.157 18.971 6.759 938 H ALA 127 H ALA 127 28.021 16.245 3.251 939 HA ALA 127 HA ALA 127 30.086 14.587 4.508 940 HB1 ALA 127 HB1 ALA 127 28.001 13.440 4.962 941 HB2 ALA 127 HB2 ALA 127 27.568 13.501 3.253 942 HB3 ALA 127 HB3 ALA 127 28.945 12.534 3.780 943 H LYS 128 H LYS 128 31.695 15.189 3.137 944 HA LYS 128 HA LYS 128 31.633 14.098 0.477 945 HB2 LYS 128 HB2 LYS 128 30.545 16.260 0.087 946 HB3 LYS 128 HB3 LYS 128 31.901 17.088 0.843 947 HG2 LYS 128 HG2 LYS 128 32.810 15.370 -1.282 948 HG3 LYS 128 HG3 LYS 128 31.575 16.492 -1.857 949 HD2 LYS 128 HD2 LYS 128 32.848 18.352 -1.366 950 HD3 LYS 128 HD3 LYS 128 33.793 17.510 -0.136 951 HE2 LYS 128 HE2 LYS 128 35.243 16.635 -1.656 952 HE3 LYS 128 HE3 LYS 128 34.023 16.535 -2.925 953 HZ1 LYS 128 HZ1 LYS 128 35.336 18.226 -3.689 954 HZ2 LYS 128 HZ2 LYS 128 35.708 18.808 -2.145 955 HZ3 LYS 128 HZ3 LYS 128 34.188 19.115 -2.822 Start of MODEL 11 1 H1 MET 1 H MET 1 -13.793 1.185 -44.907 2 HA MET 1 HA MET 1 -11.938 0.070 -44.211 3 HB2 MET 1 HB2 MET 1 -10.621 2.592 -45.215 4 HB3 MET 1 HB3 MET 1 -9.711 1.213 -44.613 5 HG2 MET 1 HG2 MET 1 -10.024 0.030 -46.482 6 HG3 MET 1 HG3 MET 1 -11.703 0.539 -46.643 7 HE1 MET 1 HE1 MET 1 -11.667 3.873 -47.451 8 HE2 MET 1 HE2 MET 1 -11.894 3.143 -49.041 9 HE3 MET 1 HE3 MET 1 -12.567 2.364 -47.607 10 H ALA 2 H ALA 2 -11.803 3.484 -43.219 11 HA ALA 2 HA ALA 2 -11.475 4.467 -41.192 12 HB1 ALA 2 HB1 ALA 2 -12.311 3.417 -39.266 13 HB2 ALA 2 HB2 ALA 2 -13.287 2.784 -40.592 14 HB3 ALA 2 HB3 ALA 2 -11.992 1.804 -39.904 15 H TYR 3 H TYR 3 -10.081 4.363 -39.173 16 HA TYR 3 HA TYR 3 -8.022 4.180 -38.225 17 HB2 TYR 3 HB2 TYR 3 -7.830 1.535 -39.675 18 HB3 TYR 3 HB3 TYR 3 -6.922 2.031 -38.251 19 HD1 TYR 3 HD1 TYR 3 -8.893 3.115 -36.460 20 HD2 TYR 3 HD2 TYR 3 -9.224 -0.212 -39.091 21 HE1 TYR 3 HE1 TYR 3 -10.631 2.150 -35.012 22 HE2 TYR 3 HE2 TYR 3 -10.964 -1.186 -37.651 23 HH TYR 3 HH TYR 3 -12.724 -0.072 -35.881 24 H SER 4 H SER 4 -7.929 5.861 -40.210 25 HA SER 4 HA SER 4 -6.231 5.215 -42.379 26 HB2 SER 4 HB2 SER 4 -6.016 7.720 -42.602 27 HB3 SER 4 HB3 SER 4 -7.674 7.121 -42.582 28 HG SER 4 HG SER 4 -6.703 8.965 -41.053 29 H GLU 5 H GLU 5 -5.614 6.955 -39.334 30 HA GLU 5 HA GLU 5 -2.752 6.907 -39.842 31 HB2 GLU 5 HB2 GLU 5 -4.152 7.931 -37.374 32 HB3 GLU 5 HB3 GLU 5 -2.534 8.329 -37.935 33 HG2 GLU 5 HG2 GLU 5 -5.128 9.109 -39.246 34 HG3 GLU 5 HG3 GLU 5 -4.036 10.166 -38.352 35 H LYS 6 H LYS 6 -1.483 6.492 -37.611 36 HA LYS 6 HA LYS 6 -2.042 3.700 -36.988 37 HB2 LYS 6 HB2 LYS 6 0.269 4.743 -37.633 38 HB3 LYS 6 HB3 LYS 6 0.323 5.214 -35.940 39 HG2 LYS 6 HG2 LYS 6 0.337 2.990 -35.205 40 HG3 LYS 6 HG3 LYS 6 -0.189 2.379 -36.775 41 HD2 LYS 6 HD2 LYS 6 2.119 1.881 -36.613 42 HD3 LYS 6 HD3 LYS 6 1.992 3.263 -37.704 43 HE2 LYS 6 HE2 LYS 6 2.290 3.973 -34.876 44 HE3 LYS 6 HE3 LYS 6 3.666 3.105 -35.555 45 HZ1 LYS 6 HZ1 LYS 6 3.588 5.657 -35.724 46 HZ2 LYS 6 HZ2 LYS 6 2.505 5.396 -36.997 47 HZ3 LYS 6 HZ3 LYS 6 4.073 4.768 -37.079 48 H VAL 7 H VAL 7 -2.630 2.946 -35.022 49 HA VAL 7 HA VAL 7 -3.565 4.875 -33.080 50 HB VAL 7 HB VAL 7 -3.643 1.863 -32.882 51 HG11 VAL 7 HG11 VAL 7 -4.177 3.744 -30.970 52 HG12 VAL 7 HG12 VAL 7 -5.772 3.457 -31.668 53 HG13 VAL 7 HG13 VAL 7 -4.842 2.111 -31.007 54 HG21 VAL 7 HG21 VAL 7 -5.544 3.793 -34.190 55 HG22 VAL 7 HG22 VAL 7 -4.773 2.372 -34.894 56 HG23 VAL 7 HG23 VAL 7 -6.031 2.179 -33.673 57 H ILE 8 H ILE 8 -2.063 5.747 -31.792 58 HA ILE 8 HA ILE 8 -0.575 4.018 -30.020 59 HB ILE 8 HB ILE 8 0.928 4.207 -31.984 60 HG12 ILE 8 HG12 ILE 8 2.914 5.113 -30.664 61 HG13 ILE 8 HG13 ILE 8 1.766 5.489 -29.384 62 HG21 ILE 8 HG21 ILE 8 0.163 6.486 -32.644 63 HG22 ILE 8 HG22 ILE 8 1.090 7.134 -31.292 64 HG23 ILE 8 HG23 ILE 8 1.916 6.296 -32.607 65 HD11 ILE 8 HD11 ILE 8 1.247 2.843 -30.025 66 HD12 ILE 8 HD12 ILE 8 3.005 2.982 -30.072 67 HD13 ILE 8 HD13 ILE 8 2.122 3.444 -28.618 68 H ASP 9 H ASP 9 -0.299 4.937 -28.068 69 HA ASP 9 HA ASP 9 -0.943 7.802 -27.824 70 HB2 ASP 9 HB2 ASP 9 -2.529 6.092 -26.781 71 HB3 ASP 9 HB3 ASP 9 -1.240 5.756 -25.628 72 H HIS 10 H HIS 10 0.404 9.125 -26.702 73 HA HIS 10 HA HIS 10 2.723 7.917 -25.363 74 HB2 HIS 10 HB2 HIS 10 2.847 9.223 -27.826 75 HB3 HIS 10 HB3 HIS 10 3.396 10.425 -26.662 76 HD1 HIS 10 HD1 HIS 10 5.120 8.764 -28.855 77 HD2 HIS 10 HD2 HIS 10 5.049 8.226 -24.736 78 HE1 HIS 10 HE1 HIS 10 7.300 7.648 -28.284 79 H TYR 11 H TYR 11 4.001 9.831 -24.238 80 HA TYR 11 HA TYR 11 2.011 11.206 -22.587 81 HB2 TYR 11 HB2 TYR 11 4.870 10.393 -22.163 82 HB3 TYR 11 HB3 TYR 11 4.147 11.644 -21.158 83 HD1 TYR 11 HD1 TYR 11 3.559 8.145 -22.311 84 HD2 TYR 11 HD2 TYR 11 2.981 11.036 -19.244 85 HE1 TYR 11 HE1 TYR 11 2.582 6.409 -20.868 86 HE2 TYR 11 HE2 TYR 11 2.004 9.308 -17.792 87 HH TYR 11 HH TYR 11 2.261 6.017 -18.419 88 H GLU 12 H GLU 12 2.814 12.128 -25.272 89 HA GLU 12 HA GLU 12 3.087 14.152 -26.288 90 HB2 GLU 12 HB2 GLU 12 3.555 15.433 -23.609 91 HB3 GLU 12 HB3 GLU 12 2.881 16.151 -25.066 92 HG2 GLU 12 HG2 GLU 12 1.078 14.192 -24.578 93 HG3 GLU 12 HG3 GLU 12 1.578 14.609 -22.941 94 H ASN 13 H ASN 13 5.195 14.452 -23.429 95 HA ASN 13 HA ASN 13 7.459 14.883 -25.251 96 HB2 ASN 13 HB2 ASN 13 6.689 15.993 -22.638 97 HB3 ASN 13 HB3 ASN 13 8.392 15.560 -22.767 98 HD21 ASN 13 HD21 ASN 13 8.754 17.851 -22.535 99 HD22 ASN 13 HD22 ASN 13 8.646 18.874 -23.923 100 HA PRO 14 HA PRO 14 9.510 11.196 -24.051 101 HB2 PRO 14 HB2 PRO 14 12.099 11.994 -23.872 102 HB3 PRO 14 HB3 PRO 14 11.249 11.830 -25.413 103 HG2 PRO 14 HG2 PRO 14 11.787 14.294 -23.800 104 HG3 PRO 14 HG3 PRO 14 11.914 14.054 -25.552 105 HD2 PRO 14 HD2 PRO 14 9.787 15.270 -24.399 106 HD3 PRO 14 HD3 PRO 14 9.645 14.297 -25.877 107 H ARG 15 H ARG 15 11.501 10.546 -22.470 108 HA ARG 15 HA ARG 15 10.550 11.286 -19.818 109 HB2 ARG 15 HB2 ARG 15 12.478 9.138 -20.717 110 HB3 ARG 15 HB3 ARG 15 11.965 9.392 -19.054 111 HG2 ARG 15 HG2 ARG 15 9.600 9.027 -19.860 112 HG3 ARG 15 HG3 ARG 15 10.304 8.484 -21.385 113 HD2 ARG 15 HD2 ARG 15 9.846 6.572 -19.989 114 HD3 ARG 15 HD3 ARG 15 11.590 6.780 -20.143 115 HE ARG 15 HE ARG 15 10.833 8.123 -17.845 116 HH11 ARG 15 HH11 ARG 15 10.776 4.858 -19.050 117 HH12 ARG 15 HH12 ARG 15 10.919 4.137 -17.481 118 HH21 ARG 15 HH21 ARG 15 11.021 7.187 -15.773 119 HH22 ARG 15 HH22 ARG 15 11.057 5.463 -15.618 120 H ASN 16 H ASN 16 13.287 11.738 -21.895 121 HA ASN 16 HA ASN 16 15.010 12.664 -19.756 122 HB2 ASN 16 HB2 ASN 16 15.689 11.425 -21.965 123 HB3 ASN 16 HB3 ASN 16 15.630 13.040 -22.664 124 HD21 ASN 16 HD21 ASN 16 17.967 12.091 -22.901 125 HD22 ASN 16 HD22 ASN 16 19.079 12.639 -21.697 126 H VAL 17 H VAL 17 13.737 14.416 -18.979 127 HA VAL 17 HA VAL 17 14.367 16.909 -20.222 128 HB VAL 17 HB VAL 17 12.395 16.243 -21.570 129 HG11 VAL 17 HG11 VAL 17 10.588 16.702 -19.264 130 HG12 VAL 17 HG12 VAL 17 10.363 15.700 -20.699 131 HG13 VAL 17 HG13 VAL 17 11.384 15.133 -19.377 132 HG21 VAL 17 HG21 VAL 17 11.468 18.359 -21.602 133 HG22 VAL 17 HG22 VAL 17 11.542 18.534 -19.849 134 HG23 VAL 17 HG23 VAL 17 13.016 18.653 -20.811 135 H GLY 18 H GLY 18 14.141 18.647 -18.824 136 HA2 GLY 18 HA2 GLY 18 13.965 19.712 -16.799 137 HA3 GLY 18 HA3 GLY 18 12.567 18.690 -16.501 138 H SER 19 H SER 19 15.806 17.464 -17.061 139 HA SER 19 HA SER 19 16.105 16.882 -14.204 140 HB2 SER 19 HB2 SER 19 17.045 14.594 -15.573 141 HB3 SER 19 HB3 SER 19 15.660 14.705 -14.486 142 HG SER 19 HG SER 19 14.644 14.130 -16.257 143 H PHE 20 H PHE 20 18.316 16.083 -13.682 144 HA PHE 20 HA PHE 20 20.297 17.305 -15.489 145 HB2 PHE 20 HB2 PHE 20 19.739 17.988 -12.862 146 HB3 PHE 20 HB3 PHE 20 21.165 16.965 -12.723 147 HD1 PHE 20 HD2 PHE 20 20.002 19.622 -15.078 148 HD2 PHE 20 HD1 PHE 20 23.117 18.144 -12.582 149 HE1 PHE 20 HE2 PHE 20 21.422 21.522 -15.731 150 HE2 PHE 20 HE1 PHE 20 24.542 20.043 -13.230 151 HZ PHE 20 HZ PHE 20 23.696 21.734 -14.808 152 H ASP 21 H ASP 21 19.458 14.546 -13.538 153 HA ASP 21 HA ASP 21 20.239 12.405 -13.531 154 HB2 ASP 21 HB2 ASP 21 21.058 13.441 -16.081 155 HB3 ASP 21 HB3 ASP 21 22.320 12.388 -15.447 156 H ASN 22 H ASN 22 23.207 14.053 -14.577 157 HA ASN 22 HA ASN 22 24.931 12.758 -12.856 158 HB2 ASN 22 HB2 ASN 22 25.020 15.173 -14.509 159 HB3 ASN 22 HB3 ASN 22 26.083 15.252 -13.108 160 HD21 ASN 22 HD21 ASN 22 25.282 13.411 -15.981 161 HD22 ASN 22 HD22 ASN 22 26.820 12.643 -16.146 162 H ASN 23 H ASN 23 24.750 12.612 -10.718 163 HA ASN 23 HA ASN 23 23.424 14.508 -9.092 164 HB2 ASN 23 HB2 ASN 23 24.700 11.937 -8.753 165 HB3 ASN 23 HB3 ASN 23 25.131 13.019 -7.432 166 HD21 ASN 23 HD21 ASN 23 23.152 14.324 -6.629 167 HD22 ASN 23 HD22 ASN 23 21.734 13.384 -6.328 168 H ASP 24 H ASP 24 24.119 16.393 -8.352 169 HA ASP 24 HA ASP 24 27.015 16.914 -8.327 170 HB2 ASP 24 HB2 ASP 24 25.045 18.344 -9.572 171 HB3 ASP 24 HB3 ASP 24 25.199 19.213 -8.048 172 H GLU 25 H GLU 25 27.299 18.989 -6.699 173 HA GLU 25 HA GLU 25 26.450 17.927 -4.093 174 HB2 GLU 25 HB2 GLU 25 28.374 19.075 -3.150 175 HB3 GLU 25 HB3 GLU 25 28.880 18.041 -4.479 176 HG2 GLU 25 HG2 GLU 25 29.298 19.841 -5.887 177 HG3 GLU 25 HG3 GLU 25 28.320 20.945 -4.921 178 H ASN 26 H ASN 26 25.964 20.493 -6.245 179 HA ASN 26 HA ASN 26 25.021 22.282 -4.116 180 HB2 ASN 26 HB2 ASN 26 24.816 23.912 -6.118 181 HB3 ASN 26 HB3 ASN 26 26.426 23.517 -5.522 182 HD21 ASN 26 HD21 ASN 26 27.290 24.103 -7.539 183 HD22 ASN 26 HD22 ASN 26 27.172 23.051 -8.905 184 H VAL 27 H VAL 27 23.944 20.141 -6.545 185 HA VAL 27 HA VAL 27 21.307 21.345 -6.772 186 HB VAL 27 HB VAL 27 22.328 20.331 -8.764 187 HG11 VAL 27 HG11 VAL 27 23.107 18.213 -8.891 188 HG12 VAL 27 HG12 VAL 27 23.276 18.408 -7.145 189 HG13 VAL 27 HG13 VAL 27 21.869 17.576 -7.809 190 HG21 VAL 27 HG21 VAL 27 20.391 18.840 -9.372 191 HG22 VAL 27 HG22 VAL 27 19.822 19.032 -7.713 192 HG23 VAL 27 HG23 VAL 27 19.955 20.439 -8.768 193 H GLY 28 H GLY 28 19.566 20.760 -5.631 194 HA2 GLY 28 HA2 GLY 28 19.847 18.448 -3.821 195 HA3 GLY 28 HA3 GLY 28 18.835 19.852 -3.509 196 H SER 29 H SER 29 18.295 16.886 -3.690 197 HA SER 29 HA SER 29 16.111 17.046 -5.663 198 HB2 SER 29 HB2 SER 29 16.809 14.324 -4.975 199 HB3 SER 29 HB3 SER 29 16.748 15.092 -6.562 200 HG SER 29 HG SER 29 18.900 14.604 -4.915 201 H GLY 30 H GLY 30 14.087 16.530 -4.999 202 HA2 GLY 30 HA2 GLY 30 13.775 15.405 -2.294 203 HA3 GLY 30 HA3 GLY 30 12.924 16.878 -2.737 204 H MET 31 H MET 31 12.495 13.691 -2.318 205 HA MET 31 HA MET 31 10.387 13.551 -4.373 206 HB2 MET 31 HB2 MET 31 12.113 11.914 -4.844 207 HB3 MET 31 HB3 MET 31 12.037 11.309 -3.195 208 HG2 MET 31 HG2 MET 31 9.445 11.222 -4.452 209 HG3 MET 31 HG3 MET 31 10.650 10.360 -5.406 210 HE1 MET 31 HE1 MET 31 8.542 10.672 -2.407 211 HE2 MET 31 HE2 MET 31 7.919 9.229 -3.208 212 HE3 MET 31 HE3 MET 31 8.635 9.106 -1.600 213 H VAL 32 H VAL 32 8.384 13.508 -3.608 214 HA VAL 32 HA VAL 32 7.950 12.540 -0.856 215 HB VAL 32 HB VAL 32 6.149 14.145 -0.597 216 HG11 VAL 32 HG11 VAL 32 8.791 15.280 -1.475 217 HG12 VAL 32 HG12 VAL 32 7.516 16.275 -0.771 218 HG13 VAL 32 HG13 VAL 32 8.227 14.960 0.165 219 HG21 VAL 32 HG21 VAL 32 5.133 14.629 -2.563 220 HG22 VAL 32 HG22 VAL 32 6.234 16.006 -2.523 221 HG23 VAL 32 HG23 VAL 32 6.638 14.582 -3.481 222 H GLY 33 H GLY 33 6.451 10.997 -0.579 223 HA2 GLY 33 HA2 GLY 33 4.353 10.619 -2.570 224 HA3 GLY 33 HA3 GLY 33 5.497 9.298 -2.382 225 H ALA 34 H ALA 34 2.560 9.555 -1.820 226 HA ALA 34 HA ALA 34 2.616 8.823 1.034 227 HB1 ALA 34 HB1 ALA 34 0.810 10.489 -0.513 228 HB2 ALA 34 HB2 ALA 34 -0.037 9.234 0.392 229 HB3 ALA 34 HB3 ALA 34 1.021 10.366 1.234 230 HA PRO 35 HA PRO 35 1.554 4.703 -0.105 231 HB2 PRO 35 HB2 PRO 35 0.461 3.887 2.243 232 HB3 PRO 35 HB3 PRO 35 2.200 4.113 2.019 233 HG2 PRO 35 HG2 PRO 35 0.198 5.947 3.279 234 HG3 PRO 35 HG3 PRO 35 1.835 5.534 3.823 235 HD2 PRO 35 HD2 PRO 35 1.271 7.839 2.518 236 HD3 PRO 35 HD3 PRO 35 2.830 7.005 2.353 237 H ALA 36 H ALA 36 -0.951 6.401 1.789 238 HA ALA 36 HA ALA 36 -3.078 4.869 0.624 239 HB1 ALA 36 HB1 ALA 36 -3.553 5.564 2.785 240 HB2 ALA 36 HB2 ALA 36 -2.952 7.198 2.500 241 HB3 ALA 36 HB3 ALA 36 -4.487 6.688 1.797 242 H CYS 37 H CYS 37 -1.405 7.771 -0.181 243 HA CYS 37 HA CYS 37 -3.488 8.877 -1.826 244 HB2 CYS 37 HB2 CYS 37 -1.585 10.153 -0.654 245 HB3 CYS 37 HB3 CYS 37 -0.570 9.604 -1.982 246 HG CYS 37 HG CYS 37 -1.638 12.345 -2.153 247 H GLY 38 H GLY 38 -0.523 7.021 -2.356 248 HA2 GLY 38 HA2 GLY 38 -0.085 5.545 -4.102 249 HA3 GLY 38 HA3 GLY 38 -1.568 6.071 -4.885 250 H ALA 39 H ALA 39 -0.727 8.926 -4.600 251 HA ALA 39 HA ALA 39 0.753 9.061 -7.078 252 HB1 ALA 39 HB1 ALA 39 0.407 11.518 -6.835 253 HB2 ALA 39 HB2 ALA 39 -1.082 10.573 -6.828 254 HB3 ALA 39 HB3 ALA 39 -0.428 11.199 -5.315 255 H VAL 40 H VAL 40 2.482 10.876 -7.187 256 HA VAL 40 HA VAL 40 4.113 11.187 -4.832 257 HB VAL 40 HB VAL 40 4.697 8.892 -5.732 258 HG11 VAL 40 HG11 VAL 40 6.277 10.274 -7.850 259 HG12 VAL 40 HG12 VAL 40 5.733 8.598 -7.763 260 HG13 VAL 40 HG13 VAL 40 4.586 9.880 -8.157 261 HG21 VAL 40 HG21 VAL 40 6.191 10.072 -4.247 262 HG22 VAL 40 HG22 VAL 40 7.132 9.263 -5.500 263 HG23 VAL 40 HG23 VAL 40 6.850 11.001 -5.593 264 H MET 41 H MET 41 5.745 12.749 -5.075 265 HA MET 41 HA MET 41 5.732 14.189 -7.644 266 HB2 MET 41 HB2 MET 41 5.120 15.160 -4.934 267 HB3 MET 41 HB3 MET 41 6.250 16.165 -5.831 268 HG2 MET 41 HG2 MET 41 4.489 17.124 -6.765 269 HG3 MET 41 HG3 MET 41 4.249 15.624 -7.657 270 HE1 MET 41 HE1 MET 41 2.141 18.053 -6.440 271 HE2 MET 41 HE2 MET 41 1.321 17.538 -4.966 272 HE3 MET 41 HE3 MET 41 3.024 17.997 -4.914 273 H LYS 42 H LYS 42 7.661 15.275 -8.205 274 HA LYS 42 HA LYS 42 10.010 14.773 -6.539 275 HB2 LYS 42 HB2 LYS 42 9.607 13.783 -9.349 276 HB3 LYS 42 HB3 LYS 42 11.220 14.100 -8.724 277 HG2 LYS 42 HG2 LYS 42 9.685 12.494 -6.883 278 HG3 LYS 42 HG3 LYS 42 9.759 11.752 -8.483 279 HD2 LYS 42 HD2 LYS 42 12.146 12.735 -6.919 280 HD3 LYS 42 HD3 LYS 42 11.617 11.053 -7.007 281 HE2 LYS 42 HE2 LYS 42 12.631 10.766 -8.967 282 HE3 LYS 42 HE3 LYS 42 11.859 12.199 -9.642 283 HZ1 LYS 42 HZ1 LYS 42 13.600 13.518 -8.449 284 HZ2 LYS 42 HZ2 LYS 42 14.176 12.561 -9.719 285 HZ3 LYS 42 HZ3 LYS 42 14.397 12.062 -8.118 286 H LEU 43 H LEU 43 11.249 16.526 -6.415 287 HA LEU 43 HA LEU 43 11.369 18.379 -8.673 288 HB2 LEU 43 HB2 LEU 43 9.694 19.432 -7.428 289 HB3 LEU 43 HB3 LEU 43 10.465 19.039 -5.892 290 HG LEU 43 HG LEU 43 11.910 20.869 -7.734 291 HD11 LEU 43 HD11 LEU 43 9.332 21.500 -6.366 292 HD12 LEU 43 HD12 LEU 43 9.904 21.982 -7.962 293 HD13 LEU 43 HD13 LEU 43 10.577 22.740 -6.519 294 HD21 LEU 43 HD21 LEU 43 12.017 20.036 -4.999 295 HD22 LEU 43 HD22 LEU 43 11.787 21.783 -5.074 296 HD23 LEU 43 HD23 LEU 43 13.153 21.037 -5.904 297 H GLN 44 H GLN 44 13.245 19.657 -8.742 298 HA GLN 44 HA GLN 44 15.305 19.017 -6.744 299 HB2 GLN 44 HB2 GLN 44 16.941 19.074 -8.722 300 HB3 GLN 44 HB3 GLN 44 15.950 17.635 -8.522 301 HG2 GLN 44 HG2 GLN 44 14.797 19.724 -10.235 302 HG3 GLN 44 HG3 GLN 44 16.264 18.963 -10.847 303 HE21 GLN 44 HE21 GLN 44 15.231 17.915 -12.514 304 HE22 GLN 44 HE22 GLN 44 14.156 16.587 -12.263 305 H ILE 45 H ILE 45 16.862 20.620 -6.377 306 HA ILE 45 HA ILE 45 16.315 23.231 -7.622 307 HB ILE 45 HB ILE 45 16.593 24.372 -5.543 308 HG12 ILE 45 HG12 ILE 45 17.181 21.656 -4.344 309 HG13 ILE 45 HG13 ILE 45 18.333 22.969 -4.562 310 HG21 ILE 45 HG21 ILE 45 14.858 22.388 -4.362 311 HG22 ILE 45 HG22 ILE 45 14.480 24.005 -4.954 312 HG23 ILE 45 HG23 ILE 45 14.484 22.638 -6.067 313 HD11 ILE 45 HD11 ILE 45 16.628 22.447 -2.361 314 HD12 ILE 45 HD12 ILE 45 17.817 23.735 -2.559 315 HD13 ILE 45 HD13 ILE 45 16.151 23.985 -3.081 316 H LYS 46 H LYS 46 18.153 24.806 -7.200 317 HA LYS 46 HA LYS 46 20.756 23.462 -7.060 318 HB2 LYS 46 HB2 LYS 46 20.353 23.630 -9.416 319 HB3 LYS 46 HB3 LYS 46 19.815 25.297 -9.264 320 HG2 LYS 46 HG2 LYS 46 22.026 25.242 -10.205 321 HG3 LYS 46 HG3 LYS 46 22.095 25.942 -8.586 322 HD2 LYS 46 HD2 LYS 46 23.937 24.411 -8.869 323 HD3 LYS 46 HD3 LYS 46 22.793 23.733 -7.708 324 HE2 LYS 46 HE2 LYS 46 23.653 22.081 -9.353 325 HE3 LYS 46 HE3 LYS 46 21.899 22.249 -9.365 326 HZ1 LYS 46 HZ1 LYS 46 21.906 23.134 -11.424 327 HZ2 LYS 46 HZ2 LYS 46 23.365 22.290 -11.564 328 HZ3 LYS 46 HZ3 LYS 46 23.375 23.945 -11.212 329 H VAL 47 H VAL 47 21.321 24.354 -5.125 330 HA VAL 47 HA VAL 47 21.090 27.238 -4.750 331 HB VAL 47 HB VAL 47 22.096 25.123 -2.840 332 HG11 VAL 47 HG11 VAL 47 21.475 27.065 -1.204 333 HG12 VAL 47 HG12 VAL 47 23.036 27.062 -2.027 334 HG13 VAL 47 HG13 VAL 47 21.724 28.076 -2.627 335 HG21 VAL 47 HG21 VAL 47 19.977 25.095 -1.844 336 HG22 VAL 47 HG22 VAL 47 19.465 26.561 -2.681 337 HG23 VAL 47 HG23 VAL 47 19.645 25.052 -3.576 338 H ASN 48 H ASN 48 22.840 28.601 -4.367 339 HA ASN 48 HA ASN 48 25.375 27.638 -5.473 340 HB2 ASN 48 HB2 ASN 48 25.841 29.820 -6.110 341 HB3 ASN 48 HB3 ASN 48 24.085 29.782 -6.248 342 HD21 ASN 48 HD21 ASN 48 22.897 30.485 -4.264 343 HD22 ASN 48 HD22 ASN 48 23.538 31.837 -3.399 344 H ASP 49 H ASP 49 27.195 29.333 -4.435 345 HA ASP 49 HA ASP 49 27.856 28.186 -1.977 346 HB2 ASP 49 HB2 ASP 49 28.894 30.389 -3.645 347 HB3 ASP 49 HB3 ASP 49 29.296 30.491 -1.933 348 H GLU 50 H GLU 50 26.551 31.425 -2.672 349 HA GLU 50 HA GLU 50 26.441 32.433 -0.110 350 HB2 GLU 50 HB2 GLU 50 25.107 32.979 -2.647 351 HB3 GLU 50 HB3 GLU 50 24.100 33.365 -1.258 352 HG2 GLU 50 HG2 GLU 50 25.573 35.212 -2.193 353 HG3 GLU 50 HG3 GLU 50 25.607 34.948 -0.450 354 H GLY 51 H GLY 51 23.887 30.599 -1.794 355 HA2 GLY 51 HA2 GLY 51 22.858 28.795 -0.404 356 HA3 GLY 51 HA3 GLY 51 22.728 30.008 0.861 357 H ILE 52 H ILE 52 22.111 30.621 -2.541 358 HA ILE 52 HA ILE 52 19.249 30.922 -1.902 359 HB ILE 52 HB ILE 52 20.901 32.633 -3.764 360 HG12 ILE 52 HG12 ILE 52 21.292 33.190 -1.431 361 HG13 ILE 52 HG13 ILE 52 20.313 34.448 -2.178 362 HG21 ILE 52 HG21 ILE 52 18.751 32.407 -4.735 363 HG22 ILE 52 HG22 ILE 52 17.952 32.591 -3.175 364 HG23 ILE 52 HG23 ILE 52 18.768 33.968 -3.915 365 HD11 ILE 52 HD11 ILE 52 19.511 33.933 0.045 366 HD12 ILE 52 HD12 ILE 52 18.311 33.474 -1.163 367 HD13 ILE 52 HD13 ILE 52 19.310 32.239 -0.398 368 H ILE 53 H ILE 53 17.763 30.265 -3.432 369 HA ILE 53 HA ILE 53 18.628 28.219 -5.227 370 HB ILE 53 HB ILE 53 15.905 29.492 -4.930 371 HG12 ILE 53 HG12 ILE 53 16.812 28.362 -2.889 372 HG13 ILE 53 HG13 ILE 53 15.350 27.614 -3.525 373 HG21 ILE 53 HG21 ILE 53 15.144 27.332 -5.987 374 HG22 ILE 53 HG22 ILE 53 15.981 28.456 -7.056 375 HG23 ILE 53 HG23 ILE 53 16.830 27.048 -6.419 376 HD11 ILE 53 HD11 ILE 53 17.915 26.516 -4.482 377 HD12 ILE 53 HD12 ILE 53 17.501 26.226 -2.792 378 HD13 ILE 53 HD13 ILE 53 16.407 25.699 -4.070 379 H GLU 54 H GLU 54 19.368 28.489 -7.217 380 HA GLU 54 HA GLU 54 18.664 30.953 -8.663 381 HB2 GLU 54 HB2 GLU 54 21.005 30.884 -8.420 382 HB3 GLU 54 HB3 GLU 54 21.077 29.162 -8.766 383 HG2 GLU 54 HG2 GLU 54 20.785 29.484 -11.054 384 HG3 GLU 54 HG3 GLU 54 20.163 31.119 -10.837 385 H ASP 55 H ASP 55 18.583 27.486 -8.761 386 HA ASP 55 HA ASP 55 17.040 27.631 -11.252 387 HB2 ASP 55 HB2 ASP 55 19.605 26.706 -11.262 388 HB3 ASP 55 HB3 ASP 55 18.709 25.217 -10.971 389 H ALA 56 H ALA 56 15.330 26.229 -11.389 390 HA ALA 56 HA ALA 56 14.968 24.285 -9.221 391 HB1 ALA 56 HB1 ALA 56 12.647 25.970 -10.060 392 HB2 ALA 56 HB2 ALA 56 12.902 25.077 -8.560 393 HB3 ALA 56 HB3 ALA 56 13.788 26.573 -8.857 394 H ARG 57 H ARG 57 14.704 22.374 -10.157 395 HA ARG 57 HA ARG 57 13.165 22.239 -12.667 396 HB2 ARG 57 HB2 ARG 57 15.684 20.924 -11.812 397 HB3 ARG 57 HB3 ARG 57 14.558 19.943 -12.741 398 HG2 ARG 57 HG2 ARG 57 15.651 22.611 -13.609 399 HG3 ARG 57 HG3 ARG 57 16.248 21.039 -14.144 400 HD2 ARG 57 HD2 ARG 57 13.909 20.561 -14.956 401 HD3 ARG 57 HD3 ARG 57 13.540 22.256 -14.641 402 HE ARG 57 HE ARG 57 15.842 21.848 -16.320 403 HH11 ARG 57 HH11 ARG 57 12.380 22.206 -16.222 404 HH12 ARG 57 HH12 ARG 57 12.260 22.752 -17.862 405 HH21 ARG 57 HH21 ARG 57 15.696 22.566 -18.481 406 HH22 ARG 57 HH22 ARG 57 14.146 22.956 -19.146 407 H PHE 58 H PHE 58 12.306 19.905 -13.010 408 HA PHE 58 HA PHE 58 11.629 18.398 -10.683 409 HB2 PHE 58 HB2 PHE 58 9.280 18.836 -10.561 410 HB3 PHE 58 HB3 PHE 58 10.099 20.394 -10.501 411 HD1 PHE 58 HD1 PHE 58 10.418 21.555 -12.844 412 HD2 PHE 58 HD2 PHE 58 7.490 18.590 -11.976 413 HE1 PHE 58 HE1 PHE 58 9.064 22.341 -14.742 414 HE2 PHE 58 HE2 PHE 58 6.132 19.371 -13.872 415 HZ PHE 58 HZ PHE 58 6.918 21.249 -15.259 416 H LYS 59 H LYS 59 9.936 16.685 -11.253 417 HA LYS 59 HA LYS 59 9.957 16.022 -14.107 418 HB2 LYS 59 HB2 LYS 59 11.185 14.447 -11.891 419 HB3 LYS 59 HB3 LYS 59 10.385 13.568 -13.187 420 HG2 LYS 59 HG2 LYS 59 11.867 15.148 -14.696 421 HG3 LYS 59 HG3 LYS 59 12.867 15.192 -13.242 422 HD2 LYS 59 HD2 LYS 59 13.767 13.369 -14.300 423 HD3 LYS 59 HD3 LYS 59 12.520 12.582 -13.330 424 HE2 LYS 59 HE2 LYS 59 11.415 13.458 -15.830 425 HE3 LYS 59 HE3 LYS 59 12.857 12.485 -16.119 426 HZ1 LYS 59 HZ1 LYS 59 11.900 10.636 -15.246 427 HZ2 LYS 59 HZ2 LYS 59 10.501 11.395 -15.817 428 HZ3 LYS 59 HZ3 LYS 59 10.907 11.494 -14.178 429 H THR 60 H THR 60 8.151 14.992 -14.819 430 HA THR 60 HA THR 60 5.873 14.965 -13.075 431 HB THR 60 HB THR 60 5.678 13.658 -15.730 432 HG1 THR 60 HG1 THR 60 6.516 16.325 -15.332 433 HG21 THR 60 HG21 THR 60 4.068 15.895 -14.506 434 HG22 THR 60 HG22 THR 60 3.746 14.187 -14.208 435 HG23 THR 60 HG23 THR 60 3.606 14.839 -15.840 436 H TYR 61 H TYR 61 4.719 13.224 -12.317 437 HA TYR 61 HA TYR 61 5.290 10.529 -13.047 438 HB2 TYR 61 HB2 TYR 61 6.868 11.706 -10.935 439 HB3 TYR 61 HB3 TYR 61 5.885 10.390 -10.303 440 HD1 TYR 61 HD2 TYR 61 5.868 8.267 -12.025 441 HD2 TYR 61 HD1 TYR 61 8.993 11.121 -11.586 442 HE1 TYR 61 HE2 TYR 61 7.477 6.633 -12.913 443 HE2 TYR 61 HE1 TYR 61 10.611 9.495 -12.474 444 HH TYR 61 HH TYR 61 10.837 7.060 -12.704 445 H GLY 62 H GLY 62 3.083 10.322 -13.267 446 HA2 GLY 62 HA2 GLY 62 1.563 9.338 -11.228 447 HA3 GLY 62 HA3 GLY 62 1.273 11.070 -11.161 448 H CYS 63 H CYS 63 -0.947 10.610 -11.639 449 HA CYS 63 HA CYS 63 -1.399 10.009 -14.489 450 HB2 CYS 63 HB2 CYS 63 -2.275 8.377 -12.637 451 HB3 CYS 63 HB3 CYS 63 -3.527 9.594 -12.420 452 HG CYS 63 HG CYS 63 -3.747 7.147 -14.346 453 H GLY 64 H GLY 64 -0.820 12.548 -14.009 454 HA2 GLY 64 HA2 GLY 64 -3.404 13.947 -13.737 455 HA3 GLY 64 HA3 GLY 64 -1.833 14.677 -13.441 456 H SER 65 H SER 65 -1.853 16.321 -14.881 457 HA SER 65 HA SER 65 -1.655 15.600 -17.690 458 HB2 SER 65 HB2 SER 65 -3.232 17.788 -17.985 459 HB3 SER 65 HB3 SER 65 -3.840 16.133 -18.018 460 HG SER 65 HG SER 65 -4.185 16.380 -15.714 461 H ALA 66 H ALA 66 -2.035 18.537 -15.697 462 HA ALA 66 HA ALA 66 0.502 19.514 -16.838 463 HB1 ALA 66 HB1 ALA 66 -1.488 20.752 -17.643 464 HB2 ALA 66 HB2 ALA 66 -1.835 21.212 -15.976 465 HB3 ALA 66 HB3 ALA 66 -0.349 21.762 -16.752 466 H ILE 67 H ILE 67 -1.605 19.461 -14.002 467 HA ILE 67 HA ILE 67 -1.205 19.784 -11.784 468 HB ILE 67 HB ILE 67 1.601 18.950 -12.528 469 HG12 ILE 67 HG12 ILE 67 0.334 16.819 -11.298 470 HG13 ILE 67 HG13 ILE 67 -0.925 17.495 -12.324 471 HG21 ILE 67 HG21 ILE 67 1.686 18.200 -10.144 472 HG22 ILE 67 HG22 ILE 67 1.619 19.948 -10.361 473 HG23 ILE 67 HG23 ILE 67 0.171 19.064 -9.880 474 HD11 ILE 67 HD11 ILE 67 0.612 15.655 -13.260 475 HD12 ILE 67 HD12 ILE 67 0.248 17.058 -14.266 476 HD13 ILE 67 HD13 ILE 67 1.796 16.952 -13.427 477 H ALA 68 H ALA 68 -1.549 22.036 -11.836 478 HA ALA 68 HA ALA 68 0.541 23.894 -12.382 479 HB1 ALA 68 HB1 ALA 68 -1.053 25.465 -12.195 480 HB2 ALA 68 HB2 ALA 68 -2.158 24.091 -12.197 481 HB3 ALA 68 HB3 ALA 68 -1.658 24.818 -10.670 482 H SER 69 H SER 69 -0.486 22.147 -9.568 483 HA SER 69 HA SER 69 0.423 23.703 -7.487 484 HB2 SER 69 HB2 SER 69 -0.231 20.930 -7.887 485 HB3 SER 69 HB3 SER 69 1.197 21.058 -6.861 486 HG SER 69 HG SER 69 -1.079 21.200 -5.920 487 H SER 70 H SER 70 2.271 21.796 -9.768 488 HA SER 70 HA SER 70 4.755 22.186 -8.327 489 HB2 SER 70 HB2 SER 70 5.567 20.512 -9.612 490 HB3 SER 70 HB3 SER 70 3.883 20.249 -10.066 491 HG SER 70 HG SER 70 4.274 21.037 -11.988 492 H SER 71 H SER 71 3.226 23.344 -11.299 493 HA SER 71 HA SER 71 5.357 24.855 -12.292 494 HB2 SER 71 HB2 SER 71 2.559 25.851 -12.632 495 HB3 SER 71 HB3 SER 71 3.853 25.714 -13.822 496 HG SER 71 HG SER 71 2.154 24.150 -14.081 497 H LEU 72 H LEU 72 2.898 25.624 -9.898 498 HA LEU 72 HA LEU 72 3.653 28.386 -9.685 499 HB2 LEU 72 HB2 LEU 72 1.388 27.741 -9.192 500 HB3 LEU 72 HB3 LEU 72 1.938 26.619 -7.950 501 HG LEU 72 HG LEU 72 0.912 28.893 -7.255 502 HD11 LEU 72 HD11 LEU 72 1.723 28.327 -5.269 503 HD12 LEU 72 HD12 LEU 72 3.364 28.753 -5.754 504 HD13 LEU 72 HD13 LEU 72 2.739 27.138 -6.085 505 HD21 LEU 72 HD21 LEU 72 2.128 30.795 -7.450 506 HD22 LEU 72 HD22 LEU 72 2.745 29.963 -8.877 507 HD23 LEU 72 HD23 LEU 72 3.674 29.949 -7.377 508 H VAL 73 H VAL 73 4.174 25.463 -7.744 509 HA VAL 73 HA VAL 73 5.614 26.701 -5.663 510 HB VAL 73 HB VAL 73 5.551 23.859 -6.656 511 HG11 VAL 73 HG11 VAL 73 7.606 23.712 -5.708 512 HG12 VAL 73 HG12 VAL 73 7.354 25.123 -4.677 513 HG13 VAL 73 HG13 VAL 73 6.644 23.569 -4.237 514 HG21 VAL 73 HG21 VAL 73 3.924 23.521 -5.145 515 HG22 VAL 73 HG22 VAL 73 4.704 24.532 -3.929 516 HG23 VAL 73 HG23 VAL 73 3.737 25.273 -5.204 517 H THR 74 H THR 74 6.568 25.474 -8.800 518 HA THR 74 HA THR 74 9.361 25.427 -8.361 519 HB THR 74 HB THR 74 9.429 25.693 -10.934 520 HG1 THR 74 HG1 THR 74 7.566 25.931 -11.915 521 HG21 THR 74 HG21 THR 74 9.798 23.527 -10.335 522 HG22 THR 74 HG22 THR 74 8.206 23.321 -11.067 523 HG23 THR 74 HG23 THR 74 8.361 23.450 -9.316 524 H GLU 75 H GLU 75 7.317 27.838 -10.019 525 HA GLU 75 HA GLU 75 9.344 29.717 -10.465 526 HB2 GLU 75 HB2 GLU 75 7.474 31.358 -10.692 527 HB3 GLU 75 HB3 GLU 75 7.270 29.901 -11.655 528 HG2 GLU 75 HG2 GLU 75 5.763 29.005 -9.919 529 HG3 GLU 75 HG3 GLU 75 5.916 30.526 -9.041 530 H TRP 76 H TRP 76 7.673 28.857 -7.598 531 HA TRP 76 HA TRP 76 8.141 31.343 -6.217 532 HB2 TRP 76 HB2 TRP 76 6.573 29.013 -5.781 533 HB3 TRP 76 HB3 TRP 76 7.650 29.190 -4.399 534 HD1 TRP 76 HD1 TRP 76 6.108 30.165 -2.579 535 HE1 TRP 76 HE1 TRP 76 4.593 32.237 -2.391 536 HE3 TRP 76 HE3 TRP 76 6.341 31.784 -7.423 537 HZ2 TRP 76 HZ2 TRP 76 3.624 34.286 -4.073 538 HZ3 TRP 76 HZ3 TRP 76 5.091 33.807 -8.052 539 HH2 TRP 76 HH2 TRP 76 3.761 35.031 -6.410 540 H VAL 77 H VAL 77 9.543 28.084 -6.178 541 HA VAL 77 HA VAL 77 11.489 28.694 -4.182 542 HB VAL 77 HB VAL 77 12.544 26.557 -4.850 543 HG11 VAL 77 HG11 VAL 77 10.114 26.961 -3.599 544 HG12 VAL 77 HG12 VAL 77 9.781 25.669 -4.755 545 HG13 VAL 77 HG13 VAL 77 11.072 25.480 -3.567 546 HG21 VAL 77 HG21 VAL 77 11.598 25.182 -6.577 547 HG22 VAL 77 HG22 VAL 77 10.324 26.363 -6.882 548 HG23 VAL 77 HG23 VAL 77 11.999 26.753 -7.271 549 H LYS 78 H LYS 78 11.349 28.980 -7.645 550 HA LYS 78 HA LYS 78 14.118 29.133 -8.175 551 HB2 LYS 78 HB2 LYS 78 11.621 29.684 -9.611 552 HB3 LYS 78 HB3 LYS 78 12.960 30.713 -10.103 553 HG2 LYS 78 HG2 LYS 78 14.093 28.205 -10.017 554 HG3 LYS 78 HG3 LYS 78 12.471 27.905 -10.646 555 HD2 LYS 78 HD2 LYS 78 14.238 30.075 -11.744 556 HD3 LYS 78 HD3 LYS 78 14.304 28.416 -12.345 557 HE2 LYS 78 HE2 LYS 78 12.513 28.765 -13.612 558 HE3 LYS 78 HE3 LYS 78 11.577 29.274 -12.207 559 HZ1 LYS 78 HZ1 LYS 78 12.031 30.885 -14.213 560 HZ2 LYS 78 HZ2 LYS 78 13.462 31.189 -13.365 561 HZ3 LYS 78 HZ3 LYS 78 11.966 31.461 -12.624 562 H GLY 79 H GLY 79 15.103 30.463 -6.645 563 HA2 GLY 79 HA2 GLY 79 16.099 32.738 -6.809 564 HA3 GLY 79 HA3 GLY 79 14.448 33.335 -6.902 565 H LYS 80 H LYS 80 13.676 31.232 -4.858 566 HA LYS 80 HA LYS 80 14.002 32.908 -2.565 567 HB2 LYS 80 HB2 LYS 80 12.320 30.746 -3.345 568 HB3 LYS 80 HB3 LYS 80 13.079 30.314 -1.818 569 HG2 LYS 80 HG2 LYS 80 11.218 31.389 -1.061 570 HG3 LYS 80 HG3 LYS 80 12.349 32.742 -1.136 571 HD2 LYS 80 HD2 LYS 80 10.926 33.794 -2.484 572 HD3 LYS 80 HD3 LYS 80 11.193 32.535 -3.692 573 HE2 LYS 80 HE2 LYS 80 9.342 31.276 -2.920 574 HE3 LYS 80 HE3 LYS 80 9.199 32.250 -1.457 575 HZ1 LYS 80 HZ1 LYS 80 8.078 33.857 -2.532 576 HZ2 LYS 80 HZ2 LYS 80 7.705 32.621 -3.624 577 HZ3 LYS 80 HZ3 LYS 80 8.966 33.696 -3.964 578 H SER 81 H SER 81 14.801 32.070 -0.463 579 HA SER 81 HA SER 81 17.415 30.866 -0.844 580 HB2 SER 81 HB2 SER 81 17.868 31.549 1.435 581 HB3 SER 81 HB3 SER 81 17.101 32.891 0.587 582 HG SER 81 HG SER 81 16.111 32.650 2.575 583 H LEU 82 H LEU 82 17.924 29.561 1.460 584 HA LEU 82 HA LEU 82 16.578 27.067 1.054 585 HB2 LEU 82 HB2 LEU 82 18.485 27.803 3.265 586 HB3 LEU 82 HB3 LEU 82 18.076 26.183 2.706 587 HG LEU 82 HG LEU 82 19.405 28.140 0.866 588 HD11 LEU 82 HD11 LEU 82 21.019 28.244 2.475 589 HD12 LEU 82 HD12 LEU 82 21.515 26.767 1.648 590 HD13 LEU 82 HD13 LEU 82 20.604 26.670 3.155 591 HD21 LEU 82 HD21 LEU 82 19.002 25.184 1.016 592 HD22 LEU 82 HD22 LEU 82 20.381 25.839 0.132 593 HD23 LEU 82 HD23 LEU 82 18.740 26.287 -0.335 594 H ASP 83 H ASP 83 16.834 29.294 3.823 595 HA ASP 83 HA ASP 83 14.999 27.914 5.460 596 HB2 ASP 83 HB2 ASP 83 16.170 30.668 5.462 597 HB3 ASP 83 HB3 ASP 83 14.822 30.309 6.537 598 H GLU 84 H GLU 84 14.608 30.575 3.168 599 HA GLU 84 HA GLU 84 11.950 31.223 3.726 600 HB2 GLU 84 HB2 GLU 84 13.746 31.539 1.371 601 HB3 GLU 84 HB3 GLU 84 12.023 31.785 1.123 602 HG2 GLU 84 HG2 GLU 84 13.435 33.826 1.660 603 HG3 GLU 84 HG3 GLU 84 11.949 33.603 2.580 604 H ALA 85 H ALA 85 13.245 28.978 1.283 605 HA ALA 85 HA ALA 85 10.777 28.096 0.292 606 HB1 ALA 85 HB1 ALA 85 12.167 26.007 -0.334 607 HB2 ALA 85 HB2 ALA 85 12.593 27.563 -1.047 608 HB3 ALA 85 HB3 ALA 85 13.531 26.926 0.304 609 H GLN 86 H GLN 86 12.792 26.862 2.930 610 HA GLN 86 HA GLN 86 11.140 24.614 3.487 611 HB2 GLN 86 HB2 GLN 86 13.636 25.189 4.174 612 HB3 GLN 86 HB3 GLN 86 12.847 25.832 5.608 613 HG2 GLN 86 HG2 GLN 86 11.674 23.355 5.264 614 HG3 GLN 86 HG3 GLN 86 13.366 23.090 4.844 615 HE21 GLN 86 HE21 GLN 86 11.370 24.674 7.309 616 HE22 GLN 86 HE22 GLN 86 12.384 24.259 8.644 617 H ALA 87 H ALA 87 10.992 27.954 4.304 618 HA ALA 87 HA ALA 87 9.294 27.613 6.609 619 HB1 ALA 87 HB1 ALA 87 10.214 29.615 6.965 620 HB2 ALA 87 HB2 ALA 87 10.631 29.823 5.263 621 HB3 ALA 87 HB3 ALA 87 9.012 30.234 5.832 622 H ILE 88 H ILE 88 8.876 27.793 3.207 623 HA ILE 88 HA ILE 88 6.386 28.930 2.890 624 HB ILE 88 HB ILE 88 7.506 26.528 1.443 625 HG12 ILE 88 HG12 ILE 88 7.526 29.477 0.767 626 HG13 ILE 88 HG13 ILE 88 8.915 28.524 1.277 627 HG21 ILE 88 HG21 ILE 88 5.213 28.342 0.707 628 HG22 ILE 88 HG22 ILE 88 5.921 27.119 -0.347 629 HG23 ILE 88 HG23 ILE 88 5.106 26.636 1.141 630 HD11 ILE 88 HD11 ILE 88 8.195 27.083 -0.835 631 HD12 ILE 88 HD12 ILE 88 7.553 28.646 -1.339 632 HD13 ILE 88 HD13 ILE 88 9.265 28.479 -0.952 633 H LYS 89 H LYS 89 4.282 28.250 3.054 634 HA LYS 89 HA LYS 89 3.855 25.710 4.485 635 HB2 LYS 89 HB2 LYS 89 2.221 28.250 4.629 636 HB3 LYS 89 HB3 LYS 89 1.859 26.756 5.484 637 HG2 LYS 89 HG2 LYS 89 4.269 28.516 5.882 638 HG3 LYS 89 HG3 LYS 89 2.902 28.324 6.982 639 HD2 LYS 89 HD2 LYS 89 3.480 25.970 7.295 640 HD3 LYS 89 HD3 LYS 89 4.835 26.148 6.178 641 HE2 LYS 89 HE2 LYS 89 6.135 26.876 7.826 642 HE3 LYS 89 HE3 LYS 89 5.000 28.177 8.182 643 HZ1 LYS 89 HZ1 LYS 89 4.040 27.010 9.855 644 HZ2 LYS 89 HZ2 LYS 89 5.586 26.330 9.942 645 HZ3 LYS 89 HZ3 LYS 89 4.341 25.500 9.153 646 H ASN 90 H ASN 90 2.381 24.290 3.711 647 HA ASN 90 HA ASN 90 1.667 24.220 1.066 648 HB2 ASN 90 HB2 ASN 90 0.160 22.441 1.609 649 HB3 ASN 90 HB3 ASN 90 1.519 22.328 2.724 650 HD21 ASN 90 HD21 ASN 90 -1.836 22.625 2.400 651 HD22 ASN 90 HD22 ASN 90 -2.224 22.821 4.072 652 H THR 91 H THR 91 -0.071 25.696 3.741 653 HA THR 91 HA THR 91 -2.543 26.163 2.629 654 HB THR 91 HB THR 91 -2.037 26.762 4.937 655 HG1 THR 91 HG1 THR 91 -2.983 28.974 4.818 656 HG21 THR 91 HG21 THR 91 0.235 27.899 3.996 657 HG22 THR 91 HG22 THR 91 -0.446 28.229 5.589 658 HG23 THR 91 HG23 THR 91 -0.765 29.329 4.248 659 H ASP 92 H ASP 92 0.473 27.876 2.050 660 HA ASP 92 HA ASP 92 -0.707 29.982 0.520 661 HB2 ASP 92 HB2 ASP 92 1.818 29.451 1.616 662 HB3 ASP 92 HB3 ASP 92 2.073 29.503 -0.126 663 H ILE 93 H ILE 93 0.779 26.878 -0.231 664 HA ILE 93 HA ILE 93 0.785 27.265 -3.060 665 HB ILE 93 HB ILE 93 1.011 24.756 -1.399 666 HG12 ILE 93 HG12 ILE 93 3.407 24.966 -2.428 667 HG13 ILE 93 HG13 ILE 93 2.961 26.652 -2.665 668 HG21 ILE 93 HG21 ILE 93 0.870 25.165 -4.330 669 HG22 ILE 93 HG22 ILE 93 2.049 24.002 -3.727 670 HG23 ILE 93 HG23 ILE 93 0.339 23.800 -3.349 671 HD11 ILE 93 HD11 ILE 93 2.354 25.765 0.013 672 HD12 ILE 93 HD12 ILE 93 4.055 25.525 -0.390 673 HD13 ILE 93 HD13 ILE 93 3.331 27.127 -0.535 674 H ALA 94 H ALA 94 -1.523 26.085 -0.740 675 HA ALA 94 HA ALA 94 -3.226 24.762 -2.611 676 HB1 ALA 94 HB1 ALA 94 -3.067 24.967 0.170 677 HB2 ALA 94 HB2 ALA 94 -4.626 25.668 -0.266 678 HB3 ALA 94 HB3 ALA 94 -4.225 24.026 -0.769 679 H GLU 95 H GLU 95 -3.345 27.926 -0.988 680 HA GLU 95 HA GLU 95 -5.695 28.744 -2.418 681 HB2 GLU 95 HB2 GLU 95 -3.751 30.341 -0.741 682 HB3 GLU 95 HB3 GLU 95 -5.283 30.944 -1.359 683 HG2 GLU 95 HG2 GLU 95 -5.140 28.521 0.397 684 HG3 GLU 95 HG3 GLU 95 -5.198 30.152 1.062 685 H GLU 96 H GLU 96 -2.283 28.903 -2.933 686 HA GLU 96 HA GLU 96 -1.989 31.101 -4.574 687 HB2 GLU 96 HB2 GLU 96 -0.555 28.603 -4.120 688 HB3 GLU 96 HB3 GLU 96 -0.385 29.183 -5.770 689 HG2 GLU 96 HG2 GLU 96 0.121 30.919 -3.373 690 HG3 GLU 96 HG3 GLU 96 1.373 29.937 -4.133 691 H LEU 97 H LEU 97 -2.785 27.778 -5.588 692 HA LEU 97 HA LEU 97 -3.775 28.881 -8.131 693 HB2 LEU 97 HB2 LEU 97 -3.025 26.026 -7.536 694 HB3 LEU 97 HB3 LEU 97 -3.409 26.720 -9.110 695 HG LEU 97 HG LEU 97 -1.180 28.096 -7.903 696 HD11 LEU 97 HD11 LEU 97 -1.226 25.180 -7.660 697 HD12 LEU 97 HD12 LEU 97 -0.200 26.373 -6.864 698 HD13 LEU 97 HD13 LEU 97 0.192 25.819 -8.491 699 HD21 LEU 97 HD21 LEU 97 -1.225 28.380 -10.148 700 HD22 LEU 97 HD22 LEU 97 -1.925 26.789 -10.448 701 HD23 LEU 97 HD23 LEU 97 -0.201 26.945 -10.110 702 H GLU 98 H GLU 98 -4.784 27.667 -5.194 703 HA GLU 98 HA GLU 98 -6.813 27.055 -4.367 704 HB2 GLU 98 HB2 GLU 98 -7.994 27.738 -7.054 705 HB3 GLU 98 HB3 GLU 98 -8.785 27.768 -5.484 706 HG2 GLU 98 HG2 GLU 98 -7.224 29.617 -4.838 707 HG3 GLU 98 HG3 GLU 98 -6.690 29.658 -6.517 708 H LEU 99 H LEU 99 -5.469 24.930 -4.874 709 HA LEU 99 HA LEU 99 -6.246 23.170 -6.881 710 HB2 LEU 99 HB2 LEU 99 -5.081 22.857 -4.161 711 HB3 LEU 99 HB3 LEU 99 -5.670 21.419 -4.991 712 HG LEU 99 HG LEU 99 -3.258 21.721 -5.273 713 HD11 LEU 99 HD11 LEU 99 -3.174 21.404 -7.649 714 HD12 LEU 99 HD12 LEU 99 -4.733 22.202 -7.856 715 HD13 LEU 99 HD13 LEU 99 -4.642 20.646 -7.030 716 HD21 LEU 99 HD21 LEU 99 -2.427 23.584 -6.659 717 HD22 LEU 99 HD22 LEU 99 -3.115 24.130 -5.130 718 HD23 LEU 99 HD23 LEU 99 -4.037 24.303 -6.624 719 HA PRO 100 HA PRO 100 -10.364 21.998 -5.869 720 HB2 PRO 100 HB2 PRO 100 -10.437 19.564 -7.070 721 HB3 PRO 100 HB3 PRO 100 -10.463 21.083 -7.974 722 HG2 PRO 100 HG2 PRO 100 -8.165 19.244 -7.425 723 HG3 PRO 100 HG3 PRO 100 -8.600 20.073 -8.932 724 HD2 PRO 100 HD2 PRO 100 -6.654 20.978 -7.281 725 HD3 PRO 100 HD3 PRO 100 -7.665 22.067 -8.252 726 HA PRO 101 HA PRO 101 -10.300 19.466 -2.268 727 HB2 PRO 101 HB2 PRO 101 -12.846 18.523 -2.272 728 HB3 PRO 101 HB3 PRO 101 -12.443 20.197 -1.872 729 HG2 PRO 101 HG2 PRO 101 -13.449 19.055 -4.449 730 HG3 PRO 101 HG3 PRO 101 -13.934 20.546 -3.621 731 HD2 PRO 101 HD2 PRO 101 -12.227 20.536 -5.724 732 HD3 PRO 101 HD3 PRO 101 -12.115 21.724 -4.409 733 H VAL 102 H VAL 102 -10.687 18.176 -5.375 734 HA VAL 102 HA VAL 102 -11.277 15.487 -4.867 735 HB VAL 102 HB VAL 102 -10.178 15.002 -7.024 736 HG11 VAL 102 HG11 VAL 102 -12.125 17.247 -6.747 737 HG12 VAL 102 HG12 VAL 102 -11.538 16.796 -8.349 738 HG13 VAL 102 HG13 VAL 102 -12.376 15.609 -7.350 739 HG21 VAL 102 HG21 VAL 102 -9.540 17.374 -8.166 740 HG22 VAL 102 HG22 VAL 102 -8.990 17.642 -6.512 741 HG23 VAL 102 HG23 VAL 102 -8.368 16.276 -7.437 742 H LYS 103 H LYS 103 -8.238 17.257 -4.755 743 HA LYS 103 HA LYS 103 -7.050 15.197 -3.132 744 HB2 LYS 103 HB2 LYS 103 -6.670 14.386 -5.467 745 HB3 LYS 103 HB3 LYS 103 -5.759 15.856 -5.785 746 HG2 LYS 103 HG2 LYS 103 -3.971 15.188 -4.538 747 HG3 LYS 103 HG3 LYS 103 -4.951 14.183 -3.468 748 HD2 LYS 103 HD2 LYS 103 -3.774 12.620 -4.721 749 HD3 LYS 103 HD3 LYS 103 -5.322 12.717 -5.564 750 HE2 LYS 103 HE2 LYS 103 -2.995 14.428 -6.374 751 HE3 LYS 103 HE3 LYS 103 -3.157 12.772 -6.957 752 HZ1 LYS 103 HZ1 LYS 103 -4.740 15.133 -7.605 753 HZ2 LYS 103 HZ2 LYS 103 -5.572 13.665 -7.506 754 HZ3 LYS 103 HZ3 LYS 103 -4.282 13.834 -8.587 755 H ILE 104 H ILE 104 -7.404 17.374 -1.977 756 HA ILE 104 HA ILE 104 -5.902 19.643 -2.462 757 HB ILE 104 HB ILE 104 -6.622 18.467 0.226 758 HG12 ILE 104 HG12 ILE 104 -8.547 18.885 -1.281 759 HG13 ILE 104 HG13 ILE 104 -8.560 19.932 0.133 760 HG21 ILE 104 HG21 ILE 104 -5.595 21.174 -0.577 761 HG22 ILE 104 HG22 ILE 104 -6.476 20.907 0.927 762 HG23 ILE 104 HG23 ILE 104 -4.951 20.070 0.638 763 HD11 ILE 104 HD11 ILE 104 -9.175 21.087 -1.954 764 HD12 ILE 104 HD12 ILE 104 -7.754 21.780 -1.172 765 HD13 ILE 104 HD13 ILE 104 -7.565 20.744 -2.586 766 H HIS 105 H HIS 105 -4.867 16.550 -1.333 767 HA HIS 105 HA HIS 105 -2.551 17.149 0.061 768 HB2 HIS 105 HB2 HIS 105 -3.616 14.838 -1.379 769 HB3 HIS 105 HB3 HIS 105 -1.856 14.903 -1.391 770 HD1 HIS 105 HD1 HIS 105 -1.259 15.898 1.409 771 HD2 HIS 105 HD2 HIS 105 -4.165 13.047 0.577 772 HE1 HIS 105 HE1 HIS 105 -1.582 14.622 3.551 773 H CYS 106 H CYS 106 -3.234 17.496 -3.302 774 HA CYS 106 HA CYS 106 -0.654 17.396 -4.380 775 HB2 CYS 106 HB2 CYS 106 -3.139 17.785 -5.409 776 HB3 CYS 106 HB3 CYS 106 -2.480 19.412 -5.533 777 HG CYS 106 HG CYS 106 -2.262 17.803 -7.946 778 H SER 107 H SER 107 -2.123 19.703 -2.325 779 HA SER 107 HA SER 107 -0.299 21.846 -3.055 780 HB2 SER 107 HB2 SER 107 -1.783 23.223 -2.061 781 HB3 SER 107 HB3 SER 107 -2.856 21.824 -2.018 782 HG SER 107 HG SER 107 -1.264 22.913 0.026 783 H ILE 108 H ILE 108 -0.839 19.576 -0.414 784 HA ILE 108 HA ILE 108 1.146 20.652 1.314 785 HB ILE 108 HB ILE 108 -0.195 17.954 1.224 786 HG12 ILE 108 HG12 ILE 108 -1.079 18.927 3.467 787 HG13 ILE 108 HG13 ILE 108 -0.537 20.474 2.825 788 HG21 ILE 108 HG21 ILE 108 0.816 17.981 3.685 789 HG22 ILE 108 HG22 ILE 108 1.682 17.287 2.315 790 HG23 ILE 108 HG23 ILE 108 2.071 18.915 2.872 791 HD11 ILE 108 HD11 ILE 108 -2.958 19.908 2.466 792 HD12 ILE 108 HD12 ILE 108 -2.052 20.356 1.020 793 HD13 ILE 108 HD13 ILE 108 -2.415 18.661 1.344 794 H LEU 109 H LEU 109 1.122 17.784 -0.802 795 HA LEU 109 HA LEU 109 3.766 17.000 -0.348 796 HB2 LEU 109 HB2 LEU 109 1.985 16.634 -2.747 797 HB3 LEU 109 HB3 LEU 109 3.561 15.863 -2.578 798 HG LEU 109 HG LEU 109 1.117 15.395 -0.873 799 HD11 LEU 109 HD11 LEU 109 2.643 13.488 -2.634 800 HD12 LEU 109 HD12 LEU 109 1.192 14.351 -3.144 801 HD13 LEU 109 HD13 LEU 109 1.111 13.204 -1.806 802 HD21 LEU 109 HD21 LEU 109 2.774 13.501 -0.051 803 HD22 LEU 109 HD22 LEU 109 2.727 15.092 0.711 804 HD23 LEU 109 HD23 LEU 109 3.981 14.716 -0.473 805 H ALA 110 H ALA 110 2.491 19.621 -2.158 806 HA ALA 110 HA ALA 110 4.643 19.969 -3.984 807 HB1 ALA 110 HB1 ALA 110 3.336 21.558 -4.829 808 HB2 ALA 110 HB2 ALA 110 2.150 21.128 -3.596 809 HB3 ALA 110 HB3 ALA 110 3.296 22.435 -3.299 810 H GLU 111 H GLU 111 3.880 21.369 -0.814 811 HA GLU 111 HA GLU 111 6.254 22.990 -0.776 812 HB2 GLU 111 HB2 GLU 111 5.582 23.567 1.498 813 HB3 GLU 111 HB3 GLU 111 4.219 23.698 0.396 814 HG2 GLU 111 HG2 GLU 111 3.067 22.058 1.408 815 HG3 GLU 111 HG3 GLU 111 4.510 21.097 1.730 816 H ASP 112 H ASP 112 5.437 19.768 0.093 817 HA ASP 112 HA ASP 112 7.645 19.427 1.931 818 HB2 ASP 112 HB2 ASP 112 5.618 17.523 0.757 819 HB3 ASP 112 HB3 ASP 112 6.936 16.985 1.795 820 H ALA 113 H ALA 113 7.036 19.055 -1.451 821 HA ALA 113 HA ALA 113 9.142 17.228 -2.025 822 HB1 ALA 113 HB1 ALA 113 7.235 18.848 -3.559 823 HB2 ALA 113 HB2 ALA 113 8.773 18.544 -4.368 824 HB3 ALA 113 HB3 ALA 113 7.785 17.192 -3.814 825 H ILE 114 H ILE 114 8.870 20.758 -2.079 826 HA ILE 114 HA ILE 114 11.468 21.226 -3.122 827 HB ILE 114 HB ILE 114 11.157 23.538 -2.467 828 HG12 ILE 114 HG12 ILE 114 8.748 22.526 -0.942 829 HG13 ILE 114 HG13 ILE 114 10.217 23.198 -0.242 830 HG21 ILE 114 HG21 ILE 114 9.089 24.020 -3.667 831 HG22 ILE 114 HG22 ILE 114 10.001 22.740 -4.466 832 HG23 ILE 114 HG23 ILE 114 8.587 22.339 -3.491 833 HD11 ILE 114 HD11 ILE 114 8.517 24.862 -0.172 834 HD12 ILE 114 HD12 ILE 114 9.697 25.340 -1.393 835 HD13 ILE 114 HD13 ILE 114 8.155 24.641 -1.884 836 H LYS 115 H LYS 115 10.183 20.819 0.114 837 HA LYS 115 HA LYS 115 12.479 21.742 1.507 838 HB2 LYS 115 HB2 LYS 115 10.041 21.339 2.348 839 HB3 LYS 115 HB3 LYS 115 10.599 19.696 2.636 840 HG2 LYS 115 HG2 LYS 115 12.366 21.779 3.693 841 HG3 LYS 115 HG3 LYS 115 10.760 21.731 4.424 842 HD2 LYS 115 HD2 LYS 115 11.244 19.871 5.556 843 HD3 LYS 115 HD3 LYS 115 11.870 19.074 4.110 844 HE2 LYS 115 HE2 LYS 115 14.030 19.825 4.477 845 HE3 LYS 115 HE3 LYS 115 13.500 21.165 5.493 846 HZ1 LYS 115 HZ1 LYS 115 13.084 19.716 7.280 847 HZ2 LYS 115 HZ2 LYS 115 14.590 19.249 6.669 848 HZ3 LYS 115 HZ3 LYS 115 13.213 18.334 6.313 849 H ALA 116 H ALA 116 11.451 18.599 0.301 850 HA ALA 116 HA ALA 116 13.407 17.036 1.592 851 HB1 ALA 116 HB1 ALA 116 11.718 16.640 -0.849 852 HB2 ALA 116 HB2 ALA 116 12.953 15.462 -0.403 853 HB3 ALA 116 HB3 ALA 116 11.634 15.822 0.711 854 H ALA 117 H ALA 117 13.558 19.146 -1.135 855 HA ALA 117 HA ALA 117 15.989 18.011 -2.206 856 HB1 ALA 117 HB1 ALA 117 14.130 19.248 -3.500 857 HB2 ALA 117 HB2 ALA 117 14.930 20.715 -2.932 858 HB3 ALA 117 HB3 ALA 117 15.813 19.558 -3.928 859 H ILE 118 H ILE 118 15.060 20.694 -0.140 860 HA ILE 118 HA ILE 118 17.523 22.060 -0.131 861 HB ILE 118 HB ILE 118 15.388 21.935 2.001 862 HG12 ILE 118 HG12 ILE 118 15.956 23.990 -0.147 863 HG13 ILE 118 HG13 ILE 118 14.630 22.833 -0.164 864 HG21 ILE 118 HG21 ILE 118 16.403 24.032 2.835 865 HG22 ILE 118 HG22 ILE 118 17.464 22.634 3.001 866 HG23 ILE 118 HG23 ILE 118 17.737 23.800 1.706 867 HD11 ILE 118 HD11 ILE 118 13.380 24.310 0.895 868 HD12 ILE 118 HD12 ILE 118 14.469 24.215 2.279 869 HD13 ILE 118 HD13 ILE 118 14.746 25.418 1.020 870 H ALA 119 H ALA 119 16.359 19.282 1.646 871 HA ALA 119 HA ALA 119 18.401 19.262 3.625 872 HB1 ALA 119 HB1 ALA 119 16.062 17.837 3.150 873 HB2 ALA 119 HB2 ALA 119 17.350 16.637 3.035 874 HB3 ALA 119 HB3 ALA 119 17.184 17.616 4.493 875 H ASP 120 H ASP 120 17.973 17.519 0.558 876 HA ASP 120 HA ASP 120 20.277 15.951 0.673 877 HB2 ASP 120 HB2 ASP 120 18.632 15.469 -0.993 878 HB3 ASP 120 HB3 ASP 120 18.763 17.086 -1.680 879 H TYR 121 H TYR 121 19.840 19.306 -0.196 880 HA TYR 121 HA TYR 121 22.353 19.695 -1.444 881 HB2 TYR 121 HB2 TYR 121 20.647 21.309 -1.855 882 HB3 TYR 121 HB3 TYR 121 20.411 21.599 -0.135 883 HD1 TYR 121 HD2 TYR 121 23.400 21.583 -2.387 884 HD2 TYR 121 HD1 TYR 121 21.070 23.723 0.458 885 HE1 TYR 121 HE2 TYR 121 25.001 23.448 -2.488 886 HE2 TYR 121 HE1 TYR 121 22.664 25.594 0.365 887 HH TYR 121 HH TYR 121 25.707 25.354 -0.937 888 H LYS 122 H LYS 122 21.215 20.541 1.828 889 HA LYS 122 HA LYS 122 23.727 21.378 2.788 890 HB2 LYS 122 HB2 LYS 122 21.538 20.211 4.500 891 HB3 LYS 122 HB3 LYS 122 22.734 21.422 4.946 892 HG2 LYS 122 HG2 LYS 122 21.476 22.662 2.888 893 HG3 LYS 122 HG3 LYS 122 20.156 21.723 3.588 894 HD2 LYS 122 HD2 LYS 122 21.970 23.394 5.300 895 HD3 LYS 122 HD3 LYS 122 20.567 24.094 4.490 896 HE2 LYS 122 HE2 LYS 122 19.336 23.418 6.214 897 HE3 LYS 122 HE3 LYS 122 19.625 21.760 5.690 898 HZ1 LYS 122 HZ1 LYS 122 21.331 21.490 7.206 899 HZ2 LYS 122 HZ2 LYS 122 20.220 22.418 8.081 900 HZ3 LYS 122 HZ3 LYS 122 21.583 23.152 7.399 901 H SER 123 H SER 123 22.319 18.247 2.376 902 HA SER 123 HA SER 123 24.111 16.904 4.189 903 HB2 SER 123 HB2 SER 123 22.024 15.830 3.931 904 HB3 SER 123 HB3 SER 123 22.078 15.961 2.173 905 HG SER 123 HG SER 123 22.646 13.897 2.579 906 H LYS 124 H LYS 124 24.182 17.939 0.921 907 HA LYS 124 HA LYS 124 26.235 16.064 0.105 908 HB2 LYS 124 HB2 LYS 124 24.444 17.920 -1.200 909 HB3 LYS 124 HB3 LYS 124 26.093 18.149 -1.769 910 HG2 LYS 124 HG2 LYS 124 25.228 16.585 -3.241 911 HG3 LYS 124 HG3 LYS 124 26.115 15.596 -2.079 912 HD2 LYS 124 HD2 LYS 124 23.840 15.453 -0.843 913 HD3 LYS 124 HD3 LYS 124 23.158 15.958 -2.391 914 HE2 LYS 124 HE2 LYS 124 23.884 14.029 -3.476 915 HE3 LYS 124 HE3 LYS 124 25.082 13.667 -2.235 916 HZ1 LYS 124 HZ1 LYS 124 23.596 12.323 -1.325 917 HZ2 LYS 124 HZ2 LYS 124 22.394 12.809 -2.411 918 HZ3 LYS 124 HZ3 LYS 124 22.625 13.662 -0.969 919 H ARG 125 H ARG 125 26.034 19.199 1.510 920 HA ARG 125 HA ARG 125 28.869 19.714 0.933 921 HB2 ARG 125 HB2 ARG 125 28.399 22.024 1.691 922 HB3 ARG 125 HB3 ARG 125 27.407 21.544 0.320 923 HG2 ARG 125 HG2 ARG 125 25.570 22.038 1.445 924 HG3 ARG 125 HG3 ARG 125 26.016 20.904 2.721 925 HD2 ARG 125 HD2 ARG 125 25.740 23.049 3.725 926 HD3 ARG 125 HD3 ARG 125 27.467 22.693 3.690 927 HE ARG 125 HE ARG 125 26.686 24.168 1.396 928 HH11 ARG 125 HH11 ARG 125 27.336 24.492 4.801 929 HH12 ARG 125 HH12 ARG 125 27.799 26.157 4.687 930 HH21 ARG 125 HH21 ARG 125 27.293 26.361 1.233 931 HH22 ARG 125 HH22 ARG 125 27.773 27.220 2.657 932 H GLU 126 H GLU 126 26.810 18.567 3.335 933 HA GLU 126 HA GLU 126 27.808 19.570 5.705 934 HB2 GLU 126 HB2 GLU 126 27.015 17.555 6.766 935 HB3 GLU 126 HB3 GLU 126 25.883 18.013 5.501 936 HG2 GLU 126 HG2 GLU 126 26.011 15.849 4.948 937 HG3 GLU 126 HG3 GLU 126 27.490 16.345 4.125 938 H ALA 127 H ALA 127 29.190 17.158 3.566 939 HA ALA 127 HA ALA 127 31.623 17.174 5.227 940 HB1 ALA 127 HB1 ALA 127 31.868 14.772 4.120 941 HB2 ALA 127 HB2 ALA 127 31.006 15.025 5.638 942 HB3 ALA 127 HB3 ALA 127 30.107 14.875 4.129 943 H LYS 128 H LYS 128 33.215 18.128 4.158 944 HA LYS 128 HA LYS 128 33.884 17.343 1.475 945 HB2 LYS 128 HB2 LYS 128 32.142 19.069 1.089 946 HB3 LYS 128 HB3 LYS 128 33.118 20.223 1.987 947 HG2 LYS 128 HG2 LYS 128 34.935 19.476 0.193 948 HG3 LYS 128 HG3 LYS 128 33.477 19.150 -0.745 949 HD2 LYS 128 HD2 LYS 128 32.965 21.617 0.363 950 HD3 LYS 128 HD3 LYS 128 34.693 21.692 0.008 951 HE2 LYS 128 HE2 LYS 128 34.345 21.278 -2.282 952 HE3 LYS 128 HE3 LYS 128 32.691 20.730 -2.015 953 HZ1 LYS 128 HZ1 LYS 128 32.663 23.259 -1.053 954 HZ2 LYS 128 HZ2 LYS 128 32.129 22.794 -2.589 955 HZ3 LYS 128 HZ3 LYS 128 33.697 23.395 -2.386 Start of MODEL 12 1 H1 MET 1 H MET 1 34.669 11.049 -7.529 2 HA MET 1 HA MET 1 32.414 10.885 -9.282 3 HB2 MET 1 HB2 MET 1 34.047 8.849 -7.785 4 HB3 MET 1 HB3 MET 1 32.609 8.388 -8.686 5 HG2 MET 1 HG2 MET 1 34.147 9.981 -10.411 6 HG3 MET 1 HG3 MET 1 35.262 8.864 -9.628 7 HE1 MET 1 HE1 MET 1 33.661 8.145 -13.337 8 HE2 MET 1 HE2 MET 1 34.663 9.310 -12.472 9 HE3 MET 1 HE3 MET 1 35.266 7.679 -12.772 10 H ALA 2 H ALA 2 32.916 9.717 -5.945 11 HA ALA 2 HA ALA 2 31.463 9.342 -4.232 12 HB1 ALA 2 HB1 ALA 2 29.593 11.014 -4.019 13 HB2 ALA 2 HB2 ALA 2 31.214 11.698 -4.155 14 HB3 ALA 2 HB3 ALA 2 30.137 11.699 -5.551 15 H TYR 3 H TYR 3 31.024 7.277 -5.409 16 HA TYR 3 HA TYR 3 28.545 7.063 -6.856 17 HB2 TYR 3 HB2 TYR 3 30.681 5.629 -7.145 18 HB3 TYR 3 HB3 TYR 3 30.090 4.731 -5.751 19 HD1 TYR 3 HD2 TYR 3 29.242 5.746 -9.214 20 HD2 TYR 3 HD1 TYR 3 28.391 3.111 -5.984 21 HE1 TYR 3 HE2 TYR 3 27.807 4.405 -10.694 22 HE2 TYR 3 HE1 TYR 3 26.954 1.762 -7.455 23 HH TYR 3 HH TYR 3 26.951 1.443 -10.234 24 H SER 4 H SER 4 26.631 7.041 -5.902 25 HA SER 4 HA SER 4 25.923 5.254 -3.851 26 HB2 SER 4 HB2 SER 4 25.360 7.126 -2.141 27 HB3 SER 4 HB3 SER 4 27.020 6.539 -2.230 28 HG SER 4 HG SER 4 26.288 8.997 -2.421 29 H GLU 5 H GLU 5 24.609 5.348 -5.998 30 HA GLU 5 HA GLU 5 22.152 6.826 -5.390 31 HB2 GLU 5 HB2 GLU 5 21.903 7.249 -7.882 32 HB3 GLU 5 HB3 GLU 5 23.104 8.221 -7.044 33 HG2 GLU 5 HG2 GLU 5 24.694 7.515 -8.402 34 HG3 GLU 5 HG3 GLU 5 24.332 5.833 -8.018 35 H LYS 6 H LYS 6 20.398 5.581 -5.496 36 HA LYS 6 HA LYS 6 20.660 2.832 -6.332 37 HB2 LYS 6 HB2 LYS 6 18.500 4.450 -5.018 38 HB3 LYS 6 HB3 LYS 6 18.140 2.856 -5.670 39 HG2 LYS 6 HG2 LYS 6 19.431 1.774 -4.109 40 HG3 LYS 6 HG3 LYS 6 20.456 3.182 -3.823 41 HD2 LYS 6 HD2 LYS 6 19.209 3.224 -1.909 42 HD3 LYS 6 HD3 LYS 6 18.178 4.210 -2.949 43 HE2 LYS 6 HE2 LYS 6 17.689 1.317 -3.102 44 HE3 LYS 6 HE3 LYS 6 17.340 2.044 -1.534 45 HZ1 LYS 6 HZ1 LYS 6 16.200 3.801 -3.190 46 HZ2 LYS 6 HZ2 LYS 6 15.379 2.499 -2.490 47 HZ3 LYS 6 HZ3 LYS 6 15.976 2.371 -4.067 48 H VAL 7 H VAL 7 20.452 2.260 -8.387 49 HA VAL 7 HA VAL 7 19.304 3.898 -10.385 50 HB VAL 7 HB VAL 7 21.040 2.233 -10.885 51 HG11 VAL 7 HG11 VAL 7 19.720 0.528 -9.312 52 HG12 VAL 7 HG12 VAL 7 19.097 0.000 -10.876 53 HG13 VAL 7 HG13 VAL 7 20.834 -0.004 -10.570 54 HG21 VAL 7 HG21 VAL 7 18.570 1.475 -12.414 55 HG22 VAL 7 HG22 VAL 7 19.316 3.065 -12.580 56 HG23 VAL 7 HG23 VAL 7 20.228 1.614 -12.997 57 H ILE 8 H ILE 8 17.289 4.036 -11.167 58 HA ILE 8 HA ILE 8 15.230 2.373 -9.916 59 HB ILE 8 HB ILE 8 13.624 4.016 -10.815 60 HG12 ILE 8 HG12 ILE 8 15.526 6.093 -11.461 61 HG13 ILE 8 HG13 ILE 8 15.762 4.697 -12.507 62 HG21 ILE 8 HG21 ILE 8 15.832 5.431 -9.341 63 HG22 ILE 8 HG22 ILE 8 14.098 5.738 -9.259 64 HG23 ILE 8 HG23 ILE 8 14.764 4.253 -8.579 65 HD11 ILE 8 HD11 ILE 8 13.975 5.217 -13.701 66 HD12 ILE 8 HD12 ILE 8 12.967 5.318 -12.257 67 HD13 ILE 8 HD13 ILE 8 13.884 6.726 -12.793 68 H ASP 9 H ASP 9 13.751 1.178 -11.083 69 HA ASP 9 HA ASP 9 14.035 1.070 -13.991 70 HB2 ASP 9 HB2 ASP 9 15.081 -0.914 -12.208 71 HB3 ASP 9 HB3 ASP 9 13.750 -1.616 -13.124 72 H HIS 10 H HIS 10 11.992 1.908 -14.261 73 HA HIS 10 HA HIS 10 9.815 0.048 -13.847 74 HB2 HIS 10 HB2 HIS 10 10.103 1.651 -11.782 75 HB3 HIS 10 HB3 HIS 10 9.326 2.825 -12.840 76 HD1 HIS 10 HD1 HIS 10 7.346 2.766 -11.064 77 HD2 HIS 10 HD2 HIS 10 7.938 -0.738 -13.218 78 HE1 HIS 10 HE1 HIS 10 5.248 1.416 -10.743 79 H TYR 11 H TYR 11 11.068 0.946 -16.178 80 HA TYR 11 HA TYR 11 10.615 1.766 -18.250 81 HB2 TYR 11 HB2 TYR 11 8.539 0.415 -17.877 82 HB3 TYR 11 HB3 TYR 11 7.747 1.876 -17.295 83 HD1 TYR 11 HD2 TYR 11 9.344 0.337 -20.264 84 HD2 TYR 11 HD1 TYR 11 6.828 3.442 -18.804 85 HE1 TYR 11 HE2 TYR 11 8.726 0.914 -22.574 86 HE2 TYR 11 HE1 TYR 11 6.202 4.026 -21.110 87 HH TYR 11 HH TYR 11 6.125 2.775 -23.369 88 H GLU 12 H GLU 12 11.792 3.699 -17.639 89 HA GLU 12 HA GLU 12 10.648 5.997 -16.551 90 HB2 GLU 12 HB2 GLU 12 12.517 7.215 -17.639 91 HB3 GLU 12 HB3 GLU 12 13.043 5.785 -16.761 92 HG2 GLU 12 HG2 GLU 12 13.302 4.553 -18.796 93 HG3 GLU 12 HG3 GLU 12 12.588 5.865 -19.733 94 H ASN 13 H ASN 13 10.640 8.133 -17.959 95 HA ASN 13 HA ASN 13 9.540 7.844 -20.598 96 HB2 ASN 13 HB2 ASN 13 7.624 7.313 -19.001 97 HB3 ASN 13 HB3 ASN 13 7.705 9.000 -18.500 98 HD21 ASN 13 HD21 ASN 13 7.454 6.990 -21.404 99 HD22 ASN 13 HD22 ASN 13 6.394 8.054 -22.259 100 HA PRO 14 HA PRO 14 11.676 11.858 -19.548 101 HB2 PRO 14 HB2 PRO 14 13.492 11.708 -21.561 102 HB3 PRO 14 HB3 PRO 14 13.760 10.988 -19.969 103 HG2 PRO 14 HG2 PRO 14 12.849 9.688 -22.508 104 HG3 PRO 14 HG3 PRO 14 14.027 9.110 -21.315 105 HD2 PRO 14 HD2 PRO 14 11.476 8.207 -21.399 106 HD3 PRO 14 HD3 PRO 14 12.391 8.344 -19.884 107 H ARG 15 H ARG 15 9.635 12.757 -20.278 108 HA ARG 15 HA ARG 15 9.556 13.352 -23.159 109 HB2 ARG 15 HB2 ARG 15 7.497 12.759 -21.164 110 HB3 ARG 15 HB3 ARG 15 7.136 14.180 -22.135 111 HG2 ARG 15 HG2 ARG 15 7.978 11.626 -23.440 112 HG3 ARG 15 HG3 ARG 15 6.308 11.871 -22.925 113 HD2 ARG 15 HD2 ARG 15 6.642 14.161 -24.218 114 HD3 ARG 15 HD3 ARG 15 7.856 13.212 -25.076 115 HE ARG 15 HE ARG 15 5.017 12.988 -25.312 116 HH11 ARG 15 HH11 ARG 15 8.011 11.224 -25.523 117 HH12 ARG 15 HH12 ARG 15 7.384 10.032 -26.612 118 HH21 ARG 15 HH21 ARG 15 4.179 11.425 -26.746 119 HH22 ARG 15 HH22 ARG 15 5.204 10.148 -27.308 120 H ASN 16 H ASN 16 9.665 14.736 -19.962 121 HA ASN 16 HA ASN 16 9.489 17.444 -21.074 122 HB2 ASN 16 HB2 ASN 16 8.163 16.600 -18.985 123 HB3 ASN 16 HB3 ASN 16 9.688 16.853 -18.140 124 HD21 ASN 16 HD21 ASN 16 9.273 18.597 -16.943 125 HD22 ASN 16 HD22 ASN 16 8.757 20.125 -17.562 126 H VAL 17 H VAL 17 11.587 15.347 -19.153 127 HA VAL 17 HA VAL 17 13.829 15.390 -18.753 128 HB VAL 17 HB VAL 17 13.919 17.458 -20.955 129 HG11 VAL 17 HG11 VAL 17 16.284 16.612 -21.176 130 HG12 VAL 17 HG12 VAL 17 15.948 17.568 -19.731 131 HG13 VAL 17 HG13 VAL 17 16.056 15.811 -19.622 132 HG21 VAL 17 HG21 VAL 17 14.890 14.921 -21.775 133 HG22 VAL 17 HG22 VAL 17 13.300 14.687 -21.048 134 HG23 VAL 17 HG23 VAL 17 13.499 15.815 -22.388 135 H GLY 18 H GLY 18 15.323 16.499 -17.482 136 HA2 GLY 18 HA2 GLY 18 15.849 19.038 -16.972 137 HA3 GLY 18 HA3 GLY 18 14.255 18.919 -16.241 138 H SER 19 H SER 19 14.569 16.219 -15.295 139 HA SER 19 HA SER 19 15.638 16.712 -12.760 140 HB2 SER 19 HB2 SER 19 15.427 14.281 -12.395 141 HB3 SER 19 HB3 SER 19 13.992 14.943 -13.179 142 HG SER 19 HG SER 19 16.018 13.315 -14.246 143 H PHE 20 H PHE 20 17.320 14.949 -11.871 144 HA PHE 20 HA PHE 20 19.573 14.566 -13.646 145 HB2 PHE 20 HB2 PHE 20 19.432 16.853 -11.912 146 HB3 PHE 20 HB3 PHE 20 20.735 15.795 -11.381 147 HD1 PHE 20 HD2 PHE 20 22.659 15.385 -12.789 148 HD2 PHE 20 HD1 PHE 20 19.510 17.952 -14.059 149 HE1 PHE 20 HE2 PHE 20 24.105 16.272 -14.570 150 HE2 PHE 20 HE1 PHE 20 20.952 18.843 -15.843 151 HZ PHE 20 HZ PHE 20 23.253 18.004 -16.100 152 H ASP 21 H ASP 21 19.347 12.379 -13.211 153 HA ASP 21 HA ASP 21 18.987 11.146 -10.769 154 HB2 ASP 21 HB2 ASP 21 20.415 10.279 -13.270 155 HB3 ASP 21 HB3 ASP 21 20.345 9.229 -11.857 156 H ASN 22 H ASN 22 21.873 12.572 -12.110 157 HA ASN 22 HA ASN 22 23.553 11.472 -10.002 158 HB2 ASN 22 HB2 ASN 22 24.571 11.552 -12.173 159 HB3 ASN 22 HB3 ASN 22 24.148 13.249 -12.372 160 HD21 ASN 22 HD21 ASN 22 25.663 14.676 -11.934 161 HD22 ASN 22 HD22 ASN 22 27.072 14.398 -10.973 162 H ASN 23 H ASN 23 22.505 12.504 -8.220 163 HA ASN 23 HA ASN 23 22.090 15.242 -7.932 164 HB2 ASN 23 HB2 ASN 23 22.712 13.121 -5.871 165 HB3 ASN 23 HB3 ASN 23 22.252 14.769 -5.455 166 HD21 ASN 23 HD21 ASN 23 20.972 12.067 -5.095 167 HD22 ASN 23 HD22 ASN 23 19.364 12.275 -5.691 168 H ASP 24 H ASP 24 23.363 16.943 -7.498 169 HA ASP 24 HA ASP 24 26.244 16.452 -7.283 170 HB2 ASP 24 HB2 ASP 24 24.587 18.510 -8.527 171 HB3 ASP 24 HB3 ASP 24 25.901 19.185 -7.567 172 H GLU 25 H GLU 25 27.417 18.248 -5.982 173 HA GLU 25 HA GLU 25 26.523 18.018 -3.278 174 HB2 GLU 25 HB2 GLU 25 28.533 19.429 -2.778 175 HB3 GLU 25 HB3 GLU 25 28.880 17.963 -3.684 176 HG2 GLU 25 HG2 GLU 25 28.382 20.025 -5.555 177 HG3 GLU 25 HG3 GLU 25 29.496 20.653 -4.342 178 H ASN 26 H ASN 26 26.299 20.442 -5.755 179 HA ASN 26 HA ASN 26 25.312 22.421 -3.832 180 HB2 ASN 26 HB2 ASN 26 25.346 23.936 -5.890 181 HB3 ASN 26 HB3 ASN 26 26.907 23.390 -5.285 182 HD21 ASN 26 HD21 ASN 26 27.654 23.941 -7.428 183 HD22 ASN 26 HD22 ASN 26 27.470 22.797 -8.710 184 H VAL 27 H VAL 27 24.259 20.229 -6.266 185 HA VAL 27 HA VAL 27 21.686 21.540 -6.621 186 HB VAL 27 HB VAL 27 22.730 18.937 -7.746 187 HG11 VAL 27 HG11 VAL 27 20.607 19.971 -9.287 188 HG12 VAL 27 HG12 VAL 27 20.639 18.482 -8.340 189 HG13 VAL 27 HG13 VAL 27 20.075 19.983 -7.606 190 HG21 VAL 27 HG21 VAL 27 23.565 21.417 -8.407 191 HG22 VAL 27 HG22 VAL 27 23.506 20.066 -9.539 192 HG23 VAL 27 HG23 VAL 27 22.192 21.242 -9.500 193 H GLY 28 H GLY 28 19.864 21.020 -5.573 194 HA2 GLY 28 HA2 GLY 28 19.973 18.713 -3.737 195 HA3 GLY 28 HA3 GLY 28 19.007 20.158 -3.475 196 H SER 29 H SER 29 18.348 17.220 -3.665 197 HA SER 29 HA SER 29 16.172 17.514 -5.625 198 HB2 SER 29 HB2 SER 29 16.383 15.073 -6.107 199 HB3 SER 29 HB3 SER 29 17.791 16.007 -6.613 200 HG SER 29 HG SER 29 18.709 15.371 -4.517 201 H GLY 30 H GLY 30 14.197 16.586 -5.072 202 HA2 GLY 30 HA2 GLY 30 13.976 15.214 -2.503 203 HA3 GLY 30 HA3 GLY 30 13.147 16.756 -2.650 204 H MET 31 H MET 31 12.367 13.759 -2.447 205 HA MET 31 HA MET 31 10.271 13.931 -4.502 206 HB2 MET 31 HB2 MET 31 11.845 12.300 -5.314 207 HB3 MET 31 HB3 MET 31 11.892 11.495 -3.752 208 HG2 MET 31 HG2 MET 31 9.197 11.624 -4.748 209 HG3 MET 31 HG3 MET 31 10.271 10.882 -5.931 210 HE1 MET 31 HE1 MET 31 8.095 8.728 -2.980 211 HE2 MET 31 HE2 MET 31 8.641 10.201 -2.178 212 HE3 MET 31 HE3 MET 31 7.840 10.296 -3.747 213 H VAL 32 H VAL 32 8.250 13.542 -3.799 214 HA VAL 32 HA VAL 32 7.885 12.255 -1.186 215 HB VAL 32 HB VAL 32 6.234 13.915 -0.512 216 HG11 VAL 32 HG11 VAL 32 8.786 15.311 -1.299 217 HG12 VAL 32 HG12 VAL 32 7.725 15.694 0.058 218 HG13 VAL 32 HG13 VAL 32 8.653 14.193 0.058 219 HG21 VAL 32 HG21 VAL 32 5.945 15.995 -1.770 220 HG22 VAL 32 HG22 VAL 32 7.011 15.381 -3.033 221 HG23 VAL 32 HG23 VAL 32 5.464 14.592 -2.726 222 H GLY 33 H GLY 33 5.890 11.212 -0.889 223 HA2 GLY 33 HA2 GLY 33 3.915 11.261 -3.009 224 HA3 GLY 33 HA3 GLY 33 4.812 9.756 -2.879 225 H ALA 34 H ALA 34 2.427 9.128 -2.553 226 HA ALA 34 HA ALA 34 2.075 8.660 0.280 227 HB1 ALA 34 HB1 ALA 34 0.623 10.309 0.621 228 HB2 ALA 34 HB2 ALA 34 0.551 10.692 -1.099 229 HB3 ALA 34 HB3 ALA 34 -0.494 9.439 -0.430 230 HA PRO 35 HA PRO 35 0.504 4.832 -1.199 231 HB2 PRO 35 HB2 PRO 35 -1.049 4.097 0.903 232 HB3 PRO 35 HB3 PRO 35 0.718 4.065 0.957 233 HG2 PRO 35 HG2 PRO 35 -1.173 6.130 2.017 234 HG3 PRO 35 HG3 PRO 35 0.282 5.452 2.772 235 HD2 PRO 35 HD2 PRO 35 0.266 7.866 1.546 236 HD3 PRO 35 HD3 PRO 35 1.695 6.813 1.563 237 H ALA 36 H ALA 36 -1.998 6.811 0.405 238 HA ALA 36 HA ALA 36 -4.093 5.677 -1.213 239 HB1 ALA 36 HB1 ALA 36 -5.285 7.782 -0.039 240 HB2 ALA 36 HB2 ALA 36 -5.045 6.226 0.758 241 HB3 ALA 36 HB3 ALA 36 -3.921 7.553 1.056 242 H CYS 37 H CYS 37 -1.977 8.400 -1.390 243 HA CYS 37 HA CYS 37 -3.596 9.942 -3.187 244 HB2 CYS 37 HB2 CYS 37 -1.738 10.789 -1.612 245 HB3 CYS 37 HB3 CYS 37 -0.620 10.239 -2.854 246 HG CYS 37 HG CYS 37 -1.084 12.114 -4.638 247 H GLY 38 H GLY 38 -1.193 7.441 -3.484 248 HA2 GLY 38 HA2 GLY 38 -0.285 6.378 -5.308 249 HA3 GLY 38 HA3 GLY 38 -1.841 6.696 -6.060 250 H ALA 39 H ALA 39 1.005 8.646 -5.147 251 HA ALA 39 HA ALA 39 1.607 9.290 -7.865 252 HB1 ALA 39 HB1 ALA 39 0.808 11.409 -8.092 253 HB2 ALA 39 HB2 ALA 39 -0.448 10.750 -7.043 254 HB3 ALA 39 HB3 ALA 39 0.848 11.731 -6.359 255 H VAL 40 H VAL 40 3.283 11.164 -7.902 256 HA VAL 40 HA VAL 40 4.849 11.370 -5.462 257 HB VAL 40 HB VAL 40 6.946 10.705 -6.759 258 HG11 VAL 40 HG11 VAL 40 5.641 9.376 -4.969 259 HG12 VAL 40 HG12 VAL 40 5.119 8.372 -6.323 260 HG13 VAL 40 HG13 VAL 40 6.836 8.529 -5.952 261 HG21 VAL 40 HG21 VAL 40 6.699 9.216 -8.622 262 HG22 VAL 40 HG22 VAL 40 4.942 9.247 -8.477 263 HG23 VAL 40 HG23 VAL 40 5.811 10.697 -8.978 264 H MET 41 H MET 41 6.093 13.192 -5.376 265 HA MET 41 HA MET 41 6.088 14.901 -7.778 266 HB2 MET 41 HB2 MET 41 5.755 15.660 -4.876 267 HB3 MET 41 HB3 MET 41 6.106 16.831 -6.140 268 HG2 MET 41 HG2 MET 41 3.807 15.043 -6.606 269 HG3 MET 41 HG3 MET 41 3.634 16.237 -5.322 270 HE1 MET 41 HE1 MET 41 3.025 19.470 -7.022 271 HE2 MET 41 HE2 MET 41 2.443 18.320 -5.818 272 HE3 MET 41 HE3 MET 41 4.111 18.893 -5.758 273 H LYS 42 H LYS 42 8.091 14.825 -8.578 274 HA LYS 42 HA LYS 42 10.367 14.887 -6.723 275 HB2 LYS 42 HB2 LYS 42 10.314 14.229 -9.674 276 HB3 LYS 42 HB3 LYS 42 11.718 14.126 -8.620 277 HG2 LYS 42 HG2 LYS 42 10.410 12.446 -7.258 278 HG3 LYS 42 HG3 LYS 42 9.245 12.423 -8.583 279 HD2 LYS 42 HD2 LYS 42 10.712 10.619 -8.989 280 HD3 LYS 42 HD3 LYS 42 11.203 11.893 -10.107 281 HE2 LYS 42 HE2 LYS 42 13.217 12.112 -9.149 282 HE3 LYS 42 HE3 LYS 42 12.553 12.017 -7.519 283 HZ1 LYS 42 HZ1 LYS 42 12.860 9.630 -9.243 284 HZ2 LYS 42 HZ2 LYS 42 12.604 9.685 -7.572 285 HZ3 LYS 42 HZ3 LYS 42 14.093 10.166 -8.215 286 H LEU 43 H LEU 43 11.385 16.747 -6.421 287 HA LEU 43 HA LEU 43 11.441 18.706 -8.615 288 HB2 LEU 43 HB2 LEU 43 10.144 18.978 -6.107 289 HB3 LEU 43 HB3 LEU 43 11.536 20.059 -6.112 290 HG LEU 43 HG LEU 43 10.499 20.725 -8.478 291 HD11 LEU 43 HD11 LEU 43 8.654 19.020 -8.091 292 HD12 LEU 43 HD12 LEU 43 8.154 20.646 -8.555 293 HD13 LEU 43 HD13 LEU 43 8.031 20.133 -6.873 294 HD21 LEU 43 HD21 LEU 43 10.324 22.676 -7.433 295 HD22 LEU 43 HD22 LEU 43 10.637 21.834 -5.915 296 HD23 LEU 43 HD23 LEU 43 8.978 22.092 -6.455 297 H GLN 44 H GLN 44 13.329 19.848 -8.868 298 HA GLN 44 HA GLN 44 15.509 19.273 -6.982 299 HB2 GLN 44 HB2 GLN 44 15.304 18.389 -9.699 300 HB3 GLN 44 HB3 GLN 44 16.634 19.533 -9.570 301 HG2 GLN 44 HG2 GLN 44 17.791 18.207 -8.050 302 HG3 GLN 44 HG3 GLN 44 16.358 17.267 -7.636 303 HE21 GLN 44 HE21 GLN 44 18.948 16.308 -8.463 304 HE22 GLN 44 HE22 GLN 44 18.701 15.393 -9.908 305 H ILE 45 H ILE 45 16.944 20.923 -6.616 306 HA ILE 45 HA ILE 45 16.523 23.426 -8.103 307 HB ILE 45 HB ILE 45 16.398 24.745 -6.196 308 HG12 ILE 45 HG12 ILE 45 18.325 23.816 -5.017 309 HG13 ILE 45 HG13 ILE 45 16.953 23.957 -3.924 310 HG21 ILE 45 HG21 ILE 45 14.354 23.458 -6.499 311 HG22 ILE 45 HG22 ILE 45 14.987 22.185 -5.457 312 HG23 ILE 45 HG23 ILE 45 14.641 23.780 -4.789 313 HD11 ILE 45 HD11 ILE 45 16.501 21.523 -4.372 314 HD12 ILE 45 HD12 ILE 45 18.069 21.472 -5.178 315 HD13 ILE 45 HD13 ILE 45 17.970 21.886 -3.467 316 H LYS 46 H LYS 46 18.325 25.042 -7.546 317 HA LYS 46 HA LYS 46 20.887 23.649 -7.173 318 HB2 LYS 46 HB2 LYS 46 20.618 23.958 -9.559 319 HB3 LYS 46 HB3 LYS 46 20.215 25.655 -9.332 320 HG2 LYS 46 HG2 LYS 46 22.501 25.355 -10.136 321 HG3 LYS 46 HG3 LYS 46 22.461 26.111 -8.541 322 HD2 LYS 46 HD2 LYS 46 23.711 24.480 -7.691 323 HD3 LYS 46 HD3 LYS 46 22.567 23.260 -8.257 324 HE2 LYS 46 HE2 LYS 46 24.866 22.946 -9.134 325 HE3 LYS 46 HE3 LYS 46 23.653 23.154 -10.397 326 HZ1 LYS 46 HZ1 LYS 46 24.353 25.366 -10.765 327 HZ2 LYS 46 HZ2 LYS 46 25.762 24.431 -10.714 328 HZ3 LYS 46 HZ3 LYS 46 25.328 25.379 -9.382 329 H VAL 47 H VAL 47 21.852 24.486 -5.453 330 HA VAL 47 HA VAL 47 21.460 27.345 -4.859 331 HB VAL 47 HB VAL 47 22.309 25.158 -2.955 332 HG11 VAL 47 HG11 VAL 47 21.691 26.948 -1.258 333 HG12 VAL 47 HG12 VAL 47 23.187 27.193 -2.161 334 HG13 VAL 47 HG13 VAL 47 21.732 28.087 -2.604 335 HG21 VAL 47 HG21 VAL 47 19.963 24.958 -3.784 336 HG22 VAL 47 HG22 VAL 47 20.095 25.226 -2.046 337 HG23 VAL 47 HG23 VAL 47 19.644 26.557 -3.111 338 H ASN 48 H ASN 48 23.227 28.630 -4.314 339 HA ASN 48 HA ASN 48 25.805 27.589 -5.249 340 HB2 ASN 48 HB2 ASN 48 25.814 30.426 -4.729 341 HB3 ASN 48 HB3 ASN 48 26.084 29.574 -6.246 342 HD21 ASN 48 HD21 ASN 48 24.137 31.723 -4.664 343 HD22 ASN 48 HD22 ASN 48 22.743 31.639 -5.682 344 H ASP 49 H ASP 49 27.558 29.318 -4.091 345 HA ASP 49 HA ASP 49 27.845 28.216 -1.483 346 HB2 ASP 49 HB2 ASP 49 29.442 29.790 -3.321 347 HB3 ASP 49 HB3 ASP 49 29.599 30.386 -1.671 348 H GLU 50 H GLU 50 26.049 30.799 -2.641 349 HA GLU 50 HA GLU 50 26.259 32.414 -0.235 350 HB2 GLU 50 HB2 GLU 50 25.229 32.775 -2.941 351 HB3 GLU 50 HB3 GLU 50 24.141 33.411 -1.716 352 HG2 GLU 50 HG2 GLU 50 25.892 34.983 -2.697 353 HG3 GLU 50 HG3 GLU 50 25.702 34.949 -0.945 354 H GLY 51 H GLY 51 24.408 29.804 -1.388 355 HA2 GLY 51 HA2 GLY 51 22.831 28.572 -0.199 356 HA3 GLY 51 HA3 GLY 51 22.773 29.855 1.001 357 H ILE 52 H ILE 52 22.346 30.456 -2.416 358 HA ILE 52 HA ILE 52 19.479 30.932 -1.927 359 HB ILE 52 HB ILE 52 21.329 32.573 -3.662 360 HG12 ILE 52 HG12 ILE 52 21.637 33.076 -1.311 361 HG13 ILE 52 HG13 ILE 52 20.749 34.394 -2.069 362 HG21 ILE 52 HG21 ILE 52 19.340 32.686 -4.815 363 HG22 ILE 52 HG22 ILE 52 18.362 32.507 -3.359 364 HG23 ILE 52 HG23 ILE 52 19.167 34.039 -3.698 365 HD11 ILE 52 HD11 ILE 52 19.357 34.197 -0.346 366 HD12 ILE 52 HD12 ILE 52 18.743 32.766 -1.174 367 HD13 ILE 52 HD13 ILE 52 19.968 32.599 0.083 368 H ILE 53 H ILE 53 18.047 30.373 -3.539 369 HA ILE 53 HA ILE 53 18.896 28.320 -5.331 370 HB ILE 53 HB ILE 53 16.235 29.730 -5.104 371 HG12 ILE 53 HG12 ILE 53 16.981 28.433 -3.103 372 HG13 ILE 53 HG13 ILE 53 15.519 27.795 -3.848 373 HG21 ILE 53 HG21 ILE 53 16.393 28.808 -7.298 374 HG22 ILE 53 HG22 ILE 53 17.056 27.297 -6.677 375 HG23 ILE 53 HG23 ILE 53 15.379 27.729 -6.340 376 HD11 ILE 53 HD11 ILE 53 18.009 26.608 -4.830 377 HD12 ILE 53 HD12 ILE 53 17.660 26.311 -3.126 378 HD13 ILE 53 HD13 ILE 53 16.488 25.848 -4.360 379 H GLU 54 H GLU 54 19.795 28.613 -7.251 380 HA GLU 54 HA GLU 54 19.291 31.132 -8.683 381 HB2 GLU 54 HB2 GLU 54 21.610 30.911 -8.320 382 HB3 GLU 54 HB3 GLU 54 21.595 29.198 -8.715 383 HG2 GLU 54 HG2 GLU 54 21.495 29.587 -10.991 384 HG3 GLU 54 HG3 GLU 54 20.872 31.223 -10.786 385 H ASP 55 H ASP 55 18.952 27.694 -8.844 386 HA ASP 55 HA ASP 55 17.494 27.974 -11.360 387 HB2 ASP 55 HB2 ASP 55 20.056 26.628 -11.071 388 HB3 ASP 55 HB3 ASP 55 18.807 25.539 -11.668 389 H ALA 56 H ALA 56 15.941 26.339 -11.728 390 HA ALA 56 HA ALA 56 15.538 24.346 -9.638 391 HB1 ALA 56 HB1 ALA 56 13.505 25.083 -8.880 392 HB2 ALA 56 HB2 ALA 56 14.317 26.622 -9.170 393 HB3 ALA 56 HB3 ALA 56 13.164 25.998 -10.349 394 H ARG 57 H ARG 57 15.091 22.476 -10.585 395 HA ARG 57 HA ARG 57 13.845 22.513 -13.252 396 HB2 ARG 57 HB2 ARG 57 16.129 21.116 -12.191 397 HB3 ARG 57 HB3 ARG 57 14.929 19.960 -12.753 398 HG2 ARG 57 HG2 ARG 57 15.377 20.386 -14.888 399 HG3 ARG 57 HG3 ARG 57 15.328 22.131 -14.634 400 HD2 ARG 57 HD2 ARG 57 17.671 20.522 -13.697 401 HD3 ARG 57 HD3 ARG 57 17.544 21.016 -15.385 402 HE ARG 57 HE ARG 57 17.148 23.229 -13.662 403 HH11 ARG 57 HH11 ARG 57 19.626 21.133 -14.922 404 HH12 ARG 57 HH12 ARG 57 20.883 22.317 -14.778 405 HH21 ARG 57 HH21 ARG 57 18.794 24.796 -13.468 406 HH22 ARG 57 HH22 ARG 57 20.409 24.399 -13.950 407 H PHE 58 H PHE 58 12.706 20.306 -13.701 408 HA PHE 58 HA PHE 58 11.419 19.063 -11.462 409 HB2 PHE 58 HB2 PHE 58 10.073 21.060 -11.477 410 HB3 PHE 58 HB3 PHE 58 9.844 20.951 -13.219 411 HD1 PHE 58 HD2 PHE 58 9.210 19.015 -10.100 412 HD2 PHE 58 HD1 PHE 58 7.918 19.991 -14.036 413 HE1 PHE 58 HE2 PHE 58 7.151 17.717 -9.742 414 HE2 PHE 58 HE1 PHE 58 5.856 18.696 -13.684 415 HZ PHE 58 HZ PHE 58 5.471 17.556 -11.535 416 H LYS 59 H LYS 59 10.252 17.206 -12.034 417 HA LYS 59 HA LYS 59 10.187 16.506 -14.881 418 HB2 LYS 59 HB2 LYS 59 12.071 15.480 -13.059 419 HB3 LYS 59 HB3 LYS 59 10.894 14.197 -13.307 420 HG2 LYS 59 HG2 LYS 59 11.560 15.356 -15.829 421 HG3 LYS 59 HG3 LYS 59 13.041 14.933 -14.967 422 HD2 LYS 59 HD2 LYS 59 12.584 12.699 -15.003 423 HD3 LYS 59 HD3 LYS 59 10.837 12.945 -14.965 424 HE2 LYS 59 HE2 LYS 59 11.569 14.034 -17.383 425 HE3 LYS 59 HE3 LYS 59 12.642 12.643 -17.236 426 HZ1 LYS 59 HZ1 LYS 59 10.934 11.193 -17.379 427 HZ2 LYS 59 HZ2 LYS 59 10.202 12.465 -18.221 428 HZ3 LYS 59 HZ3 LYS 59 9.834 12.208 -16.589 429 H THR 60 H THR 60 8.422 15.375 -15.491 430 HA THR 60 HA THR 60 6.267 15.110 -13.625 431 HB THR 60 HB THR 60 5.103 14.011 -15.626 432 HG1 THR 60 HG1 THR 60 6.154 14.085 -17.563 433 HG21 THR 60 HG21 THR 60 5.876 16.764 -15.161 434 HG22 THR 60 HG22 THR 60 4.330 16.106 -15.696 435 HG23 THR 60 HG23 THR 60 5.597 16.450 -16.873 436 H TYR 61 H TYR 61 5.306 13.260 -12.838 437 HA TYR 61 HA TYR 61 6.133 10.636 -13.593 438 HB2 TYR 61 HB2 TYR 61 7.911 11.799 -11.908 439 HB3 TYR 61 HB3 TYR 61 6.806 11.069 -10.748 440 HD1 TYR 61 HD1 TYR 61 6.146 8.542 -11.384 441 HD2 TYR 61 HD2 TYR 61 9.714 10.531 -12.574 442 HE1 TYR 61 HE1 TYR 61 7.247 6.366 -11.697 443 HE2 TYR 61 HE2 TYR 61 10.825 8.360 -12.892 444 HH TYR 61 HH TYR 61 9.214 5.331 -12.048 445 H GLY 62 H GLY 62 4.075 9.926 -13.679 446 HA2 GLY 62 HA2 GLY 62 2.587 8.737 -11.973 447 HA3 GLY 62 HA3 GLY 62 2.370 10.351 -11.311 448 H CYS 63 H CYS 63 0.089 10.013 -11.676 449 HA CYS 63 HA CYS 63 -0.792 11.187 -14.106 450 HB2 CYS 63 HB2 CYS 63 -0.587 8.326 -14.075 451 HB3 CYS 63 HB3 CYS 63 -2.285 8.781 -14.159 452 HG CYS 63 HG CYS 63 -0.254 8.527 -16.601 453 H GLY 64 H GLY 64 -2.486 12.386 -13.559 454 HA2 GLY 64 HA2 GLY 64 -4.802 11.527 -12.304 455 HA3 GLY 64 HA3 GLY 64 -3.753 12.124 -11.026 456 H SER 65 H SER 65 -3.544 14.284 -10.713 457 HA SER 65 HA SER 65 -5.396 15.982 -12.157 458 HB2 SER 65 HB2 SER 65 -3.535 16.797 -9.921 459 HB3 SER 65 HB3 SER 65 -5.015 17.602 -10.440 460 HG SER 65 HG SER 65 -6.144 15.690 -9.759 461 H ALA 66 H ALA 66 -4.419 18.386 -12.360 462 HA ALA 66 HA ALA 66 -2.674 18.301 -14.565 463 HB1 ALA 66 HB1 ALA 66 -2.770 20.856 -13.139 464 HB2 ALA 66 HB2 ALA 66 -3.197 20.466 -14.806 465 HB3 ALA 66 HB3 ALA 66 -4.352 20.169 -13.507 466 H ILE 67 H ILE 67 -0.804 20.241 -14.291 467 HA ILE 67 HA ILE 67 0.976 19.228 -12.171 468 HB ILE 67 HB ILE 67 2.881 19.575 -13.688 469 HG12 ILE 67 HG12 ILE 67 1.453 21.257 -15.103 470 HG13 ILE 67 HG13 ILE 67 2.690 20.280 -15.889 471 HG21 ILE 67 HG21 ILE 67 2.287 17.698 -15.306 472 HG22 ILE 67 HG22 ILE 67 2.129 17.355 -13.584 473 HG23 ILE 67 HG23 ILE 67 0.695 17.705 -14.548 474 HD11 ILE 67 HD11 ILE 67 0.217 20.530 -16.834 475 HD12 ILE 67 HD12 ILE 67 1.182 19.070 -17.053 476 HD13 ILE 67 HD13 ILE 67 -0.032 19.142 -15.776 477 H ALA 68 H ALA 68 -0.737 21.510 -11.982 478 HA ALA 68 HA ALA 68 0.891 23.861 -12.389 479 HB1 ALA 68 HB1 ALA 68 -0.971 25.093 -11.887 480 HB2 ALA 68 HB2 ALA 68 -1.726 23.599 -12.445 481 HB3 ALA 68 HB3 ALA 68 -1.571 23.917 -10.717 482 H SER 69 H SER 69 -0.213 21.909 -9.650 483 HA SER 69 HA SER 69 0.715 23.476 -7.560 484 HB2 SER 69 HB2 SER 69 0.824 21.362 -6.255 485 HB3 SER 69 HB3 SER 69 -0.676 21.518 -7.171 486 HG SER 69 HG SER 69 0.052 19.479 -7.549 487 H SER 70 H SER 70 2.462 21.389 -9.742 488 HA SER 70 HA SER 70 4.903 21.503 -8.187 489 HB2 SER 70 HB2 SER 70 5.410 20.559 -10.824 490 HB3 SER 70 HB3 SER 70 5.345 19.628 -9.328 491 HG SER 70 HG SER 70 3.715 19.421 -11.325 492 H SER 71 H SER 71 3.709 22.780 -11.275 493 HA SER 71 HA SER 71 6.061 24.162 -11.981 494 HB2 SER 71 HB2 SER 71 3.195 24.298 -12.825 495 HB3 SER 71 HB3 SER 71 4.285 25.593 -13.319 496 HG SER 71 HG SER 71 5.234 24.276 -14.664 497 H LEU 72 H LEU 72 3.562 24.860 -9.721 498 HA LEU 72 HA LEU 72 4.061 27.697 -9.609 499 HB2 LEU 72 HB2 LEU 72 1.869 26.510 -9.080 500 HB3 LEU 72 HB3 LEU 72 2.617 26.053 -7.550 501 HG LEU 72 HG LEU 72 1.091 28.043 -7.458 502 HD11 LEU 72 HD11 LEU 72 2.354 29.094 -5.827 503 HD12 LEU 72 HD12 LEU 72 3.868 28.854 -6.698 504 HD13 LEU 72 HD13 LEU 72 3.082 27.490 -5.904 505 HD21 LEU 72 HD21 LEU 72 1.864 28.966 -9.662 506 HD22 LEU 72 HD22 LEU 72 3.347 29.472 -8.850 507 HD23 LEU 72 HD23 LEU 72 1.792 30.134 -8.342 508 H VAL 73 H VAL 73 4.706 24.911 -7.494 509 HA VAL 73 HA VAL 73 6.093 26.345 -5.505 510 HB VAL 73 HB VAL 73 7.048 24.127 -4.862 511 HG11 VAL 73 HG11 VAL 73 5.175 23.780 -3.709 512 HG12 VAL 73 HG12 VAL 73 4.438 25.057 -4.678 513 HG13 VAL 73 HG13 VAL 73 4.272 23.370 -5.166 514 HG21 VAL 73 HG21 VAL 73 6.251 22.129 -6.037 515 HG22 VAL 73 HG22 VAL 73 5.469 23.151 -7.243 516 HG23 VAL 73 HG23 VAL 73 7.226 23.154 -7.091 517 H THR 74 H THR 74 7.063 25.094 -8.597 518 HA THR 74 HA THR 74 9.870 25.110 -8.140 519 HB THR 74 HB THR 74 9.834 25.336 -10.775 520 HG1 THR 74 HG1 THR 74 7.884 25.369 -11.575 521 HG21 THR 74 HG21 THR 74 10.580 23.329 -9.765 522 HG22 THR 74 HG22 THR 74 9.298 22.855 -10.880 523 HG23 THR 74 HG23 THR 74 8.971 22.953 -9.150 524 H GLU 75 H GLU 75 7.709 27.376 -9.845 525 HA GLU 75 HA GLU 75 9.680 29.294 -10.424 526 HB2 GLU 75 HB2 GLU 75 7.754 30.854 -10.724 527 HB3 GLU 75 HB3 GLU 75 7.594 29.343 -11.608 528 HG2 GLU 75 HG2 GLU 75 6.090 28.485 -9.898 529 HG3 GLU 75 HG3 GLU 75 6.265 29.983 -8.984 530 H TRP 76 H TRP 76 8.077 28.505 -7.504 531 HA TRP 76 HA TRP 76 8.400 31.067 -6.242 532 HB2 TRP 76 HB2 TRP 76 7.110 28.578 -5.631 533 HB3 TRP 76 HB3 TRP 76 8.134 29.046 -4.277 534 HD1 TRP 76 HD1 TRP 76 4.748 29.195 -4.800 535 HE1 TRP 76 HE1 TRP 76 3.619 31.352 -3.963 536 HE3 TRP 76 HE3 TRP 76 8.875 32.194 -4.464 537 HZ2 TRP 76 HZ2 TRP 76 4.378 33.977 -3.255 538 HZ3 TRP 76 HZ3 TRP 76 8.587 34.515 -3.699 539 HH2 TRP 76 HH2 TRP 76 6.384 35.386 -3.108 540 H VAL 77 H VAL 77 10.018 27.910 -5.973 541 HA VAL 77 HA VAL 77 11.963 28.761 -4.100 542 HB VAL 77 HB VAL 77 13.215 26.712 -4.803 543 HG11 VAL 77 HG11 VAL 77 10.765 25.379 -4.419 544 HG12 VAL 77 HG12 VAL 77 11.971 25.805 -3.203 545 HG13 VAL 77 HG13 VAL 77 10.646 26.915 -3.560 546 HG21 VAL 77 HG21 VAL 77 12.202 25.181 -6.384 547 HG22 VAL 77 HG22 VAL 77 10.871 26.304 -6.660 548 HG23 VAL 77 HG23 VAL 77 12.505 26.733 -7.165 549 H LYS 78 H LYS 78 11.801 28.822 -7.593 550 HA LYS 78 HA LYS 78 14.491 29.208 -8.212 551 HB2 LYS 78 HB2 LYS 78 11.922 29.610 -9.536 552 HB3 LYS 78 HB3 LYS 78 13.130 30.785 -10.039 553 HG2 LYS 78 HG2 LYS 78 14.511 28.407 -10.104 554 HG3 LYS 78 HG3 LYS 78 12.899 27.959 -10.669 555 HD2 LYS 78 HD2 LYS 78 14.138 30.422 -11.782 556 HD3 LYS 78 HD3 LYS 78 14.762 28.863 -12.324 557 HE2 LYS 78 HE2 LYS 78 13.064 29.467 -13.856 558 HE3 LYS 78 HE3 LYS 78 12.373 28.218 -12.821 559 HZ1 LYS 78 HZ1 LYS 78 11.312 30.695 -13.329 560 HZ2 LYS 78 HZ2 LYS 78 11.923 30.820 -11.758 561 HZ3 LYS 78 HZ3 LYS 78 10.804 29.609 -12.136 562 H GLY 79 H GLY 79 15.632 30.593 -6.936 563 HA2 GLY 79 HA2 GLY 79 16.503 32.853 -6.951 564 HA3 GLY 79 HA3 GLY 79 14.852 33.432 -7.116 565 H LYS 80 H LYS 80 14.076 31.320 -5.050 566 HA LYS 80 HA LYS 80 14.339 33.061 -2.776 567 HB2 LYS 80 HB2 LYS 80 12.531 31.084 -3.592 568 HB3 LYS 80 HB3 LYS 80 13.296 30.433 -2.149 569 HG2 LYS 80 HG2 LYS 80 11.454 31.563 -1.319 570 HG3 LYS 80 HG3 LYS 80 12.770 32.717 -1.093 571 HD2 LYS 80 HD2 LYS 80 12.115 33.894 -3.115 572 HD3 LYS 80 HD3 LYS 80 10.843 32.708 -3.417 573 HE2 LYS 80 HE2 LYS 80 9.466 33.599 -1.864 574 HE3 LYS 80 HE3 LYS 80 10.788 34.000 -0.769 575 HZ1 LYS 80 HZ1 LYS 80 11.092 36.022 -1.725 576 HZ2 LYS 80 HZ2 LYS 80 9.439 35.848 -2.034 577 HZ3 LYS 80 HZ3 LYS 80 10.565 35.525 -3.254 578 H SER 81 H SER 81 14.986 32.158 -0.621 579 HA SER 81 HA SER 81 17.563 30.824 -0.911 580 HB2 SER 81 HB2 SER 81 17.285 32.949 0.432 581 HB3 SER 81 HB3 SER 81 16.369 32.003 1.604 582 HG SER 81 HG SER 81 18.405 31.906 2.347 583 H LEU 82 H LEU 82 18.065 29.455 1.232 584 HA LEU 82 HA LEU 82 16.518 27.096 0.983 585 HB2 LEU 82 HB2 LEU 82 18.375 27.700 3.264 586 HB3 LEU 82 HB3 LEU 82 17.979 26.133 2.560 587 HG LEU 82 HG LEU 82 19.628 28.287 1.238 588 HD11 LEU 82 HD11 LEU 82 21.531 27.095 1.788 589 HD12 LEU 82 HD12 LEU 82 20.634 25.614 2.123 590 HD13 LEU 82 HD13 LEU 82 20.563 26.963 3.257 591 HD21 LEU 82 HD21 LEU 82 18.313 25.904 0.233 592 HD22 LEU 82 HD22 LEU 82 20.056 25.868 -0.034 593 HD23 LEU 82 HD23 LEU 82 19.098 27.218 -0.644 594 H ASP 83 H ASP 83 16.777 29.533 3.552 595 HA ASP 83 HA ASP 83 14.904 28.291 5.284 596 HB2 ASP 83 HB2 ASP 83 16.391 30.826 5.185 597 HB3 ASP 83 HB3 ASP 83 14.827 30.938 5.988 598 H GLU 84 H GLU 84 14.636 30.905 2.902 599 HA GLU 84 HA GLU 84 12.006 31.656 3.354 600 HB2 GLU 84 HB2 GLU 84 13.770 31.683 0.936 601 HB3 GLU 84 HB3 GLU 84 12.074 32.114 0.770 602 HG2 GLU 84 HG2 GLU 84 14.073 33.449 2.580 603 HG3 GLU 84 HG3 GLU 84 13.451 34.087 1.059 604 H ALA 85 H ALA 85 13.197 29.244 1.014 605 HA ALA 85 HA ALA 85 10.642 28.384 0.184 606 HB1 ALA 85 HB1 ALA 85 12.248 26.221 -0.273 607 HB2 ALA 85 HB2 ALA 85 12.064 27.601 -1.356 608 HB3 ALA 85 HB3 ALA 85 13.412 27.544 -0.220 609 H GLN 86 H GLN 86 12.843 27.233 2.698 610 HA GLN 86 HA GLN 86 11.365 24.923 3.388 611 HB2 GLN 86 HB2 GLN 86 13.777 25.452 3.992 612 HB3 GLN 86 HB3 GLN 86 13.137 26.497 5.253 613 HG2 GLN 86 HG2 GLN 86 11.947 23.860 5.328 614 HG3 GLN 86 HG3 GLN 86 13.704 23.801 5.463 615 HE21 GLN 86 HE21 GLN 86 14.402 25.894 6.891 616 HE22 GLN 86 HE22 GLN 86 13.651 25.898 8.447 617 H ALA 87 H ALA 87 10.939 28.266 4.082 618 HA ALA 87 HA ALA 87 9.256 27.829 6.396 619 HB1 ALA 87 HB1 ALA 87 8.925 30.272 6.323 620 HB2 ALA 87 HB2 ALA 87 10.629 29.817 6.337 621 HB3 ALA 87 HB3 ALA 87 9.867 30.334 4.833 622 H ILE 88 H ILE 88 8.840 27.531 3.115 623 HA ILE 88 HA ILE 88 6.326 28.704 2.666 624 HB ILE 88 HB ILE 88 7.579 26.290 1.353 625 HG12 ILE 88 HG12 ILE 88 7.422 29.185 0.482 626 HG13 ILE 88 HG13 ILE 88 8.856 28.389 1.120 627 HG21 ILE 88 HG21 ILE 88 5.180 27.924 0.538 628 HG22 ILE 88 HG22 ILE 88 5.981 26.734 -0.486 629 HG23 ILE 88 HG23 ILE 88 5.196 26.224 1.008 630 HD11 ILE 88 HD11 ILE 88 7.439 27.761 -1.457 631 HD12 ILE 88 HD12 ILE 88 9.018 28.522 -1.264 632 HD13 ILE 88 HD13 ILE 88 8.790 26.836 -0.802 633 H LYS 89 H LYS 89 4.248 27.930 2.816 634 HA LYS 89 HA LYS 89 3.904 25.408 4.303 635 HB2 LYS 89 HB2 LYS 89 2.832 28.111 4.790 636 HB3 LYS 89 HB3 LYS 89 1.652 26.813 4.912 637 HG2 LYS 89 HG2 LYS 89 2.447 27.046 7.079 638 HG3 LYS 89 HG3 LYS 89 3.358 25.672 6.449 639 HD2 LYS 89 HD2 LYS 89 4.957 27.001 7.538 640 HD3 LYS 89 HD3 LYS 89 5.158 27.373 5.824 641 HE2 LYS 89 HE2 LYS 89 3.257 29.053 7.349 642 HE3 LYS 89 HE3 LYS 89 4.969 29.254 7.719 643 HZ1 LYS 89 HZ1 LYS 89 4.565 29.172 4.918 644 HZ2 LYS 89 HZ2 LYS 89 5.249 30.399 5.860 645 HZ3 LYS 89 HZ3 LYS 89 3.577 30.360 5.607 646 H ASN 90 H ASN 90 2.281 24.036 3.668 647 HA ASN 90 HA ASN 90 1.542 23.904 1.022 648 HB2 ASN 90 HB2 ASN 90 0.049 22.164 1.621 649 HB3 ASN 90 HB3 ASN 90 1.344 22.099 2.813 650 HD21 ASN 90 HD21 ASN 90 -1.977 22.972 2.229 651 HD22 ASN 90 HD22 ASN 90 -2.455 23.050 3.888 652 H THR 91 H THR 91 -0.045 25.586 3.655 653 HA THR 91 HA THR 91 -2.525 26.098 2.499 654 HB THR 91 HB THR 91 -2.010 26.618 4.847 655 HG1 THR 91 HG1 THR 91 -3.052 28.741 4.813 656 HG21 THR 91 HG21 THR 91 0.241 27.820 3.918 657 HG22 THR 91 HG22 THR 91 -0.434 28.084 5.525 658 HG23 THR 91 HG23 THR 91 -0.787 29.219 4.223 659 H ASP 92 H ASP 92 0.578 27.660 2.010 660 HA ASP 92 HA ASP 92 -0.450 29.884 0.543 661 HB2 ASP 92 HB2 ASP 92 2.240 28.775 1.158 662 HB3 ASP 92 HB3 ASP 92 2.107 29.821 -0.254 663 H ILE 93 H ILE 93 0.792 26.702 -0.301 664 HA ILE 93 HA ILE 93 0.766 27.209 -3.130 665 HB ILE 93 HB ILE 93 1.020 24.624 -1.589 666 HG12 ILE 93 HG12 ILE 93 3.398 25.066 -2.860 667 HG13 ILE 93 HG13 ILE 93 2.901 26.711 -2.477 668 HG21 ILE 93 HG21 ILE 93 2.058 24.025 -3.972 669 HG22 ILE 93 HG22 ILE 93 0.358 23.768 -3.581 670 HG23 ILE 93 HG23 ILE 93 0.847 25.200 -4.486 671 HD11 ILE 93 HD11 ILE 93 4.344 25.306 -0.809 672 HD12 ILE 93 HD12 ILE 93 3.075 26.383 -0.225 673 HD13 ILE 93 HD13 ILE 93 2.777 24.648 -0.342 674 H ALA 94 H ALA 94 -1.488 26.063 -0.768 675 HA ALA 94 HA ALA 94 -3.247 24.701 -2.544 676 HB1 ALA 94 HB1 ALA 94 -3.696 25.862 0.201 677 HB2 ALA 94 HB2 ALA 94 -4.874 24.881 -0.670 678 HB3 ALA 94 HB3 ALA 94 -3.321 24.187 -0.204 679 H GLU 95 H GLU 95 -3.344 27.938 -1.057 680 HA GLU 95 HA GLU 95 -5.663 28.717 -2.558 681 HB2 GLU 95 HB2 GLU 95 -3.738 30.414 -0.960 682 HB3 GLU 95 HB3 GLU 95 -5.311 30.925 -1.555 683 HG2 GLU 95 HG2 GLU 95 -5.131 28.535 0.213 684 HG3 GLU 95 HG3 GLU 95 -5.004 30.147 0.916 685 H GLU 96 H GLU 96 -2.254 28.789 -3.052 686 HA GLU 96 HA GLU 96 -1.951 30.938 -4.786 687 HB2 GLU 96 HB2 GLU 96 -0.470 28.511 -4.136 688 HB3 GLU 96 HB3 GLU 96 -0.261 28.997 -5.813 689 HG2 GLU 96 HG2 GLU 96 0.090 30.934 -3.554 690 HG3 GLU 96 HG3 GLU 96 1.399 29.887 -4.099 691 H LEU 97 H LEU 97 -2.645 27.540 -5.608 692 HA LEU 97 HA LEU 97 -3.574 28.455 -8.247 693 HB2 LEU 97 HB2 LEU 97 -2.885 25.625 -7.520 694 HB3 LEU 97 HB3 LEU 97 -3.045 26.334 -9.126 695 HG LEU 97 HG LEU 97 -0.966 27.733 -7.839 696 HD11 LEU 97 HD11 LEU 97 -0.296 26.245 -6.284 697 HD12 LEU 97 HD12 LEU 97 0.467 25.467 -7.669 698 HD13 LEU 97 HD13 LEU 97 -1.091 24.887 -7.080 699 HD21 LEU 97 HD21 LEU 97 0.130 27.271 -9.761 700 HD22 LEU 97 HD22 LEU 97 -1.476 26.767 -10.287 701 HD23 LEU 97 HD23 LEU 97 -0.311 25.564 -9.734 702 H GLU 98 H GLU 98 -4.755 27.693 -5.313 703 HA GLU 98 HA GLU 98 -6.744 26.940 -4.491 704 HB2 GLU 98 HB2 GLU 98 -7.689 27.776 -7.239 705 HB3 GLU 98 HB3 GLU 98 -8.730 27.478 -5.853 706 HG2 GLU 98 HG2 GLU 98 -7.313 29.292 -4.689 707 HG3 GLU 98 HG3 GLU 98 -6.816 29.724 -6.324 708 H LEU 99 H LEU 99 -5.457 24.788 -4.874 709 HA LEU 99 HA LEU 99 -6.113 22.989 -6.873 710 HB2 LEU 99 HB2 LEU 99 -5.006 22.853 -4.176 711 HB3 LEU 99 HB3 LEU 99 -5.871 21.393 -4.650 712 HG LEU 99 HG LEU 99 -4.410 21.315 -6.696 713 HD11 LEU 99 HD11 LEU 99 -2.309 22.903 -5.474 714 HD12 LEU 99 HD12 LEU 99 -3.711 23.870 -5.932 715 HD13 LEU 99 HD13 LEU 99 -2.891 22.880 -7.139 716 HD21 LEU 99 HD21 LEU 99 -3.115 21.137 -3.979 717 HD22 LEU 99 HD22 LEU 99 -2.447 20.452 -5.460 718 HD23 LEU 99 HD23 LEU 99 -3.982 19.856 -4.826 719 HA PRO 100 HA PRO 100 -10.309 21.852 -6.240 720 HB2 PRO 100 HB2 PRO 100 -10.266 19.294 -7.148 721 HB3 PRO 100 HB3 PRO 100 -10.155 20.695 -8.219 722 HG2 PRO 100 HG2 PRO 100 -7.972 18.935 -7.172 723 HG3 PRO 100 HG3 PRO 100 -8.202 19.580 -8.808 724 HD2 PRO 100 HD2 PRO 100 -6.466 20.674 -7.041 725 HD3 PRO 100 HD3 PRO 100 -7.331 21.640 -8.253 726 HA PRO 101 HA PRO 101 -10.695 19.789 -2.368 727 HB2 PRO 101 HB2 PRO 101 -13.274 18.955 -2.525 728 HB3 PRO 101 HB3 PRO 101 -12.825 20.647 -2.277 729 HG2 PRO 101 HG2 PRO 101 -13.635 19.253 -4.799 730 HG3 PRO 101 HG3 PRO 101 -14.119 20.849 -4.198 731 HD2 PRO 101 HD2 PRO 101 -12.220 20.523 -6.100 732 HD3 PRO 101 HD3 PRO 101 -12.174 21.851 -4.923 733 H VAL 102 H VAL 102 -10.938 18.151 -5.345 734 HA VAL 102 HA VAL 102 -11.727 15.592 -4.712 735 HB VAL 102 HB VAL 102 -10.142 14.821 -6.503 736 HG11 VAL 102 HG11 VAL 102 -11.386 17.064 -7.849 737 HG12 VAL 102 HG12 VAL 102 -11.744 15.339 -7.962 738 HG13 VAL 102 HG13 VAL 102 -12.474 16.311 -6.684 739 HG21 VAL 102 HG21 VAL 102 -9.097 16.727 -7.828 740 HG22 VAL 102 HG22 VAL 102 -9.341 17.716 -6.388 741 HG23 VAL 102 HG23 VAL 102 -8.311 16.287 -6.311 742 H LYS 103 H LYS 103 -8.512 17.036 -4.317 743 HA LYS 103 HA LYS 103 -7.916 15.234 -2.153 744 HB2 LYS 103 HB2 LYS 103 -5.795 14.408 -3.220 745 HB3 LYS 103 HB3 LYS 103 -7.273 13.756 -3.915 746 HG2 LYS 103 HG2 LYS 103 -6.592 16.114 -5.341 747 HG3 LYS 103 HG3 LYS 103 -5.153 15.100 -5.217 748 HD2 LYS 103 HD2 LYS 103 -7.839 14.076 -6.120 749 HD3 LYS 103 HD3 LYS 103 -6.599 14.668 -7.228 750 HE2 LYS 103 HE2 LYS 103 -6.061 12.492 -5.225 751 HE3 LYS 103 HE3 LYS 103 -6.702 12.153 -6.831 752 HZ1 LYS 103 HZ1 LYS 103 -4.440 11.940 -7.124 753 HZ2 LYS 103 HZ2 LYS 103 -4.061 13.216 -6.080 754 HZ3 LYS 103 HZ3 LYS 103 -4.695 13.540 -7.615 755 H ILE 104 H ILE 104 -7.914 17.402 -1.213 756 HA ILE 104 HA ILE 104 -6.251 19.494 -1.886 757 HB ILE 104 HB ILE 104 -6.965 18.597 0.909 758 HG12 ILE 104 HG12 ILE 104 -8.924 18.965 -0.553 759 HG13 ILE 104 HG13 ILE 104 -8.826 20.165 0.731 760 HG21 ILE 104 HG21 ILE 104 -5.647 21.031 -0.179 761 HG22 ILE 104 HG22 ILE 104 -6.744 21.206 1.190 762 HG23 ILE 104 HG23 ILE 104 -5.337 20.151 1.317 763 HD11 ILE 104 HD11 ILE 104 -7.978 20.575 -2.126 764 HD12 ILE 104 HD12 ILE 104 -9.464 21.169 -1.387 765 HD13 ILE 104 HD13 ILE 104 -7.902 21.778 -0.839 766 H HIS 105 H HIS 105 -5.429 16.438 -0.487 767 HA HIS 105 HA HIS 105 -3.032 16.986 0.787 768 HB2 HIS 105 HB2 HIS 105 -4.259 14.620 -0.479 769 HB3 HIS 105 HB3 HIS 105 -2.504 14.566 -0.342 770 HD1 HIS 105 HD1 HIS 105 -2.020 15.764 2.377 771 HD2 HIS 105 HD2 HIS 105 -5.137 13.129 1.598 772 HE1 HIS 105 HE1 HIS 105 -2.620 14.756 4.602 773 H CYS 106 H CYS 106 -3.780 16.980 -2.592 774 HA CYS 106 HA CYS 106 -1.220 16.608 -3.671 775 HB2 CYS 106 HB2 CYS 106 -3.811 17.606 -4.606 776 HB3 CYS 106 HB3 CYS 106 -2.441 18.352 -5.421 777 HG CYS 106 HG CYS 106 -2.212 15.023 -5.189 778 H SER 107 H SER 107 -2.557 19.229 -1.929 779 HA SER 107 HA SER 107 -0.707 21.201 -2.973 780 HB2 SER 107 HB2 SER 107 -2.435 22.493 -2.332 781 HB3 SER 107 HB3 SER 107 -3.110 21.217 -1.319 782 HG SER 107 HG SER 107 -1.866 21.885 0.362 783 H ILE 108 H ILE 108 -1.063 19.153 -0.151 784 HA ILE 108 HA ILE 108 1.002 20.383 1.381 785 HB ILE 108 HB ILE 108 -0.339 17.692 1.588 786 HG12 ILE 108 HG12 ILE 108 -1.085 18.832 3.795 787 HG13 ILE 108 HG13 ILE 108 -0.563 20.326 3.023 788 HG21 ILE 108 HG21 ILE 108 1.690 17.166 2.538 789 HG22 ILE 108 HG22 ILE 108 1.973 18.811 3.104 790 HG23 ILE 108 HG23 ILE 108 0.805 17.782 3.934 791 HD11 ILE 108 HD11 ILE 108 -3.049 19.163 2.832 792 HD12 ILE 108 HD12 ILE 108 -2.405 20.433 1.791 793 HD13 ILE 108 HD13 ILE 108 -2.275 18.742 1.305 794 H LEU 109 H LEU 109 0.920 17.963 -1.107 795 HA LEU 109 HA LEU 109 3.496 16.851 -0.568 796 HB2 LEU 109 HB2 LEU 109 1.765 16.792 -3.034 797 HB3 LEU 109 HB3 LEU 109 3.264 15.883 -2.851 798 HG LEU 109 HG LEU 109 0.696 15.501 -1.320 799 HD11 LEU 109 HD11 LEU 109 1.627 14.449 -3.745 800 HD12 LEU 109 HD12 LEU 109 0.242 13.912 -2.796 801 HD13 LEU 109 HD13 LEU 109 1.821 13.168 -2.549 802 HD21 LEU 109 HD21 LEU 109 2.244 15.066 0.330 803 HD22 LEU 109 HD22 LEU 109 3.468 14.512 -0.813 804 HD23 LEU 109 HD23 LEU 109 2.087 13.483 -0.431 805 H ALA 110 H ALA 110 2.336 19.632 -2.253 806 HA ALA 110 HA ALA 110 4.563 20.034 -3.969 807 HB1 ALA 110 HB1 ALA 110 3.234 21.610 -4.783 808 HB2 ALA 110 HB2 ALA 110 2.091 21.303 -3.474 809 HB3 ALA 110 HB3 ALA 110 3.351 22.521 -3.277 810 H GLU 111 H GLU 111 3.755 21.171 -0.717 811 HA GLU 111 HA GLU 111 6.173 22.736 -0.511 812 HB2 GLU 111 HB2 GLU 111 5.427 23.179 1.790 813 HB3 GLU 111 HB3 GLU 111 4.156 23.502 0.619 814 HG2 GLU 111 HG2 GLU 111 2.807 21.933 1.462 815 HG3 GLU 111 HG3 GLU 111 4.124 20.785 1.697 816 H ASP 112 H ASP 112 5.176 19.514 0.172 817 HA ASP 112 HA ASP 112 7.226 18.958 2.110 818 HB2 ASP 112 HB2 ASP 112 5.266 17.248 0.592 819 HB3 ASP 112 HB3 ASP 112 6.517 16.538 1.608 820 H ALA 113 H ALA 113 6.968 18.947 -1.330 821 HA ALA 113 HA ALA 113 9.226 17.204 -1.766 822 HB1 ALA 113 HB1 ALA 113 8.796 17.409 -4.032 823 HB2 ALA 113 HB2 ALA 113 7.194 17.601 -3.320 824 HB3 ALA 113 HB3 ALA 113 8.095 19.018 -3.858 825 H ILE 114 H ILE 114 8.585 20.673 -2.293 826 HA ILE 114 HA ILE 114 11.090 21.459 -3.135 827 HB ILE 114 HB ILE 114 10.566 23.697 -2.190 828 HG12 ILE 114 HG12 ILE 114 7.962 23.569 -1.376 829 HG13 ILE 114 HG13 ILE 114 8.608 22.078 -0.698 830 HG21 ILE 114 HG21 ILE 114 9.704 22.889 -4.389 831 HG22 ILE 114 HG22 ILE 114 8.198 22.459 -3.580 832 HG23 ILE 114 HG23 ILE 114 8.719 24.143 -3.638 833 HD11 ILE 114 HD11 ILE 114 9.267 24.900 -0.053 834 HD12 ILE 114 HD12 ILE 114 8.991 23.526 1.018 835 HD13 ILE 114 HD13 ILE 114 10.515 23.669 0.143 836 H LYS 115 H LYS 115 9.928 20.967 0.161 837 HA LYS 115 HA LYS 115 12.247 21.967 1.455 838 HB2 LYS 115 HB2 LYS 115 9.767 21.268 2.298 839 HB3 LYS 115 HB3 LYS 115 10.687 19.867 2.831 840 HG2 LYS 115 HG2 LYS 115 11.190 22.742 3.565 841 HG3 LYS 115 HG3 LYS 115 10.564 21.468 4.614 842 HD2 LYS 115 HD2 LYS 115 13.300 21.515 3.339 843 HD3 LYS 115 HD3 LYS 115 12.944 21.897 5.025 844 HE2 LYS 115 HE2 LYS 115 12.394 19.248 3.690 845 HE3 LYS 115 HE3 LYS 115 13.787 19.595 4.712 846 HZ1 LYS 115 HZ1 LYS 115 10.945 19.704 5.566 847 HZ2 LYS 115 HZ2 LYS 115 12.279 20.046 6.548 848 HZ3 LYS 115 HZ3 LYS 115 12.047 18.480 5.953 849 H ALA 116 H ALA 116 11.223 18.732 0.456 850 HA ALA 116 HA ALA 116 13.232 17.225 1.642 851 HB1 ALA 116 HB1 ALA 116 11.388 16.112 0.637 852 HB2 ALA 116 HB2 ALA 116 11.748 16.807 -0.944 853 HB3 ALA 116 HB3 ALA 116 12.834 15.610 -0.239 854 H ALA 117 H ALA 117 13.338 19.289 -1.160 855 HA ALA 117 HA ALA 117 15.819 18.270 -2.176 856 HB1 ALA 117 HB1 ALA 117 15.500 19.663 -3.923 857 HB2 ALA 117 HB2 ALA 117 13.855 19.729 -3.288 858 HB3 ALA 117 HB3 ALA 117 15.003 21.010 -2.899 859 H ILE 118 H ILE 118 14.844 20.971 -0.125 860 HA ILE 118 HA ILE 118 17.293 22.319 -0.014 861 HB ILE 118 HB ILE 118 15.165 22.111 2.119 862 HG12 ILE 118 HG12 ILE 118 15.645 24.232 0.015 863 HG13 ILE 118 HG13 ILE 118 14.385 23.006 -0.057 864 HG21 ILE 118 HG21 ILE 118 16.476 24.564 2.314 865 HG22 ILE 118 HG22 ILE 118 16.585 23.205 3.432 866 HG23 ILE 118 HG23 ILE 118 17.757 23.367 2.125 867 HD11 ILE 118 HD11 ILE 118 14.417 25.542 1.312 868 HD12 ILE 118 HD12 ILE 118 13.065 24.467 0.953 869 HD13 ILE 118 HD13 ILE 118 14.028 24.218 2.409 870 H ALA 119 H ALA 119 16.127 19.497 1.700 871 HA ALA 119 HA ALA 119 18.174 19.440 3.676 872 HB1 ALA 119 HB1 ALA 119 16.365 17.260 2.644 873 HB2 ALA 119 HB2 ALA 119 17.426 17.106 4.045 874 HB3 ALA 119 HB3 ALA 119 16.105 18.274 4.063 875 H ASP 120 H ASP 120 17.704 17.632 0.643 876 HA ASP 120 HA ASP 120 19.980 16.072 0.693 877 HB2 ASP 120 HB2 ASP 120 18.214 15.849 -1.003 878 HB3 ASP 120 HB3 ASP 120 18.713 17.375 -1.727 879 H TYR 121 H TYR 121 19.659 19.473 -0.005 880 HA TYR 121 HA TYR 121 22.232 19.811 -1.183 881 HB2 TYR 121 HB2 TYR 121 20.553 21.451 -1.658 882 HB3 TYR 121 HB3 TYR 121 20.288 21.763 0.054 883 HD1 TYR 121 HD1 TYR 121 23.398 21.582 -2.012 884 HD2 TYR 121 HD2 TYR 121 20.920 23.934 0.524 885 HE1 TYR 121 HE1 TYR 121 25.051 23.401 -2.094 886 HE2 TYR 121 HE2 TYR 121 22.566 25.761 0.447 887 HH TYR 121 HH TYR 121 25.686 25.380 -0.588 888 H LYS 122 H LYS 122 20.951 20.712 2.022 889 HA LYS 122 HA LYS 122 23.422 21.481 3.116 890 HB2 LYS 122 HB2 LYS 122 21.117 20.349 4.695 891 HB3 LYS 122 HB3 LYS 122 22.323 21.512 5.229 892 HG2 LYS 122 HG2 LYS 122 21.218 22.819 3.119 893 HG3 LYS 122 HG3 LYS 122 19.833 21.922 3.746 894 HD2 LYS 122 HD2 LYS 122 21.626 23.536 5.538 895 HD3 LYS 122 HD3 LYS 122 20.253 24.258 4.696 896 HE2 LYS 122 HE2 LYS 122 18.975 23.589 6.389 897 HE3 LYS 122 HE3 LYS 122 19.246 21.932 5.852 898 HZ1 LYS 122 HZ1 LYS 122 20.962 23.396 7.783 899 HZ2 LYS 122 HZ2 LYS 122 21.147 21.784 7.306 900 HZ3 LYS 122 HZ3 LYS 122 19.789 22.250 8.201 901 H SER 123 H SER 123 21.957 18.373 2.660 902 HA SER 123 HA SER 123 23.669 17.005 4.532 903 HB2 SER 123 HB2 SER 123 21.655 16.103 2.483 904 HB3 SER 123 HB3 SER 123 22.693 14.946 3.317 905 HG SER 123 HG SER 123 20.543 16.395 4.257 906 H LYS 124 H LYS 124 23.847 18.008 1.257 907 HA LYS 124 HA LYS 124 25.870 16.078 0.504 908 HB2 LYS 124 HB2 LYS 124 24.153 17.948 -0.855 909 HB3 LYS 124 HB3 LYS 124 25.819 18.191 -1.362 910 HG2 LYS 124 HG2 LYS 124 25.084 16.632 -2.879 911 HG3 LYS 124 HG3 LYS 124 25.830 15.608 -1.650 912 HD2 LYS 124 HD2 LYS 124 23.471 15.506 -0.617 913 HD3 LYS 124 HD3 LYS 124 22.919 16.100 -2.185 914 HE2 LYS 124 HE2 LYS 124 24.467 13.570 -1.640 915 HE3 LYS 124 HE3 LYS 124 22.785 13.695 -2.153 916 HZ1 LYS 124 HZ1 LYS 124 23.836 14.966 -4.145 917 HZ2 LYS 124 HZ2 LYS 124 23.835 13.275 -4.126 918 HZ3 LYS 124 HZ3 LYS 124 25.237 14.125 -3.709 919 H ARG 125 H ARG 125 25.723 19.219 1.902 920 HA ARG 125 HA ARG 125 28.601 19.615 1.436 921 HB2 ARG 125 HB2 ARG 125 28.250 21.957 1.922 922 HB3 ARG 125 HB3 ARG 125 27.103 21.444 0.691 923 HG2 ARG 125 HG2 ARG 125 25.651 22.568 1.990 924 HG3 ARG 125 HG3 ARG 125 25.612 21.045 2.882 925 HD2 ARG 125 HD2 ARG 125 27.045 21.852 4.547 926 HD3 ARG 125 HD3 ARG 125 27.595 23.195 3.545 927 HE ARG 125 HE ARG 125 24.874 23.546 3.933 928 HH11 ARG 125 HH11 ARG 125 27.760 23.417 5.876 929 HH12 ARG 125 HH12 ARG 125 27.143 24.483 7.095 930 HH21 ARG 125 HH21 ARG 125 24.051 24.950 5.531 931 HH22 ARG 125 HH22 ARG 125 25.034 25.353 6.898 932 H GLU 126 H GLU 126 26.345 18.680 3.760 933 HA GLU 126 HA GLU 126 27.420 19.742 6.121 934 HB2 GLU 126 HB2 GLU 126 25.510 17.686 5.388 935 HB3 GLU 126 HB3 GLU 126 26.467 17.200 6.781 936 HG2 GLU 126 HG2 GLU 126 25.401 19.945 6.844 937 HG3 GLU 126 HG3 GLU 126 24.213 18.646 6.941 938 H ALA 127 H ALA 127 28.147 16.732 4.393 939 HA ALA 127 HA ALA 127 30.637 16.541 5.956 940 HB1 ALA 127 HB1 ALA 127 30.234 14.435 6.572 941 HB2 ALA 127 HB2 ALA 127 28.559 14.748 6.117 942 HB3 ALA 127 HB3 ALA 127 29.657 13.985 4.967 943 H LYS 128 H LYS 128 32.394 16.655 4.735 944 HA LYS 128 HA LYS 128 32.777 15.219 2.345 945 HB2 LYS 128 HB2 LYS 128 31.252 16.860 1.380 946 HB3 LYS 128 HB3 LYS 128 32.238 18.175 2.004 947 HG2 LYS 128 HG2 LYS 128 33.706 16.285 0.327 948 HG3 LYS 128 HG3 LYS 128 32.403 17.135 -0.507 949 HD2 LYS 128 HD2 LYS 128 33.941 18.919 1.178 950 HD3 LYS 128 HD3 LYS 128 34.964 18.093 0.000 951 HE2 LYS 128 HE2 LYS 128 32.404 19.515 -0.709 952 HE3 LYS 128 HE3 LYS 128 33.993 20.275 -0.771 953 HZ1 LYS 128 HZ1 LYS 128 32.759 18.563 -2.662 954 HZ2 LYS 128 HZ2 LYS 128 34.232 17.902 -2.157 955 HZ3 LYS 128 HZ3 LYS 128 34.185 19.462 -2.809 Start of MODEL 13 1 H1 MET 1 H MET 1 -0.242 -1.403 2.743 2 HA MET 1 HA MET 1 -1.832 -3.797 2.207 3 HB2 MET 1 HB2 MET 1 -2.621 -0.977 1.514 4 HB3 MET 1 HB3 MET 1 -3.223 -2.352 0.596 5 HG2 MET 1 HG2 MET 1 -3.896 -3.245 2.962 6 HG3 MET 1 HG3 MET 1 -3.802 -1.540 3.398 7 HE1 MET 1 HE1 MET 1 -6.399 -4.166 2.347 8 HE2 MET 1 HE2 MET 1 -6.210 -3.225 3.826 9 HE3 MET 1 HE3 MET 1 -7.593 -2.938 2.769 10 H ALA 2 H ALA 2 0.930 -3.192 1.738 11 HA ALA 2 HA ALA 2 2.520 -3.342 0.116 12 HB1 ALA 2 HB1 ALA 2 2.143 -5.027 -1.305 13 HB2 ALA 2 HB2 ALA 2 0.566 -5.146 -0.523 14 HB3 ALA 2 HB3 ALA 2 0.740 -4.232 -2.022 15 H TYR 3 H TYR 3 0.827 -0.893 0.328 16 HA TYR 3 HA TYR 3 0.585 1.116 -0.711 17 HB2 TYR 3 HB2 TYR 3 2.659 0.141 -2.676 18 HB3 TYR 3 HB3 TYR 3 2.302 1.804 -2.225 19 HD1 TYR 3 HD1 TYR 3 2.227 1.666 0.698 20 HD2 TYR 3 HD2 TYR 3 4.867 -0.226 -2.051 21 HE1 TYR 3 HE1 TYR 3 3.962 1.571 2.439 22 HE2 TYR 3 HE2 TYR 3 6.609 -0.327 -0.317 23 HH TYR 3 HH TYR 3 5.953 0.603 3.004 24 H SER 4 H SER 4 0.520 2.024 -3.224 25 HA SER 4 HA SER 4 -0.777 0.268 -5.064 26 HB2 SER 4 HB2 SER 4 -2.802 2.213 -4.656 27 HB3 SER 4 HB3 SER 4 -2.907 0.470 -4.407 28 HG SER 4 HG SER 4 -3.397 1.531 -2.487 29 H GLU 5 H GLU 5 -1.032 1.186 -7.098 30 HA GLU 5 HA GLU 5 -0.723 4.006 -7.529 31 HB2 GLU 5 HB2 GLU 5 1.370 3.941 -8.734 32 HB3 GLU 5 HB3 GLU 5 1.619 3.313 -7.111 33 HG2 GLU 5 HG2 GLU 5 2.784 1.785 -8.337 34 HG3 GLU 5 HG3 GLU 5 1.206 1.004 -8.266 35 H LYS 6 H LYS 6 -0.477 4.438 -9.972 36 HA LYS 6 HA LYS 6 -1.241 2.433 -11.821 37 HB2 LYS 6 HB2 LYS 6 -3.363 3.283 -10.290 38 HB3 LYS 6 HB3 LYS 6 -3.482 4.320 -11.705 39 HG2 LYS 6 HG2 LYS 6 -4.212 2.659 -12.997 40 HG3 LYS 6 HG3 LYS 6 -3.009 1.526 -12.375 41 HD2 LYS 6 HD2 LYS 6 -4.363 0.928 -10.547 42 HD3 LYS 6 HD3 LYS 6 -5.421 2.323 -10.769 43 HE2 LYS 6 HE2 LYS 6 -6.681 1.266 -12.294 44 HE3 LYS 6 HE3 LYS 6 -5.279 0.565 -13.101 45 HZ1 LYS 6 HZ1 LYS 6 -5.336 -1.287 -11.797 46 HZ2 LYS 6 HZ2 LYS 6 -6.988 -0.930 -11.838 47 HZ3 LYS 6 HZ3 LYS 6 -6.064 -0.503 -10.487 48 H VAL 7 H VAL 7 -0.771 3.096 -13.838 49 HA VAL 7 HA VAL 7 -0.720 5.964 -14.430 50 HB VAL 7 HB VAL 7 1.569 5.366 -13.736 51 HG11 VAL 7 HG11 VAL 7 2.897 3.789 -14.926 52 HG12 VAL 7 HG12 VAL 7 1.394 2.975 -14.485 53 HG13 VAL 7 HG13 VAL 7 1.637 3.547 -16.136 54 HG21 VAL 7 HG21 VAL 7 2.721 6.241 -15.713 55 HG22 VAL 7 HG22 VAL 7 1.283 5.934 -16.687 56 HG23 VAL 7 HG23 VAL 7 1.231 7.126 -15.389 57 H ILE 8 H ILE 8 -1.421 6.442 -16.428 58 HA ILE 8 HA ILE 8 -1.629 4.252 -18.386 59 HB ILE 8 HB ILE 8 -3.760 5.344 -19.177 60 HG12 ILE 8 HG12 ILE 8 -3.794 6.624 -16.446 61 HG13 ILE 8 HG13 ILE 8 -3.259 7.490 -17.883 62 HG21 ILE 8 HG21 ILE 8 -3.682 3.270 -17.831 63 HG22 ILE 8 HG22 ILE 8 -3.830 4.246 -16.371 64 HG23 ILE 8 HG23 ILE 8 -5.140 4.220 -17.551 65 HD11 ILE 8 HD11 ILE 8 -5.411 8.123 -17.948 66 HD12 ILE 8 HD12 ILE 8 -5.625 6.568 -18.751 67 HD13 ILE 8 HD13 ILE 8 -5.965 6.724 -17.028 68 H ASP 9 H ASP 9 -2.064 5.126 -20.640 69 HA ASP 9 HA ASP 9 -0.325 7.457 -21.079 70 HB2 ASP 9 HB2 ASP 9 -0.945 5.040 -22.766 71 HB3 ASP 9 HB3 ASP 9 -0.220 6.488 -23.460 72 H HIS 10 H HIS 10 -1.422 9.269 -21.422 73 HA HIS 10 HA HIS 10 -3.782 9.161 -23.178 74 HB2 HIS 10 HB2 HIS 10 -4.052 9.635 -20.566 75 HB3 HIS 10 HB3 HIS 10 -3.647 11.269 -21.080 76 HD1 HIS 10 HD1 HIS 10 -6.283 8.622 -21.498 77 HD2 HIS 10 HD2 HIS 10 -5.654 12.623 -22.424 78 HE1 HIS 10 HE1 HIS 10 -8.509 9.488 -22.287 79 H TYR 11 H TYR 11 -1.645 11.586 -21.662 80 HA TYR 11 HA TYR 11 -0.752 12.529 -24.230 81 HB2 TYR 11 HB2 TYR 11 -3.046 13.740 -23.022 82 HB3 TYR 11 HB3 TYR 11 -1.718 14.894 -22.991 83 HD1 TYR 11 HD2 TYR 11 -0.310 14.766 -25.363 84 HD2 TYR 11 HD1 TYR 11 -4.456 13.978 -24.821 85 HE1 TYR 11 HE2 TYR 11 -0.716 15.304 -27.729 86 HE2 TYR 11 HE1 TYR 11 -4.873 14.513 -27.185 87 HH TYR 11 HH TYR 11 -3.651 14.592 -29.298 88 H GLU 12 H GLU 12 1.310 12.137 -23.453 89 HA GLU 12 HA GLU 12 2.199 13.370 -20.990 90 HB2 GLU 12 HB2 GLU 12 3.266 11.402 -22.907 91 HB3 GLU 12 HB3 GLU 12 4.473 12.449 -22.174 92 HG2 GLU 12 HG2 GLU 12 4.233 11.531 -20.128 93 HG3 GLU 12 HG3 GLU 12 2.507 11.244 -20.338 94 H ASN 13 H ASN 13 1.970 15.583 -21.410 95 HA ASN 13 HA ASN 13 3.925 16.668 -23.330 96 HB2 ASN 13 HB2 ASN 13 1.405 16.996 -23.826 97 HB3 ASN 13 HB3 ASN 13 1.445 18.156 -22.502 98 HD21 ASN 13 HD21 ASN 13 1.719 20.162 -23.121 99 HD22 ASN 13 HD22 ASN 13 2.588 20.694 -24.516 100 HA PRO 14 HA PRO 14 4.969 18.041 -18.998 101 HB2 PRO 14 HB2 PRO 14 7.603 17.405 -19.167 102 HB3 PRO 14 HB3 PRO 14 6.367 16.250 -18.657 103 HG2 PRO 14 HG2 PRO 14 7.660 16.580 -21.336 104 HG3 PRO 14 HG3 PRO 14 7.290 15.090 -20.448 105 HD2 PRO 14 HD2 PRO 14 5.738 16.003 -22.470 106 HD3 PRO 14 HD3 PRO 14 5.076 15.109 -21.087 107 H ARG 15 H ARG 15 6.678 18.452 -22.074 108 HA ARG 15 HA ARG 15 7.539 20.301 -23.088 109 HB2 ARG 15 HB2 ARG 15 5.543 21.340 -21.309 110 HB3 ARG 15 HB3 ARG 15 6.924 22.429 -21.326 111 HG2 ARG 15 HG2 ARG 15 5.491 21.450 -23.786 112 HG3 ARG 15 HG3 ARG 15 5.192 22.998 -22.992 113 HD2 ARG 15 HD2 ARG 15 7.224 23.872 -23.632 114 HD3 ARG 15 HD3 ARG 15 7.975 22.285 -23.789 115 HE ARG 15 HE ARG 15 7.292 22.225 -25.967 116 HH11 ARG 15 HH11 ARG 15 5.452 24.649 -24.276 117 HH12 ARG 15 HH12 ARG 15 4.679 25.247 -25.706 118 HH21 ARG 15 HH21 ARG 15 6.281 23.004 -27.858 119 HH22 ARG 15 HH22 ARG 15 5.151 24.310 -27.743 120 H ASN 16 H ASN 16 7.712 21.402 -19.713 121 HA ASN 16 HA ASN 16 10.530 21.952 -20.008 122 HB2 ASN 16 HB2 ASN 16 9.001 23.464 -18.749 123 HB3 ASN 16 HB3 ASN 16 8.787 22.195 -17.546 124 HD21 ASN 16 HD21 ASN 16 10.295 24.979 -18.039 125 HD22 ASN 16 HD22 ASN 16 11.727 24.746 -17.101 126 H VAL 17 H VAL 17 11.256 19.768 -20.360 127 HA VAL 17 HA VAL 17 11.230 18.070 -17.959 128 HB VAL 17 HB VAL 17 11.964 17.304 -20.788 129 HG11 VAL 17 HG11 VAL 17 11.598 14.973 -19.779 130 HG12 VAL 17 HG12 VAL 17 13.095 15.819 -19.384 131 HG13 VAL 17 HG13 VAL 17 11.773 15.771 -18.217 132 HG21 VAL 17 HG21 VAL 17 9.830 16.229 -20.939 133 HG22 VAL 17 HG22 VAL 17 9.457 16.619 -19.260 134 HG23 VAL 17 HG23 VAL 17 9.563 17.906 -20.461 135 H GLY 18 H GLY 18 12.873 19.584 -17.069 136 HA2 GLY 18 HA2 GLY 18 15.434 19.875 -18.207 137 HA3 GLY 18 HA3 GLY 18 15.041 20.087 -16.508 138 H SER 19 H SER 19 15.049 18.206 -15.129 139 HA SER 19 HA SER 19 15.954 16.289 -14.302 140 HB2 SER 19 HB2 SER 19 14.760 15.360 -16.391 141 HB3 SER 19 HB3 SER 19 16.365 15.309 -17.121 142 HG SER 19 HG SER 19 16.182 13.363 -16.190 143 H PHE 20 H PHE 20 17.870 16.564 -13.380 144 HA PHE 20 HA PHE 20 20.145 17.545 -14.827 145 HB2 PHE 20 HB2 PHE 20 21.319 17.350 -12.666 146 HB3 PHE 20 HB3 PHE 20 19.787 18.202 -12.503 147 HD1 PHE 20 HD2 PHE 20 21.512 15.001 -11.894 148 HD2 PHE 20 HD1 PHE 20 18.059 17.368 -11.125 149 HE1 PHE 20 HE2 PHE 20 20.835 13.432 -10.124 150 HE2 PHE 20 HE1 PHE 20 17.377 15.803 -9.353 151 HZ PHE 20 HZ PHE 20 18.765 13.831 -8.851 152 H ASP 21 H ASP 21 22.310 16.256 -13.937 153 HA ASP 21 HA ASP 21 21.961 13.454 -14.773 154 HB2 ASP 21 HB2 ASP 21 24.400 15.064 -15.496 155 HB3 ASP 21 HB3 ASP 21 23.847 13.539 -16.183 156 H ASN 22 H ASN 22 22.237 12.408 -12.886 157 HA ASN 22 HA ASN 22 23.336 11.476 -11.122 158 HB2 ASN 22 HB2 ASN 22 25.438 12.414 -12.841 159 HB3 ASN 22 HB3 ASN 22 25.905 12.662 -11.161 160 HD21 ASN 22 HD21 ASN 22 25.534 10.751 -9.718 161 HD22 ASN 22 HD22 ASN 22 25.919 9.195 -10.365 162 H ASN 23 H ASN 23 25.084 14.566 -11.267 163 HA ASN 23 HA ASN 23 23.554 15.954 -9.385 164 HB2 ASN 23 HB2 ASN 23 25.236 13.934 -8.231 165 HB3 ASN 23 HB3 ASN 23 25.817 15.523 -7.739 166 HD21 ASN 23 HD21 ASN 23 25.182 15.370 -5.635 167 HD22 ASN 23 HD22 ASN 23 23.527 15.338 -5.140 168 H ASP 24 H ASP 24 25.225 17.586 -8.132 169 HA ASP 24 HA ASP 24 27.308 18.428 -10.001 170 HB2 ASP 24 HB2 ASP 24 25.039 19.571 -10.484 171 HB3 ASP 24 HB3 ASP 24 25.331 20.457 -8.989 172 H GLU 25 H GLU 25 26.891 17.416 -7.123 173 HA GLU 25 HA GLU 25 27.931 17.675 -5.117 174 HB2 GLU 25 HB2 GLU 25 29.633 19.801 -6.409 175 HB3 GLU 25 HB3 GLU 25 30.041 18.769 -5.045 176 HG2 GLU 25 HG2 GLU 25 29.473 17.009 -7.121 177 HG3 GLU 25 HG3 GLU 25 30.392 18.315 -7.867 178 H ASN 26 H ASN 26 25.771 19.599 -6.181 179 HA ASN 26 HA ASN 26 25.507 21.106 -3.787 180 HB2 ASN 26 HB2 ASN 26 25.454 23.349 -5.159 181 HB3 ASN 26 HB3 ASN 26 26.979 22.727 -4.534 182 HD21 ASN 26 HD21 ASN 26 24.909 22.359 -7.395 183 HD22 ASN 26 HD22 ASN 26 26.200 22.406 -8.543 184 H VAL 27 H VAL 27 24.025 19.267 -5.528 185 HA VAL 27 HA VAL 27 21.702 20.967 -6.167 186 HB VAL 27 HB VAL 27 22.668 19.779 -8.120 187 HG11 VAL 27 HG11 VAL 27 21.734 17.254 -6.767 188 HG12 VAL 27 HG12 VAL 27 22.573 17.401 -8.313 189 HG13 VAL 27 HG13 VAL 27 23.416 17.781 -6.811 190 HG21 VAL 27 HG21 VAL 27 20.424 20.331 -8.395 191 HG22 VAL 27 HG22 VAL 27 20.460 18.603 -8.750 192 HG23 VAL 27 HG23 VAL 27 19.888 19.170 -7.180 193 H GLY 28 H GLY 28 19.765 20.522 -5.248 194 HA2 GLY 28 HA2 GLY 28 19.716 18.285 -3.323 195 HA3 GLY 28 HA3 GLY 28 18.815 19.783 -3.137 196 H SER 29 H SER 29 18.134 16.789 -3.372 197 HA SER 29 HA SER 29 16.080 17.089 -5.464 198 HB2 SER 29 HB2 SER 29 17.725 14.738 -4.610 199 HB3 SER 29 HB3 SER 29 16.106 14.459 -5.252 200 HG SER 29 HG SER 29 17.241 14.502 -7.060 201 H GLY 30 H GLY 30 13.973 16.669 -4.965 202 HA2 GLY 30 HA2 GLY 30 13.389 15.740 -2.229 203 HA3 GLY 30 HA3 GLY 30 12.638 17.204 -2.846 204 H MET 31 H MET 31 12.146 14.001 -2.326 205 HA MET 31 HA MET 31 10.080 13.877 -4.422 206 HB2 MET 31 HB2 MET 31 11.875 12.298 -4.929 207 HB3 MET 31 HB3 MET 31 11.727 11.591 -3.326 208 HG2 MET 31 HG2 MET 31 9.198 11.592 -4.719 209 HG3 MET 31 HG3 MET 31 10.451 10.767 -5.643 210 HE1 MET 31 HE1 MET 31 7.946 9.190 -4.774 211 HE2 MET 31 HE2 MET 31 7.949 8.459 -3.169 212 HE3 MET 31 HE3 MET 31 7.670 10.192 -3.349 213 H VAL 32 H VAL 32 8.063 13.617 -3.711 214 HA VAL 32 HA VAL 32 7.599 12.359 -1.107 215 HB VAL 32 HB VAL 32 6.085 14.090 -0.374 216 HG11 VAL 32 HG11 VAL 32 8.707 15.294 -1.256 217 HG12 VAL 32 HG12 VAL 32 7.664 15.901 0.032 218 HG13 VAL 32 HG13 VAL 32 8.455 14.333 0.200 219 HG21 VAL 32 HG21 VAL 32 6.576 16.256 -2.076 220 HG22 VAL 32 HG22 VAL 32 6.215 14.891 -3.133 221 HG23 VAL 32 HG23 VAL 32 5.066 15.366 -1.883 222 H GLY 33 H GLY 33 5.428 11.597 -0.800 223 HA2 GLY 33 HA2 GLY 33 3.390 11.814 -2.729 224 HA3 GLY 33 HA3 GLY 33 4.323 10.363 -3.061 225 H ALA 34 H ALA 34 1.956 9.636 -2.615 226 HA ALA 34 HA ALA 34 1.870 8.773 0.194 227 HB1 ALA 34 HB1 ALA 34 0.049 10.003 0.529 228 HB2 ALA 34 HB2 ALA 34 -0.063 10.420 -1.182 229 HB3 ALA 34 HB3 ALA 34 -0.793 8.928 -0.589 230 HA PRO 35 HA PRO 35 1.330 4.728 -1.438 231 HB2 PRO 35 HB2 PRO 35 -0.018 3.560 0.608 232 HB3 PRO 35 HB3 PRO 35 1.700 3.965 0.697 233 HG2 PRO 35 HG2 PRO 35 -0.657 5.459 1.780 234 HG3 PRO 35 HG3 PRO 35 0.910 5.138 2.544 235 HD2 PRO 35 HD2 PRO 35 0.312 7.513 1.391 236 HD3 PRO 35 HD3 PRO 35 1.957 6.847 1.406 237 H ALA 36 H ALA 36 -1.606 5.964 0.175 238 HA ALA 36 HA ALA 36 -3.328 4.410 -1.535 239 HB1 ALA 36 HB1 ALA 36 -4.337 6.625 0.192 240 HB2 ALA 36 HB2 ALA 36 -5.065 5.060 -0.172 241 HB3 ALA 36 HB3 ALA 36 -3.698 5.160 0.939 242 H CYS 37 H CYS 37 -1.754 7.383 -1.789 243 HA CYS 37 HA CYS 37 -3.761 8.589 -3.519 244 HB2 CYS 37 HB2 CYS 37 -2.262 9.832 -1.797 245 HB3 CYS 37 HB3 CYS 37 -1.018 9.716 -3.036 246 HG CYS 37 HG CYS 37 -3.740 10.859 -4.441 247 H GLY 38 H GLY 38 -0.562 7.123 -3.711 248 HA2 GLY 38 HA2 GLY 38 0.519 6.177 -5.512 249 HA3 GLY 38 HA3 GLY 38 -0.943 6.430 -6.454 250 H ALA 39 H ALA 39 -0.043 9.314 -5.053 251 HA ALA 39 HA ALA 39 1.021 10.270 -7.597 252 HB1 ALA 39 HB1 ALA 39 -0.624 11.729 -6.942 253 HB2 ALA 39 HB2 ALA 39 -0.239 11.566 -5.228 254 HB3 ALA 39 HB3 ALA 39 0.803 12.526 -6.278 255 H VAL 40 H VAL 40 2.977 11.364 -7.806 256 HA VAL 40 HA VAL 40 4.765 11.431 -5.491 257 HB VAL 40 HB VAL 40 6.618 10.519 -6.980 258 HG11 VAL 40 HG11 VAL 40 5.844 9.202 -5.163 259 HG12 VAL 40 HG12 VAL 40 4.362 8.772 -6.019 260 HG13 VAL 40 HG13 VAL 40 5.914 8.138 -6.567 261 HG21 VAL 40 HG21 VAL 40 5.906 9.018 -8.791 262 HG22 VAL 40 HG22 VAL 40 4.241 9.553 -8.569 263 HG23 VAL 40 HG23 VAL 40 5.469 10.695 -9.115 264 H MET 41 H MET 41 5.876 13.274 -5.404 265 HA MET 41 HA MET 41 6.019 14.919 -7.842 266 HB2 MET 41 HB2 MET 41 5.862 15.689 -4.931 267 HB3 MET 41 HB3 MET 41 6.316 16.832 -6.188 268 HG2 MET 41 HG2 MET 41 3.853 15.358 -6.742 269 HG3 MET 41 HG3 MET 41 3.784 16.382 -5.309 270 HE1 MET 41 HE1 MET 41 3.164 18.417 -5.218 271 HE2 MET 41 HE2 MET 41 3.200 19.708 -6.418 272 HE3 MET 41 HE3 MET 41 1.949 18.467 -6.496 273 H LYS 42 H LYS 42 7.967 14.653 -8.737 274 HA LYS 42 HA LYS 42 10.326 14.539 -6.988 275 HB2 LYS 42 HB2 LYS 42 10.115 13.834 -9.921 276 HB3 LYS 42 HB3 LYS 42 11.509 13.573 -8.881 277 HG2 LYS 42 HG2 LYS 42 9.808 12.165 -7.472 278 HG3 LYS 42 HG3 LYS 42 8.927 12.097 -9.000 279 HD2 LYS 42 HD2 LYS 42 10.335 10.175 -8.901 280 HD3 LYS 42 HD3 LYS 42 11.044 11.286 -10.076 281 HE2 LYS 42 HE2 LYS 42 12.931 11.422 -8.906 282 HE3 LYS 42 HE3 LYS 42 12.053 11.816 -7.429 283 HZ1 LYS 42 HZ1 LYS 42 11.924 9.039 -8.239 284 HZ2 LYS 42 HZ2 LYS 42 12.160 9.710 -6.705 285 HZ3 LYS 42 HZ3 LYS 42 13.461 9.575 -7.778 286 H LEU 43 H LEU 43 11.392 16.378 -6.729 287 HA LEU 43 HA LEU 43 11.751 18.150 -9.037 288 HB2 LEU 43 HB2 LEU 43 10.540 18.824 -6.405 289 HB3 LEU 43 HB3 LEU 43 11.564 20.027 -7.186 290 HG LEU 43 HG LEU 43 10.051 19.803 -9.207 291 HD11 LEU 43 HD11 LEU 43 7.692 19.043 -7.935 292 HD12 LEU 43 HD12 LEU 43 8.874 17.814 -7.487 293 HD13 LEU 43 HD13 LEU 43 8.562 18.158 -9.188 294 HD21 LEU 43 HD21 LEU 43 9.920 21.745 -7.820 295 HD22 LEU 43 HD22 LEU 43 8.996 20.874 -6.595 296 HD23 LEU 43 HD23 LEU 43 8.274 21.215 -8.169 297 H GLN 44 H GLN 44 13.555 19.652 -8.785 298 HA GLN 44 HA GLN 44 15.484 18.948 -6.704 299 HB2 GLN 44 HB2 GLN 44 17.250 18.481 -8.203 300 HB3 GLN 44 HB3 GLN 44 15.877 17.556 -8.794 301 HG2 GLN 44 HG2 GLN 44 16.404 18.430 -10.775 302 HG3 GLN 44 HG3 GLN 44 15.593 19.876 -10.176 303 HE21 GLN 44 HE21 GLN 44 18.029 19.193 -11.954 304 HE22 GLN 44 HE22 GLN 44 19.234 20.299 -11.397 305 H ILE 45 H ILE 45 17.014 20.554 -6.255 306 HA ILE 45 HA ILE 45 16.537 23.142 -7.581 307 HB ILE 45 HB ILE 45 16.815 24.300 -5.502 308 HG12 ILE 45 HG12 ILE 45 17.308 21.575 -4.283 309 HG13 ILE 45 HG13 ILE 45 18.493 22.864 -4.469 310 HG21 ILE 45 HG21 ILE 45 14.781 23.803 -4.514 311 HG22 ILE 45 HG22 ILE 45 14.600 23.112 -6.125 312 HG23 ILE 45 HG23 ILE 45 14.972 22.067 -4.754 313 HD11 ILE 45 HD11 ILE 45 17.964 23.489 -2.413 314 HD12 ILE 45 HD12 ILE 45 16.414 24.032 -3.056 315 HD13 ILE 45 HD13 ILE 45 16.567 22.413 -2.373 316 H LYS 46 H LYS 46 18.377 24.719 -7.119 317 HA LYS 46 HA LYS 46 20.972 23.365 -6.943 318 HB2 LYS 46 HB2 LYS 46 20.085 23.839 -9.370 319 HB3 LYS 46 HB3 LYS 46 20.583 25.488 -9.017 320 HG2 LYS 46 HG2 LYS 46 22.480 23.218 -8.595 321 HG3 LYS 46 HG3 LYS 46 22.227 23.891 -10.207 322 HD2 LYS 46 HD2 LYS 46 22.884 26.088 -9.427 323 HD3 LYS 46 HD3 LYS 46 23.036 25.485 -7.775 324 HE2 LYS 46 HE2 LYS 46 25.141 24.909 -8.179 325 HE3 LYS 46 HE3 LYS 46 24.600 23.822 -9.458 326 HZ1 LYS 46 HZ1 LYS 46 25.654 25.154 -10.862 327 HZ2 LYS 46 HZ2 LYS 46 25.934 26.323 -9.672 328 HZ3 LYS 46 HZ3 LYS 46 24.488 26.340 -10.550 329 H VAL 47 H VAL 47 22.143 24.329 -5.433 330 HA VAL 47 HA VAL 47 21.585 27.134 -4.769 331 HB VAL 47 HB VAL 47 23.214 25.165 -3.164 332 HG11 VAL 47 HG11 VAL 47 22.390 27.973 -2.832 333 HG12 VAL 47 HG12 VAL 47 22.221 26.950 -1.403 334 HG13 VAL 47 HG13 VAL 47 23.791 27.116 -2.190 335 HG21 VAL 47 HG21 VAL 47 20.749 25.676 -1.903 336 HG22 VAL 47 HG22 VAL 47 20.383 25.252 -3.575 337 HG23 VAL 47 HG23 VAL 47 21.328 24.151 -2.573 338 H ASN 48 H ASN 48 23.177 28.686 -4.729 339 HA ASN 48 HA ASN 48 25.635 27.991 -6.171 340 HB2 ASN 48 HB2 ASN 48 25.705 30.162 -6.982 341 HB3 ASN 48 HB3 ASN 48 23.968 29.890 -6.865 342 HD21 ASN 48 HD21 ASN 48 22.982 30.565 -4.757 343 HD22 ASN 48 HD22 ASN 48 23.540 32.049 -4.071 344 H ASP 49 H ASP 49 27.332 29.964 -5.491 345 HA ASP 49 HA ASP 49 28.468 29.092 -3.100 346 HB2 ASP 49 HB2 ASP 49 28.873 31.575 -4.754 347 HB3 ASP 49 HB3 ASP 49 29.784 31.300 -3.271 348 H GLU 50 H GLU 50 26.549 32.012 -3.754 349 HA GLU 50 HA GLU 50 26.661 33.207 -1.269 350 HB2 GLU 50 HB2 GLU 50 25.232 33.608 -3.621 351 HB3 GLU 50 HB3 GLU 50 23.987 33.351 -2.406 352 HG2 GLU 50 HG2 GLU 50 24.203 35.475 -1.839 353 HG3 GLU 50 HG3 GLU 50 25.806 35.090 -1.216 354 H GLY 51 H GLY 51 24.289 30.804 -2.410 355 HA2 GLY 51 HA2 GLY 51 23.773 28.997 -0.791 356 HA3 GLY 51 HA3 GLY 51 23.658 30.259 0.426 357 H ILE 52 H ILE 52 22.414 30.857 -2.748 358 HA ILE 52 HA ILE 52 19.675 30.478 -1.726 359 HB ILE 52 HB ILE 52 20.784 32.743 -3.370 360 HG12 ILE 52 HG12 ILE 52 19.239 33.892 -1.514 361 HG13 ILE 52 HG13 ILE 52 19.608 32.399 -0.657 362 HG21 ILE 52 HG21 ILE 52 17.959 31.780 -3.122 363 HG22 ILE 52 HG22 ILE 52 18.315 33.484 -3.400 364 HG23 ILE 52 HG23 ILE 52 18.845 32.271 -4.565 365 HD11 ILE 52 HD11 ILE 52 21.660 33.085 -0.171 366 HD12 ILE 52 HD12 ILE 52 21.967 33.601 -1.829 367 HD13 ILE 52 HD13 ILE 52 21.141 34.682 -0.708 368 H ILE 53 H ILE 53 18.175 29.600 -3.098 369 HA ILE 53 HA ILE 53 19.063 27.903 -5.144 370 HB ILE 53 HB ILE 53 16.259 28.939 -4.713 371 HG12 ILE 53 HG12 ILE 53 17.071 27.920 -2.679 372 HG13 ILE 53 HG13 ILE 53 15.952 26.804 -3.455 373 HG21 ILE 53 HG21 ILE 53 16.081 27.925 -6.748 374 HG22 ILE 53 HG22 ILE 53 17.434 26.836 -6.448 375 HG23 ILE 53 HG23 ILE 53 15.866 26.519 -5.706 376 HD11 ILE 53 HD11 ILE 53 17.872 25.626 -2.580 377 HD12 ILE 53 HD12 ILE 53 17.851 25.541 -4.342 378 HD13 ILE 53 HD13 ILE 53 18.955 26.647 -3.526 379 H GLU 54 H GLU 54 19.663 28.333 -7.154 380 HA GLU 54 HA GLU 54 18.650 30.789 -8.428 381 HB2 GLU 54 HB2 GLU 54 21.013 30.980 -8.114 382 HB3 GLU 54 HB3 GLU 54 21.289 29.359 -8.736 383 HG2 GLU 54 HG2 GLU 54 20.727 30.029 -10.950 384 HG3 GLU 54 HG3 GLU 54 20.167 31.604 -10.390 385 H ASP 55 H ASP 55 18.877 27.376 -8.621 386 HA ASP 55 HA ASP 55 17.500 27.444 -11.213 387 HB2 ASP 55 HB2 ASP 55 20.096 26.636 -11.023 388 HB3 ASP 55 HB3 ASP 55 19.248 25.110 -10.789 389 H ALA 56 H ALA 56 15.853 25.993 -11.454 390 HA ALA 56 HA ALA 56 15.431 24.004 -9.341 391 HB1 ALA 56 HB1 ALA 56 14.170 26.253 -8.990 392 HB2 ALA 56 HB2 ALA 56 13.102 25.638 -10.252 393 HB3 ALA 56 HB3 ALA 56 13.319 24.726 -8.759 394 H ARG 57 H ARG 57 15.309 22.117 -10.355 395 HA ARG 57 HA ARG 57 13.917 22.002 -12.950 396 HB2 ARG 57 HB2 ARG 57 16.493 21.070 -12.176 397 HB3 ARG 57 HB3 ARG 57 15.492 19.664 -12.510 398 HG2 ARG 57 HG2 ARG 57 16.444 20.122 -14.563 399 HG3 ARG 57 HG3 ARG 57 14.869 20.908 -14.683 400 HD2 ARG 57 HD2 ARG 57 16.329 22.922 -13.650 401 HD3 ARG 57 HD3 ARG 57 17.575 22.077 -14.567 402 HE ARG 57 HE ARG 57 15.359 23.578 -15.623 403 HH11 ARG 57 HH11 ARG 57 17.700 21.080 -16.254 404 HH12 ARG 57 HH12 ARG 57 17.631 21.269 -17.975 405 HH21 ARG 57 HH21 ARG 57 15.259 23.836 -17.887 406 HH22 ARG 57 HH22 ARG 57 16.243 22.837 -18.903 407 H PHE 58 H PHE 58 13.024 19.735 -13.400 408 HA PHE 58 HA PHE 58 12.198 18.182 -11.135 409 HB2 PHE 58 HB2 PHE 58 9.848 18.609 -11.210 410 HB3 PHE 58 HB3 PHE 58 10.649 20.172 -11.086 411 HD1 PHE 58 HD1 PHE 58 11.043 21.451 -13.284 412 HD2 PHE 58 HD2 PHE 58 8.295 18.226 -12.881 413 HE1 PHE 58 HE1 PHE 58 9.847 22.224 -15.291 414 HE2 PHE 58 HE2 PHE 58 7.095 18.993 -14.887 415 HZ PHE 58 HZ PHE 58 7.871 20.994 -16.095 416 H LYS 59 H LYS 59 10.383 16.574 -11.933 417 HA LYS 59 HA LYS 59 10.756 15.874 -14.745 418 HB2 LYS 59 HB2 LYS 59 11.910 14.433 -12.480 419 HB3 LYS 59 HB3 LYS 59 10.914 13.407 -13.504 420 HG2 LYS 59 HG2 LYS 59 12.702 15.109 -15.035 421 HG3 LYS 59 HG3 LYS 59 13.558 14.047 -13.914 422 HD2 LYS 59 HD2 LYS 59 12.849 12.138 -14.968 423 HD3 LYS 59 HD3 LYS 59 11.370 12.891 -15.570 424 HE2 LYS 59 HE2 LYS 59 12.775 14.231 -17.134 425 HE3 LYS 59 HE3 LYS 59 14.173 13.298 -16.603 426 HZ1 LYS 59 HZ1 LYS 59 12.900 11.276 -17.315 427 HZ2 LYS 59 HZ2 LYS 59 13.394 12.294 -18.571 428 HZ3 LYS 59 HZ3 LYS 59 11.784 12.313 -18.052 429 H THR 60 H THR 60 9.137 14.507 -15.591 430 HA THR 60 HA THR 60 6.585 14.815 -14.331 431 HB THR 60 HB THR 60 6.801 14.931 -16.772 432 HG1 THR 60 HG1 THR 60 5.281 12.606 -16.307 433 HG21 THR 60 HG21 THR 60 7.750 13.342 -18.055 434 HG22 THR 60 HG22 THR 60 7.007 12.027 -17.145 435 HG23 THR 60 HG23 THR 60 8.478 12.792 -16.547 436 H TYR 61 H TYR 61 5.386 13.359 -13.234 437 HA TYR 61 HA TYR 61 5.627 10.576 -13.351 438 HB2 TYR 61 HB2 TYR 61 7.777 11.627 -11.998 439 HB3 TYR 61 HB3 TYR 61 6.661 11.251 -10.690 440 HD1 TYR 61 HD1 TYR 61 5.383 8.815 -11.404 441 HD2 TYR 61 HD2 TYR 61 9.399 9.999 -12.161 442 HE1 TYR 61 HE1 TYR 61 6.054 6.451 -11.505 443 HE2 TYR 61 HE2 TYR 61 10.081 7.638 -12.266 444 HH TYR 61 HH TYR 61 8.952 5.346 -11.142 445 H GLY 62 H GLY 62 3.582 10.079 -12.934 446 HA2 GLY 62 HA2 GLY 62 2.148 9.825 -10.818 447 HA3 GLY 62 HA3 GLY 62 2.164 11.582 -10.835 448 H CYS 63 H CYS 63 -0.194 10.088 -10.908 449 HA CYS 63 HA CYS 63 -1.159 9.777 -13.570 450 HB2 CYS 63 HB2 CYS 63 -2.135 8.532 -11.702 451 HB3 CYS 63 HB3 CYS 63 -2.668 10.037 -10.960 452 HG CYS 63 HG CYS 63 -5.017 9.726 -11.954 453 H GLY 64 H GLY 64 -2.181 11.180 -14.888 454 HA2 GLY 64 HA2 GLY 64 -3.424 13.091 -15.457 455 HA3 GLY 64 HA3 GLY 64 -3.170 13.713 -13.833 456 H SER 65 H SER 65 -2.421 15.719 -14.364 457 HA SER 65 HA SER 65 0.216 15.786 -15.662 458 HB2 SER 65 HB2 SER 65 -2.248 17.252 -16.424 459 HB3 SER 65 HB3 SER 65 -0.750 18.183 -16.432 460 HG SER 65 HG SER 65 -0.098 17.111 -18.125 461 H ALA 66 H ALA 66 -1.997 18.167 -14.201 462 HA ALA 66 HA ALA 66 -1.653 19.776 -12.622 463 HB1 ALA 66 HB1 ALA 66 -0.400 17.321 -11.514 464 HB2 ALA 66 HB2 ALA 66 -0.135 18.845 -10.665 465 HB3 ALA 66 HB3 ALA 66 -1.776 18.256 -10.927 466 H ILE 67 H ILE 67 -0.396 20.905 -14.355 467 HA ILE 67 HA ILE 67 2.488 20.924 -14.014 468 HB ILE 67 HB ILE 67 2.458 22.620 -15.832 469 HG12 ILE 67 HG12 ILE 67 -0.157 22.239 -16.841 470 HG13 ILE 67 HG13 ILE 67 -0.333 22.688 -15.148 471 HG21 ILE 67 HG21 ILE 67 1.279 20.935 -17.513 472 HG22 ILE 67 HG22 ILE 67 2.825 20.572 -16.749 473 HG23 ILE 67 HG23 ILE 67 1.338 19.888 -16.095 474 HD11 ILE 67 HD11 ILE 67 -0.258 24.513 -16.996 475 HD12 ILE 67 HD12 ILE 67 0.585 24.766 -15.468 476 HD13 ILE 67 HD13 ILE 67 1.485 24.267 -16.900 477 H ALA 68 H ALA 68 -0.290 22.885 -13.206 478 HA ALA 68 HA ALA 68 1.126 25.249 -12.522 479 HB1 ALA 68 HB1 ALA 68 -1.405 24.890 -12.979 480 HB2 ALA 68 HB2 ALA 68 -1.482 24.518 -11.257 481 HB3 ALA 68 HB3 ALA 68 -0.898 26.093 -11.793 482 H SER 69 H SER 69 -0.261 22.648 -10.516 483 HA SER 69 HA SER 69 0.455 23.514 -8.021 484 HB2 SER 69 HB2 SER 69 0.773 20.627 -8.838 485 HB3 SER 69 HB3 SER 69 0.267 21.269 -7.276 486 HG SER 69 HG SER 69 -1.189 20.918 -9.616 487 H SER 70 H SER 70 2.493 21.882 -10.396 488 HA SER 70 HA SER 70 4.774 21.876 -8.607 489 HB2 SER 70 HB2 SER 70 5.687 20.359 -10.024 490 HB3 SER 70 HB3 SER 70 4.046 20.234 -10.658 491 HG SER 70 HG SER 70 4.634 21.266 -12.415 492 H SER 71 H SER 71 3.469 23.821 -11.156 493 HA SER 71 HA SER 71 5.843 25.176 -11.901 494 HB2 SER 71 HB2 SER 71 3.913 25.225 -13.364 495 HB3 SER 71 HB3 SER 71 2.938 26.000 -12.116 496 HG SER 71 HG SER 71 3.916 27.867 -12.480 497 H LEU 72 H LEU 72 3.211 26.028 -9.667 498 HA LEU 72 HA LEU 72 4.189 28.509 -8.852 499 HB2 LEU 72 HB2 LEU 72 2.870 28.051 -6.744 500 HB3 LEU 72 HB3 LEU 72 1.983 27.981 -8.265 501 HG LEU 72 HG LEU 72 2.687 25.366 -7.909 502 HD11 LEU 72 HD11 LEU 72 2.710 24.724 -5.735 503 HD12 LEU 72 HD12 LEU 72 1.700 26.070 -5.208 504 HD13 LEU 72 HD13 LEU 72 3.414 26.329 -5.535 505 HD21 LEU 72 HD21 LEU 72 0.518 25.467 -8.435 506 HD22 LEU 72 HD22 LEU 72 0.301 27.021 -7.629 507 HD23 LEU 72 HD23 LEU 72 0.233 25.525 -6.695 508 H VAL 73 H VAL 73 4.628 25.325 -7.315 509 HA VAL 73 HA VAL 73 6.288 26.164 -5.229 510 HB VAL 73 HB VAL 73 7.094 23.800 -5.166 511 HG11 VAL 73 HG11 VAL 73 4.647 24.831 -4.497 512 HG12 VAL 73 HG12 VAL 73 4.213 23.409 -5.447 513 HG13 VAL 73 HG13 VAL 73 5.249 23.241 -4.029 514 HG21 VAL 73 HG21 VAL 73 5.920 22.197 -6.694 515 HG22 VAL 73 HG22 VAL 73 5.396 23.586 -7.646 516 HG23 VAL 73 HG23 VAL 73 7.115 23.228 -7.482 517 H THR 74 H THR 74 7.071 25.111 -8.514 518 HA THR 74 HA THR 74 9.880 25.121 -8.198 519 HB THR 74 HB THR 74 9.877 25.363 -10.742 520 HG1 THR 74 HG1 THR 74 7.915 26.289 -11.154 521 HG21 THR 74 HG21 THR 74 8.607 23.059 -10.938 522 HG22 THR 74 HG22 THR 74 8.635 23.150 -9.177 523 HG23 THR 74 HG23 THR 74 10.146 23.178 -10.087 524 H GLU 75 H GLU 75 7.611 27.561 -9.426 525 HA GLU 75 HA GLU 75 9.585 29.487 -10.065 526 HB2 GLU 75 HB2 GLU 75 6.681 29.958 -9.371 527 HB3 GLU 75 HB3 GLU 75 7.740 31.062 -10.237 528 HG2 GLU 75 HG2 GLU 75 7.501 28.388 -11.421 529 HG3 GLU 75 HG3 GLU 75 6.019 29.343 -11.412 530 H TRP 76 H TRP 76 7.955 28.625 -7.119 531 HA TRP 76 HA TRP 76 8.567 31.027 -5.697 532 HB2 TRP 76 HB2 TRP 76 7.336 28.419 -5.091 533 HB3 TRP 76 HB3 TRP 76 8.194 29.158 -3.742 534 HD1 TRP 76 HD1 TRP 76 4.850 28.953 -4.908 535 HE1 TRP 76 HE1 TRP 76 3.438 31.005 -4.260 536 HE3 TRP 76 HE3 TRP 76 8.623 32.185 -3.702 537 HZ2 TRP 76 HZ2 TRP 76 3.867 33.645 -3.357 538 HZ3 TRP 76 HZ3 TRP 76 8.037 34.456 -2.955 539 HH2 TRP 76 HH2 TRP 76 5.708 35.169 -2.788 540 H VAL 77 H VAL 77 10.063 27.833 -5.959 541 HA VAL 77 HA VAL 77 12.127 28.417 -4.053 542 HB VAL 77 HB VAL 77 13.153 26.309 -4.826 543 HG11 VAL 77 HG11 VAL 77 11.800 25.302 -3.383 544 HG12 VAL 77 HG12 VAL 77 10.675 26.653 -3.530 545 HG13 VAL 77 HG13 VAL 77 10.510 25.247 -4.583 546 HG21 VAL 77 HG21 VAL 77 12.014 24.934 -6.493 547 HG22 VAL 77 HG22 VAL 77 10.848 26.227 -6.773 548 HG23 VAL 77 HG23 VAL 77 12.545 26.465 -7.189 549 H LYS 78 H LYS 78 11.764 28.624 -7.528 550 HA LYS 78 HA LYS 78 14.482 28.904 -8.213 551 HB2 LYS 78 HB2 LYS 78 11.892 29.284 -9.515 552 HB3 LYS 78 HB3 LYS 78 13.118 30.408 -10.086 553 HG2 LYS 78 HG2 LYS 78 14.413 27.958 -10.032 554 HG3 LYS 78 HG3 LYS 78 12.794 27.588 -10.630 555 HD2 LYS 78 HD2 LYS 78 13.509 29.911 -11.973 556 HD3 LYS 78 HD3 LYS 78 14.990 28.952 -11.944 557 HE2 LYS 78 HE2 LYS 78 14.047 28.090 -13.826 558 HE3 LYS 78 HE3 LYS 78 13.300 27.025 -12.636 559 HZ1 LYS 78 HZ1 LYS 78 11.998 29.529 -13.522 560 HZ2 LYS 78 HZ2 LYS 78 11.299 28.200 -12.743 561 HZ3 LYS 78 HZ3 LYS 78 11.789 28.072 -14.358 562 H GLY 79 H GLY 79 15.541 30.314 -6.838 563 HA2 GLY 79 HA2 GLY 79 16.497 32.498 -6.774 564 HA3 GLY 79 HA3 GLY 79 14.963 33.151 -7.330 565 H LYS 80 H LYS 80 15.524 30.875 -4.681 566 HA LYS 80 HA LYS 80 14.930 32.955 -2.723 567 HB2 LYS 80 HB2 LYS 80 12.920 31.265 -3.661 568 HB3 LYS 80 HB3 LYS 80 13.408 30.552 -2.129 569 HG2 LYS 80 HG2 LYS 80 11.962 31.987 -1.224 570 HG3 LYS 80 HG3 LYS 80 13.227 33.192 -1.479 571 HD2 LYS 80 HD2 LYS 80 12.242 33.894 -3.538 572 HD3 LYS 80 HD3 LYS 80 11.103 32.546 -3.518 573 HE2 LYS 80 HE2 LYS 80 9.704 33.592 -2.100 574 HE3 LYS 80 HE3 LYS 80 11.020 34.261 -1.137 575 HZ1 LYS 80 HZ1 LYS 80 11.327 35.990 -2.749 576 HZ2 LYS 80 HZ2 LYS 80 9.699 35.965 -2.292 577 HZ3 LYS 80 HZ3 LYS 80 10.169 35.313 -3.780 578 H SER 81 H SER 81 15.985 32.670 -0.839 579 HA SER 81 HA SER 81 18.092 30.878 -0.613 580 HB2 SER 81 HB2 SER 81 18.301 31.606 1.677 581 HB3 SER 81 HB3 SER 81 17.801 32.992 0.708 582 HG SER 81 HG SER 81 16.655 32.326 2.835 583 H LEU 82 H LEU 82 18.264 29.415 1.473 584 HA LEU 82 HA LEU 82 16.552 27.199 1.015 585 HB2 LEU 82 HB2 LEU 82 18.273 27.548 3.447 586 HB3 LEU 82 HB3 LEU 82 17.821 26.056 2.626 587 HG LEU 82 HG LEU 82 19.730 28.141 1.566 588 HD11 LEU 82 HD11 LEU 82 20.604 25.391 2.185 589 HD12 LEU 82 HD12 LEU 82 20.269 26.438 3.563 590 HD13 LEU 82 HD13 LEU 82 21.459 26.924 2.356 591 HD21 LEU 82 HD21 LEU 82 20.234 26.207 -0.044 592 HD22 LEU 82 HD22 LEU 82 18.773 27.156 -0.320 593 HD23 LEU 82 HD23 LEU 82 18.663 25.571 0.447 594 H ASP 83 H ASP 83 16.853 29.494 3.710 595 HA ASP 83 HA ASP 83 14.816 28.387 5.306 596 HB2 ASP 83 HB2 ASP 83 16.364 30.896 5.243 597 HB3 ASP 83 HB3 ASP 83 14.779 31.022 6.002 598 H GLU 84 H GLU 84 14.757 31.005 2.909 599 HA GLU 84 HA GLU 84 12.133 31.833 3.206 600 HB2 GLU 84 HB2 GLU 84 13.936 31.719 0.799 601 HB3 GLU 84 HB3 GLU 84 12.307 32.373 0.697 602 HG2 GLU 84 HG2 GLU 84 14.486 33.380 2.513 603 HG3 GLU 84 HG3 GLU 84 13.985 34.121 0.994 604 H ALA 85 H ALA 85 13.355 29.399 0.902 605 HA ALA 85 HA ALA 85 10.834 28.604 -0.051 606 HB1 ALA 85 HB1 ALA 85 12.145 27.528 -1.477 607 HB2 ALA 85 HB2 ALA 85 13.549 27.855 -0.459 608 HB3 ALA 85 HB3 ALA 85 12.595 26.394 -0.202 609 H GLN 86 H GLN 86 12.868 27.311 2.550 610 HA GLN 86 HA GLN 86 11.177 25.130 3.184 611 HB2 GLN 86 HB2 GLN 86 13.665 25.638 3.852 612 HB3 GLN 86 HB3 GLN 86 12.925 26.425 5.240 613 HG2 GLN 86 HG2 GLN 86 11.614 24.090 5.305 614 HG3 GLN 86 HG3 GLN 86 13.124 23.564 4.562 615 HE21 GLN 86 HE21 GLN 86 12.284 25.903 7.097 616 HE22 GLN 86 HE22 GLN 86 13.368 25.266 8.282 617 H ALA 87 H ALA 87 10.836 28.452 3.675 618 HA ALA 87 HA ALA 87 9.259 28.261 6.095 619 HB1 ALA 87 HB1 ALA 87 10.513 30.368 4.573 620 HB2 ALA 87 HB2 ALA 87 8.848 30.780 4.983 621 HB3 ALA 87 HB3 ALA 87 9.990 30.354 6.258 622 H ILE 88 H ILE 88 8.739 28.051 2.718 623 HA ILE 88 HA ILE 88 6.194 29.045 2.353 624 HB ILE 88 HB ILE 88 7.332 26.518 1.151 625 HG12 ILE 88 HG12 ILE 88 7.253 29.267 -0.084 626 HG13 ILE 88 HG13 ILE 88 8.618 28.717 0.881 627 HG21 ILE 88 HG21 ILE 88 4.964 26.549 0.821 628 HG22 ILE 88 HG22 ILE 88 5.002 28.242 0.332 629 HG23 ILE 88 HG23 ILE 88 5.731 27.010 -0.698 630 HD11 ILE 88 HD11 ILE 88 7.652 27.108 -1.443 631 HD12 ILE 88 HD12 ILE 88 8.725 28.489 -1.675 632 HD13 ILE 88 HD13 ILE 88 9.241 27.128 -0.680 633 H LYS 89 H LYS 89 4.119 28.262 2.595 634 HA LYS 89 HA LYS 89 3.840 25.875 4.302 635 HB2 LYS 89 HB2 LYS 89 2.361 28.499 4.372 636 HB3 LYS 89 HB3 LYS 89 1.714 27.046 5.122 637 HG2 LYS 89 HG2 LYS 89 2.792 27.772 6.940 638 HG3 LYS 89 HG3 LYS 89 4.222 27.095 6.157 639 HD2 LYS 89 HD2 LYS 89 4.883 29.255 6.739 640 HD3 LYS 89 HD3 LYS 89 4.441 29.401 5.037 641 HE2 LYS 89 HE2 LYS 89 3.528 31.263 6.271 642 HE3 LYS 89 HE3 LYS 89 2.216 30.224 5.719 643 HZ1 LYS 89 HZ1 LYS 89 1.658 29.674 7.808 644 HZ2 LYS 89 HZ2 LYS 89 2.458 31.106 8.221 645 HZ3 LYS 89 HZ3 LYS 89 3.258 29.621 8.356 646 H ASN 90 H ASN 90 2.327 24.379 3.754 647 HA ASN 90 HA ASN 90 1.515 24.041 1.157 648 HB2 ASN 90 HB2 ASN 90 -0.083 22.383 1.992 649 HB3 ASN 90 HB3 ASN 90 1.448 22.258 2.853 650 HD21 ASN 90 HD21 ASN 90 -1.905 23.007 3.070 651 HD22 ASN 90 HD22 ASN 90 -1.976 23.184 4.787 652 H THR 91 H THR 91 -0.266 25.595 3.791 653 HA THR 91 HA THR 91 -2.722 25.986 2.624 654 HB THR 91 HB THR 91 -2.270 26.647 4.926 655 HG1 THR 91 HG1 THR 91 -3.688 28.278 4.864 656 HG21 THR 91 HG21 THR 91 -0.938 29.157 3.994 657 HG22 THR 91 HG22 THR 91 0.016 27.689 4.210 658 HG23 THR 91 HG23 THR 91 -0.872 28.373 5.571 659 H ASP 92 H ASP 92 0.267 27.745 2.049 660 HA ASP 92 HA ASP 92 -0.897 29.827 0.497 661 HB2 ASP 92 HB2 ASP 92 1.742 29.056 1.377 662 HB3 ASP 92 HB3 ASP 92 1.773 29.511 -0.324 663 H ILE 93 H ILE 93 0.532 26.696 -0.268 664 HA ILE 93 HA ILE 93 0.435 27.064 -3.101 665 HB ILE 93 HB ILE 93 0.741 24.569 -1.430 666 HG12 ILE 93 HG12 ILE 93 3.094 24.782 -2.550 667 HG13 ILE 93 HG13 ILE 93 2.630 26.463 -2.792 668 HG21 ILE 93 HG21 ILE 93 0.271 24.906 -4.286 669 HG22 ILE 93 HG22 ILE 93 1.729 23.985 -3.922 670 HG23 ILE 93 HG23 ILE 93 0.172 23.459 -3.283 671 HD11 ILE 93 HD11 ILE 93 3.905 25.531 -0.610 672 HD12 ILE 93 HD12 ILE 93 2.890 26.974 -0.626 673 HD13 ILE 93 HD13 ILE 93 2.228 25.436 -0.072 674 H ALA 94 H ALA 94 -1.695 25.643 -0.692 675 HA ALA 94 HA ALA 94 -3.472 24.336 -2.432 676 HB1 ALA 94 HB1 ALA 94 -3.227 24.493 0.256 677 HB2 ALA 94 HB2 ALA 94 -4.648 25.505 -0.004 678 HB3 ALA 94 HB3 ALA 94 -4.638 23.836 -0.574 679 H GLU 95 H GLU 95 -3.578 27.605 -1.034 680 HA GLU 95 HA GLU 95 -5.976 28.308 -2.438 681 HB2 GLU 95 HB2 GLU 95 -3.970 30.038 -0.980 682 HB3 GLU 95 HB3 GLU 95 -5.530 30.586 -1.578 683 HG2 GLU 95 HG2 GLU 95 -5.379 28.279 0.310 684 HG3 GLU 95 HG3 GLU 95 -5.259 29.931 0.912 685 H GLU 96 H GLU 96 -2.592 28.412 -3.111 686 HA GLU 96 HA GLU 96 -2.506 30.471 -5.010 687 HB2 GLU 96 HB2 GLU 96 -0.798 28.238 -4.201 688 HB3 GLU 96 HB3 GLU 96 -0.649 28.638 -5.906 689 HG2 GLU 96 HG2 GLU 96 -0.219 30.478 -3.567 690 HG3 GLU 96 HG3 GLU 96 1.003 29.849 -4.671 691 H LEU 97 H LEU 97 -3.048 26.983 -5.424 692 HA LEU 97 HA LEU 97 -3.872 27.487 -8.198 693 HB2 LEU 97 HB2 LEU 97 -2.326 25.460 -6.982 694 HB3 LEU 97 HB3 LEU 97 -3.820 24.707 -7.536 695 HG LEU 97 HG LEU 97 -1.912 24.594 -9.149 696 HD11 LEU 97 HD11 LEU 97 -3.869 24.191 -10.238 697 HD12 LEU 97 HD12 LEU 97 -3.395 25.681 -11.052 698 HD13 LEU 97 HD13 LEU 97 -4.588 25.727 -9.753 699 HD21 LEU 97 HD21 LEU 97 -0.792 26.403 -9.792 700 HD22 LEU 97 HD22 LEU 97 -1.648 27.294 -8.533 701 HD23 LEU 97 HD23 LEU 97 -2.281 27.266 -10.179 702 H GLU 98 H GLU 98 -5.186 27.168 -5.184 703 HA GLU 98 HA GLU 98 -7.251 26.661 -4.360 704 HB2 GLU 98 HB2 GLU 98 -8.014 27.370 -7.198 705 HB3 GLU 98 HB3 GLU 98 -9.154 27.206 -5.870 706 HG2 GLU 98 HG2 GLU 98 -7.342 28.970 -4.846 707 HG3 GLU 98 HG3 GLU 98 -7.369 29.410 -6.552 708 H LEU 99 H LEU 99 -6.031 24.383 -4.668 709 HA LEU 99 HA LEU 99 -7.011 22.523 -6.506 710 HB2 LEU 99 HB2 LEU 99 -5.557 22.452 -3.964 711 HB3 LEU 99 HB3 LEU 99 -6.506 21.005 -4.295 712 HG LEU 99 HG LEU 99 -5.307 20.779 -6.459 713 HD11 LEU 99 HD11 LEU 99 -3.001 22.267 -6.013 714 HD12 LEU 99 HD12 LEU 99 -4.328 23.383 -5.693 715 HD13 LEU 99 HD13 LEU 99 -4.229 22.553 -7.246 716 HD21 LEU 99 HD21 LEU 99 -3.160 20.889 -4.423 717 HD22 LEU 99 HD22 LEU 99 -3.633 19.580 -5.506 718 HD23 LEU 99 HD23 LEU 99 -4.574 19.903 -4.049 719 HA PRO 100 HA PRO 100 -11.094 21.565 -5.208 720 HB2 PRO 100 HB2 PRO 100 -11.231 18.924 -5.823 721 HB3 PRO 100 HB3 PRO 100 -11.229 20.197 -7.049 722 HG2 PRO 100 HG2 PRO 100 -8.970 18.477 -6.099 723 HG3 PRO 100 HG3 PRO 100 -9.396 18.950 -7.754 724 HD2 PRO 100 HD2 PRO 100 -7.419 20.161 -6.356 725 HD3 PRO 100 HD3 PRO 100 -8.411 21.024 -7.549 726 HA PRO 101 HA PRO 101 -11.046 19.930 -1.120 727 HB2 PRO 101 HB2 PRO 101 -13.626 19.118 -0.884 728 HB3 PRO 101 HB3 PRO 101 -13.151 20.820 -0.880 729 HG2 PRO 101 HG2 PRO 101 -14.248 19.165 -3.120 730 HG3 PRO 101 HG3 PRO 101 -14.660 20.824 -2.649 731 HD2 PRO 101 HD2 PRO 101 -12.995 20.265 -4.710 732 HD3 PRO 101 HD3 PRO 101 -12.813 21.715 -3.701 733 H VAL 102 H VAL 102 -11.709 17.968 -3.844 734 HA VAL 102 HA VAL 102 -12.373 15.508 -2.796 735 HB VAL 102 HB VAL 102 -11.132 14.509 -4.723 736 HG11 VAL 102 HG11 VAL 102 -13.421 15.166 -5.021 737 HG12 VAL 102 HG12 VAL 102 -12.952 16.848 -5.279 738 HG13 VAL 102 HG13 VAL 102 -12.517 15.617 -6.466 739 HG21 VAL 102 HG21 VAL 102 -9.262 15.907 -4.995 740 HG22 VAL 102 HG22 VAL 102 -10.274 16.222 -6.405 741 HG23 VAL 102 HG23 VAL 102 -10.254 17.363 -5.061 742 H LYS 103 H LYS 103 -9.174 17.000 -3.033 743 HA LYS 103 HA LYS 103 -8.212 15.403 -0.843 744 HB2 LYS 103 HB2 LYS 103 -7.949 13.979 -2.959 745 HB3 LYS 103 HB3 LYS 103 -6.718 15.137 -3.446 746 HG2 LYS 103 HG2 LYS 103 -5.510 13.423 -2.450 747 HG3 LYS 103 HG3 LYS 103 -5.630 14.641 -1.179 748 HD2 LYS 103 HD2 LYS 103 -7.571 13.410 -0.248 749 HD3 LYS 103 HD3 LYS 103 -7.322 12.159 -1.468 750 HE2 LYS 103 HE2 LYS 103 -5.537 11.292 -0.398 751 HE3 LYS 103 HE3 LYS 103 -4.941 12.873 0.106 752 HZ1 LYS 103 HZ1 LYS 103 -6.198 11.015 1.686 753 HZ2 LYS 103 HZ2 LYS 103 -7.370 12.206 1.430 754 HZ3 LYS 103 HZ3 LYS 103 -5.870 12.624 2.091 755 H ILE 104 H ILE 104 -8.213 17.729 -0.212 756 HA ILE 104 HA ILE 104 -6.641 19.708 -1.305 757 HB ILE 104 HB ILE 104 -7.102 19.181 1.633 758 HG12 ILE 104 HG12 ILE 104 -9.177 19.406 0.319 759 HG13 ILE 104 HG13 ILE 104 -8.951 20.767 1.412 760 HG21 ILE 104 HG21 ILE 104 -6.123 21.626 0.175 761 HG22 ILE 104 HG22 ILE 104 -6.715 21.648 1.835 762 HG23 ILE 104 HG23 ILE 104 -5.283 20.704 1.422 763 HD11 ILE 104 HD11 ILE 104 -9.766 21.473 -0.773 764 HD12 ILE 104 HD12 ILE 104 -8.167 22.135 -0.433 765 HD13 ILE 104 HD13 ILE 104 -8.340 20.768 -1.534 766 H HIS 105 H HIS 105 -5.663 16.891 0.476 767 HA HIS 105 HA HIS 105 -3.144 17.628 1.372 768 HB2 HIS 105 HB2 HIS 105 -4.545 15.129 0.811 769 HB3 HIS 105 HB3 HIS 105 -2.807 15.004 0.554 770 HD1 HIS 105 HD1 HIS 105 -4.751 16.820 3.278 771 HD2 HIS 105 HD2 HIS 105 -1.859 13.873 2.818 772 HE1 HIS 105 HE1 HIS 105 -4.051 16.195 5.611 773 H CYS 106 H CYS 106 -4.263 17.081 -1.845 774 HA CYS 106 HA CYS 106 -1.888 16.414 -3.149 775 HB2 CYS 106 HB2 CYS 106 -4.373 17.860 -4.027 776 HB3 CYS 106 HB3 CYS 106 -3.018 17.651 -5.129 777 HG CYS 106 HG CYS 106 -3.082 14.851 -5.021 778 H SER 107 H SER 107 -2.855 19.351 -1.674 779 HA SER 107 HA SER 107 -0.965 20.976 -3.172 780 HB2 SER 107 HB2 SER 107 -2.046 22.805 -2.322 781 HB3 SER 107 HB3 SER 107 -3.340 21.626 -2.109 782 HG SER 107 HG SER 107 -3.189 21.950 -0.050 783 H ILE 108 H ILE 108 -1.252 19.388 -0.077 784 HA ILE 108 HA ILE 108 0.918 20.720 1.194 785 HB ILE 108 HB ILE 108 -0.272 18.012 1.808 786 HG12 ILE 108 HG12 ILE 108 -0.862 20.747 2.964 787 HG13 ILE 108 HG13 ILE 108 -1.931 19.813 1.923 788 HG21 ILE 108 HG21 ILE 108 1.501 19.816 3.448 789 HG22 ILE 108 HG22 ILE 108 0.700 18.366 4.051 790 HG23 ILE 108 HG23 ILE 108 1.924 18.237 2.787 791 HD11 ILE 108 HD11 ILE 108 -1.312 19.487 4.794 792 HD12 ILE 108 HD12 ILE 108 -2.834 19.284 3.926 793 HD13 ILE 108 HD13 ILE 108 -1.603 18.024 3.854 794 H LEU 109 H LEU 109 0.699 18.158 -1.094 795 HA LEU 109 HA LEU 109 3.229 16.952 -0.514 796 HB2 LEU 109 HB2 LEU 109 1.425 16.810 -2.921 797 HB3 LEU 109 HB3 LEU 109 2.908 15.873 -2.750 798 HG LEU 109 HG LEU 109 0.402 15.641 -1.090 799 HD11 LEU 109 HD11 LEU 109 1.729 13.933 -3.166 800 HD12 LEU 109 HD12 LEU 109 0.057 14.488 -3.087 801 HD13 LEU 109 HD13 LEU 109 0.627 13.247 -1.971 802 HD21 LEU 109 HD21 LEU 109 2.311 15.383 0.368 803 HD22 LEU 109 HD22 LEU 109 3.069 14.267 -0.768 804 HD23 LEU 109 HD23 LEU 109 1.583 13.805 0.064 805 H ALA 110 H ALA 110 2.119 19.588 -2.499 806 HA ALA 110 HA ALA 110 4.377 19.790 -4.195 807 HB1 ALA 110 HB1 ALA 110 3.168 21.386 -5.160 808 HB2 ALA 110 HB2 ALA 110 1.926 21.089 -3.943 809 HB3 ALA 110 HB3 ALA 110 3.137 22.343 -3.679 810 H GLU 111 H GLU 111 3.544 21.322 -1.107 811 HA GLU 111 HA GLU 111 5.979 22.847 -1.016 812 HB2 GLU 111 HB2 GLU 111 5.239 23.539 1.194 813 HB3 GLU 111 HB3 GLU 111 3.910 23.652 0.049 814 HG2 GLU 111 HG2 GLU 111 2.659 22.296 1.267 815 HG3 GLU 111 HG3 GLU 111 3.924 21.068 1.295 816 H ASP 112 H ASP 112 4.992 19.689 -0.085 817 HA ASP 112 HA ASP 112 7.047 19.295 1.891 818 HB2 ASP 112 HB2 ASP 112 5.040 17.502 0.551 819 HB3 ASP 112 HB3 ASP 112 6.330 16.827 1.543 820 H ALA 113 H ALA 113 6.766 18.989 -1.535 821 HA ALA 113 HA ALA 113 8.975 17.185 -1.871 822 HB1 ALA 113 HB1 ALA 113 8.692 18.323 -4.307 823 HB2 ALA 113 HB2 ALA 113 7.724 16.967 -3.728 824 HB3 ALA 113 HB3 ALA 113 7.092 18.610 -3.622 825 H ILE 114 H ILE 114 8.487 20.680 -2.264 826 HA ILE 114 HA ILE 114 11.040 21.325 -3.196 827 HB ILE 114 HB ILE 114 10.601 23.606 -2.294 828 HG12 ILE 114 HG12 ILE 114 8.097 22.282 -1.230 829 HG13 ILE 114 HG13 ILE 114 9.382 23.016 -0.276 830 HG21 ILE 114 HG21 ILE 114 8.239 22.429 -3.749 831 HG22 ILE 114 HG22 ILE 114 8.794 24.102 -3.792 832 HG23 ILE 114 HG23 ILE 114 9.780 22.828 -4.507 833 HD11 ILE 114 HD11 ILE 114 8.823 25.196 -1.332 834 HD12 ILE 114 HD12 ILE 114 7.439 24.411 -2.095 835 HD13 ILE 114 HD13 ILE 114 7.536 24.516 -0.337 836 H LYS 115 H LYS 115 9.810 20.962 0.092 837 HA LYS 115 HA LYS 115 12.099 21.922 1.434 838 HB2 LYS 115 HB2 LYS 115 10.093 19.879 2.406 839 HB3 LYS 115 HB3 LYS 115 11.182 20.829 3.410 840 HG2 LYS 115 HG2 LYS 115 9.529 22.484 1.689 841 HG3 LYS 115 HG3 LYS 115 8.581 21.462 2.772 842 HD2 LYS 115 HD2 LYS 115 10.859 23.224 3.669 843 HD3 LYS 115 HD3 LYS 115 9.160 23.703 3.712 844 HE2 LYS 115 HE2 LYS 115 10.035 21.159 5.016 845 HE3 LYS 115 HE3 LYS 115 10.284 22.699 5.837 846 HZ1 LYS 115 HZ1 LYS 115 8.225 22.116 6.598 847 HZ2 LYS 115 HZ2 LYS 115 7.773 21.338 5.166 848 HZ3 LYS 115 HZ3 LYS 115 7.783 23.028 5.243 849 H ALA 116 H ALA 116 11.112 18.652 0.475 850 HA ALA 116 HA ALA 116 13.121 17.170 1.647 851 HB1 ALA 116 HB1 ALA 116 11.358 16.009 0.598 852 HB2 ALA 116 HB2 ALA 116 11.667 16.785 -0.956 853 HB3 ALA 116 HB3 ALA 116 12.809 15.601 -0.318 854 H ALA 117 H ALA 117 13.277 19.267 -1.130 855 HA ALA 117 HA ALA 117 15.797 18.295 -2.090 856 HB1 ALA 117 HB1 ALA 117 14.125 19.423 -3.534 857 HB2 ALA 117 HB2 ALA 117 14.468 20.933 -2.688 858 HB3 ALA 117 HB3 ALA 117 15.733 20.141 -3.626 859 H ILE 118 H ILE 118 14.739 20.998 -0.071 860 HA ILE 118 HA ILE 118 17.170 22.352 0.140 861 HB ILE 118 HB ILE 118 14.985 22.099 2.211 862 HG12 ILE 118 HG12 ILE 118 15.503 24.229 0.124 863 HG13 ILE 118 HG13 ILE 118 14.236 23.010 0.042 864 HG21 ILE 118 HG21 ILE 118 16.302 23.245 3.580 865 HG22 ILE 118 HG22 ILE 118 17.565 23.320 2.352 866 HG23 ILE 118 HG23 ILE 118 16.321 24.569 2.414 867 HD11 ILE 118 HD11 ILE 118 12.932 24.539 0.986 868 HD12 ILE 118 HD12 ILE 118 13.803 24.194 2.481 869 HD13 ILE 118 HD13 ILE 118 14.305 25.540 1.459 870 H ALA 119 H ALA 119 15.921 19.584 1.928 871 HA ALA 119 HA ALA 119 18.000 19.515 3.867 872 HB1 ALA 119 HB1 ALA 119 15.609 18.091 3.348 873 HB2 ALA 119 HB2 ALA 119 16.917 16.914 3.472 874 HB3 ALA 119 HB3 ALA 119 16.621 18.046 4.792 875 H ASP 120 H ASP 120 17.415 17.658 0.887 876 HA ASP 120 HA ASP 120 19.628 15.999 0.965 877 HB2 ASP 120 HB2 ASP 120 17.643 16.695 -0.929 878 HB3 ASP 120 HB3 ASP 120 19.199 16.857 -1.740 879 H TYR 121 H TYR 121 19.409 19.376 0.097 880 HA TYR 121 HA TYR 121 21.957 19.587 -1.138 881 HB2 TYR 121 HB2 TYR 121 20.378 21.298 -1.617 882 HB3 TYR 121 HB3 TYR 121 20.096 21.619 0.091 883 HD1 TYR 121 HD2 TYR 121 23.237 21.345 -1.917 884 HD2 TYR 121 HD1 TYR 121 20.773 23.779 0.555 885 HE1 TYR 121 HE2 TYR 121 24.940 23.118 -1.974 886 HE2 TYR 121 HE1 TYR 121 22.470 25.559 0.503 887 HH TYR 121 HH TYR 121 25.359 25.285 -1.504 888 H LYS 122 H LYS 122 20.825 20.581 2.095 889 HA LYS 122 HA LYS 122 23.299 21.355 3.116 890 HB2 LYS 122 HB2 LYS 122 21.098 20.075 4.737 891 HB3 LYS 122 HB3 LYS 122 22.300 21.235 5.287 892 HG2 LYS 122 HG2 LYS 122 21.004 22.532 3.207 893 HG3 LYS 122 HG3 LYS 122 19.719 21.682 4.068 894 HD2 LYS 122 HD2 LYS 122 21.730 23.155 5.684 895 HD3 LYS 122 HD3 LYS 122 20.540 24.103 4.789 896 HE2 LYS 122 HE2 LYS 122 19.089 23.729 6.429 897 HE3 LYS 122 HE3 LYS 122 19.110 22.019 6.003 898 HZ1 LYS 122 HZ1 LYS 122 19.627 22.270 8.315 899 HZ2 LYS 122 HZ2 LYS 122 20.867 23.370 7.979 900 HZ3 LYS 122 HZ3 LYS 122 21.022 21.752 7.510 901 H SER 123 H SER 123 21.965 18.200 2.606 902 HA SER 123 HA SER 123 23.849 16.865 4.343 903 HB2 SER 123 HB2 SER 123 21.546 16.070 2.661 904 HB3 SER 123 HB3 SER 123 22.814 14.859 2.846 905 HG SER 123 HG SER 123 21.755 16.229 5.074 906 H LYS 124 H LYS 124 23.755 17.959 1.101 907 HA LYS 124 HA LYS 124 25.779 16.120 0.146 908 HB2 LYS 124 HB2 LYS 124 23.881 17.909 -1.036 909 HB3 LYS 124 HB3 LYS 124 25.486 18.312 -1.630 910 HG2 LYS 124 HG2 LYS 124 24.915 16.753 -3.171 911 HG3 LYS 124 HG3 LYS 124 25.621 15.687 -1.954 912 HD2 LYS 124 HD2 LYS 124 23.160 15.653 -1.028 913 HD3 LYS 124 HD3 LYS 124 22.761 16.115 -2.684 914 HE2 LYS 124 HE2 LYS 124 24.535 14.076 -3.074 915 HE3 LYS 124 HE3 LYS 124 23.702 13.556 -1.610 916 HZ1 LYS 124 HZ1 LYS 124 22.250 14.444 -4.033 917 HZ2 LYS 124 HZ2 LYS 124 21.638 13.595 -2.705 918 HZ3 LYS 124 HZ3 LYS 124 22.694 12.831 -3.783 919 H ARG 125 H ARG 125 25.622 19.228 1.621 920 HA ARG 125 HA ARG 125 28.420 19.781 0.920 921 HB2 ARG 125 HB2 ARG 125 28.018 22.060 1.587 922 HB3 ARG 125 HB3 ARG 125 26.734 21.563 0.494 923 HG2 ARG 125 HG2 ARG 125 25.229 22.165 1.996 924 HG3 ARG 125 HG3 ARG 125 25.882 20.977 3.126 925 HD2 ARG 125 HD2 ARG 125 27.660 22.755 3.650 926 HD3 ARG 125 HD3 ARG 125 26.572 23.883 2.842 927 HE ARG 125 HE ARG 125 25.130 22.437 4.770 928 HH11 ARG 125 HH11 ARG 125 27.605 24.875 4.538 929 HH12 ARG 125 HH12 ARG 125 27.199 25.617 6.050 930 HH21 ARG 125 HH21 ARG 125 24.586 23.405 6.763 931 HH22 ARG 125 HH22 ARG 125 25.482 24.779 7.315 932 H GLU 126 H GLU 126 26.483 18.576 3.407 933 HA GLU 126 HA GLU 126 27.625 19.510 5.739 934 HB2 GLU 126 HB2 GLU 126 26.870 17.479 6.796 935 HB3 GLU 126 HB3 GLU 126 25.674 17.977 5.608 936 HG2 GLU 126 HG2 GLU 126 25.752 15.811 5.031 937 HG3 GLU 126 HG3 GLU 126 27.149 16.331 4.092 938 H ALA 127 H ALA 127 28.851 17.127 3.474 939 HA ALA 127 HA ALA 127 31.302 16.907 5.098 940 HB1 ALA 127 HB1 ALA 127 30.910 14.887 3.014 941 HB2 ALA 127 HB2 ALA 127 31.407 14.704 4.697 942 HB3 ALA 127 HB3 ALA 127 29.697 14.859 4.294 943 H LYS 128 H LYS 128 32.882 18.123 4.309 944 HA LYS 128 HA LYS 128 33.866 17.822 1.678 945 HB2 LYS 128 HB2 LYS 128 32.002 19.180 0.994 946 HB3 LYS 128 HB3 LYS 128 32.325 20.353 2.264 947 HG2 LYS 128 HG2 LYS 128 34.445 20.932 1.171 948 HG3 LYS 128 HG3 LYS 128 34.078 19.784 -0.119 949 HD2 LYS 128 HD2 LYS 128 31.872 21.596 0.329 950 HD3 LYS 128 HD3 LYS 128 33.363 22.478 -0.009 951 HE2 LYS 128 HE2 LYS 128 33.555 20.622 -1.908 952 HE3 LYS 128 HE3 LYS 128 31.800 20.637 -1.734 953 HZ1 LYS 128 HZ1 LYS 128 32.021 22.282 -3.248 954 HZ2 LYS 128 HZ2 LYS 128 33.583 22.704 -2.758 955 HZ3 LYS 128 HZ3 LYS 128 32.246 23.228 -1.864 Start of MODEL 14 1 H1 MET 1 H MET 1 -5.309 56.020 -21.328 2 HA MET 1 HA MET 1 -2.923 55.261 -21.710 3 HB2 MET 1 HB2 MET 1 -2.654 57.524 -19.813 4 HB3 MET 1 HB3 MET 1 -1.606 56.139 -19.535 5 HG2 MET 1 HG2 MET 1 -0.357 57.577 -20.878 6 HG3 MET 1 HG3 MET 1 -0.952 56.336 -21.978 7 HE1 MET 1 HE1 MET 1 -0.623 59.704 -20.889 8 HE2 MET 1 HE2 MET 1 -0.259 60.084 -22.572 9 HE3 MET 1 HE3 MET 1 -1.711 60.740 -21.814 10 H ALA 2 H ALA 2 -3.684 53.268 -21.206 11 HA ALA 2 HA ALA 2 -4.017 52.667 -18.340 12 HB1 ALA 2 HB1 ALA 2 -6.012 51.743 -18.677 13 HB2 ALA 2 HB2 ALA 2 -5.990 52.482 -20.278 14 HB3 ALA 2 HB3 ALA 2 -5.432 50.823 -20.065 15 H TYR 3 H TYR 3 -3.688 50.310 -17.851 16 HA TYR 3 HA TYR 3 -1.575 49.181 -19.567 17 HB2 TYR 3 HB2 TYR 3 -1.596 49.766 -16.682 18 HB3 TYR 3 HB3 TYR 3 -1.007 48.159 -17.097 19 HD1 TYR 3 HD1 TYR 3 -0.623 51.443 -18.834 20 HD2 TYR 3 HD2 TYR 3 1.298 48.186 -16.882 21 HE1 TYR 3 HE1 TYR 3 1.569 52.400 -19.407 22 HE2 TYR 3 HE2 TYR 3 3.495 49.135 -17.449 23 HH TYR 3 HH TYR 3 4.562 50.992 -18.198 24 H SER 4 H SER 4 -1.186 46.769 -18.785 25 HA SER 4 HA SER 4 -3.676 45.409 -18.147 26 HB2 SER 4 HB2 SER 4 -3.446 45.794 -20.712 27 HB3 SER 4 HB3 SER 4 -2.222 44.527 -20.626 28 HG SER 4 HG SER 4 -3.738 43.091 -20.353 29 H GLU 5 H GLU 5 -3.357 43.071 -17.816 30 HA GLU 5 HA GLU 5 -0.597 42.492 -16.961 31 HB2 GLU 5 HB2 GLU 5 -1.545 41.064 -15.213 32 HB3 GLU 5 HB3 GLU 5 -2.130 42.716 -15.067 33 HG2 GLU 5 HG2 GLU 5 -4.192 41.932 -15.028 34 HG3 GLU 5 HG3 GLU 5 -3.984 41.395 -16.694 35 H LYS 6 H LYS 6 0.078 40.255 -17.061 36 HA LYS 6 HA LYS 6 -1.468 38.348 -18.540 37 HB2 LYS 6 HB2 LYS 6 0.557 40.016 -19.901 38 HB3 LYS 6 HB3 LYS 6 0.663 38.289 -20.217 39 HG2 LYS 6 HG2 LYS 6 -1.846 38.433 -20.737 40 HG3 LYS 6 HG3 LYS 6 -1.580 40.175 -20.828 41 HD2 LYS 6 HD2 LYS 6 0.312 38.464 -22.327 42 HD3 LYS 6 HD3 LYS 6 -1.341 38.543 -22.941 43 HE2 LYS 6 HE2 LYS 6 0.013 41.086 -22.204 44 HE3 LYS 6 HE3 LYS 6 0.513 40.278 -23.689 45 HZ1 LYS 6 HZ1 LYS 6 -2.064 41.505 -23.019 46 HZ2 LYS 6 HZ2 LYS 6 -2.052 40.192 -24.085 47 HZ3 LYS 6 HZ3 LYS 6 -1.173 41.588 -24.454 48 H VAL 7 H VAL 7 0.048 36.411 -19.148 49 HA VAL 7 HA VAL 7 1.693 35.890 -16.772 50 HB VAL 7 HB VAL 7 0.527 33.925 -18.749 51 HG11 VAL 7 HG11 VAL 7 1.085 32.368 -16.730 52 HG12 VAL 7 HG12 VAL 7 2.347 32.805 -17.884 53 HG13 VAL 7 HG13 VAL 7 2.249 33.631 -16.328 54 HG21 VAL 7 HG21 VAL 7 -1.374 34.054 -17.611 55 HG22 VAL 7 HG22 VAL 7 -0.523 33.631 -16.125 56 HG23 VAL 7 HG23 VAL 7 -0.686 35.323 -16.596 57 H ILE 8 H ILE 8 3.807 35.311 -16.909 58 HA ILE 8 HA ILE 8 5.240 35.998 -19.267 59 HB ILE 8 HB ILE 8 7.236 35.359 -18.074 60 HG12 ILE 8 HG12 ILE 8 6.574 34.515 -15.572 61 HG13 ILE 8 HG13 ILE 8 5.324 33.727 -16.528 62 HG21 ILE 8 HG21 ILE 8 6.010 37.464 -17.467 63 HG22 ILE 8 HG22 ILE 8 5.362 36.600 -16.074 64 HG23 ILE 8 HG23 ILE 8 7.101 36.848 -16.226 65 HD11 ILE 8 HD11 ILE 8 8.088 33.037 -16.209 66 HD12 ILE 8 HD12 ILE 8 6.781 32.124 -16.965 67 HD13 ILE 8 HD13 ILE 8 7.706 33.289 -17.912 68 H ASP 9 H ASP 9 7.059 34.393 -19.993 69 HA ASP 9 HA ASP 9 6.537 31.620 -19.989 70 HB2 ASP 9 HB2 ASP 9 4.855 33.038 -21.717 71 HB3 ASP 9 HB3 ASP 9 6.100 32.354 -22.759 72 H HIS 10 H HIS 10 8.277 30.510 -20.727 73 HA HIS 10 HA HIS 10 10.273 31.975 -22.313 74 HB2 HIS 10 HB2 HIS 10 10.997 30.157 -20.013 75 HB3 HIS 10 HB3 HIS 10 12.069 31.210 -20.931 76 HD1 HIS 10 HD1 HIS 10 10.882 31.091 -17.730 77 HD2 HIS 10 HD2 HIS 10 10.689 34.063 -20.627 78 HE1 HIS 10 HE1 HIS 10 10.513 33.236 -16.470 79 H TYR 11 H TYR 11 11.985 30.433 -23.180 80 HA TYR 11 HA TYR 11 10.667 28.382 -24.650 81 HB2 TYR 11 HB2 TYR 11 13.195 29.751 -24.733 82 HB3 TYR 11 HB3 TYR 11 13.458 28.017 -24.873 83 HD1 TYR 11 HD2 TYR 11 11.597 30.866 -26.352 84 HD2 TYR 11 HD1 TYR 11 13.014 26.890 -26.891 85 HE1 TYR 11 HE2 TYR 11 10.965 30.969 -28.727 86 HE2 TYR 11 HE1 TYR 11 12.388 26.983 -29.268 87 HH TYR 11 HH TYR 11 11.257 29.954 -30.755 88 H GLU 12 H GLU 12 11.369 26.124 -24.740 89 HA GLU 12 HA GLU 12 12.220 25.125 -22.101 90 HB2 GLU 12 HB2 GLU 12 9.752 24.737 -23.273 91 HB3 GLU 12 HB3 GLU 12 10.620 23.267 -23.693 92 HG2 GLU 12 HG2 GLU 12 10.538 22.482 -21.609 93 HG3 GLU 12 HG3 GLU 12 10.940 24.046 -20.903 94 H ASN 13 H ASN 13 14.205 24.328 -22.270 95 HA ASN 13 HA ASN 13 14.780 22.417 -24.401 96 HB2 ASN 13 HB2 ASN 13 15.586 24.761 -25.050 97 HB3 ASN 13 HB3 ASN 13 16.769 24.590 -23.757 98 HD21 ASN 13 HD21 ASN 13 15.498 22.538 -26.363 99 HD22 ASN 13 HD22 ASN 13 17.045 22.043 -26.955 100 HA PRO 14 HA PRO 14 16.239 21.150 -20.162 101 HB2 PRO 14 HB2 PRO 14 15.078 18.697 -20.229 102 HB3 PRO 14 HB3 PRO 14 14.234 20.144 -19.666 103 HG2 PRO 14 HG2 PRO 14 14.102 18.792 -22.334 104 HG3 PRO 14 HG3 PRO 14 12.785 19.460 -21.352 105 HD2 PRO 14 HD2 PRO 14 13.841 20.782 -23.466 106 HD3 PRO 14 HD3 PRO 14 13.201 21.621 -22.038 107 H ARG 15 H ARG 15 18.067 19.994 -19.812 108 HA ARG 15 HA ARG 15 19.223 18.605 -22.117 109 HB2 ARG 15 HB2 ARG 15 20.389 19.843 -19.640 110 HB3 ARG 15 HB3 ARG 15 21.317 18.696 -20.595 111 HG2 ARG 15 HG2 ARG 15 21.705 20.177 -22.232 112 HG3 ARG 15 HG3 ARG 15 20.079 20.856 -22.141 113 HD2 ARG 15 HD2 ARG 15 21.005 21.780 -19.834 114 HD3 ARG 15 HD3 ARG 15 22.548 21.612 -20.671 115 HE ARG 15 HE ARG 15 20.681 22.966 -22.308 116 HH11 ARG 15 HH11 ARG 15 22.690 23.412 -19.500 117 HH12 ARG 15 HH12 ARG 15 22.854 25.121 -19.728 118 HH21 ARG 15 HH21 ARG 15 20.890 25.216 -22.619 119 HH22 ARG 15 HH22 ARG 15 21.829 26.147 -21.502 120 H ASN 16 H ASN 16 18.059 18.078 -18.890 121 HA ASN 16 HA ASN 16 18.672 15.215 -19.182 122 HB2 ASN 16 HB2 ASN 16 19.084 16.987 -16.788 123 HB3 ASN 16 HB3 ASN 16 18.820 15.256 -16.591 124 HD21 ASN 16 HD21 ASN 16 20.773 17.478 -18.551 125 HD22 ASN 16 HD22 ASN 16 22.229 16.553 -18.454 126 H VAL 17 H VAL 17 16.274 16.513 -19.932 127 HA VAL 17 HA VAL 17 14.009 16.427 -19.670 128 HB VAL 17 HB VAL 17 14.721 13.906 -18.164 129 HG11 VAL 17 HG11 VAL 17 12.306 13.393 -19.199 130 HG12 VAL 17 HG12 VAL 17 12.536 14.064 -17.583 131 HG13 VAL 17 HG13 VAL 17 12.140 15.128 -18.933 132 HG21 VAL 17 HG21 VAL 17 14.645 12.758 -20.178 133 HG22 VAL 17 HG22 VAL 17 13.742 14.036 -20.991 134 HG23 VAL 17 HG23 VAL 17 15.453 14.261 -20.625 135 H GLY 18 H GLY 18 13.919 18.318 -18.348 136 HA2 GLY 18 HA2 GLY 18 13.356 19.516 -16.471 137 HA3 GLY 18 HA3 GLY 18 12.420 18.094 -16.036 138 H SER 19 H SER 19 15.905 18.073 -16.388 139 HA SER 19 HA SER 19 16.223 18.052 -13.473 140 HB2 SER 19 HB2 SER 19 17.688 16.020 -15.130 141 HB3 SER 19 HB3 SER 19 17.344 16.004 -13.400 142 HG SER 19 HG SER 19 15.584 15.488 -15.552 143 H PHE 20 H PHE 20 18.558 18.171 -12.839 144 HA PHE 20 HA PHE 20 19.804 20.319 -14.227 145 HB2 PHE 20 HB2 PHE 20 21.521 20.192 -12.527 146 HB3 PHE 20 HB3 PHE 20 19.948 19.983 -11.764 147 HD1 PHE 20 HD2 PHE 20 19.242 17.762 -10.974 148 HD2 PHE 20 HD1 PHE 20 23.147 18.459 -12.516 149 HE1 PHE 20 HE2 PHE 20 20.015 15.659 -9.958 150 HE2 PHE 20 HE1 PHE 20 23.926 16.356 -11.504 151 HZ PHE 20 HZ PHE 20 22.359 14.953 -10.222 152 H ASP 21 H ASP 21 22.165 20.236 -14.831 153 HA ASP 21 HA ASP 21 22.530 18.274 -16.859 154 HB2 ASP 21 HB2 ASP 21 23.890 20.701 -15.948 155 HB3 ASP 21 HB3 ASP 21 24.997 19.465 -16.539 156 H ASN 22 H ASN 22 24.767 19.057 -14.197 157 HA ASN 22 HA ASN 22 24.924 16.353 -13.294 158 HB2 ASN 22 HB2 ASN 22 27.201 15.861 -13.959 159 HB3 ASN 22 HB3 ASN 22 26.247 16.212 -15.397 160 HD21 ASN 22 HD21 ASN 22 29.102 16.789 -13.871 161 HD22 ASN 22 HD22 ASN 22 29.565 18.248 -14.672 162 H ASN 23 H ASN 23 27.002 16.158 -11.813 163 HA ASN 23 HA ASN 23 28.063 16.847 -9.923 164 HB2 ASN 23 HB2 ASN 23 28.204 19.135 -11.733 165 HB3 ASN 23 HB3 ASN 23 28.254 19.608 -10.038 166 HD21 ASN 23 HD21 ASN 23 30.258 19.415 -12.333 167 HD22 ASN 23 HD22 ASN 23 31.613 18.616 -11.618 168 H ASP 24 H ASP 24 26.453 16.329 -8.473 169 HA ASP 24 HA ASP 24 24.420 18.335 -7.860 170 HB2 ASP 24 HB2 ASP 24 23.559 16.522 -6.306 171 HB3 ASP 24 HB3 ASP 24 23.525 16.139 -8.025 172 H GLU 25 H GLU 25 27.312 18.636 -7.195 173 HA GLU 25 HA GLU 25 27.896 18.233 -4.527 174 HB2 GLU 25 HB2 GLU 25 29.410 20.206 -4.738 175 HB3 GLU 25 HB3 GLU 25 29.590 19.029 -6.031 176 HG2 GLU 25 HG2 GLU 25 27.975 20.521 -7.348 177 HG3 GLU 25 HG3 GLU 25 28.330 21.741 -6.126 178 H ASN 26 H ASN 26 25.766 20.562 -5.982 179 HA ASN 26 HA ASN 26 24.998 21.473 -3.303 180 HB2 ASN 26 HB2 ASN 26 24.680 23.796 -4.357 181 HB3 ASN 26 HB3 ASN 26 26.326 23.295 -3.982 182 HD21 ASN 26 HD21 ASN 26 27.012 24.870 -5.514 183 HD22 ASN 26 HD22 ASN 26 26.977 24.516 -7.205 184 H VAL 27 H VAL 27 23.961 19.716 -5.608 185 HA VAL 27 HA VAL 27 21.479 21.066 -6.298 186 HB VAL 27 HB VAL 27 22.634 18.391 -7.064 187 HG11 VAL 27 HG11 VAL 27 20.570 18.412 -8.655 188 HG12 VAL 27 HG12 VAL 27 20.399 17.819 -7.002 189 HG13 VAL 27 HG13 VAL 27 19.862 19.448 -7.415 190 HG21 VAL 27 HG21 VAL 27 22.867 19.306 -9.220 191 HG22 VAL 27 HG22 VAL 27 21.818 20.673 -8.844 192 HG23 VAL 27 HG23 VAL 27 23.422 20.568 -8.120 193 H GLY 28 H GLY 28 19.539 20.700 -5.386 194 HA2 GLY 28 HA2 GLY 28 19.457 18.770 -3.163 195 HA3 GLY 28 HA3 GLY 28 18.426 20.184 -3.318 196 H SER 29 H SER 29 18.292 16.981 -3.328 197 HA SER 29 HA SER 29 16.398 16.746 -5.555 198 HB2 SER 29 HB2 SER 29 17.655 14.601 -3.826 199 HB3 SER 29 HB3 SER 29 16.574 14.310 -5.189 200 HG SER 29 HG SER 29 19.232 15.165 -5.167 201 H GLY 30 H GLY 30 14.330 17.081 -5.102 202 HA2 GLY 30 HA2 GLY 30 13.372 16.471 -2.379 203 HA3 GLY 30 HA3 GLY 30 12.650 17.659 -3.455 204 H MET 31 H MET 31 12.745 14.357 -2.499 205 HA MET 31 HA MET 31 10.635 13.747 -4.465 206 HB2 MET 31 HB2 MET 31 12.660 12.466 -4.940 207 HB3 MET 31 HB3 MET 31 12.688 11.866 -3.287 208 HG2 MET 31 HG2 MET 31 10.147 11.296 -4.459 209 HG3 MET 31 HG3 MET 31 11.431 10.733 -5.527 210 HE1 MET 31 HE1 MET 31 9.921 9.734 -1.621 211 HE2 MET 31 HE2 MET 31 9.133 10.113 -3.153 212 HE3 MET 31 HE3 MET 31 9.463 8.434 -2.722 213 H VAL 32 H VAL 32 8.709 13.321 -3.621 214 HA VAL 32 HA VAL 32 8.524 12.075 -0.980 215 HB VAL 32 HB VAL 32 6.642 13.683 -0.413 216 HG11 VAL 32 HG11 VAL 32 8.089 14.784 0.900 217 HG12 VAL 32 HG12 VAL 32 9.308 13.749 0.155 218 HG13 VAL 32 HG13 VAL 32 9.030 15.376 -0.468 219 HG21 VAL 32 HG21 VAL 32 7.959 15.324 -2.575 220 HG22 VAL 32 HG22 VAL 32 6.346 14.615 -2.659 221 HG23 VAL 32 HG23 VAL 32 6.694 15.877 -1.477 222 H GLY 33 H GLY 33 6.484 11.069 -0.555 223 HA2 GLY 33 HA2 GLY 33 4.479 10.988 -2.632 224 HA3 GLY 33 HA3 GLY 33 5.421 9.511 -2.499 225 H ALA 34 H ALA 34 2.780 9.291 -2.127 226 HA ALA 34 HA ALA 34 2.594 8.752 0.752 227 HB1 ALA 34 HB1 ALA 34 1.094 10.377 0.997 228 HB2 ALA 34 HB2 ALA 34 0.983 10.635 -0.744 229 HB3 ALA 34 HB3 ALA 34 -0.003 9.394 0.028 230 HA PRO 35 HA PRO 35 1.171 4.788 -0.507 231 HB2 PRO 35 HB2 PRO 35 -0.308 4.099 1.663 232 HB3 PRO 35 HB3 PRO 35 1.459 4.142 1.679 233 HG2 PRO 35 HG2 PRO 35 -0.494 6.180 2.676 234 HG3 PRO 35 HG3 PRO 35 1.002 5.601 3.431 235 HD2 PRO 35 HD2 PRO 35 0.862 7.947 2.087 236 HD3 PRO 35 HD3 PRO 35 2.333 6.955 2.125 237 H ALA 36 H ALA 36 -1.380 6.741 1.052 238 HA ALA 36 HA ALA 36 -3.460 5.442 -0.453 239 HB1 ALA 36 HB1 ALA 36 -4.650 7.635 0.640 240 HB2 ALA 36 HB2 ALA 36 -4.465 6.078 1.447 241 HB3 ALA 36 HB3 ALA 36 -3.301 7.369 1.745 242 H CYS 37 H CYS 37 -1.454 8.223 -0.839 243 HA CYS 37 HA CYS 37 -3.175 9.587 -2.691 244 HB2 CYS 37 HB2 CYS 37 -1.332 10.604 -1.192 245 HB3 CYS 37 HB3 CYS 37 -0.214 10.051 -2.433 246 HG CYS 37 HG CYS 37 -1.862 11.509 -4.425 247 H GLY 38 H GLY 38 -0.690 7.167 -2.875 248 HA2 GLY 38 HA2 GLY 38 0.245 6.037 -4.646 249 HA3 GLY 38 HA3 GLY 38 -1.324 6.266 -5.405 250 H ALA 39 H ALA 39 1.478 8.332 -4.619 251 HA ALA 39 HA ALA 39 2.024 8.862 -7.376 252 HB1 ALA 39 HB1 ALA 39 0.030 10.273 -7.046 253 HB2 ALA 39 HB2 ALA 39 0.877 11.135 -5.761 254 HB3 ALA 39 HB3 ALA 39 1.474 11.215 -7.418 255 H VAL 40 H VAL 40 3.668 10.753 -7.530 256 HA VAL 40 HA VAL 40 5.260 11.133 -5.134 257 HB VAL 40 HB VAL 40 7.353 10.381 -6.374 258 HG11 VAL 40 HG11 VAL 40 5.437 8.154 -5.723 259 HG12 VAL 40 HG12 VAL 40 7.192 8.170 -5.541 260 HG13 VAL 40 HG13 VAL 40 6.186 9.169 -4.490 261 HG21 VAL 40 HG21 VAL 40 7.184 8.901 -8.193 262 HG22 VAL 40 HG22 VAL 40 5.445 8.699 -7.976 263 HG23 VAL 40 HG23 VAL 40 6.087 10.226 -8.581 264 H MET 41 H MET 41 6.557 12.934 -5.216 265 HA MET 41 HA MET 41 6.406 14.511 -7.701 266 HB2 MET 41 HB2 MET 41 6.265 15.338 -4.815 267 HB3 MET 41 HB3 MET 41 6.746 16.484 -6.060 268 HG2 MET 41 HG2 MET 41 4.274 14.969 -6.580 269 HG3 MET 41 HG3 MET 41 4.216 16.127 -5.253 270 HE1 MET 41 HE1 MET 41 3.160 18.882 -6.329 271 HE2 MET 41 HE2 MET 41 4.409 18.286 -5.236 272 HE3 MET 41 HE3 MET 41 4.830 19.413 -6.526 273 H LYS 42 H LYS 42 8.315 14.323 -8.694 274 HA LYS 42 HA LYS 42 10.770 14.366 -7.089 275 HB2 LYS 42 HB2 LYS 42 10.466 13.711 -10.023 276 HB3 LYS 42 HB3 LYS 42 11.895 13.462 -9.027 277 HG2 LYS 42 HG2 LYS 42 10.059 12.033 -7.645 278 HG3 LYS 42 HG3 LYS 42 9.470 11.833 -9.297 279 HD2 LYS 42 HD2 LYS 42 10.985 10.041 -8.831 280 HD3 LYS 42 HD3 LYS 42 11.779 11.145 -9.956 281 HE2 LYS 42 HE2 LYS 42 13.347 11.760 -8.450 282 HE3 LYS 42 HE3 LYS 42 12.223 11.690 -7.094 283 HZ1 LYS 42 HZ1 LYS 42 13.061 9.183 -8.367 284 HZ2 LYS 42 HZ2 LYS 42 12.614 9.477 -6.762 285 HZ3 LYS 42 HZ3 LYS 42 14.138 9.959 -7.318 286 H LEU 43 H LEU 43 11.687 16.286 -6.834 287 HA LEU 43 HA LEU 43 11.800 18.109 -9.134 288 HB2 LEU 43 HB2 LEU 43 10.815 18.660 -6.378 289 HB3 LEU 43 HB3 LEU 43 11.682 19.933 -7.236 290 HG LEU 43 HG LEU 43 9.999 19.736 -9.073 291 HD11 LEU 43 HD11 LEU 43 7.816 18.640 -7.801 292 HD12 LEU 43 HD12 LEU 43 9.124 17.528 -7.397 293 HD13 LEU 43 HD13 LEU 43 8.760 17.884 -9.085 294 HD21 LEU 43 HD21 LEU 43 9.925 21.378 -7.123 295 HD22 LEU 43 HD22 LEU 43 8.670 20.339 -6.447 296 HD23 LEU 43 HD23 LEU 43 8.425 21.115 -8.013 297 H GLN 44 H GLN 44 13.620 19.482 -9.203 298 HA GLN 44 HA GLN 44 15.715 18.996 -7.215 299 HB2 GLN 44 HB2 GLN 44 15.744 18.151 -10.024 300 HB3 GLN 44 HB3 GLN 44 17.161 19.078 -9.547 301 HG2 GLN 44 HG2 GLN 44 17.984 17.415 -8.307 302 HG3 GLN 44 HG3 GLN 44 16.406 16.999 -7.640 303 HE21 GLN 44 HE21 GLN 44 17.028 14.792 -7.887 304 HE22 GLN 44 HE22 GLN 44 16.909 14.018 -9.427 305 H ILE 45 H ILE 45 17.199 20.668 -6.971 306 HA ILE 45 HA ILE 45 16.823 23.058 -8.625 307 HB ILE 45 HB ILE 45 16.555 24.532 -6.811 308 HG12 ILE 45 HG12 ILE 45 18.226 23.457 -5.326 309 HG13 ILE 45 HG13 ILE 45 16.751 23.899 -4.472 310 HG21 ILE 45 HG21 ILE 45 14.488 23.462 -7.353 311 HG22 ILE 45 HG22 ILE 45 14.885 22.069 -6.348 312 HG23 ILE 45 HG23 ILE 45 14.565 23.633 -5.599 313 HD11 ILE 45 HD11 ILE 45 17.285 21.785 -3.665 314 HD12 ILE 45 HD12 ILE 45 16.028 21.480 -4.865 315 HD13 ILE 45 HD13 ILE 45 17.719 21.181 -5.264 316 H LYS 46 H LYS 46 18.532 24.739 -8.091 317 HA LYS 46 HA LYS 46 21.077 23.393 -7.459 318 HB2 LYS 46 HB2 LYS 46 20.988 23.904 -9.822 319 HB3 LYS 46 HB3 LYS 46 20.519 25.565 -9.485 320 HG2 LYS 46 HG2 LYS 46 22.641 26.175 -9.417 321 HG3 LYS 46 HG3 LYS 46 22.956 25.018 -8.121 322 HD2 LYS 46 HD2 LYS 46 23.013 24.428 -11.081 323 HD3 LYS 46 HD3 LYS 46 24.421 24.616 -10.032 324 HE2 LYS 46 HE2 LYS 46 24.321 22.441 -9.592 325 HE3 LYS 46 HE3 LYS 46 22.772 22.710 -8.795 326 HZ1 LYS 46 HZ1 LYS 46 23.111 21.106 -10.902 327 HZ2 LYS 46 HZ2 LYS 46 22.659 22.537 -11.683 328 HZ3 LYS 46 HZ3 LYS 46 21.643 21.854 -10.516 329 H VAL 47 H VAL 47 22.420 24.348 -6.024 330 HA VAL 47 HA VAL 47 21.595 26.968 -4.949 331 HB VAL 47 HB VAL 47 23.002 24.800 -3.390 332 HG11 VAL 47 HG11 VAL 47 22.028 27.538 -2.804 333 HG12 VAL 47 HG12 VAL 47 21.839 26.319 -1.542 334 HG13 VAL 47 HG13 VAL 47 23.440 26.680 -2.188 335 HG21 VAL 47 HG21 VAL 47 21.058 23.734 -3.236 336 HG22 VAL 47 HG22 VAL 47 20.406 25.141 -2.396 337 HG23 VAL 47 HG23 VAL 47 20.234 25.000 -4.146 338 H ASN 48 H ASN 48 23.067 28.545 -4.964 339 HA ASN 48 HA ASN 48 25.743 27.933 -5.940 340 HB2 ASN 48 HB2 ASN 48 25.841 30.560 -5.856 341 HB3 ASN 48 HB3 ASN 48 24.940 29.745 -7.131 342 HD21 ASN 48 HD21 ASN 48 24.539 31.100 -3.887 343 HD22 ASN 48 HD22 ASN 48 22.937 31.694 -4.145 344 H ASP 49 H ASP 49 27.475 29.535 -4.961 345 HA ASP 49 HA ASP 49 28.079 28.652 -2.399 346 HB2 ASP 49 HB2 ASP 49 29.290 30.304 -4.341 347 HB3 ASP 49 HB3 ASP 49 29.265 31.235 -2.846 348 H GLU 50 H GLU 50 26.341 31.525 -3.447 349 HA GLU 50 HA GLU 50 26.285 32.877 -0.983 350 HB2 GLU 50 HB2 GLU 50 25.484 33.516 -3.464 351 HB3 GLU 50 HB3 GLU 50 23.925 33.096 -2.770 352 HG2 GLU 50 HG2 GLU 50 24.677 34.682 -0.842 353 HG3 GLU 50 HG3 GLU 50 25.774 35.321 -2.065 354 H GLY 51 H GLY 51 24.739 30.019 -1.994 355 HA2 GLY 51 HA2 GLY 51 23.478 28.558 -0.702 356 HA3 GLY 51 HA3 GLY 51 23.391 29.788 0.551 357 H ILE 52 H ILE 52 22.497 30.531 -2.726 358 HA ILE 52 HA ILE 52 19.661 30.506 -1.923 359 HB ILE 52 HB ILE 52 21.188 32.587 -3.464 360 HG12 ILE 52 HG12 ILE 52 19.816 34.054 -1.863 361 HG13 ILE 52 HG13 ILE 52 19.428 32.560 -1.016 362 HG21 ILE 52 HG21 ILE 52 18.879 33.615 -3.849 363 HG22 ILE 52 HG22 ILE 52 19.353 32.266 -4.881 364 HG23 ILE 52 HG23 ILE 52 18.246 31.999 -3.534 365 HD11 ILE 52 HD11 ILE 52 21.344 32.649 0.076 366 HD12 ILE 52 HD12 ILE 52 22.247 32.702 -1.439 367 HD13 ILE 52 HD13 ILE 52 21.680 34.198 -0.696 368 H ILE 53 H ILE 53 18.201 29.697 -3.351 369 HA ILE 53 HA ILE 53 19.095 27.949 -5.374 370 HB ILE 53 HB ILE 53 16.323 29.056 -4.914 371 HG12 ILE 53 HG12 ILE 53 17.140 27.857 -2.969 372 HG13 ILE 53 HG13 ILE 53 15.937 26.871 -3.793 373 HG21 ILE 53 HG21 ILE 53 16.194 26.511 -6.075 374 HG22 ILE 53 HG22 ILE 53 15.758 28.052 -6.811 375 HG23 ILE 53 HG23 ILE 53 17.388 27.410 -7.011 376 HD11 ILE 53 HD11 ILE 53 17.931 25.743 -4.933 377 HD12 ILE 53 HD12 ILE 53 18.901 26.503 -3.671 378 HD13 ILE 53 HD13 ILE 53 17.618 25.373 -3.237 379 H GLU 54 H GLU 54 19.844 28.456 -7.315 380 HA GLU 54 HA GLU 54 18.938 30.954 -8.577 381 HB2 GLU 54 HB2 GLU 54 21.318 30.931 -8.256 382 HB3 GLU 54 HB3 GLU 54 21.451 29.326 -8.960 383 HG2 GLU 54 HG2 GLU 54 21.142 30.099 -11.115 384 HG3 GLU 54 HG3 GLU 54 20.365 31.587 -10.578 385 H ASP 55 H ASP 55 18.953 27.527 -8.859 386 HA ASP 55 HA ASP 55 17.503 27.750 -11.400 387 HB2 ASP 55 HB2 ASP 55 20.074 26.863 -11.365 388 HB3 ASP 55 HB3 ASP 55 19.201 25.351 -11.135 389 H ALA 56 H ALA 56 15.919 26.180 -11.745 390 HA ALA 56 HA ALA 56 15.501 24.118 -9.744 391 HB1 ALA 56 HB1 ALA 56 14.393 26.425 -9.095 392 HB2 ALA 56 HB2 ALA 56 13.147 25.871 -10.215 393 HB3 ALA 56 HB3 ALA 56 13.567 24.892 -8.809 394 H ARG 57 H ARG 57 14.795 22.332 -10.712 395 HA ARG 57 HA ARG 57 13.223 22.588 -13.185 396 HB2 ARG 57 HB2 ARG 57 15.748 21.080 -12.715 397 HB3 ARG 57 HB3 ARG 57 14.530 20.333 -13.740 398 HG2 ARG 57 HG2 ARG 57 15.612 23.103 -14.187 399 HG3 ARG 57 HG3 ARG 57 16.267 21.653 -14.951 400 HD2 ARG 57 HD2 ARG 57 14.684 21.709 -16.508 401 HD3 ARG 57 HD3 ARG 57 13.425 21.704 -15.274 402 HE ARG 57 HE ARG 57 14.419 24.292 -15.418 403 HH11 ARG 57 HH11 ARG 57 12.742 22.037 -17.473 404 HH12 ARG 57 HH12 ARG 57 11.928 23.268 -18.380 405 HH21 ARG 57 HH21 ARG 57 13.353 25.922 -16.605 406 HH22 ARG 57 HH22 ARG 57 12.277 25.478 -17.886 407 H PHE 58 H PHE 58 11.597 21.110 -13.470 408 HA PHE 58 HA PHE 58 11.222 19.124 -11.329 409 HB2 PHE 58 HB2 PHE 58 8.776 19.565 -11.478 410 HB3 PHE 58 HB3 PHE 58 9.696 20.952 -10.902 411 HD1 PHE 58 HD1 PHE 58 9.952 22.933 -12.273 412 HD2 PHE 58 HD2 PHE 58 7.689 19.593 -13.628 413 HE1 PHE 58 HE1 PHE 58 8.954 24.329 -14.036 414 HE2 PHE 58 HE2 PHE 58 6.688 20.983 -15.394 415 HZ PHE 58 HZ PHE 58 7.321 23.354 -15.601 416 H LYS 59 H LYS 59 9.835 17.307 -11.916 417 HA LYS 59 HA LYS 59 9.816 16.775 -14.813 418 HB2 LYS 59 HB2 LYS 59 10.331 14.671 -12.715 419 HB3 LYS 59 HB3 LYS 59 10.524 14.528 -14.457 420 HG2 LYS 59 HG2 LYS 59 12.677 14.947 -14.114 421 HG3 LYS 59 HG3 LYS 59 12.198 16.617 -13.803 422 HD2 LYS 59 HD2 LYS 59 12.433 16.408 -11.546 423 HD3 LYS 59 HD3 LYS 59 11.992 14.698 -11.550 424 HE2 LYS 59 HE2 LYS 59 14.267 14.440 -12.829 425 HE3 LYS 59 HE3 LYS 59 14.634 15.986 -12.065 426 HZ1 LYS 59 HZ1 LYS 59 14.000 14.897 -9.914 427 HZ2 LYS 59 HZ2 LYS 59 15.418 14.312 -10.626 428 HZ3 LYS 59 HZ3 LYS 59 13.986 13.418 -10.736 429 H THR 60 H THR 60 8.135 15.458 -15.594 430 HA THR 60 HA THR 60 5.674 15.719 -14.147 431 HB THR 60 HB THR 60 5.739 13.964 -16.530 432 HG1 THR 60 HG1 THR 60 6.450 15.462 -17.891 433 HG21 THR 60 HG21 THR 60 3.802 15.281 -15.131 434 HG22 THR 60 HG22 THR 60 3.630 14.709 -16.790 435 HG23 THR 60 HG23 THR 60 4.081 16.385 -16.476 436 H TYR 61 H TYR 61 4.676 14.266 -12.900 437 HA TYR 61 HA TYR 61 5.037 11.441 -13.214 438 HB2 TYR 61 HB2 TYR 61 6.708 12.886 -11.326 439 HB3 TYR 61 HB3 TYR 61 5.723 11.669 -10.522 440 HD1 TYR 61 HD2 TYR 61 5.613 9.432 -12.255 441 HD2 TYR 61 HD1 TYR 61 8.855 12.121 -11.653 442 HE1 TYR 61 HE2 TYR 61 7.189 7.682 -12.965 443 HE2 TYR 61 HE1 TYR 61 10.440 10.379 -12.363 444 HH TYR 61 HH TYR 61 9.341 7.103 -13.141 445 H GLY 62 H GLY 62 2.924 10.974 -13.147 446 HA2 GLY 62 HA2 GLY 62 1.405 10.554 -11.006 447 HA3 GLY 62 HA3 GLY 62 1.191 12.287 -11.206 448 H CYS 63 H CYS 63 -1.097 11.340 -11.362 449 HA CYS 63 HA CYS 63 -1.697 10.404 -14.072 450 HB2 CYS 63 HB2 CYS 63 -2.642 9.173 -12.114 451 HB3 CYS 63 HB3 CYS 63 -3.550 10.619 -11.692 452 HG CYS 63 HG CYS 63 -4.129 8.356 -14.110 453 H GLY 64 H GLY 64 -1.344 12.416 -15.122 454 HA2 GLY 64 HA2 GLY 64 -3.612 13.946 -15.591 455 HA3 GLY 64 HA3 GLY 64 -2.684 14.804 -14.370 456 H SER 65 H SER 65 -1.940 16.521 -15.487 457 HA SER 65 HA SER 65 0.108 16.034 -17.467 458 HB2 SER 65 HB2 SER 65 -2.295 16.259 -18.570 459 HB3 SER 65 HB3 SER 65 -1.982 17.980 -18.343 460 HG SER 65 HG SER 65 -1.082 17.606 -20.262 461 H ALA 66 H ALA 66 1.466 16.985 -15.929 462 HA ALA 66 HA ALA 66 2.610 18.675 -14.920 463 HB1 ALA 66 HB1 ALA 66 2.564 19.506 -17.292 464 HB2 ALA 66 HB2 ALA 66 1.197 20.522 -16.832 465 HB3 ALA 66 HB3 ALA 66 2.766 20.752 -16.060 466 H ILE 67 H ILE 67 1.676 18.604 -12.897 467 HA ILE 67 HA ILE 67 -0.824 19.840 -12.294 468 HB ILE 67 HB ILE 67 1.377 19.019 -10.396 469 HG12 ILE 67 HG12 ILE 67 -1.103 17.475 -11.167 470 HG13 ILE 67 HG13 ILE 67 0.474 17.203 -11.900 471 HG21 ILE 67 HG21 ILE 67 -0.918 18.750 -9.010 472 HG22 ILE 67 HG22 ILE 67 0.082 20.201 -8.979 473 HG23 ILE 67 HG23 ILE 67 -1.329 20.125 -10.035 474 HD11 ILE 67 HD11 ILE 67 -0.585 16.127 -9.501 475 HD12 ILE 67 HD12 ILE 67 0.974 15.811 -10.263 476 HD13 ILE 67 HD13 ILE 67 0.813 17.123 -9.096 477 H ALA 68 H ALA 68 -1.250 21.900 -11.856 478 HA ALA 68 HA ALA 68 0.582 23.965 -12.164 479 HB1 ALA 68 HB1 ALA 68 -1.720 24.475 -10.377 480 HB2 ALA 68 HB2 ALA 68 -1.160 25.366 -11.793 481 HB3 ALA 68 HB3 ALA 68 -2.082 23.877 -11.997 482 H SER 69 H SER 69 -0.326 22.164 -9.299 483 HA SER 69 HA SER 69 0.697 23.851 -7.326 484 HB2 SER 69 HB2 SER 69 0.824 20.837 -7.203 485 HB3 SER 69 HB3 SER 69 0.641 21.971 -5.865 486 HG SER 69 HG SER 69 -1.433 22.210 -6.324 487 H SER 70 H SER 70 2.294 21.150 -9.011 488 HA SER 70 HA SER 70 4.796 21.438 -7.770 489 HB2 SER 70 HB2 SER 70 3.861 19.514 -9.262 490 HB3 SER 70 HB3 SER 70 4.531 20.453 -10.596 491 HG SER 70 HG SER 70 6.381 19.629 -10.083 492 H SER 71 H SER 71 3.637 22.643 -10.912 493 HA SER 71 HA SER 71 5.997 23.994 -11.620 494 HB2 SER 71 HB2 SER 71 4.608 23.752 -13.440 495 HB3 SER 71 HB3 SER 71 3.150 24.091 -12.507 496 HG SER 71 HG SER 71 4.409 25.747 -14.063 497 H LEU 72 H LEU 72 3.478 24.784 -9.411 498 HA LEU 72 HA LEU 72 4.003 27.616 -9.372 499 HB2 LEU 72 HB2 LEU 72 1.789 26.913 -8.856 500 HB3 LEU 72 HB3 LEU 72 2.367 25.798 -7.620 501 HG LEU 72 HG LEU 72 3.189 27.904 -6.394 502 HD11 LEU 72 HD11 LEU 72 2.364 29.972 -6.968 503 HD12 LEU 72 HD12 LEU 72 1.031 29.301 -7.908 504 HD13 LEU 72 HD13 LEU 72 2.671 29.269 -8.556 505 HD21 LEU 72 HD21 LEU 72 1.244 26.443 -5.782 506 HD22 LEU 72 HD22 LEU 72 0.210 27.559 -6.674 507 HD23 LEU 72 HD23 LEU 72 1.106 28.123 -5.264 508 H VAL 73 H VAL 73 4.603 24.894 -7.160 509 HA VAL 73 HA VAL 73 6.001 26.381 -5.217 510 HB VAL 73 HB VAL 73 6.895 24.190 -4.460 511 HG11 VAL 73 HG11 VAL 73 4.470 25.157 -4.091 512 HG12 VAL 73 HG12 VAL 73 4.009 23.721 -5.008 513 HG13 VAL 73 HG13 VAL 73 4.917 23.555 -3.504 514 HG21 VAL 73 HG21 VAL 73 5.375 23.089 -6.822 515 HG22 VAL 73 HG22 VAL 73 7.131 23.158 -6.679 516 HG23 VAL 73 HG23 VAL 73 6.196 22.147 -5.578 517 H THR 74 H THR 74 6.997 24.874 -8.208 518 HA THR 74 HA THR 74 9.793 24.928 -7.735 519 HB THR 74 HB THR 74 9.822 24.945 -10.359 520 HG1 THR 74 HG1 THR 74 7.912 24.964 -11.257 521 HG21 THR 74 HG21 THR 74 9.729 22.966 -8.426 522 HG22 THR 74 HG22 THR 74 10.137 22.742 -10.128 523 HG23 THR 74 HG23 THR 74 8.482 22.486 -9.577 524 H GLU 75 H GLU 75 7.696 27.073 -9.669 525 HA GLU 75 HA GLU 75 9.660 28.932 -10.363 526 HB2 GLU 75 HB2 GLU 75 7.812 30.467 -10.833 527 HB3 GLU 75 HB3 GLU 75 7.468 28.855 -11.443 528 HG2 GLU 75 HG2 GLU 75 5.941 28.417 -9.689 529 HG3 GLU 75 HG3 GLU 75 6.448 29.852 -8.800 530 H TRP 76 H TRP 76 8.083 28.375 -7.369 531 HA TRP 76 HA TRP 76 8.536 31.008 -6.291 532 HB2 TRP 76 HB2 TRP 76 7.162 28.591 -5.474 533 HB3 TRP 76 HB3 TRP 76 8.137 29.239 -4.158 534 HD1 TRP 76 HD1 TRP 76 4.763 29.330 -4.940 535 HE1 TRP 76 HE1 TRP 76 3.612 31.566 -4.393 536 HE3 TRP 76 HE3 TRP 76 8.904 32.305 -4.570 537 HZ2 TRP 76 HZ2 TRP 76 4.360 34.238 -3.875 538 HZ3 TRP 76 HZ3 TRP 76 8.599 34.690 -4.047 539 HH2 TRP 76 HH2 TRP 76 6.374 35.635 -3.707 540 H VAL 77 H VAL 77 10.111 27.859 -6.147 541 HA VAL 77 HA VAL 77 12.043 28.632 -4.184 542 HB VAL 77 HB VAL 77 12.262 26.345 -6.141 543 HG11 VAL 77 HG11 VAL 77 13.281 25.950 -3.456 544 HG12 VAL 77 HG12 VAL 77 14.079 25.718 -5.012 545 HG13 VAL 77 HG13 VAL 77 14.053 27.315 -4.263 546 HG21 VAL 77 HG21 VAL 77 10.503 25.404 -5.165 547 HG22 VAL 77 HG22 VAL 77 11.385 25.410 -3.638 548 HG23 VAL 77 HG23 VAL 77 10.340 26.767 -4.057 549 H LYS 78 H LYS 78 11.833 28.790 -7.654 550 HA LYS 78 HA LYS 78 14.566 29.072 -8.261 551 HB2 LYS 78 HB2 LYS 78 12.014 29.471 -9.628 552 HB3 LYS 78 HB3 LYS 78 13.254 30.602 -10.153 553 HG2 LYS 78 HG2 LYS 78 14.548 28.151 -10.093 554 HG3 LYS 78 HG3 LYS 78 12.946 27.790 -10.741 555 HD2 LYS 78 HD2 LYS 78 14.632 30.058 -11.773 556 HD3 LYS 78 HD3 LYS 78 14.748 28.420 -12.422 557 HE2 LYS 78 HE2 LYS 78 12.548 28.464 -13.227 558 HE3 LYS 78 HE3 LYS 78 12.115 29.846 -12.222 559 HZ1 LYS 78 HZ1 LYS 78 12.448 30.987 -14.104 560 HZ2 LYS 78 HZ2 LYS 78 13.396 29.779 -14.813 561 HZ3 LYS 78 HZ3 LYS 78 14.090 30.863 -13.716 562 H GLY 79 H GLY 79 15.779 30.512 -7.171 563 HA2 GLY 79 HA2 GLY 79 16.677 32.675 -6.982 564 HA3 GLY 79 HA3 GLY 79 15.142 33.336 -7.528 565 H LYS 80 H LYS 80 15.890 31.113 -4.858 566 HA LYS 80 HA LYS 80 15.273 33.159 -2.898 567 HB2 LYS 80 HB2 LYS 80 13.269 31.344 -3.800 568 HB3 LYS 80 HB3 LYS 80 13.697 30.903 -2.152 569 HG2 LYS 80 HG2 LYS 80 12.932 32.876 -1.276 570 HG3 LYS 80 HG3 LYS 80 13.176 33.765 -2.782 571 HD2 LYS 80 HD2 LYS 80 11.142 33.206 -3.589 572 HD3 LYS 80 HD3 LYS 80 11.206 31.578 -2.909 573 HE2 LYS 80 HE2 LYS 80 10.978 32.938 -0.639 574 HE3 LYS 80 HE3 LYS 80 10.214 34.109 -1.712 575 HZ1 LYS 80 HZ1 LYS 80 8.377 32.910 -1.481 576 HZ2 LYS 80 HZ2 LYS 80 9.194 31.641 -0.718 577 HZ3 LYS 80 HZ3 LYS 80 9.114 31.699 -2.407 578 H SER 81 H SER 81 16.030 32.682 -0.837 579 HA SER 81 HA SER 81 18.253 31.000 -0.654 580 HB2 SER 81 HB2 SER 81 18.321 31.563 1.672 581 HB3 SER 81 HB3 SER 81 17.722 32.986 0.821 582 HG SER 81 HG SER 81 16.536 32.339 2.765 583 H LEU 82 H LEU 82 18.302 29.426 1.421 584 HA LEU 82 HA LEU 82 16.691 27.184 0.639 585 HB2 LEU 82 HB2 LEU 82 18.421 27.343 3.088 586 HB3 LEU 82 HB3 LEU 82 17.970 25.915 2.158 587 HG LEU 82 HG LEU 82 19.716 28.081 1.017 588 HD11 LEU 82 HD11 LEU 82 20.684 25.566 2.357 589 HD12 LEU 82 HD12 LEU 82 20.676 27.148 3.134 590 HD13 LEU 82 HD13 LEU 82 21.653 26.880 1.691 591 HD21 LEU 82 HD21 LEU 82 20.452 25.742 -0.117 592 HD22 LEU 82 HD22 LEU 82 19.231 26.824 -0.787 593 HD23 LEU 82 HD23 LEU 82 18.742 25.433 0.180 594 H ASP 83 H ASP 83 16.893 29.274 3.496 595 HA ASP 83 HA ASP 83 14.869 27.942 4.965 596 HB2 ASP 83 HB2 ASP 83 16.268 30.572 5.176 597 HB3 ASP 83 HB3 ASP 83 14.795 30.327 6.110 598 H GLU 84 H GLU 84 14.839 30.527 2.600 599 HA GLU 84 HA GLU 84 12.249 31.500 3.035 600 HB2 GLU 84 HB2 GLU 84 14.272 31.678 0.934 601 HB3 GLU 84 HB3 GLU 84 12.630 31.743 0.310 602 HG2 GLU 84 HG2 GLU 84 13.797 33.938 0.925 603 HG3 GLU 84 HG3 GLU 84 12.132 33.694 1.452 604 H ALA 85 H ALA 85 13.316 29.217 0.507 605 HA ALA 85 HA ALA 85 10.745 28.501 -0.346 606 HB1 ALA 85 HB1 ALA 85 12.388 27.928 -1.853 607 HB2 ALA 85 HB2 ALA 85 13.446 27.258 -0.610 608 HB3 ALA 85 HB3 ALA 85 12.018 26.363 -1.128 609 H GLN 86 H GLN 86 12.785 27.227 2.216 610 HA GLN 86 HA GLN 86 11.165 24.934 2.740 611 HB2 GLN 86 HB2 GLN 86 13.641 25.324 3.351 612 HB3 GLN 86 HB3 GLN 86 13.017 26.213 4.735 613 HG2 GLN 86 HG2 GLN 86 11.601 23.984 5.027 614 HG3 GLN 86 HG3 GLN 86 12.984 23.311 4.167 615 HE21 GLN 86 HE21 GLN 86 12.166 25.389 6.911 616 HE22 GLN 86 HE22 GLN 86 13.473 24.874 7.916 617 H ALA 87 H ALA 87 10.983 28.255 3.579 618 HA ALA 87 HA ALA 87 9.390 27.903 5.948 619 HB1 ALA 87 HB1 ALA 87 9.905 30.357 4.272 620 HB2 ALA 87 HB2 ALA 87 9.094 30.341 5.839 621 HB3 ALA 87 HB3 ALA 87 10.789 29.870 5.719 622 H ILE 88 H ILE 88 8.799 27.821 2.604 623 HA ILE 88 HA ILE 88 6.292 28.918 2.287 624 HB ILE 88 HB ILE 88 7.308 26.359 1.044 625 HG12 ILE 88 HG12 ILE 88 7.355 29.165 -0.078 626 HG13 ILE 88 HG13 ILE 88 8.726 28.425 0.742 627 HG21 ILE 88 HG21 ILE 88 5.703 26.950 -0.781 628 HG22 ILE 88 HG22 ILE 88 4.945 26.478 0.739 629 HG23 ILE 88 HG23 ILE 88 5.032 28.181 0.288 630 HD11 ILE 88 HD11 ILE 88 8.308 28.362 -1.926 631 HD12 ILE 88 HD12 ILE 88 9.271 27.183 -1.036 632 HD13 ILE 88 HD13 ILE 88 7.591 26.828 -1.435 633 H LYS 89 H LYS 89 4.201 28.259 2.614 634 HA LYS 89 HA LYS 89 3.848 25.871 4.304 635 HB2 LYS 89 HB2 LYS 89 2.058 28.300 4.284 636 HB3 LYS 89 HB3 LYS 89 2.054 26.974 5.439 637 HG2 LYS 89 HG2 LYS 89 4.260 28.993 5.088 638 HG3 LYS 89 HG3 LYS 89 3.059 28.981 6.382 639 HD2 LYS 89 HD2 LYS 89 3.900 26.688 6.993 640 HD3 LYS 89 HD3 LYS 89 5.220 26.948 5.850 641 HE2 LYS 89 HE2 LYS 89 6.346 27.998 7.450 642 HE3 LYS 89 HE3 LYS 89 5.100 29.245 7.470 643 HZ1 LYS 89 HZ1 LYS 89 4.402 26.854 8.922 644 HZ2 LYS 89 HZ2 LYS 89 4.259 28.477 9.377 645 HZ3 LYS 89 HZ3 LYS 89 5.737 27.675 9.560 646 H ASN 90 H ASN 90 2.341 24.390 3.738 647 HA ASN 90 HA ASN 90 1.491 24.079 1.152 648 HB2 ASN 90 HB2 ASN 90 -0.138 22.447 2.008 649 HB3 ASN 90 HB3 ASN 90 1.419 22.277 2.812 650 HD21 ASN 90 HD21 ASN 90 -1.885 23.305 3.145 651 HD22 ASN 90 HD22 ASN 90 -1.898 23.378 4.872 652 H THR 91 H THR 91 -0.170 25.730 3.790 653 HA THR 91 HA THR 91 -2.664 26.127 2.683 654 HB THR 91 HB THR 91 -2.284 26.822 4.936 655 HG1 THR 91 HG1 THR 91 -3.846 28.074 3.866 656 HG21 THR 91 HG21 THR 91 0.091 27.432 4.700 657 HG22 THR 91 HG22 THR 91 -0.829 28.681 5.539 658 HG23 THR 91 HG23 THR 91 -0.382 28.901 3.848 659 H ASP 92 H ASP 92 0.322 27.912 2.088 660 HA ASP 92 HA ASP 92 -0.831 29.968 0.522 661 HB2 ASP 92 HB2 ASP 92 1.800 29.176 1.365 662 HB3 ASP 92 HB3 ASP 92 1.822 29.548 -0.357 663 H ILE 93 H ILE 93 0.499 26.799 -0.260 664 HA ILE 93 HA ILE 93 0.286 27.169 -3.098 665 HB ILE 93 HB ILE 93 0.681 24.648 -1.482 666 HG12 ILE 93 HG12 ILE 93 3.035 24.989 -2.626 667 HG13 ILE 93 HG13 ILE 93 2.524 26.673 -2.689 668 HG21 ILE 93 HG21 ILE 93 1.692 24.094 -3.925 669 HG22 ILE 93 HG22 ILE 93 0.059 23.671 -3.412 670 HG23 ILE 93 HG23 ILE 93 0.335 25.131 -4.362 671 HD11 ILE 93 HD11 ILE 93 2.072 25.535 -0.078 672 HD12 ILE 93 HD12 ILE 93 3.758 25.383 -0.575 673 HD13 ILE 93 HD13 ILE 93 2.986 26.969 -0.545 674 H ALA 94 H ALA 94 -1.811 26.104 -0.570 675 HA ALA 94 HA ALA 94 -3.617 24.604 -2.189 676 HB1 ALA 94 HB1 ALA 94 -5.137 24.784 -0.240 677 HB2 ALA 94 HB2 ALA 94 -3.528 24.194 0.180 678 HB3 ALA 94 HB3 ALA 94 -3.973 25.866 0.525 679 H GLU 95 H GLU 95 -3.798 27.868 -0.761 680 HA GLU 95 HA GLU 95 -6.197 28.528 -2.170 681 HB2 GLU 95 HB2 GLU 95 -4.261 30.435 -0.853 682 HB3 GLU 95 HB3 GLU 95 -5.958 30.721 -1.214 683 HG2 GLU 95 HG2 GLU 95 -5.006 28.601 0.691 684 HG3 GLU 95 HG3 GLU 95 -5.429 30.240 1.184 685 H GLU 96 H GLU 96 -2.817 28.728 -2.853 686 HA GLU 96 HA GLU 96 -2.648 30.799 -4.662 687 HB2 GLU 96 HB2 GLU 96 -1.145 28.365 -4.102 688 HB3 GLU 96 HB3 GLU 96 -1.067 28.823 -5.797 689 HG2 GLU 96 HG2 GLU 96 -0.601 30.926 -3.755 690 HG3 GLU 96 HG3 GLU 96 0.662 29.728 -4.030 691 H LEU 97 H LEU 97 -3.624 27.442 -5.289 692 HA LEU 97 HA LEU 97 -4.730 28.339 -7.869 693 HB2 LEU 97 HB2 LEU 97 -3.751 25.579 -7.159 694 HB3 LEU 97 HB3 LEU 97 -4.367 26.101 -8.725 695 HG LEU 97 HG LEU 97 -2.079 27.665 -7.806 696 HD11 LEU 97 HD11 LEU 97 -1.054 25.847 -6.887 697 HD12 LEU 97 HD12 LEU 97 -0.592 25.626 -8.575 698 HD13 LEU 97 HD13 LEU 97 -1.931 24.699 -7.900 699 HD21 LEU 97 HD21 LEU 97 -2.547 28.014 -10.012 700 HD22 LEU 97 HD22 LEU 97 -3.078 26.353 -10.279 701 HD23 LEU 97 HD23 LEU 97 -1.356 26.721 -10.166 702 H GLU 98 H GLU 98 -5.620 27.605 -4.853 703 HA GLU 98 HA GLU 98 -7.499 26.814 -3.834 704 HB2 GLU 98 HB2 GLU 98 -8.878 27.388 -6.453 705 HB3 GLU 98 HB3 GLU 98 -9.569 27.434 -4.837 706 HG2 GLU 98 HG2 GLU 98 -7.997 29.332 -4.339 707 HG3 GLU 98 HG3 GLU 98 -7.615 29.359 -6.060 708 H LEU 99 H LEU 99 -6.392 24.658 -4.041 709 HA LEU 99 HA LEU 99 -7.120 22.796 -6.018 710 HB2 LEU 99 HB2 LEU 99 -5.965 22.634 -3.280 711 HB3 LEU 99 HB3 LEU 99 -6.562 21.155 -4.029 712 HG LEU 99 HG LEU 99 -4.109 21.534 -4.274 713 HD11 LEU 99 HD11 LEU 99 -5.493 20.140 -5.828 714 HD12 LEU 99 HD12 LEU 99 -4.011 20.788 -6.531 715 HD13 LEU 99 HD13 LEU 99 -5.565 21.532 -6.909 716 HD21 LEU 99 HD21 LEU 99 -3.293 23.205 -5.786 717 HD22 LEU 99 HD22 LEU 99 -4.271 24.001 -4.553 718 HD23 LEU 99 HD23 LEU 99 -4.933 23.731 -6.166 719 HA PRO 100 HA PRO 100 -11.248 21.716 -4.948 720 HB2 PRO 100 HB2 PRO 100 -11.333 19.207 -5.979 721 HB3 PRO 100 HB3 PRO 100 -11.344 20.660 -6.986 722 HG2 PRO 100 HG2 PRO 100 -9.062 18.847 -6.301 723 HG3 PRO 100 HG3 PRO 100 -9.485 19.574 -7.862 724 HD2 PRO 100 HD2 PRO 100 -7.539 20.576 -6.268 725 HD3 PRO 100 HD3 PRO 100 -8.538 21.603 -7.317 726 HA PRO 101 HA PRO 101 -11.194 19.451 -1.171 727 HB2 PRO 101 HB2 PRO 101 -13.765 18.584 -1.085 728 HB3 PRO 101 HB3 PRO 101 -13.310 20.268 -0.805 729 HG2 PRO 101 HG2 PRO 101 -14.379 18.983 -3.288 730 HG3 PRO 101 HG3 PRO 101 -14.812 20.541 -2.560 731 HD2 PRO 101 HD2 PRO 101 -13.131 20.338 -4.673 732 HD3 PRO 101 HD3 PRO 101 -12.970 21.609 -3.444 733 H VAL 102 H VAL 102 -11.665 17.962 -4.179 734 HA VAL 102 HA VAL 102 -12.304 15.328 -3.454 735 HB VAL 102 HB VAL 102 -11.260 14.674 -5.615 736 HG11 VAL 102 HG11 VAL 102 -13.476 15.188 -5.915 737 HG12 VAL 102 HG12 VAL 102 -13.273 16.861 -5.391 738 HG13 VAL 102 HG13 VAL 102 -12.724 16.364 -6.992 739 HG21 VAL 102 HG21 VAL 102 -10.599 16.704 -7.069 740 HG22 VAL 102 HG22 VAL 102 -10.352 17.528 -5.530 741 HG23 VAL 102 HG23 VAL 102 -9.428 16.075 -5.910 742 H LYS 103 H LYS 103 -9.186 16.971 -3.770 743 HA LYS 103 HA LYS 103 -7.968 15.124 -1.934 744 HB2 LYS 103 HB2 LYS 103 -7.905 14.131 -4.367 745 HB3 LYS 103 HB3 LYS 103 -6.595 15.283 -4.589 746 HG2 LYS 103 HG2 LYS 103 -5.245 13.723 -3.776 747 HG3 LYS 103 HG3 LYS 103 -5.978 14.035 -2.200 748 HD2 LYS 103 HD2 LYS 103 -6.481 11.843 -2.258 749 HD3 LYS 103 HD3 LYS 103 -7.805 12.357 -3.307 750 HE2 LYS 103 HE2 LYS 103 -5.248 11.932 -4.681 751 HE3 LYS 103 HE3 LYS 103 -5.935 10.482 -3.951 752 HZ1 LYS 103 HZ1 LYS 103 -6.863 10.523 -6.054 753 HZ2 LYS 103 HZ2 LYS 103 -7.071 12.201 -6.060 754 HZ3 LYS 103 HZ3 LYS 103 -8.080 11.228 -5.113 755 H ILE 104 H ILE 104 -8.206 17.590 -1.287 756 HA ILE 104 HA ILE 104 -6.515 19.551 -2.253 757 HB ILE 104 HB ILE 104 -7.311 19.078 0.622 758 HG12 ILE 104 HG12 ILE 104 -8.555 20.764 -1.561 759 HG13 ILE 104 HG13 ILE 104 -9.239 19.304 -0.855 760 HG21 ILE 104 HG21 ILE 104 -6.852 21.469 0.933 761 HG22 ILE 104 HG22 ILE 104 -5.404 20.574 0.474 762 HG23 ILE 104 HG23 ILE 104 -6.247 21.559 -0.721 763 HD11 ILE 104 HD11 ILE 104 -9.066 20.657 1.369 764 HD12 ILE 104 HD12 ILE 104 -9.035 22.044 0.280 765 HD13 ILE 104 HD13 ILE 104 -10.402 20.930 0.251 766 H HIS 105 H HIS 105 -5.753 16.723 -0.415 767 HA HIS 105 HA HIS 105 -3.364 17.435 0.802 768 HB2 HIS 105 HB2 HIS 105 -4.791 15.129 0.592 769 HB3 HIS 105 HB3 HIS 105 -3.400 14.749 -0.420 770 HD1 HIS 105 HD1 HIS 105 -3.357 16.754 2.795 771 HD2 HIS 105 HD2 HIS 105 -1.996 13.135 1.274 772 HE1 HIS 105 HE1 HIS 105 -1.884 15.783 4.587 773 H CYS 106 H CYS 106 -4.082 16.987 -2.539 774 HA CYS 106 HA CYS 106 -1.565 16.346 -3.562 775 HB2 CYS 106 HB2 CYS 106 -3.901 17.858 -4.712 776 HB3 CYS 106 HB3 CYS 106 -2.430 17.592 -5.641 777 HG CYS 106 HG CYS 106 -2.639 14.745 -5.350 778 H SER 107 H SER 107 -2.729 19.259 -2.167 779 HA SER 107 HA SER 107 -0.631 20.892 -3.353 780 HB2 SER 107 HB2 SER 107 -3.182 21.391 -2.085 781 HB3 SER 107 HB3 SER 107 -1.918 22.370 -1.342 782 HG SER 107 HG SER 107 -2.006 22.220 -4.131 783 H ILE 108 H ILE 108 -1.341 19.194 -0.414 784 HA ILE 108 HA ILE 108 0.507 20.539 1.271 785 HB ILE 108 HB ILE 108 -0.405 17.682 1.578 786 HG12 ILE 108 HG12 ILE 108 -2.373 19.076 1.224 787 HG13 ILE 108 HG13 ILE 108 -2.279 18.590 2.913 788 HG21 ILE 108 HG21 ILE 108 0.560 19.774 3.519 789 HG22 ILE 108 HG22 ILE 108 -0.160 18.239 4.000 790 HG23 ILE 108 HG23 ILE 108 1.352 18.257 3.093 791 HD11 ILE 108 HD11 ILE 108 -1.142 20.851 3.294 792 HD12 ILE 108 HD12 ILE 108 -1.770 21.274 1.701 793 HD13 ILE 108 HD13 ILE 108 -2.880 20.828 2.997 794 H LEU 109 H LEU 109 0.812 18.039 -1.109 795 HA LEU 109 HA LEU 109 3.403 17.152 -0.195 796 HB2 LEU 109 HB2 LEU 109 1.732 16.549 -2.617 797 HB3 LEU 109 HB3 LEU 109 3.372 15.931 -2.431 798 HG LEU 109 HG LEU 109 1.849 15.307 -0.087 799 HD11 LEU 109 HD11 LEU 109 -0.018 14.239 -0.833 800 HD12 LEU 109 HD12 LEU 109 0.657 13.935 -2.434 801 HD13 LEU 109 HD13 LEU 109 0.060 15.542 -2.020 802 HD21 LEU 109 HD21 LEU 109 3.190 13.735 -2.272 803 HD22 LEU 109 HD22 LEU 109 2.405 12.970 -0.890 804 HD23 LEU 109 HD23 LEU 109 3.773 14.056 -0.638 805 H ALA 110 H ALA 110 2.156 19.598 -2.255 806 HA ALA 110 HA ALA 110 4.294 19.940 -4.039 807 HB1 ALA 110 HB1 ALA 110 3.225 21.823 -4.732 808 HB2 ALA 110 HB2 ALA 110 1.895 21.066 -3.854 809 HB3 ALA 110 HB3 ALA 110 2.841 22.344 -3.092 810 H GLU 111 H GLU 111 3.725 21.239 -0.798 811 HA GLU 111 HA GLU 111 6.178 22.770 -0.841 812 HB2 GLU 111 HB2 GLU 111 5.577 23.263 1.544 813 HB3 GLU 111 HB3 GLU 111 4.357 23.734 0.370 814 HG2 GLU 111 HG2 GLU 111 2.844 22.545 1.449 815 HG3 GLU 111 HG3 GLU 111 3.792 21.082 1.190 816 H ASP 112 H ASP 112 5.138 19.631 0.137 817 HA ASP 112 HA ASP 112 7.261 19.129 1.990 818 HB2 ASP 112 HB2 ASP 112 5.209 17.409 0.624 819 HB3 ASP 112 HB3 ASP 112 6.517 16.682 1.554 820 H ALA 113 H ALA 113 6.797 18.741 -1.450 821 HA ALA 113 HA ALA 113 9.029 17.022 -1.889 822 HB1 ALA 113 HB1 ALA 113 8.010 18.824 -4.031 823 HB2 ALA 113 HB2 ALA 113 8.504 17.133 -4.118 824 HB3 ALA 113 HB3 ALA 113 6.952 17.562 -3.400 825 H ILE 114 H ILE 114 8.525 20.518 -2.335 826 HA ILE 114 HA ILE 114 11.087 21.139 -3.262 827 HB ILE 114 HB ILE 114 10.637 23.444 -2.511 828 HG12 ILE 114 HG12 ILE 114 8.185 22.199 -1.249 829 HG13 ILE 114 HG13 ILE 114 9.518 22.976 -0.402 830 HG21 ILE 114 HG21 ILE 114 8.023 22.664 -3.620 831 HG22 ILE 114 HG22 ILE 114 9.214 23.817 -4.219 832 HG23 ILE 114 HG23 ILE 114 9.435 22.092 -4.508 833 HD11 ILE 114 HD11 ILE 114 8.048 24.690 -0.391 834 HD12 ILE 114 HD12 ILE 114 8.796 25.004 -1.958 835 HD13 ILE 114 HD13 ILE 114 7.248 24.163 -1.872 836 H LYS 115 H LYS 115 9.841 20.776 0.006 837 HA LYS 115 HA LYS 115 12.092 21.830 1.358 838 HB2 LYS 115 HB2 LYS 115 9.587 20.672 2.056 839 HB3 LYS 115 HB3 LYS 115 10.839 19.811 2.941 840 HG2 LYS 115 HG2 LYS 115 11.419 22.576 3.113 841 HG3 LYS 115 HG3 LYS 115 9.707 22.356 3.481 842 HD2 LYS 115 HD2 LYS 115 10.923 22.171 5.530 843 HD3 LYS 115 HD3 LYS 115 10.367 20.555 5.087 844 HE2 LYS 115 HE2 LYS 115 12.865 20.842 3.869 845 HE3 LYS 115 HE3 LYS 115 13.052 21.535 5.478 846 HZ1 LYS 115 HZ1 LYS 115 13.342 19.438 6.129 847 HZ2 LYS 115 HZ2 LYS 115 12.714 18.792 4.698 848 HZ3 LYS 115 HZ3 LYS 115 11.670 19.255 5.946 849 H ALA 116 H ALA 116 11.197 18.550 0.374 850 HA ALA 116 HA ALA 116 13.229 17.126 1.619 851 HB1 ALA 116 HB1 ALA 116 11.504 15.881 0.627 852 HB2 ALA 116 HB2 ALA 116 11.739 16.648 -0.944 853 HB3 ALA 116 HB3 ALA 116 12.940 15.512 -0.329 854 H ALA 117 H ALA 117 13.325 19.152 -1.213 855 HA ALA 117 HA ALA 117 15.868 18.205 -2.148 856 HB1 ALA 117 HB1 ALA 117 13.821 19.744 -3.215 857 HB2 ALA 117 HB2 ALA 117 15.177 20.862 -3.058 858 HB3 ALA 117 HB3 ALA 117 15.366 19.368 -3.976 859 H ILE 118 H ILE 118 14.734 21.023 -0.320 860 HA ILE 118 HA ILE 118 17.242 22.306 -0.125 861 HB ILE 118 HB ILE 118 14.836 22.492 1.691 862 HG12 ILE 118 HG12 ILE 118 15.783 24.310 -0.535 863 HG13 ILE 118 HG13 ILE 118 14.453 23.164 -0.664 864 HG21 ILE 118 HG21 ILE 118 16.159 23.619 3.080 865 HG22 ILE 118 HG22 ILE 118 17.494 23.600 1.930 866 HG23 ILE 118 HG23 ILE 118 16.269 24.865 1.837 867 HD11 ILE 118 HD11 ILE 118 13.688 24.579 1.503 868 HD12 ILE 118 HD12 ILE 118 14.552 25.812 0.583 869 HD13 ILE 118 HD13 ILE 118 13.204 24.945 -0.152 870 H ALA 119 H ALA 119 15.682 19.813 1.782 871 HA ALA 119 HA ALA 119 17.582 19.926 3.933 872 HB1 ALA 119 HB1 ALA 119 16.483 17.810 4.659 873 HB2 ALA 119 HB2 ALA 119 15.371 19.160 4.430 874 HB3 ALA 119 HB3 ALA 119 15.481 17.891 3.210 875 H ASP 120 H ASP 120 17.405 18.377 0.858 876 HA ASP 120 HA ASP 120 19.260 16.270 1.445 877 HB2 ASP 120 HB2 ASP 120 17.804 17.255 -0.934 878 HB3 ASP 120 HB3 ASP 120 19.340 16.455 -1.256 879 H TYR 121 H TYR 121 19.459 19.533 0.187 880 HA TYR 121 HA TYR 121 22.098 19.402 -0.806 881 HB2 TYR 121 HB2 TYR 121 20.736 21.220 -1.517 882 HB3 TYR 121 HB3 TYR 121 20.390 21.703 0.140 883 HD1 TYR 121 HD1 TYR 121 23.679 20.858 -1.382 884 HD2 TYR 121 HD2 TYR 121 21.188 23.898 0.247 885 HE1 TYR 121 HE1 TYR 121 25.566 22.434 -1.453 886 HE2 TYR 121 HE2 TYR 121 23.067 25.483 0.179 887 HH TYR 121 HH TYR 121 26.031 24.751 -1.447 888 H LYS 122 H LYS 122 20.803 20.515 2.313 889 HA LYS 122 HA LYS 122 23.206 21.281 3.492 890 HB2 LYS 122 HB2 LYS 122 20.894 20.003 4.954 891 HB3 LYS 122 HB3 LYS 122 22.070 21.140 5.600 892 HG2 LYS 122 HG2 LYS 122 21.061 22.629 3.614 893 HG3 LYS 122 HG3 LYS 122 19.658 21.621 3.975 894 HD2 LYS 122 HD2 LYS 122 21.044 22.727 6.322 895 HD3 LYS 122 HD3 LYS 122 20.271 23.920 5.276 896 HE2 LYS 122 HE2 LYS 122 18.323 23.428 6.222 897 HE3 LYS 122 HE3 LYS 122 18.444 21.801 5.555 898 HZ1 LYS 122 HZ1 LYS 122 20.060 21.996 7.854 899 HZ2 LYS 122 HZ2 LYS 122 18.719 21.000 7.585 900 HZ3 LYS 122 HZ3 LYS 122 18.506 22.549 8.230 901 H SER 123 H SER 123 21.919 18.131 2.873 902 HA SER 123 HA SER 123 23.608 16.758 4.753 903 HB2 SER 123 HB2 SER 123 21.340 16.095 3.241 904 HB3 SER 123 HB3 SER 123 22.632 15.073 2.611 905 HG SER 123 HG SER 123 23.019 14.366 4.740 906 H LYS 124 H LYS 124 23.907 17.930 1.537 907 HA LYS 124 HA LYS 124 25.998 16.152 0.712 908 HB2 LYS 124 HB2 LYS 124 25.140 18.828 -0.404 909 HB3 LYS 124 HB3 LYS 124 26.264 17.722 -1.181 910 HG2 LYS 124 HG2 LYS 124 23.487 16.857 -0.471 911 HG3 LYS 124 HG3 LYS 124 23.823 17.739 -1.963 912 HD2 LYS 124 HD2 LYS 124 25.519 15.997 -2.526 913 HD3 LYS 124 HD3 LYS 124 24.986 15.089 -1.109 914 HE2 LYS 124 HE2 LYS 124 23.005 14.493 -2.066 915 HE3 LYS 124 HE3 LYS 124 22.909 15.960 -3.039 916 HZ1 LYS 124 HZ1 LYS 124 23.310 14.224 -4.539 917 HZ2 LYS 124 HZ2 LYS 124 24.505 13.524 -3.567 918 HZ3 LYS 124 HZ3 LYS 124 24.809 14.987 -4.360 919 H ARG 125 H ARG 125 25.838 18.920 2.691 920 HA ARG 125 HA ARG 125 28.759 19.263 2.508 921 HB2 ARG 125 HB2 ARG 125 28.414 21.562 3.334 922 HB3 ARG 125 HB3 ARG 125 27.600 21.277 1.802 923 HG2 ARG 125 HG2 ARG 125 25.948 22.372 2.911 924 HG3 ARG 125 HG3 ARG 125 25.567 20.717 3.390 925 HD2 ARG 125 HD2 ARG 125 26.261 21.033 5.535 926 HD3 ARG 125 HD3 ARG 125 27.489 22.213 5.078 927 HE ARG 125 HE ARG 125 24.920 23.291 4.647 928 HH11 ARG 125 HH11 ARG 125 27.101 22.421 7.217 929 HH12 ARG 125 HH12 ARG 125 26.473 23.597 8.324 930 HH21 ARG 125 HH21 ARG 125 24.085 24.843 6.095 931 HH22 ARG 125 HH22 ARG 125 24.757 24.973 7.685 932 H GLU 126 H GLU 126 26.232 18.171 4.420 933 HA GLU 126 HA GLU 126 27.427 18.828 6.974 934 HB2 GLU 126 HB2 GLU 126 24.928 17.516 6.052 935 HB3 GLU 126 HB3 GLU 126 25.540 17.035 7.629 936 HG2 GLU 126 HG2 GLU 126 25.429 19.933 7.129 937 HG3 GLU 126 HG3 GLU 126 23.876 19.105 7.226 938 H ALA 127 H ALA 127 27.399 16.188 4.719 939 HA ALA 127 HA ALA 127 29.153 14.672 6.535 940 HB1 ALA 127 HB1 ALA 127 26.638 13.858 5.751 941 HB2 ALA 127 HB2 ALA 127 27.711 13.000 4.646 942 HB3 ALA 127 HB3 ALA 127 27.916 12.823 6.388 943 H LYS 128 H LYS 128 31.089 15.169 5.631 944 HA LYS 128 HA LYS 128 31.789 13.899 3.175 945 HB2 LYS 128 HB2 LYS 128 30.759 15.903 2.235 946 HB3 LYS 128 HB3 LYS 128 31.776 16.922 3.245 947 HG2 LYS 128 HG2 LYS 128 33.747 16.217 2.068 948 HG3 LYS 128 HG3 LYS 128 32.817 15.040 1.138 949 HD2 LYS 128 HD2 LYS 128 32.807 16.707 -0.395 950 HD3 LYS 128 HD3 LYS 128 31.430 17.263 0.559 951 HE2 LYS 128 HE2 LYS 128 33.632 18.313 1.872 952 HE3 LYS 128 HE3 LYS 128 34.035 18.480 0.164 953 HZ1 LYS 128 HZ1 LYS 128 32.586 20.254 1.497 954 HZ2 LYS 128 HZ2 LYS 128 31.341 19.261 0.928 955 HZ3 LYS 128 HZ3 LYS 128 32.410 19.985 -0.164 Start of MODEL 15 1 H1 MET 1 H MET 1 -11.292 29.988 -1.786 2 HA MET 1 HA MET 1 -13.143 29.062 -0.186 3 HB2 MET 1 HB2 MET 1 -13.958 31.942 -0.609 4 HB3 MET 1 HB3 MET 1 -14.873 30.712 0.252 5 HG2 MET 1 HG2 MET 1 -13.098 30.573 1.929 6 HG3 MET 1 HG3 MET 1 -12.198 31.821 1.070 7 HE1 MET 1 HE1 MET 1 -15.996 31.481 2.886 8 HE2 MET 1 HE2 MET 1 -14.512 30.801 3.555 9 HE3 MET 1 HE3 MET 1 -15.211 32.259 4.261 10 H ALA 2 H ALA 2 -12.563 28.263 -2.551 11 HA ALA 2 HA ALA 2 -14.998 28.139 -3.960 12 HB1 ALA 2 HB1 ALA 2 -13.994 30.489 -4.524 13 HB2 ALA 2 HB2 ALA 2 -12.974 29.562 -5.624 14 HB3 ALA 2 HB3 ALA 2 -14.729 29.503 -5.789 15 H TYR 3 H TYR 3 -14.514 27.211 -6.309 16 HA TYR 3 HA TYR 3 -12.098 25.702 -6.572 17 HB2 TYR 3 HB2 TYR 3 -13.108 23.469 -6.403 18 HB3 TYR 3 HB3 TYR 3 -13.214 24.334 -4.874 19 HD1 TYR 3 HD1 TYR 3 -15.385 25.216 -4.097 20 HD2 TYR 3 HD2 TYR 3 -15.077 22.847 -7.618 21 HE1 TYR 3 HE1 TYR 3 -17.812 24.825 -4.039 22 HE2 TYR 3 HE2 TYR 3 -17.504 22.451 -7.570 23 HH TYR 3 HH TYR 3 -19.619 24.226 -5.639 24 H SER 4 H SER 4 -11.846 24.839 -8.617 25 HA SER 4 HA SER 4 -13.909 24.398 -10.472 26 HB2 SER 4 HB2 SER 4 -13.054 27.164 -10.203 27 HB3 SER 4 HB3 SER 4 -12.793 26.558 -11.838 28 HG SER 4 HG SER 4 -15.234 26.367 -10.401 29 H GLU 5 H GLU 5 -10.558 25.413 -10.014 30 HA GLU 5 HA GLU 5 -8.603 24.692 -10.924 31 HB2 GLU 5 HB2 GLU 5 -10.101 22.425 -10.481 32 HB3 GLU 5 HB3 GLU 5 -9.659 22.264 -12.175 33 HG2 GLU 5 HG2 GLU 5 -7.319 22.437 -11.627 34 HG3 GLU 5 HG3 GLU 5 -7.707 22.741 -9.935 35 H LYS 6 H LYS 6 -7.751 23.589 -13.145 36 HA LYS 6 HA LYS 6 -9.281 24.350 -15.460 37 HB2 LYS 6 HB2 LYS 6 -7.671 26.004 -16.300 38 HB3 LYS 6 HB3 LYS 6 -8.418 26.536 -14.799 39 HG2 LYS 6 HG2 LYS 6 -5.877 25.072 -14.521 40 HG3 LYS 6 HG3 LYS 6 -5.782 26.661 -15.285 41 HD2 LYS 6 HD2 LYS 6 -7.108 27.548 -13.329 42 HD3 LYS 6 HD3 LYS 6 -6.862 25.980 -12.556 43 HE2 LYS 6 HE2 LYS 6 -4.642 26.351 -12.199 44 HE3 LYS 6 HE3 LYS 6 -4.470 27.368 -13.629 45 HZ1 LYS 6 HZ1 LYS 6 -5.689 28.141 -11.036 46 HZ2 LYS 6 HZ2 LYS 6 -5.707 29.112 -12.420 47 HZ3 LYS 6 HZ3 LYS 6 -4.236 28.714 -11.686 48 H VAL 7 H VAL 7 -7.682 24.243 -17.470 49 HA VAL 7 HA VAL 7 -6.480 22.843 -18.806 50 HB VAL 7 HB VAL 7 -4.787 22.388 -16.347 51 HG11 VAL 7 HG11 VAL 7 -4.642 21.371 -18.987 52 HG12 VAL 7 HG12 VAL 7 -3.312 22.511 -18.775 53 HG13 VAL 7 HG13 VAL 7 -3.497 21.153 -17.664 54 HG21 VAL 7 HG21 VAL 7 -5.112 24.782 -16.772 55 HG22 VAL 7 HG22 VAL 7 -3.449 24.284 -17.086 56 HG23 VAL 7 HG23 VAL 7 -4.556 24.558 -18.431 57 H ILE 8 H ILE 8 -8.403 21.422 -18.737 58 HA ILE 8 HA ILE 8 -8.357 19.112 -17.032 59 HB ILE 8 HB ILE 8 -10.470 20.088 -17.890 60 HG12 ILE 8 HG12 ILE 8 -10.564 17.392 -19.067 61 HG13 ILE 8 HG13 ILE 8 -9.845 17.457 -17.461 62 HG21 ILE 8 HG21 ILE 8 -11.147 19.626 -20.202 63 HG22 ILE 8 HG22 ILE 8 -9.732 20.675 -20.128 64 HG23 ILE 8 HG23 ILE 8 -9.544 18.969 -20.533 65 HD11 ILE 8 HD11 ILE 8 -12.387 17.064 -17.722 66 HD12 ILE 8 HD12 ILE 8 -11.801 18.164 -16.474 67 HD13 ILE 8 HD13 ILE 8 -12.453 18.807 -17.981 68 H ASP 9 H ASP 9 -7.128 19.934 -20.163 69 HA ASP 9 HA ASP 9 -6.903 17.409 -21.331 70 HB2 ASP 9 HB2 ASP 9 -5.369 18.377 -22.841 71 HB3 ASP 9 HB3 ASP 9 -6.436 19.698 -22.374 72 H HIS 10 H HIS 10 -4.905 16.144 -21.655 73 HA HIS 10 HA HIS 10 -3.388 15.968 -19.140 74 HB2 HIS 10 HB2 HIS 10 -4.078 13.865 -21.195 75 HB3 HIS 10 HB3 HIS 10 -2.929 13.597 -19.888 76 HD1 HIS 10 HD1 HIS 10 -4.252 11.899 -18.576 77 HD2 HIS 10 HD2 HIS 10 -6.402 15.369 -19.354 78 HE1 HIS 10 HE1 HIS 10 -6.349 11.713 -17.201 79 H TYR 11 H TYR 11 -1.195 14.715 -19.616 80 HA TYR 11 HA TYR 11 0.097 15.499 -22.071 81 HB2 TYR 11 HB2 TYR 11 0.100 17.552 -20.536 82 HB3 TYR 11 HB3 TYR 11 1.224 16.652 -19.524 83 HD1 TYR 11 HD2 TYR 11 3.263 15.591 -20.906 84 HD2 TYR 11 HD1 TYR 11 1.002 18.996 -22.088 85 HE1 TYR 11 HE2 TYR 11 5.136 16.339 -22.313 86 HE2 TYR 11 HE1 TYR 11 2.869 19.753 -23.499 87 HH TYR 11 HH TYR 11 4.934 18.391 -24.705 88 H GLU 12 H GLU 12 1.669 14.098 -22.562 89 HA GLU 12 HA GLU 12 3.070 12.667 -20.443 90 HB2 GLU 12 HB2 GLU 12 1.175 11.434 -22.380 91 HB3 GLU 12 HB3 GLU 12 2.649 10.551 -22.008 92 HG2 GLU 12 HG2 GLU 12 1.608 11.401 -19.547 93 HG3 GLU 12 HG3 GLU 12 0.243 10.792 -20.481 94 H ASN 13 H ASN 13 4.789 11.185 -21.460 95 HA ASN 13 HA ASN 13 6.758 11.103 -22.602 96 HB2 ASN 13 HB2 ASN 13 5.062 10.403 -24.357 97 HB3 ASN 13 HB3 ASN 13 5.152 12.049 -24.978 98 HD21 ASN 13 HD21 ASN 13 5.762 10.171 -26.707 99 HD22 ASN 13 HD22 ASN 13 7.465 10.069 -26.980 100 HA PRO 14 HA PRO 14 7.260 15.733 -22.306 101 HB2 PRO 14 HB2 PRO 14 9.121 15.657 -20.331 102 HB3 PRO 14 HB3 PRO 14 7.383 15.685 -20.012 103 HG2 PRO 14 HG2 PRO 14 9.267 13.360 -20.031 104 HG3 PRO 14 HG3 PRO 14 7.970 13.739 -18.883 105 HD2 PRO 14 HD2 PRO 14 7.674 11.919 -20.865 106 HD3 PRO 14 HD3 PRO 14 6.327 12.911 -20.272 107 H ARG 15 H ARG 15 8.600 16.602 -23.749 108 HA ARG 15 HA ARG 15 10.944 15.123 -24.623 109 HB2 ARG 15 HB2 ARG 15 9.330 16.197 -26.228 110 HB3 ARG 15 HB3 ARG 15 9.903 17.761 -25.662 111 HG2 ARG 15 HG2 ARG 15 12.036 17.436 -26.574 112 HG3 ARG 15 HG3 ARG 15 11.775 15.703 -26.780 113 HD2 ARG 15 HD2 ARG 15 9.802 16.540 -28.321 114 HD3 ARG 15 HD3 ARG 15 10.803 17.987 -28.423 115 HE ARG 15 HE ARG 15 11.324 15.432 -29.626 116 HH11 ARG 15 HH11 ARG 15 12.752 18.380 -28.447 117 HH12 ARG 15 HH12 ARG 15 14.164 18.248 -29.444 118 HH21 ARG 15 HH21 ARG 15 13.177 15.247 -30.943 119 HH22 ARG 15 HH22 ARG 15 14.404 16.466 -30.864 120 H ASN 16 H ASN 16 10.142 17.907 -22.720 121 HA ASN 16 HA ASN 16 12.741 19.111 -22.820 122 HB2 ASN 16 HB2 ASN 16 10.497 19.534 -20.833 123 HB3 ASN 16 HB3 ASN 16 11.901 20.575 -21.043 124 HD21 ASN 16 HD21 ASN 16 12.193 21.194 -23.476 125 HD22 ASN 16 HD22 ASN 16 10.764 21.807 -24.230 126 H VAL 17 H VAL 17 11.208 16.659 -20.910 127 HA VAL 17 HA VAL 17 12.005 15.241 -19.316 128 HB VAL 17 HB VAL 17 14.678 16.429 -20.071 129 HG11 VAL 17 HG11 VAL 17 15.396 14.114 -19.055 130 HG12 VAL 17 HG12 VAL 17 15.168 15.525 -18.020 131 HG13 VAL 17 HG13 VAL 17 13.903 14.301 -18.136 132 HG21 VAL 17 HG21 VAL 17 14.535 13.787 -20.908 133 HG22 VAL 17 HG22 VAL 17 12.949 14.454 -21.293 134 HG23 VAL 17 HG23 VAL 17 14.405 15.222 -21.925 135 H GLY 18 H GLY 18 14.384 17.827 -18.819 136 HA2 GLY 18 HA2 GLY 18 14.480 19.438 -17.137 137 HA3 GLY 18 HA3 GLY 18 12.968 18.818 -16.490 138 H SER 19 H SER 19 16.104 17.253 -17.110 139 HA SER 19 HA SER 19 16.235 16.604 -14.239 140 HB2 SER 19 HB2 SER 19 17.161 14.413 -14.805 141 HB3 SER 19 HB3 SER 19 15.583 14.619 -15.565 142 HG SER 19 HG SER 19 18.140 14.798 -16.767 143 H PHE 20 H PHE 20 18.570 15.697 -13.766 144 HA PHE 20 HA PHE 20 20.484 17.568 -14.999 145 HB2 PHE 20 HB2 PHE 20 21.689 17.524 -12.818 146 HB3 PHE 20 HB3 PHE 20 20.072 18.210 -12.706 147 HD1 PHE 20 HD2 PHE 20 18.229 16.848 -11.733 148 HD2 PHE 20 HD1 PHE 20 22.297 15.603 -11.597 149 HE1 PHE 20 HE2 PHE 20 17.678 15.257 -9.939 150 HE2 PHE 20 HE1 PHE 20 21.752 14.009 -9.803 151 HZ PHE 20 HZ PHE 20 19.441 13.835 -8.971 152 H ASP 21 H ASP 21 19.849 14.312 -13.965 153 HA ASP 21 HA ASP 21 20.870 12.338 -14.472 154 HB2 ASP 21 HB2 ASP 21 21.743 14.127 -16.538 155 HB3 ASP 21 HB3 ASP 21 23.076 13.066 -16.090 156 H ASN 22 H ASN 22 23.692 14.485 -14.701 157 HA ASN 22 HA ASN 22 24.943 12.945 -12.542 158 HB2 ASN 22 HB2 ASN 22 25.915 13.712 -15.006 159 HB3 ASN 22 HB3 ASN 22 26.623 14.906 -13.923 160 HD21 ASN 22 HD21 ASN 22 28.309 14.346 -12.694 161 HD22 ASN 22 HD22 ASN 22 28.969 12.753 -12.592 162 H ASN 23 H ASN 23 25.066 13.788 -10.577 163 HA ASN 23 HA ASN 23 24.049 16.235 -9.807 164 HB2 ASN 23 HB2 ASN 23 24.916 15.808 -7.668 165 HB3 ASN 23 HB3 ASN 23 24.719 14.203 -8.366 166 HD21 ASN 23 HD21 ASN 23 26.613 13.171 -9.253 167 HD22 ASN 23 HD22 ASN 23 28.166 13.525 -8.583 168 H ASP 24 H ASP 24 25.155 18.120 -8.901 169 HA ASP 24 HA ASP 24 27.620 18.749 -10.390 170 HB2 ASP 24 HB2 ASP 24 25.558 20.012 -11.087 171 HB3 ASP 24 HB3 ASP 24 25.525 20.727 -9.478 172 H GLU 25 H GLU 25 27.168 17.613 -7.634 173 HA GLU 25 HA GLU 25 28.143 17.768 -5.584 174 HB2 GLU 25 HB2 GLU 25 29.767 20.069 -6.658 175 HB3 GLU 25 HB3 GLU 25 30.191 18.956 -5.365 176 HG2 GLU 25 HG2 GLU 25 29.760 17.357 -7.613 177 HG3 GLU 25 HG3 GLU 25 30.674 18.751 -8.187 178 H ASN 26 H ASN 26 25.920 19.663 -6.578 179 HA ASN 26 HA ASN 26 25.535 20.985 -4.084 180 HB2 ASN 26 HB2 ASN 26 25.343 23.297 -5.332 181 HB3 ASN 26 HB3 ASN 26 26.896 22.743 -4.714 182 HD21 ASN 26 HD21 ASN 26 24.904 22.367 -7.629 183 HD22 ASN 26 HD22 ASN 26 26.205 22.574 -8.748 184 H VAL 27 H VAL 27 24.194 19.169 -5.977 185 HA VAL 27 HA VAL 27 21.837 20.749 -6.728 186 HB VAL 27 HB VAL 27 22.698 19.406 -8.535 187 HG11 VAL 27 HG11 VAL 27 23.912 17.739 -7.264 188 HG12 VAL 27 HG12 VAL 27 22.399 17.058 -6.664 189 HG13 VAL 27 HG13 VAL 27 22.797 16.949 -8.379 190 HG21 VAL 27 HG21 VAL 27 20.680 18.699 -9.257 191 HG22 VAL 27 HG22 VAL 27 20.388 17.719 -7.819 192 HG23 VAL 27 HG23 VAL 27 20.113 19.461 -7.771 193 H GLY 28 H GLY 28 19.926 20.518 -5.721 194 HA2 GLY 28 HA2 GLY 28 19.796 18.541 -3.540 195 HA3 GLY 28 HA3 GLY 28 18.892 20.047 -3.595 196 H SER 29 H SER 29 18.409 16.905 -3.624 197 HA SER 29 HA SER 29 16.379 16.924 -5.749 198 HB2 SER 29 HB2 SER 29 16.466 14.542 -5.745 199 HB3 SER 29 HB3 SER 29 18.141 15.091 -5.681 200 HG SER 29 HG SER 29 17.599 14.908 -3.227 201 H GLY 30 H GLY 30 14.370 17.345 -5.135 202 HA2 GLY 30 HA2 GLY 30 13.531 16.492 -2.432 203 HA3 GLY 30 HA3 GLY 30 12.999 17.998 -3.163 204 H MET 31 H MET 31 12.216 14.799 -2.610 205 HA MET 31 HA MET 31 9.994 14.981 -4.518 206 HB2 MET 31 HB2 MET 31 10.325 12.883 -5.419 207 HB3 MET 31 HB3 MET 31 11.985 13.420 -5.204 208 HG2 MET 31 HG2 MET 31 11.997 12.202 -3.016 209 HG3 MET 31 HG3 MET 31 10.431 11.528 -3.464 210 HE1 MET 31 HE1 MET 31 9.948 9.842 -4.599 211 HE2 MET 31 HE2 MET 31 10.577 9.658 -6.237 212 HE3 MET 31 HE3 MET 31 11.061 8.526 -4.973 213 H VAL 32 H VAL 32 8.076 13.983 -3.865 214 HA VAL 32 HA VAL 32 8.010 12.699 -1.244 215 HB VAL 32 HB VAL 32 6.166 14.116 -0.457 216 HG11 VAL 32 HG11 VAL 32 8.725 15.540 -1.163 217 HG12 VAL 32 HG12 VAL 32 7.512 16.192 -0.060 218 HG13 VAL 32 HG13 VAL 32 8.344 14.686 0.332 219 HG21 VAL 32 HG21 VAL 32 5.524 16.129 -1.582 220 HG22 VAL 32 HG22 VAL 32 6.773 15.905 -2.806 221 HG23 VAL 32 HG23 VAL 32 5.402 14.799 -2.734 222 H GLY 33 H GLY 33 6.116 11.468 -0.854 223 HA2 GLY 33 HA2 GLY 33 4.151 11.266 -2.998 224 HA3 GLY 33 HA3 GLY 33 5.141 9.843 -2.715 225 H ALA 34 H ALA 34 2.680 9.230 -2.439 226 HA ALA 34 HA ALA 34 2.322 8.835 0.404 227 HB1 ALA 34 HB1 ALA 34 -0.238 9.589 -0.243 228 HB2 ALA 34 HB2 ALA 34 0.925 10.558 0.663 229 HB3 ALA 34 HB3 ALA 34 0.748 10.790 -1.076 230 HA PRO 35 HA PRO 35 0.843 4.964 -1.088 231 HB2 PRO 35 HB2 PRO 35 -0.444 4.113 1.145 232 HB3 PRO 35 HB3 PRO 35 1.317 4.149 1.007 233 HG2 PRO 35 HG2 PRO 35 -0.519 6.109 2.329 234 HG3 PRO 35 HG3 PRO 35 1.033 5.468 2.900 235 HD2 PRO 35 HD2 PRO 35 0.798 7.912 1.759 236 HD3 PRO 35 HD3 PRO 35 2.257 6.915 1.589 237 H ALA 36 H ALA 36 -1.542 6.786 0.846 238 HA ALA 36 HA ALA 36 -3.769 5.610 -0.526 239 HB1 ALA 36 HB1 ALA 36 -3.523 6.722 1.898 240 HB2 ALA 36 HB2 ALA 36 -4.169 8.102 1.009 241 HB3 ALA 36 HB3 ALA 36 -5.064 6.583 1.052 242 H CYS 37 H CYS 37 -1.856 8.504 -0.865 243 HA CYS 37 HA CYS 37 -3.685 9.923 -2.525 244 HB2 CYS 37 HB2 CYS 37 -1.630 10.795 -1.173 245 HB3 CYS 37 HB3 CYS 37 -0.717 10.354 -2.611 246 HG CYS 37 HG CYS 37 -1.837 12.151 -4.290 247 H GLY 38 H GLY 38 -1.470 7.354 -3.060 248 HA2 GLY 38 HA2 GLY 38 -0.758 6.271 -4.959 249 HA3 GLY 38 HA3 GLY 38 -2.335 6.714 -5.596 250 H ALA 39 H ALA 39 0.587 8.588 -4.789 251 HA ALA 39 HA ALA 39 1.177 9.155 -7.527 252 HB1 ALA 39 HB1 ALA 39 -0.849 10.612 -6.974 253 HB2 ALA 39 HB2 ALA 39 0.256 11.544 -5.962 254 HB3 ALA 39 HB3 ALA 39 0.554 11.403 -7.695 255 H VAL 40 H VAL 40 2.852 11.041 -7.613 256 HA VAL 40 HA VAL 40 4.397 11.444 -5.219 257 HB VAL 40 HB VAL 40 5.086 9.151 -5.979 258 HG11 VAL 40 HG11 VAL 40 4.906 9.824 -8.441 259 HG12 VAL 40 HG12 VAL 40 6.507 10.534 -8.231 260 HG13 VAL 40 HG13 VAL 40 6.266 8.806 -7.970 261 HG21 VAL 40 HG21 VAL 40 7.250 11.250 -6.080 262 HG22 VAL 40 HG22 VAL 40 6.528 10.606 -4.605 263 HG23 VAL 40 HG23 VAL 40 7.455 9.548 -5.668 264 H MET 41 H MET 41 6.075 12.986 -5.482 265 HA MET 41 HA MET 41 6.105 14.362 -8.082 266 HB2 MET 41 HB2 MET 41 5.789 15.579 -5.342 267 HB3 MET 41 HB3 MET 41 6.300 16.517 -6.739 268 HG2 MET 41 HG2 MET 41 3.891 14.944 -7.210 269 HG3 MET 41 HG3 MET 41 3.721 16.136 -5.923 270 HE1 MET 41 HE1 MET 41 2.993 18.166 -6.170 271 HE2 MET 41 HE2 MET 41 4.444 19.054 -6.638 272 HE3 MET 41 HE3 MET 41 2.964 19.222 -7.584 273 H LYS 42 H LYS 42 8.050 15.247 -8.714 274 HA LYS 42 HA LYS 42 10.332 14.953 -6.893 275 HB2 LYS 42 HB2 LYS 42 10.120 13.871 -9.700 276 HB3 LYS 42 HB3 LYS 42 11.663 14.124 -8.896 277 HG2 LYS 42 HG2 LYS 42 11.130 12.522 -7.210 278 HG3 LYS 42 HG3 LYS 42 9.470 12.384 -7.794 279 HD2 LYS 42 HD2 LYS 42 10.674 10.482 -8.588 280 HD3 LYS 42 HD3 LYS 42 10.399 11.549 -9.967 281 HE2 LYS 42 HE2 LYS 42 12.674 12.430 -9.729 282 HE3 LYS 42 HE3 LYS 42 12.944 11.357 -8.357 283 HZ1 LYS 42 HZ1 LYS 42 13.290 10.803 -11.073 284 HZ2 LYS 42 HZ2 LYS 42 12.027 9.826 -10.516 285 HZ3 LYS 42 HZ3 LYS 42 13.538 9.769 -9.757 286 H LEU 43 H LEU 43 11.589 16.701 -6.847 287 HA LEU 43 HA LEU 43 11.671 18.472 -9.181 288 HB2 LEU 43 HB2 LEU 43 10.736 19.133 -6.443 289 HB3 LEU 43 HB3 LEU 43 11.712 20.336 -7.284 290 HG LEU 43 HG LEU 43 10.040 20.221 -9.164 291 HD11 LEU 43 HD11 LEU 43 8.592 18.535 -9.118 292 HD12 LEU 43 HD12 LEU 43 7.767 19.391 -7.816 293 HD13 LEU 43 HD13 LEU 43 8.971 18.159 -7.437 294 HD21 LEU 43 HD21 LEU 43 10.079 22.030 -7.499 295 HD22 LEU 43 HD22 LEU 43 8.993 21.094 -6.472 296 HD23 LEU 43 HD23 LEU 43 8.443 21.666 -8.047 297 H GLN 44 H GLN 44 13.543 19.785 -9.319 298 HA GLN 44 HA GLN 44 15.736 18.939 -7.542 299 HB2 GLN 44 HB2 GLN 44 15.806 18.090 -9.942 300 HB3 GLN 44 HB3 GLN 44 16.074 19.760 -10.423 301 HG2 GLN 44 HG2 GLN 44 17.907 19.125 -8.350 302 HG3 GLN 44 HG3 GLN 44 17.965 17.846 -9.562 303 HE21 GLN 44 HE21 GLN 44 19.017 20.914 -8.725 304 HE22 GLN 44 HE22 GLN 44 19.697 21.379 -10.243 305 H ILE 45 H ILE 45 17.365 20.489 -7.082 306 HA ILE 45 HA ILE 45 16.778 23.264 -7.801 307 HB ILE 45 HB ILE 45 17.078 24.016 -5.479 308 HG12 ILE 45 HG12 ILE 45 16.803 21.125 -4.660 309 HG13 ILE 45 HG13 ILE 45 18.367 21.917 -4.816 310 HG21 ILE 45 HG21 ILE 45 14.878 23.811 -4.987 311 HG22 ILE 45 HG22 ILE 45 14.823 23.141 -6.616 312 HG23 ILE 45 HG23 ILE 45 14.875 22.063 -5.221 313 HD11 ILE 45 HD11 ILE 45 16.145 22.735 -2.962 314 HD12 ILE 45 HD12 ILE 45 17.632 21.901 -2.512 315 HD13 ILE 45 HD13 ILE 45 17.698 23.552 -3.128 316 H LYS 46 H LYS 46 18.566 24.745 -7.206 317 HA LYS 46 HA LYS 46 21.160 23.417 -6.899 318 HB2 LYS 46 HB2 LYS 46 20.442 23.964 -9.369 319 HB3 LYS 46 HB3 LYS 46 20.898 25.604 -8.926 320 HG2 LYS 46 HG2 LYS 46 22.851 23.498 -8.266 321 HG3 LYS 46 HG3 LYS 46 22.595 23.817 -9.983 322 HD2 LYS 46 HD2 LYS 46 22.932 26.268 -9.439 323 HD3 LYS 46 HD3 LYS 46 23.487 25.743 -7.848 324 HE2 LYS 46 HE2 LYS 46 25.510 25.684 -8.823 325 HE3 LYS 46 HE3 LYS 46 24.957 24.140 -9.471 326 HZ1 LYS 46 HZ1 LYS 46 25.011 26.774 -10.818 327 HZ2 LYS 46 HZ2 LYS 46 24.078 25.491 -11.404 328 HZ3 LYS 46 HZ3 LYS 46 25.759 25.334 -11.298 329 H VAL 47 H VAL 47 21.973 24.293 -5.114 330 HA VAL 47 HA VAL 47 21.546 27.161 -4.616 331 HB VAL 47 HB VAL 47 22.503 25.104 -2.626 332 HG11 VAL 47 HG11 VAL 47 21.819 26.788 -0.977 333 HG12 VAL 47 HG12 VAL 47 23.062 27.405 -2.067 334 HG13 VAL 47 HG13 VAL 47 21.379 27.883 -2.287 335 HG21 VAL 47 HG21 VAL 47 19.888 25.883 -1.996 336 HG22 VAL 47 HG22 VAL 47 19.872 25.495 -3.716 337 HG23 VAL 47 HG23 VAL 47 20.432 24.299 -2.548 338 H ASN 48 H ASN 48 23.271 28.505 -4.074 339 HA ASN 48 HA ASN 48 25.888 27.514 -4.956 340 HB2 ASN 48 HB2 ASN 48 26.288 30.157 -4.804 341 HB3 ASN 48 HB3 ASN 48 25.579 29.391 -6.223 342 HD21 ASN 48 HD21 ASN 48 24.535 30.607 -3.054 343 HD22 ASN 48 HD22 ASN 48 23.126 31.417 -3.641 344 H ASP 49 H ASP 49 27.720 28.957 -3.845 345 HA ASP 49 HA ASP 49 27.984 28.031 -1.230 346 HB2 ASP 49 HB2 ASP 49 29.517 29.641 -3.063 347 HB3 ASP 49 HB3 ASP 49 29.604 30.328 -1.443 348 H GLU 50 H GLU 50 26.419 30.856 -2.458 349 HA GLU 50 HA GLU 50 26.433 32.339 -0.012 350 HB2 GLU 50 HB2 GLU 50 25.402 32.678 -2.716 351 HB3 GLU 50 HB3 GLU 50 24.280 33.265 -1.498 352 HG2 GLU 50 HG2 GLU 50 25.501 35.074 -1.127 353 HG3 GLU 50 HG3 GLU 50 26.970 34.122 -0.922 354 H GLY 51 H GLY 51 24.591 29.726 -1.238 355 HA2 GLY 51 HA2 GLY 51 23.064 28.431 -0.041 356 HA3 GLY 51 HA3 GLY 51 22.989 29.692 1.181 357 H ILE 52 H ILE 52 22.520 30.304 -2.234 358 HA ILE 52 HA ILE 52 19.654 30.747 -1.709 359 HB ILE 52 HB ILE 52 21.466 32.414 -3.458 360 HG12 ILE 52 HG12 ILE 52 21.778 32.910 -1.102 361 HG13 ILE 52 HG13 ILE 52 20.884 34.224 -1.859 362 HG21 ILE 52 HG21 ILE 52 18.497 32.565 -2.969 363 HG22 ILE 52 HG22 ILE 52 19.441 33.841 -3.736 364 HG23 ILE 52 HG23 ILE 52 19.317 32.257 -4.500 365 HD11 ILE 52 HD11 ILE 52 19.596 33.997 -0.032 366 HD12 ILE 52 HD12 ILE 52 18.839 32.726 -0.993 367 HD13 ILE 52 HD13 ILE 52 20.054 32.313 0.217 368 H ILE 53 H ILE 53 18.210 30.172 -3.304 369 HA ILE 53 HA ILE 53 19.060 28.132 -5.109 370 HB ILE 53 HB ILE 53 16.386 29.518 -4.881 371 HG12 ILE 53 HG12 ILE 53 17.125 28.292 -2.847 372 HG13 ILE 53 HG13 ILE 53 15.697 27.583 -3.593 373 HG21 ILE 53 HG21 ILE 53 15.519 27.552 -6.098 374 HG22 ILE 53 HG22 ILE 53 16.628 28.521 -7.066 375 HG23 ILE 53 HG23 ILE 53 17.177 27.007 -6.349 376 HD11 ILE 53 HD11 ILE 53 16.724 25.643 -3.939 377 HD12 ILE 53 HD12 ILE 53 18.176 26.423 -4.569 378 HD13 ILE 53 HD13 ILE 53 17.957 26.239 -2.828 379 H GLU 54 H GLU 54 19.976 28.461 -7.016 380 HA GLU 54 HA GLU 54 19.396 30.957 -8.458 381 HB2 GLU 54 HB2 GLU 54 21.724 30.789 -8.051 382 HB3 GLU 54 HB3 GLU 54 21.760 29.092 -8.509 383 HG2 GLU 54 HG2 GLU 54 22.757 30.639 -10.180 384 HG3 GLU 54 HG3 GLU 54 21.462 29.620 -10.807 385 H ASP 55 H ASP 55 19.193 27.505 -8.614 386 HA ASP 55 HA ASP 55 17.781 27.733 -11.170 387 HB2 ASP 55 HB2 ASP 55 20.300 26.899 -11.279 388 HB3 ASP 55 HB3 ASP 55 19.566 25.371 -10.798 389 H ALA 56 H ALA 56 16.148 26.224 -11.485 390 HA ALA 56 HA ALA 56 15.691 24.229 -9.398 391 HB1 ALA 56 HB1 ALA 56 13.656 25.014 -8.690 392 HB2 ALA 56 HB2 ALA 56 14.509 26.532 -8.976 393 HB3 ALA 56 HB3 ALA 56 13.367 25.923 -10.174 394 H ARG 57 H ARG 57 15.319 22.362 -10.379 395 HA ARG 57 HA ARG 57 14.009 22.393 -13.017 396 HB2 ARG 57 HB2 ARG 57 16.340 20.977 -11.982 397 HB3 ARG 57 HB3 ARG 57 15.176 19.896 -12.736 398 HG2 ARG 57 HG2 ARG 57 16.271 22.366 -14.059 399 HG3 ARG 57 HG3 ARG 57 16.950 20.749 -14.261 400 HD2 ARG 57 HD2 ARG 57 15.554 20.720 -16.043 401 HD3 ARG 57 HD3 ARG 57 14.391 20.213 -14.820 402 HE ARG 57 HE ARG 57 13.294 22.203 -15.089 403 HH11 ARG 57 HH11 ARG 57 16.462 22.445 -16.510 404 HH12 ARG 57 HH12 ARG 57 16.163 23.991 -17.233 405 HH21 ARG 57 HH21 ARG 57 12.887 24.238 -16.036 406 HH22 ARG 57 HH22 ARG 57 14.129 25.011 -16.961 407 H PHE 58 H PHE 58 12.974 20.125 -13.465 408 HA PHE 58 HA PHE 58 11.829 18.768 -11.227 409 HB2 PHE 58 HB2 PHE 58 9.494 19.399 -11.611 410 HB3 PHE 58 HB3 PHE 58 10.459 20.808 -11.183 411 HD1 PHE 58 HD1 PHE 58 11.187 22.377 -13.000 412 HD2 PHE 58 HD2 PHE 58 8.312 19.304 -13.633 413 HE1 PHE 58 HE1 PHE 58 10.406 23.531 -15.028 414 HE2 PHE 58 HE2 PHE 58 7.527 20.451 -15.663 415 HZ PHE 58 HZ PHE 58 8.574 22.567 -16.363 416 H LYS 59 H LYS 59 10.687 16.897 -11.821 417 HA LYS 59 HA LYS 59 10.799 16.245 -14.694 418 HB2 LYS 59 HB2 LYS 59 11.361 14.452 -12.327 419 HB3 LYS 59 HB3 LYS 59 11.212 13.883 -13.984 420 HG2 LYS 59 HG2 LYS 59 13.224 14.752 -14.613 421 HG3 LYS 59 HG3 LYS 59 13.160 16.052 -13.421 422 HD2 LYS 59 HD2 LYS 59 13.234 13.774 -11.870 423 HD3 LYS 59 HD3 LYS 59 14.304 13.380 -13.217 424 HE2 LYS 59 HE2 LYS 59 15.878 14.501 -12.098 425 HE3 LYS 59 HE3 LYS 59 15.020 15.961 -12.585 426 HZ1 LYS 59 HZ1 LYS 59 15.456 15.042 -10.009 427 HZ2 LYS 59 HZ2 LYS 59 13.801 14.846 -10.295 428 HZ3 LYS 59 HZ3 LYS 59 14.517 16.367 -10.481 429 H THR 60 H THR 60 9.184 14.829 -15.500 430 HA THR 60 HA THR 60 6.636 15.155 -14.166 431 HB THR 60 HB THR 60 7.193 13.736 -16.775 432 HG1 THR 60 HG1 THR 60 7.895 15.917 -16.863 433 HG21 THR 60 HG21 THR 60 4.848 14.187 -17.248 434 HG22 THR 60 HG22 THR 60 4.673 15.002 -15.694 435 HG23 THR 60 HG23 THR 60 5.001 13.270 -15.750 436 H TYR 61 H TYR 61 5.726 13.696 -12.884 437 HA TYR 61 HA TYR 61 5.993 10.872 -13.362 438 HB2 TYR 61 HB2 TYR 61 7.948 11.975 -11.772 439 HB3 TYR 61 HB3 TYR 61 6.760 11.439 -10.589 440 HD1 TYR 61 HD1 TYR 61 5.797 8.971 -11.172 441 HD2 TYR 61 HD2 TYR 61 9.619 10.479 -12.278 442 HE1 TYR 61 HE1 TYR 61 6.645 6.669 -11.358 443 HE2 TYR 61 HE2 TYR 61 10.477 8.182 -12.469 444 HH TYR 61 HH TYR 61 8.539 5.411 -11.508 445 H GLY 62 H GLY 62 3.874 10.435 -13.302 446 HA2 GLY 62 HA2 GLY 62 2.228 9.788 -11.483 447 HA3 GLY 62 HA3 GLY 62 2.310 11.484 -11.028 448 H CYS 63 H CYS 63 -0.073 10.149 -11.705 449 HA CYS 63 HA CYS 63 -0.732 11.328 -14.320 450 HB2 CYS 63 HB2 CYS 63 -1.602 8.870 -12.927 451 HB3 CYS 63 HB3 CYS 63 -2.870 9.754 -13.767 452 HG CYS 63 HG CYS 63 -0.489 9.668 -15.898 453 H GLY 64 H GLY 64 -2.815 12.370 -14.545 454 HA2 GLY 64 HA2 GLY 64 -4.660 12.945 -12.611 455 HA3 GLY 64 HA3 GLY 64 -3.367 14.100 -12.321 456 H SER 65 H SER 65 -3.780 16.013 -13.178 457 HA SER 65 HA SER 65 -5.137 16.112 -15.792 458 HB2 SER 65 HB2 SER 65 -6.254 16.997 -13.473 459 HB3 SER 65 HB3 SER 65 -5.448 18.463 -14.032 460 HG SER 65 HG SER 65 -7.546 17.023 -15.191 461 H ALA 66 H ALA 66 -2.977 17.842 -13.569 462 HA ALA 66 HA ALA 66 -1.233 18.559 -15.745 463 HB1 ALA 66 HB1 ALA 66 -2.515 20.811 -14.209 464 HB2 ALA 66 HB2 ALA 66 -1.401 20.931 -15.572 465 HB3 ALA 66 HB3 ALA 66 -3.030 20.301 -15.818 466 H ILE 67 H ILE 67 0.312 20.467 -14.617 467 HA ILE 67 HA ILE 67 1.071 19.404 -11.981 468 HB ILE 67 HB ILE 67 3.445 19.592 -12.594 469 HG12 ILE 67 HG12 ILE 67 2.822 21.263 -14.514 470 HG13 ILE 67 HG13 ILE 67 4.210 20.195 -14.699 471 HG21 ILE 67 HG21 ILE 67 1.634 17.760 -14.106 472 HG22 ILE 67 HG22 ILE 67 3.376 17.692 -14.368 473 HG23 ILE 67 HG23 ILE 67 2.714 17.407 -12.758 474 HD11 ILE 67 HD11 ILE 67 2.353 20.508 -16.578 475 HD12 ILE 67 HD12 ILE 67 3.236 18.998 -16.346 476 HD13 ILE 67 HD13 ILE 67 1.615 19.183 -15.678 477 H ALA 68 H ALA 68 -0.446 21.689 -12.313 478 HA ALA 68 HA ALA 68 1.045 24.077 -12.480 479 HB1 ALA 68 HB1 ALA 68 -1.372 24.047 -10.775 480 HB2 ALA 68 HB2 ALA 68 -0.913 25.144 -12.077 481 HB3 ALA 68 HB3 ALA 68 -1.573 23.554 -12.456 482 H SER 69 H SER 69 -0.058 22.183 -9.679 483 HA SER 69 HA SER 69 0.905 23.831 -7.661 484 HB2 SER 69 HB2 SER 69 0.946 21.770 -6.257 485 HB3 SER 69 HB3 SER 69 -0.554 21.957 -7.165 486 HG SER 69 HG SER 69 0.083 20.376 -8.553 487 H SER 70 H SER 70 2.589 21.591 -9.733 488 HA SER 70 HA SER 70 5.023 21.683 -8.165 489 HB2 SER 70 HB2 SER 70 4.321 19.637 -9.427 490 HB3 SER 70 HB3 SER 70 4.599 20.521 -10.928 491 HG SER 70 HG SER 70 6.480 19.491 -10.562 492 H SER 71 H SER 71 3.904 22.861 -11.322 493 HA SER 71 HA SER 71 6.308 24.135 -12.055 494 HB2 SER 71 HB2 SER 71 3.488 24.842 -12.901 495 HB3 SER 71 HB3 SER 71 4.972 25.298 -13.738 496 HG SER 71 HG SER 71 4.172 22.617 -13.271 497 H LEU 72 H LEU 72 3.798 25.015 -9.870 498 HA LEU 72 HA LEU 72 4.400 27.836 -9.874 499 HB2 LEU 72 HB2 LEU 72 2.172 27.346 -9.370 500 HB3 LEU 72 HB3 LEU 72 2.616 26.060 -8.249 501 HG LEU 72 HG LEU 72 3.535 28.722 -7.438 502 HD11 LEU 72 HD11 LEU 72 0.972 28.932 -6.586 503 HD12 LEU 72 HD12 LEU 72 0.738 28.280 -8.207 504 HD13 LEU 72 HD13 LEU 72 1.634 29.782 -7.982 505 HD21 LEU 72 HD21 LEU 72 2.100 27.759 -5.396 506 HD22 LEU 72 HD22 LEU 72 3.759 27.260 -5.724 507 HD23 LEU 72 HD23 LEU 72 2.412 26.254 -6.260 508 H VAL 73 H VAL 73 4.841 25.145 -7.584 509 HA VAL 73 HA VAL 73 6.232 26.592 -5.626 510 HB VAL 73 HB VAL 73 7.099 24.384 -4.872 511 HG11 VAL 73 HG11 VAL 73 4.363 25.233 -5.094 512 HG12 VAL 73 HG12 VAL 73 4.460 23.471 -5.083 513 HG13 VAL 73 HG13 VAL 73 5.172 24.402 -3.765 514 HG21 VAL 73 HG21 VAL 73 5.634 23.357 -7.301 515 HG22 VAL 73 HG22 VAL 73 7.379 23.331 -7.049 516 HG23 VAL 73 HG23 VAL 73 6.326 22.358 -6.023 517 H THR 74 H THR 74 7.261 25.227 -8.649 518 HA THR 74 HA THR 74 10.057 25.207 -8.099 519 HB THR 74 HB THR 74 10.107 25.304 -10.741 520 HG1 THR 74 HG1 THR 74 8.177 25.367 -11.587 521 HG21 THR 74 HG21 THR 74 8.843 22.836 -9.641 522 HG22 THR 74 HG22 THR 74 10.412 23.342 -9.013 523 HG23 THR 74 HG23 THR 74 10.216 23.006 -10.733 524 H GLU 75 H GLU 75 7.940 27.450 -9.877 525 HA GLU 75 HA GLU 75 9.964 29.301 -10.534 526 HB2 GLU 75 HB2 GLU 75 7.008 29.827 -10.182 527 HB3 GLU 75 HB3 GLU 75 8.146 30.835 -11.065 528 HG2 GLU 75 HG2 GLU 75 7.798 27.986 -11.861 529 HG3 GLU 75 HG3 GLU 75 6.581 29.174 -12.325 530 H TRP 76 H TRP 76 8.281 28.672 -7.614 531 HA TRP 76 HA TRP 76 8.680 31.279 -6.459 532 HB2 TRP 76 HB2 TRP 76 7.310 28.824 -5.739 533 HB3 TRP 76 HB3 TRP 76 8.220 29.475 -4.377 534 HD1 TRP 76 HD1 TRP 76 4.878 29.511 -5.287 535 HE1 TRP 76 HE1 TRP 76 3.664 31.719 -4.763 536 HE3 TRP 76 HE3 TRP 76 8.944 32.561 -4.732 537 HZ2 TRP 76 HZ2 TRP 76 4.340 34.399 -4.191 538 HZ3 TRP 76 HZ3 TRP 76 8.574 34.934 -4.197 539 HH2 TRP 76 HH2 TRP 76 6.319 35.832 -3.933 540 H VAL 77 H VAL 77 10.144 28.066 -6.065 541 HA VAL 77 HA VAL 77 12.049 28.868 -4.126 542 HB VAL 77 HB VAL 77 13.224 26.752 -4.714 543 HG11 VAL 77 HG11 VAL 77 10.568 27.078 -3.670 544 HG12 VAL 77 HG12 VAL 77 10.728 25.505 -4.454 545 HG13 VAL 77 HG13 VAL 77 11.840 25.966 -3.164 546 HG21 VAL 77 HG21 VAL 77 10.987 26.412 -6.709 547 HG22 VAL 77 HG22 VAL 77 12.667 26.762 -7.117 548 HG23 VAL 77 HG23 VAL 77 12.249 25.238 -6.335 549 H LYS 78 H LYS 78 12.003 28.901 -7.617 550 HA LYS 78 HA LYS 78 14.741 29.151 -8.132 551 HB2 LYS 78 HB2 LYS 78 12.244 29.611 -9.579 552 HB3 LYS 78 HB3 LYS 78 13.529 30.707 -10.070 553 HG2 LYS 78 HG2 LYS 78 14.781 28.252 -9.979 554 HG3 LYS 78 HG3 LYS 78 13.179 27.882 -10.622 555 HD2 LYS 78 HD2 LYS 78 14.835 30.145 -11.700 556 HD3 LYS 78 HD3 LYS 78 15.019 28.493 -12.294 557 HE2 LYS 78 HE2 LYS 78 13.127 28.601 -13.483 558 HE3 LYS 78 HE3 LYS 78 12.240 29.357 -12.161 559 HZ1 LYS 78 HZ1 LYS 78 13.901 31.325 -13.011 560 HZ2 LYS 78 HZ2 LYS 78 12.270 31.169 -13.431 561 HZ3 LYS 78 HZ3 LYS 78 13.469 30.560 -14.457 562 H GLY 79 H GLY 79 15.842 30.532 -6.803 563 HA2 GLY 79 HA2 GLY 79 16.801 32.761 -6.853 564 HA3 GLY 79 HA3 GLY 79 15.182 33.391 -7.122 565 H LYS 80 H LYS 80 14.475 31.179 -4.983 566 HA LYS 80 HA LYS 80 14.593 33.045 -2.761 567 HB2 LYS 80 HB2 LYS 80 12.737 31.158 -3.604 568 HB3 LYS 80 HB3 LYS 80 13.456 30.427 -2.175 569 HG2 LYS 80 HG2 LYS 80 11.845 31.594 -1.126 570 HG3 LYS 80 HG3 LYS 80 13.026 32.901 -1.238 571 HD2 LYS 80 HD2 LYS 80 11.794 34.050 -2.733 572 HD3 LYS 80 HD3 LYS 80 11.305 32.591 -3.599 573 HE2 LYS 80 HE2 LYS 80 10.184 33.340 -0.910 574 HE3 LYS 80 HE3 LYS 80 9.468 33.890 -2.424 575 HZ1 LYS 80 HZ1 LYS 80 9.634 31.301 -2.917 576 HZ2 LYS 80 HZ2 LYS 80 8.290 31.999 -2.163 577 HZ3 LYS 80 HZ3 LYS 80 9.478 31.233 -1.234 578 H SER 81 H SER 81 15.238 32.311 -0.601 579 HA SER 81 HA SER 81 17.783 30.959 -0.722 580 HB2 SER 81 HB2 SER 81 18.038 31.617 1.596 581 HB3 SER 81 HB3 SER 81 17.402 32.987 0.685 582 HG SER 81 HG SER 81 16.209 32.786 2.556 583 H LEU 82 H LEU 82 18.005 29.653 1.646 584 HA LEU 82 HA LEU 82 16.599 27.205 1.094 585 HB2 LEU 82 HB2 LEU 82 18.409 27.838 3.417 586 HB3 LEU 82 HB3 LEU 82 17.949 26.240 2.831 587 HG LEU 82 HG LEU 82 19.536 28.169 1.156 588 HD11 LEU 82 HD11 LEU 82 20.603 26.041 3.005 589 HD12 LEU 82 HD12 LEU 82 20.747 27.781 3.248 590 HD13 LEU 82 HD13 LEU 82 21.548 27.014 1.877 591 HD21 LEU 82 HD21 LEU 82 20.202 26.116 -0.003 592 HD22 LEU 82 HD22 LEU 82 18.453 26.341 -0.029 593 HD23 LEU 82 HD23 LEU 82 19.176 25.175 1.080 594 H ASP 83 H ASP 83 16.605 29.627 3.672 595 HA ASP 83 HA ASP 83 14.697 28.260 5.295 596 HB2 ASP 83 HB2 ASP 83 15.949 30.972 5.298 597 HB3 ASP 83 HB3 ASP 83 14.494 30.716 6.258 598 H GLU 84 H GLU 84 14.510 30.900 2.943 599 HA GLU 84 HA GLU 84 11.847 31.612 3.283 600 HB2 GLU 84 HB2 GLU 84 13.677 31.672 0.899 601 HB3 GLU 84 HB3 GLU 84 12.005 32.199 0.768 602 HG2 GLU 84 HG2 GLU 84 13.212 33.428 3.048 603 HG3 GLU 84 HG3 GLU 84 14.229 33.680 1.630 604 H ALA 85 H ALA 85 13.160 29.358 0.847 605 HA ALA 85 HA ALA 85 10.730 28.461 -0.162 606 HB1 ALA 85 HB1 ALA 85 12.730 27.957 -1.342 607 HB2 ALA 85 HB2 ALA 85 13.396 27.076 0.034 608 HB3 ALA 85 HB3 ALA 85 12.019 26.419 -0.851 609 H GLN 86 H GLN 86 12.650 27.201 2.540 610 HA GLN 86 HA GLN 86 10.896 25.026 3.089 611 HB2 GLN 86 HB2 GLN 86 13.421 25.585 3.825 612 HB3 GLN 86 HB3 GLN 86 12.577 26.118 5.273 613 HG2 GLN 86 HG2 GLN 86 11.471 23.633 4.628 614 HG3 GLN 86 HG3 GLN 86 13.211 23.460 4.403 615 HE21 GLN 86 HE21 GLN 86 10.956 24.958 6.702 616 HE22 GLN 86 HE22 GLN 86 11.785 24.428 8.122 617 H ALA 87 H ALA 87 10.659 28.343 3.627 618 HA ALA 87 HA ALA 87 9.066 28.165 6.040 619 HB1 ALA 87 HB1 ALA 87 8.937 30.549 5.949 620 HB2 ALA 87 HB2 ALA 87 10.595 30.080 5.571 621 HB3 ALA 87 HB3 ALA 87 9.500 30.569 4.277 622 H ILE 88 H ILE 88 8.568 28.105 2.640 623 HA ILE 88 HA ILE 88 6.051 29.175 2.310 624 HB ILE 88 HB ILE 88 7.157 26.690 0.998 625 HG12 ILE 88 HG12 ILE 88 7.093 29.517 -0.062 626 HG13 ILE 88 HG13 ILE 88 8.478 28.845 0.792 627 HG21 ILE 88 HG21 ILE 88 5.550 27.280 -0.827 628 HG22 ILE 88 HG22 ILE 88 4.798 26.719 0.665 629 HG23 ILE 88 HG23 ILE 88 4.815 28.439 0.279 630 HD11 ILE 88 HD11 ILE 88 8.847 27.238 -0.913 631 HD12 ILE 88 HD12 ILE 88 7.317 27.630 -1.697 632 HD13 ILE 88 HD13 ILE 88 8.634 28.802 -1.697 633 H LYS 89 H LYS 89 3.967 28.486 2.589 634 HA LYS 89 HA LYS 89 3.619 26.043 4.200 635 HB2 LYS 89 HB2 LYS 89 2.213 28.698 4.268 636 HB3 LYS 89 HB3 LYS 89 1.441 27.253 4.907 637 HG2 LYS 89 HG2 LYS 89 2.415 27.890 6.823 638 HG3 LYS 89 HG3 LYS 89 3.838 27.103 6.134 639 HD2 LYS 89 HD2 LYS 89 4.481 29.320 5.160 640 HD3 LYS 89 HD3 LYS 89 3.158 30.041 6.080 641 HE2 LYS 89 HE2 LYS 89 5.193 28.353 7.473 642 HE3 LYS 89 HE3 LYS 89 5.580 30.022 7.054 643 HZ1 LYS 89 HZ1 LYS 89 3.256 30.425 8.188 644 HZ2 LYS 89 HZ2 LYS 89 4.678 30.331 9.099 645 HZ3 LYS 89 HZ3 LYS 89 3.651 28.991 8.995 646 H ASN 90 H ASN 90 2.216 24.518 3.526 647 HA ASN 90 HA ASN 90 1.433 24.271 0.910 648 HB2 ASN 90 HB2 ASN 90 0.153 22.408 1.560 649 HB3 ASN 90 HB3 ASN 90 1.402 22.521 2.796 650 HD21 ASN 90 HD21 ASN 90 -1.964 22.884 2.078 651 HD22 ASN 90 HD22 ASN 90 -2.509 23.030 3.711 652 H THR 91 H THR 91 -0.276 25.837 3.547 653 HA THR 91 HA THR 91 -2.808 26.119 2.510 654 HB THR 91 HB THR 91 -2.233 26.897 4.750 655 HG1 THR 91 HG1 THR 91 -3.607 28.618 4.708 656 HG21 THR 91 HG21 THR 91 -1.130 29.471 3.836 657 HG22 THR 91 HG22 THR 91 -0.067 28.079 3.629 658 HG23 THR 91 HG23 THR 91 -0.694 28.480 5.228 659 H ASP 92 H ASP 92 0.105 27.905 1.684 660 HA ASP 92 HA ASP 92 -1.233 29.848 0.066 661 HB2 ASP 92 HB2 ASP 92 1.531 29.214 0.821 662 HB3 ASP 92 HB3 ASP 92 1.368 29.836 -0.819 663 H ILE 93 H ILE 93 0.407 26.786 -0.534 664 HA ILE 93 HA ILE 93 0.288 26.970 -3.377 665 HB ILE 93 HB ILE 93 0.699 24.597 -1.559 666 HG12 ILE 93 HG12 ILE 93 3.045 24.854 -2.697 667 HG13 ILE 93 HG13 ILE 93 2.502 26.498 -3.018 668 HG21 ILE 93 HG21 ILE 93 0.151 23.375 -3.354 669 HG22 ILE 93 HG22 ILE 93 0.269 24.752 -4.448 670 HG23 ILE 93 HG23 ILE 93 1.723 23.871 -3.980 671 HD11 ILE 93 HD11 ILE 93 2.039 25.755 -0.269 672 HD12 ILE 93 HD12 ILE 93 3.734 25.568 -0.722 673 HD13 ILE 93 HD13 ILE 93 2.929 27.123 -0.937 674 H ALA 94 H ALA 94 -1.849 25.761 -0.894 675 HA ALA 94 HA ALA 94 -3.551 24.263 -2.618 676 HB1 ALA 94 HB1 ALA 94 -3.863 23.551 -0.486 677 HB2 ALA 94 HB2 ALA 94 -3.623 25.157 0.204 678 HB3 ALA 94 HB3 ALA 94 -5.162 24.743 -0.552 679 H GLU 95 H GLU 95 -3.732 27.527 -1.228 680 HA GLU 95 HA GLU 95 -6.203 28.130 -2.564 681 HB2 GLU 95 HB2 GLU 95 -5.852 30.412 -1.685 682 HB3 GLU 95 HB3 GLU 95 -5.714 29.184 -0.435 683 HG2 GLU 95 HG2 GLU 95 -3.779 30.086 0.132 684 HG3 GLU 95 HG3 GLU 95 -3.126 29.515 -1.402 685 H GLU 96 H GLU 96 -2.846 28.360 -3.312 686 HA GLU 96 HA GLU 96 -2.868 30.445 -5.184 687 HB2 GLU 96 HB2 GLU 96 -1.082 28.224 -4.480 688 HB3 GLU 96 HB3 GLU 96 -0.969 28.725 -6.161 689 HG2 GLU 96 HG2 GLU 96 -0.865 30.759 -3.978 690 HG3 GLU 96 HG3 GLU 96 0.566 29.817 -4.392 691 H LEU 97 H LEU 97 -3.350 26.953 -5.617 692 HA LEU 97 HA LEU 97 -4.224 27.458 -8.375 693 HB2 LEU 97 HB2 LEU 97 -3.171 25.052 -6.946 694 HB3 LEU 97 HB3 LEU 97 -4.136 24.859 -8.408 695 HG LEU 97 HG LEU 97 -1.778 24.744 -8.935 696 HD11 LEU 97 HD11 LEU 97 -1.690 26.386 -10.685 697 HD12 LEU 97 HD12 LEU 97 -2.904 27.376 -9.875 698 HD13 LEU 97 HD13 LEU 97 -3.348 25.802 -10.535 699 HD21 LEU 97 HD21 LEU 97 -1.500 27.571 -7.946 700 HD22 LEU 97 HD22 LEU 97 -0.229 26.471 -8.479 701 HD23 LEU 97 HD23 LEU 97 -1.083 26.166 -6.966 702 H GLU 98 H GLU 98 -5.404 26.820 -5.273 703 HA GLU 98 HA GLU 98 -7.466 26.344 -4.439 704 HB2 GLU 98 HB2 GLU 98 -8.059 27.475 -7.135 705 HB3 GLU 98 HB3 GLU 98 -9.374 26.727 -6.239 706 HG2 GLU 98 HG2 GLU 98 -8.446 28.279 -4.306 707 HG3 GLU 98 HG3 GLU 98 -7.871 29.218 -5.683 708 H LEU 99 H LEU 99 -6.645 24.093 -4.410 709 HA LEU 99 HA LEU 99 -7.523 22.275 -6.449 710 HB2 LEU 99 HB2 LEU 99 -5.805 22.207 -4.164 711 HB3 LEU 99 HB3 LEU 99 -6.943 20.865 -4.075 712 HG LEU 99 HG LEU 99 -6.203 20.319 -6.465 713 HD11 LEU 99 HD11 LEU 99 -5.081 22.326 -7.069 714 HD12 LEU 99 HD12 LEU 99 -3.857 21.064 -6.936 715 HD13 LEU 99 HD13 LEU 99 -4.044 22.250 -5.645 716 HD21 LEU 99 HD21 LEU 99 -5.060 18.696 -5.469 717 HD22 LEU 99 HD22 LEU 99 -5.239 19.576 -3.951 718 HD23 LEU 99 HD23 LEU 99 -3.806 19.823 -4.949 719 HA PRO 100 HA PRO 100 -11.611 21.528 -4.993 720 HB2 PRO 100 HB2 PRO 100 -12.010 19.081 -6.099 721 HB3 PRO 100 HB3 PRO 100 -12.003 20.573 -7.046 722 HG2 PRO 100 HG2 PRO 100 -9.822 18.557 -6.672 723 HG3 PRO 100 HG3 PRO 100 -10.340 19.383 -8.153 724 HD2 PRO 100 HD2 PRO 100 -8.165 20.157 -6.739 725 HD3 PRO 100 HD3 PRO 100 -9.177 21.305 -7.639 726 HA PRO 101 HA PRO 101 -11.338 19.109 -1.322 727 HB2 PRO 101 HB2 PRO 101 -13.956 18.488 -0.962 728 HB3 PRO 101 HB3 PRO 101 -13.305 20.107 -0.680 729 HG2 PRO 101 HG2 PRO 101 -14.774 19.045 -3.062 730 HG3 PRO 101 HG3 PRO 101 -14.962 20.602 -2.235 731 HD2 PRO 101 HD2 PRO 101 -13.563 20.336 -4.538 732 HD3 PRO 101 HD3 PRO 101 -13.136 21.528 -3.293 733 H VAL 102 H VAL 102 -10.298 17.518 -3.083 734 HA VAL 102 HA VAL 102 -11.731 14.975 -2.752 735 HB VAL 102 HB VAL 102 -10.957 14.257 -5.000 736 HG11 VAL 102 HG11 VAL 102 -13.202 15.575 -4.354 737 HG12 VAL 102 HG12 VAL 102 -12.561 16.668 -5.582 738 HG13 VAL 102 HG13 VAL 102 -12.865 14.976 -5.978 739 HG21 VAL 102 HG21 VAL 102 -9.111 15.756 -5.340 740 HG22 VAL 102 HG22 VAL 102 -10.300 16.032 -6.614 741 HG23 VAL 102 HG23 VAL 102 -10.179 17.158 -5.262 742 H LYS 103 H LYS 103 -8.690 16.660 -3.296 743 HA LYS 103 HA LYS 103 -7.294 14.672 -1.726 744 HB2 LYS 103 HB2 LYS 103 -7.317 14.037 -4.279 745 HB3 LYS 103 HB3 LYS 103 -6.077 15.279 -4.391 746 HG2 LYS 103 HG2 LYS 103 -4.543 13.861 -3.670 747 HG3 LYS 103 HG3 LYS 103 -5.470 13.556 -2.199 748 HD2 LYS 103 HD2 LYS 103 -5.963 12.191 -4.844 749 HD3 LYS 103 HD3 LYS 103 -5.001 11.509 -3.532 750 HE2 LYS 103 HE2 LYS 103 -7.078 11.863 -2.078 751 HE3 LYS 103 HE3 LYS 103 -7.946 12.092 -3.595 752 HZ1 LYS 103 HZ1 LYS 103 -6.590 9.664 -2.602 753 HZ2 LYS 103 HZ2 LYS 103 -6.923 9.865 -4.248 754 HZ3 LYS 103 HZ3 LYS 103 -8.189 9.844 -3.125 755 H ILE 104 H ILE 104 -7.708 17.107 -0.843 756 HA ILE 104 HA ILE 104 -6.129 19.230 -1.574 757 HB ILE 104 HB ILE 104 -6.752 18.385 1.259 758 HG12 ILE 104 HG12 ILE 104 -8.771 18.585 -0.112 759 HG13 ILE 104 HG13 ILE 104 -8.680 19.902 1.053 760 HG21 ILE 104 HG21 ILE 104 -5.292 20.055 1.683 761 HG22 ILE 104 HG22 ILE 104 -5.478 20.770 0.083 762 HG23 ILE 104 HG23 ILE 104 -6.689 21.070 1.329 763 HD11 ILE 104 HD11 ILE 104 -9.426 20.761 -1.050 764 HD12 ILE 104 HD12 ILE 104 -7.794 21.355 -0.745 765 HD13 ILE 104 HD13 ILE 104 -8.053 20.035 -1.885 766 H HIS 105 H HIS 105 -5.162 16.252 -0.096 767 HA HIS 105 HA HIS 105 -2.767 16.943 1.117 768 HB2 HIS 105 HB2 HIS 105 -3.837 14.466 -0.141 769 HB3 HIS 105 HB3 HIS 105 -2.110 14.524 0.197 770 HD1 HIS 105 HD1 HIS 105 -1.989 15.827 2.896 771 HD2 HIS 105 HD2 HIS 105 -4.891 13.029 1.889 772 HE1 HIS 105 HE1 HIS 105 -2.793 14.876 5.081 773 H CYS 106 H CYS 106 -3.584 16.857 -2.230 774 HA CYS 106 HA CYS 106 -1.019 16.523 -3.344 775 HB2 CYS 106 HB2 CYS 106 -3.667 17.389 -4.277 776 HB3 CYS 106 HB3 CYS 106 -2.327 18.111 -5.158 777 HG CYS 106 HG CYS 106 -3.476 15.734 -6.382 778 H SER 107 H SER 107 -2.470 19.155 -1.704 779 HA SER 107 HA SER 107 -0.751 21.174 -2.859 780 HB2 SER 107 HB2 SER 107 -2.144 22.674 -1.890 781 HB3 SER 107 HB3 SER 107 -3.201 21.284 -1.648 782 HG SER 107 HG SER 107 -3.022 21.876 0.373 783 H ILE 108 H ILE 108 -0.946 19.280 0.100 784 HA ILE 108 HA ILE 108 1.132 20.650 1.476 785 HB ILE 108 HB ILE 108 -0.055 17.907 1.874 786 HG12 ILE 108 HG12 ILE 108 -0.834 19.164 4.022 787 HG13 ILE 108 HG13 ILE 108 -0.468 20.618 3.099 788 HG21 ILE 108 HG21 ILE 108 2.187 19.285 3.279 789 HG22 ILE 108 HG22 ILE 108 1.101 18.241 4.193 790 HG23 ILE 108 HG23 ILE 108 2.013 17.588 2.832 791 HD11 ILE 108 HD11 ILE 108 -2.347 20.451 1.934 792 HD12 ILE 108 HD12 ILE 108 -2.073 18.743 1.587 793 HD13 ILE 108 HD13 ILE 108 -2.843 19.224 3.099 794 H LEU 109 H LEU 109 1.058 18.091 -0.872 795 HA LEU 109 HA LEU 109 3.703 17.124 -0.372 796 HB2 LEU 109 HB2 LEU 109 1.710 16.764 -2.579 797 HB3 LEU 109 HB3 LEU 109 3.357 16.157 -2.744 798 HG LEU 109 HG LEU 109 2.036 15.326 -0.268 799 HD11 LEU 109 HD11 LEU 109 0.249 15.418 -2.210 800 HD12 LEU 109 HD12 LEU 109 0.322 14.065 -1.081 801 HD13 LEU 109 HD13 LEU 109 1.042 13.915 -2.684 802 HD21 LEU 109 HD21 LEU 109 3.580 14.008 -2.487 803 HD22 LEU 109 HD22 LEU 109 2.875 13.102 -1.148 804 HD23 LEU 109 HD23 LEU 109 4.100 14.332 -0.833 805 H ALA 110 H ALA 110 2.318 19.681 -2.266 806 HA ALA 110 HA ALA 110 4.441 20.079 -4.084 807 HB1 ALA 110 HB1 ALA 110 3.230 22.572 -3.548 808 HB2 ALA 110 HB2 ALA 110 2.942 21.488 -4.910 809 HB3 ALA 110 HB3 ALA 110 1.967 21.346 -3.448 810 H GLU 111 H GLU 111 3.743 21.476 -0.898 811 HA GLU 111 HA GLU 111 6.136 23.085 -0.927 812 HB2 GLU 111 HB2 GLU 111 5.477 23.767 1.311 813 HB3 GLU 111 HB3 GLU 111 4.097 23.850 0.224 814 HG2 GLU 111 HG2 GLU 111 2.929 22.487 1.511 815 HG3 GLU 111 HG3 GLU 111 4.202 21.269 1.457 816 H ASP 112 H ASP 112 5.245 19.913 0.063 817 HA ASP 112 HA ASP 112 7.417 19.571 1.928 818 HB2 ASP 112 HB2 ASP 112 5.352 17.730 0.745 819 HB3 ASP 112 HB3 ASP 112 6.697 17.099 1.692 820 H ALA 113 H ALA 113 6.892 19.141 -1.468 821 HA ALA 113 HA ALA 113 9.078 17.351 -1.919 822 HB1 ALA 113 HB1 ALA 113 7.956 19.124 -4.048 823 HB2 ALA 113 HB2 ALA 113 8.539 17.463 -4.164 824 HB3 ALA 113 HB3 ALA 113 6.990 17.803 -3.393 825 H ILE 114 H ILE 114 8.604 20.850 -2.276 826 HA ILE 114 HA ILE 114 11.139 21.430 -3.347 827 HB ILE 114 HB ILE 114 10.737 23.748 -2.607 828 HG12 ILE 114 HG12 ILE 114 8.318 22.537 -1.251 829 HG13 ILE 114 HG13 ILE 114 9.680 23.323 -0.460 830 HG21 ILE 114 HG21 ILE 114 8.092 22.911 -3.639 831 HG22 ILE 114 HG22 ILE 114 9.206 24.141 -4.234 832 HG23 ILE 114 HG23 ILE 114 9.508 22.438 -4.577 833 HD11 ILE 114 HD11 ILE 114 9.027 25.407 -1.748 834 HD12 ILE 114 HD12 ILE 114 7.523 24.566 -2.127 835 HD13 ILE 114 HD13 ILE 114 7.950 24.896 -0.449 836 H LYS 115 H LYS 115 9.988 21.128 -0.036 837 HA LYS 115 HA LYS 115 12.334 22.143 1.205 838 HB2 LYS 115 HB2 LYS 115 10.142 22.020 2.340 839 HB3 LYS 115 HB3 LYS 115 10.242 20.264 2.321 840 HG2 LYS 115 HG2 LYS 115 12.461 21.789 3.578 841 HG3 LYS 115 HG3 LYS 115 10.926 21.661 4.440 842 HD2 LYS 115 HD2 LYS 115 11.262 19.501 4.938 843 HD3 LYS 115 HD3 LYS 115 11.847 19.127 3.315 844 HE2 LYS 115 HE2 LYS 115 14.039 19.974 3.868 845 HE3 LYS 115 HE3 LYS 115 13.471 20.505 5.450 846 HZ1 LYS 115 HZ1 LYS 115 14.603 18.467 5.755 847 HZ2 LYS 115 HZ2 LYS 115 13.773 17.718 4.486 848 HZ3 LYS 115 HZ3 LYS 115 12.954 18.120 5.911 849 H ALA 116 H ALA 116 11.258 18.915 0.275 850 HA ALA 116 HA ALA 116 13.209 17.393 1.552 851 HB1 ALA 116 HB1 ALA 116 12.763 15.691 -0.176 852 HB2 ALA 116 HB2 ALA 116 11.285 16.371 0.507 853 HB3 ALA 116 HB3 ALA 116 11.840 16.887 -1.086 854 H ALA 117 H ALA 117 13.419 19.419 -1.256 855 HA ALA 117 HA ALA 117 15.889 18.292 -2.217 856 HB1 ALA 117 HB1 ALA 117 15.130 21.010 -3.072 857 HB2 ALA 117 HB2 ALA 117 15.612 19.609 -4.029 858 HB3 ALA 117 HB3 ALA 117 13.962 19.734 -3.419 859 H ILE 118 H ILE 118 14.914 20.996 -0.198 860 HA ILE 118 HA ILE 118 17.386 22.347 -0.131 861 HB ILE 118 HB ILE 118 15.227 22.260 1.981 862 HG12 ILE 118 HG12 ILE 118 15.724 24.210 -0.279 863 HG13 ILE 118 HG13 ILE 118 14.408 23.044 -0.193 864 HG21 ILE 118 HG21 ILE 118 17.335 23.047 2.894 865 HG22 ILE 118 HG22 ILE 118 17.492 24.208 1.576 866 HG23 ILE 118 HG23 ILE 118 16.191 24.381 2.754 867 HD11 ILE 118 HD11 ILE 118 14.088 24.414 2.135 868 HD12 ILE 118 HD12 ILE 118 14.678 25.670 1.046 869 HD13 ILE 118 HD13 ILE 118 13.234 24.749 0.629 870 H ALA 119 H ALA 119 16.130 19.617 1.670 871 HA ALA 119 HA ALA 119 18.163 19.606 3.671 872 HB1 ALA 119 HB1 ALA 119 17.251 17.542 4.383 873 HB2 ALA 119 HB2 ALA 119 15.889 18.530 3.852 874 HB3 ALA 119 HB3 ALA 119 16.506 17.247 2.812 875 H ASP 120 H ASP 120 17.645 17.731 0.694 876 HA ASP 120 HA ASP 120 19.834 16.047 0.838 877 HB2 ASP 120 HB2 ASP 120 17.889 16.317 -0.947 878 HB3 ASP 120 HB3 ASP 120 19.130 17.218 -1.814 879 H TYR 121 H TYR 121 19.679 19.419 -0.100 880 HA TYR 121 HA TYR 121 22.246 19.620 -1.254 881 HB2 TYR 121 HB2 TYR 121 20.684 21.369 -1.682 882 HB3 TYR 121 HB3 TYR 121 20.436 21.662 0.036 883 HD1 TYR 121 HD2 TYR 121 23.475 21.411 -2.134 884 HD2 TYR 121 HD1 TYR 121 21.238 23.735 0.641 885 HE1 TYR 121 HE2 TYR 121 25.222 23.142 -2.183 886 HE2 TYR 121 HE1 TYR 121 22.978 25.472 0.599 887 HH TYR 121 HH TYR 121 25.310 25.680 -1.725 888 H LYS 122 H LYS 122 21.117 20.549 1.999 889 HA LYS 122 HA LYS 122 23.605 21.236 3.051 890 HB2 LYS 122 HB2 LYS 122 21.329 19.997 4.602 891 HB3 LYS 122 HB3 LYS 122 22.588 21.054 5.226 892 HG2 LYS 122 HG2 LYS 122 21.671 22.805 3.607 893 HG3 LYS 122 HG3 LYS 122 20.265 21.747 3.464 894 HD2 LYS 122 HD2 LYS 122 20.208 21.810 6.031 895 HD3 LYS 122 HD3 LYS 122 21.295 23.193 5.886 896 HE2 LYS 122 HE2 LYS 122 19.389 23.886 4.108 897 HE3 LYS 122 HE3 LYS 122 18.425 22.954 5.252 898 HZ1 LYS 122 HZ1 LYS 122 18.520 25.331 5.796 899 HZ2 LYS 122 HZ2 LYS 122 20.197 25.220 5.988 900 HZ3 LYS 122 HZ3 LYS 122 19.169 24.370 7.029 901 H SER 123 H SER 123 22.240 18.144 2.382 902 HA SER 123 HA SER 123 24.005 16.690 4.146 903 HB2 SER 123 HB2 SER 123 21.596 16.062 3.163 904 HB3 SER 123 HB3 SER 123 22.593 15.302 1.923 905 HG SER 123 HG SER 123 22.660 14.822 4.718 906 H LYS 124 H LYS 124 24.072 17.893 0.926 907 HA LYS 124 HA LYS 124 26.017 16.070 -0.109 908 HB2 LYS 124 HB2 LYS 124 24.373 18.075 -1.158 909 HB3 LYS 124 HB3 LYS 124 26.013 18.659 -1.412 910 HG2 LYS 124 HG2 LYS 124 25.690 17.480 -3.336 911 HG3 LYS 124 HG3 LYS 124 26.400 16.226 -2.317 912 HD2 LYS 124 HD2 LYS 124 23.892 15.768 -1.684 913 HD3 LYS 124 HD3 LYS 124 23.578 16.572 -3.224 914 HE2 LYS 124 HE2 LYS 124 25.651 14.448 -3.170 915 HE3 LYS 124 HE3 LYS 124 23.966 13.948 -3.039 916 HZ1 LYS 124 HZ1 LYS 124 23.958 14.055 -5.249 917 HZ2 LYS 124 HZ2 LYS 124 25.407 14.926 -5.317 918 HZ3 LYS 124 HZ3 LYS 124 23.942 15.738 -5.079 919 H ARG 125 H ARG 125 26.123 18.989 1.756 920 HA ARG 125 HA ARG 125 29.046 19.108 1.436 921 HB2 ARG 125 HB2 ARG 125 28.918 21.411 2.213 922 HB3 ARG 125 HB3 ARG 125 27.850 21.175 0.837 923 HG2 ARG 125 HG2 ARG 125 26.115 21.892 2.004 924 HG3 ARG 125 HG3 ARG 125 26.408 20.683 3.256 925 HD2 ARG 125 HD2 ARG 125 27.605 22.130 4.566 926 HD3 ARG 125 HD3 ARG 125 28.147 23.093 3.192 927 HE ARG 125 HE ARG 125 25.350 23.350 3.551 928 HH11 ARG 125 HH11 ARG 125 28.398 24.354 4.900 929 HH12 ARG 125 HH12 ARG 125 27.770 25.830 5.556 930 HH21 ARG 125 HH21 ARG 125 24.511 25.289 4.410 931 HH22 ARG 125 HH22 ARG 125 25.559 26.360 5.277 932 H GLU 126 H GLU 126 26.669 18.027 3.490 933 HA GLU 126 HA GLU 126 27.447 18.749 6.039 934 HB2 GLU 126 HB2 GLU 126 26.302 16.829 6.827 935 HB3 GLU 126 HB3 GLU 126 25.461 17.329 5.367 936 HG2 GLU 126 HG2 GLU 126 25.586 15.119 4.935 937 HG3 GLU 126 HG3 GLU 126 27.148 15.594 4.272 938 H ALA 127 H ALA 127 28.968 16.542 3.812 939 HA ALA 127 HA ALA 127 31.150 16.171 5.750 940 HB1 ALA 127 HB1 ALA 127 31.310 13.863 4.364 941 HB2 ALA 127 HB2 ALA 127 30.449 14.035 5.894 942 HB3 ALA 127 HB3 ALA 127 29.563 14.110 4.372 943 H LYS 128 H LYS 128 32.942 17.040 4.964 944 HA LYS 128 HA LYS 128 33.956 16.401 2.388 945 HB2 LYS 128 HB2 LYS 128 32.331 18.051 1.646 946 HB3 LYS 128 HB3 LYS 128 32.940 19.216 2.814 947 HG2 LYS 128 HG2 LYS 128 34.992 19.444 1.644 948 HG3 LYS 128 HG3 LYS 128 34.620 18.070 0.600 949 HD2 LYS 128 HD2 LYS 128 34.053 19.781 -0.804 950 HD3 LYS 128 HD3 LYS 128 32.506 19.549 0.014 951 HE2 LYS 128 HE2 LYS 128 32.683 21.793 0.289 952 HE3 LYS 128 HE3 LYS 128 33.611 21.295 1.703 953 HZ1 LYS 128 HZ1 LYS 128 35.323 21.391 -0.520 954 HZ2 LYS 128 HZ2 LYS 128 35.369 22.332 0.885 955 HZ3 LYS 128 HZ3 LYS 128 34.465 22.848 -0.449 Start of MODEL 16 1 H1 MET 1 H MET 1 -10.044 13.974 4.887 2 HA MET 1 HA MET 1 -11.816 12.234 6.330 3 HB2 MET 1 HB2 MET 1 -13.166 14.064 7.326 4 HB3 MET 1 HB3 MET 1 -11.562 13.927 8.033 5 HG2 MET 1 HG2 MET 1 -11.897 15.812 5.776 6 HG3 MET 1 HG3 MET 1 -12.625 16.249 7.320 7 HE1 MET 1 HE1 MET 1 -10.372 18.212 8.739 8 HE2 MET 1 HE2 MET 1 -11.813 17.213 8.933 9 HE3 MET 1 HE3 MET 1 -10.315 16.771 9.755 10 H ALA 2 H ALA 2 -11.106 12.873 3.571 11 HA ALA 2 HA ALA 2 -13.797 13.563 2.605 12 HB1 ALA 2 HB1 ALA 2 -12.957 14.908 0.857 13 HB2 ALA 2 HB2 ALA 2 -12.126 15.441 2.319 14 HB3 ALA 2 HB3 ALA 2 -11.296 14.401 1.162 15 H TYR 3 H TYR 3 -13.657 13.087 0.011 16 HA TYR 3 HA TYR 3 -13.555 10.265 -0.165 17 HB2 TYR 3 HB2 TYR 3 -13.655 12.251 -2.443 18 HB3 TYR 3 HB3 TYR 3 -14.140 10.560 -2.498 19 HD1 TYR 3 HD1 TYR 3 -15.870 10.054 -0.375 20 HD2 TYR 3 HD2 TYR 3 -15.436 13.701 -2.522 21 HE1 TYR 3 HE1 TYR 3 -18.163 10.688 0.251 22 HE2 TYR 3 HE2 TYR 3 -17.727 14.346 -1.901 23 HH TYR 3 HH TYR 3 -19.904 12.982 -1.232 24 H SER 4 H SER 4 -12.426 9.509 -2.453 25 HA SER 4 HA SER 4 -9.677 10.460 -2.559 26 HB2 SER 4 HB2 SER 4 -10.331 8.241 -0.980 27 HB3 SER 4 HB3 SER 4 -9.659 7.563 -2.463 28 HG SER 4 HG SER 4 -7.804 8.052 -1.619 29 H GLU 5 H GLU 5 -8.443 9.344 -4.326 30 HA GLU 5 HA GLU 5 -10.078 8.116 -6.393 31 HB2 GLU 5 HB2 GLU 5 -8.976 10.872 -6.548 32 HB3 GLU 5 HB3 GLU 5 -8.851 9.877 -7.992 33 HG2 GLU 5 HG2 GLU 5 -11.009 10.106 -8.462 34 HG3 GLU 5 HG3 GLU 5 -11.493 9.762 -6.802 35 H LYS 6 H LYS 6 -8.952 6.722 -7.645 36 HA LYS 6 HA LYS 6 -6.026 6.667 -7.297 37 HB2 LYS 6 HB2 LYS 6 -7.544 4.782 -6.281 38 HB3 LYS 6 HB3 LYS 6 -7.593 4.198 -7.939 39 HG2 LYS 6 HG2 LYS 6 -5.814 3.019 -7.135 40 HG3 LYS 6 HG3 LYS 6 -4.987 4.444 -7.768 41 HD2 LYS 6 HD2 LYS 6 -4.051 4.178 -5.654 42 HD3 LYS 6 HD3 LYS 6 -5.295 5.402 -5.392 43 HE2 LYS 6 HE2 LYS 6 -6.774 3.274 -4.878 44 HE3 LYS 6 HE3 LYS 6 -5.203 2.557 -4.522 45 HZ1 LYS 6 HZ1 LYS 6 -5.725 5.168 -3.351 46 HZ2 LYS 6 HZ2 LYS 6 -4.938 3.824 -2.693 47 HZ3 LYS 6 HZ3 LYS 6 -6.628 3.881 -2.728 48 H VAL 7 H VAL 7 -4.778 5.906 -9.085 49 HA VAL 7 HA VAL 7 -6.165 5.834 -11.670 50 HB VAL 7 HB VAL 7 -3.722 7.523 -11.111 51 HG11 VAL 7 HG11 VAL 7 -3.457 6.753 -13.298 52 HG12 VAL 7 HG12 VAL 7 -5.188 6.823 -13.632 53 HG13 VAL 7 HG13 VAL 7 -4.254 8.313 -13.497 54 HG21 VAL 7 HG21 VAL 7 -6.622 8.131 -11.327 55 HG22 VAL 7 HG22 VAL 7 -5.386 8.862 -10.303 56 HG23 VAL 7 HG23 VAL 7 -5.479 9.287 -12.011 57 H ILE 8 H ILE 8 -5.464 4.253 -12.961 58 HA ILE 8 HA ILE 8 -2.956 2.893 -12.230 59 HB ILE 8 HB ILE 8 -5.011 1.521 -12.003 60 HG12 ILE 8 HG12 ILE 8 -3.522 0.337 -14.303 61 HG13 ILE 8 HG13 ILE 8 -2.617 0.737 -12.847 62 HG21 ILE 8 HG21 ILE 8 -6.371 0.942 -13.819 63 HG22 ILE 8 HG22 ILE 8 -6.125 2.679 -13.989 64 HG23 ILE 8 HG23 ILE 8 -5.212 1.557 -14.997 65 HD11 ILE 8 HD11 ILE 8 -4.239 -1.534 -13.380 66 HD12 ILE 8 HD12 ILE 8 -3.261 -1.176 -11.957 67 HD13 ILE 8 HD13 ILE 8 -4.939 -0.639 -12.032 68 H ASP 9 H ASP 9 -1.484 2.336 -13.815 69 HA ASP 9 HA ASP 9 -0.296 2.561 -15.742 70 HB2 ASP 9 HB2 ASP 9 -2.884 1.739 -16.494 71 HB3 ASP 9 HB3 ASP 9 -2.431 3.010 -17.626 72 H HIS 10 H HIS 10 -0.355 4.034 -17.932 73 HA HIS 10 HA HIS 10 0.042 6.123 -18.741 74 HB2 HIS 10 HB2 HIS 10 -2.414 6.571 -17.066 75 HB3 HIS 10 HB3 HIS 10 -1.637 7.914 -17.900 76 HD1 HIS 10 HD1 HIS 10 -3.655 8.246 -19.467 77 HD2 HIS 10 HD2 HIS 10 -1.914 4.483 -19.729 78 HE1 HIS 10 HE1 HIS 10 -4.631 7.196 -21.534 79 H TYR 11 H TYR 11 2.074 5.975 -17.501 80 HA TYR 11 HA TYR 11 2.553 8.363 -16.055 81 HB2 TYR 11 HB2 TYR 11 3.063 7.500 -13.872 82 HB3 TYR 11 HB3 TYR 11 1.429 6.993 -14.283 83 HD1 TYR 11 HD1 TYR 11 1.311 4.610 -15.471 84 HD2 TYR 11 HD2 TYR 11 4.479 5.927 -12.955 85 HE1 TYR 11 HE1 TYR 11 1.919 2.270 -15.023 86 HE2 TYR 11 HE2 TYR 11 5.097 3.590 -12.501 87 HH TYR 11 HH TYR 11 4.782 1.318 -13.794 88 H GLU 12 H GLU 12 3.609 6.951 -18.315 89 HA GLU 12 HA GLU 12 6.399 6.702 -17.429 90 HB2 GLU 12 HB2 GLU 12 4.981 4.878 -19.377 91 HB3 GLU 12 HB3 GLU 12 6.717 4.885 -19.104 92 HG2 GLU 12 HG2 GLU 12 6.269 4.346 -16.712 93 HG3 GLU 12 HG3 GLU 12 4.568 4.158 -17.132 94 H ASN 13 H ASN 13 7.814 6.566 -19.585 95 HA ASN 13 HA ASN 13 8.712 7.839 -21.247 96 HB2 ASN 13 HB2 ASN 13 5.899 8.146 -22.287 97 HB3 ASN 13 HB3 ASN 13 7.399 8.061 -23.207 98 HD21 ASN 13 HD21 ASN 13 5.071 6.474 -23.599 99 HD22 ASN 13 HD22 ASN 13 5.516 4.827 -23.326 100 HA PRO 14 HA PRO 14 7.379 11.788 -19.181 101 HB2 PRO 14 HB2 PRO 14 9.873 12.481 -18.363 102 HB3 PRO 14 HB3 PRO 14 8.803 11.444 -17.412 103 HG2 PRO 14 HG2 PRO 14 11.069 10.682 -19.214 104 HG3 PRO 14 HG3 PRO 14 10.650 10.046 -17.612 105 HD2 PRO 14 HD2 PRO 14 10.029 8.746 -19.905 106 HD3 PRO 14 HD3 PRO 14 9.011 8.661 -18.453 107 H ARG 15 H ARG 15 7.014 12.307 -21.495 108 HA ARG 15 HA ARG 15 8.964 13.039 -23.314 109 HB2 ARG 15 HB2 ARG 15 7.263 14.314 -24.451 110 HB3 ARG 15 HB3 ARG 15 6.534 12.851 -23.804 111 HG2 ARG 15 HG2 ARG 15 5.882 14.338 -21.797 112 HG3 ARG 15 HG3 ARG 15 6.208 15.679 -22.897 113 HD2 ARG 15 HD2 ARG 15 4.669 13.978 -24.419 114 HD3 ARG 15 HD3 ARG 15 3.959 13.826 -22.812 115 HE ARG 15 HE ARG 15 4.227 16.514 -23.182 116 HH11 ARG 15 HH11 ARG 15 2.691 13.933 -24.942 117 HH12 ARG 15 HH12 ARG 15 1.445 14.944 -25.596 118 HH21 ARG 15 HH21 ARG 15 2.593 17.857 -24.037 119 HH22 ARG 15 HH22 ARG 15 1.391 17.176 -25.082 120 H ASN 16 H ASN 16 7.787 14.751 -20.521 121 HA ASN 16 HA ASN 16 9.258 17.165 -21.279 122 HB2 ASN 16 HB2 ASN 16 6.973 16.577 -19.541 123 HB3 ASN 16 HB3 ASN 16 8.142 17.674 -18.811 124 HD21 ASN 16 HD21 ASN 16 5.387 17.620 -20.473 125 HD22 ASN 16 HD22 ASN 16 5.511 19.104 -21.348 126 H VAL 17 H VAL 17 11.388 16.618 -20.961 127 HA VAL 17 HA VAL 17 12.447 15.165 -18.830 128 HB VAL 17 HB VAL 17 14.595 16.424 -19.338 129 HG11 VAL 17 HG11 VAL 17 13.033 14.866 -21.360 130 HG12 VAL 17 HG12 VAL 17 14.651 15.459 -21.741 131 HG13 VAL 17 HG13 VAL 17 14.410 14.361 -20.381 132 HG21 VAL 17 HG21 VAL 17 14.688 18.099 -20.863 133 HG22 VAL 17 HG22 VAL 17 13.349 17.459 -21.815 134 HG23 VAL 17 HG23 VAL 17 13.026 18.353 -20.329 135 H GLY 18 H GLY 18 13.738 15.912 -17.015 136 HA2 GLY 18 HA2 GLY 18 13.746 18.557 -16.072 137 HA3 GLY 18 HA3 GLY 18 12.360 17.731 -15.376 138 H SER 19 H SER 19 15.706 16.716 -16.062 139 HA SER 19 HA SER 19 16.068 16.207 -13.193 140 HB2 SER 19 HB2 SER 19 17.412 14.194 -14.781 141 HB3 SER 19 HB3 SER 19 16.279 13.988 -13.445 142 HG SER 19 HG SER 19 15.545 14.530 -16.134 143 H PHE 20 H PHE 20 18.578 15.195 -13.182 144 HA PHE 20 HA PHE 20 20.168 17.332 -14.443 145 HB2 PHE 20 HB2 PHE 20 21.780 16.891 -12.511 146 HB3 PHE 20 HB3 PHE 20 20.267 17.698 -12.110 147 HD1 PHE 20 HD2 PHE 20 21.625 14.230 -12.367 148 HD2 PHE 20 HD1 PHE 20 19.152 16.970 -10.247 149 HE1 PHE 20 HE2 PHE 20 21.155 12.499 -10.684 150 HE2 PHE 20 HE1 PHE 20 18.678 15.243 -8.560 151 HZ PHE 20 HZ PHE 20 19.679 13.003 -8.778 152 H ASP 21 H ASP 21 22.665 16.517 -14.208 153 HA ASP 21 HA ASP 21 22.869 14.409 -16.122 154 HB2 ASP 21 HB2 ASP 21 24.697 16.321 -14.822 155 HB3 ASP 21 HB3 ASP 21 25.430 14.783 -15.268 156 H ASN 22 H ASN 22 24.541 14.669 -12.986 157 HA ASN 22 HA ASN 22 23.598 12.181 -12.009 158 HB2 ASN 22 HB2 ASN 22 25.229 11.531 -13.894 159 HB3 ASN 22 HB3 ASN 22 26.499 12.098 -12.812 160 HD21 ASN 22 HD21 ASN 22 24.698 9.480 -13.752 161 HD22 ASN 22 HD22 ASN 22 24.995 8.443 -12.402 162 H ASN 23 H ASN 23 23.271 13.548 -10.207 163 HA ASN 23 HA ASN 23 23.774 14.385 -8.153 164 HB2 ASN 23 HB2 ASN 23 25.742 12.343 -8.646 165 HB3 ASN 23 HB3 ASN 23 26.468 13.658 -7.726 166 HD21 ASN 23 HD21 ASN 23 25.591 10.838 -7.087 167 HD22 ASN 23 HD22 ASN 23 24.638 11.009 -5.656 168 H ASP 24 H ASP 24 25.107 16.001 -7.032 169 HA ASP 24 HA ASP 24 27.205 17.380 -8.334 170 HB2 ASP 24 HB2 ASP 24 24.768 17.984 -9.452 171 HB3 ASP 24 HB3 ASP 24 24.954 19.260 -8.252 172 H GLU 25 H GLU 25 28.248 18.698 -6.927 173 HA GLU 25 HA GLU 25 27.647 18.565 -4.196 174 HB2 GLU 25 HB2 GLU 25 29.433 20.197 -3.888 175 HB3 GLU 25 HB3 GLU 25 29.908 18.977 -5.060 176 HG2 GLU 25 HG2 GLU 25 30.460 20.621 -6.429 177 HG3 GLU 25 HG3 GLU 25 28.744 20.997 -6.574 178 H ASN 26 H ASN 26 26.494 20.668 -6.653 179 HA ASN 26 HA ASN 26 25.178 22.328 -4.606 180 HB2 ASN 26 HB2 ASN 26 25.137 24.044 -6.614 181 HB3 ASN 26 HB3 ASN 26 26.550 23.909 -5.572 182 HD21 ASN 26 HD21 ASN 26 25.264 22.162 -8.385 183 HD22 ASN 26 HD22 ASN 26 26.738 22.185 -9.284 184 H VAL 27 H VAL 27 23.727 20.294 -5.030 185 HA VAL 27 HA VAL 27 21.596 21.202 -6.807 186 HB VAL 27 HB VAL 27 22.976 19.552 -8.089 187 HG11 VAL 27 HG11 VAL 27 23.119 18.174 -5.754 188 HG12 VAL 27 HG12 VAL 27 21.864 17.275 -6.608 189 HG13 VAL 27 HG13 VAL 27 23.453 17.487 -7.343 190 HG21 VAL 27 HG21 VAL 27 20.237 18.460 -7.507 191 HG22 VAL 27 HG22 VAL 27 20.484 19.968 -8.387 192 HG23 VAL 27 HG23 VAL 27 21.118 18.455 -9.034 193 H GLY 28 H GLY 28 19.547 20.659 -6.126 194 HA2 GLY 28 HA2 GLY 28 19.399 19.144 -3.593 195 HA3 GLY 28 HA3 GLY 28 18.451 20.594 -3.886 196 H SER 29 H SER 29 18.372 17.286 -3.883 197 HA SER 29 HA SER 29 16.184 17.181 -5.849 198 HB2 SER 29 HB2 SER 29 16.703 14.568 -5.297 199 HB3 SER 29 HB3 SER 29 17.464 15.467 -6.609 200 HG SER 29 HG SER 29 19.282 15.649 -5.459 201 H GLY 30 H GLY 30 14.179 17.015 -5.106 202 HA2 GLY 30 HA2 GLY 30 13.762 15.787 -2.455 203 HA3 GLY 30 HA3 GLY 30 12.989 17.308 -2.877 204 H MET 31 H MET 31 12.465 14.092 -2.601 205 HA MET 31 HA MET 31 10.254 14.187 -4.542 206 HB2 MET 31 HB2 MET 31 11.939 12.687 -5.423 207 HB3 MET 31 HB3 MET 31 12.029 11.830 -3.891 208 HG2 MET 31 HG2 MET 31 9.329 11.865 -4.887 209 HG3 MET 31 HG3 MET 31 10.439 11.211 -6.088 210 HE1 MET 31 HE1 MET 31 8.667 9.098 -2.608 211 HE2 MET 31 HE2 MET 31 9.244 10.720 -2.224 212 HE3 MET 31 HE3 MET 31 8.111 10.478 -3.556 213 H VAL 32 H VAL 32 8.300 13.784 -3.717 214 HA VAL 32 HA VAL 32 8.142 12.485 -1.076 215 HB VAL 32 HB VAL 32 6.272 13.927 -0.487 216 HG11 VAL 32 HG11 VAL 32 8.042 14.985 0.417 217 HG12 VAL 32 HG12 VAL 32 8.945 14.995 -1.099 218 HG13 VAL 32 HG13 VAL 32 7.692 16.203 -0.810 219 HG21 VAL 32 HG21 VAL 32 5.083 14.842 -2.133 220 HG22 VAL 32 HG22 VAL 32 6.371 16.035 -2.298 221 HG23 VAL 32 HG23 VAL 32 6.378 14.585 -3.302 222 H GLY 33 H GLY 33 6.711 10.859 -0.875 223 HA2 GLY 33 HA2 GLY 33 4.656 10.540 -2.960 224 HA3 GLY 33 HA3 GLY 33 5.740 9.205 -2.595 225 H ALA 34 H ALA 34 2.792 9.469 -2.351 226 HA ALA 34 HA ALA 34 2.583 8.786 0.509 227 HB1 ALA 34 HB1 ALA 34 0.042 9.522 -0.149 228 HB2 ALA 34 HB2 ALA 34 1.224 10.562 0.647 229 HB3 ALA 34 HB3 ALA 34 1.004 10.653 -1.100 230 HA PRO 35 HA PRO 35 1.113 4.863 -0.853 231 HB2 PRO 35 HB2 PRO 35 -0.179 4.094 1.408 232 HB3 PRO 35 HB3 PRO 35 1.583 4.122 1.271 233 HG2 PRO 35 HG2 PRO 35 -0.252 6.131 2.519 234 HG3 PRO 35 HG3 PRO 35 1.298 5.509 3.116 235 HD2 PRO 35 HD2 PRO 35 1.067 7.911 1.887 236 HD3 PRO 35 HD3 PRO 35 2.526 6.907 1.755 237 H ALA 36 H ALA 36 -1.264 6.786 0.989 238 HA ALA 36 HA ALA 36 -3.497 5.552 -0.323 239 HB1 ALA 36 HB1 ALA 36 -3.656 6.364 1.981 240 HB2 ALA 36 HB2 ALA 36 -3.408 8.017 1.414 241 HB3 ALA 36 HB3 ALA 36 -4.856 7.129 0.939 242 H CYS 37 H CYS 37 -1.474 8.286 -0.922 243 HA CYS 37 HA CYS 37 -3.315 9.700 -2.599 244 HB2 CYS 37 HB2 CYS 37 -1.287 10.659 -1.349 245 HB3 CYS 37 HB3 CYS 37 -0.317 9.994 -2.658 246 HG CYS 37 HG CYS 37 -1.144 11.642 -4.595 247 H GLY 38 H GLY 38 -0.628 7.460 -3.137 248 HA2 GLY 38 HA2 GLY 38 -0.350 5.995 -4.922 249 HA3 GLY 38 HA3 GLY 38 -1.743 6.728 -5.705 250 H ALA 39 H ALA 39 -0.618 9.445 -5.398 251 HA ALA 39 HA ALA 39 1.057 9.379 -7.775 252 HB1 ALA 39 HB1 ALA 39 0.404 11.960 -6.490 253 HB2 ALA 39 HB2 ALA 39 0.362 11.493 -8.191 254 HB3 ALA 39 HB3 ALA 39 -0.951 11.018 -7.114 255 H VAL 40 H VAL 40 2.707 11.428 -7.654 256 HA VAL 40 HA VAL 40 4.179 11.486 -5.162 257 HB VAL 40 HB VAL 40 4.979 9.415 -6.337 258 HG11 VAL 40 HG11 VAL 40 5.768 9.421 -8.434 259 HG12 VAL 40 HG12 VAL 40 4.913 10.957 -8.589 260 HG13 VAL 40 HG13 VAL 40 6.635 10.939 -8.206 261 HG21 VAL 40 HG21 VAL 40 6.908 11.671 -5.825 262 HG22 VAL 40 HG22 VAL 40 6.399 10.410 -4.702 263 HG23 VAL 40 HG23 VAL 40 7.409 10.001 -6.088 264 H MET 41 H MET 41 5.532 13.246 -4.984 265 HA MET 41 HA MET 41 5.596 15.063 -7.303 266 HB2 MET 41 HB2 MET 41 4.621 15.487 -4.612 267 HB3 MET 41 HB3 MET 41 5.904 16.624 -4.999 268 HG2 MET 41 HG2 MET 41 4.550 17.828 -6.266 269 HG3 MET 41 HG3 MET 41 4.063 16.409 -7.191 270 HE1 MET 41 HE1 MET 41 1.258 18.640 -6.391 271 HE2 MET 41 HE2 MET 41 1.810 19.047 -4.766 272 HE3 MET 41 HE3 MET 41 2.934 19.119 -6.124 273 H LYS 42 H LYS 42 7.595 15.154 -8.078 274 HA LYS 42 HA LYS 42 9.833 15.262 -6.163 275 HB2 LYS 42 HB2 LYS 42 11.187 14.244 -8.087 276 HB3 LYS 42 HB3 LYS 42 10.092 13.179 -7.215 277 HG2 LYS 42 HG2 LYS 42 8.417 13.520 -9.016 278 HG3 LYS 42 HG3 LYS 42 9.630 14.444 -9.907 279 HD2 LYS 42 HD2 LYS 42 9.893 11.565 -9.040 280 HD3 LYS 42 HD3 LYS 42 9.520 12.118 -10.674 281 HE2 LYS 42 HE2 LYS 42 11.787 13.529 -10.090 282 HE3 LYS 42 HE3 LYS 42 12.080 12.004 -9.257 283 HZ1 LYS 42 HZ1 LYS 42 11.032 11.601 -11.879 284 HZ2 LYS 42 HZ2 LYS 42 12.439 10.977 -11.177 285 HZ3 LYS 42 HZ3 LYS 42 12.466 12.497 -11.918 286 H LEU 43 H LEU 43 11.304 16.860 -6.423 287 HA LEU 43 HA LEU 43 11.260 18.452 -8.876 288 HB2 LEU 43 HB2 LEU 43 10.579 19.390 -6.136 289 HB3 LEU 43 HB3 LEU 43 11.483 20.474 -7.191 290 HG LEU 43 HG LEU 43 9.605 20.136 -8.881 291 HD11 LEU 43 HD11 LEU 43 8.041 18.642 -8.399 292 HD12 LEU 43 HD12 LEU 43 7.524 19.670 -7.063 293 HD13 LEU 43 HD13 LEU 43 8.710 18.394 -6.786 294 HD21 LEU 43 HD21 LEU 43 10.018 22.105 -7.262 295 HD22 LEU 43 HD22 LEU 43 8.645 21.453 -6.368 296 HD23 LEU 43 HD23 LEU 43 8.444 21.964 -8.045 297 H GLN 44 H GLN 44 13.136 19.853 -9.104 298 HA GLN 44 HA GLN 44 15.407 19.095 -7.401 299 HB2 GLN 44 HB2 GLN 44 15.024 18.380 -10.142 300 HB3 GLN 44 HB3 GLN 44 16.372 19.505 -10.040 301 HG2 GLN 44 HG2 GLN 44 17.710 17.939 -9.235 302 HG3 GLN 44 HG3 GLN 44 16.558 17.525 -7.967 303 HE21 GLN 44 HE21 GLN 44 15.489 15.658 -8.100 304 HE22 GLN 44 HE22 GLN 44 15.530 14.583 -9.452 305 H ILE 45 H ILE 45 16.854 20.698 -6.961 306 HA ILE 45 HA ILE 45 16.455 23.291 -8.291 307 HB ILE 45 HB ILE 45 16.796 24.437 -6.134 308 HG12 ILE 45 HG12 ILE 45 16.472 21.690 -4.909 309 HG13 ILE 45 HG13 ILE 45 17.999 22.558 -5.021 310 HG21 ILE 45 HG21 ILE 45 14.525 23.849 -7.084 311 HG22 ILE 45 HG22 ILE 45 14.478 22.537 -5.908 312 HG23 ILE 45 HG23 ILE 45 14.578 24.209 -5.359 313 HD11 ILE 45 HD11 ILE 45 17.493 23.930 -3.314 314 HD12 ILE 45 HD12 ILE 45 15.782 24.007 -3.737 315 HD13 ILE 45 HD13 ILE 45 16.414 22.609 -2.868 316 H LYS 46 H LYS 46 18.307 24.834 -7.683 317 HA LYS 46 HA LYS 46 20.845 23.395 -7.375 318 HB2 LYS 46 HB2 LYS 46 19.883 24.755 -9.767 319 HB3 LYS 46 HB3 LYS 46 21.428 25.390 -9.215 320 HG2 LYS 46 HG2 LYS 46 21.354 22.488 -9.198 321 HG3 LYS 46 HG3 LYS 46 21.044 23.170 -10.797 322 HD2 LYS 46 HD2 LYS 46 23.099 24.381 -10.761 323 HD3 LYS 46 HD3 LYS 46 23.365 23.994 -9.059 324 HE2 LYS 46 HE2 LYS 46 24.771 22.607 -10.468 325 HE3 LYS 46 HE3 LYS 46 23.566 21.618 -9.646 326 HZ1 LYS 46 HZ1 LYS 46 22.326 21.394 -11.609 327 HZ2 LYS 46 HZ2 LYS 46 23.932 21.148 -12.079 328 HZ3 LYS 46 HZ3 LYS 46 23.173 22.625 -12.402 329 H VAL 47 H VAL 47 21.504 24.223 -5.479 330 HA VAL 47 HA VAL 47 21.218 27.084 -4.963 331 HB VAL 47 HB VAL 47 22.362 25.009 -3.098 332 HG11 VAL 47 HG11 VAL 47 21.715 26.623 -1.366 333 HG12 VAL 47 HG12 VAL 47 22.862 27.316 -2.514 334 HG13 VAL 47 HG13 VAL 47 21.150 27.729 -2.618 335 HG21 VAL 47 HG21 VAL 47 20.114 24.329 -3.781 336 HG22 VAL 47 HG22 VAL 47 20.142 24.843 -2.094 337 HG23 VAL 47 HG23 VAL 47 19.494 25.918 -3.333 338 H ASN 48 H ASN 48 22.950 28.448 -4.513 339 HA ASN 48 HA ASN 48 25.517 27.533 -5.599 340 HB2 ASN 48 HB2 ASN 48 25.922 30.144 -5.458 341 HB3 ASN 48 HB3 ASN 48 25.005 29.439 -6.786 342 HD21 ASN 48 HD21 ASN 48 24.622 30.859 -3.572 343 HD22 ASN 48 HD22 ASN 48 23.094 31.601 -3.890 344 H ASP 49 H ASP 49 27.391 28.994 -4.574 345 HA ASP 49 HA ASP 49 27.888 27.987 -2.032 346 HB2 ASP 49 HB2 ASP 49 29.183 29.811 -3.874 347 HB3 ASP 49 HB3 ASP 49 29.399 30.335 -2.207 348 H GLU 50 H GLU 50 26.436 31.038 -3.014 349 HA GLU 50 HA GLU 50 26.447 32.265 -0.467 350 HB2 GLU 50 HB2 GLU 50 25.308 32.798 -3.097 351 HB3 GLU 50 HB3 GLU 50 24.243 33.302 -1.792 352 HG2 GLU 50 HG2 GLU 50 25.430 35.152 -1.596 353 HG3 GLU 50 HG3 GLU 50 26.804 34.178 -1.074 354 H GLY 51 H GLY 51 24.579 29.727 -1.783 355 HA2 GLY 51 HA2 GLY 51 23.101 28.352 -0.613 356 HA3 GLY 51 HA3 GLY 51 23.049 29.546 0.676 357 H ILE 52 H ILE 52 22.463 30.272 -2.708 358 HA ILE 52 HA ILE 52 19.619 30.703 -2.061 359 HB ILE 52 HB ILE 52 21.374 32.418 -3.822 360 HG12 ILE 52 HG12 ILE 52 21.740 32.853 -1.461 361 HG13 ILE 52 HG13 ILE 52 20.829 34.184 -2.165 362 HG21 ILE 52 HG21 ILE 52 19.258 32.364 -4.859 363 HG22 ILE 52 HG22 ILE 52 18.413 32.449 -3.314 364 HG23 ILE 52 HG23 ILE 52 19.287 33.856 -3.919 365 HD11 ILE 52 HD11 ILE 52 20.051 32.229 -0.112 366 HD12 ILE 52 HD12 ILE 52 19.572 33.914 -0.325 367 HD13 ILE 52 HD13 ILE 52 18.808 32.651 -1.290 368 H ILE 53 H ILE 53 18.116 30.150 -3.602 369 HA ILE 53 HA ILE 53 18.844 28.129 -5.452 370 HB ILE 53 HB ILE 53 16.259 29.669 -5.186 371 HG12 ILE 53 HG12 ILE 53 16.963 28.313 -3.208 372 HG13 ILE 53 HG13 ILE 53 15.461 27.762 -3.941 373 HG21 ILE 53 HG21 ILE 53 16.904 27.183 -6.764 374 HG22 ILE 53 HG22 ILE 53 15.273 27.775 -6.452 375 HG23 ILE 53 HG23 ILE 53 16.397 28.747 -7.402 376 HD11 ILE 53 HD11 ILE 53 17.513 26.151 -3.259 377 HD12 ILE 53 HD12 ILE 53 16.324 25.775 -4.507 378 HD13 ILE 53 HD13 ILE 53 17.885 26.461 -4.955 379 H GLU 54 H GLU 54 19.801 28.423 -7.345 380 HA GLU 54 HA GLU 54 19.400 30.960 -8.768 381 HB2 GLU 54 HB2 GLU 54 21.485 30.674 -9.765 382 HB3 GLU 54 HB3 GLU 54 21.735 30.036 -8.146 383 HG2 GLU 54 HG2 GLU 54 21.310 27.753 -9.074 384 HG3 GLU 54 HG3 GLU 54 21.316 28.477 -10.681 385 H ASP 55 H ASP 55 18.992 27.509 -9.020 386 HA ASP 55 HA ASP 55 17.430 27.906 -11.460 387 HB2 ASP 55 HB2 ASP 55 19.989 26.558 -11.340 388 HB3 ASP 55 HB3 ASP 55 18.721 25.451 -11.861 389 H ALA 56 H ALA 56 15.864 26.273 -11.850 390 HA ALA 56 HA ALA 56 15.498 24.224 -9.813 391 HB1 ALA 56 HB1 ALA 56 13.505 24.958 -8.953 392 HB2 ALA 56 HB2 ALA 56 14.327 26.496 -9.217 393 HB3 ALA 56 HB3 ALA 56 13.123 25.930 -10.374 394 H ARG 57 H ARG 57 15.155 22.417 -10.911 395 HA ARG 57 HA ARG 57 13.379 22.506 -13.254 396 HB2 ARG 57 HB2 ARG 57 15.520 22.312 -14.231 397 HB3 ARG 57 HB3 ARG 57 16.067 21.177 -13.004 398 HG2 ARG 57 HG2 ARG 57 14.560 19.477 -13.895 399 HG3 ARG 57 HG3 ARG 57 14.001 20.617 -15.122 400 HD2 ARG 57 HD2 ARG 57 16.819 19.590 -14.795 401 HD3 ARG 57 HD3 ARG 57 15.670 19.092 -16.036 402 HE ARG 57 HE ARG 57 17.305 21.420 -16.060 403 HH11 ARG 57 HH11 ARG 57 14.200 20.188 -17.041 404 HH12 ARG 57 HH12 ARG 57 14.031 21.297 -18.360 405 HH21 ARG 57 HH21 ARG 57 17.093 22.886 -17.795 406 HH22 ARG 57 HH22 ARG 57 15.677 22.831 -18.789 407 H PHE 58 H PHE 58 12.092 20.688 -13.595 408 HA PHE 58 HA PHE 58 12.301 18.377 -11.895 409 HB2 PHE 58 HB2 PHE 58 10.281 18.624 -10.669 410 HB3 PHE 58 HB3 PHE 58 11.151 20.143 -10.477 411 HD1 PHE 58 HD2 PHE 58 10.559 21.912 -12.417 412 HD2 PHE 58 HD1 PHE 58 8.034 18.769 -11.053 413 HE1 PHE 58 HE2 PHE 58 8.592 23.141 -13.237 414 HE2 PHE 58 HE1 PHE 58 6.062 19.993 -11.872 415 HZ PHE 58 HZ PHE 58 6.340 22.183 -12.964 416 H LYS 59 H LYS 59 10.487 16.821 -12.328 417 HA LYS 59 HA LYS 59 9.228 17.224 -14.944 418 HB2 LYS 59 HB2 LYS 59 9.852 14.770 -15.430 419 HB3 LYS 59 HB3 LYS 59 11.093 15.998 -15.637 420 HG2 LYS 59 HG2 LYS 59 12.389 15.119 -14.049 421 HG3 LYS 59 HG3 LYS 59 11.029 14.859 -12.954 422 HD2 LYS 59 HD2 LYS 59 10.927 12.699 -13.488 423 HD3 LYS 59 HD3 LYS 59 10.883 13.072 -15.213 424 HE2 LYS 59 HE2 LYS 59 13.225 13.042 -15.387 425 HE3 LYS 59 HE3 LYS 59 13.441 13.151 -13.640 426 HZ1 LYS 59 HZ1 LYS 59 12.052 10.873 -13.875 427 HZ2 LYS 59 HZ2 LYS 59 13.740 10.951 -13.802 428 HZ3 LYS 59 HZ3 LYS 59 12.963 10.832 -15.300 429 H THR 60 H THR 60 7.287 16.160 -15.233 430 HA THR 60 HA THR 60 5.894 15.426 -12.843 431 HB THR 60 HB THR 60 4.808 16.611 -14.753 432 HG1 THR 60 HG1 THR 60 3.751 15.042 -13.130 433 HG21 THR 60 HG21 THR 60 4.507 15.687 -16.809 434 HG22 THR 60 HG22 THR 60 4.397 14.045 -16.175 435 HG23 THR 60 HG23 THR 60 5.972 14.814 -16.366 436 H TYR 61 H TYR 61 5.037 13.426 -12.274 437 HA TYR 61 HA TYR 61 5.536 11.084 -13.871 438 HB2 TYR 61 HB2 TYR 61 7.684 11.731 -12.471 439 HB3 TYR 61 HB3 TYR 61 6.791 10.965 -11.162 440 HD1 TYR 61 HD1 TYR 61 8.233 10.398 -14.523 441 HD2 TYR 61 HD2 TYR 61 6.621 8.608 -11.016 442 HE1 TYR 61 HE1 TYR 61 8.988 8.193 -15.309 443 HE2 TYR 61 HE2 TYR 61 7.373 6.398 -11.792 444 HH TYR 61 HH TYR 61 8.200 5.709 -14.856 445 H GLY 62 H GLY 62 3.273 10.890 -13.700 446 HA2 GLY 62 HA2 GLY 62 2.050 9.130 -12.245 447 HA3 GLY 62 HA3 GLY 62 2.213 10.367 -11.007 448 H CYS 63 H CYS 63 -0.109 9.094 -12.561 449 HA CYS 63 HA CYS 63 -2.127 9.719 -13.409 450 HB2 CYS 63 HB2 CYS 63 -1.500 12.304 -11.966 451 HB3 CYS 63 HB3 CYS 63 -3.094 11.779 -12.495 452 HG CYS 63 HG CYS 63 -3.090 9.517 -10.777 453 H GLY 64 H GLY 64 0.255 10.229 -15.029 454 HA2 GLY 64 HA2 GLY 64 0.450 10.995 -17.221 455 HA3 GLY 64 HA3 GLY 64 -1.004 11.954 -16.989 456 H SER 65 H SER 65 -0.665 14.059 -17.121 457 HA SER 65 HA SER 65 1.976 15.162 -16.946 458 HB2 SER 65 HB2 SER 65 -0.402 15.915 -18.177 459 HB3 SER 65 HB3 SER 65 -0.179 17.123 -16.912 460 HG SER 65 HG SER 65 0.906 17.812 -18.734 461 H ALA 66 H ALA 66 2.177 17.326 -15.665 462 HA ALA 66 HA ALA 66 1.677 16.654 -12.879 463 HB1 ALA 66 HB1 ALA 66 3.029 19.059 -12.903 464 HB2 ALA 66 HB2 ALA 66 3.752 17.457 -12.748 465 HB3 ALA 66 HB3 ALA 66 3.640 18.224 -14.332 466 H ILE 67 H ILE 67 1.371 18.841 -11.507 467 HA ILE 67 HA ILE 67 -1.004 20.173 -12.639 468 HB ILE 67 HB ILE 67 -1.726 20.484 -10.244 469 HG12 ILE 67 HG12 ILE 67 0.418 18.403 -9.762 470 HG13 ILE 67 HG13 ILE 67 0.452 20.067 -9.188 471 HG21 ILE 67 HG21 ILE 67 -1.562 17.561 -10.793 472 HG22 ILE 67 HG22 ILE 67 -2.935 18.535 -10.271 473 HG23 ILE 67 HG23 ILE 67 -2.392 18.604 -11.947 474 HD11 ILE 67 HD11 ILE 67 -0.447 19.283 -7.319 475 HD12 ILE 67 HD12 ILE 67 -1.945 19.108 -8.233 476 HD13 ILE 67 HD13 ILE 67 -0.848 17.737 -8.066 477 H ALA 68 H ALA 68 -1.443 22.345 -11.748 478 HA ALA 68 HA ALA 68 0.709 24.077 -12.086 479 HB1 ALA 68 HB1 ALA 68 -0.775 25.819 -11.160 480 HB2 ALA 68 HB2 ALA 68 -1.570 24.819 -12.376 481 HB3 ALA 68 HB3 ALA 68 -1.906 24.560 -10.665 482 H SER 69 H SER 69 -0.370 22.376 -9.270 483 HA SER 69 HA SER 69 0.680 23.960 -7.233 484 HB2 SER 69 HB2 SER 69 0.845 20.970 -7.067 485 HB3 SER 69 HB3 SER 69 0.375 22.132 -5.827 486 HG SER 69 HG SER 69 -1.516 22.528 -7.220 487 H SER 70 H SER 70 2.255 21.811 -9.479 488 HA SER 70 HA SER 70 4.764 21.833 -8.033 489 HB2 SER 70 HB2 SER 70 3.730 19.976 -9.634 490 HB3 SER 70 HB3 SER 70 4.596 20.898 -10.862 491 HG SER 70 HG SER 70 6.449 20.691 -9.344 492 H SER 71 H SER 71 3.517 23.128 -11.098 493 HA SER 71 HA SER 71 5.883 24.455 -11.859 494 HB2 SER 71 HB2 SER 71 4.696 25.131 -13.676 495 HB3 SER 71 HB3 SER 71 3.510 23.967 -13.083 496 HG SER 71 HG SER 71 2.363 25.793 -13.304 497 H LEU 72 H LEU 72 3.440 25.224 -9.562 498 HA LEU 72 HA LEU 72 3.997 28.051 -9.483 499 HB2 LEU 72 HB2 LEU 72 1.789 27.377 -8.925 500 HB3 LEU 72 HB3 LEU 72 2.376 26.214 -7.738 501 HG LEU 72 HG LEU 72 3.253 28.246 -6.452 502 HD11 LEU 72 HD11 LEU 72 2.340 29.574 -8.733 503 HD12 LEU 72 HD12 LEU 72 2.908 30.295 -7.228 504 HD13 LEU 72 HD13 LEU 72 1.189 29.975 -7.459 505 HD21 LEU 72 HD21 LEU 72 1.305 26.873 -5.802 506 HD22 LEU 72 HD22 LEU 72 0.269 27.933 -6.758 507 HD23 LEU 72 HD23 LEU 72 1.128 28.570 -5.355 508 H VAL 73 H VAL 73 4.623 25.273 -7.350 509 HA VAL 73 HA VAL 73 6.077 26.696 -5.402 510 HB VAL 73 HB VAL 73 6.969 24.489 -4.717 511 HG11 VAL 73 HG11 VAL 73 4.128 25.148 -5.027 512 HG12 VAL 73 HG12 VAL 73 4.459 23.442 -4.717 513 HG13 VAL 73 HG13 VAL 73 5.034 24.673 -3.591 514 HG21 VAL 73 HG21 VAL 73 7.192 23.528 -6.971 515 HG22 VAL 73 HG22 VAL 73 6.286 22.474 -5.886 516 HG23 VAL 73 HG23 VAL 73 5.435 23.437 -7.093 517 H THR 74 H THR 74 6.963 25.403 -8.501 518 HA THR 74 HA THR 74 9.780 25.373 -8.093 519 HB THR 74 HB THR 74 9.692 25.566 -10.734 520 HG1 THR 74 HG1 THR 74 7.648 25.890 -11.271 521 HG21 THR 74 HG21 THR 74 10.146 23.381 -10.614 522 HG22 THR 74 HG22 THR 74 8.519 23.007 -10.044 523 HG23 THR 74 HG23 THR 74 9.768 23.482 -8.894 524 H GLU 75 H GLU 75 7.608 27.658 -9.755 525 HA GLU 75 HA GLU 75 9.601 29.533 -10.415 526 HB2 GLU 75 HB2 GLU 75 6.628 29.891 -10.012 527 HB3 GLU 75 HB3 GLU 75 7.688 31.121 -10.684 528 HG2 GLU 75 HG2 GLU 75 7.204 28.396 -11.866 529 HG3 GLU 75 HG3 GLU 75 6.475 29.903 -12.417 530 H TRP 76 H TRP 76 8.040 28.813 -7.453 531 HA TRP 76 HA TRP 76 8.480 31.390 -6.240 532 HB2 TRP 76 HB2 TRP 76 7.155 28.897 -5.524 533 HB3 TRP 76 HB3 TRP 76 8.082 29.563 -4.183 534 HD1 TRP 76 HD1 TRP 76 4.718 29.541 -5.056 535 HE1 TRP 76 HE1 TRP 76 3.471 31.718 -4.483 536 HE3 TRP 76 HE3 TRP 76 8.735 32.652 -4.488 537 HZ2 TRP 76 HZ2 TRP 76 4.106 34.399 -3.871 538 HZ3 TRP 76 HZ3 TRP 76 8.329 35.008 -3.909 539 HH2 TRP 76 HH2 TRP 76 6.061 35.862 -3.608 540 H VAL 77 H VAL 77 9.965 28.173 -6.033 541 HA VAL 77 HA VAL 77 11.947 28.939 -4.138 542 HB VAL 77 HB VAL 77 13.065 26.808 -4.772 543 HG11 VAL 77 HG11 VAL 77 11.644 25.596 -3.497 544 HG12 VAL 77 HG12 VAL 77 10.870 27.166 -3.272 545 HG13 VAL 77 HG13 VAL 77 10.233 26.030 -4.462 546 HG21 VAL 77 HG21 VAL 77 10.760 26.531 -6.699 547 HG22 VAL 77 HG22 VAL 77 12.443 26.809 -7.147 548 HG23 VAL 77 HG23 VAL 77 11.979 25.305 -6.350 549 H LYS 78 H LYS 78 11.772 28.911 -7.635 550 HA LYS 78 HA LYS 78 14.481 29.151 -8.259 551 HB2 LYS 78 HB2 LYS 78 11.935 29.601 -9.608 552 HB3 LYS 78 HB3 LYS 78 13.185 30.715 -10.149 553 HG2 LYS 78 HG2 LYS 78 14.472 28.277 -10.115 554 HG3 LYS 78 HG3 LYS 78 12.850 27.886 -10.691 555 HD2 LYS 78 HD2 LYS 78 13.245 30.003 -12.210 556 HD3 LYS 78 HD3 LYS 78 14.943 29.617 -11.918 557 HE2 LYS 78 HE2 LYS 78 13.710 27.181 -12.529 558 HE3 LYS 78 HE3 LYS 78 13.047 28.345 -13.676 559 HZ1 LYS 78 HZ1 LYS 78 15.950 28.241 -13.201 560 HZ2 LYS 78 HZ2 LYS 78 15.110 28.771 -14.570 561 HZ3 LYS 78 HZ3 LYS 78 15.227 27.117 -14.238 562 H GLY 79 H GLY 79 15.671 30.536 -7.026 563 HA2 GLY 79 HA2 GLY 79 16.637 32.755 -7.127 564 HA3 GLY 79 HA3 GLY 79 15.012 33.396 -7.320 565 H LYS 80 H LYS 80 14.294 31.273 -5.151 566 HA LYS 80 HA LYS 80 14.593 33.127 -2.944 567 HB2 LYS 80 HB2 LYS 80 12.685 31.200 -3.696 568 HB3 LYS 80 HB3 LYS 80 13.399 30.609 -2.201 569 HG2 LYS 80 HG2 LYS 80 11.632 31.876 -1.443 570 HG3 LYS 80 HG3 LYS 80 12.979 33.011 -1.335 571 HD2 LYS 80 HD2 LYS 80 12.287 34.195 -3.227 572 HD3 LYS 80 HD3 LYS 80 11.261 32.874 -3.790 573 HE2 LYS 80 HE2 LYS 80 9.518 33.558 -2.560 574 HE3 LYS 80 HE3 LYS 80 10.525 33.882 -1.150 575 HZ1 LYS 80 HZ1 LYS 80 10.212 35.670 -3.501 576 HZ2 LYS 80 HZ2 LYS 80 11.186 35.981 -2.154 577 HZ3 LYS 80 HZ3 LYS 80 9.505 35.903 -1.982 578 H SER 81 H SER 81 15.248 32.316 -0.784 579 HA SER 81 HA SER 81 17.776 30.944 -0.998 580 HB2 SER 81 HB2 SER 81 17.347 32.950 0.490 581 HB3 SER 81 HB3 SER 81 16.412 31.879 1.533 582 HG SER 81 HG SER 81 18.377 31.721 2.389 583 H LEU 82 H LEU 82 18.096 29.515 1.236 584 HA LEU 82 HA LEU 82 16.613 27.124 0.670 585 HB2 LEU 82 HB2 LEU 82 18.489 27.586 2.975 586 HB3 LEU 82 HB3 LEU 82 18.042 26.050 2.235 587 HG LEU 82 HG LEU 82 19.523 28.129 0.665 588 HD11 LEU 82 HD11 LEU 82 20.748 26.062 2.486 589 HD12 LEU 82 HD12 LEU 82 20.805 27.810 2.710 590 HD13 LEU 82 HD13 LEU 82 21.621 27.071 1.333 591 HD21 LEU 82 HD21 LEU 82 20.140 25.311 0.299 592 HD22 LEU 82 HD22 LEU 82 19.680 26.533 -0.886 593 HD23 LEU 82 HD23 LEU 82 18.437 25.679 0.029 594 H ASP 83 H ASP 83 16.807 29.399 3.380 595 HA ASP 83 HA ASP 83 14.936 28.006 5.012 596 HB2 ASP 83 HB2 ASP 83 16.354 30.603 5.102 597 HB3 ASP 83 HB3 ASP 83 14.833 30.525 5.988 598 H GLU 84 H GLU 84 14.692 30.638 2.682 599 HA GLU 84 HA GLU 84 12.076 31.454 3.199 600 HB2 GLU 84 HB2 GLU 84 13.966 31.665 0.949 601 HB3 GLU 84 HB3 GLU 84 12.270 31.785 0.500 602 HG2 GLU 84 HG2 GLU 84 13.383 33.425 2.739 603 HG3 GLU 84 HG3 GLU 84 13.563 33.933 1.060 604 H ALA 85 H ALA 85 13.157 29.211 0.641 605 HA ALA 85 HA ALA 85 10.618 28.383 -0.164 606 HB1 ALA 85 HB1 ALA 85 11.971 26.240 -0.851 607 HB2 ALA 85 HB2 ALA 85 12.242 27.782 -1.665 608 HB3 ALA 85 HB3 ALA 85 13.357 27.239 -0.410 609 H GLN 86 H GLN 86 12.764 27.091 2.332 610 HA GLN 86 HA GLN 86 11.159 24.833 2.951 611 HB2 GLN 86 HB2 GLN 86 13.651 25.341 3.531 612 HB3 GLN 86 HB3 GLN 86 12.978 26.133 4.949 613 HG2 GLN 86 HG2 GLN 86 11.813 23.528 4.594 614 HG3 GLN 86 HG3 GLN 86 13.573 23.431 4.636 615 HE21 GLN 86 HE21 GLN 86 14.296 25.331 6.372 616 HE22 GLN 86 HE22 GLN 86 13.642 25.019 7.941 617 H ALA 87 H ALA 87 10.960 28.166 3.758 618 HA ALA 87 HA ALA 87 9.375 27.808 6.137 619 HB1 ALA 87 HB1 ALA 87 10.667 29.772 6.109 620 HB2 ALA 87 HB2 ALA 87 10.120 30.208 4.490 621 HB3 ALA 87 HB3 ALA 87 9.006 30.308 5.853 622 H ILE 88 H ILE 88 8.795 27.868 2.766 623 HA ILE 88 HA ILE 88 6.271 28.940 2.515 624 HB ILE 88 HB ILE 88 7.312 26.469 1.124 625 HG12 ILE 88 HG12 ILE 88 7.403 29.373 0.279 626 HG13 ILE 88 HG13 ILE 88 8.773 28.457 0.896 627 HG21 ILE 88 HG21 ILE 88 4.892 26.712 0.911 628 HG22 ILE 88 HG22 ILE 88 5.103 28.365 0.337 629 HG23 ILE 88 HG23 ILE 88 5.699 27.014 -0.627 630 HD11 ILE 88 HD11 ILE 88 8.787 28.664 -1.546 631 HD12 ILE 88 HD12 ILE 88 8.688 26.985 -1.015 632 HD13 ILE 88 HD13 ILE 88 7.247 27.807 -1.614 633 H LYS 89 H LYS 89 4.210 28.288 2.904 634 HA LYS 89 HA LYS 89 3.889 25.774 4.408 635 HB2 LYS 89 HB2 LYS 89 2.216 28.288 4.577 636 HB3 LYS 89 HB3 LYS 89 1.977 26.826 5.525 637 HG2 LYS 89 HG2 LYS 89 4.366 28.654 5.638 638 HG3 LYS 89 HG3 LYS 89 3.086 28.517 6.846 639 HD2 LYS 89 HD2 LYS 89 3.720 26.182 7.242 640 HD3 LYS 89 HD3 LYS 89 5.005 26.329 6.041 641 HE2 LYS 89 HE2 LYS 89 6.380 27.190 7.558 642 HE3 LYS 89 HE3 LYS 89 5.219 28.460 7.941 643 HZ1 LYS 89 HZ1 LYS 89 5.982 26.750 9.743 644 HZ2 LYS 89 HZ2 LYS 89 4.779 25.783 9.051 645 HZ3 LYS 89 HZ3 LYS 89 4.381 27.295 9.696 646 H ASN 90 H ASN 90 2.383 24.322 3.767 647 HA ASN 90 HA ASN 90 1.504 24.172 1.176 648 HB2 ASN 90 HB2 ASN 90 -0.144 22.499 1.972 649 HB3 ASN 90 HB3 ASN 90 1.456 22.250 2.664 650 HD21 ASN 90 HD21 ASN 90 -1.809 23.271 3.277 651 HD22 ASN 90 HD22 ASN 90 -1.718 23.208 5.001 652 H THR 91 H THR 91 -0.103 25.677 3.924 653 HA THR 91 HA THR 91 -2.630 26.109 2.922 654 HB THR 91 HB THR 91 -2.035 26.720 5.203 655 HG1 THR 91 HG1 THR 91 -3.803 27.820 4.092 656 HG21 THR 91 HG21 THR 91 -0.810 29.294 4.463 657 HG22 THR 91 HG22 THR 91 0.188 27.871 4.164 658 HG23 THR 91 HG23 THR 91 -0.425 28.193 5.785 659 H ASP 92 H ASP 92 0.338 27.864 2.219 660 HA ASP 92 HA ASP 92 -0.901 29.972 0.761 661 HB2 ASP 92 HB2 ASP 92 1.848 29.060 1.310 662 HB3 ASP 92 HB3 ASP 92 1.638 29.895 -0.227 663 H ILE 93 H ILE 93 0.535 26.873 -0.137 664 HA ILE 93 HA ILE 93 0.275 27.287 -2.951 665 HB ILE 93 HB ILE 93 0.691 24.759 -1.354 666 HG12 ILE 93 HG12 ILE 93 2.992 25.049 -2.584 667 HG13 ILE 93 HG13 ILE 93 2.493 26.732 -2.713 668 HG21 ILE 93 HG21 ILE 93 -0.074 23.791 -3.249 669 HG22 ILE 93 HG22 ILE 93 0.257 25.212 -4.238 670 HG23 ILE 93 HG23 ILE 93 1.568 24.115 -3.803 671 HD11 ILE 93 HD11 ILE 93 2.217 25.585 -0.035 672 HD12 ILE 93 HD12 ILE 93 3.872 25.682 -0.638 673 HD13 ILE 93 HD13 ILE 93 2.878 27.136 -0.550 674 H ALA 94 H ALA 94 -1.797 26.073 -0.441 675 HA ALA 94 HA ALA 94 -3.629 24.690 -2.131 676 HB1 ALA 94 HB1 ALA 94 -5.003 24.463 -0.214 677 HB2 ALA 94 HB2 ALA 94 -3.335 24.336 0.347 678 HB3 ALA 94 HB3 ALA 94 -4.234 25.835 0.586 679 H GLU 95 H GLU 95 -3.644 27.910 -0.620 680 HA GLU 95 HA GLU 95 -6.116 28.648 -1.895 681 HB2 GLU 95 HB2 GLU 95 -4.102 30.324 -0.385 682 HB3 GLU 95 HB3 GLU 95 -5.691 30.871 -0.903 683 HG2 GLU 95 HG2 GLU 95 -5.334 28.501 0.898 684 HG3 GLU 95 HG3 GLU 95 -5.430 30.149 1.517 685 H GLU 96 H GLU 96 -2.751 28.840 -2.637 686 HA GLU 96 HA GLU 96 -2.673 31.016 -4.372 687 HB2 GLU 96 HB2 GLU 96 -1.039 28.635 -3.873 688 HB3 GLU 96 HB3 GLU 96 -0.937 29.222 -5.527 689 HG2 GLU 96 HG2 GLU 96 -0.557 31.024 -3.160 690 HG3 GLU 96 HG3 GLU 96 0.768 30.110 -3.879 691 H LEU 97 H LEU 97 -3.307 27.594 -5.122 692 HA LEU 97 HA LEU 97 -4.358 28.434 -7.737 693 HB2 LEU 97 HB2 LEU 97 -3.416 25.730 -6.797 694 HB3 LEU 97 HB3 LEU 97 -4.079 26.072 -8.394 695 HG LEU 97 HG LEU 97 -1.664 27.562 -7.460 696 HD11 LEU 97 HD11 LEU 97 -1.120 25.251 -6.977 697 HD12 LEU 97 HD12 LEU 97 -0.239 25.797 -8.404 698 HD13 LEU 97 HD13 LEU 97 -1.657 24.764 -8.585 699 HD21 LEU 97 HD21 LEU 97 -2.691 28.265 -9.522 700 HD22 LEU 97 HD22 LEU 97 -2.683 26.612 -10.135 701 HD23 LEU 97 HD23 LEU 97 -1.160 27.466 -9.883 702 H GLU 98 H GLU 98 -5.345 27.550 -4.689 703 HA GLU 98 HA GLU 98 -7.330 26.917 -3.777 704 HB2 GLU 98 HB2 GLU 98 -8.264 27.887 -6.474 705 HB3 GLU 98 HB3 GLU 98 -9.380 27.343 -5.229 706 HG2 GLU 98 HG2 GLU 98 -7.866 29.118 -3.843 707 HG3 GLU 98 HG3 GLU 98 -7.871 29.842 -5.451 708 H LEU 99 H LEU 99 -6.207 24.731 -4.038 709 HA LEU 99 HA LEU 99 -7.069 22.929 -6.042 710 HB2 LEU 99 HB2 LEU 99 -5.697 22.688 -3.411 711 HB3 LEU 99 HB3 LEU 99 -6.361 21.233 -4.150 712 HG LEU 99 HG LEU 99 -3.956 21.546 -4.604 713 HD11 LEU 99 HD11 LEU 99 -4.064 21.095 -6.976 714 HD12 LEU 99 HD12 LEU 99 -5.684 21.785 -7.063 715 HD13 LEU 99 HD13 LEU 99 -5.407 20.300 -6.154 716 HD21 LEU 99 HD21 LEU 99 -3.089 23.344 -5.777 717 HD22 LEU 99 HD22 LEU 99 -4.274 24.116 -4.722 718 HD23 LEU 99 HD23 LEU 99 -4.662 23.818 -6.417 719 HA PRO 100 HA PRO 100 -11.100 21.831 -4.666 720 HB2 PRO 100 HB2 PRO 100 -11.276 19.340 -5.730 721 HB3 PRO 100 HB3 PRO 100 -11.360 20.810 -6.708 722 HG2 PRO 100 HG2 PRO 100 -9.038 18.980 -6.235 723 HG3 PRO 100 HG3 PRO 100 -9.580 19.734 -7.746 724 HD2 PRO 100 HD2 PRO 100 -7.511 20.705 -6.293 725 HD3 PRO 100 HD3 PRO 100 -8.585 21.752 -7.243 726 HA PRO 101 HA PRO 101 -10.779 19.491 -0.952 727 HB2 PRO 101 HB2 PRO 101 -13.326 18.582 -0.711 728 HB3 PRO 101 HB3 PRO 101 -12.878 20.269 -0.432 729 HG2 PRO 101 HG2 PRO 101 -14.090 19.009 -2.861 730 HG3 PRO 101 HG3 PRO 101 -14.496 20.547 -2.078 731 HD2 PRO 101 HD2 PRO 101 -12.956 20.406 -4.301 732 HD3 PRO 101 HD3 PRO 101 -12.733 21.658 -3.063 733 H VAL 102 H VAL 102 -11.421 18.046 -3.948 734 HA VAL 102 HA VAL 102 -11.998 15.397 -3.262 735 HB VAL 102 HB VAL 102 -11.055 14.787 -5.463 736 HG11 VAL 102 HG11 VAL 102 -12.787 15.697 -6.659 737 HG12 VAL 102 HG12 VAL 102 -13.341 16.002 -5.012 738 HG13 VAL 102 HG13 VAL 102 -12.587 17.296 -5.943 739 HG21 VAL 102 HG21 VAL 102 -9.266 16.018 -6.061 740 HG22 VAL 102 HG22 VAL 102 -10.478 17.085 -6.772 741 HG23 VAL 102 HG23 VAL 102 -9.818 17.440 -5.175 742 H LYS 103 H LYS 103 -8.933 17.118 -3.470 743 HA LYS 103 HA LYS 103 -7.658 15.141 -1.814 744 HB2 LYS 103 HB2 LYS 103 -7.544 14.396 -4.328 745 HB3 LYS 103 HB3 LYS 103 -6.287 15.621 -4.433 746 HG2 LYS 103 HG2 LYS 103 -4.877 14.033 -3.787 747 HG3 LYS 103 HG3 LYS 103 -5.592 14.193 -2.181 748 HD2 LYS 103 HD2 LYS 103 -6.979 12.345 -2.482 749 HD3 LYS 103 HD3 LYS 103 -6.828 12.399 -4.240 750 HE2 LYS 103 HE2 LYS 103 -4.372 11.848 -3.891 751 HE3 LYS 103 HE3 LYS 103 -4.798 11.480 -2.220 752 HZ1 LYS 103 HZ1 LYS 103 -4.848 9.690 -4.191 753 HZ2 LYS 103 HZ2 LYS 103 -6.453 10.221 -4.241 754 HZ3 LYS 103 HZ3 LYS 103 -5.818 9.583 -2.809 755 H ILE 104 H ILE 104 -7.900 17.413 -0.801 756 HA ILE 104 HA ILE 104 -6.400 19.606 -1.542 757 HB ILE 104 HB ILE 104 -6.916 18.625 1.268 758 HG12 ILE 104 HG12 ILE 104 -8.950 18.969 -0.115 759 HG13 ILE 104 HG13 ILE 104 -8.845 20.098 1.231 760 HG21 ILE 104 HG21 ILE 104 -5.808 21.177 0.179 761 HG22 ILE 104 HG22 ILE 104 -6.746 21.189 1.672 762 HG23 ILE 104 HG23 ILE 104 -5.275 20.223 1.564 763 HD11 ILE 104 HD11 ILE 104 -8.161 21.863 -0.227 764 HD12 ILE 104 HD12 ILE 104 -8.036 20.750 -1.589 765 HD13 ILE 104 HD13 ILE 104 -9.613 21.114 -0.890 766 H HIS 105 H HIS 105 -5.337 16.588 -0.207 767 HA HIS 105 HA HIS 105 -2.873 17.303 0.876 768 HB2 HIS 105 HB2 HIS 105 -4.222 14.954 0.531 769 HB3 HIS 105 HB3 HIS 105 -2.891 14.759 -0.606 770 HD1 HIS 105 HD1 HIS 105 -2.749 16.400 2.810 771 HD2 HIS 105 HD2 HIS 105 -1.252 13.092 0.790 772 HE1 HIS 105 HE1 HIS 105 -1.092 15.346 4.381 773 H CYS 106 H CYS 106 -3.911 17.233 -2.396 774 HA CYS 106 HA CYS 106 -1.498 16.797 -3.738 775 HB2 CYS 106 HB2 CYS 106 -4.066 18.159 -4.408 776 HB3 CYS 106 HB3 CYS 106 -2.687 18.428 -5.467 777 HG CYS 106 HG CYS 106 -2.339 15.738 -6.100 778 H SER 107 H SER 107 -2.596 19.493 -1.908 779 HA SER 107 HA SER 107 -0.663 21.323 -3.085 780 HB2 SER 107 HB2 SER 107 -2.174 22.062 -0.631 781 HB3 SER 107 HB3 SER 107 -1.819 23.021 -2.068 782 HG SER 107 HG SER 107 -4.086 22.046 -1.571 783 H ILE 108 H ILE 108 -1.070 19.321 -0.267 784 HA ILE 108 HA ILE 108 0.907 20.512 1.367 785 HB ILE 108 HB ILE 108 0.112 17.604 1.406 786 HG12 ILE 108 HG12 ILE 108 -1.921 18.938 1.425 787 HG13 ILE 108 HG13 ILE 108 -1.634 18.281 3.032 788 HG21 ILE 108 HG21 ILE 108 0.541 17.965 3.884 789 HG22 ILE 108 HG22 ILE 108 1.952 17.955 2.828 790 HG23 ILE 108 HG23 ILE 108 1.306 19.485 3.421 791 HD11 ILE 108 HD11 ILE 108 -1.544 21.081 2.079 792 HD12 ILE 108 HD12 ILE 108 -2.172 20.411 3.585 793 HD13 ILE 108 HD13 ILE 108 -0.433 20.612 3.366 794 H LEU 109 H LEU 109 1.017 17.701 -0.812 795 HA LEU 109 HA LEU 109 3.728 17.084 -0.402 796 HB2 LEU 109 HB2 LEU 109 1.785 16.518 -2.609 797 HB3 LEU 109 HB3 LEU 109 3.474 16.036 -2.749 798 HG LEU 109 HG LEU 109 2.944 14.910 -0.399 799 HD11 LEU 109 HD11 LEU 109 0.759 15.320 0.059 800 HD12 LEU 109 HD12 LEU 109 0.560 13.857 -0.906 801 HD13 LEU 109 HD13 LEU 109 0.307 15.439 -1.642 802 HD21 LEU 109 HD21 LEU 109 3.203 12.987 -1.526 803 HD22 LEU 109 HD22 LEU 109 3.427 14.036 -2.927 804 HD23 LEU 109 HD23 LEU 109 1.847 13.318 -2.605 805 H ALA 110 H ALA 110 2.207 19.589 -2.189 806 HA ALA 110 HA ALA 110 4.192 20.089 -4.130 807 HB1 ALA 110 HB1 ALA 110 2.836 22.481 -3.194 808 HB2 ALA 110 HB2 ALA 110 2.807 21.710 -4.781 809 HB3 ALA 110 HB3 ALA 110 1.722 21.150 -3.508 810 H GLU 111 H GLU 111 3.678 21.436 -0.881 811 HA GLU 111 HA GLU 111 6.107 22.996 -1.031 812 HB2 GLU 111 HB2 GLU 111 5.549 23.686 1.258 813 HB3 GLU 111 HB3 GLU 111 4.183 23.891 0.171 814 HG2 GLU 111 HG2 GLU 111 2.911 22.467 1.316 815 HG3 GLU 111 HG3 GLU 111 4.218 21.298 1.495 816 H ASP 112 H ASP 112 5.151 19.872 0.050 817 HA ASP 112 HA ASP 112 7.350 19.488 1.864 818 HB2 ASP 112 HB2 ASP 112 5.395 17.532 0.639 819 HB3 ASP 112 HB3 ASP 112 6.592 17.109 1.860 820 H ALA 113 H ALA 113 6.768 19.048 -1.524 821 HA ALA 113 HA ALA 113 8.938 17.234 -1.984 822 HB1 ALA 113 HB1 ALA 113 7.543 16.974 -3.727 823 HB2 ALA 113 HB2 ALA 113 6.927 18.623 -3.615 824 HB3 ALA 113 HB3 ALA 113 8.464 18.309 -4.421 825 H ILE 114 H ILE 114 8.454 20.724 -2.380 826 HA ILE 114 HA ILE 114 10.959 21.289 -3.531 827 HB ILE 114 HB ILE 114 10.575 23.620 -2.780 828 HG12 ILE 114 HG12 ILE 114 8.156 22.404 -1.431 829 HG13 ILE 114 HG13 ILE 114 9.513 23.195 -0.637 830 HG21 ILE 114 HG21 ILE 114 8.874 24.043 -4.301 831 HG22 ILE 114 HG22 ILE 114 9.478 22.468 -4.815 832 HG23 ILE 114 HG23 ILE 114 7.992 22.577 -3.873 833 HD11 ILE 114 HD11 ILE 114 7.228 24.370 -2.115 834 HD12 ILE 114 HD12 ILE 114 7.992 24.882 -0.610 835 HD13 ILE 114 HD13 ILE 114 8.775 25.215 -2.154 836 H LYS 115 H LYS 115 9.892 21.066 -0.181 837 HA LYS 115 HA LYS 115 12.241 22.107 1.000 838 HB2 LYS 115 HB2 LYS 115 10.057 21.875 2.167 839 HB3 LYS 115 HB3 LYS 115 10.277 20.131 2.175 840 HG2 LYS 115 HG2 LYS 115 12.401 21.844 3.361 841 HG3 LYS 115 HG3 LYS 115 10.904 21.588 4.260 842 HD2 LYS 115 HD2 LYS 115 11.470 19.492 4.793 843 HD3 LYS 115 HD3 LYS 115 11.970 19.124 3.140 844 HE2 LYS 115 HE2 LYS 115 14.147 19.747 3.517 845 HE3 LYS 115 HE3 LYS 115 13.716 20.867 4.809 846 HZ1 LYS 115 HZ1 LYS 115 12.996 18.590 5.932 847 HZ2 LYS 115 HZ2 LYS 115 14.564 19.209 6.063 848 HZ3 LYS 115 HZ3 LYS 115 14.224 18.001 4.929 849 H ALA 116 H ALA 116 11.225 18.820 0.174 850 HA ALA 116 HA ALA 116 13.264 17.371 1.359 851 HB1 ALA 116 HB1 ALA 116 12.886 15.750 -0.582 852 HB2 ALA 116 HB2 ALA 116 11.501 16.138 0.440 853 HB3 ALA 116 HB3 ALA 116 11.671 16.901 -1.141 854 H ALA 117 H ALA 117 13.345 19.397 -1.462 855 HA ALA 117 HA ALA 117 15.834 18.364 -2.468 856 HB1 ALA 117 HB1 ALA 117 15.201 19.437 -4.301 857 HB2 ALA 117 HB2 ALA 117 13.793 20.055 -3.435 858 HB3 ALA 117 HB3 ALA 117 15.292 20.984 -3.458 859 H ILE 118 H ILE 118 14.806 21.133 -0.534 860 HA ILE 118 HA ILE 118 17.289 22.467 -0.469 861 HB ILE 118 HB ILE 118 15.065 22.504 1.575 862 HG12 ILE 118 HG12 ILE 118 15.673 24.347 -0.748 863 HG13 ILE 118 HG13 ILE 118 14.335 23.206 -0.659 864 HG21 ILE 118 HG21 ILE 118 17.375 24.399 1.169 865 HG22 ILE 118 HG22 ILE 118 16.035 24.645 2.287 866 HG23 ILE 118 HG23 ILE 118 17.150 23.301 2.530 867 HD11 ILE 118 HD11 ILE 118 14.576 25.888 0.420 868 HD12 ILE 118 HD12 ILE 118 13.139 24.919 0.091 869 HD13 ILE 118 HD13 ILE 118 14.012 24.716 1.610 870 H ALA 119 H ALA 119 15.923 19.892 1.495 871 HA ALA 119 HA ALA 119 18.012 19.952 3.459 872 HB1 ALA 119 HB1 ALA 119 15.579 18.390 2.969 873 HB2 ALA 119 HB2 ALA 119 16.890 17.493 3.738 874 HB3 ALA 119 HB3 ALA 119 16.275 18.968 4.484 875 H ASP 120 H ASP 120 17.544 18.454 0.378 876 HA ASP 120 HA ASP 120 19.378 16.313 0.667 877 HB2 ASP 120 HB2 ASP 120 17.702 16.340 -1.114 878 HB3 ASP 120 HB3 ASP 120 18.461 17.761 -1.827 879 H TYR 121 H TYR 121 19.713 19.673 -0.304 880 HA TYR 121 HA TYR 121 22.411 19.433 -1.204 881 HB2 TYR 121 HB2 TYR 121 21.108 21.247 -2.062 882 HB3 TYR 121 HB3 TYR 121 20.717 21.815 -0.443 883 HD1 TYR 121 HD2 TYR 121 24.026 20.796 -1.809 884 HD2 TYR 121 HD1 TYR 121 21.589 23.982 -0.390 885 HE1 TYR 121 HE2 TYR 121 25.968 22.303 -1.874 886 HE2 TYR 121 HE1 TYR 121 23.524 25.498 -0.452 887 HH TYR 121 HH TYR 121 25.677 25.692 -1.548 888 H LYS 122 H LYS 122 20.884 20.503 1.806 889 HA LYS 122 HA LYS 122 23.335 21.187 3.094 890 HB2 LYS 122 HB2 LYS 122 20.678 20.523 4.373 891 HB3 LYS 122 HB3 LYS 122 22.004 21.417 5.106 892 HG2 LYS 122 HG2 LYS 122 21.485 22.849 2.817 893 HG3 LYS 122 HG3 LYS 122 19.881 22.331 3.343 894 HD2 LYS 122 HD2 LYS 122 21.826 23.530 5.284 895 HD3 LYS 122 HD3 LYS 122 20.830 24.556 4.250 896 HE2 LYS 122 HE2 LYS 122 19.142 24.325 5.672 897 HE3 LYS 122 HE3 LYS 122 19.136 22.588 5.367 898 HZ1 LYS 122 HZ1 LYS 122 19.842 23.924 7.716 899 HZ2 LYS 122 HZ2 LYS 122 21.239 23.179 7.121 900 HZ3 LYS 122 HZ3 LYS 122 19.852 22.258 7.419 901 H SER 123 H SER 123 21.334 18.301 2.945 902 HA SER 123 HA SER 123 22.717 16.888 4.999 903 HB2 SER 123 HB2 SER 123 20.802 16.062 2.826 904 HB3 SER 123 HB3 SER 123 21.571 14.870 3.874 905 HG SER 123 HG SER 123 20.149 17.102 4.878 906 H LYS 124 H LYS 124 23.038 17.126 1.506 907 HA LYS 124 HA LYS 124 24.746 14.998 1.008 908 HB2 LYS 124 HB2 LYS 124 24.040 16.022 -0.928 909 HB3 LYS 124 HB3 LYS 124 24.268 17.642 -0.283 910 HG2 LYS 124 HG2 LYS 124 26.659 15.938 -0.777 911 HG3 LYS 124 HG3 LYS 124 25.845 16.702 -2.144 912 HD2 LYS 124 HD2 LYS 124 26.746 18.679 -1.657 913 HD3 LYS 124 HD3 LYS 124 26.193 18.578 0.017 914 HE2 LYS 124 HE2 LYS 124 28.292 18.267 0.667 915 HE3 LYS 124 HE3 LYS 124 28.340 16.767 -0.258 916 HZ1 LYS 124 HZ1 LYS 124 28.717 18.581 -2.181 917 HZ2 LYS 124 HZ2 LYS 124 29.976 17.817 -1.350 918 HZ3 LYS 124 HZ3 LYS 124 29.468 19.360 -0.881 919 H ARG 125 H ARG 125 25.369 18.025 2.582 920 HA ARG 125 HA ARG 125 28.255 17.474 2.593 921 HB2 ARG 125 HB2 ARG 125 28.560 19.790 3.253 922 HB3 ARG 125 HB3 ARG 125 27.561 19.709 1.808 923 HG2 ARG 125 HG2 ARG 125 25.727 20.515 2.860 924 HG3 ARG 125 HG3 ARG 125 26.147 19.767 4.402 925 HD2 ARG 125 HD2 ARG 125 26.483 21.993 4.876 926 HD3 ARG 125 HD3 ARG 125 28.101 21.499 4.377 927 HE ARG 125 HE ARG 125 26.699 22.418 2.129 928 HH11 ARG 125 HH11 ARG 125 28.077 23.616 5.093 929 HH12 ARG 125 HH12 ARG 125 28.388 25.199 4.462 930 HH21 ARG 125 HH21 ARG 125 27.103 24.499 1.286 931 HH22 ARG 125 HH22 ARG 125 27.832 25.701 2.297 932 H GLU 126 H GLU 126 25.550 16.989 4.442 933 HA GLU 126 HA GLU 126 26.662 17.551 7.033 934 HB2 GLU 126 HB2 GLU 126 24.615 16.956 7.892 935 HB3 GLU 126 HB3 GLU 126 24.150 17.404 6.257 936 HG2 GLU 126 HG2 GLU 126 23.079 15.435 6.316 937 HG3 GLU 126 HG3 GLU 126 24.664 14.798 5.884 938 H ALA 127 H ALA 127 26.817 14.965 4.799 939 HA ALA 127 HA ALA 127 28.466 13.440 6.635 940 HB1 ALA 127 HB1 ALA 127 26.006 12.211 5.395 941 HB2 ALA 127 HB2 ALA 127 27.236 11.353 6.325 942 HB3 ALA 127 HB3 ALA 127 26.232 12.576 7.106 943 H LYS 128 H LYS 128 30.253 13.199 5.466 944 HA LYS 128 HA LYS 128 30.232 11.723 3.028 945 HB2 LYS 128 HB2 LYS 128 29.571 13.965 2.191 946 HB3 LYS 128 HB3 LYS 128 31.062 14.625 2.851 947 HG2 LYS 128 HG2 LYS 128 31.430 12.330 1.066 948 HG3 LYS 128 HG3 LYS 128 30.742 13.765 0.301 949 HD2 LYS 128 HD2 LYS 128 32.676 14.984 1.602 950 HD3 LYS 128 HD3 LYS 128 33.411 13.379 1.575 951 HE2 LYS 128 HE2 LYS 128 32.708 13.522 -0.980 952 HE3 LYS 128 HE3 LYS 128 32.831 15.251 -0.659 953 HZ1 LYS 128 HZ1 LYS 128 35.085 15.003 -0.008 954 HZ2 LYS 128 HZ2 LYS 128 34.910 14.196 -1.484 955 HZ3 LYS 128 HZ3 LYS 128 34.991 13.314 -0.043 Start of MODEL 17 1 H1 MET 1 H MET 1 19.798 13.084 9.779 2 HA MET 1 HA MET 1 17.601 14.155 8.173 3 HB2 MET 1 HB2 MET 1 20.453 13.560 7.707 4 HB3 MET 1 HB3 MET 1 19.384 13.197 6.359 5 HG2 MET 1 HG2 MET 1 19.245 15.333 5.814 6 HG3 MET 1 HG3 MET 1 18.752 15.770 7.448 7 HE1 MET 1 HE1 MET 1 21.996 15.578 9.281 8 HE2 MET 1 HE2 MET 1 21.211 17.156 9.232 9 HE3 MET 1 HE3 MET 1 20.236 15.688 9.319 10 H ALA 2 H ALA 2 16.276 12.914 6.929 11 HA ALA 2 HA ALA 2 16.774 10.038 6.754 12 HB1 ALA 2 HB1 ALA 2 14.005 10.343 7.277 13 HB2 ALA 2 HB2 ALA 2 15.215 9.481 8.228 14 HB3 ALA 2 HB3 ALA 2 14.894 11.186 8.546 15 H TYR 3 H TYR 3 14.562 9.154 5.547 16 HA TYR 3 HA TYR 3 13.487 9.013 3.548 17 HB2 TYR 3 HB2 TYR 3 12.936 11.550 4.494 18 HB3 TYR 3 HB3 TYR 3 13.533 11.856 2.867 19 HD1 TYR 3 HD2 TYR 3 10.874 10.302 4.854 20 HD2 TYR 3 HD1 TYR 3 12.295 11.103 0.924 21 HE1 TYR 3 HE2 TYR 3 8.672 9.696 3.941 22 HE2 TYR 3 HE1 TYR 3 10.096 10.501 0.000 23 HH TYR 3 HH TYR 3 7.342 10.262 1.817 24 H SER 4 H SER 4 13.707 9.546 1.167 25 HA SER 4 HA SER 4 14.984 9.476 -0.714 26 HB2 SER 4 HB2 SER 4 16.345 11.612 0.902 27 HB3 SER 4 HB3 SER 4 17.017 11.109 -0.649 28 HG SER 4 HG SER 4 15.088 11.700 -1.637 29 H GLU 5 H GLU 5 15.633 7.330 -0.546 30 HA GLU 5 HA GLU 5 18.387 6.836 -0.516 31 HB2 GLU 5 HB2 GLU 5 17.126 6.773 2.088 32 HB3 GLU 5 HB3 GLU 5 17.781 5.195 1.672 33 HG2 GLU 5 HG2 GLU 5 19.482 7.601 1.269 34 HG3 GLU 5 HG3 GLU 5 19.236 6.991 2.905 35 H LYS 6 H LYS 6 18.447 5.333 -2.039 36 HA LYS 6 HA LYS 6 17.994 3.480 -3.278 37 HB2 LYS 6 HB2 LYS 6 18.452 2.482 -0.958 38 HB3 LYS 6 HB3 LYS 6 16.707 2.304 -0.822 39 HG2 LYS 6 HG2 LYS 6 16.759 0.432 -1.999 40 HG3 LYS 6 HG3 LYS 6 17.592 1.240 -3.329 41 HD2 LYS 6 HD2 LYS 6 19.724 0.949 -2.007 42 HD3 LYS 6 HD3 LYS 6 18.809 -0.099 -0.920 43 HE2 LYS 6 HE2 LYS 6 18.924 -1.811 -2.343 44 HE3 LYS 6 HE3 LYS 6 18.395 -0.811 -3.695 45 HZ1 LYS 6 HZ1 LYS 6 21.019 -1.701 -3.027 46 HZ2 LYS 6 HZ2 LYS 6 20.969 -0.019 -3.202 47 HZ3 LYS 6 HZ3 LYS 6 20.452 -1.016 -4.466 48 H VAL 7 H VAL 7 16.328 5.168 -4.112 49 HA VAL 7 HA VAL 7 13.701 3.844 -4.097 50 HB VAL 7 HB VAL 7 12.681 6.150 -4.364 51 HG11 VAL 7 HG11 VAL 7 14.018 5.619 -1.715 52 HG12 VAL 7 HG12 VAL 7 12.524 6.516 -1.996 53 HG13 VAL 7 HG13 VAL 7 12.580 4.778 -2.292 54 HG21 VAL 7 HG21 VAL 7 14.836 7.425 -2.878 55 HG22 VAL 7 HG22 VAL 7 15.308 6.962 -4.513 56 HG23 VAL 7 HG23 VAL 7 13.914 8.012 -4.262 57 H ILE 8 H ILE 8 14.869 2.930 -6.051 58 HA ILE 8 HA ILE 8 14.457 4.712 -8.363 59 HB ILE 8 HB ILE 8 16.135 3.290 -9.562 60 HG12 ILE 8 HG12 ILE 8 17.435 2.397 -7.108 61 HG13 ILE 8 HG13 ILE 8 15.865 1.639 -7.349 62 HG21 ILE 8 HG21 ILE 8 17.816 4.694 -8.981 63 HG22 ILE 8 HG22 ILE 8 16.510 5.502 -8.115 64 HG23 ILE 8 HG23 ILE 8 17.599 4.416 -7.253 65 HD11 ILE 8 HD11 ILE 8 18.360 1.073 -8.612 66 HD12 ILE 8 HD12 ILE 8 16.825 0.212 -8.732 67 HD13 ILE 8 HD13 ILE 8 17.174 1.548 -9.828 68 H ASP 9 H ASP 9 12.327 3.300 -7.357 69 HA ASP 9 HA ASP 9 12.039 0.994 -9.159 70 HB2 ASP 9 HB2 ASP 9 10.648 1.775 -6.607 71 HB3 ASP 9 HB3 ASP 9 9.941 0.595 -7.707 72 H HIS 10 H HIS 10 11.681 2.317 -11.014 73 HA HIS 10 HA HIS 10 8.898 3.134 -11.263 74 HB2 HIS 10 HB2 HIS 10 9.534 5.282 -12.349 75 HB3 HIS 10 HB3 HIS 10 9.953 5.220 -10.639 76 HD1 HIS 10 HD1 HIS 10 12.562 4.678 -10.148 77 HD2 HIS 10 HD2 HIS 10 11.605 5.907 -13.999 78 HE1 HIS 10 HE1 HIS 10 14.736 5.407 -11.181 79 H TYR 11 H TYR 11 8.274 3.504 -13.533 80 HA TYR 11 HA TYR 11 10.087 2.414 -15.536 81 HB2 TYR 11 HB2 TYR 11 7.898 0.915 -14.372 82 HB3 TYR 11 HB3 TYR 11 7.665 1.130 -16.103 83 HD1 TYR 11 HD1 TYR 11 10.119 0.850 -17.385 84 HD2 TYR 11 HD2 TYR 11 8.842 -1.109 -13.831 85 HE1 TYR 11 HE1 TYR 11 11.705 -0.977 -17.830 86 HE2 TYR 11 HE2 TYR 11 10.426 -2.941 -14.264 87 HH TYR 11 HH TYR 11 12.856 -2.942 -15.824 88 H GLU 12 H GLU 12 9.285 2.702 -17.738 89 HA GLU 12 HA GLU 12 8.526 4.087 -19.381 90 HB2 GLU 12 HB2 GLU 12 6.049 4.050 -17.648 91 HB3 GLU 12 HB3 GLU 12 6.106 4.596 -19.318 92 HG2 GLU 12 HG2 GLU 12 6.952 2.278 -19.895 93 HG3 GLU 12 HG3 GLU 12 6.490 1.816 -18.258 94 H ASN 13 H ASN 13 10.089 5.703 -18.660 95 HA ASN 13 HA ASN 13 9.121 7.892 -17.037 96 HB2 ASN 13 HB2 ASN 13 11.719 7.146 -18.296 97 HB3 ASN 13 HB3 ASN 13 11.442 8.847 -17.929 98 HD21 ASN 13 HD21 ASN 13 13.448 7.370 -16.731 99 HD22 ASN 13 HD22 ASN 13 13.088 7.190 -15.050 100 HA PRO 14 HA PRO 14 7.702 10.591 -20.192 101 HB2 PRO 14 HB2 PRO 14 8.621 13.005 -19.357 102 HB3 PRO 14 HB3 PRO 14 7.302 12.148 -18.550 103 HG2 PRO 14 HG2 PRO 14 10.198 12.300 -17.806 104 HG3 PRO 14 HG3 PRO 14 8.768 12.411 -16.764 105 HD2 PRO 14 HD2 PRO 14 10.229 10.143 -16.996 106 HD3 PRO 14 HD3 PRO 14 8.477 10.126 -16.705 107 H ARG 15 H ARG 15 8.599 12.700 -21.454 108 HA ARG 15 HA ARG 15 10.636 11.718 -23.157 109 HB2 ARG 15 HB2 ARG 15 9.193 14.342 -22.920 110 HB3 ARG 15 HB3 ARG 15 10.538 14.158 -24.038 111 HG2 ARG 15 HG2 ARG 15 8.100 12.395 -24.043 112 HG3 ARG 15 HG3 ARG 15 8.290 13.830 -25.053 113 HD2 ARG 15 HD2 ARG 15 10.335 12.823 -26.020 114 HD3 ARG 15 HD3 ARG 15 10.028 11.367 -25.074 115 HE ARG 15 HE ARG 15 8.426 10.764 -26.592 116 HH11 ARG 15 HH11 ARG 15 9.179 14.137 -27.011 117 HH12 ARG 15 HH12 ARG 15 8.238 14.302 -28.456 118 HH21 ARG 15 HH21 ARG 15 7.183 10.969 -28.493 119 HH22 ARG 15 HH22 ARG 15 7.102 12.500 -29.298 120 H ASN 16 H ASN 16 12.488 13.353 -23.780 121 HA ASN 16 HA ASN 16 14.216 13.466 -21.500 122 HB2 ASN 16 HB2 ASN 16 15.083 12.872 -23.714 123 HB3 ASN 16 HB3 ASN 16 14.634 14.461 -24.327 124 HD21 ASN 16 HD21 ASN 16 17.021 14.232 -24.864 125 HD22 ASN 16 HD22 ASN 16 18.126 14.880 -23.705 126 H VAL 17 H VAL 17 12.859 14.955 -20.241 127 HA VAL 17 HA VAL 17 13.804 17.667 -20.549 128 HB VAL 17 HB VAL 17 11.779 17.678 -21.955 129 HG11 VAL 17 HG11 VAL 17 9.866 17.511 -19.778 130 HG12 VAL 17 HG12 VAL 17 9.851 16.728 -21.359 131 HG13 VAL 17 HG13 VAL 17 10.738 15.998 -20.021 132 HG21 VAL 17 HG21 VAL 17 11.230 19.216 -19.431 133 HG22 VAL 17 HG22 VAL 17 12.541 19.643 -20.531 134 HG23 VAL 17 HG23 VAL 17 10.870 19.675 -21.096 135 H GLY 18 H GLY 18 14.032 18.660 -18.616 136 HA2 GLY 18 HA2 GLY 18 13.720 19.113 -16.362 137 HA3 GLY 18 HA3 GLY 18 12.432 17.918 -16.332 138 H SER 19 H SER 19 15.881 18.437 -16.060 139 HA SER 19 HA SER 19 16.252 16.433 -14.147 140 HB2 SER 19 HB2 SER 19 16.091 14.645 -15.575 141 HB3 SER 19 HB3 SER 19 16.598 15.583 -16.980 142 HG SER 19 HG SER 19 18.347 14.398 -16.593 143 H PHE 20 H PHE 20 18.447 16.253 -13.444 144 HA PHE 20 HA PHE 20 20.161 18.414 -14.480 145 HB2 PHE 20 HB2 PHE 20 21.121 18.558 -12.212 146 HB3 PHE 20 HB3 PHE 20 19.387 18.861 -12.208 147 HD1 PHE 20 HD1 PHE 20 17.835 17.090 -11.406 148 HD2 PHE 20 HD2 PHE 20 22.060 16.766 -11.001 149 HE1 PHE 20 HE1 PHE 20 17.534 15.344 -9.699 150 HE2 PHE 20 HE2 PHE 20 21.766 15.019 -9.294 151 HZ PHE 20 HZ PHE 20 19.501 14.305 -8.641 152 H ASP 21 H ASP 21 22.464 18.068 -14.398 153 HA ASP 21 HA ASP 21 23.258 15.594 -15.454 154 HB2 ASP 21 HB2 ASP 21 25.162 17.515 -14.131 155 HB3 ASP 21 HB3 ASP 21 25.447 16.468 -15.519 156 H ASN 22 H ASN 22 25.580 14.828 -14.255 157 HA ASN 22 HA ASN 22 24.701 13.113 -12.222 158 HB2 ASN 22 HB2 ASN 22 27.555 13.960 -12.760 159 HB3 ASN 22 HB3 ASN 22 27.026 12.485 -11.957 160 HD21 ASN 22 HD21 ASN 22 28.223 13.627 -14.738 161 HD22 ASN 22 HD22 ASN 22 27.599 12.461 -15.849 162 H ASN 23 H ASN 23 26.516 13.139 -10.192 163 HA ASN 23 HA ASN 23 25.434 14.849 -8.323 164 HB2 ASN 23 HB2 ASN 23 27.510 12.921 -8.388 165 HB3 ASN 23 HB3 ASN 23 28.175 14.364 -7.629 166 HD21 ASN 23 HD21 ASN 23 25.494 12.085 -7.513 167 HD22 ASN 23 HD22 ASN 23 25.183 12.258 -5.822 168 H ASP 24 H ASP 24 25.320 16.994 -8.597 169 HA ASP 24 HA ASP 24 27.503 18.494 -9.750 170 HB2 ASP 24 HB2 ASP 24 25.085 19.711 -8.440 171 HB3 ASP 24 HB3 ASP 24 26.049 20.338 -9.775 172 H GLU 25 H GLU 25 26.813 17.329 -6.708 173 HA GLU 25 HA GLU 25 27.715 17.685 -4.650 174 HB2 GLU 25 HB2 GLU 25 29.608 19.626 -5.972 175 HB3 GLU 25 HB3 GLU 25 29.857 18.728 -4.481 176 HG2 GLU 25 HG2 GLU 25 29.802 16.628 -5.832 177 HG3 GLU 25 HG3 GLU 25 29.779 17.633 -7.280 178 H ASN 26 H ASN 26 25.754 19.631 -6.042 179 HA ASN 26 HA ASN 26 25.445 21.357 -3.777 180 HB2 ASN 26 HB2 ASN 26 25.421 23.414 -5.449 181 HB3 ASN 26 HB3 ASN 26 26.910 22.894 -4.665 182 HD21 ASN 26 HD21 ASN 26 25.031 21.857 -7.495 183 HD22 ASN 26 HD22 ASN 26 26.367 21.854 -8.590 184 H VAL 27 H VAL 27 23.996 19.350 -5.435 185 HA VAL 27 HA VAL 27 21.659 20.994 -6.163 186 HB VAL 27 HB VAL 27 22.652 19.767 -8.074 187 HG11 VAL 27 HG11 VAL 27 23.278 17.796 -6.477 188 HG12 VAL 27 HG12 VAL 27 21.673 17.200 -6.906 189 HG13 VAL 27 HG13 VAL 27 22.878 17.477 -8.164 190 HG21 VAL 27 HG21 VAL 27 19.884 19.124 -7.124 191 HG22 VAL 27 HG22 VAL 27 20.396 20.257 -8.375 192 HG23 VAL 27 HG23 VAL 27 20.474 18.520 -8.672 193 H GLY 28 H GLY 28 19.733 20.565 -5.223 194 HA2 GLY 28 HA2 GLY 28 19.696 18.373 -3.248 195 HA3 GLY 28 HA3 GLY 28 18.785 19.868 -3.098 196 H SER 29 H SER 29 18.268 16.774 -3.433 197 HA SER 29 HA SER 29 16.182 17.034 -5.493 198 HB2 SER 29 HB2 SER 29 17.227 14.449 -4.333 199 HB3 SER 29 HB3 SER 29 16.283 14.672 -5.805 200 HG SER 29 HG SER 29 18.998 15.092 -5.342 201 H GLY 30 H GLY 30 14.084 16.855 -4.961 202 HA2 GLY 30 HA2 GLY 30 13.438 15.940 -2.228 203 HA3 GLY 30 HA3 GLY 30 12.711 17.388 -2.909 204 H MET 31 H MET 31 12.275 14.142 -2.365 205 HA MET 31 HA MET 31 10.181 14.004 -4.433 206 HB2 MET 31 HB2 MET 31 11.983 12.445 -4.961 207 HB3 MET 31 HB3 MET 31 11.870 11.741 -3.353 208 HG2 MET 31 HG2 MET 31 9.294 11.608 -4.474 209 HG3 MET 31 HG3 MET 31 10.423 11.081 -5.720 210 HE1 MET 31 HE1 MET 31 8.633 10.639 -2.665 211 HE2 MET 31 HE2 MET 31 8.166 9.062 -3.302 212 HE3 MET 31 HE3 MET 31 9.185 9.167 -1.865 213 H VAL 32 H VAL 32 8.183 13.822 -3.668 214 HA VAL 32 HA VAL 32 7.765 12.564 -1.046 215 HB VAL 32 HB VAL 32 6.136 14.265 -0.419 216 HG11 VAL 32 HG11 VAL 32 7.659 16.050 0.108 217 HG12 VAL 32 HG12 VAL 32 8.524 14.516 0.214 218 HG13 VAL 32 HG13 VAL 32 8.747 15.560 -1.190 219 HG21 VAL 32 HG21 VAL 32 5.172 15.374 -2.108 220 HG22 VAL 32 HG22 VAL 32 6.572 16.443 -2.025 221 HG23 VAL 32 HG23 VAL 32 6.545 15.114 -3.183 222 H GLY 33 H GLY 33 5.729 11.590 -0.743 223 HA2 GLY 33 HA2 GLY 33 3.742 11.656 -2.829 224 HA3 GLY 33 HA3 GLY 33 4.652 10.153 -2.787 225 H ALA 34 H ALA 34 2.444 9.291 -2.386 226 HA ALA 34 HA ALA 34 2.114 8.811 0.431 227 HB1 ALA 34 HB1 ALA 34 -0.500 9.486 -0.226 228 HB2 ALA 34 HB2 ALA 34 0.593 10.384 0.828 229 HB3 ALA 34 HB3 ALA 34 0.479 10.799 -0.882 230 HA PRO 35 HA PRO 35 0.767 4.942 -1.175 231 HB2 PRO 35 HB2 PRO 35 -0.511 3.976 1.017 232 HB3 PRO 35 HB3 PRO 35 1.250 4.081 0.899 233 HG2 PRO 35 HG2 PRO 35 -0.672 5.930 2.259 234 HG3 PRO 35 HG3 PRO 35 0.897 5.330 2.828 235 HD2 PRO 35 HD2 PRO 35 0.582 7.798 1.758 236 HD3 PRO 35 HD3 PRO 35 2.079 6.861 1.575 237 H ALA 36 H ALA 36 -1.701 6.627 0.778 238 HA ALA 36 HA ALA 36 -3.886 5.392 -0.581 239 HB1 ALA 36 HB1 ALA 36 -3.576 7.486 1.498 240 HB2 ALA 36 HB2 ALA 36 -5.095 7.434 0.603 241 HB3 ALA 36 HB3 ALA 36 -4.553 6.018 1.503 242 H CYS 37 H CYS 37 -1.958 8.212 -1.127 243 HA CYS 37 HA CYS 37 -3.869 9.445 -2.918 244 HB2 CYS 37 HB2 CYS 37 -0.990 10.149 -2.311 245 HB3 CYS 37 HB3 CYS 37 -2.087 11.120 -3.284 246 HG CYS 37 HG CYS 37 -3.906 11.321 -0.992 247 H GLY 38 H GLY 38 -1.187 7.265 -3.103 248 HA2 GLY 38 HA2 GLY 38 -0.139 6.237 -4.871 249 HA3 GLY 38 HA3 GLY 38 -1.706 6.359 -5.657 250 H ALA 39 H ALA 39 0.979 8.554 -4.815 251 HA ALA 39 HA ALA 39 1.299 9.270 -7.602 252 HB1 ALA 39 HB1 ALA 39 -0.503 10.756 -6.226 253 HB2 ALA 39 HB2 ALA 39 0.979 11.670 -5.941 254 HB3 ALA 39 HB3 ALA 39 0.445 11.348 -7.590 255 H VAL 40 H VAL 40 3.151 10.745 -7.930 256 HA VAL 40 HA VAL 40 5.018 10.912 -5.690 257 HB VAL 40 HB VAL 40 5.860 9.683 -8.315 258 HG11 VAL 40 HG11 VAL 40 7.812 10.492 -7.477 259 HG12 VAL 40 HG12 VAL 40 7.238 10.463 -5.809 260 HG13 VAL 40 HG13 VAL 40 7.757 8.969 -6.591 261 HG21 VAL 40 HG21 VAL 40 4.479 8.045 -7.366 262 HG22 VAL 40 HG22 VAL 40 6.108 7.592 -6.865 263 HG23 VAL 40 HG23 VAL 40 5.030 8.402 -5.729 264 H MET 41 H MET 41 6.228 12.719 -5.733 265 HA MET 41 HA MET 41 6.256 14.291 -8.224 266 HB2 MET 41 HB2 MET 41 5.974 15.306 -5.391 267 HB3 MET 41 HB3 MET 41 6.204 16.332 -6.801 268 HG2 MET 41 HG2 MET 41 3.979 14.468 -7.070 269 HG3 MET 41 HG3 MET 41 3.801 15.595 -5.728 270 HE1 MET 41 HE1 MET 41 4.026 17.948 -5.808 271 HE2 MET 41 HE2 MET 41 3.654 18.999 -7.175 272 HE3 MET 41 HE3 MET 41 2.378 18.033 -6.432 273 H LYS 42 H LYS 42 8.274 14.119 -8.974 274 HA LYS 42 HA LYS 42 10.517 14.208 -7.088 275 HB2 LYS 42 HB2 LYS 42 10.530 13.543 -10.037 276 HB3 LYS 42 HB3 LYS 42 11.883 13.377 -8.926 277 HG2 LYS 42 HG2 LYS 42 10.158 11.835 -7.638 278 HG3 LYS 42 HG3 LYS 42 9.477 11.679 -9.259 279 HD2 LYS 42 HD2 LYS 42 11.004 9.914 -9.111 280 HD3 LYS 42 HD3 LYS 42 11.877 11.161 -10.005 281 HE2 LYS 42 HE2 LYS 42 13.327 11.561 -8.298 282 HE3 LYS 42 HE3 LYS 42 12.138 11.178 -7.054 283 HZ1 LYS 42 HZ1 LYS 42 13.200 9.044 -8.782 284 HZ2 LYS 42 HZ2 LYS 42 12.556 8.932 -7.223 285 HZ3 LYS 42 HZ3 LYS 42 14.101 9.580 -7.454 286 H LEU 43 H LEU 43 11.559 16.054 -6.785 287 HA LEU 43 HA LEU 43 11.775 17.953 -9.012 288 HB2 LEU 43 HB2 LEU 43 10.465 18.356 -6.425 289 HB3 LEU 43 HB3 LEU 43 11.639 19.604 -6.838 290 HG LEU 43 HG LEU 43 10.331 19.697 -9.094 291 HD11 LEU 43 HD11 LEU 43 8.579 18.070 -7.346 292 HD12 LEU 43 HD12 LEU 43 8.765 18.056 -9.099 293 HD13 LEU 43 HD13 LEU 43 7.814 19.323 -8.324 294 HD21 LEU 43 HD21 LEU 43 8.725 21.314 -8.038 295 HD22 LEU 43 HD22 LEU 43 10.424 21.577 -7.643 296 HD23 LEU 43 HD23 LEU 43 9.355 20.807 -6.470 297 H GLN 44 H GLN 44 13.518 19.535 -8.721 298 HA GLN 44 HA GLN 44 15.555 18.824 -6.759 299 HB2 GLN 44 HB2 GLN 44 17.274 18.920 -8.681 300 HB3 GLN 44 HB3 GLN 44 16.341 17.444 -8.469 301 HG2 GLN 44 HG2 GLN 44 15.057 19.347 -10.253 302 HG3 GLN 44 HG3 GLN 44 16.653 18.844 -10.808 303 HE21 GLN 44 HE21 GLN 44 15.667 17.774 -12.562 304 HE22 GLN 44 HE22 GLN 44 14.892 16.243 -12.354 305 H ILE 45 H ILE 45 17.136 20.452 -6.426 306 HA ILE 45 HA ILE 45 16.585 23.033 -7.719 307 HB ILE 45 HB ILE 45 16.704 24.226 -5.645 308 HG12 ILE 45 HG12 ILE 45 17.189 21.532 -4.354 309 HG13 ILE 45 HG13 ILE 45 18.352 22.847 -4.491 310 HG21 ILE 45 HG21 ILE 45 14.867 21.893 -5.156 311 HG22 ILE 45 HG22 ILE 45 14.663 23.564 -4.630 312 HG23 ILE 45 HG23 ILE 45 14.536 23.156 -6.341 313 HD11 ILE 45 HD11 ILE 45 16.374 22.368 -2.479 314 HD12 ILE 45 HD12 ILE 45 17.679 23.554 -2.510 315 HD13 ILE 45 HD13 ILE 45 16.116 23.944 -3.226 316 H LYS 46 H LYS 46 18.361 24.662 -7.114 317 HA LYS 46 HA LYS 46 20.967 23.359 -6.792 318 HB2 LYS 46 HB2 LYS 46 20.616 23.559 -9.201 319 HB3 LYS 46 HB3 LYS 46 20.255 25.271 -9.024 320 HG2 LYS 46 HG2 LYS 46 22.488 25.043 -9.837 321 HG3 LYS 46 HG3 LYS 46 22.559 25.615 -8.168 322 HD2 LYS 46 HD2 LYS 46 24.032 23.952 -7.863 323 HD3 LYS 46 HD3 LYS 46 22.616 22.898 -7.849 324 HE2 LYS 46 HE2 LYS 46 24.428 23.525 -10.171 325 HE3 LYS 46 HE3 LYS 46 24.196 21.969 -9.375 326 HZ1 LYS 46 HZ1 LYS 46 22.946 21.867 -11.335 327 HZ2 LYS 46 HZ2 LYS 46 22.309 23.421 -11.132 328 HZ3 LYS 46 HZ3 LYS 46 21.803 22.161 -10.123 329 H VAL 47 H VAL 47 21.957 24.319 -5.154 330 HA VAL 47 HA VAL 47 21.349 27.129 -4.562 331 HB VAL 47 HB VAL 47 22.879 25.260 -2.768 332 HG11 VAL 47 HG11 VAL 47 22.080 26.764 -1.014 333 HG12 VAL 47 HG12 VAL 47 22.986 27.642 -2.248 334 HG13 VAL 47 HG13 VAL 47 21.224 27.722 -2.222 335 HG21 VAL 47 HG21 VAL 47 21.038 24.007 -2.590 336 HG22 VAL 47 HG22 VAL 47 20.326 25.378 -1.739 337 HG23 VAL 47 HG23 VAL 47 20.056 25.178 -3.470 338 H ASN 48 H ASN 48 22.947 28.671 -4.342 339 HA ASN 48 HA ASN 48 25.521 27.966 -5.559 340 HB2 ASN 48 HB2 ASN 48 25.673 30.591 -5.607 341 HB3 ASN 48 HB3 ASN 48 24.693 29.737 -6.796 342 HD21 ASN 48 HD21 ASN 48 24.450 31.179 -3.567 343 HD22 ASN 48 HD22 ASN 48 22.862 31.824 -3.788 344 H ASP 49 H ASP 49 27.265 29.725 -4.735 345 HA ASP 49 HA ASP 49 28.081 28.895 -2.219 346 HB2 ASP 49 HB2 ASP 49 28.838 31.133 -4.032 347 HB3 ASP 49 HB3 ASP 49 29.404 31.208 -2.366 348 H GLU 50 H GLU 50 26.210 31.744 -3.144 349 HA GLU 50 HA GLU 50 26.194 33.004 -0.629 350 HB2 GLU 50 HB2 GLU 50 25.252 33.634 -3.117 351 HB3 GLU 50 HB3 GLU 50 23.757 33.326 -2.244 352 HG2 GLU 50 HG2 GLU 50 25.864 35.377 -1.664 353 HG3 GLU 50 HG3 GLU 50 24.157 35.624 -2.031 354 H GLY 51 H GLY 51 24.559 30.222 -1.796 355 HA2 GLY 51 HA2 GLY 51 23.398 28.675 -0.479 356 HA3 GLY 51 HA3 GLY 51 23.273 29.885 0.790 357 H ILE 52 H ILE 52 22.364 30.546 -2.517 358 HA ILE 52 HA ILE 52 19.532 30.510 -1.698 359 HB ILE 52 HB ILE 52 21.019 32.567 -3.309 360 HG12 ILE 52 HG12 ILE 52 19.638 34.060 -1.739 361 HG13 ILE 52 HG13 ILE 52 19.284 32.586 -0.845 362 HG21 ILE 52 HG21 ILE 52 18.096 31.907 -3.357 363 HG22 ILE 52 HG22 ILE 52 18.668 33.544 -3.672 364 HG23 ILE 52 HG23 ILE 52 19.189 32.215 -4.707 365 HD11 ILE 52 HD11 ILE 52 21.521 34.269 -0.612 366 HD12 ILE 52 HD12 ILE 52 21.205 32.751 0.228 367 HD13 ILE 52 HD13 ILE 52 22.092 32.747 -1.296 368 H ILE 53 H ILE 53 18.054 29.714 -3.139 369 HA ILE 53 HA ILE 53 18.929 27.858 -5.062 370 HB ILE 53 HB ILE 53 16.193 29.101 -4.759 371 HG12 ILE 53 HG12 ILE 53 16.870 27.992 -2.716 372 HG13 ILE 53 HG13 ILE 53 15.680 26.989 -3.538 373 HG21 ILE 53 HG21 ILE 53 15.514 26.887 -5.853 374 HG22 ILE 53 HG22 ILE 53 16.205 28.137 -6.886 375 HG23 ILE 53 HG23 ILE 53 17.198 26.776 -6.364 376 HD11 ILE 53 HD11 ILE 53 17.472 25.641 -2.633 377 HD12 ILE 53 HD12 ILE 53 17.481 25.575 -4.395 378 HD13 ILE 53 HD13 ILE 53 18.659 26.573 -3.544 379 H GLU 54 H GLU 54 19.701 28.201 -7.029 380 HA GLU 54 HA GLU 54 18.977 30.694 -8.415 381 HB2 GLU 54 HB2 GLU 54 21.053 30.608 -9.551 382 HB3 GLU 54 HB3 GLU 54 21.410 30.238 -7.870 383 HG2 GLU 54 HG2 GLU 54 22.604 28.571 -8.781 384 HG3 GLU 54 HG3 GLU 54 21.043 27.753 -8.806 385 H ASP 55 H ASP 55 18.976 27.229 -8.617 386 HA ASP 55 HA ASP 55 17.489 27.417 -11.142 387 HB2 ASP 55 HB2 ASP 55 20.069 26.224 -10.796 388 HB3 ASP 55 HB3 ASP 55 18.901 24.956 -11.159 389 H ALA 56 H ALA 56 15.813 25.975 -11.382 390 HA ALA 56 HA ALA 56 15.382 24.004 -9.255 391 HB1 ALA 56 HB1 ALA 56 13.051 25.643 -10.127 392 HB2 ALA 56 HB2 ALA 56 13.328 24.793 -8.606 393 HB3 ALA 56 HB3 ALA 56 14.170 26.307 -8.936 394 H ARG 57 H ARG 57 15.178 22.113 -10.246 395 HA ARG 57 HA ARG 57 13.773 22.022 -12.834 396 HB2 ARG 57 HB2 ARG 57 16.225 20.737 -11.851 397 HB3 ARG 57 HB3 ARG 57 15.120 19.641 -12.670 398 HG2 ARG 57 HG2 ARG 57 16.197 22.210 -13.814 399 HG3 ARG 57 HG3 ARG 57 16.782 20.588 -14.192 400 HD2 ARG 57 HD2 ARG 57 15.182 20.309 -15.708 401 HD3 ARG 57 HD3 ARG 57 13.936 20.705 -14.525 402 HE ARG 57 HE ARG 57 15.306 22.993 -15.614 403 HH11 ARG 57 HH11 ARG 57 12.650 20.775 -15.991 404 HH12 ARG 57 HH12 ARG 57 11.706 21.864 -16.952 405 HH21 ARG 57 HH21 ARG 57 14.073 24.436 -16.879 406 HH22 ARG 57 HH22 ARG 57 12.517 23.946 -17.458 407 H PHE 58 H PHE 58 12.648 19.931 -13.273 408 HA PHE 58 HA PHE 58 11.766 18.442 -10.947 409 HB2 PHE 58 HB2 PHE 58 9.433 18.931 -11.171 410 HB3 PHE 58 HB3 PHE 58 10.280 20.471 -11.080 411 HD1 PHE 58 HD2 PHE 58 10.522 21.875 -13.072 412 HD2 PHE 58 HD1 PHE 58 8.268 18.265 -13.144 413 HE1 PHE 58 HE2 PHE 58 9.458 22.585 -15.174 414 HE2 PHE 58 HE1 PHE 58 7.201 18.968 -15.246 415 HZ PHE 58 HZ PHE 58 7.795 21.131 -16.264 416 H LYS 59 H LYS 59 10.037 16.779 -11.680 417 HA LYS 59 HA LYS 59 10.552 15.895 -14.431 418 HB2 LYS 59 HB2 LYS 59 11.118 14.425 -11.900 419 HB3 LYS 59 HB3 LYS 59 10.510 13.503 -13.270 420 HG2 LYS 59 HG2 LYS 59 12.368 14.233 -14.632 421 HG3 LYS 59 HG3 LYS 59 12.956 15.260 -13.322 422 HD2 LYS 59 HD2 LYS 59 12.938 13.013 -11.969 423 HD3 LYS 59 HD3 LYS 59 13.004 12.286 -13.577 424 HE2 LYS 59 HE2 LYS 59 15.168 12.762 -13.772 425 HE3 LYS 59 HE3 LYS 59 14.888 14.454 -13.360 426 HZ1 LYS 59 HZ1 LYS 59 16.389 13.431 -11.789 427 HZ2 LYS 59 HZ2 LYS 59 15.257 12.227 -11.430 428 HZ3 LYS 59 HZ3 LYS 59 14.941 13.836 -11.013 429 H THR 60 H THR 60 8.868 14.844 -15.428 430 HA THR 60 HA THR 60 6.267 15.235 -14.269 431 HB THR 60 HB THR 60 6.907 13.793 -16.844 432 HG1 THR 60 HG1 THR 60 7.589 15.685 -17.496 433 HG21 THR 60 HG21 THR 60 4.621 14.889 -17.398 434 HG22 THR 60 HG22 THR 60 4.449 15.020 -15.648 435 HG23 THR 60 HG23 THR 60 4.653 13.437 -16.398 436 H TYR 61 H TYR 61 5.144 13.819 -13.110 437 HA TYR 61 HA TYR 61 5.120 11.026 -13.629 438 HB2 TYR 61 HB2 TYR 61 7.315 11.672 -12.217 439 HB3 TYR 61 HB3 TYR 61 6.169 11.497 -10.893 440 HD1 TYR 61 HD1 TYR 61 4.689 9.289 -11.034 441 HD2 TYR 61 HD2 TYR 61 8.484 9.801 -12.890 442 HE1 TYR 61 HE1 TYR 61 4.978 6.847 -11.103 443 HE2 TYR 61 HE2 TYR 61 8.783 7.361 -12.965 444 HH TYR 61 HH TYR 61 6.304 5.165 -11.674 445 H GLY 62 H GLY 62 3.202 10.259 -13.007 446 HA2 GLY 62 HA2 GLY 62 1.758 10.163 -10.871 447 HA3 GLY 62 HA3 GLY 62 1.624 11.895 -11.137 448 H CYS 63 H CYS 63 -0.686 11.494 -11.227 449 HA CYS 63 HA CYS 63 -1.524 10.481 -13.864 450 HB2 CYS 63 HB2 CYS 63 -3.653 9.816 -12.853 451 HB3 CYS 63 HB3 CYS 63 -2.304 9.018 -12.053 452 HG CYS 63 HG CYS 63 -4.121 11.650 -10.839 453 H GLY 64 H GLY 64 -0.725 13.196 -13.112 454 HA2 GLY 64 HA2 GLY 64 -3.251 14.672 -13.135 455 HA3 GLY 64 HA3 GLY 64 -1.648 15.361 -12.922 456 H SER 65 H SER 65 -3.375 16.597 -14.604 457 HA SER 65 HA SER 65 -2.614 15.755 -17.310 458 HB2 SER 65 HB2 SER 65 -5.059 16.262 -16.594 459 HB3 SER 65 HB3 SER 65 -4.573 17.954 -16.699 460 HG SER 65 HG SER 65 -5.462 17.149 -18.667 461 H ALA 66 H ALA 66 -2.256 18.321 -14.982 462 HA ALA 66 HA ALA 66 -0.219 19.542 -16.682 463 HB1 ALA 66 HB1 ALA 66 -1.326 21.801 -15.725 464 HB2 ALA 66 HB2 ALA 66 -1.716 21.111 -17.302 465 HB3 ALA 66 HB3 ALA 66 -2.770 20.807 -15.921 466 H ILE 67 H ILE 67 -1.858 19.546 -13.536 467 HA ILE 67 HA ILE 67 -1.088 19.806 -11.411 468 HB ILE 67 HB ILE 67 1.622 19.093 -12.527 469 HG12 ILE 67 HG12 ILE 67 0.614 16.783 -11.465 470 HG13 ILE 67 HG13 ILE 67 -0.826 17.493 -12.186 471 HG21 ILE 67 HG21 ILE 67 0.926 19.881 -10.003 472 HG22 ILE 67 HG22 ILE 67 0.841 18.124 -9.885 473 HG23 ILE 67 HG23 ILE 67 2.333 18.900 -10.414 474 HD11 ILE 67 HD11 ILE 67 -0.186 16.656 -14.126 475 HD12 ILE 67 HD12 ILE 67 1.196 17.752 -14.101 476 HD13 ILE 67 HD13 ILE 67 1.349 16.124 -13.440 477 H ALA 68 H ALA 68 -1.506 22.100 -11.619 478 HA ALA 68 HA ALA 68 0.564 23.921 -12.348 479 HB1 ALA 68 HB1 ALA 68 -2.024 24.252 -12.267 480 HB2 ALA 68 HB2 ALA 68 -1.715 24.725 -10.596 481 HB3 ALA 68 HB3 ALA 68 -0.947 25.604 -11.918 482 H SER 69 H SER 69 -0.318 22.282 -9.428 483 HA SER 69 HA SER 69 0.798 23.986 -7.512 484 HB2 SER 69 HB2 SER 69 1.117 21.082 -7.042 485 HB3 SER 69 HB3 SER 69 0.361 22.313 -6.031 486 HG SER 69 HG SER 69 -1.455 22.228 -7.396 487 H SER 70 H SER 70 2.270 21.174 -9.133 488 HA SER 70 HA SER 70 4.808 21.407 -7.993 489 HB2 SER 70 HB2 SER 70 4.082 19.409 -9.219 490 HB3 SER 70 HB3 SER 70 4.064 20.329 -10.724 491 HG SER 70 HG SER 70 6.186 20.248 -10.815 492 H SER 71 H SER 71 3.627 22.638 -11.118 493 HA SER 71 HA SER 71 6.016 23.933 -11.850 494 HB2 SER 71 HB2 SER 71 3.342 23.690 -12.885 495 HB3 SER 71 HB3 SER 71 3.870 25.369 -12.995 496 HG SER 71 HG SER 71 4.454 24.053 -14.827 497 H LEU 72 H LEU 72 3.500 24.797 -9.659 498 HA LEU 72 HA LEU 72 4.089 27.616 -9.640 499 HB2 LEU 72 HB2 LEU 72 1.859 26.979 -9.126 500 HB3 LEU 72 HB3 LEU 72 2.401 25.845 -7.891 501 HG LEU 72 HG LEU 72 3.257 27.896 -6.630 502 HD11 LEU 72 HD11 LEU 72 3.195 29.785 -7.825 503 HD12 LEU 72 HD12 LEU 72 1.479 29.810 -7.418 504 HD13 LEU 72 HD13 LEU 72 2.009 29.142 -8.962 505 HD21 LEU 72 HD21 LEU 72 1.175 28.195 -5.546 506 HD22 LEU 72 HD22 LEU 72 1.196 26.530 -6.126 507 HD23 LEU 72 HD23 LEU 72 0.274 27.756 -6.997 508 H VAL 73 H VAL 73 4.604 24.910 -7.385 509 HA VAL 73 HA VAL 73 6.017 26.370 -5.445 510 HB VAL 73 HB VAL 73 6.869 24.185 -4.665 511 HG11 VAL 73 HG11 VAL 73 4.348 25.128 -4.521 512 HG12 VAL 73 HG12 VAL 73 4.054 23.554 -5.264 513 HG13 VAL 73 HG13 VAL 73 4.893 23.657 -3.715 514 HG21 VAL 73 HG21 VAL 73 5.422 23.039 -7.050 515 HG22 VAL 73 HG22 VAL 73 7.174 23.190 -6.915 516 HG23 VAL 73 HG23 VAL 73 6.292 22.141 -5.806 517 H THR 74 H THR 74 6.995 24.986 -8.478 518 HA THR 74 HA THR 74 9.797 24.958 -7.985 519 HB THR 74 HB THR 74 9.778 25.099 -10.637 520 HG1 THR 74 HG1 THR 74 7.601 25.577 -10.900 521 HG21 THR 74 HG21 THR 74 8.587 22.588 -9.581 522 HG22 THR 74 HG22 THR 74 10.126 23.118 -8.902 523 HG23 THR 74 HG23 THR 74 9.981 22.822 -10.634 524 H GLU 75 H GLU 75 7.696 27.209 -9.781 525 HA GLU 75 HA GLU 75 9.713 29.058 -10.424 526 HB2 GLU 75 HB2 GLU 75 6.733 29.445 -10.102 527 HB3 GLU 75 HB3 GLU 75 7.819 30.652 -10.777 528 HG2 GLU 75 HG2 GLU 75 7.403 27.895 -11.908 529 HG3 GLU 75 HG3 GLU 75 6.603 29.356 -12.485 530 H TRP 76 H TRP 76 8.061 28.425 -7.488 531 HA TRP 76 HA TRP 76 8.464 31.020 -6.320 532 HB2 TRP 76 HB2 TRP 76 7.126 28.560 -5.602 533 HB3 TRP 76 HB3 TRP 76 8.093 29.155 -4.255 534 HD1 TRP 76 HD1 TRP 76 4.722 29.241 -5.001 535 HE1 TRP 76 HE1 TRP 76 3.548 31.442 -4.365 536 HE3 TRP 76 HE3 TRP 76 8.828 32.257 -4.572 537 HZ2 TRP 76 HZ2 TRP 76 4.267 34.104 -3.763 538 HZ3 TRP 76 HZ3 TRP 76 8.499 34.618 -3.963 539 HH2 TRP 76 HH2 TRP 76 6.265 35.521 -3.568 540 H VAL 77 H VAL 77 9.979 27.824 -5.955 541 HA VAL 77 HA VAL 77 11.930 28.673 -4.079 542 HB VAL 77 HB VAL 77 13.096 26.554 -4.642 543 HG11 VAL 77 HG11 VAL 77 10.124 26.322 -4.182 544 HG12 VAL 77 HG12 VAL 77 11.312 25.059 -3.853 545 HG13 VAL 77 HG13 VAL 77 11.358 26.571 -2.947 546 HG21 VAL 77 HG21 VAL 77 12.161 25.017 -6.239 547 HG22 VAL 77 HG22 VAL 77 10.832 26.123 -6.589 548 HG23 VAL 77 HG23 VAL 77 12.480 26.551 -7.049 549 H LYS 78 H LYS 78 11.759 28.697 -7.557 550 HA LYS 78 HA LYS 78 14.489 28.937 -8.160 551 HB2 LYS 78 HB2 LYS 78 11.947 29.353 -9.542 552 HB3 LYS 78 HB3 LYS 78 13.212 30.444 -10.092 553 HG2 LYS 78 HG2 LYS 78 14.480 27.999 -9.989 554 HG3 LYS 78 HG3 LYS 78 12.861 27.605 -10.573 555 HD2 LYS 78 HD2 LYS 78 14.288 29.929 -11.773 556 HD3 LYS 78 HD3 LYS 78 14.784 28.300 -12.237 557 HE2 LYS 78 HE2 LYS 78 12.670 27.791 -13.121 558 HE3 LYS 78 HE3 LYS 78 11.906 29.154 -12.303 559 HZ1 LYS 78 HZ1 LYS 78 13.790 30.331 -13.857 560 HZ2 LYS 78 HZ2 LYS 78 12.147 30.201 -14.238 561 HZ3 LYS 78 HZ3 LYS 78 13.247 29.064 -14.839 562 H GLY 79 H GLY 79 15.578 30.348 -6.831 563 HA2 GLY 79 HA2 GLY 79 16.567 32.509 -6.754 564 HA3 GLY 79 HA3 GLY 79 15.064 33.188 -7.360 565 H LYS 80 H LYS 80 15.527 30.950 -4.656 566 HA LYS 80 HA LYS 80 14.904 33.075 -2.756 567 HB2 LYS 80 HB2 LYS 80 12.906 31.382 -3.703 568 HB3 LYS 80 HB3 LYS 80 13.360 30.686 -2.153 569 HG2 LYS 80 HG2 LYS 80 11.940 32.147 -1.262 570 HG3 LYS 80 HG3 LYS 80 13.179 33.363 -1.581 571 HD2 LYS 80 HD2 LYS 80 12.153 33.987 -3.635 572 HD3 LYS 80 HD3 LYS 80 11.062 32.600 -3.584 573 HE2 LYS 80 HE2 LYS 80 9.584 33.712 -2.344 574 HE3 LYS 80 HE3 LYS 80 10.827 34.213 -1.198 575 HZ1 LYS 80 HZ1 LYS 80 11.260 36.137 -2.388 576 HZ2 LYS 80 HZ2 LYS 80 9.578 36.007 -2.499 577 HZ3 LYS 80 HZ3 LYS 80 10.548 35.559 -3.809 578 H SER 81 H SER 81 15.922 32.828 -0.847 579 HA SER 81 HA SER 81 18.026 31.067 -0.525 580 HB2 SER 81 HB2 SER 81 18.066 31.750 1.822 581 HB3 SER 81 HB3 SER 81 17.736 33.141 0.790 582 HG SER 81 HG SER 81 16.010 33.400 1.942 583 H LEU 82 H LEU 82 18.205 29.535 1.449 584 HA LEU 82 HA LEU 82 16.492 27.332 0.966 585 HB2 LEU 82 HB2 LEU 82 18.239 27.650 3.386 586 HB3 LEU 82 HB3 LEU 82 17.764 26.164 2.567 587 HG LEU 82 HG LEU 82 19.649 28.240 1.451 588 HD11 LEU 82 HD11 LEU 82 20.280 25.492 2.510 589 HD12 LEU 82 HD12 LEU 82 20.515 26.983 3.421 590 HD13 LEU 82 HD13 LEU 82 21.418 26.709 1.931 591 HD21 LEU 82 HD21 LEU 82 19.778 25.624 0.266 592 HD22 LEU 82 HD22 LEU 82 19.502 27.188 -0.500 593 HD23 LEU 82 HD23 LEU 82 18.142 26.272 0.151 594 H ASP 83 H ASP 83 16.822 29.528 3.744 595 HA ASP 83 HA ASP 83 14.809 28.396 5.328 596 HB2 ASP 83 HB2 ASP 83 16.282 30.956 5.258 597 HB3 ASP 83 HB3 ASP 83 14.718 31.007 6.066 598 H GLU 84 H GLU 84 14.665 31.030 2.954 599 HA GLU 84 HA GLU 84 12.018 31.784 3.292 600 HB2 GLU 84 HB2 GLU 84 13.909 31.852 0.977 601 HB3 GLU 84 HB3 GLU 84 12.220 32.260 0.708 602 HG2 GLU 84 HG2 GLU 84 13.870 33.582 2.836 603 HG3 GLU 84 HG3 GLU 84 13.810 34.174 1.177 604 H ALA 85 H ALA 85 13.262 29.518 0.829 605 HA ALA 85 HA ALA 85 10.783 28.649 -0.105 606 HB1 ALA 85 HB1 ALA 85 12.653 28.143 -1.429 607 HB2 ALA 85 HB2 ALA 85 13.493 27.355 -0.093 608 HB3 ALA 85 HB3 ALA 85 12.088 26.584 -0.828 609 H GLN 86 H GLN 86 12.804 27.397 2.517 610 HA GLN 86 HA GLN 86 11.151 25.155 3.085 611 HB2 GLN 86 HB2 GLN 86 13.640 25.709 3.767 612 HB3 GLN 86 HB3 GLN 86 12.868 26.404 5.186 613 HG2 GLN 86 HG2 GLN 86 11.629 24.028 5.121 614 HG3 GLN 86 HG3 GLN 86 13.163 23.588 4.373 615 HE21 GLN 86 HE21 GLN 86 12.222 25.774 7.007 616 HE22 GLN 86 HE22 GLN 86 13.312 25.113 8.173 617 H ALA 87 H ALA 87 10.813 28.471 3.685 618 HA ALA 87 HA ALA 87 9.214 28.191 6.082 619 HB1 ALA 87 HB1 ALA 87 10.655 30.162 5.723 620 HB2 ALA 87 HB2 ALA 87 9.644 30.624 4.353 621 HB3 ALA 87 HB3 ALA 87 8.964 30.592 5.980 622 H ILE 88 H ILE 88 8.720 28.082 2.704 623 HA ILE 88 HA ILE 88 6.190 29.114 2.338 624 HB ILE 88 HB ILE 88 7.339 26.616 1.087 625 HG12 ILE 88 HG12 ILE 88 7.232 29.421 -0.029 626 HG13 ILE 88 HG13 ILE 88 8.628 28.781 0.831 627 HG21 ILE 88 HG21 ILE 88 5.705 27.430 -0.790 628 HG22 ILE 88 HG22 ILE 88 5.117 26.434 0.541 629 HG23 ILE 88 HG23 ILE 88 4.856 28.178 0.563 630 HD11 ILE 88 HD11 ILE 88 8.928 28.645 -1.573 631 HD12 ILE 88 HD12 ILE 88 8.864 27.036 -0.855 632 HD13 ILE 88 HD13 ILE 88 7.463 27.675 -1.713 633 H LYS 89 H LYS 89 4.109 28.376 2.584 634 HA LYS 89 HA LYS 89 3.786 25.947 4.224 635 HB2 LYS 89 HB2 LYS 89 2.380 28.603 4.341 636 HB3 LYS 89 HB3 LYS 89 1.634 27.151 4.997 637 HG2 LYS 89 HG2 LYS 89 2.668 27.717 6.890 638 HG3 LYS 89 HG3 LYS 89 4.112 27.053 6.123 639 HD2 LYS 89 HD2 LYS 89 4.858 29.132 6.786 640 HD3 LYS 89 HD3 LYS 89 4.341 29.457 5.129 641 HE2 LYS 89 HE2 LYS 89 3.515 31.210 6.538 642 HE3 LYS 89 HE3 LYS 89 2.151 30.218 6.028 643 HZ1 LYS 89 HZ1 LYS 89 3.244 29.240 8.453 644 HZ2 LYS 89 HZ2 LYS 89 1.670 29.769 8.130 645 HZ3 LYS 89 HZ3 LYS 89 2.853 30.879 8.612 646 H ASN 90 H ASN 90 2.348 24.442 3.571 647 HA ASN 90 HA ASN 90 1.524 24.215 0.966 648 HB2 ASN 90 HB2 ASN 90 0.091 22.422 1.669 649 HB3 ASN 90 HB3 ASN 90 1.515 22.399 2.705 650 HD21 ASN 90 HD21 ASN 90 -1.858 22.577 2.570 651 HD22 ASN 90 HD22 ASN 90 -2.155 22.843 4.251 652 H THR 91 H THR 91 -0.174 25.732 3.651 653 HA THR 91 HA THR 91 -2.694 26.071 2.603 654 HB THR 91 HB THR 91 -2.145 26.761 4.874 655 HG1 THR 91 HG1 THR 91 -3.850 27.973 4.594 656 HG21 THR 91 HG21 THR 91 -0.589 28.301 5.434 657 HG22 THR 91 HG22 THR 91 -0.986 29.348 4.071 658 HG23 THR 91 HG23 THR 91 0.056 27.947 3.831 659 H ASP 92 H ASP 92 0.234 27.889 1.891 660 HA ASP 92 HA ASP 92 -1.058 29.905 0.342 661 HB2 ASP 92 HB2 ASP 92 1.768 29.064 0.820 662 HB3 ASP 92 HB3 ASP 92 1.423 30.105 -0.558 663 H ILE 93 H ILE 93 0.544 26.850 -0.409 664 HA ILE 93 HA ILE 93 0.374 27.158 -3.239 665 HB ILE 93 HB ILE 93 0.787 24.686 -1.556 666 HG12 ILE 93 HG12 ILE 93 3.142 25.049 -2.706 667 HG13 ILE 93 HG13 ILE 93 2.590 26.717 -2.803 668 HG21 ILE 93 HG21 ILE 93 0.206 23.627 -3.455 669 HG22 ILE 93 HG22 ILE 93 0.455 25.058 -4.454 670 HG23 ILE 93 HG23 ILE 93 1.834 24.070 -3.969 671 HD11 ILE 93 HD11 ILE 93 3.154 27.049 -0.696 672 HD12 ILE 93 HD12 ILE 93 2.107 25.728 -0.175 673 HD13 ILE 93 HD13 ILE 93 3.780 25.402 -0.626 674 H ALA 94 H ALA 94 -1.779 26.016 -0.779 675 HA ALA 94 HA ALA 94 -3.497 24.518 -2.508 676 HB1 ALA 94 HB1 ALA 94 -4.735 24.044 -0.648 677 HB2 ALA 94 HB2 ALA 94 -3.196 24.456 0.110 678 HB3 ALA 94 HB3 ALA 94 -4.498 25.644 0.055 679 H GLU 95 H GLU 95 -3.690 27.740 -1.009 680 HA GLU 95 HA GLU 95 -6.130 28.394 -2.376 681 HB2 GLU 95 HB2 GLU 95 -5.899 30.582 -1.355 682 HB3 GLU 95 HB3 GLU 95 -5.576 29.332 -0.161 683 HG2 GLU 95 HG2 GLU 95 -3.669 30.336 0.312 684 HG3 GLU 95 HG3 GLU 95 -3.100 29.953 -1.312 685 H GLU 96 H GLU 96 -2.753 28.678 -3.030 686 HA GLU 96 HA GLU 96 -2.641 30.830 -4.765 687 HB2 GLU 96 HB2 GLU 96 -1.045 28.430 -4.268 688 HB3 GLU 96 HB3 GLU 96 -0.937 28.998 -5.928 689 HG2 GLU 96 HG2 GLU 96 -0.533 30.833 -3.591 690 HG3 GLU 96 HG3 GLU 96 0.779 29.873 -4.273 691 H LEU 97 H LEU 97 -3.379 27.436 -5.531 692 HA LEU 97 HA LEU 97 -4.496 28.353 -8.100 693 HB2 LEU 97 HB2 LEU 97 -3.428 25.614 -7.442 694 HB3 LEU 97 HB3 LEU 97 -4.001 26.172 -9.012 695 HG LEU 97 HG LEU 97 -1.773 27.722 -7.874 696 HD11 LEU 97 HD11 LEU 97 -0.208 25.865 -8.801 697 HD12 LEU 97 HD12 LEU 97 -1.561 24.796 -8.433 698 HD13 LEU 97 HD13 LEU 97 -0.819 25.752 -7.150 699 HD21 LEU 97 HD21 LEU 97 -1.023 27.039 -10.337 700 HD22 LEU 97 HD22 LEU 97 -2.155 28.354 -10.020 701 HD23 LEU 97 HD23 LEU 97 -2.758 26.766 -10.498 702 H GLU 98 H GLU 98 -5.420 27.502 -5.123 703 HA GLU 98 HA GLU 98 -7.287 26.608 -4.170 704 HB2 GLU 98 HB2 GLU 98 -8.279 27.645 -6.805 705 HB3 GLU 98 HB3 GLU 98 -9.377 26.821 -5.706 706 HG2 GLU 98 HG2 GLU 98 -8.454 28.514 -3.957 707 HG3 GLU 98 HG3 GLU 98 -7.985 29.436 -5.384 708 H LEU 99 H LEU 99 -5.834 24.565 -4.692 709 HA LEU 99 HA LEU 99 -6.511 22.711 -6.623 710 HB2 LEU 99 HB2 LEU 99 -5.392 22.517 -3.871 711 HB3 LEU 99 HB3 LEU 99 -5.877 21.035 -4.691 712 HG LEU 99 HG LEU 99 -3.441 21.623 -4.856 713 HD11 LEU 99 HD11 LEU 99 -3.241 20.839 -7.066 714 HD12 LEU 99 HD12 LEU 99 -4.786 21.541 -7.542 715 HD13 LEU 99 HD13 LEU 99 -4.746 20.152 -6.456 716 HD21 LEU 99 HD21 LEU 99 -4.408 23.742 -6.768 717 HD22 LEU 99 HD22 LEU 99 -2.740 23.369 -6.331 718 HD23 LEU 99 HD23 LEU 99 -3.830 24.073 -5.135 719 HA PRO 100 HA PRO 100 -10.545 21.256 -5.667 720 HB2 PRO 100 HB2 PRO 100 -10.378 18.711 -6.598 721 HB3 PRO 100 HB3 PRO 100 -10.463 20.120 -7.663 722 HG2 PRO 100 HG2 PRO 100 -8.073 18.531 -6.810 723 HG3 PRO 100 HG3 PRO 100 -8.483 19.161 -8.416 724 HD2 PRO 100 HD2 PRO 100 -6.700 20.381 -6.784 725 HD3 PRO 100 HD3 PRO 100 -7.732 21.282 -7.915 726 HA PRO 101 HA PRO 101 -10.489 19.135 -1.809 727 HB2 PRO 101 HB2 PRO 101 -12.967 18.026 -1.815 728 HB3 PRO 101 HB3 PRO 101 -12.689 19.756 -1.582 729 HG2 PRO 101 HG2 PRO 101 -13.497 18.284 -4.060 730 HG3 PRO 101 HG3 PRO 101 -14.114 19.818 -3.419 731 HD2 PRO 101 HD2 PRO 101 -12.311 19.702 -5.436 732 HD3 PRO 101 HD3 PRO 101 -12.337 21.026 -4.254 733 H VAL 102 H VAL 102 -10.552 17.519 -4.760 734 HA VAL 102 HA VAL 102 -11.108 14.885 -4.209 735 HB VAL 102 HB VAL 102 -8.788 15.795 -5.914 736 HG11 VAL 102 HG11 VAL 102 -9.788 13.706 -7.216 737 HG12 VAL 102 HG12 VAL 102 -8.582 13.527 -5.940 738 HG13 VAL 102 HG13 VAL 102 -10.290 13.257 -5.586 739 HG21 VAL 102 HG21 VAL 102 -11.070 15.287 -7.490 740 HG22 VAL 102 HG22 VAL 102 -11.577 16.363 -6.188 741 HG23 VAL 102 HG23 VAL 102 -10.241 16.824 -7.244 742 H LYS 103 H LYS 103 -7.953 16.500 -3.846 743 HA LYS 103 HA LYS 103 -7.312 14.807 -1.593 744 HB2 LYS 103 HB2 LYS 103 -5.087 14.157 -2.668 745 HB3 LYS 103 HB3 LYS 103 -6.520 13.300 -3.220 746 HG2 LYS 103 HG2 LYS 103 -6.318 14.066 -5.308 747 HG3 LYS 103 HG3 LYS 103 -5.910 15.698 -4.773 748 HD2 LYS 103 HD2 LYS 103 -3.908 15.129 -5.691 749 HD3 LYS 103 HD3 LYS 103 -3.651 14.470 -4.073 750 HE2 LYS 103 HE2 LYS 103 -3.127 12.586 -5.182 751 HE3 LYS 103 HE3 LYS 103 -4.875 12.382 -5.290 752 HZ1 LYS 103 HZ1 LYS 103 -3.719 12.108 -7.433 753 HZ2 LYS 103 HZ2 LYS 103 -3.216 13.721 -7.356 754 HZ3 LYS 103 HZ3 LYS 103 -4.864 13.354 -7.463 755 H ILE 104 H ILE 104 -7.376 16.912 -0.609 756 HA ILE 104 HA ILE 104 -5.939 19.148 -1.287 757 HB ILE 104 HB ILE 104 -6.346 18.094 1.515 758 HG12 ILE 104 HG12 ILE 104 -8.460 18.280 0.321 759 HG13 ILE 104 HG13 ILE 104 -8.337 19.567 1.516 760 HG21 ILE 104 HG21 ILE 104 -6.358 20.695 1.890 761 HG22 ILE 104 HG22 ILE 104 -4.845 19.792 1.844 762 HG23 ILE 104 HG23 ILE 104 -5.379 20.689 0.423 763 HD11 ILE 104 HD11 ILE 104 -7.875 19.828 -1.445 764 HD12 ILE 104 HD12 ILE 104 -9.267 20.418 -0.536 765 HD13 ILE 104 HD13 ILE 104 -7.673 21.122 -0.264 766 H HIS 105 H HIS 105 -4.740 16.122 -0.151 767 HA HIS 105 HA HIS 105 -2.359 16.715 1.059 768 HB2 HIS 105 HB2 HIS 105 -3.516 14.443 -0.156 769 HB3 HIS 105 HB3 HIS 105 -1.899 14.601 -0.835 770 HD1 HIS 105 HD1 HIS 105 -2.869 15.419 2.729 771 HD2 HIS 105 HD2 HIS 105 -0.635 12.640 0.596 772 HE1 HIS 105 HE1 HIS 105 -1.649 14.064 4.461 773 H CYS 106 H CYS 106 -3.223 17.155 -2.273 774 HA CYS 106 HA CYS 106 -0.722 17.272 -3.482 775 HB2 CYS 106 HB2 CYS 106 -1.845 18.870 -5.100 776 HB3 CYS 106 HB3 CYS 106 -2.646 17.320 -4.876 777 HG CYS 106 HG CYS 106 -3.615 20.234 -3.365 778 H SER 107 H SER 107 -2.516 19.780 -1.748 779 HA SER 107 HA SER 107 -0.807 21.930 -2.275 780 HB2 SER 107 HB2 SER 107 -2.401 21.475 0.257 781 HB3 SER 107 HB3 SER 107 -1.837 23.023 -0.371 782 HG SER 107 HG SER 107 -4.117 21.840 -0.885 783 H ILE 108 H ILE 108 -0.738 19.505 0.298 784 HA ILE 108 HA ILE 108 1.496 20.652 1.654 785 HB ILE 108 HB ILE 108 0.312 17.879 1.803 786 HG12 ILE 108 HG12 ILE 108 -0.308 18.916 4.144 787 HG13 ILE 108 HG13 ILE 108 -0.104 20.443 3.291 788 HG21 ILE 108 HG21 ILE 108 1.624 18.135 4.124 789 HG22 ILE 108 HG22 ILE 108 2.335 17.395 2.691 790 HG23 ILE 108 HG23 ILE 108 2.689 19.077 3.081 791 HD11 ILE 108 HD11 ILE 108 -1.838 18.333 2.106 792 HD12 ILE 108 HD12 ILE 108 -2.442 19.314 3.443 793 HD13 ILE 108 HD13 ILE 108 -1.924 20.087 1.945 794 H LEU 109 H LEU 109 1.140 17.780 -0.427 795 HA LEU 109 HA LEU 109 3.765 16.939 -0.479 796 HB2 LEU 109 HB2 LEU 109 1.675 16.887 -2.644 797 HB3 LEU 109 HB3 LEU 109 3.229 16.067 -2.780 798 HG LEU 109 HG LEU 109 1.033 15.469 -0.800 799 HD11 LEU 109 HD11 LEU 109 2.104 13.423 -2.630 800 HD12 LEU 109 HD12 LEU 109 1.150 14.706 -3.375 801 HD13 LEU 109 HD13 LEU 109 0.450 13.718 -2.093 802 HD21 LEU 109 HD21 LEU 109 2.518 13.557 -0.162 803 HD22 LEU 109 HD22 LEU 109 3.106 15.145 0.332 804 HD23 LEU 109 HD23 LEU 109 3.813 14.340 -1.069 805 H ALA 110 H ALA 110 2.292 19.642 -2.122 806 HA ALA 110 HA ALA 110 4.331 20.124 -4.018 807 HB1 ALA 110 HB1 ALA 110 1.862 21.220 -3.442 808 HB2 ALA 110 HB2 ALA 110 2.993 22.530 -3.100 809 HB3 ALA 110 HB3 ALA 110 2.982 21.765 -4.689 810 H GLU 111 H GLU 111 3.770 21.385 -0.748 811 HA GLU 111 HA GLU 111 6.178 22.974 -0.808 812 HB2 GLU 111 HB2 GLU 111 5.608 23.567 1.487 813 HB3 GLU 111 HB3 GLU 111 4.205 23.735 0.441 814 HG2 GLU 111 HG2 GLU 111 3.081 22.030 1.431 815 HG3 GLU 111 HG3 GLU 111 4.552 21.155 1.852 816 H ASP 112 H ASP 112 5.289 19.777 0.089 817 HA ASP 112 HA ASP 112 7.488 19.334 1.889 818 HB2 ASP 112 HB2 ASP 112 5.540 17.449 0.554 819 HB3 ASP 112 HB3 ASP 112 6.787 16.923 1.680 820 H ALA 113 H ALA 113 6.907 19.026 -1.524 821 HA ALA 113 HA ALA 113 9.127 17.312 -2.077 822 HB1 ALA 113 HB1 ALA 113 7.277 18.961 -3.752 823 HB2 ALA 113 HB2 ALA 113 8.714 18.227 -4.464 824 HB3 ALA 113 HB3 ALA 113 7.487 17.211 -3.709 825 H ILE 114 H ILE 114 8.584 20.806 -2.169 826 HA ILE 114 HA ILE 114 11.106 21.469 -3.285 827 HB ILE 114 HB ILE 114 10.641 23.762 -2.492 828 HG12 ILE 114 HG12 ILE 114 8.220 22.463 -1.224 829 HG13 ILE 114 HG13 ILE 114 9.548 23.252 -0.380 830 HG21 ILE 114 HG21 ILE 114 8.039 22.897 -3.601 831 HG22 ILE 114 HG22 ILE 114 9.145 24.155 -4.149 832 HG23 ILE 114 HG23 ILE 114 9.481 22.464 -4.517 833 HD11 ILE 114 HD11 ILE 114 8.795 25.298 -1.871 834 HD12 ILE 114 HD12 ILE 114 7.261 24.428 -1.845 835 HD13 ILE 114 HD13 ILE 114 8.020 24.924 -0.332 836 H LYS 115 H LYS 115 9.927 21.095 0.012 837 HA LYS 115 HA LYS 115 12.241 22.133 1.291 838 HB2 LYS 115 HB2 LYS 115 9.717 21.013 2.072 839 HB3 LYS 115 HB3 LYS 115 11.001 20.244 2.996 840 HG2 LYS 115 HG2 LYS 115 11.485 22.122 4.147 841 HG3 LYS 115 HG3 LYS 115 11.139 23.182 2.778 842 HD2 LYS 115 HD2 LYS 115 8.837 21.746 3.956 843 HD3 LYS 115 HD3 LYS 115 9.564 23.014 4.944 844 HE2 LYS 115 HE2 LYS 115 9.101 24.671 3.365 845 HE3 LYS 115 HE3 LYS 115 8.863 23.499 2.069 846 HZ1 LYS 115 HZ1 LYS 115 6.773 24.467 2.867 847 HZ2 LYS 115 HZ2 LYS 115 7.061 23.829 4.407 848 HZ3 LYS 115 HZ3 LYS 115 6.819 22.791 3.094 849 H ALA 116 H ALA 116 11.202 18.868 0.402 850 HA ALA 116 HA ALA 116 13.162 17.368 1.644 851 HB1 ALA 116 HB1 ALA 116 11.733 16.956 -0.969 852 HB2 ALA 116 HB2 ALA 116 12.841 15.762 -0.290 853 HB3 ALA 116 HB3 ALA 116 11.387 16.222 0.597 854 H ALA 117 H ALA 117 13.401 19.412 -1.164 855 HA ALA 117 HA ALA 117 15.914 18.362 -2.068 856 HB1 ALA 117 HB1 ALA 117 15.864 20.034 -3.721 857 HB2 ALA 117 HB2 ALA 117 14.181 19.561 -3.487 858 HB3 ALA 117 HB3 ALA 117 14.784 21.055 -2.772 859 H ILE 118 H ILE 118 14.877 21.167 -0.174 860 HA ILE 118 HA ILE 118 17.363 22.433 0.052 861 HB ILE 118 HB ILE 118 15.073 22.412 2.021 862 HG12 ILE 118 HG12 ILE 118 15.808 24.352 -0.182 863 HG13 ILE 118 HG13 ILE 118 14.444 23.239 -0.198 864 HG21 ILE 118 HG21 ILE 118 17.439 24.269 1.807 865 HG22 ILE 118 HG22 ILE 118 16.053 24.502 2.871 866 HG23 ILE 118 HG23 ILE 118 17.121 23.119 3.106 867 HD11 ILE 118 HD11 ILE 118 14.040 24.631 2.119 868 HD12 ILE 118 HD12 ILE 118 14.714 25.855 1.043 869 HD13 ILE 118 HD13 ILE 118 13.268 24.963 0.568 870 H ALA 119 H ALA 119 15.952 19.763 1.833 871 HA ALA 119 HA ALA 119 18.013 19.738 3.847 872 HB1 ALA 119 HB1 ALA 119 15.641 18.041 3.219 873 HB2 ALA 119 HB2 ALA 119 16.897 17.413 4.287 874 HB3 ALA 119 HB3 ALA 119 16.050 18.903 4.703 875 H ASP 120 H ASP 120 17.590 18.441 0.696 876 HA ASP 120 HA ASP 120 19.423 16.249 0.995 877 HB2 ASP 120 HB2 ASP 120 17.644 17.258 -1.049 878 HB3 ASP 120 HB3 ASP 120 19.222 16.876 -1.731 879 H TYR 121 H TYR 121 19.583 19.568 -0.155 880 HA TYR 121 HA TYR 121 22.171 19.429 -1.281 881 HB2 TYR 121 HB2 TYR 121 20.795 21.265 -1.909 882 HB3 TYR 121 HB3 TYR 121 20.524 21.728 -0.232 883 HD1 TYR 121 HD2 TYR 121 23.075 21.597 -2.914 884 HD2 TYR 121 HD1 TYR 121 22.001 23.206 0.875 885 HE1 TYR 121 HE2 TYR 121 24.966 23.163 -3.050 886 HE2 TYR 121 HE1 TYR 121 23.888 24.778 0.750 887 HH TYR 121 HH TYR 121 26.412 24.484 -1.012 888 H LYS 122 H LYS 122 21.042 20.573 1.894 889 HA LYS 122 HA LYS 122 23.512 21.274 2.964 890 HB2 LYS 122 HB2 LYS 122 21.242 20.051 4.534 891 HB3 LYS 122 HB3 LYS 122 22.470 21.165 5.120 892 HG2 LYS 122 HG2 LYS 122 21.187 22.445 2.969 893 HG3 LYS 122 HG3 LYS 122 19.921 21.732 3.970 894 HD2 LYS 122 HD2 LYS 122 21.592 22.806 5.846 895 HD3 LYS 122 HD3 LYS 122 21.731 23.968 4.526 896 HE2 LYS 122 HE2 LYS 122 19.187 23.950 4.458 897 HE3 LYS 122 HE3 LYS 122 19.258 23.104 6.002 898 HZ1 LYS 122 HZ1 LYS 122 20.667 25.667 5.593 899 HZ2 LYS 122 HZ2 LYS 122 20.206 24.936 7.047 900 HZ3 LYS 122 HZ3 LYS 122 19.036 25.626 6.039 901 H SER 123 H SER 123 22.121 18.155 2.412 902 HA SER 123 HA SER 123 23.931 16.770 4.189 903 HB2 SER 123 HB2 SER 123 22.075 15.460 4.070 904 HB3 SER 123 HB3 SER 123 21.643 16.042 2.462 905 HG SER 123 HG SER 123 22.727 14.450 1.590 906 H LYS 124 H LYS 124 23.881 17.802 0.904 907 HA LYS 124 HA LYS 124 25.868 15.938 -0.025 908 HB2 LYS 124 HB2 LYS 124 24.089 17.829 -1.199 909 HB3 LYS 124 HB3 LYS 124 25.722 18.235 -1.709 910 HG2 LYS 124 HG2 LYS 124 25.255 16.756 -3.341 911 HG3 LYS 124 HG3 LYS 124 25.786 15.593 -2.124 912 HD2 LYS 124 HD2 LYS 124 23.344 15.483 -1.401 913 HD3 LYS 124 HD3 LYS 124 22.977 16.334 -2.903 914 HE2 LYS 124 HE2 LYS 124 24.438 14.436 -3.969 915 HE3 LYS 124 HE3 LYS 124 24.032 13.573 -2.486 916 HZ1 LYS 124 HZ1 LYS 124 22.110 13.046 -3.418 917 HZ2 LYS 124 HZ2 LYS 124 22.439 13.996 -4.777 918 HZ3 LYS 124 HZ3 LYS 124 21.675 14.681 -3.432 919 H ARG 125 H ARG 125 25.845 19.025 1.519 920 HA ARG 125 HA ARG 125 28.731 19.324 1.014 921 HB2 ARG 125 HB2 ARG 125 28.453 21.690 1.569 922 HB3 ARG 125 HB3 ARG 125 27.387 21.225 0.250 923 HG2 ARG 125 HG2 ARG 125 25.675 22.055 1.372 924 HG3 ARG 125 HG3 ARG 125 25.938 20.852 2.636 925 HD2 ARG 125 HD2 ARG 125 27.717 23.212 2.667 926 HD3 ARG 125 HD3 ARG 125 26.025 23.500 3.069 927 HE ARG 125 HE ARG 125 26.867 21.301 4.547 928 HH11 ARG 125 HH11 ARG 125 27.581 24.698 4.292 929 HH12 ARG 125 HH12 ARG 125 28.050 24.858 5.952 930 HH21 ARG 125 HH21 ARG 125 27.482 21.498 6.735 931 HH22 ARG 125 HH22 ARG 125 27.994 23.036 7.340 932 H GLU 126 H GLU 126 26.469 18.436 3.330 933 HA GLU 126 HA GLU 126 27.392 19.471 5.716 934 HB2 GLU 126 HB2 GLU 126 25.729 17.289 4.892 935 HB3 GLU 126 HB3 GLU 126 26.785 16.743 6.187 936 HG2 GLU 126 HG2 GLU 126 25.719 19.313 6.844 937 HG3 GLU 126 HG3 GLU 126 24.410 18.219 6.398 938 H ALA 127 H ALA 127 28.574 16.631 3.952 939 HA ALA 127 HA ALA 127 31.147 16.912 5.291 940 HB1 ALA 127 HB1 ALA 127 29.807 15.332 6.667 941 HB2 ALA 127 HB2 ALA 127 29.708 14.264 5.266 942 HB3 ALA 127 HB3 ALA 127 31.275 14.623 5.992 943 H LYS 128 H LYS 128 32.391 17.231 3.551 944 HA LYS 128 HA LYS 128 32.412 15.151 1.488 945 HB2 LYS 128 HB2 LYS 128 31.069 17.083 0.661 946 HB3 LYS 128 HB3 LYS 128 32.485 18.107 0.860 947 HG2 LYS 128 HG2 LYS 128 32.762 15.658 -0.793 948 HG3 LYS 128 HG3 LYS 128 31.859 17.020 -1.461 949 HD2 LYS 128 HD2 LYS 128 34.014 18.320 -0.516 950 HD3 LYS 128 HD3 LYS 128 34.744 16.753 -0.872 951 HE2 LYS 128 HE2 LYS 128 35.011 17.809 -2.889 952 HE3 LYS 128 HE3 LYS 128 33.452 17.024 -3.141 953 HZ1 LYS 128 HZ1 LYS 128 32.636 19.018 -3.593 954 HZ2 LYS 128 HZ2 LYS 128 34.078 19.785 -3.155 955 HZ3 LYS 128 HZ3 LYS 128 32.900 19.469 -1.983 Start of MODEL 18 1 H1 MET 1 H MET 1 -1.796 -3.866 -7.244 2 HA MET 1 HA MET 1 -1.253 -5.860 -5.315 3 HB2 MET 1 HB2 MET 1 0.107 -3.209 -4.999 4 HB3 MET 1 HB3 MET 1 -0.428 -4.090 -3.574 5 HG2 MET 1 HG2 MET 1 1.269 -5.416 -5.648 6 HG3 MET 1 HG3 MET 1 1.986 -4.396 -4.402 7 HE1 MET 1 HE1 MET 1 2.198 -7.575 -5.255 8 HE2 MET 1 HE2 MET 1 1.569 -8.681 -4.033 9 HE3 MET 1 HE3 MET 1 0.473 -7.943 -5.203 10 H ALA 2 H ALA 2 -2.023 -2.380 -5.119 11 HA ALA 2 HA ALA 2 -4.550 -3.102 -3.801 12 HB1 ALA 2 HB1 ALA 2 -4.132 -1.461 -2.369 13 HB2 ALA 2 HB2 ALA 2 -2.580 -1.199 -3.167 14 HB3 ALA 2 HB3 ALA 2 -4.003 -0.295 -3.687 15 H TYR 3 H TYR 3 -6.436 -1.723 -4.283 16 HA TYR 3 HA TYR 3 -7.087 -1.734 -6.982 17 HB2 TYR 3 HB2 TYR 3 -8.988 -0.201 -6.281 18 HB3 TYR 3 HB3 TYR 3 -8.863 -1.724 -5.406 19 HD1 TYR 3 HD1 TYR 3 -7.627 1.797 -5.138 20 HD2 TYR 3 HD2 TYR 3 -9.080 -1.652 -3.113 21 HE1 TYR 3 HE1 TYR 3 -7.574 3.031 -3.011 22 HE2 TYR 3 HE2 TYR 3 -9.031 -0.427 -0.980 23 HH TYR 3 HH TYR 3 -8.252 1.439 0.054 24 H SER 4 H SER 4 -7.793 0.208 -8.268 25 HA SER 4 HA SER 4 -6.504 2.716 -7.787 26 HB2 SER 4 HB2 SER 4 -5.317 2.284 -10.206 27 HB3 SER 4 HB3 SER 4 -4.499 2.110 -8.653 28 HG SER 4 HG SER 4 -5.934 -0.070 -9.663 29 H GLU 5 H GLU 5 -7.799 4.209 -8.616 30 HA GLU 5 HA GLU 5 -10.072 3.666 -10.114 31 HB2 GLU 5 HB2 GLU 5 -8.515 6.231 -9.782 32 HB3 GLU 5 HB3 GLU 5 -10.069 6.148 -10.599 33 HG2 GLU 5 HG2 GLU 5 -10.019 4.929 -7.935 34 HG3 GLU 5 HG3 GLU 5 -9.730 6.668 -7.965 35 H LYS 6 H LYS 6 -10.564 4.683 -12.296 36 HA LYS 6 HA LYS 6 -8.962 3.457 -14.263 37 HB2 LYS 6 HB2 LYS 6 -10.398 4.722 -15.877 38 HB3 LYS 6 HB3 LYS 6 -11.297 3.785 -14.691 39 HG2 LYS 6 HG2 LYS 6 -10.864 6.417 -13.672 40 HG3 LYS 6 HG3 LYS 6 -11.544 6.519 -15.298 41 HD2 LYS 6 HD2 LYS 6 -13.268 4.824 -14.531 42 HD3 LYS 6 HD3 LYS 6 -12.678 5.110 -12.892 43 HE2 LYS 6 HE2 LYS 6 -14.461 6.580 -13.053 44 HE3 LYS 6 HE3 LYS 6 -13.082 7.606 -13.443 45 HZ1 LYS 6 HZ1 LYS 6 -15.090 7.785 -14.939 46 HZ2 LYS 6 HZ2 LYS 6 -14.680 6.256 -15.536 47 HZ3 LYS 6 HZ3 LYS 6 -13.603 7.549 -15.713 48 H VAL 7 H VAL 7 -7.513 4.276 -15.742 49 HA VAL 7 HA VAL 7 -6.656 7.067 -15.355 50 HB VAL 7 HB VAL 7 -4.331 6.431 -15.567 51 HG11 VAL 7 HG11 VAL 7 -5.787 4.820 -13.475 52 HG12 VAL 7 HG12 VAL 7 -4.055 5.159 -13.461 53 HG13 VAL 7 HG13 VAL 7 -5.215 6.481 -13.323 54 HG21 VAL 7 HG21 VAL 7 -4.097 3.745 -15.252 55 HG22 VAL 7 HG22 VAL 7 -5.499 3.843 -16.318 56 HG23 VAL 7 HG23 VAL 7 -3.972 4.584 -16.799 57 H ILE 8 H ILE 8 -5.047 7.666 -17.200 58 HA ILE 8 HA ILE 8 -6.416 7.038 -19.698 59 HB ILE 8 HB ILE 8 -4.249 9.083 -19.213 60 HG12 ILE 8 HG12 ILE 8 -7.245 9.490 -19.322 61 HG13 ILE 8 HG13 ILE 8 -6.293 9.478 -17.842 62 HG21 ILE 8 HG21 ILE 8 -6.200 8.720 -21.483 63 HG22 ILE 8 HG22 ILE 8 -5.088 10.076 -21.302 64 HG23 ILE 8 HG23 ILE 8 -4.459 8.446 -21.541 65 HD11 ILE 8 HD11 ILE 8 -6.272 11.695 -18.145 66 HD12 ILE 8 HD12 ILE 8 -4.966 11.340 -19.277 67 HD13 ILE 8 HD13 ILE 8 -6.611 11.569 -19.871 68 H ASP 9 H ASP 9 -5.607 5.728 -21.197 69 HA ASP 9 HA ASP 9 -3.390 4.114 -20.825 70 HB2 ASP 9 HB2 ASP 9 -5.306 3.834 -22.492 71 HB3 ASP 9 HB3 ASP 9 -4.399 4.908 -23.553 72 H HIS 10 H HIS 10 -1.284 4.112 -21.605 73 HA HIS 10 HA HIS 10 -0.289 6.426 -23.048 74 HB2 HIS 10 HB2 HIS 10 -0.156 6.376 -20.244 75 HB3 HIS 10 HB3 HIS 10 1.464 5.964 -20.796 76 HD1 HIS 10 HD1 HIS 10 -0.618 8.797 -20.080 77 HD2 HIS 10 HD2 HIS 10 2.445 7.985 -22.767 78 HE1 HIS 10 HE1 HIS 10 0.223 11.042 -20.840 79 H TYR 11 H TYR 11 1.312 5.874 -24.396 80 HA TYR 11 HA TYR 11 2.275 3.129 -24.321 81 HB2 TYR 11 HB2 TYR 11 2.179 5.292 -26.371 82 HB3 TYR 11 HB3 TYR 11 3.416 4.051 -26.536 83 HD1 TYR 11 HD1 TYR 11 -0.218 4.099 -25.631 84 HD2 TYR 11 HD2 TYR 11 2.856 2.401 -28.035 85 HE1 TYR 11 HE1 TYR 11 -1.868 2.601 -26.673 86 HE2 TYR 11 HE2 TYR 11 1.214 0.900 -29.084 87 HH TYR 11 HH TYR 11 -2.088 1.337 -28.852 88 H GLU 12 H GLU 12 3.671 6.399 -24.547 89 HA GLU 12 HA GLU 12 5.907 5.578 -22.905 90 HB2 GLU 12 HB2 GLU 12 6.124 5.633 -25.765 91 HB3 GLU 12 HB3 GLU 12 7.132 6.903 -25.085 92 HG2 GLU 12 HG2 GLU 12 7.755 4.820 -23.467 93 HG3 GLU 12 HG3 GLU 12 7.441 3.993 -24.992 94 H ASN 13 H ASN 13 7.367 7.440 -22.427 95 HA ASN 13 HA ASN 13 6.251 10.077 -22.910 96 HB2 ASN 13 HB2 ASN 13 6.510 10.443 -20.302 97 HB3 ASN 13 HB3 ASN 13 5.013 9.817 -20.986 98 HD21 ASN 13 HD21 ASN 13 8.028 8.900 -19.432 99 HD22 ASN 13 HD22 ASN 13 7.442 7.423 -18.753 100 HA PRO 14 HA PRO 14 10.440 11.372 -22.744 101 HB2 PRO 14 HB2 PRO 14 10.241 13.850 -21.653 102 HB3 PRO 14 HB3 PRO 14 9.711 13.479 -23.298 103 HG2 PRO 14 HG2 PRO 14 8.088 13.719 -20.793 104 HG3 PRO 14 HG3 PRO 14 7.735 14.335 -22.418 105 HD2 PRO 14 HD2 PRO 14 6.616 12.071 -21.444 106 HD3 PRO 14 HD3 PRO 14 6.983 12.289 -23.167 107 H ARG 15 H ARG 15 11.916 10.535 -21.417 108 HA ARG 15 HA ARG 15 11.568 10.859 -18.515 109 HB2 ARG 15 HB2 ARG 15 12.853 8.760 -20.213 110 HB3 ARG 15 HB3 ARG 15 13.454 9.016 -18.580 111 HG2 ARG 15 HG2 ARG 15 11.683 8.026 -17.645 112 HG3 ARG 15 HG3 ARG 15 10.545 8.802 -18.748 113 HD2 ARG 15 HD2 ARG 15 10.666 7.111 -20.281 114 HD3 ARG 15 HD3 ARG 15 12.317 6.680 -19.837 115 HE ARG 15 HE ARG 15 10.725 6.045 -17.665 116 HH11 ARG 15 HH11 ARG 15 11.006 5.104 -21.005 117 HH12 ARG 15 HH12 ARG 15 10.424 3.494 -20.736 118 HH21 ARG 15 HH21 ARG 15 9.958 3.929 -17.298 119 HH22 ARG 15 HH22 ARG 15 9.828 2.827 -18.627 120 H ASN 16 H ASN 16 13.642 11.566 -21.202 121 HA ASN 16 HA ASN 16 15.755 12.547 -19.428 122 HB2 ASN 16 HB2 ASN 16 16.155 11.093 -21.547 123 HB3 ASN 16 HB3 ASN 16 15.891 12.594 -22.430 124 HD21 ASN 16 HD21 ASN 16 17.771 11.263 -19.741 125 HD22 ASN 16 HD22 ASN 16 19.200 12.180 -20.060 126 H VAL 17 H VAL 17 14.176 14.254 -18.747 127 HA VAL 17 HA VAL 17 14.824 16.710 -20.025 128 HB VAL 17 HB VAL 17 13.033 15.902 -21.555 129 HG11 VAL 17 HG11 VAL 17 11.214 16.254 -19.176 130 HG12 VAL 17 HG12 VAL 17 10.750 15.771 -20.809 131 HG13 VAL 17 HG13 VAL 17 11.734 14.695 -19.816 132 HG21 VAL 17 HG21 VAL 17 12.014 17.989 -21.778 133 HG22 VAL 17 HG22 VAL 17 12.025 18.287 -20.039 134 HG23 VAL 17 HG23 VAL 17 13.531 18.353 -20.954 135 H GLY 18 H GLY 18 14.369 18.492 -18.739 136 HA2 GLY 18 HA2 GLY 18 13.527 19.658 -16.905 137 HA3 GLY 18 HA3 GLY 18 12.662 18.209 -16.414 138 H SER 19 H SER 19 16.120 18.521 -17.071 139 HA SER 19 HA SER 19 16.800 18.540 -14.268 140 HB2 SER 19 HB2 SER 19 16.538 16.038 -15.653 141 HB3 SER 19 HB3 SER 19 18.232 16.296 -15.236 142 HG SER 19 HG SER 19 17.490 16.729 -13.069 143 H PHE 20 H PHE 20 19.353 17.932 -14.202 144 HA PHE 20 HA PHE 20 20.573 19.644 -16.263 145 HB2 PHE 20 HB2 PHE 20 20.668 20.552 -13.965 146 HB3 PHE 20 HB3 PHE 20 21.536 19.111 -13.445 147 HD1 PHE 20 HD2 PHE 20 21.746 21.962 -15.819 148 HD2 PHE 20 HD1 PHE 20 23.850 19.047 -13.540 149 HE1 PHE 20 HE2 PHE 20 23.877 23.036 -16.419 150 HE2 PHE 20 HE1 PHE 20 25.984 20.117 -14.135 151 HZ PHE 20 HZ PHE 20 26.000 22.114 -15.577 152 H ASP 21 H ASP 21 21.649 17.113 -13.991 153 HA ASP 21 HA ASP 21 22.635 15.473 -16.143 154 HB2 ASP 21 HB2 ASP 21 24.396 17.326 -15.604 155 HB3 ASP 21 HB3 ASP 21 24.722 16.349 -14.175 156 H ASN 22 H ASN 22 23.333 15.986 -12.679 157 HA ASN 22 HA ASN 22 21.865 13.754 -11.792 158 HB2 ASN 22 HB2 ASN 22 24.234 12.991 -13.012 159 HB3 ASN 22 HB3 ASN 22 24.641 13.000 -11.299 160 HD21 ASN 22 HD21 ASN 22 21.802 12.088 -13.228 161 HD22 ASN 22 HD22 ASN 22 21.612 10.525 -12.516 162 H ASN 23 H ASN 23 23.049 13.004 -9.523 163 HA ASN 23 HA ASN 23 22.642 15.096 -7.762 164 HB2 ASN 23 HB2 ASN 23 24.034 13.655 -6.147 165 HB3 ASN 23 HB3 ASN 23 22.586 12.932 -6.841 166 HD21 ASN 23 HD21 ASN 23 25.991 12.792 -6.577 167 HD22 ASN 23 HD22 ASN 23 26.234 11.371 -7.530 168 H ASP 24 H ASP 24 23.710 16.948 -7.617 169 HA ASP 24 HA ASP 24 26.649 16.892 -7.826 170 HB2 ASP 24 HB2 ASP 24 24.742 18.404 -9.360 171 HB3 ASP 24 HB3 ASP 24 25.764 19.502 -8.436 172 H GLU 25 H GLU 25 27.681 18.820 -6.745 173 HA GLU 25 HA GLU 25 26.954 18.877 -4.029 174 HB2 GLU 25 HB2 GLU 25 28.673 20.945 -5.389 175 HB3 GLU 25 HB3 GLU 25 28.749 20.405 -3.718 176 HG2 GLU 25 HG2 GLU 25 29.224 18.078 -4.938 177 HG3 GLU 25 HG3 GLU 25 29.853 19.177 -6.164 178 H ASN 26 H ASN 26 26.200 20.994 -6.712 179 HA ASN 26 HA ASN 26 24.702 22.752 -4.889 180 HB2 ASN 26 HB2 ASN 26 24.675 24.234 -7.054 181 HB3 ASN 26 HB3 ASN 26 26.117 24.177 -6.045 182 HD21 ASN 26 HD21 ASN 26 24.676 22.296 -8.690 183 HD22 ASN 26 HD22 ASN 26 26.136 22.145 -9.602 184 H VAL 27 H VAL 27 23.350 20.548 -5.184 185 HA VAL 27 HA VAL 27 21.123 21.314 -6.895 186 HB VAL 27 HB VAL 27 22.357 18.562 -7.080 187 HG11 VAL 27 HG11 VAL 27 20.123 18.158 -7.423 188 HG12 VAL 27 HG12 VAL 27 19.823 19.761 -8.096 189 HG13 VAL 27 HG13 VAL 27 20.643 18.536 -9.064 190 HG21 VAL 27 HG21 VAL 27 22.307 20.850 -9.043 191 HG22 VAL 27 HG22 VAL 27 23.725 20.130 -8.281 192 HG23 VAL 27 HG23 VAL 27 22.784 19.201 -9.448 193 H GLY 28 H GLY 28 19.132 20.522 -6.211 194 HA2 GLY 28 HA2 GLY 28 19.171 18.924 -3.729 195 HA3 GLY 28 HA3 GLY 28 18.191 20.376 -3.858 196 H SER 29 H SER 29 18.014 17.135 -3.909 197 HA SER 29 HA SER 29 15.836 17.066 -5.887 198 HB2 SER 29 HB2 SER 29 16.596 14.462 -4.877 199 HB3 SER 29 HB3 SER 29 16.599 15.059 -6.537 200 HG SER 29 HG SER 29 18.697 14.489 -5.854 201 H GLY 30 H GLY 30 13.823 17.013 -5.150 202 HA2 GLY 30 HA2 GLY 30 13.347 15.878 -2.465 203 HA3 GLY 30 HA3 GLY 30 12.603 17.388 -2.968 204 H MET 31 H MET 31 12.080 14.158 -2.607 205 HA MET 31 HA MET 31 9.872 14.211 -4.556 206 HB2 MET 31 HB2 MET 31 11.558 12.668 -5.364 207 HB3 MET 31 HB3 MET 31 11.620 11.863 -3.801 208 HG2 MET 31 HG2 MET 31 8.963 11.952 -5.039 209 HG3 MET 31 HG3 MET 31 10.169 11.017 -5.920 210 HE1 MET 31 HE1 MET 31 7.438 10.700 -4.330 211 HE2 MET 31 HE2 MET 31 7.488 9.108 -3.571 212 HE3 MET 31 HE3 MET 31 7.688 10.560 -2.589 213 H VAL 32 H VAL 32 7.913 13.903 -3.715 214 HA VAL 32 HA VAL 32 7.591 12.358 -1.263 215 HB VAL 32 HB VAL 32 6.246 14.076 -0.166 216 HG11 VAL 32 HG11 VAL 32 8.714 13.900 0.218 217 HG12 VAL 32 HG12 VAL 32 8.924 15.231 -0.920 218 HG13 VAL 32 HG13 VAL 32 8.024 15.483 0.576 219 HG21 VAL 32 HG21 VAL 32 6.301 16.405 -1.038 220 HG22 VAL 32 HG22 VAL 32 7.032 15.789 -2.520 221 HG23 VAL 32 HG23 VAL 32 5.405 15.285 -2.064 222 H GLY 33 H GLY 33 5.330 11.846 -0.799 223 HA2 GLY 33 HA2 GLY 33 3.166 12.478 -2.430 224 HA3 GLY 33 HA3 GLY 33 3.936 11.068 -3.140 225 H ALA 34 H ALA 34 1.779 10.129 -2.664 226 HA ALA 34 HA ALA 34 1.786 8.981 0.043 227 HB1 ALA 34 HB1 ALA 34 -0.286 10.606 -1.188 228 HB2 ALA 34 HB2 ALA 34 -0.885 9.045 -0.628 229 HB3 ALA 34 HB3 ALA 34 -0.069 10.131 0.496 230 HA PRO 35 HA PRO 35 1.494 5.113 -2.034 231 HB2 PRO 35 HB2 PRO 35 0.396 3.621 -0.049 232 HB3 PRO 35 HB3 PRO 35 2.080 4.158 -0.028 233 HG2 PRO 35 HG2 PRO 35 -0.297 5.322 1.371 234 HG3 PRO 35 HG3 PRO 35 1.344 5.053 1.988 235 HD2 PRO 35 HD2 PRO 35 0.480 7.480 1.155 236 HD3 PRO 35 HD3 PRO 35 2.168 6.958 0.985 237 H ALA 36 H ALA 36 -1.399 5.915 -0.100 238 HA ALA 36 HA ALA 36 -3.126 4.404 -1.836 239 HB1 ALA 36 HB1 ALA 36 -3.385 5.856 0.702 240 HB2 ALA 36 HB2 ALA 36 -4.820 5.886 -0.323 241 HB3 ALA 36 HB3 ALA 36 -4.125 4.344 0.174 242 H CYS 37 H CYS 37 -1.790 7.502 -1.919 243 HA CYS 37 HA CYS 37 -3.995 8.678 -3.417 244 HB2 CYS 37 HB2 CYS 37 -2.532 9.900 -1.661 245 HB3 CYS 37 HB3 CYS 37 -1.334 9.993 -2.947 246 HG CYS 37 HG CYS 37 -3.666 12.086 -2.344 247 H GLY 38 H GLY 38 -0.698 7.534 -3.898 248 HA2 GLY 38 HA2 GLY 38 0.298 6.782 -5.847 249 HA3 GLY 38 HA3 GLY 38 -1.193 7.144 -6.704 250 H ALA 39 H ALA 39 -0.479 9.876 -5.059 251 HA ALA 39 HA ALA 39 0.491 11.194 -7.437 252 HB1 ALA 39 HB1 ALA 39 -1.086 12.484 -6.344 253 HB2 ALA 39 HB2 ALA 39 -0.434 12.114 -4.747 254 HB3 ALA 39 HB3 ALA 39 0.429 13.218 -5.817 255 H VAL 40 H VAL 40 2.474 12.108 -7.763 256 HA VAL 40 HA VAL 40 4.481 11.849 -5.634 257 HB VAL 40 HB VAL 40 5.040 11.085 -8.499 258 HG11 VAL 40 HG11 VAL 40 6.936 9.917 -6.918 259 HG12 VAL 40 HG12 VAL 40 7.135 11.441 -7.785 260 HG13 VAL 40 HG13 VAL 40 6.656 11.447 -6.088 261 HG21 VAL 40 HG21 VAL 40 3.468 9.498 -7.481 262 HG22 VAL 40 HG22 VAL 40 5.048 8.765 -7.764 263 HG23 VAL 40 HG23 VAL 40 4.585 9.264 -6.136 264 H MET 41 H MET 41 5.536 13.692 -5.325 265 HA MET 41 HA MET 41 5.538 15.683 -7.492 266 HB2 MET 41 HB2 MET 41 5.733 16.059 -4.499 267 HB3 MET 41 HB3 MET 41 5.881 17.358 -5.676 268 HG2 MET 41 HG2 MET 41 3.451 15.606 -5.511 269 HG3 MET 41 HG3 MET 41 3.633 17.072 -4.552 270 HE1 MET 41 HE1 MET 41 4.303 19.345 -5.624 271 HE2 MET 41 HE2 MET 41 3.301 19.939 -6.949 272 HE3 MET 41 HE3 MET 41 2.545 19.330 -5.475 273 H LYS 42 H LYS 42 7.409 15.558 -8.563 274 HA LYS 42 HA LYS 42 9.895 15.290 -7.006 275 HB2 LYS 42 HB2 LYS 42 9.434 14.676 -9.930 276 HB3 LYS 42 HB3 LYS 42 10.932 14.427 -9.045 277 HG2 LYS 42 HG2 LYS 42 8.760 13.095 -7.719 278 HG3 LYS 42 HG3 LYS 42 8.847 12.608 -9.414 279 HD2 LYS 42 HD2 LYS 42 11.168 12.587 -7.485 280 HD3 LYS 42 HD3 LYS 42 10.207 11.174 -7.927 281 HE2 LYS 42 HE2 LYS 42 11.941 12.847 -9.737 282 HE3 LYS 42 HE3 LYS 42 12.215 11.178 -9.240 283 HZ1 LYS 42 HZ1 LYS 42 10.188 10.550 -10.423 284 HZ2 LYS 42 HZ2 LYS 42 11.316 11.261 -11.464 285 HZ3 LYS 42 HZ3 LYS 42 9.977 12.149 -10.934 286 H LEU 43 H LEU 43 11.033 17.090 -6.793 287 HA LEU 43 HA LEU 43 11.086 19.009 -9.017 288 HB2 LEU 43 HB2 LEU 43 10.275 19.456 -6.213 289 HB3 LEU 43 HB3 LEU 43 11.332 20.675 -6.921 290 HG LEU 43 HG LEU 43 9.620 20.818 -8.810 291 HD11 LEU 43 HD11 LEU 43 8.209 19.027 -8.650 292 HD12 LEU 43 HD12 LEU 43 7.280 20.232 -7.760 293 HD13 LEU 43 HD13 LEU 43 8.226 19.027 -6.887 294 HD21 LEU 43 HD21 LEU 43 8.561 22.557 -7.747 295 HD22 LEU 43 HD22 LEU 43 9.974 22.344 -6.712 296 HD23 LEU 43 HD23 LEU 43 8.414 21.681 -6.223 297 H GLN 44 H GLN 44 13.013 20.136 -9.290 298 HA GLN 44 HA GLN 44 15.254 19.257 -7.593 299 HB2 GLN 44 HB2 GLN 44 14.863 18.890 -10.416 300 HB3 GLN 44 HB3 GLN 44 16.268 19.913 -10.145 301 HG2 GLN 44 HG2 GLN 44 17.463 18.107 -9.722 302 HG3 GLN 44 HG3 GLN 44 16.460 17.802 -8.304 303 HE21 GLN 44 HE21 GLN 44 17.763 16.098 -10.472 304 HE22 GLN 44 HE22 GLN 44 16.496 15.034 -10.970 305 H ILE 45 H ILE 45 16.649 20.794 -6.907 306 HA ILE 45 HA ILE 45 16.266 23.528 -7.938 307 HB ILE 45 HB ILE 45 16.896 24.299 -5.607 308 HG12 ILE 45 HG12 ILE 45 16.129 21.459 -4.899 309 HG13 ILE 45 HG13 ILE 45 17.769 22.097 -4.848 310 HG21 ILE 45 HG21 ILE 45 14.300 22.783 -5.753 311 HG22 ILE 45 HG22 ILE 45 14.648 24.247 -4.835 312 HG23 ILE 45 HG23 ILE 45 14.588 24.304 -6.597 313 HD11 ILE 45 HD11 ILE 45 17.285 23.493 -3.038 314 HD12 ILE 45 HD12 ILE 45 15.543 23.326 -3.264 315 HD13 ILE 45 HD13 ILE 45 16.489 21.966 -2.661 316 H LYS 46 H LYS 46 18.146 24.975 -7.451 317 HA LYS 46 HA LYS 46 20.699 23.531 -7.344 318 HB2 LYS 46 HB2 LYS 46 19.591 24.838 -9.650 319 HB3 LYS 46 HB3 LYS 46 21.046 25.686 -9.141 320 HG2 LYS 46 HG2 LYS 46 21.453 22.834 -9.108 321 HG3 LYS 46 HG3 LYS 46 20.892 23.382 -10.689 322 HD2 LYS 46 HD2 LYS 46 22.681 25.200 -10.491 323 HD3 LYS 46 HD3 LYS 46 23.338 24.236 -9.166 324 HE2 LYS 46 HE2 LYS 46 24.539 23.485 -11.004 325 HE3 LYS 46 HE3 LYS 46 23.259 22.283 -10.851 326 HZ1 LYS 46 HZ1 LYS 46 22.056 23.306 -12.615 327 HZ2 LYS 46 HZ2 LYS 46 23.642 23.074 -13.153 328 HZ3 LYS 46 HZ3 LYS 46 23.126 24.615 -12.682 329 H VAL 47 H VAL 47 21.448 24.280 -5.445 330 HA VAL 47 HA VAL 47 21.153 27.087 -4.743 331 HB VAL 47 HB VAL 47 22.740 25.183 -3.079 332 HG11 VAL 47 HG11 VAL 47 22.185 26.565 -1.339 333 HG12 VAL 47 HG12 VAL 47 22.165 27.720 -2.672 334 HG13 VAL 47 HG13 VAL 47 20.652 27.047 -2.064 335 HG21 VAL 47 HG21 VAL 47 21.018 23.706 -3.317 336 HG22 VAL 47 HG22 VAL 47 20.357 24.708 -2.024 337 HG23 VAL 47 HG23 VAL 47 19.841 24.965 -3.691 338 H ASN 48 H ASN 48 22.867 28.505 -4.374 339 HA ASN 48 HA ASN 48 25.341 27.791 -5.783 340 HB2 ASN 48 HB2 ASN 48 25.657 30.082 -6.247 341 HB3 ASN 48 HB3 ASN 48 23.929 29.819 -6.468 342 HD21 ASN 48 HD21 ASN 48 22.493 30.524 -4.820 343 HD22 ASN 48 HD22 ASN 48 22.944 31.806 -3.753 344 H ASP 49 H ASP 49 26.958 29.832 -4.734 345 HA ASP 49 HA ASP 49 28.132 28.595 -2.548 346 HB2 ASP 49 HB2 ASP 49 28.445 31.125 -3.970 347 HB3 ASP 49 HB3 ASP 49 28.848 31.254 -2.260 348 H GLU 50 H GLU 50 26.747 31.849 -2.240 349 HA GLU 50 HA GLU 50 26.456 31.976 0.445 350 HB2 GLU 50 HB2 GLU 50 24.326 33.367 -0.062 351 HB3 GLU 50 HB3 GLU 50 25.875 33.926 -0.676 352 HG2 GLU 50 HG2 GLU 50 25.361 33.394 -2.854 353 HG3 GLU 50 HG3 GLU 50 24.155 32.195 -2.388 354 H GLY 51 H GLY 51 24.324 30.288 -1.794 355 HA2 GLY 51 HA2 GLY 51 23.240 28.258 -1.021 356 HA3 GLY 51 HA3 GLY 51 23.022 29.037 0.540 357 H ILE 52 H ILE 52 22.386 30.365 -2.680 358 HA ILE 52 HA ILE 52 19.543 30.572 -1.926 359 HB ILE 52 HB ILE 52 21.130 32.467 -3.662 360 HG12 ILE 52 HG12 ILE 52 21.716 32.750 -1.330 361 HG13 ILE 52 HG13 ILE 52 20.686 34.089 -1.824 362 HG21 ILE 52 HG21 ILE 52 18.229 32.235 -3.011 363 HG22 ILE 52 HG22 ILE 52 18.934 33.828 -3.279 364 HG23 ILE 52 HG23 ILE 52 19.011 32.606 -4.548 365 HD11 ILE 52 HD11 ILE 52 18.762 32.731 -0.844 366 HD12 ILE 52 HD12 ILE 52 20.015 31.756 -0.075 367 HD13 ILE 52 HD13 ILE 52 19.898 33.480 0.278 368 H ILE 53 H ILE 53 18.084 29.712 -3.269 369 HA ILE 53 HA ILE 53 18.834 28.031 -5.382 370 HB ILE 53 HB ILE 53 16.128 29.244 -4.810 371 HG12 ILE 53 HG12 ILE 53 16.973 27.930 -2.939 372 HG13 ILE 53 HG13 ILE 53 15.666 27.063 -3.739 373 HG21 ILE 53 HG21 ILE 53 15.394 27.108 -6.059 374 HG22 ILE 53 HG22 ILE 53 15.949 28.492 -6.998 375 HG23 ILE 53 HG23 ILE 53 17.028 27.124 -6.722 376 HD11 ILE 53 HD11 ILE 53 18.013 26.209 -4.990 377 HD12 ILE 53 HD12 ILE 53 18.369 26.249 -3.263 378 HD13 ILE 53 HD13 ILE 53 17.002 25.309 -3.860 379 H GLU 54 H GLU 54 19.564 28.564 -7.323 380 HA GLU 54 HA GLU 54 18.670 31.101 -8.521 381 HB2 GLU 54 HB2 GLU 54 21.018 31.198 -8.228 382 HB3 GLU 54 HB3 GLU 54 21.236 29.550 -8.800 383 HG2 GLU 54 HG2 GLU 54 20.067 31.537 -10.669 384 HG3 GLU 54 HG3 GLU 54 21.791 31.634 -10.311 385 H ASP 55 H ASP 55 18.775 27.680 -8.880 386 HA ASP 55 HA ASP 55 17.374 27.931 -11.450 387 HB2 ASP 55 HB2 ASP 55 19.890 26.512 -10.905 388 HB3 ASP 55 HB3 ASP 55 18.678 25.536 -11.732 389 H ALA 56 H ALA 56 15.649 26.597 -11.716 390 HA ALA 56 HA ALA 56 15.196 24.491 -9.723 391 HB1 ALA 56 HB1 ALA 56 12.934 26.283 -10.513 392 HB2 ALA 56 HB2 ALA 56 13.094 25.241 -9.099 393 HB3 ALA 56 HB3 ALA 56 14.022 26.737 -9.201 394 H ARG 57 H ARG 57 15.014 22.672 -10.849 395 HA ARG 57 HA ARG 57 13.659 22.754 -13.460 396 HB2 ARG 57 HB2 ARG 57 16.027 21.365 -12.470 397 HB3 ARG 57 HB3 ARG 57 14.895 20.284 -13.270 398 HG2 ARG 57 HG2 ARG 57 16.056 22.798 -14.453 399 HG3 ARG 57 HG3 ARG 57 16.568 21.149 -14.816 400 HD2 ARG 57 HD2 ARG 57 14.011 20.841 -15.371 401 HD3 ARG 57 HD3 ARG 57 14.082 22.588 -15.598 402 HE ARG 57 HE ARG 57 16.140 21.131 -16.989 403 HH11 ARG 57 HH11 ARG 57 12.889 22.368 -17.131 404 HH12 ARG 57 HH12 ARG 57 12.842 22.411 -18.863 405 HH21 ARG 57 HH21 ARG 57 16.090 21.182 -19.269 406 HH22 ARG 57 HH22 ARG 57 14.662 21.735 -20.078 407 H PHE 58 H PHE 58 12.051 21.270 -13.950 408 HA PHE 58 HA PHE 58 11.046 19.670 -11.690 409 HB2 PHE 58 HB2 PHE 58 9.606 21.606 -11.962 410 HB3 PHE 58 HB3 PHE 58 9.437 21.278 -13.684 411 HD1 PHE 58 HD1 PHE 58 9.035 19.353 -10.507 412 HD2 PHE 58 HD2 PHE 58 7.404 20.430 -14.288 413 HE1 PHE 58 HE1 PHE 58 7.054 17.969 -10.043 414 HE2 PHE 58 HE2 PHE 58 5.420 19.049 -13.830 415 HZ PHE 58 HZ PHE 58 5.243 17.817 -11.705 416 H LYS 59 H LYS 59 10.000 17.716 -12.205 417 HA LYS 59 HA LYS 59 10.253 16.810 -14.988 418 HB2 LYS 59 HB2 LYS 59 11.496 15.645 -12.551 419 HB3 LYS 59 HB3 LYS 59 10.845 14.520 -13.736 420 HG2 LYS 59 HG2 LYS 59 12.293 16.315 -15.259 421 HG3 LYS 59 HG3 LYS 59 13.274 16.095 -13.808 422 HD2 LYS 59 HD2 LYS 59 13.928 14.454 -15.439 423 HD3 LYS 59 HD3 LYS 59 13.084 13.636 -14.122 424 HE2 LYS 59 HE2 LYS 59 11.084 14.321 -15.933 425 HE3 LYS 59 HE3 LYS 59 12.428 13.776 -16.936 426 HZ1 LYS 59 HZ1 LYS 59 12.351 11.926 -14.967 427 HZ2 LYS 59 HZ2 LYS 59 11.657 11.745 -16.498 428 HZ3 LYS 59 HZ3 LYS 59 10.709 12.264 -15.196 429 H THR 60 H THR 60 8.777 15.219 -15.635 430 HA THR 60 HA THR 60 6.269 15.290 -14.256 431 HB THR 60 HB THR 60 5.513 13.724 -16.063 432 HG1 THR 60 HG1 THR 60 7.226 13.702 -17.846 433 HG21 THR 60 HG21 THR 60 5.202 15.448 -17.509 434 HG22 THR 60 HG22 THR 60 6.908 15.895 -17.511 435 HG23 THR 60 HG23 THR 60 5.869 16.383 -16.172 436 H TYR 61 H TYR 61 5.333 13.785 -12.986 437 HA TYR 61 HA TYR 61 5.929 11.055 -12.921 438 HB2 TYR 61 HB2 TYR 61 7.999 12.454 -11.795 439 HB3 TYR 61 HB3 TYR 61 7.009 12.082 -10.388 440 HD1 TYR 61 HD1 TYR 61 8.810 10.566 -13.249 441 HD2 TYR 61 HD2 TYR 61 6.970 9.904 -9.470 442 HE1 TYR 61 HE1 TYR 61 9.757 8.297 -13.192 443 HE2 TYR 61 HE2 TYR 61 7.913 7.634 -9.402 444 HH TYR 61 HH TYR 61 10.071 6.463 -11.958 445 H GLY 62 H GLY 62 4.443 9.965 -11.718 446 HA2 GLY 62 HA2 GLY 62 3.165 10.104 -9.517 447 HA3 GLY 62 HA3 GLY 62 2.588 11.639 -10.148 448 H CYS 63 H CYS 63 0.780 9.744 -9.405 449 HA CYS 63 HA CYS 63 -0.022 8.120 -11.630 450 HB2 CYS 63 HB2 CYS 63 -0.476 7.541 -9.235 451 HB3 CYS 63 HB3 CYS 63 -1.631 8.868 -9.182 452 HG CYS 63 HG CYS 63 -3.112 7.651 -11.395 453 H GLY 64 H GLY 64 -0.155 9.730 -13.294 454 HA2 GLY 64 HA2 GLY 64 -2.309 10.477 -14.441 455 HA3 GLY 64 HA3 GLY 64 -2.475 11.534 -13.046 456 H SER 65 H SER 65 -2.563 13.175 -14.800 457 HA SER 65 HA SER 65 -0.085 13.775 -16.158 458 HB2 SER 65 HB2 SER 65 -1.280 15.512 -17.259 459 HB3 SER 65 HB3 SER 65 -2.413 14.169 -17.115 460 HG SER 65 HG SER 65 -3.136 16.388 -16.486 461 H ALA 66 H ALA 66 0.915 15.931 -16.006 462 HA ALA 66 HA ALA 66 1.795 16.525 -13.446 463 HB1 ALA 66 HB1 ALA 66 3.046 17.202 -15.389 464 HB2 ALA 66 HB2 ALA 66 1.752 18.293 -15.888 465 HB3 ALA 66 HB3 ALA 66 2.669 18.627 -14.419 466 H ILE 67 H ILE 67 1.504 18.499 -12.181 467 HA ILE 67 HA ILE 67 -1.243 19.550 -12.370 468 HB ILE 67 HB ILE 67 -1.259 19.754 -9.918 469 HG12 ILE 67 HG12 ILE 67 1.361 19.732 -9.896 470 HG13 ILE 67 HG13 ILE 67 0.468 19.057 -8.537 471 HG21 ILE 67 HG21 ILE 67 -2.359 17.844 -10.650 472 HG22 ILE 67 HG22 ILE 67 -0.868 17.068 -11.180 473 HG23 ILE 67 HG23 ILE 67 -1.222 17.214 -9.459 474 HD11 ILE 67 HD11 ILE 67 1.128 16.945 -8.980 475 HD12 ILE 67 HD12 ILE 67 1.165 17.201 -10.724 476 HD13 ILE 67 HD13 ILE 67 2.486 17.794 -9.718 477 H ALA 68 H ALA 68 -1.533 21.679 -11.301 478 HA ALA 68 HA ALA 68 0.447 23.516 -12.229 479 HB1 ALA 68 HB1 ALA 68 -2.068 23.878 -12.167 480 HB2 ALA 68 HB2 ALA 68 -1.869 24.211 -10.446 481 HB3 ALA 68 HB3 ALA 68 -1.057 25.224 -11.640 482 H SER 69 H SER 69 -0.212 21.963 -9.216 483 HA SER 69 HA SER 69 0.818 23.726 -7.358 484 HB2 SER 69 HB2 SER 69 1.435 20.787 -7.197 485 HB3 SER 69 HB3 SER 69 1.020 21.903 -5.896 486 HG SER 69 HG SER 69 -1.087 21.878 -6.547 487 H SER 70 H SER 70 2.634 21.126 -8.994 488 HA SER 70 HA SER 70 5.157 21.866 -8.037 489 HB2 SER 70 HB2 SER 70 5.547 20.729 -10.586 490 HB3 SER 70 HB3 SER 70 5.601 19.905 -9.028 491 HG SER 70 HG SER 70 4.075 18.890 -10.294 492 H SER 71 H SER 71 3.479 22.748 -11.033 493 HA SER 71 HA SER 71 5.525 24.199 -12.245 494 HB2 SER 71 HB2 SER 71 2.647 23.909 -12.574 495 HB3 SER 71 HB3 SER 71 3.191 25.544 -12.949 496 HG SER 71 HG SER 71 3.263 23.674 -14.609 497 H LEU 72 H LEU 72 3.247 25.120 -9.741 498 HA LEU 72 HA LEU 72 4.029 27.900 -9.798 499 HB2 LEU 72 HB2 LEU 72 1.821 27.661 -9.170 500 HB3 LEU 72 HB3 LEU 72 2.151 26.243 -8.177 501 HG LEU 72 HG LEU 72 3.236 27.735 -6.509 502 HD11 LEU 72 HD11 LEU 72 3.917 29.627 -7.669 503 HD12 LEU 72 HD12 LEU 72 2.515 30.195 -6.763 504 HD13 LEU 72 HD13 LEU 72 2.360 29.814 -8.478 505 HD21 LEU 72 HD21 LEU 72 0.403 28.554 -7.123 506 HD22 LEU 72 HD22 LEU 72 1.198 28.509 -5.549 507 HD23 LEU 72 HD23 LEU 72 0.840 27.006 -6.401 508 H VAL 73 H VAL 73 4.633 25.064 -7.787 509 HA VAL 73 HA VAL 73 6.051 26.376 -5.731 510 HB VAL 73 HB VAL 73 6.259 23.517 -6.686 511 HG11 VAL 73 HG11 VAL 73 7.180 23.099 -4.402 512 HG12 VAL 73 HG12 VAL 73 8.242 24.037 -5.454 513 HG13 VAL 73 HG13 VAL 73 7.310 24.845 -4.193 514 HG21 VAL 73 HG21 VAL 73 4.304 23.200 -5.683 515 HG22 VAL 73 HG22 VAL 73 4.980 23.791 -4.165 516 HG23 VAL 73 HG23 VAL 73 4.220 24.917 -5.290 517 H THR 74 H THR 74 6.956 25.336 -8.916 518 HA THR 74 HA THR 74 9.775 25.317 -8.508 519 HB THR 74 HB THR 74 9.647 25.735 -11.140 520 HG1 THR 74 HG1 THR 74 7.687 25.575 -11.922 521 HG21 THR 74 HG21 THR 74 10.260 23.590 -11.161 522 HG22 THR 74 HG22 THR 74 8.646 23.070 -10.675 523 HG23 THR 74 HG23 THR 74 9.837 23.512 -9.452 524 H GLU 75 H GLU 75 7.553 27.692 -9.959 525 HA GLU 75 HA GLU 75 9.518 29.642 -10.490 526 HB2 GLU 75 HB2 GLU 75 6.541 29.922 -10.053 527 HB3 GLU 75 HB3 GLU 75 7.581 31.215 -10.633 528 HG2 GLU 75 HG2 GLU 75 7.413 28.583 -12.053 529 HG3 GLU 75 HG3 GLU 75 6.254 29.877 -12.353 530 H TRP 76 H TRP 76 7.966 28.678 -7.590 531 HA TRP 76 HA TRP 76 8.365 31.156 -6.182 532 HB2 TRP 76 HB2 TRP 76 6.994 28.682 -5.711 533 HB3 TRP 76 HB3 TRP 76 8.046 29.027 -4.341 534 HD1 TRP 76 HD1 TRP 76 4.661 29.337 -4.835 535 HE1 TRP 76 HE1 TRP 76 3.619 31.472 -3.846 536 HE3 TRP 76 HE3 TRP 76 8.902 32.143 -4.315 537 HZ2 TRP 76 HZ2 TRP 76 4.481 34.011 -2.963 538 HZ3 TRP 76 HZ3 TRP 76 8.707 34.415 -3.391 539 HH2 TRP 76 HH2 TRP 76 6.541 35.328 -2.730 540 H VAL 77 H VAL 77 9.903 27.953 -6.178 541 HA VAL 77 HA VAL 77 11.878 28.604 -4.251 542 HB VAL 77 HB VAL 77 13.060 26.578 -5.088 543 HG11 VAL 77 HG11 VAL 77 11.689 25.221 -3.913 544 HG12 VAL 77 HG12 VAL 77 10.847 26.732 -3.565 545 HG13 VAL 77 HG13 VAL 77 10.264 25.672 -4.848 546 HG21 VAL 77 HG21 VAL 77 12.027 25.203 -6.801 547 HG22 VAL 77 HG22 VAL 77 10.748 26.397 -7.020 548 HG23 VAL 77 HG23 VAL 77 12.411 26.797 -7.452 549 H LYS 78 H LYS 78 11.686 28.948 -7.724 550 HA LYS 78 HA LYS 78 14.397 29.317 -8.312 551 HB2 LYS 78 HB2 LYS 78 11.837 29.822 -9.627 552 HB3 LYS 78 HB3 LYS 78 13.072 30.994 -10.067 553 HG2 LYS 78 HG2 LYS 78 14.328 28.499 -10.188 554 HG3 LYS 78 HG3 LYS 78 12.742 28.278 -10.930 555 HD2 LYS 78 HD2 LYS 78 13.562 30.676 -11.980 556 HD3 LYS 78 HD3 LYS 78 15.072 29.766 -11.880 557 HE2 LYS 78 HE2 LYS 78 14.284 28.078 -13.287 558 HE3 LYS 78 HE3 LYS 78 12.599 28.538 -13.047 559 HZ1 LYS 78 HZ1 LYS 78 14.566 30.270 -14.430 560 HZ2 LYS 78 HZ2 LYS 78 12.885 30.448 -14.387 561 HZ3 LYS 78 HZ3 LYS 78 13.578 29.164 -15.244 562 H GLY 79 H GLY 79 15.503 30.612 -6.898 563 HA2 GLY 79 HA2 GLY 79 16.438 32.799 -6.664 564 HA3 GLY 79 HA3 GLY 79 14.866 33.477 -7.062 565 H LYS 80 H LYS 80 15.025 30.847 -4.824 566 HA LYS 80 HA LYS 80 14.547 32.734 -2.610 567 HB2 LYS 80 HB2 LYS 80 12.814 30.787 -3.622 568 HB3 LYS 80 HB3 LYS 80 13.465 30.085 -2.147 569 HG2 LYS 80 HG2 LYS 80 11.543 31.194 -1.453 570 HG3 LYS 80 HG3 LYS 80 12.850 32.305 -1.037 571 HD2 LYS 80 HD2 LYS 80 12.422 33.505 -3.178 572 HD3 LYS 80 HD3 LYS 80 11.023 32.460 -3.432 573 HE2 LYS 80 HE2 LYS 80 9.789 33.499 -1.837 574 HE3 LYS 80 HE3 LYS 80 11.190 33.842 -0.823 575 HZ1 LYS 80 HZ1 LYS 80 9.949 35.741 -2.093 576 HZ2 LYS 80 HZ2 LYS 80 10.937 35.256 -3.377 577 HZ3 LYS 80 HZ3 LYS 80 11.632 35.773 -1.923 578 H SER 81 H SER 81 15.349 32.173 -0.553 579 HA SER 81 HA SER 81 17.845 30.780 -0.618 580 HB2 SER 81 HB2 SER 81 17.304 32.810 0.810 581 HB3 SER 81 HB3 SER 81 16.382 31.725 1.851 582 HG SER 81 HG SER 81 18.549 32.018 2.566 583 H LEU 82 H LEU 82 18.081 29.437 1.708 584 HA LEU 82 HA LEU 82 16.686 26.989 1.131 585 HB2 LEU 82 HB2 LEU 82 18.466 27.548 3.489 586 HB3 LEU 82 HB3 LEU 82 18.080 25.985 2.771 587 HG LEU 82 HG LEU 82 19.685 28.124 1.378 588 HD11 LEU 82 HD11 LEU 82 21.363 26.010 1.976 589 HD12 LEU 82 HD12 LEU 82 20.441 26.255 3.459 590 HD13 LEU 82 HD13 LEU 82 21.349 27.593 2.755 591 HD21 LEU 82 HD21 LEU 82 19.046 26.801 -0.344 592 HD22 LEU 82 HD22 LEU 82 18.734 25.409 0.693 593 HD23 LEU 82 HD23 LEU 82 20.388 25.813 0.232 594 H ASP 83 H ASP 83 16.741 29.326 3.795 595 HA ASP 83 HA ASP 83 14.823 27.931 5.376 596 HB2 ASP 83 HB2 ASP 83 16.250 30.513 5.504 597 HB3 ASP 83 HB3 ASP 83 14.677 30.483 6.296 598 H GLU 84 H GLU 84 14.656 30.568 3.037 599 HA GLU 84 HA GLU 84 12.028 31.380 3.435 600 HB2 GLU 84 HB2 GLU 84 13.930 31.458 1.152 601 HB3 GLU 84 HB3 GLU 84 12.235 31.748 0.791 602 HG2 GLU 84 HG2 GLU 84 13.528 33.810 1.194 603 HG3 GLU 84 HG3 GLU 84 12.166 33.608 2.294 604 H ALA 85 H ALA 85 13.213 29.015 1.040 605 HA ALA 85 HA ALA 85 10.680 28.193 0.154 606 HB1 ALA 85 HB1 ALA 85 13.402 26.950 0.050 607 HB2 ALA 85 HB2 ALA 85 11.986 26.082 -0.544 608 HB3 ALA 85 HB3 ALA 85 12.436 27.630 -1.259 609 H GLN 86 H GLN 86 12.773 26.955 2.723 610 HA GLN 86 HA GLN 86 11.176 24.701 3.353 611 HB2 GLN 86 HB2 GLN 86 13.623 25.174 3.994 612 HB3 GLN 86 HB3 GLN 86 12.958 26.123 5.316 613 HG2 GLN 86 HG2 GLN 86 11.671 23.581 5.265 614 HG3 GLN 86 HG3 GLN 86 13.417 23.348 5.215 615 HE21 GLN 86 HE21 GLN 86 14.353 25.387 6.713 616 HE22 GLN 86 HE22 GLN 86 13.793 25.249 8.342 617 H ALA 87 H ALA 87 10.861 28.044 4.027 618 HA ALA 87 HA ALA 87 9.181 27.694 6.356 619 HB1 ALA 87 HB1 ALA 87 8.807 30.252 5.819 620 HB2 ALA 87 HB2 ALA 87 10.296 29.675 6.569 621 HB3 ALA 87 HB3 ALA 87 10.253 30.014 4.838 622 H ILE 88 H ILE 88 8.785 27.690 2.974 623 HA ILE 88 HA ILE 88 6.305 28.809 2.545 624 HB ILE 88 HB ILE 88 7.414 26.294 1.295 625 HG12 ILE 88 HG12 ILE 88 7.494 29.183 0.398 626 HG13 ILE 88 HG13 ILE 88 8.859 28.255 1.010 627 HG21 ILE 88 HG21 ILE 88 5.166 28.088 0.391 628 HG22 ILE 88 HG22 ILE 88 5.866 26.778 -0.557 629 HG23 ILE 88 HG23 ILE 88 5.021 26.422 0.949 630 HD11 ILE 88 HD11 ILE 88 7.337 27.718 -1.528 631 HD12 ILE 88 HD12 ILE 88 8.952 28.416 -1.395 632 HD13 ILE 88 HD13 ILE 88 8.670 26.744 -0.909 633 H LYS 89 H LYS 89 4.195 28.156 2.735 634 HA LYS 89 HA LYS 89 3.729 25.690 4.280 635 HB2 LYS 89 HB2 LYS 89 2.161 28.272 4.424 636 HB3 LYS 89 HB3 LYS 89 1.831 26.812 5.348 637 HG2 LYS 89 HG2 LYS 89 4.278 28.554 5.558 638 HG3 LYS 89 HG3 LYS 89 2.965 28.426 6.732 639 HD2 LYS 89 HD2 LYS 89 3.525 26.057 7.075 640 HD3 LYS 89 HD3 LYS 89 4.856 26.214 5.926 641 HE2 LYS 89 HE2 LYS 89 6.189 26.978 7.529 642 HE3 LYS 89 HE3 LYS 89 5.060 28.285 7.881 643 HZ1 LYS 89 HZ1 LYS 89 5.428 26.964 9.841 644 HZ2 LYS 89 HZ2 LYS 89 4.989 25.547 9.029 645 HZ3 LYS 89 HZ3 LYS 89 3.833 26.748 9.322 646 H ASN 90 H ASN 90 2.222 24.297 3.543 647 HA ASN 90 HA ASN 90 1.405 24.242 0.928 648 HB2 ASN 90 HB2 ASN 90 -0.128 22.498 1.535 649 HB3 ASN 90 HB3 ASN 90 1.284 22.348 2.578 650 HD21 ASN 90 HD21 ASN 90 -2.086 22.924 2.408 651 HD22 ASN 90 HD22 ASN 90 -2.379 23.045 4.107 652 H THR 91 H THR 91 -0.245 25.698 3.680 653 HA THR 91 HA THR 91 -2.732 26.228 2.656 654 HB THR 91 HB THR 91 -2.133 26.813 4.944 655 HG1 THR 91 HG1 THR 91 -3.904 27.930 4.128 656 HG21 THR 91 HG21 THR 91 -0.845 29.362 4.225 657 HG22 THR 91 HG22 THR 91 0.121 27.919 3.917 658 HG23 THR 91 HG23 THR 91 -0.489 28.241 5.539 659 H ASP 92 H ASP 92 0.289 27.890 1.966 660 HA ASP 92 HA ASP 92 -0.891 30.036 0.507 661 HB2 ASP 92 HB2 ASP 92 1.878 28.997 0.912 662 HB3 ASP 92 HB3 ASP 92 1.587 30.094 -0.435 663 H ILE 93 H ILE 93 0.812 27.073 -0.492 664 HA ILE 93 HA ILE 93 0.473 27.458 -3.262 665 HB ILE 93 HB ILE 93 0.845 24.884 -1.726 666 HG12 ILE 93 HG12 ILE 93 3.205 25.336 -2.937 667 HG13 ILE 93 HG13 ILE 93 2.674 27.000 -2.723 668 HG21 ILE 93 HG21 ILE 93 0.680 25.491 -4.629 669 HG22 ILE 93 HG22 ILE 93 1.853 24.288 -4.096 670 HG23 ILE 93 HG23 ILE 93 0.140 24.068 -3.737 671 HD11 ILE 93 HD11 ILE 93 3.914 25.321 -0.849 672 HD12 ILE 93 HD12 ILE 93 3.291 26.954 -0.604 673 HD13 ILE 93 HD13 ILE 93 2.257 25.559 -0.296 674 H ALA 94 H ALA 94 -1.675 26.354 -0.806 675 HA ALA 94 HA ALA 94 -3.465 24.945 -2.557 676 HB1 ALA 94 HB1 ALA 94 -4.982 24.960 -0.577 677 HB2 ALA 94 HB2 ALA 94 -3.389 24.271 -0.263 678 HB3 ALA 94 HB3 ALA 94 -3.766 25.905 0.283 679 H GLU 95 H GLU 95 -3.471 28.117 -0.956 680 HA GLU 95 HA GLU 95 -5.954 28.903 -2.166 681 HB2 GLU 95 HB2 GLU 95 -3.872 30.510 -0.676 682 HB3 GLU 95 HB3 GLU 95 -5.438 31.127 -1.184 683 HG2 GLU 95 HG2 GLU 95 -5.199 28.718 0.580 684 HG3 GLU 95 HG3 GLU 95 -5.176 30.355 1.234 685 H GLU 96 H GLU 96 -2.572 29.192 -2.929 686 HA GLU 96 HA GLU 96 -2.662 31.332 -4.733 687 HB2 GLU 96 HB2 GLU 96 -0.806 29.155 -4.090 688 HB3 GLU 96 HB3 GLU 96 -0.717 29.685 -5.764 689 HG2 GLU 96 HG2 GLU 96 0.791 30.796 -3.980 690 HG3 GLU 96 HG3 GLU 96 0.009 31.791 -5.207 691 H LEU 97 H LEU 97 -2.851 27.831 -5.372 692 HA LEU 97 HA LEU 97 -3.816 28.411 -8.076 693 HB2 LEU 97 HB2 LEU 97 -2.707 25.963 -6.748 694 HB3 LEU 97 HB3 LEU 97 -3.589 25.853 -8.269 695 HG LEU 97 HG LEU 97 -1.245 27.696 -8.042 696 HD11 LEU 97 HD11 LEU 97 -0.497 25.525 -7.158 697 HD12 LEU 97 HD12 LEU 97 0.254 25.918 -8.704 698 HD13 LEU 97 HD13 LEU 97 -1.062 24.746 -8.636 699 HD21 LEU 97 HD21 LEU 97 -2.651 26.202 -10.236 700 HD22 LEU 97 HD22 LEU 97 -1.052 26.912 -10.460 701 HD23 LEU 97 HD23 LEU 97 -2.426 27.942 -10.055 702 H GLU 98 H GLU 98 -5.082 27.935 -5.077 703 HA GLU 98 HA GLU 98 -7.098 27.267 -4.247 704 HB2 GLU 98 HB2 GLU 98 -7.946 28.010 -7.052 705 HB3 GLU 98 HB3 GLU 98 -9.048 27.756 -5.706 706 HG2 GLU 98 HG2 GLU 98 -7.384 29.585 -4.632 707 HG3 GLU 98 HG3 GLU 98 -7.318 30.046 -6.332 708 H LEU 99 H LEU 99 -5.678 25.089 -4.756 709 HA LEU 99 HA LEU 99 -6.539 23.229 -6.603 710 HB2 LEU 99 HB2 LEU 99 -5.047 23.217 -4.142 711 HB3 LEU 99 HB3 LEU 99 -6.065 21.783 -4.252 712 HG LEU 99 HG LEU 99 -5.017 21.456 -6.572 713 HD11 LEU 99 HD11 LEU 99 -3.153 22.609 -7.186 714 HD12 LEU 99 HD12 LEU 99 -2.685 22.963 -5.523 715 HD13 LEU 99 HD13 LEU 99 -3.987 23.875 -6.286 716 HD21 LEU 99 HD21 LEU 99 -3.793 20.998 -3.907 717 HD22 LEU 99 HD22 LEU 99 -2.811 20.659 -5.333 718 HD23 LEU 99 HD23 LEU 99 -4.358 19.839 -5.111 719 HA PRO 100 HA PRO 100 -10.653 22.142 -5.496 720 HB2 PRO 100 HB2 PRO 100 -10.737 19.607 -6.465 721 HB3 PRO 100 HB3 PRO 100 -10.750 21.035 -7.507 722 HG2 PRO 100 HG2 PRO 100 -8.466 19.242 -6.780 723 HG3 PRO 100 HG3 PRO 100 -8.890 19.929 -8.359 724 HD2 PRO 100 HD2 PRO 100 -6.944 20.973 -6.791 725 HD3 PRO 100 HD3 PRO 100 -7.945 21.972 -7.864 726 HA PRO 101 HA PRO 101 -10.586 19.975 -1.662 727 HB2 PRO 101 HB2 PRO 101 -13.161 19.123 -1.541 728 HB3 PRO 101 HB3 PRO 101 -12.696 20.812 -1.305 729 HG2 PRO 101 HG2 PRO 101 -13.784 19.471 -3.751 730 HG3 PRO 101 HG3 PRO 101 -14.205 21.049 -3.058 731 HD2 PRO 101 HD2 PRO 101 -12.536 20.785 -5.175 732 HD3 PRO 101 HD3 PRO 101 -12.362 22.085 -3.978 733 H VAL 102 H VAL 102 -11.197 18.403 -4.631 734 HA VAL 102 HA VAL 102 -11.867 15.820 -3.944 735 HB VAL 102 HB VAL 102 -10.585 15.100 -5.967 736 HG11 VAL 102 HG11 VAL 102 -11.955 16.396 -7.566 737 HG12 VAL 102 HG12 VAL 102 -12.884 15.810 -6.184 738 HG13 VAL 102 HG13 VAL 102 -12.386 17.501 -6.261 739 HG21 VAL 102 HG21 VAL 102 -9.699 17.019 -7.380 740 HG22 VAL 102 HG22 VAL 102 -9.727 17.981 -5.902 741 HG23 VAL 102 HG23 VAL 102 -8.718 16.538 -5.995 742 H LYS 103 H LYS 103 -8.686 17.356 -3.876 743 HA LYS 103 HA LYS 103 -7.754 15.444 -1.938 744 HB2 LYS 103 HB2 LYS 103 -7.407 14.444 -4.310 745 HB3 LYS 103 HB3 LYS 103 -6.116 15.630 -4.449 746 HG2 LYS 103 HG2 LYS 103 -4.974 13.787 -3.701 747 HG3 LYS 103 HG3 LYS 103 -5.317 14.624 -2.185 748 HD2 LYS 103 HD2 LYS 103 -7.431 12.783 -3.019 749 HD3 LYS 103 HD3 LYS 103 -5.881 11.994 -2.718 750 HE2 LYS 103 HE2 LYS 103 -6.393 13.913 -0.658 751 HE3 LYS 103 HE3 LYS 103 -7.794 12.857 -0.834 752 HZ1 LYS 103 HZ1 LYS 103 -5.017 12.136 -0.147 753 HZ2 LYS 103 HZ2 LYS 103 -6.071 10.983 -0.795 754 HZ3 LYS 103 HZ3 LYS 103 -6.447 11.745 0.668 755 H ILE 104 H ILE 104 -7.886 17.716 -1.027 756 HA ILE 104 HA ILE 104 -6.247 19.813 -1.741 757 HB ILE 104 HB ILE 104 -6.950 18.942 1.065 758 HG12 ILE 104 HG12 ILE 104 -8.899 19.323 -0.420 759 HG13 ILE 104 HG13 ILE 104 -8.806 20.503 0.882 760 HG21 ILE 104 HG21 ILE 104 -5.405 20.506 1.573 761 HG22 ILE 104 HG22 ILE 104 -5.500 21.270 -0.013 762 HG23 ILE 104 HG23 ILE 104 -6.725 21.618 1.207 763 HD11 ILE 104 HD11 ILE 104 -7.865 22.135 -0.659 764 HD12 ILE 104 HD12 ILE 104 -7.943 20.951 -1.964 765 HD13 ILE 104 HD13 ILE 104 -9.428 21.544 -1.220 766 H HIS 105 H HIS 105 -5.392 16.793 -0.271 767 HA HIS 105 HA HIS 105 -2.975 17.405 0.945 768 HB2 HIS 105 HB2 HIS 105 -4.308 15.013 -0.027 769 HB3 HIS 105 HB3 HIS 105 -2.562 14.911 -0.231 770 HD1 HIS 105 HD1 HIS 105 -4.229 16.641 2.674 771 HD2 HIS 105 HD2 HIS 105 -2.087 13.177 1.856 772 HE1 HIS 105 HE1 HIS 105 -3.720 15.621 4.916 773 H CYS 106 H CYS 106 -3.792 17.291 -2.406 774 HA CYS 106 HA CYS 106 -1.279 16.831 -3.547 775 HB2 CYS 106 HB2 CYS 106 -3.837 18.020 -4.434 776 HB3 CYS 106 HB3 CYS 106 -2.416 18.506 -5.350 777 HG CYS 106 HG CYS 106 -2.747 16.506 -6.934 778 H SER 107 H SER 107 -2.475 19.524 -1.814 779 HA SER 107 HA SER 107 -0.556 21.394 -2.938 780 HB2 SER 107 HB2 SER 107 -3.040 21.701 -1.755 781 HB3 SER 107 HB3 SER 107 -1.927 22.247 -0.501 782 HG SER 107 HG SER 107 -1.921 23.154 -3.191 783 H ILE 108 H ILE 108 -0.978 19.404 -0.098 784 HA ILE 108 HA ILE 108 1.087 20.616 1.451 785 HB ILE 108 HB ILE 108 -0.308 17.954 1.661 786 HG12 ILE 108 HG12 ILE 108 -0.852 19.278 3.942 787 HG13 ILE 108 HG13 ILE 108 -0.604 20.649 2.867 788 HG21 ILE 108 HG21 ILE 108 0.832 18.055 4.023 789 HG22 ILE 108 HG22 ILE 108 1.679 17.364 2.640 790 HG23 ILE 108 HG23 ILE 108 2.038 19.010 3.161 791 HD11 ILE 108 HD11 ILE 108 -2.278 19.603 1.321 792 HD12 ILE 108 HD12 ILE 108 -2.627 18.447 2.607 793 HD13 ILE 108 HD13 ILE 108 -2.915 20.168 2.866 794 H LEU 109 H LEU 109 0.991 18.165 -1.010 795 HA LEU 109 HA LEU 109 3.536 17.009 -0.439 796 HB2 LEU 109 HB2 LEU 109 1.834 16.994 -2.924 797 HB3 LEU 109 HB3 LEU 109 3.324 16.070 -2.744 798 HG LEU 109 HG LEU 109 0.752 15.697 -1.214 799 HD11 LEU 109 HD11 LEU 109 1.337 13.312 -2.281 800 HD12 LEU 109 HD12 LEU 109 2.057 14.362 -3.501 801 HD13 LEU 109 HD13 LEU 109 0.348 14.521 -3.099 802 HD21 LEU 109 HD21 LEU 109 2.006 13.709 -0.257 803 HD22 LEU 109 HD22 LEU 109 2.449 15.297 0.369 804 HD23 LEU 109 HD23 LEU 109 3.480 14.497 -0.819 805 H ALA 110 H ALA 110 2.476 19.831 -2.114 806 HA ALA 110 HA ALA 110 4.739 20.186 -3.795 807 HB1 ALA 110 HB1 ALA 110 3.414 21.755 -4.628 808 HB2 ALA 110 HB2 ALA 110 2.297 21.547 -3.278 809 HB3 ALA 110 HB3 ALA 110 3.620 22.707 -3.158 810 H GLU 111 H GLU 111 3.916 21.283 -0.538 811 HA GLU 111 HA GLU 111 6.383 22.780 -0.288 812 HB2 GLU 111 HB2 GLU 111 5.589 23.240 2.011 813 HB3 GLU 111 HB3 GLU 111 4.407 23.674 0.784 814 HG2 GLU 111 HG2 GLU 111 2.922 22.125 1.468 815 HG3 GLU 111 HG3 GLU 111 4.170 20.958 1.900 816 H ASP 112 H ASP 112 5.235 19.609 0.373 817 HA ASP 112 HA ASP 112 7.195 18.981 2.383 818 HB2 ASP 112 HB2 ASP 112 5.210 17.349 0.814 819 HB3 ASP 112 HB3 ASP 112 6.402 16.587 1.863 820 H ALA 113 H ALA 113 7.074 19.009 -1.054 821 HA ALA 113 HA ALA 113 9.231 17.136 -1.439 822 HB1 ALA 113 HB1 ALA 113 7.245 18.207 -3.058 823 HB2 ALA 113 HB2 ALA 113 8.747 18.885 -3.689 824 HB3 ALA 113 HB3 ALA 113 8.554 17.136 -3.558 825 H ILE 114 H ILE 114 8.843 20.661 -1.736 826 HA ILE 114 HA ILE 114 11.394 21.343 -2.529 827 HB ILE 114 HB ILE 114 11.022 23.516 -1.336 828 HG12 ILE 114 HG12 ILE 114 8.466 22.137 -0.491 829 HG13 ILE 114 HG13 ILE 114 9.749 22.706 0.571 830 HG21 ILE 114 HG21 ILE 114 8.609 22.667 -2.916 831 HG22 ILE 114 HG22 ILE 114 9.353 24.263 -2.833 832 HG23 ILE 114 HG23 ILE 114 10.188 22.942 -3.651 833 HD11 ILE 114 HD11 ILE 114 9.269 25.010 -0.118 834 HD12 ILE 114 HD12 ILE 114 7.951 24.416 -1.129 835 HD13 ILE 114 HD13 ILE 114 7.876 24.222 0.622 836 H LYS 115 H LYS 115 10.204 20.682 0.731 837 HA LYS 115 HA LYS 115 12.546 21.421 2.116 838 HB2 LYS 115 HB2 LYS 115 10.003 20.370 2.764 839 HB3 LYS 115 HB3 LYS 115 11.189 19.266 3.446 840 HG2 LYS 115 HG2 LYS 115 11.792 20.713 5.035 841 HG3 LYS 115 HG3 LYS 115 11.804 22.080 3.918 842 HD2 LYS 115 HD2 LYS 115 9.293 20.850 5.045 843 HD3 LYS 115 HD3 LYS 115 10.111 22.243 5.756 844 HE2 LYS 115 HE2 LYS 115 9.597 23.619 3.961 845 HE3 LYS 115 HE3 LYS 115 9.345 22.262 2.864 846 HZ1 LYS 115 HZ1 LYS 115 7.472 21.949 4.850 847 HZ2 LYS 115 HZ2 LYS 115 7.191 22.493 3.273 848 HZ3 LYS 115 HZ3 LYS 115 7.463 23.608 4.516 849 H ALA 116 H ALA 116 11.548 18.443 0.549 850 HA ALA 116 HA ALA 116 13.599 16.797 1.616 851 HB1 ALA 116 HB1 ALA 116 11.694 15.710 0.737 852 HB2 ALA 116 HB2 ALA 116 11.845 16.540 -0.813 853 HB3 ALA 116 HB3 ALA 116 13.027 15.316 -0.349 854 H ALA 117 H ALA 117 13.448 19.042 -1.036 855 HA ALA 117 HA ALA 117 15.846 18.093 -2.316 856 HB1 ALA 117 HB1 ALA 117 14.526 20.761 -2.750 857 HB2 ALA 117 HB2 ALA 117 15.549 19.853 -3.864 858 HB3 ALA 117 HB3 ALA 117 13.931 19.267 -3.476 859 H ILE 118 H ILE 118 14.970 20.780 -0.185 860 HA ILE 118 HA ILE 118 17.462 22.086 -0.215 861 HB ILE 118 HB ILE 118 15.359 22.036 1.952 862 HG12 ILE 118 HG12 ILE 118 15.913 24.095 -0.194 863 HG13 ILE 118 HG13 ILE 118 14.628 22.894 -0.272 864 HG21 ILE 118 HG21 ILE 118 16.726 24.430 2.119 865 HG22 ILE 118 HG22 ILE 118 16.889 23.055 3.211 866 HG23 ILE 118 HG23 ILE 118 17.998 23.238 1.852 867 HD11 ILE 118 HD11 ILE 118 13.327 24.403 0.694 868 HD12 ILE 118 HD12 ILE 118 14.252 24.136 2.172 869 HD13 ILE 118 HD13 ILE 118 14.699 25.443 1.076 870 H ALA 119 H ALA 119 16.257 19.356 1.607 871 HA ALA 119 HA ALA 119 18.357 19.321 3.541 872 HB1 ALA 119 HB1 ALA 119 16.159 18.279 3.930 873 HB2 ALA 119 HB2 ALA 119 16.532 17.073 2.697 874 HB3 ALA 119 HB3 ALA 119 17.494 17.152 4.174 875 H ASP 120 H ASP 120 17.721 17.478 0.568 876 HA ASP 120 HA ASP 120 19.902 15.774 0.628 877 HB2 ASP 120 HB2 ASP 120 17.892 16.399 -1.198 878 HB3 ASP 120 HB3 ASP 120 19.387 16.750 -2.061 879 H TYR 121 H TYR 121 19.735 19.155 -0.258 880 HA TYR 121 HA TYR 121 22.301 19.306 -1.473 881 HB2 TYR 121 HB2 TYR 121 20.739 21.021 -2.009 882 HB3 TYR 121 HB3 TYR 121 20.455 21.391 -0.312 883 HD1 TYR 121 HD1 TYR 121 23.205 21.378 -2.839 884 HD2 TYR 121 HD2 TYR 121 21.559 23.192 0.640 885 HE1 TYR 121 HE1 TYR 121 24.934 23.124 -2.939 886 HE2 TYR 121 HE2 TYR 121 23.283 24.944 0.549 887 HH TYR 121 HH TYR 121 24.933 25.842 -0.673 888 H LYS 122 H LYS 122 21.130 20.369 1.723 889 HA LYS 122 HA LYS 122 23.644 21.092 2.742 890 HB2 LYS 122 HB2 LYS 122 21.343 20.061 4.397 891 HB3 LYS 122 HB3 LYS 122 22.595 21.197 4.881 892 HG2 LYS 122 HG2 LYS 122 21.418 22.420 2.705 893 HG3 LYS 122 HG3 LYS 122 20.063 21.672 3.554 894 HD2 LYS 122 HD2 LYS 122 22.078 23.161 5.158 895 HD3 LYS 122 HD3 LYS 122 20.937 24.090 4.184 896 HE2 LYS 122 HE2 LYS 122 19.273 23.695 5.613 897 HE3 LYS 122 HE3 LYS 122 19.615 21.966 5.637 898 HZ1 LYS 122 HZ1 LYS 122 20.492 22.186 7.641 899 HZ2 LYS 122 HZ2 LYS 122 20.104 23.832 7.643 900 HZ3 LYS 122 HZ3 LYS 122 21.614 23.320 7.077 901 H SER 123 H SER 123 22.011 18.014 2.530 902 HA SER 123 HA SER 123 23.741 16.649 4.358 903 HB2 SER 123 HB2 SER 123 21.378 15.949 3.726 904 HB3 SER 123 HB3 SER 123 22.052 15.376 2.201 905 HG SER 123 HG SER 123 23.036 13.771 3.214 906 H LYS 124 H LYS 124 23.965 17.615 1.090 907 HA LYS 124 HA LYS 124 25.835 15.584 0.273 908 HB2 LYS 124 HB2 LYS 124 24.350 17.710 -0.981 909 HB3 LYS 124 HB3 LYS 124 26.042 17.801 -1.453 910 HG2 LYS 124 HG2 LYS 124 24.886 16.467 -3.054 911 HG3 LYS 124 HG3 LYS 124 25.927 15.405 -2.104 912 HD2 LYS 124 HD2 LYS 124 23.810 15.063 -0.640 913 HD3 LYS 124 HD3 LYS 124 22.946 15.682 -2.049 914 HE2 LYS 124 HE2 LYS 124 23.819 13.920 -3.427 915 HE3 LYS 124 HE3 LYS 124 24.874 13.366 -2.128 916 HZ1 LYS 124 HZ1 LYS 124 21.924 13.184 -2.280 917 HZ2 LYS 124 HZ2 LYS 124 22.767 12.965 -0.830 918 HZ3 LYS 124 HZ3 LYS 124 23.043 11.923 -2.134 919 H ARG 125 H ARG 125 25.987 18.621 1.878 920 HA ARG 125 HA ARG 125 28.908 18.706 1.511 921 HB2 ARG 125 HB2 ARG 125 28.798 21.070 2.096 922 HB3 ARG 125 HB3 ARG 125 27.731 20.723 0.743 923 HG2 ARG 125 HG2 ARG 125 26.018 21.586 1.841 924 HG3 ARG 125 HG3 ARG 125 26.255 20.437 3.160 925 HD2 ARG 125 HD2 ARG 125 26.433 22.525 4.189 926 HD3 ARG 125 HD3 ARG 125 28.106 22.021 3.951 927 HE ARG 125 HE ARG 125 27.137 23.594 1.777 928 HH11 ARG 125 HH11 ARG 125 28.404 23.760 5.015 929 HH12 ARG 125 HH12 ARG 125 29.037 25.361 4.825 930 HH21 ARG 125 HH21 ARG 125 27.966 25.702 1.514 931 HH22 ARG 125 HH22 ARG 125 28.787 26.465 2.834 932 H GLU 126 H GLU 126 26.487 17.922 3.690 933 HA GLU 126 HA GLU 126 27.768 18.765 6.109 934 HB2 GLU 126 HB2 GLU 126 25.379 17.159 5.389 935 HB3 GLU 126 HB3 GLU 126 26.091 16.848 6.965 936 HG2 GLU 126 HG2 GLU 126 25.680 19.681 6.280 937 HG3 GLU 126 HG3 GLU 126 24.221 18.717 6.503 938 H ALA 127 H ALA 127 29.894 17.833 5.348 939 HA ALA 127 HA ALA 127 31.587 16.354 5.718 940 HB1 ALA 127 HB1 ALA 127 29.895 14.506 7.304 941 HB2 ALA 127 HB2 ALA 127 31.525 15.104 7.616 942 HB3 ALA 127 HB3 ALA 127 30.132 16.139 7.928 943 H LYS 128 H LYS 128 31.640 15.702 3.552 944 HA LYS 128 HA LYS 128 30.406 13.075 3.032 945 HB2 LYS 128 HB2 LYS 128 29.373 14.829 1.663 946 HB3 LYS 128 HB3 LYS 128 30.955 15.291 1.049 947 HG2 LYS 128 HG2 LYS 128 31.129 13.439 -0.295 948 HG3 LYS 128 HG3 LYS 128 30.026 12.482 0.698 949 HD2 LYS 128 HD2 LYS 128 28.150 13.403 -0.261 950 HD3 LYS 128 HD3 LYS 128 28.977 14.900 -0.697 951 HE2 LYS 128 HE2 LYS 128 29.449 14.118 -2.725 952 HE3 LYS 128 HE3 LYS 128 30.170 12.658 -2.050 953 HZ1 LYS 128 HZ1 LYS 128 27.588 12.121 -1.731 954 HZ2 LYS 128 HZ2 LYS 128 28.460 11.689 -3.115 955 HZ3 LYS 128 HZ3 LYS 128 27.504 13.085 -3.120 Start of MODEL 19 1 H1 MET 1 H MET 1 2.949 38.291 -30.531 2 HA MET 1 HA MET 1 4.765 40.186 -29.484 3 HB2 MET 1 HB2 MET 1 1.845 40.881 -29.418 4 HB3 MET 1 HB3 MET 1 2.922 41.425 -28.139 5 HG2 MET 1 HG2 MET 1 4.348 42.226 -30.240 6 HG3 MET 1 HG3 MET 1 2.742 42.273 -30.963 7 HE1 MET 1 HE1 MET 1 3.936 45.179 -30.995 8 HE2 MET 1 HE2 MET 1 4.387 45.804 -29.409 9 HE3 MET 1 HE3 MET 1 5.170 44.356 -30.042 10 H ALA 2 H ALA 2 1.789 38.389 -28.740 11 HA ALA 2 HA ALA 2 3.142 36.782 -26.794 12 HB1 ALA 2 HB1 ALA 2 2.622 39.008 -25.627 13 HB2 ALA 2 HB2 ALA 2 0.941 38.474 -25.661 14 HB3 ALA 2 HB3 ALA 2 2.154 37.515 -24.813 15 H TYR 3 H TYR 3 1.369 35.468 -25.514 16 HA TYR 3 HA TYR 3 -0.897 34.892 -27.290 17 HB2 TYR 3 HB2 TYR 3 1.365 33.147 -26.670 18 HB3 TYR 3 HB3 TYR 3 -0.192 32.401 -26.328 19 HD1 TYR 3 HD1 TYR 3 -1.871 32.170 -28.164 20 HD2 TYR 3 HD2 TYR 3 2.118 33.453 -28.901 21 HE1 TYR 3 HE1 TYR 3 -2.150 31.646 -30.550 22 HE2 TYR 3 HE2 TYR 3 1.850 32.934 -31.290 23 HH TYR 3 HH TYR 3 -0.933 32.588 -32.796 24 H SER 4 H SER 4 0.420 33.427 -24.325 25 HA SER 4 HA SER 4 -0.508 33.012 -22.290 26 HB2 SER 4 HB2 SER 4 -1.683 35.656 -23.043 27 HB3 SER 4 HB3 SER 4 -2.318 34.826 -21.622 28 HG SER 4 HG SER 4 0.457 35.089 -21.933 29 H GLU 5 H GLU 5 -2.788 32.806 -21.146 30 HA GLU 5 HA GLU 5 -4.733 31.631 -21.036 31 HB2 GLU 5 HB2 GLU 5 -5.497 33.553 -22.444 32 HB3 GLU 5 HB3 GLU 5 -5.160 32.584 -23.872 33 HG2 GLU 5 HG2 GLU 5 -7.372 32.157 -23.664 34 HG3 GLU 5 HG3 GLU 5 -6.747 30.869 -22.635 35 H LYS 6 H LYS 6 -3.737 29.605 -20.905 36 HA LYS 6 HA LYS 6 -4.158 27.931 -23.265 37 HB2 LYS 6 HB2 LYS 6 -1.595 27.917 -21.660 38 HB3 LYS 6 HB3 LYS 6 -1.993 26.814 -22.971 39 HG2 LYS 6 HG2 LYS 6 -1.779 29.796 -23.303 40 HG3 LYS 6 HG3 LYS 6 -0.450 28.671 -23.591 41 HD2 LYS 6 HD2 LYS 6 -3.000 28.036 -24.936 42 HD3 LYS 6 HD3 LYS 6 -2.166 29.484 -25.504 43 HE2 LYS 6 HE2 LYS 6 -0.522 27.053 -25.118 44 HE3 LYS 6 HE3 LYS 6 -1.663 27.036 -26.461 45 HZ1 LYS 6 HZ1 LYS 6 -0.463 29.475 -26.641 46 HZ2 LYS 6 HZ2 LYS 6 -0.100 28.120 -27.585 47 HZ3 LYS 6 HZ3 LYS 6 0.808 28.451 -26.197 48 H VAL 7 H VAL 7 -5.218 26.130 -22.755 49 HA VAL 7 HA VAL 7 -5.063 25.145 -19.982 50 HB VAL 7 HB VAL 7 -7.442 24.429 -20.203 51 HG11 VAL 7 HG11 VAL 7 -6.949 27.393 -20.474 52 HG12 VAL 7 HG12 VAL 7 -8.394 26.641 -19.794 53 HG13 VAL 7 HG13 VAL 7 -6.838 26.457 -18.983 54 HG21 VAL 7 HG21 VAL 7 -8.774 24.970 -21.989 55 HG22 VAL 7 HG22 VAL 7 -7.785 26.355 -22.450 56 HG23 VAL 7 HG23 VAL 7 -7.234 24.719 -22.811 57 H ILE 8 H ILE 8 -3.428 24.199 -22.032 58 HA ILE 8 HA ILE 8 -4.533 21.871 -23.264 59 HB ILE 8 HB ILE 8 -2.180 21.312 -23.822 60 HG12 ILE 8 HG12 ILE 8 -1.070 23.868 -22.993 61 HG13 ILE 8 HG13 ILE 8 -1.597 22.912 -21.613 62 HG21 ILE 8 HG21 ILE 8 -3.740 23.083 -24.995 63 HG22 ILE 8 HG22 ILE 8 -2.482 24.199 -24.467 64 HG23 ILE 8 HG23 ILE 8 -2.073 22.843 -25.517 65 HD11 ILE 8 HD11 ILE 8 0.795 22.618 -22.319 66 HD12 ILE 8 HD12 ILE 8 -0.151 21.136 -22.176 67 HD13 ILE 8 HD13 ILE 8 0.184 21.819 -23.767 68 H ASP 9 H ASP 9 -2.999 19.782 -22.922 69 HA ASP 9 HA ASP 9 -3.792 18.653 -20.492 70 HB2 ASP 9 HB2 ASP 9 -1.785 17.845 -22.578 71 HB3 ASP 9 HB3 ASP 9 -1.979 16.900 -21.104 72 H HIS 10 H HIS 10 -1.920 17.421 -19.162 73 HA HIS 10 HA HIS 10 -0.210 19.576 -18.121 74 HB2 HIS 10 HB2 HIS 10 -1.462 17.170 -16.813 75 HB3 HIS 10 HB3 HIS 10 -0.127 18.036 -16.060 76 HD1 HIS 10 HD1 HIS 10 -3.657 17.915 -15.989 77 HD2 HIS 10 HD2 HIS 10 -0.870 20.995 -15.923 78 HE1 HIS 10 HE1 HIS 10 -4.872 19.901 -15.038 79 H TYR 11 H TYR 11 0.498 17.945 -20.404 80 HA TYR 11 HA TYR 11 2.904 16.653 -19.303 81 HB2 TYR 11 HB2 TYR 11 1.084 15.670 -21.497 82 HB3 TYR 11 HB3 TYR 11 2.736 15.089 -21.318 83 HD1 TYR 11 HD1 TYR 11 -0.627 15.096 -19.856 84 HD2 TYR 11 HD2 TYR 11 3.351 13.635 -19.482 85 HE1 TYR 11 HE1 TYR 11 -1.398 13.436 -18.213 86 HE2 TYR 11 HE2 TYR 11 2.591 11.970 -17.839 87 HH TYR 11 HH TYR 11 -0.758 11.371 -17.243 88 H GLU 12 H GLU 12 4.761 17.390 -20.104 89 HA GLU 12 HA GLU 12 4.684 18.903 -22.632 90 HB2 GLU 12 HB2 GLU 12 6.599 20.236 -21.664 91 HB3 GLU 12 HB3 GLU 12 5.033 20.503 -20.913 92 HG2 GLU 12 HG2 GLU 12 5.690 18.918 -19.117 93 HG3 GLU 12 HG3 GLU 12 7.296 18.839 -19.839 94 H ASN 13 H ASN 13 6.739 16.993 -20.456 95 HA ASN 13 HA ASN 13 8.157 15.979 -22.822 96 HB2 ASN 13 HB2 ASN 13 9.517 16.663 -20.209 97 HB3 ASN 13 HB3 ASN 13 10.287 16.111 -21.694 98 HD21 ASN 13 HD21 ASN 13 9.061 17.640 -23.581 99 HD22 ASN 13 HD22 ASN 13 9.446 19.306 -23.330 100 HA PRO 14 HA PRO 14 7.461 11.980 -21.151 101 HB2 PRO 14 HB2 PRO 14 9.644 10.648 -22.062 102 HB3 PRO 14 HB3 PRO 14 8.313 11.145 -23.114 103 HG2 PRO 14 HG2 PRO 14 10.968 12.455 -22.672 104 HG3 PRO 14 HG3 PRO 14 10.091 12.188 -24.190 105 HD2 PRO 14 HD2 PRO 14 10.099 14.576 -22.912 106 HD3 PRO 14 HD3 PRO 14 8.709 14.003 -23.856 107 H ARG 15 H ARG 15 10.889 12.933 -20.832 108 HA ARG 15 HA ARG 15 10.978 12.929 -18.057 109 HB2 ARG 15 HB2 ARG 15 12.301 10.748 -17.767 110 HB3 ARG 15 HB3 ARG 15 10.553 10.628 -17.919 111 HG2 ARG 15 HG2 ARG 15 10.657 9.650 -19.980 112 HG3 ARG 15 HG3 ARG 15 12.203 10.402 -20.380 113 HD2 ARG 15 HD2 ARG 15 13.399 8.739 -19.443 114 HD3 ARG 15 HD3 ARG 15 12.269 8.544 -18.104 115 HE ARG 15 HE ARG 15 11.312 6.828 -19.252 116 HH11 ARG 15 HH11 ARG 15 12.994 8.866 -21.519 117 HH12 ARG 15 HH12 ARG 15 12.687 7.833 -22.875 118 HH21 ARG 15 HH21 ARG 15 10.900 5.460 -21.031 119 HH22 ARG 15 HH22 ARG 15 11.495 5.896 -22.597 120 H ASN 16 H ASN 16 12.680 12.216 -21.046 121 HA ASN 16 HA ASN 16 15.309 12.516 -20.282 122 HB2 ASN 16 HB2 ASN 16 14.123 12.118 -22.644 123 HB3 ASN 16 HB3 ASN 16 14.489 13.831 -22.823 124 HD21 ASN 16 HD21 ASN 16 16.293 14.159 -23.879 125 HD22 ASN 16 HD22 ASN 16 17.722 13.191 -23.793 126 H VAL 17 H VAL 17 13.057 15.082 -21.285 127 HA VAL 17 HA VAL 17 14.823 17.235 -20.986 128 HB VAL 17 HB VAL 17 11.844 17.352 -20.522 129 HG11 VAL 17 HG11 VAL 17 12.528 19.464 -20.037 130 HG12 VAL 17 HG12 VAL 17 13.986 19.338 -21.024 131 HG13 VAL 17 HG13 VAL 17 12.423 19.617 -21.791 132 HG21 VAL 17 HG21 VAL 17 13.412 17.246 -23.086 133 HG22 VAL 17 HG22 VAL 17 12.074 16.214 -22.579 134 HG23 VAL 17 HG23 VAL 17 11.777 17.901 -22.996 135 H GLY 18 H GLY 18 15.059 18.780 -19.322 136 HA2 GLY 18 HA2 GLY 18 15.359 19.452 -17.149 137 HA3 GLY 18 HA3 GLY 18 13.810 18.689 -16.819 138 H SER 19 H SER 19 17.234 18.430 -16.571 139 HA SER 19 HA SER 19 16.974 16.282 -14.667 140 HB2 SER 19 HB2 SER 19 17.177 15.299 -17.094 141 HB3 SER 19 HB3 SER 19 18.880 15.721 -16.913 142 HG SER 19 HG SER 19 18.475 14.533 -14.744 143 H PHE 20 H PHE 20 18.598 16.289 -13.188 144 HA PHE 20 HA PHE 20 20.234 18.551 -12.957 145 HB2 PHE 20 HB2 PHE 20 21.215 17.464 -11.036 146 HB3 PHE 20 HB3 PHE 20 19.490 17.116 -11.058 147 HD1 PHE 20 HD1 PHE 20 18.691 14.878 -11.739 148 HD2 PHE 20 HD2 PHE 20 22.827 15.739 -11.223 149 HE1 PHE 20 HE1 PHE 20 19.174 12.468 -11.623 150 HE2 PHE 20 HE2 PHE 20 23.317 13.331 -11.107 151 HZ PHE 20 HZ PHE 20 21.490 11.692 -11.308 152 H ASP 21 H ASP 21 22.737 17.782 -12.239 153 HA ASP 21 HA ASP 21 24.012 16.097 -14.143 154 HB2 ASP 21 HB2 ASP 21 23.380 18.588 -15.157 155 HB3 ASP 21 HB3 ASP 21 25.047 18.790 -14.625 156 H ASN 22 H ASN 22 26.540 17.027 -14.192 157 HA ASN 22 HA ASN 22 28.459 17.207 -12.984 158 HB2 ASN 22 HB2 ASN 22 26.546 18.910 -11.538 159 HB3 ASN 22 HB3 ASN 22 27.886 18.332 -10.552 160 HD21 ASN 22 HD21 ASN 22 26.876 20.713 -12.605 161 HD22 ASN 22 HD22 ASN 22 28.411 21.366 -13.054 162 H ASN 23 H ASN 23 26.417 16.965 -10.122 163 HA ASN 23 HA ASN 23 26.444 14.212 -9.748 164 HB2 ASN 23 HB2 ASN 23 29.025 15.202 -9.510 165 HB3 ASN 23 HB3 ASN 23 28.476 15.076 -7.842 166 HD21 ASN 23 HD21 ASN 23 27.745 13.025 -7.082 167 HD22 ASN 23 HD22 ASN 23 28.330 11.570 -7.807 168 H ASP 24 H ASP 24 24.812 16.515 -9.252 169 HA ASP 24 HA ASP 24 23.454 17.446 -7.675 170 HB2 ASP 24 HB2 ASP 24 23.011 14.903 -7.521 171 HB3 ASP 24 HB3 ASP 24 23.921 14.981 -6.014 172 H GLU 25 H GLU 25 26.305 17.994 -7.446 173 HA GLU 25 HA GLU 25 27.349 17.881 -4.900 174 HB2 GLU 25 HB2 GLU 25 28.543 20.021 -5.503 175 HB3 GLU 25 HB3 GLU 25 28.719 18.707 -6.658 176 HG2 GLU 25 HG2 GLU 25 26.901 19.748 -8.008 177 HG3 GLU 25 HG3 GLU 25 26.944 21.121 -6.904 178 H ASN 26 H ASN 26 25.212 20.378 -6.252 179 HA ASN 26 HA ASN 26 24.442 21.087 -3.507 180 HB2 ASN 26 HB2 ASN 26 24.235 23.503 -4.494 181 HB3 ASN 26 HB3 ASN 26 25.804 22.912 -3.955 182 HD21 ASN 26 HD21 ASN 26 23.798 22.772 -6.882 183 HD22 ASN 26 HD22 ASN 26 25.078 23.147 -7.980 184 H VAL 27 H VAL 27 23.244 19.476 -5.731 185 HA VAL 27 HA VAL 27 20.918 21.040 -6.507 186 HB VAL 27 HB VAL 27 21.690 18.184 -7.112 187 HG11 VAL 27 HG11 VAL 27 19.556 17.831 -7.628 188 HG12 VAL 27 HG12 VAL 27 19.145 19.521 -7.329 189 HG13 VAL 27 HG13 VAL 27 19.735 19.024 -8.915 190 HG21 VAL 27 HG21 VAL 27 22.623 20.562 -8.184 191 HG22 VAL 27 HG22 VAL 27 22.757 18.960 -8.909 192 HG23 VAL 27 HG23 VAL 27 21.411 20.014 -9.342 193 H GLY 28 H GLY 28 18.979 20.963 -5.546 194 HA2 GLY 28 HA2 GLY 28 18.693 19.253 -3.193 195 HA3 GLY 28 HA3 GLY 28 17.679 20.626 -3.608 196 H SER 29 H SER 29 17.827 17.308 -3.463 197 HA SER 29 HA SER 29 15.832 16.911 -5.572 198 HB2 SER 29 HB2 SER 29 16.318 14.428 -4.461 199 HB3 SER 29 HB3 SER 29 17.102 15.078 -5.901 200 HG SER 29 HG SER 29 18.511 14.298 -4.144 201 H GLY 30 H GLY 30 13.756 16.972 -5.048 202 HA2 GLY 30 HA2 GLY 30 12.980 16.125 -2.325 203 HA3 GLY 30 HA3 GLY 30 12.249 17.510 -3.122 204 H MET 31 H MET 31 12.001 14.213 -2.526 205 HA MET 31 HA MET 31 9.946 13.946 -4.622 206 HB2 MET 31 HB2 MET 31 11.878 12.501 -5.082 207 HB3 MET 31 HB3 MET 31 11.716 11.772 -3.490 208 HG2 MET 31 HG2 MET 31 9.247 11.636 -4.988 209 HG3 MET 31 HG3 MET 31 10.586 10.881 -5.850 210 HE1 MET 31 HE1 MET 31 7.778 9.582 -3.219 211 HE2 MET 31 HE2 MET 31 7.978 9.826 -4.954 212 HE3 MET 31 HE3 MET 31 8.268 8.235 -4.248 213 H VAL 32 H VAL 32 7.947 13.598 -3.911 214 HA VAL 32 HA VAL 32 7.518 12.226 -1.369 215 HB VAL 32 HB VAL 32 6.005 13.897 -0.508 216 HG11 VAL 32 HG11 VAL 32 8.581 15.226 -1.339 217 HG12 VAL 32 HG12 VAL 32 7.572 15.649 0.045 218 HG13 VAL 32 HG13 VAL 32 8.415 14.100 0.007 219 HG21 VAL 32 HG21 VAL 32 4.945 15.185 -1.990 220 HG22 VAL 32 HG22 VAL 32 6.391 16.194 -1.995 221 HG23 VAL 32 HG23 VAL 32 6.189 14.937 -3.215 222 H GLY 33 H GLY 33 5.310 11.500 -1.072 223 HA2 GLY 33 HA2 GLY 33 3.282 11.810 -2.995 224 HA3 GLY 33 HA3 GLY 33 4.203 10.366 -3.387 225 H ALA 34 H ALA 34 2.010 9.412 -3.011 226 HA ALA 34 HA ALA 34 1.851 8.516 -0.229 227 HB1 ALA 34 HB1 ALA 34 -0.804 8.665 -0.931 228 HB2 ALA 34 HB2 ALA 34 0.052 9.789 0.125 229 HB3 ALA 34 HB3 ALA 34 -0.132 10.157 -1.590 230 HA PRO 35 HA PRO 35 1.328 4.540 -2.024 231 HB2 PRO 35 HB2 PRO 35 -0.063 3.291 -0.055 232 HB3 PRO 35 HB3 PRO 35 1.653 3.691 0.086 233 HG2 PRO 35 HG2 PRO 35 -0.726 5.142 1.179 234 HG3 PRO 35 HG3 PRO 35 0.826 4.789 1.961 235 HD2 PRO 35 HD2 PRO 35 0.250 7.210 0.893 236 HD3 PRO 35 HD3 PRO 35 1.895 6.542 0.915 237 H ALA 36 H ALA 36 -1.641 5.714 -0.425 238 HA ALA 36 HA ALA 36 -3.324 4.235 -2.240 239 HB1 ALA 36 HB1 ALA 36 -4.517 6.336 -0.545 240 HB2 ALA 36 HB2 ALA 36 -5.012 4.662 -0.801 241 HB3 ALA 36 HB3 ALA 36 -3.683 5.030 0.298 242 H CYS 37 H CYS 37 -1.759 7.225 -2.308 243 HA CYS 37 HA CYS 37 -3.734 8.504 -4.025 244 HB2 CYS 37 HB2 CYS 37 -2.343 9.698 -2.214 245 HB3 CYS 37 HB3 CYS 37 -1.010 9.600 -3.359 246 HG CYS 37 HG CYS 37 -1.723 12.070 -3.923 247 H GLY 38 H GLY 38 -0.520 7.072 -4.206 248 HA2 GLY 38 HA2 GLY 38 0.636 6.250 -6.019 249 HA3 GLY 38 HA3 GLY 38 -0.816 6.493 -6.979 250 H ALA 39 H ALA 39 0.015 9.337 -5.429 251 HA ALA 39 HA ALA 39 1.056 10.437 -7.924 252 HB1 ALA 39 HB1 ALA 39 0.383 12.014 -5.460 253 HB2 ALA 39 HB2 ALA 39 0.426 12.553 -7.139 254 HB3 ALA 39 HB3 ALA 39 -0.858 11.474 -6.593 255 H VAL 40 H VAL 40 3.003 11.528 -8.099 256 HA VAL 40 HA VAL 40 4.791 11.518 -5.776 257 HB VAL 40 HB VAL 40 6.655 10.745 -7.333 258 HG11 VAL 40 HG11 VAL 40 5.707 9.369 -5.530 259 HG12 VAL 40 HG12 VAL 40 4.490 8.757 -6.652 260 HG13 VAL 40 HG13 VAL 40 6.197 8.399 -6.918 261 HG21 VAL 40 HG21 VAL 40 5.967 9.343 -9.226 262 HG22 VAL 40 HG22 VAL 40 4.288 9.806 -8.953 263 HG23 VAL 40 HG23 VAL 40 5.469 11.021 -9.442 264 H MET 41 H MET 41 5.722 13.436 -5.546 265 HA MET 41 HA MET 41 5.843 15.226 -7.875 266 HB2 MET 41 HB2 MET 41 6.003 15.930 -4.939 267 HB3 MET 41 HB3 MET 41 5.930 17.066 -6.280 268 HG2 MET 41 HG2 MET 41 3.718 15.259 -6.432 269 HG3 MET 41 HG3 MET 41 3.801 15.968 -4.821 270 HE1 MET 41 HE1 MET 41 1.257 17.185 -5.461 271 HE2 MET 41 HE2 MET 41 2.453 17.743 -4.291 272 HE3 MET 41 HE3 MET 41 1.687 18.894 -5.386 273 H LYS 42 H LYS 42 7.769 15.068 -8.839 274 HA LYS 42 HA LYS 42 10.177 14.987 -7.147 275 HB2 LYS 42 HB2 LYS 42 9.903 14.166 -10.044 276 HB3 LYS 42 HB3 LYS 42 11.338 13.991 -9.042 277 HG2 LYS 42 HG2 LYS 42 9.697 12.596 -7.527 278 HG3 LYS 42 HG3 LYS 42 8.820 12.415 -9.048 279 HD2 LYS 42 HD2 LYS 42 10.268 10.567 -8.959 280 HD3 LYS 42 HD3 LYS 42 11.053 11.705 -10.057 281 HE2 LYS 42 HE2 LYS 42 12.777 12.080 -8.645 282 HE3 LYS 42 HE3 LYS 42 11.761 11.973 -7.208 283 HZ1 LYS 42 HZ1 LYS 42 13.514 10.075 -8.092 284 HZ2 LYS 42 HZ2 LYS 42 12.003 9.460 -8.541 285 HZ3 LYS 42 HZ3 LYS 42 12.310 9.854 -6.924 286 H LEU 43 H LEU 43 11.245 16.837 -7.003 287 HA LEU 43 HA LEU 43 11.343 18.601 -9.353 288 HB2 LEU 43 HB2 LEU 43 10.641 19.272 -6.528 289 HB3 LEU 43 HB3 LEU 43 11.443 20.474 -7.538 290 HG LEU 43 HG LEU 43 9.556 20.241 -9.167 291 HD11 LEU 43 HD11 LEU 43 8.274 18.433 -8.924 292 HD12 LEU 43 HD12 LEU 43 7.495 19.310 -7.607 293 HD13 LEU 43 HD13 LEU 43 8.800 18.176 -7.260 294 HD21 LEU 43 HD21 LEU 43 9.791 21.916 -7.167 295 HD22 LEU 43 HD22 LEU 43 8.409 21.026 -6.528 296 HD23 LEU 43 HD23 LEU 43 8.292 21.831 -8.094 297 H GLN 44 H GLN 44 13.263 19.699 -9.686 298 HA GLN 44 HA GLN 44 15.471 19.027 -7.856 299 HB2 GLN 44 HB2 GLN 44 15.157 18.331 -10.621 300 HB3 GLN 44 HB3 GLN 44 16.531 19.416 -10.450 301 HG2 GLN 44 HG2 GLN 44 17.752 17.684 -9.832 302 HG3 GLN 44 HG3 GLN 44 16.774 17.567 -8.370 303 HE21 GLN 44 HE21 GLN 44 16.029 15.615 -8.024 304 HE22 GLN 44 HE22 GLN 44 15.564 14.466 -9.227 305 H ILE 45 H ILE 45 16.781 20.661 -7.265 306 HA ILE 45 HA ILE 45 16.506 23.230 -8.676 307 HB ILE 45 HB ILE 45 16.755 24.376 -6.474 308 HG12 ILE 45 HG12 ILE 45 16.242 21.597 -5.392 309 HG13 ILE 45 HG13 ILE 45 17.727 22.522 -5.207 310 HG21 ILE 45 HG21 ILE 45 14.472 24.344 -5.993 311 HG22 ILE 45 HG22 ILE 45 14.555 23.859 -7.686 312 HG23 ILE 45 HG23 ILE 45 14.308 22.644 -6.432 313 HD11 ILE 45 HD11 ILE 45 15.341 22.559 -3.617 314 HD12 ILE 45 HD12 ILE 45 16.915 23.291 -3.302 315 HD13 ILE 45 HD13 ILE 45 15.702 24.172 -4.232 316 H LYS 46 H LYS 46 18.311 24.781 -7.960 317 HA LYS 46 HA LYS 46 20.829 23.306 -7.579 318 HB2 LYS 46 HB2 LYS 46 20.680 23.819 -9.933 319 HB3 LYS 46 HB3 LYS 46 20.268 25.493 -9.588 320 HG2 LYS 46 HG2 LYS 46 22.410 26.027 -9.654 321 HG3 LYS 46 HG3 LYS 46 22.723 24.942 -8.297 322 HD2 LYS 46 HD2 LYS 46 22.706 24.181 -11.218 323 HD3 LYS 46 HD3 LYS 46 24.137 24.382 -10.204 324 HE2 LYS 46 HE2 LYS 46 23.975 22.262 -9.566 325 HE3 LYS 46 HE3 LYS 46 22.386 22.594 -8.877 326 HZ1 LYS 46 HZ1 LYS 46 21.339 21.671 -10.622 327 HZ2 LYS 46 HZ2 LYS 46 22.802 20.850 -10.838 328 HZ3 LYS 46 HZ3 LYS 46 22.463 22.230 -11.756 329 H VAL 47 H VAL 47 22.174 24.144 -6.101 330 HA VAL 47 HA VAL 47 21.545 26.824 -5.044 331 HB VAL 47 HB VAL 47 22.861 24.591 -3.501 332 HG11 VAL 47 HG11 VAL 47 23.362 26.767 -2.618 333 HG12 VAL 47 HG12 VAL 47 21.661 27.233 -2.685 334 HG13 VAL 47 HG13 VAL 47 22.191 25.986 -1.556 335 HG21 VAL 47 HG21 VAL 47 20.068 24.989 -4.174 336 HG22 VAL 47 HG22 VAL 47 20.859 23.610 -3.411 337 HG23 VAL 47 HG23 VAL 47 20.338 24.981 -2.431 338 H ASN 48 H ASN 48 23.100 28.315 -5.110 339 HA ASN 48 HA ASN 48 25.702 27.574 -6.168 340 HB2 ASN 48 HB2 ASN 48 25.973 29.802 -6.755 341 HB3 ASN 48 HB3 ASN 48 24.223 29.627 -6.844 342 HD21 ASN 48 HD21 ASN 48 23.042 30.181 -4.810 343 HD22 ASN 48 HD22 ASN 48 23.600 31.555 -3.924 344 H ASP 49 H ASP 49 27.521 29.150 -5.176 345 HA ASP 49 HA ASP 49 28.288 28.066 -2.756 346 HB2 ASP 49 HB2 ASP 49 29.098 30.494 -4.289 347 HB3 ASP 49 HB3 ASP 49 29.680 30.324 -2.635 348 H GLU 50 H GLU 50 26.656 31.164 -3.345 349 HA GLU 50 HA GLU 50 26.610 32.176 -0.781 350 HB2 GLU 50 HB2 GLU 50 25.540 32.944 -3.159 351 HB3 GLU 50 HB3 GLU 50 24.088 32.492 -2.278 352 HG2 GLU 50 HG2 GLU 50 24.328 34.167 -0.738 353 HG3 GLU 50 HG3 GLU 50 26.076 34.255 -0.945 354 H GLY 51 H GLY 51 24.411 29.824 -2.258 355 HA2 GLY 51 HA2 GLY 51 23.541 28.025 -0.893 356 HA3 GLY 51 HA3 GLY 51 23.478 29.149 0.457 357 H ILE 52 H ILE 52 22.442 30.224 -2.663 358 HA ILE 52 HA ILE 52 19.638 30.013 -1.776 359 HB ILE 52 HB ILE 52 21.017 32.266 -3.224 360 HG12 ILE 52 HG12 ILE 52 19.171 32.566 -0.891 361 HG13 ILE 52 HG13 ILE 52 20.799 31.961 -0.606 362 HG21 ILE 52 HG21 ILE 52 18.584 33.228 -3.144 363 HG22 ILE 52 HG22 ILE 52 19.090 32.183 -4.471 364 HG23 ILE 52 HG23 ILE 52 18.131 31.524 -3.146 365 HD11 ILE 52 HD11 ILE 52 19.969 34.620 -1.711 366 HD12 ILE 52 HD12 ILE 52 20.912 34.272 -0.261 367 HD13 ILE 52 HD13 ILE 52 21.616 34.007 -1.856 368 H ILE 53 H ILE 53 18.094 29.462 -3.285 369 HA ILE 53 HA ILE 53 18.879 27.809 -5.413 370 HB ILE 53 HB ILE 53 16.200 29.131 -4.967 371 HG12 ILE 53 HG12 ILE 53 16.830 27.791 -3.051 372 HG13 ILE 53 HG13 ILE 53 15.593 26.935 -3.964 373 HG21 ILE 53 HG21 ILE 53 16.049 28.392 -7.140 374 HG22 ILE 53 HG22 ILE 53 17.153 27.044 -6.871 375 HG23 ILE 53 HG23 ILE 53 15.503 26.968 -6.255 376 HD11 ILE 53 HD11 ILE 53 17.277 25.388 -3.248 377 HD12 ILE 53 HD12 ILE 53 17.368 25.567 -5.000 378 HD13 ILE 53 HD13 ILE 53 18.547 26.376 -3.968 379 H GLU 54 H GLU 54 19.737 28.375 -7.291 380 HA GLU 54 HA GLU 54 19.040 30.998 -8.431 381 HB2 GLU 54 HB2 GLU 54 21.385 30.888 -8.020 382 HB3 GLU 54 HB3 GLU 54 21.502 29.282 -8.725 383 HG2 GLU 54 HG2 GLU 54 21.034 30.181 -10.925 384 HG3 GLU 54 HG3 GLU 54 20.827 31.793 -10.241 385 H ASP 55 H ASP 55 18.898 27.600 -8.907 386 HA ASP 55 HA ASP 55 17.583 28.032 -11.490 387 HB2 ASP 55 HB2 ASP 55 20.135 27.008 -11.352 388 HB3 ASP 55 HB3 ASP 55 19.144 25.553 -11.395 389 H ALA 56 H ALA 56 15.991 26.509 -12.016 390 HA ALA 56 HA ALA 56 15.411 24.395 -10.094 391 HB1 ALA 56 HB1 ALA 56 14.237 26.707 -9.572 392 HB2 ALA 56 HB2 ALA 56 13.110 26.135 -10.802 393 HB3 ALA 56 HB3 ALA 56 13.398 25.170 -9.354 394 H ARG 57 H ARG 57 14.947 22.612 -11.188 395 HA ARG 57 HA ARG 57 13.282 22.737 -13.568 396 HB2 ARG 57 HB2 ARG 57 15.382 22.938 -14.638 397 HB3 ARG 57 HB3 ARG 57 16.128 21.758 -13.568 398 HG2 ARG 57 HG2 ARG 57 15.787 20.826 -15.778 399 HG3 ARG 57 HG3 ARG 57 14.791 19.985 -14.587 400 HD2 ARG 57 HD2 ARG 57 13.032 20.379 -15.887 401 HD3 ARG 57 HD3 ARG 57 13.213 22.093 -15.516 402 HE ARG 57 HE ARG 57 14.933 21.292 -17.636 403 HH11 ARG 57 HH11 ARG 57 11.635 22.111 -16.882 404 HH12 ARG 57 HH12 ARG 57 11.264 22.647 -18.488 405 HH21 ARG 57 HH21 ARG 57 14.457 21.994 -19.753 406 HH22 ARG 57 HH22 ARG 57 12.870 22.580 -20.120 407 H PHE 58 H PHE 58 11.920 21.060 -13.659 408 HA PHE 58 HA PHE 58 12.565 18.650 -12.098 409 HB2 PHE 58 HB2 PHE 58 10.253 18.499 -11.356 410 HB3 PHE 58 HB3 PHE 58 10.927 20.056 -10.884 411 HD1 PHE 58 HD2 PHE 58 10.449 22.045 -12.459 412 HD2 PHE 58 HD1 PHE 58 8.244 18.405 -12.492 413 HE1 PHE 58 HE2 PHE 58 8.579 23.193 -13.571 414 HE2 PHE 58 HE1 PHE 58 6.370 19.546 -13.605 415 HZ PHE 58 HZ PHE 58 6.535 21.943 -14.145 416 H LYS 59 H LYS 59 10.817 16.883 -12.686 417 HA LYS 59 HA LYS 59 10.656 16.805 -15.627 418 HB2 LYS 59 HB2 LYS 59 10.912 14.474 -13.718 419 HB3 LYS 59 HB3 LYS 59 10.868 14.376 -15.473 420 HG2 LYS 59 HG2 LYS 59 13.005 15.175 -15.712 421 HG3 LYS 59 HG3 LYS 59 12.972 16.033 -14.169 422 HD2 LYS 59 HD2 LYS 59 14.326 14.277 -13.610 423 HD3 LYS 59 HD3 LYS 59 12.754 13.580 -13.211 424 HE2 LYS 59 HE2 LYS 59 12.906 12.879 -15.793 425 HE3 LYS 59 HE3 LYS 59 14.626 12.932 -15.410 426 HZ1 LYS 59 HZ1 LYS 59 14.368 11.305 -13.758 427 HZ2 LYS 59 HZ2 LYS 59 13.469 10.736 -15.073 428 HZ3 LYS 59 HZ3 LYS 59 12.681 11.439 -13.751 429 H THR 60 H THR 60 8.916 15.309 -16.447 430 HA THR 60 HA THR 60 6.445 15.874 -14.979 431 HB THR 60 HB THR 60 6.473 14.728 -17.746 432 HG1 THR 60 HG1 THR 60 6.507 17.043 -18.411 433 HG21 THR 60 HG21 THR 60 4.359 15.608 -17.916 434 HG22 THR 60 HG22 THR 60 4.701 16.927 -16.795 435 HG23 THR 60 HG23 THR 60 4.424 15.298 -16.181 436 H TYR 61 H TYR 61 6.321 14.247 -13.472 437 HA TYR 61 HA TYR 61 5.410 11.701 -14.419 438 HB2 TYR 61 HB2 TYR 61 8.131 11.859 -14.114 439 HB3 TYR 61 HB3 TYR 61 7.624 11.252 -12.542 440 HD1 TYR 61 HD1 TYR 61 6.527 10.609 -16.062 441 HD2 TYR 61 HD2 TYR 61 7.907 8.974 -12.384 442 HE1 TYR 61 HE1 TYR 61 6.337 8.345 -17.004 443 HE2 TYR 61 HE2 TYR 61 7.722 6.706 -13.317 444 HH TYR 61 HH TYR 61 5.993 5.931 -15.938 445 H GLY 62 H GLY 62 3.721 11.316 -13.158 446 HA2 GLY 62 HA2 GLY 62 3.172 10.586 -10.824 447 HA3 GLY 62 HA3 GLY 62 3.896 12.104 -10.315 448 H CYS 63 H CYS 63 1.152 10.999 -9.976 449 HA CYS 63 HA CYS 63 -0.652 12.413 -11.622 450 HB2 CYS 63 HB2 CYS 63 -1.077 10.425 -10.005 451 HB3 CYS 63 HB3 CYS 63 -1.272 11.670 -8.777 452 HG CYS 63 HG CYS 63 -3.259 12.962 -10.580 453 H GLY 64 H GLY 64 1.258 13.352 -8.900 454 HA2 GLY 64 HA2 GLY 64 -0.296 15.822 -8.557 455 HA3 GLY 64 HA3 GLY 64 0.929 15.217 -7.451 456 H SER 65 H SER 65 2.710 14.651 -9.819 457 HA SER 65 HA SER 65 4.176 17.064 -9.734 458 HB2 SER 65 HB2 SER 65 5.236 14.872 -10.113 459 HB3 SER 65 HB3 SER 65 4.427 14.752 -11.675 460 HG SER 65 HG SER 65 5.657 16.402 -12.445 461 H ALA 66 H ALA 66 2.277 15.561 -12.343 462 HA ALA 66 HA ALA 66 2.646 17.560 -14.260 463 HB1 ALA 66 HB1 ALA 66 0.013 16.377 -14.421 464 HB2 ALA 66 HB2 ALA 66 1.390 16.217 -15.512 465 HB3 ALA 66 HB3 ALA 66 1.253 15.163 -14.105 466 H ILE 67 H ILE 67 0.728 17.526 -11.405 467 HA ILE 67 HA ILE 67 -1.232 19.427 -12.145 468 HB ILE 67 HB ILE 67 -0.165 18.981 -9.359 469 HG12 ILE 67 HG12 ILE 67 -0.718 16.815 -10.316 470 HG13 ILE 67 HG13 ILE 67 -1.948 17.270 -9.142 471 HG21 ILE 67 HG21 ILE 67 -2.909 19.370 -9.296 472 HG22 ILE 67 HG22 ILE 67 -1.668 20.546 -8.866 473 HG23 ILE 67 HG23 ILE 67 -2.331 20.523 -10.499 474 HD11 ILE 67 HD11 ILE 67 -2.977 16.285 -11.080 475 HD12 ILE 67 HD12 ILE 67 -3.398 17.996 -10.991 476 HD13 ILE 67 HD13 ILE 67 -2.174 17.447 -12.136 477 H ALA 68 H ALA 68 -1.356 21.641 -11.753 478 HA ALA 68 HA ALA 68 0.928 23.158 -12.231 479 HB1 ALA 68 HB1 ALA 68 -1.850 23.752 -11.395 480 HB2 ALA 68 HB2 ALA 68 -0.648 25.022 -11.165 481 HB3 ALA 68 HB3 ALA 68 -0.925 24.351 -12.772 482 H SER 69 H SER 69 -0.322 21.893 -9.273 483 HA SER 69 HA SER 69 0.626 23.628 -7.360 484 HB2 SER 69 HB2 SER 69 0.573 20.603 -7.304 485 HB3 SER 69 HB3 SER 69 0.853 21.614 -5.887 486 HG SER 69 HG SER 69 -1.406 20.856 -6.441 487 H SER 70 H SER 70 2.410 21.347 -9.324 488 HA SER 70 HA SER 70 4.870 21.769 -7.841 489 HB2 SER 70 HB2 SER 70 5.604 19.878 -8.838 490 HB3 SER 70 HB3 SER 70 3.922 19.657 -9.319 491 HG SER 70 HG SER 70 5.008 19.551 -11.194 492 H SER 71 H SER 71 3.308 22.908 -10.730 493 HA SER 71 HA SER 71 5.651 24.051 -11.914 494 HB2 SER 71 HB2 SER 71 3.154 23.461 -12.848 495 HB3 SER 71 HB3 SER 71 3.046 25.211 -12.660 496 HG SER 71 HG SER 71 3.916 24.265 -14.727 497 H LEU 72 H LEU 72 3.333 25.059 -9.553 498 HA LEU 72 HA LEU 72 4.008 27.866 -9.759 499 HB2 LEU 72 HB2 LEU 72 2.344 28.260 -8.193 500 HB3 LEU 72 HB3 LEU 72 1.740 26.873 -9.097 501 HG LEU 72 HG LEU 72 2.834 25.512 -7.138 502 HD11 LEU 72 HD11 LEU 72 3.065 28.249 -6.238 503 HD12 LEU 72 HD12 LEU 72 3.740 26.773 -5.549 504 HD13 LEU 72 HD13 LEU 72 2.104 27.275 -5.126 505 HD21 LEU 72 HD21 LEU 72 0.727 25.269 -6.227 506 HD22 LEU 72 HD22 LEU 72 0.358 25.909 -7.829 507 HD23 LEU 72 HD23 LEU 72 0.328 26.975 -6.424 508 H VAL 73 H VAL 73 4.650 25.164 -7.573 509 HA VAL 73 HA VAL 73 6.055 26.658 -5.621 510 HB VAL 73 HB VAL 73 6.899 24.507 -4.816 511 HG11 VAL 73 HG11 VAL 73 4.575 23.332 -4.711 512 HG12 VAL 73 HG12 VAL 73 4.799 24.907 -3.946 513 HG13 VAL 73 HG13 VAL 73 4.010 24.793 -5.520 514 HG21 VAL 73 HG21 VAL 73 6.170 22.427 -6.016 515 HG22 VAL 73 HG22 VAL 73 5.733 23.450 -7.385 516 HG23 VAL 73 HG23 VAL 73 7.410 23.368 -6.845 517 H THR 74 H THR 74 6.960 25.286 -8.680 518 HA THR 74 HA THR 74 9.774 25.267 -8.260 519 HB THR 74 HB THR 74 9.698 25.410 -10.905 520 HG1 THR 74 HG1 THR 74 7.488 25.929 -11.050 521 HG21 THR 74 HG21 THR 74 9.848 23.378 -9.058 522 HG22 THR 74 HG22 THR 74 10.082 23.201 -10.797 523 HG23 THR 74 HG23 THR 74 8.504 22.874 -10.081 524 H GLU 75 H GLU 75 7.538 27.585 -9.744 525 HA GLU 75 HA GLU 75 9.539 29.430 -10.541 526 HB2 GLU 75 HB2 GLU 75 6.677 30.137 -9.921 527 HB3 GLU 75 HB3 GLU 75 7.762 30.913 -11.066 528 HG2 GLU 75 HG2 GLU 75 7.558 28.208 -11.830 529 HG3 GLU 75 HG3 GLU 75 5.925 28.779 -11.492 530 H TRP 76 H TRP 76 8.060 28.731 -7.529 531 HA TRP 76 HA TRP 76 8.559 31.305 -6.336 532 HB2 TRP 76 HB2 TRP 76 7.225 28.837 -5.584 533 HB3 TRP 76 HB3 TRP 76 8.226 29.454 -4.273 534 HD1 TRP 76 HD1 TRP 76 4.831 29.522 -4.959 535 HE1 TRP 76 HE1 TRP 76 3.666 31.722 -4.304 536 HE3 TRP 76 HE3 TRP 76 8.940 32.544 -4.602 537 HZ2 TRP 76 HZ2 TRP 76 4.391 34.385 -3.716 538 HZ3 TRP 76 HZ3 TRP 76 8.618 34.905 -3.989 539 HH2 TRP 76 HH2 TRP 76 6.390 35.805 -3.556 540 H VAL 77 H VAL 77 10.004 28.065 -6.094 541 HA VAL 77 HA VAL 77 12.033 28.765 -4.266 542 HB VAL 77 HB VAL 77 13.189 26.703 -5.086 543 HG11 VAL 77 HG11 VAL 77 11.071 26.925 -3.462 544 HG12 VAL 77 HG12 VAL 77 10.383 25.863 -4.691 545 HG13 VAL 77 HG13 VAL 77 11.845 25.384 -3.829 546 HG21 VAL 77 HG21 VAL 77 10.811 26.533 -6.935 547 HG22 VAL 77 HG22 VAL 77 12.484 26.807 -7.420 548 HG23 VAL 77 HG23 VAL 77 12.018 25.270 -6.690 549 H LYS 78 H LYS 78 11.849 28.884 -7.773 550 HA LYS 78 HA LYS 78 14.525 29.230 -8.414 551 HB2 LYS 78 HB2 LYS 78 11.958 29.732 -9.687 552 HB3 LYS 78 HB3 LYS 78 13.164 30.924 -10.153 553 HG2 LYS 78 HG2 LYS 78 14.529 28.541 -10.345 554 HG3 LYS 78 HG3 LYS 78 12.908 28.135 -10.914 555 HD2 LYS 78 HD2 LYS 78 14.048 30.661 -11.933 556 HD3 LYS 78 HD3 LYS 78 14.828 29.178 -12.490 557 HE2 LYS 78 HE2 LYS 78 13.143 28.738 -13.874 558 HE3 LYS 78 HE3 LYS 78 11.961 28.916 -12.578 559 HZ1 LYS 78 HZ1 LYS 78 12.956 31.445 -13.395 560 HZ2 LYS 78 HZ2 LYS 78 11.361 30.883 -13.367 561 HZ3 LYS 78 HZ3 LYS 78 12.333 30.602 -14.723 562 H GLY 79 H GLY 79 15.779 30.550 -7.202 563 HA2 GLY 79 HA2 GLY 79 16.763 32.672 -6.925 564 HA3 GLY 79 HA3 GLY 79 15.246 33.415 -7.411 565 H LYS 80 H LYS 80 15.297 30.892 -5.020 566 HA LYS 80 HA LYS 80 14.881 32.903 -2.908 567 HB2 LYS 80 HB2 LYS 80 12.943 31.177 -3.918 568 HB3 LYS 80 HB3 LYS 80 13.473 30.405 -2.430 569 HG2 LYS 80 HG2 LYS 80 11.853 31.717 -1.562 570 HG3 LYS 80 HG3 LYS 80 13.176 32.885 -1.509 571 HD2 LYS 80 HD2 LYS 80 12.445 33.823 -3.640 572 HD3 LYS 80 HD3 LYS 80 11.143 32.635 -3.727 573 HE2 LYS 80 HE2 LYS 80 9.848 33.776 -2.290 574 HE3 LYS 80 HE3 LYS 80 11.203 34.170 -1.234 575 HZ1 LYS 80 HZ1 LYS 80 9.965 36.011 -2.600 576 HZ2 LYS 80 HZ2 LYS 80 11.027 35.527 -3.823 577 HZ3 LYS 80 HZ3 LYS 80 11.636 36.091 -2.349 578 H SER 81 H SER 81 15.826 32.511 -0.957 579 HA SER 81 HA SER 81 18.053 30.812 -0.844 580 HB2 SER 81 HB2 SER 81 18.184 31.420 1.522 581 HB3 SER 81 HB3 SER 81 17.801 32.840 0.549 582 HG SER 81 HG SER 81 16.507 32.158 2.606 583 H LEU 82 H LEU 82 18.102 29.459 1.477 584 HA LEU 82 HA LEU 82 16.518 27.138 0.864 585 HB2 LEU 82 HB2 LEU 82 18.305 27.585 3.245 586 HB3 LEU 82 HB3 LEU 82 17.754 26.042 2.597 587 HG LEU 82 HG LEU 82 19.370 27.777 0.810 588 HD11 LEU 82 HD11 LEU 82 20.315 26.704 3.387 589 HD12 LEU 82 HD12 LEU 82 20.928 28.043 2.417 590 HD13 LEU 82 HD13 LEU 82 21.341 26.383 1.989 591 HD21 LEU 82 HD21 LEU 82 19.718 24.851 1.301 592 HD22 LEU 82 HD22 LEU 82 19.975 25.780 -0.176 593 HD23 LEU 82 HD23 LEU 82 18.335 25.430 0.372 594 H ASP 83 H ASP 83 16.742 29.406 3.589 595 HA ASP 83 HA ASP 83 14.699 28.217 5.134 596 HB2 ASP 83 HB2 ASP 83 16.265 30.706 5.196 597 HB3 ASP 83 HB3 ASP 83 14.658 30.844 5.903 598 H GLU 84 H GLU 84 14.674 30.829 2.747 599 HA GLU 84 HA GLU 84 12.054 31.698 3.059 600 HB2 GLU 84 HB2 GLU 84 14.035 31.738 0.847 601 HB3 GLU 84 HB3 GLU 84 12.359 32.048 0.418 602 HG2 GLU 84 HG2 GLU 84 13.827 34.053 0.943 603 HG3 GLU 84 HG3 GLU 84 12.251 33.972 1.728 604 H ALA 85 H ALA 85 13.245 29.347 0.652 605 HA ALA 85 HA ALA 85 10.735 28.567 -0.300 606 HB1 ALA 85 HB1 ALA 85 12.047 26.397 -0.896 607 HB2 ALA 85 HB2 ALA 85 12.474 27.924 -1.670 608 HB3 ALA 85 HB3 ALA 85 13.445 27.313 -0.331 609 H GLN 86 H GLN 86 12.735 27.203 2.292 610 HA GLN 86 HA GLN 86 11.025 25.029 2.878 611 HB2 GLN 86 HB2 GLN 86 13.505 25.536 3.596 612 HB3 GLN 86 HB3 GLN 86 12.733 26.287 4.986 613 HG2 GLN 86 HG2 GLN 86 11.464 23.842 4.767 614 HG3 GLN 86 HG3 GLN 86 13.147 23.488 4.377 615 HE21 GLN 86 HE21 GLN 86 11.208 25.295 6.732 616 HE22 GLN 86 HE22 GLN 86 12.193 24.909 8.098 617 H ALA 87 H ALA 87 10.811 28.372 3.548 618 HA ALA 87 HA ALA 87 9.156 28.141 5.891 619 HB1 ALA 87 HB1 ALA 87 10.613 30.098 5.463 620 HB2 ALA 87 HB2 ALA 87 9.567 30.540 4.112 621 HB3 ALA 87 HB3 ALA 87 8.929 30.532 5.756 622 H ILE 88 H ILE 88 8.663 27.933 2.522 623 HA ILE 88 HA ILE 88 6.146 28.974 2.112 624 HB ILE 88 HB ILE 88 7.287 26.426 0.961 625 HG12 ILE 88 HG12 ILE 88 7.139 29.154 -0.319 626 HG13 ILE 88 HG13 ILE 88 8.530 28.631 0.625 627 HG21 ILE 88 HG21 ILE 88 5.060 26.209 0.440 628 HG22 ILE 88 HG22 ILE 88 4.793 27.951 0.381 629 HG23 ILE 88 HG23 ILE 88 5.637 27.144 -0.940 630 HD11 ILE 88 HD11 ILE 88 8.996 28.289 -1.689 631 HD12 ILE 88 HD12 ILE 88 8.781 26.712 -0.928 632 HD13 ILE 88 HD13 ILE 88 7.489 27.400 -1.912 633 H LYS 89 H LYS 89 4.056 28.271 2.383 634 HA LYS 89 HA LYS 89 3.696 25.885 4.075 635 HB2 LYS 89 HB2 LYS 89 2.409 28.595 4.220 636 HB3 LYS 89 HB3 LYS 89 1.588 27.179 4.865 637 HG2 LYS 89 HG2 LYS 89 2.676 27.575 6.759 638 HG3 LYS 89 HG3 LYS 89 4.125 26.995 5.935 639 HD2 LYS 89 HD2 LYS 89 4.575 29.313 5.187 640 HD3 LYS 89 HD3 LYS 89 3.179 29.856 6.122 641 HE2 LYS 89 HE2 LYS 89 5.515 28.375 7.316 642 HE3 LYS 89 HE3 LYS 89 5.407 30.133 7.251 643 HZ1 LYS 89 HZ1 LYS 89 3.844 30.188 8.858 644 HZ2 LYS 89 HZ2 LYS 89 4.539 28.712 9.304 645 HZ3 LYS 89 HZ3 LYS 89 3.120 28.734 8.384 646 H ASN 90 H ASN 90 2.129 24.454 3.517 647 HA ASN 90 HA ASN 90 1.271 24.190 0.926 648 HB2 ASN 90 HB2 ASN 90 -0.154 22.458 1.664 649 HB3 ASN 90 HB3 ASN 90 1.159 22.488 2.837 650 HD21 ASN 90 HD21 ASN 90 -2.197 23.067 2.277 651 HD22 ASN 90 HD22 ASN 90 -2.648 23.311 3.927 652 H THR 91 H THR 91 -0.210 26.009 3.525 653 HA THR 91 HA THR 91 -2.756 26.432 2.552 654 HB THR 91 HB THR 91 -2.070 27.248 4.742 655 HG1 THR 91 HG1 THR 91 -3.840 28.294 3.664 656 HG21 THR 91 HG21 THR 91 0.168 28.185 3.541 657 HG22 THR 91 HG22 THR 91 -0.392 28.713 5.128 658 HG23 THR 91 HG23 THR 91 -0.763 29.674 3.696 659 H ASP 92 H ASP 92 0.256 27.989 1.604 660 HA ASP 92 HA ASP 92 -0.990 29.940 -0.077 661 HB2 ASP 92 HB2 ASP 92 1.845 28.995 0.282 662 HB3 ASP 92 HB3 ASP 92 1.415 30.144 -0.982 663 H ILE 93 H ILE 93 0.466 26.767 -0.570 664 HA ILE 93 HA ILE 93 0.315 26.841 -3.416 665 HB ILE 93 HB ILE 93 0.601 24.514 -1.514 666 HG12 ILE 93 HG12 ILE 93 2.956 24.608 -2.673 667 HG13 ILE 93 HG13 ILE 93 2.506 26.275 -3.014 668 HG21 ILE 93 HG21 ILE 93 -0.037 23.285 -3.280 669 HG22 ILE 93 HG22 ILE 93 0.203 24.611 -4.416 670 HG23 ILE 93 HG23 ILE 93 1.578 23.637 -3.893 671 HD11 ILE 93 HD11 ILE 93 3.001 26.897 -0.950 672 HD12 ILE 93 HD12 ILE 93 2.008 25.614 -0.257 673 HD13 ILE 93 HD13 ILE 93 3.683 25.290 -0.703 674 H ALA 94 H ALA 94 -1.893 25.999 -0.876 675 HA ALA 94 HA ALA 94 -3.696 24.490 -2.513 676 HB1 ALA 94 HB1 ALA 94 -3.437 25.137 0.256 677 HB2 ALA 94 HB2 ALA 94 -5.078 25.507 -0.277 678 HB3 ALA 94 HB3 ALA 94 -4.421 23.887 -0.507 679 H GLU 95 H GLU 95 -3.696 27.797 -1.201 680 HA GLU 95 HA GLU 95 -6.123 28.509 -2.553 681 HB2 GLU 95 HB2 GLU 95 -4.044 30.195 -1.150 682 HB3 GLU 95 HB3 GLU 95 -5.560 30.818 -1.784 683 HG2 GLU 95 HG2 GLU 95 -5.430 28.616 0.252 684 HG3 GLU 95 HG3 GLU 95 -5.498 30.324 0.684 685 H GLU 96 H GLU 96 -2.769 28.501 -3.340 686 HA GLU 96 HA GLU 96 -2.556 30.524 -5.212 687 HB2 GLU 96 HB2 GLU 96 -1.143 28.033 -4.624 688 HB3 GLU 96 HB3 GLU 96 -1.062 28.486 -6.320 689 HG2 GLU 96 HG2 GLU 96 -0.536 30.652 -4.402 690 HG3 GLU 96 HG3 GLU 96 0.654 29.352 -4.438 691 H LEU 97 H LEU 97 -3.558 27.153 -5.761 692 HA LEU 97 HA LEU 97 -4.674 27.994 -8.353 693 HB2 LEU 97 HB2 LEU 97 -4.066 25.168 -7.534 694 HB3 LEU 97 HB3 LEU 97 -4.379 25.789 -9.153 695 HG LEU 97 HG LEU 97 -1.938 26.529 -7.552 696 HD11 LEU 97 HD11 LEU 97 -1.749 24.196 -7.815 697 HD12 LEU 97 HD12 LEU 97 -0.788 24.902 -9.114 698 HD13 LEU 97 HD13 LEU 97 -2.390 24.249 -9.457 699 HD21 LEU 97 HD21 LEU 97 -1.122 27.476 -9.504 700 HD22 LEU 97 HD22 LEU 97 -2.830 27.915 -9.546 701 HD23 LEU 97 HD23 LEU 97 -2.239 26.575 -10.529 702 H GLU 98 H GLU 98 -5.501 27.151 -5.233 703 HA GLU 98 HA GLU 98 -7.480 26.710 -4.201 704 HB2 GLU 98 HB2 GLU 98 -8.827 27.168 -6.859 705 HB3 GLU 98 HB3 GLU 98 -9.510 27.375 -5.252 706 HG2 GLU 98 HG2 GLU 98 -8.105 29.287 -4.849 707 HG3 GLU 98 HG3 GLU 98 -7.277 29.043 -6.386 708 H LEU 99 H LEU 99 -6.234 24.490 -4.604 709 HA LEU 99 HA LEU 99 -7.191 22.562 -6.339 710 HB2 LEU 99 HB2 LEU 99 -5.941 22.478 -3.636 711 HB3 LEU 99 HB3 LEU 99 -6.603 20.991 -4.310 712 HG LEU 99 HG LEU 99 -4.192 21.177 -4.685 713 HD11 LEU 99 HD11 LEU 99 -4.194 20.660 -7.038 714 HD12 LEU 99 HD12 LEU 99 -5.752 21.457 -7.249 715 HD13 LEU 99 HD13 LEU 99 -5.640 19.981 -6.291 716 HD21 LEU 99 HD21 LEU 99 -4.758 23.495 -6.510 717 HD22 LEU 99 HD22 LEU 99 -3.199 22.886 -5.953 718 HD23 LEU 99 HD23 LEU 99 -4.275 23.719 -4.829 719 HA PRO 100 HA PRO 100 -11.287 21.614 -5.058 720 HB2 PRO 100 HB2 PRO 100 -11.433 19.011 -5.815 721 HB3 PRO 100 HB3 PRO 100 -11.445 20.349 -6.969 722 HG2 PRO 100 HG2 PRO 100 -9.176 18.580 -6.144 723 HG3 PRO 100 HG3 PRO 100 -9.622 19.144 -7.764 724 HD2 PRO 100 HD2 PRO 100 -7.627 20.276 -6.327 725 HD3 PRO 100 HD3 PRO 100 -8.633 21.203 -7.458 726 HA PRO 101 HA PRO 101 -11.195 19.754 -1.068 727 HB2 PRO 101 HB2 PRO 101 -13.768 18.916 -0.853 728 HB3 PRO 101 HB3 PRO 101 -13.301 20.618 -0.760 729 HG2 PRO 101 HG2 PRO 101 -14.413 19.082 -3.077 730 HG3 PRO 101 HG3 PRO 101 -14.828 20.711 -2.512 731 HD2 PRO 101 HD2 PRO 101 -13.180 20.275 -4.616 732 HD3 PRO 101 HD3 PRO 101 -12.996 21.668 -3.531 733 H VAL 102 H VAL 102 -11.641 17.964 -3.891 734 HA VAL 102 HA VAL 102 -12.339 15.426 -2.940 735 HB VAL 102 HB VAL 102 -10.626 16.211 -5.298 736 HG11 VAL 102 HG11 VAL 102 -11.572 13.529 -4.361 737 HG12 VAL 102 HG12 VAL 102 -11.311 13.847 -6.077 738 HG13 VAL 102 HG13 VAL 102 -9.975 14.010 -4.935 739 HG21 VAL 102 HG21 VAL 102 -13.405 16.347 -4.810 740 HG22 VAL 102 HG22 VAL 102 -12.546 16.668 -6.317 741 HG23 VAL 102 HG23 VAL 102 -13.141 15.044 -5.970 742 H LYS 103 H LYS 103 -9.085 16.710 -3.647 743 HA LYS 103 HA LYS 103 -8.020 15.034 -1.494 744 HB2 LYS 103 HB2 LYS 103 -7.795 14.020 -3.897 745 HB3 LYS 103 HB3 LYS 103 -6.511 15.209 -4.079 746 HG2 LYS 103 HG2 LYS 103 -5.214 13.573 -3.273 747 HG3 LYS 103 HG3 LYS 103 -5.833 14.102 -1.708 748 HD2 LYS 103 HD2 LYS 103 -7.787 12.382 -2.541 749 HD3 LYS 103 HD3 LYS 103 -6.331 11.627 -3.195 750 HE2 LYS 103 HE2 LYS 103 -6.665 12.493 -0.326 751 HE3 LYS 103 HE3 LYS 103 -6.940 10.852 -0.908 752 HZ1 LYS 103 HZ1 LYS 103 -4.478 11.421 -1.860 753 HZ2 LYS 103 HZ2 LYS 103 -4.792 10.556 -0.441 754 HZ3 LYS 103 HZ3 LYS 103 -4.464 12.213 -0.366 755 H ILE 104 H ILE 104 -8.213 17.367 -0.685 756 HA ILE 104 HA ILE 104 -6.657 19.467 -1.555 757 HB ILE 104 HB ILE 104 -7.266 18.703 1.303 758 HG12 ILE 104 HG12 ILE 104 -9.241 19.040 -0.174 759 HG13 ILE 104 HG13 ILE 104 -9.135 20.234 1.115 760 HG21 ILE 104 HG21 ILE 104 -6.893 21.117 1.768 761 HG22 ILE 104 HG22 ILE 104 -5.435 20.251 1.288 762 HG23 ILE 104 HG23 ILE 104 -6.264 21.291 0.130 763 HD11 ILE 104 HD11 ILE 104 -9.792 21.173 -1.074 764 HD12 ILE 104 HD12 ILE 104 -8.321 21.888 -0.414 765 HD13 ILE 104 HD13 ILE 104 -8.218 20.698 -1.711 766 H HIS 105 H HIS 105 -5.665 16.534 -0.010 767 HA HIS 105 HA HIS 105 -3.229 17.255 1.107 768 HB2 HIS 105 HB2 HIS 105 -4.584 14.902 0.761 769 HB3 HIS 105 HB3 HIS 105 -3.200 14.675 -0.304 770 HD1 HIS 105 HD1 HIS 105 -3.273 16.362 3.098 771 HD2 HIS 105 HD2 HIS 105 -1.585 13.080 1.189 772 HE1 HIS 105 HE1 HIS 105 -1.687 15.353 4.769 773 H CYS 106 H CYS 106 -4.153 17.053 -2.204 774 HA CYS 106 HA CYS 106 -1.672 16.608 -3.422 775 HB2 CYS 106 HB2 CYS 106 -4.242 17.866 -4.270 776 HB3 CYS 106 HB3 CYS 106 -2.825 18.107 -5.284 777 HG CYS 106 HG CYS 106 -3.743 16.048 -6.617 778 H SER 107 H SER 107 -2.871 19.323 -1.721 779 HA SER 107 HA SER 107 -1.010 21.192 -2.945 780 HB2 SER 107 HB2 SER 107 -2.234 22.860 -1.971 781 HB3 SER 107 HB3 SER 107 -3.464 21.597 -1.927 782 HG SER 107 HG SER 107 -3.433 22.190 0.126 783 H ILE 108 H ILE 108 -1.422 19.401 0.052 784 HA ILE 108 HA ILE 108 0.701 20.665 1.461 785 HB ILE 108 HB ILE 108 -0.711 18.036 1.878 786 HG12 ILE 108 HG12 ILE 108 -1.407 19.364 3.998 787 HG13 ILE 108 HG13 ILE 108 -0.861 20.778 3.102 788 HG21 ILE 108 HG21 ILE 108 1.395 17.605 2.795 789 HG22 ILE 108 HG22 ILE 108 1.571 19.253 3.395 790 HG23 ILE 108 HG23 ILE 108 0.431 18.151 4.167 791 HD11 ILE 108 HD11 ILE 108 -2.628 19.097 1.537 792 HD12 ILE 108 HD12 ILE 108 -3.374 19.667 3.030 793 HD13 ILE 108 HD13 ILE 108 -2.710 20.825 1.877 794 H LEU 109 H LEU 109 0.527 18.059 -0.830 795 HA LEU 109 HA LEU 109 3.077 16.922 -0.227 796 HB2 LEU 109 HB2 LEU 109 1.081 16.644 -2.423 797 HB3 LEU 109 HB3 LEU 109 2.713 16.026 -2.670 798 HG LEU 109 HG LEU 109 1.361 15.170 -0.186 799 HD11 LEU 109 HD11 LEU 109 0.599 13.655 -2.611 800 HD12 LEU 109 HD12 LEU 109 -0.268 15.157 -2.294 801 HD13 LEU 109 HD13 LEU 109 -0.262 13.872 -1.087 802 HD21 LEU 109 HD21 LEU 109 3.487 14.255 -0.577 803 HD22 LEU 109 HD22 LEU 109 3.136 13.944 -2.278 804 HD23 LEU 109 HD23 LEU 109 2.355 12.978 -1.024 805 H ALA 110 H ALA 110 1.951 19.544 -2.203 806 HA ALA 110 HA ALA 110 4.189 19.760 -3.923 807 HB1 ALA 110 HB1 ALA 110 1.750 21.148 -3.502 808 HB2 ALA 110 HB2 ALA 110 3.062 22.328 -3.489 809 HB3 ALA 110 HB3 ALA 110 2.855 21.254 -4.873 810 H GLU 111 H GLU 111 3.398 21.255 -0.807 811 HA GLU 111 HA GLU 111 5.835 22.781 -0.735 812 HB2 GLU 111 HB2 GLU 111 5.122 23.438 1.505 813 HB3 GLU 111 HB3 GLU 111 3.799 23.603 0.358 814 HG2 GLU 111 HG2 GLU 111 2.528 22.124 1.434 815 HG3 GLU 111 HG3 GLU 111 3.868 21.003 1.669 816 H ASP 112 H ASP 112 4.854 19.618 0.178 817 HA ASP 112 HA ASP 112 6.931 19.206 2.129 818 HB2 ASP 112 HB2 ASP 112 4.984 17.350 0.763 819 HB3 ASP 112 HB3 ASP 112 6.206 16.777 1.895 820 H ALA 113 H ALA 113 6.664 19.038 -1.283 821 HA ALA 113 HA ALA 113 8.883 17.214 -1.635 822 HB1 ALA 113 HB1 ALA 113 8.177 17.024 -3.748 823 HB2 ALA 113 HB2 ALA 113 6.746 17.900 -3.202 824 HB3 ALA 113 HB3 ALA 113 8.074 18.772 -3.968 825 H ILE 114 H ILE 114 8.261 20.654 -2.332 826 HA ILE 114 HA ILE 114 10.751 21.370 -3.281 827 HB ILE 114 HB ILE 114 10.269 23.659 -2.426 828 HG12 ILE 114 HG12 ILE 114 7.666 23.580 -1.584 829 HG13 ILE 114 HG13 ILE 114 8.321 22.127 -0.836 830 HG21 ILE 114 HG21 ILE 114 9.217 22.440 -4.517 831 HG22 ILE 114 HG22 ILE 114 7.723 22.687 -3.613 832 HG23 ILE 114 HG23 ILE 114 8.724 24.070 -4.058 833 HD11 ILE 114 HD11 ILE 114 10.150 24.275 -0.445 834 HD12 ILE 114 HD12 ILE 114 8.535 24.786 0.044 835 HD13 ILE 114 HD13 ILE 114 9.254 23.341 0.752 836 H LYS 115 H LYS 115 9.660 21.098 0.069 837 HA LYS 115 HA LYS 115 12.018 22.131 1.250 838 HB2 LYS 115 HB2 LYS 115 9.779 21.907 2.373 839 HB3 LYS 115 HB3 LYS 115 10.072 20.176 2.481 840 HG2 LYS 115 HG2 LYS 115 12.185 21.932 3.559 841 HG3 LYS 115 HG3 LYS 115 10.657 21.895 4.443 842 HD2 LYS 115 HD2 LYS 115 11.085 19.863 5.262 843 HD3 LYS 115 HD3 LYS 115 11.526 19.238 3.671 844 HE2 LYS 115 HE2 LYS 115 13.764 19.894 3.913 845 HE3 LYS 115 HE3 LYS 115 13.392 20.981 5.251 846 HZ1 LYS 115 HZ1 LYS 115 13.694 18.064 5.255 847 HZ2 LYS 115 HZ2 LYS 115 12.636 18.764 6.373 848 HZ3 LYS 115 HZ3 LYS 115 14.268 19.208 6.362 849 H ALA 116 H ALA 116 10.964 18.866 0.409 850 HA ALA 116 HA ALA 116 12.963 17.387 1.640 851 HB1 ALA 116 HB1 ALA 116 11.523 16.876 -0.957 852 HB2 ALA 116 HB2 ALA 116 12.541 15.692 -0.135 853 HB3 ALA 116 HB3 ALA 116 11.078 16.292 0.647 854 H ALA 117 H ALA 117 13.110 19.408 -1.176 855 HA ALA 117 HA ALA 117 15.588 18.319 -2.158 856 HB1 ALA 117 HB1 ALA 117 15.512 20.435 -3.601 857 HB2 ALA 117 HB2 ALA 117 14.244 19.231 -3.836 858 HB3 ALA 117 HB3 ALA 117 13.911 20.691 -2.905 859 H ILE 118 H ILE 118 14.584 21.066 -0.197 860 HA ILE 118 HA ILE 118 17.089 22.380 -0.137 861 HB ILE 118 HB ILE 118 14.849 22.471 1.887 862 HG12 ILE 118 HG12 ILE 118 15.489 24.285 -0.449 863 HG13 ILE 118 HG13 ILE 118 14.147 23.149 -0.368 864 HG21 ILE 118 HG21 ILE 118 17.475 23.555 1.970 865 HG22 ILE 118 HG22 ILE 118 16.331 24.882 1.781 866 HG23 ILE 118 HG23 ILE 118 16.161 23.758 3.129 867 HD11 ILE 118 HD11 ILE 118 14.458 25.809 0.849 868 HD12 ILE 118 HD12 ILE 118 13.016 24.988 0.250 869 HD13 ILE 118 HD13 ILE 118 13.662 24.588 1.841 870 H ALA 119 H ALA 119 15.639 19.867 1.855 871 HA ALA 119 HA ALA 119 17.725 19.896 3.824 872 HB1 ALA 119 HB1 ALA 119 15.284 18.309 3.314 873 HB2 ALA 119 HB2 ALA 119 16.566 17.517 4.231 874 HB3 ALA 119 HB3 ALA 119 15.878 19.035 4.808 875 H ASP 120 H ASP 120 17.299 18.469 0.731 876 HA ASP 120 HA ASP 120 19.060 16.250 1.080 877 HB2 ASP 120 HB2 ASP 120 17.343 17.221 -0.954 878 HB3 ASP 120 HB3 ASP 120 18.953 17.096 -1.657 879 H TYR 121 H TYR 121 19.438 19.585 0.062 880 HA TYR 121 HA TYR 121 22.041 19.378 -0.997 881 HB2 TYR 121 HB2 TYR 121 20.758 21.329 -1.502 882 HB3 TYR 121 HB3 TYR 121 20.529 21.700 0.204 883 HD1 TYR 121 HD1 TYR 121 23.667 20.758 -1.561 884 HD2 TYR 121 HD2 TYR 121 21.491 23.815 0.444 885 HE1 TYR 121 HE1 TYR 121 25.658 22.201 -1.613 886 HE2 TYR 121 HE2 TYR 121 23.476 25.267 0.397 887 HH TYR 121 HH TYR 121 25.621 25.401 -1.183 888 H LYS 122 H LYS 122 20.899 20.324 2.236 889 HA LYS 122 HA LYS 122 23.407 20.784 3.385 890 HB2 LYS 122 HB2 LYS 122 20.970 19.712 4.813 891 HB3 LYS 122 HB3 LYS 122 22.300 20.618 5.522 892 HG2 LYS 122 HG2 LYS 122 21.622 22.509 3.948 893 HG3 LYS 122 HG3 LYS 122 20.129 21.600 3.704 894 HD2 LYS 122 HD2 LYS 122 20.190 21.562 6.367 895 HD3 LYS 122 HD3 LYS 122 21.111 23.044 6.103 896 HE2 LYS 122 HE2 LYS 122 19.307 24.005 4.842 897 HE3 LYS 122 HE3 LYS 122 18.411 22.487 4.884 898 HZ1 LYS 122 HZ1 LYS 122 18.893 24.408 7.067 899 HZ2 LYS 122 HZ2 LYS 122 18.533 22.793 7.416 900 HZ3 LYS 122 HZ3 LYS 122 17.431 23.736 6.546 901 H SER 123 H SER 123 21.854 17.855 2.506 902 HA SER 123 HA SER 123 23.339 16.175 4.317 903 HB2 SER 123 HB2 SER 123 21.038 15.863 2.759 904 HB3 SER 123 HB3 SER 123 22.225 14.785 2.026 905 HG SER 123 HG SER 123 22.433 13.710 3.934 906 H LYS 124 H LYS 124 23.780 17.505 1.166 907 HA LYS 124 HA LYS 124 25.643 15.614 0.165 908 HB2 LYS 124 HB2 LYS 124 24.340 17.839 -0.840 909 HB3 LYS 124 HB3 LYS 124 26.023 18.349 -0.788 910 HG2 LYS 124 HG2 LYS 124 25.595 17.424 -2.939 911 HG3 LYS 124 HG3 LYS 124 26.618 16.289 -2.054 912 HD2 LYS 124 HD2 LYS 124 23.843 15.708 -1.576 913 HD3 LYS 124 HD3 LYS 124 24.163 15.765 -3.311 914 HE2 LYS 124 HE2 LYS 124 25.935 14.236 -1.431 915 HE3 LYS 124 HE3 LYS 124 24.466 13.524 -2.098 916 HZ1 LYS 124 HZ1 LYS 124 25.702 12.968 -3.840 917 HZ2 LYS 124 HZ2 LYS 124 27.003 13.923 -3.336 918 HZ3 LYS 124 HZ3 LYS 124 25.758 14.608 -4.254 919 H ARG 125 H ARG 125 25.878 18.192 2.434 920 HA ARG 125 HA ARG 125 28.817 17.991 2.385 921 HB2 ARG 125 HB2 ARG 125 28.828 20.206 3.496 922 HB3 ARG 125 HB3 ARG 125 28.087 20.246 1.902 923 HG2 ARG 125 HG2 ARG 125 26.329 21.236 2.808 924 HG3 ARG 125 HG3 ARG 125 25.997 19.746 3.694 925 HD2 ARG 125 HD2 ARG 125 26.205 21.090 5.493 926 HD3 ARG 125 HD3 ARG 125 27.926 20.797 5.248 927 HE ARG 125 HE ARG 125 27.347 22.987 3.705 928 HH11 ARG 125 HH11 ARG 125 27.049 22.158 7.073 929 HH12 ARG 125 HH12 ARG 125 27.254 23.786 7.627 930 HH21 ARG 125 HH21 ARG 125 27.617 25.135 4.421 931 HH22 ARG 125 HH22 ARG 125 27.575 25.480 6.117 932 H GLU 126 H GLU 126 26.154 16.955 4.021 933 HA GLU 126 HA GLU 126 26.888 17.328 6.725 934 HB2 GLU 126 HB2 GLU 126 25.159 15.828 7.263 935 HB3 GLU 126 HB3 GLU 126 24.618 16.618 5.788 936 HG2 GLU 126 HG2 GLU 126 24.175 14.535 5.115 937 HG3 GLU 126 HG3 GLU 126 25.900 14.476 4.760 938 H ALA 127 H ALA 127 27.954 15.136 4.279 939 HA ALA 127 HA ALA 127 29.744 13.871 6.234 940 HB1 ALA 127 HB1 ALA 127 28.481 12.021 6.048 941 HB2 ALA 127 HB2 ALA 127 27.740 12.551 4.538 942 HB3 ALA 127 HB3 ALA 127 29.343 11.814 4.523 943 H LYS 128 H LYS 128 31.717 14.483 5.645 944 HA LYS 128 HA LYS 128 32.804 13.772 3.121 945 HB2 LYS 128 HB2 LYS 128 31.558 15.798 2.442 946 HB3 LYS 128 HB3 LYS 128 32.455 16.733 3.632 947 HG2 LYS 128 HG2 LYS 128 34.373 16.730 2.398 948 HG3 LYS 128 HG3 LYS 128 33.993 15.199 1.605 949 HD2 LYS 128 HD2 LYS 128 32.394 17.686 1.078 950 HD3 LYS 128 HD3 LYS 128 33.884 17.342 0.197 951 HE2 LYS 128 HE2 LYS 128 32.231 15.005 0.237 952 HE3 LYS 128 HE3 LYS 128 31.287 16.381 -0.331 953 HZ1 LYS 128 HZ1 LYS 128 33.969 15.795 -1.425 954 HZ2 LYS 128 HZ2 LYS 128 32.737 16.737 -2.101 955 HZ3 LYS 128 HZ3 LYS 128 32.582 15.053 -2.048 Start of MODEL 20 1 H1 MET 1 H MET 1 -17.724 21.433 -16.956 2 HA MET 1 HA MET 1 -19.111 23.481 -15.369 3 HB2 MET 1 HB2 MET 1 -19.950 21.618 -17.505 4 HB3 MET 1 HB3 MET 1 -21.100 21.838 -16.193 5 HG2 MET 1 HG2 MET 1 -20.895 24.311 -16.563 6 HG3 MET 1 HG3 MET 1 -19.969 23.941 -18.016 7 HE1 MET 1 HE1 MET 1 -22.309 25.718 -17.782 8 HE2 MET 1 HE2 MET 1 -23.671 25.241 -18.796 9 HE3 MET 1 HE3 MET 1 -23.687 24.877 -17.070 10 H ALA 2 H ALA 2 -19.326 23.065 -13.280 11 HA ALA 2 HA ALA 2 -19.513 21.970 -11.292 12 HB1 ALA 2 HB1 ALA 2 -21.147 20.300 -11.139 13 HB2 ALA 2 HB2 ALA 2 -21.643 21.278 -12.521 14 HB3 ALA 2 HB3 ALA 2 -20.843 19.728 -12.779 15 H TYR 3 H TYR 3 -19.374 19.396 -10.471 16 HA TYR 3 HA TYR 3 -16.682 18.597 -11.348 17 HB2 TYR 3 HB2 TYR 3 -18.115 18.255 -8.714 18 HB3 TYR 3 HB3 TYR 3 -16.621 17.409 -9.101 19 HD1 TYR 3 HD2 TYR 3 -14.684 19.017 -9.991 20 HD2 TYR 3 HD1 TYR 3 -17.952 20.244 -7.558 21 HE1 TYR 3 HE2 TYR 3 -13.383 20.961 -9.233 22 HE2 TYR 3 HE1 TYR 3 -16.660 22.192 -6.794 23 HH TYR 3 HH TYR 3 -14.024 22.693 -6.606 24 H SER 4 H SER 4 -17.958 17.544 -13.152 25 HA SER 4 HA SER 4 -18.389 14.753 -12.434 26 HB2 SER 4 HB2 SER 4 -20.425 15.565 -14.332 27 HB3 SER 4 HB3 SER 4 -20.602 14.698 -12.806 28 HG SER 4 HG SER 4 -21.121 17.286 -13.369 29 H GLU 5 H GLU 5 -18.715 13.411 -14.480 30 HA GLU 5 HA GLU 5 -17.854 12.646 -16.442 31 HB2 GLU 5 HB2 GLU 5 -19.184 14.816 -17.129 32 HB3 GLU 5 HB3 GLU 5 -17.576 15.439 -17.470 33 HG2 GLU 5 HG2 GLU 5 -18.365 12.794 -18.582 34 HG3 GLU 5 HG3 GLU 5 -18.987 14.265 -19.329 35 H LYS 6 H LYS 6 -15.899 11.908 -15.632 36 HA LYS 6 HA LYS 6 -13.594 13.691 -16.077 37 HB2 LYS 6 HB2 LYS 6 -14.330 12.523 -13.694 38 HB3 LYS 6 HB3 LYS 6 -13.129 11.398 -14.314 39 HG2 LYS 6 HG2 LYS 6 -11.503 13.183 -14.493 40 HG3 LYS 6 HG3 LYS 6 -12.708 14.359 -13.962 41 HD2 LYS 6 HD2 LYS 6 -12.711 12.336 -12.023 42 HD3 LYS 6 HD3 LYS 6 -11.013 12.641 -12.393 43 HE2 LYS 6 HE2 LYS 6 -11.438 15.067 -12.051 44 HE3 LYS 6 HE3 LYS 6 -13.079 14.668 -11.545 45 HZ1 LYS 6 HZ1 LYS 6 -10.851 14.783 -9.946 46 HZ2 LYS 6 HZ2 LYS 6 -11.151 13.128 -10.127 47 HZ3 LYS 6 HZ3 LYS 6 -12.361 14.146 -9.526 48 H VAL 7 H VAL 7 -12.890 13.113 -18.057 49 HA VAL 7 HA VAL 7 -11.939 10.368 -18.381 50 HB VAL 7 HB VAL 7 -13.557 11.742 -20.530 51 HG11 VAL 7 HG11 VAL 7 -12.318 10.327 -21.778 52 HG12 VAL 7 HG12 VAL 7 -11.919 9.294 -20.404 53 HG13 VAL 7 HG13 VAL 7 -13.483 9.135 -21.204 54 HG21 VAL 7 HG21 VAL 7 -15.006 11.107 -18.686 55 HG22 VAL 7 HG22 VAL 7 -15.279 10.049 -20.069 56 HG23 VAL 7 HG23 VAL 7 -14.334 9.477 -18.694 57 H ILE 8 H ILE 8 -9.820 11.004 -18.312 58 HA ILE 8 HA ILE 8 -8.935 12.808 -20.470 59 HB ILE 8 HB ILE 8 -7.615 12.420 -17.781 60 HG12 ILE 8 HG12 ILE 8 -8.266 15.066 -17.965 61 HG13 ILE 8 HG13 ILE 8 -9.633 14.319 -18.784 62 HG21 ILE 8 HG21 ILE 8 -6.726 14.728 -19.196 63 HG22 ILE 8 HG22 ILE 8 -5.795 13.328 -18.664 64 HG23 ILE 8 HG23 ILE 8 -6.573 13.320 -20.247 65 HD11 ILE 8 HD11 ILE 8 -8.772 13.238 -16.152 66 HD12 ILE 8 HD12 ILE 8 -9.678 14.750 -16.210 67 HD13 ILE 8 HD13 ILE 8 -10.373 13.279 -16.890 68 H ASP 9 H ASP 9 -7.876 11.754 -22.001 69 HA ASP 9 HA ASP 9 -6.546 9.228 -21.359 70 HB2 ASP 9 HB2 ASP 9 -7.776 10.397 -23.776 71 HB3 ASP 9 HB3 ASP 9 -6.312 9.458 -24.057 72 H HIS 10 H HIS 10 -4.392 8.815 -21.903 73 HA HIS 10 HA HIS 10 -2.666 10.596 -23.205 74 HB2 HIS 10 HB2 HIS 10 -3.329 11.622 -20.764 75 HB3 HIS 10 HB3 HIS 10 -1.875 10.711 -20.370 76 HD1 HIS 10 HD1 HIS 10 -3.065 13.673 -22.315 77 HD2 HIS 10 HD2 HIS 10 0.503 11.738 -21.427 78 HE1 HIS 10 HE1 HIS 10 -1.245 15.246 -23.051 79 H TYR 11 H TYR 11 -0.504 9.843 -23.281 80 HA TYR 11 HA TYR 11 0.254 7.512 -21.755 81 HB2 TYR 11 HB2 TYR 11 -1.186 6.761 -23.777 82 HB3 TYR 11 HB3 TYR 11 0.226 7.178 -24.742 83 HD1 TYR 11 HD1 TYR 11 2.502 6.145 -23.799 84 HD2 TYR 11 HD2 TYR 11 -1.385 4.577 -23.067 85 HE1 TYR 11 HE1 TYR 11 3.487 3.943 -23.318 86 HE2 TYR 11 HE2 TYR 11 -0.410 2.372 -22.582 87 HH TYR 11 HH TYR 11 1.904 1.175 -23.347 88 H GLU 12 H GLU 12 2.230 8.094 -21.151 89 HA GLU 12 HA GLU 12 4.316 8.448 -23.050 90 HB2 GLU 12 HB2 GLU 12 2.914 10.793 -22.362 91 HB3 GLU 12 HB3 GLU 12 4.435 10.861 -21.483 92 HG2 GLU 12 HG2 GLU 12 5.704 10.771 -23.457 93 HG3 GLU 12 HG3 GLU 12 4.316 10.269 -24.421 94 H ASN 13 H ASN 13 6.423 8.973 -21.941 95 HA ASN 13 HA ASN 13 6.668 8.806 -19.131 96 HB2 ASN 13 HB2 ASN 13 5.927 6.413 -19.947 97 HB3 ASN 13 HB3 ASN 13 7.622 6.271 -20.405 98 HD21 ASN 13 HD21 ASN 13 7.427 4.503 -18.787 99 HD22 ASN 13 HD22 ASN 13 7.738 4.898 -17.134 100 HA PRO 14 HA PRO 14 10.348 10.211 -21.612 101 HB2 PRO 14 HB2 PRO 14 10.573 12.613 -20.368 102 HB3 PRO 14 HB3 PRO 14 9.536 12.354 -21.776 103 HG2 PRO 14 HG2 PRO 14 8.805 12.438 -18.874 104 HG3 PRO 14 HG3 PRO 14 7.968 13.162 -20.260 105 HD2 PRO 14 HD2 PRO 14 7.159 10.844 -19.117 106 HD3 PRO 14 HD3 PRO 14 6.962 11.174 -20.851 107 H ARG 15 H ARG 15 12.476 10.986 -20.718 108 HA ARG 15 HA ARG 15 13.032 10.754 -17.942 109 HB2 ARG 15 HB2 ARG 15 12.763 8.306 -19.185 110 HB3 ARG 15 HB3 ARG 15 14.498 8.585 -19.247 111 HG2 ARG 15 HG2 ARG 15 14.753 8.316 -17.032 112 HG3 ARG 15 HG3 ARG 15 13.236 9.133 -16.652 113 HD2 ARG 15 HD2 ARG 15 11.997 7.212 -16.832 114 HD3 ARG 15 HD3 ARG 15 13.122 6.466 -17.966 115 HE ARG 15 HE ARG 15 14.345 6.769 -15.438 116 HH11 ARG 15 HH11 ARG 15 11.948 4.870 -17.101 117 HH12 ARG 15 HH12 ARG 15 12.165 3.476 -16.095 118 HH21 ARG 15 HH21 ARG 15 14.640 4.940 -14.106 119 HH22 ARG 15 HH22 ARG 15 13.696 3.517 -14.392 120 H ASN 16 H ASN 16 13.574 12.552 -20.117 121 HA ASN 16 HA ASN 16 16.408 12.877 -19.703 122 HB2 ASN 16 HB2 ASN 16 16.143 11.309 -21.705 123 HB3 ASN 16 HB3 ASN 16 15.465 12.691 -22.562 124 HD21 ASN 16 HD21 ASN 16 18.314 11.494 -20.894 125 HD22 ASN 16 HD22 ASN 16 19.447 12.511 -21.711 126 H VAL 17 H VAL 17 13.897 14.302 -19.166 127 HA VAL 17 HA VAL 17 14.646 16.860 -20.394 128 HB VAL 17 HB VAL 17 12.722 16.059 -21.664 129 HG11 VAL 17 HG11 VAL 17 11.036 16.171 -19.192 130 HG12 VAL 17 HG12 VAL 17 10.697 15.396 -20.741 131 HG13 VAL 17 HG13 VAL 17 11.879 14.688 -19.640 132 HG21 VAL 17 HG21 VAL 17 11.848 18.253 -19.793 133 HG22 VAL 17 HG22 VAL 17 13.001 18.484 -21.107 134 HG23 VAL 17 HG23 VAL 17 11.343 18.000 -21.464 135 H GLY 18 H GLY 18 14.771 18.491 -18.975 136 HA2 GLY 18 HA2 GLY 18 14.648 19.657 -17.002 137 HA3 GLY 18 HA3 GLY 18 13.104 18.858 -16.744 138 H SER 19 H SER 19 16.263 17.310 -17.040 139 HA SER 19 HA SER 19 15.847 16.119 -14.399 140 HB2 SER 19 HB2 SER 19 16.614 14.977 -16.761 141 HB3 SER 19 HB3 SER 19 18.173 15.238 -15.978 142 HG SER 19 HG SER 19 17.733 13.602 -14.755 143 H PHE 20 H PHE 20 17.496 16.086 -12.819 144 HA PHE 20 HA PHE 20 18.874 18.524 -12.502 145 HB2 PHE 20 HB2 PHE 20 19.974 17.338 -10.559 146 HB3 PHE 20 HB3 PHE 20 18.214 17.342 -10.538 147 HD1 PHE 20 HD1 PHE 20 21.170 15.269 -11.352 148 HD2 PHE 20 HD2 PHE 20 17.004 15.339 -10.481 149 HE1 PHE 20 HE1 PHE 20 21.173 12.817 -11.158 150 HE2 PHE 20 HE2 PHE 20 17.001 12.886 -10.284 151 HZ PHE 20 HZ PHE 20 19.088 11.622 -10.621 152 H ASP 21 H ASP 21 19.660 15.716 -14.231 153 HA ASP 21 HA ASP 21 21.488 15.092 -15.434 154 HB2 ASP 21 HB2 ASP 21 21.414 17.633 -15.928 155 HB3 ASP 21 HB3 ASP 21 22.773 17.739 -14.812 156 H ASN 22 H ASN 22 21.653 13.772 -13.329 157 HA ASN 22 HA ASN 22 23.048 12.669 -11.907 158 HB2 ASN 22 HB2 ASN 22 24.824 14.000 -13.748 159 HB3 ASN 22 HB3 ASN 22 25.538 13.964 -12.139 160 HD21 ASN 22 HD21 ASN 22 25.637 12.417 -14.903 161 HD22 ASN 22 HD22 ASN 22 25.870 10.788 -14.378 162 H ASN 23 H ASN 23 24.677 15.822 -11.835 163 HA ASN 23 HA ASN 23 23.411 16.873 -9.583 164 HB2 ASN 23 HB2 ASN 23 25.346 14.792 -8.992 165 HB3 ASN 23 HB3 ASN 23 25.809 16.325 -8.258 166 HD21 ASN 23 HD21 ASN 23 24.067 17.449 -7.043 167 HD22 ASN 23 HD22 ASN 23 22.991 16.474 -6.106 168 H ASP 24 H ASP 24 25.156 18.393 -8.350 169 HA ASP 24 HA ASP 24 27.090 19.485 -10.227 170 HB2 ASP 24 HB2 ASP 24 24.689 20.538 -10.498 171 HB3 ASP 24 HB3 ASP 24 25.149 21.435 -9.053 172 H GLU 25 H GLU 25 26.822 18.268 -7.431 173 HA GLU 25 HA GLU 25 27.945 18.437 -5.459 174 HB2 GLU 25 HB2 GLU 25 30.012 19.354 -5.540 175 HB3 GLU 25 HB3 GLU 25 29.649 19.519 -7.252 176 HG2 GLU 25 HG2 GLU 25 30.148 21.667 -6.988 177 HG3 GLU 25 HG3 GLU 25 28.579 21.808 -6.197 178 H ASN 26 H ASN 26 25.643 20.390 -6.418 179 HA ASN 26 HA ASN 26 25.244 21.540 -3.825 180 HB2 ASN 26 HB2 ASN 26 25.016 23.906 -4.805 181 HB3 ASN 26 HB3 ASN 26 26.644 23.305 -4.509 182 HD21 ASN 26 HD21 ASN 26 24.187 23.379 -7.064 183 HD22 ASN 26 HD22 ASN 26 25.297 23.657 -8.359 184 H VAL 27 H VAL 27 23.938 19.795 -5.843 185 HA VAL 27 HA VAL 27 21.515 21.336 -6.445 186 HB VAL 27 HB VAL 27 22.377 18.604 -7.405 187 HG11 VAL 27 HG11 VAL 27 20.294 19.662 -8.987 188 HG12 VAL 27 HG12 VAL 27 20.259 18.230 -7.956 189 HG13 VAL 27 HG13 VAL 27 19.786 19.800 -7.305 190 HG21 VAL 27 HG21 VAL 27 23.204 19.573 -9.262 191 HG22 VAL 27 HG22 VAL 27 21.945 20.807 -9.307 192 HG23 VAL 27 HG23 VAL 27 23.329 20.999 -8.232 193 H GLY 28 H GLY 28 19.667 21.032 -5.363 194 HA2 GLY 28 HA2 GLY 28 19.642 18.978 -3.268 195 HA3 GLY 28 HA3 GLY 28 18.605 20.396 -3.333 196 H SER 29 H SER 29 18.482 17.189 -3.454 197 HA SER 29 HA SER 29 16.288 17.149 -5.422 198 HB2 SER 29 HB2 SER 29 17.868 14.736 -4.530 199 HB3 SER 29 HB3 SER 29 16.779 14.869 -5.910 200 HG SER 29 HG SER 29 18.520 15.339 -6.980 201 H GLY 30 H GLY 30 14.315 16.469 -4.780 202 HA2 GLY 30 HA2 GLY 30 14.035 15.094 -2.212 203 HA3 GLY 30 HA3 GLY 30 13.246 16.656 -2.381 204 H MET 31 H MET 31 12.470 13.611 -2.239 205 HA MET 31 HA MET 31 10.363 13.847 -4.280 206 HB2 MET 31 HB2 MET 31 12.144 12.181 -4.900 207 HB3 MET 31 HB3 MET 31 11.686 11.253 -3.478 208 HG2 MET 31 HG2 MET 31 9.342 11.828 -4.986 209 HG3 MET 31 HG3 MET 31 10.569 11.168 -6.064 210 HE1 MET 31 HE1 MET 31 8.841 10.399 -2.451 211 HE2 MET 31 HE2 MET 31 7.790 10.551 -3.859 212 HE3 MET 31 HE3 MET 31 8.013 8.979 -3.090 213 H VAL 32 H VAL 32 8.338 13.519 -3.574 214 HA VAL 32 HA VAL 32 7.939 12.196 -0.982 215 HB VAL 32 HB VAL 32 6.345 13.877 -0.269 216 HG11 VAL 32 HG11 VAL 32 8.895 15.240 -1.120 217 HG12 VAL 32 HG12 VAL 32 7.858 15.667 0.242 218 HG13 VAL 32 HG13 VAL 32 8.761 14.151 0.261 219 HG21 VAL 32 HG21 VAL 32 6.763 16.068 -1.926 220 HG22 VAL 32 HG22 VAL 32 6.543 14.712 -3.032 221 HG23 VAL 32 HG23 VAL 32 5.306 15.079 -1.831 222 H GLY 33 H GLY 33 5.943 11.166 -0.712 223 HA2 GLY 33 HA2 GLY 33 3.965 11.287 -2.829 224 HA3 GLY 33 HA3 GLY 33 4.838 9.765 -2.724 225 H ALA 34 H ALA 34 2.583 8.986 -2.367 226 HA ALA 34 HA ALA 34 2.178 8.557 0.446 227 HB1 ALA 34 HB1 ALA 34 0.632 10.581 -0.934 228 HB2 ALA 34 HB2 ALA 34 -0.393 9.324 -0.241 229 HB3 ALA 34 HB3 ALA 34 0.730 10.213 0.788 230 HA PRO 35 HA PRO 35 0.664 4.730 -1.100 231 HB2 PRO 35 HB2 PRO 35 -0.805 3.913 1.032 232 HB3 PRO 35 HB3 PRO 35 0.963 3.914 1.027 233 HG2 PRO 35 HG2 PRO 35 -0.929 5.915 2.202 234 HG3 PRO 35 HG3 PRO 35 0.562 5.246 2.890 235 HD2 PRO 35 HD2 PRO 35 0.462 7.690 1.728 236 HD3 PRO 35 HD3 PRO 35 1.910 6.664 1.671 237 H ALA 36 H ALA 36 -1.820 6.617 0.637 238 HA ALA 36 HA ALA 36 -3.953 5.481 -0.922 239 HB1 ALA 36 HB1 ALA 36 -3.706 7.143 1.438 240 HB2 ALA 36 HB2 ALA 36 -4.980 7.711 0.358 241 HB3 ALA 36 HB3 ALA 36 -5.005 6.052 0.955 242 H CYS 37 H CYS 37 -1.883 8.235 -1.153 243 HA CYS 37 HA CYS 37 -3.588 9.761 -2.885 244 HB2 CYS 37 HB2 CYS 37 -1.725 10.659 -1.368 245 HB3 CYS 37 HB3 CYS 37 -0.607 10.101 -2.606 246 HG CYS 37 HG CYS 37 -0.733 12.242 -3.998 247 H GLY 38 H GLY 38 -1.144 7.312 -3.273 248 HA2 GLY 38 HA2 GLY 38 -0.270 6.280 -5.131 249 HA3 GLY 38 HA3 GLY 38 -1.855 6.569 -5.833 250 H ALA 39 H ALA 39 1.000 8.546 -5.008 251 HA ALA 39 HA ALA 39 1.439 9.251 -7.752 252 HB1 ALA 39 HB1 ALA 39 0.933 11.707 -6.229 253 HB2 ALA 39 HB2 ALA 39 0.525 11.296 -7.896 254 HB3 ALA 39 HB3 ALA 39 -0.502 10.740 -6.574 255 H VAL 40 H VAL 40 3.171 11.026 -7.885 256 HA VAL 40 HA VAL 40 4.923 11.064 -5.543 257 HB VAL 40 HB VAL 40 5.969 10.286 -8.264 258 HG11 VAL 40 HG11 VAL 40 7.417 9.799 -5.716 259 HG12 VAL 40 HG12 VAL 40 8.046 10.158 -7.325 260 HG13 VAL 40 HG13 VAL 40 7.359 11.448 -6.337 261 HG21 VAL 40 HG21 VAL 40 5.410 8.518 -5.884 262 HG22 VAL 40 HG22 VAL 40 4.531 8.509 -7.413 263 HG23 VAL 40 HG23 VAL 40 6.225 8.020 -7.367 264 H MET 41 H MET 41 5.851 12.993 -5.250 265 HA MET 41 HA MET 41 5.923 14.859 -7.529 266 HB2 MET 41 HB2 MET 41 5.396 15.570 -4.639 267 HB3 MET 41 HB3 MET 41 5.432 16.688 -5.995 268 HG2 MET 41 HG2 MET 41 3.561 14.485 -6.362 269 HG3 MET 41 HG3 MET 41 3.203 15.490 -4.959 270 HE1 MET 41 HE1 MET 41 4.162 18.692 -6.466 271 HE2 MET 41 HE2 MET 41 2.439 18.852 -6.127 272 HE3 MET 41 HE3 MET 41 3.473 17.940 -5.027 273 H LYS 42 H LYS 42 8.003 14.990 -8.094 274 HA LYS 42 HA LYS 42 9.989 15.407 -5.956 275 HB2 LYS 42 HB2 LYS 42 11.656 14.421 -7.538 276 HB3 LYS 42 HB3 LYS 42 10.430 13.287 -6.988 277 HG2 LYS 42 HG2 LYS 42 9.192 13.871 -9.153 278 HG3 LYS 42 HG3 LYS 42 10.725 14.572 -9.677 279 HD2 LYS 42 HD2 LYS 42 10.520 11.760 -8.631 280 HD3 LYS 42 HD3 LYS 42 10.272 12.151 -10.334 281 HE2 LYS 42 HE2 LYS 42 12.644 13.448 -9.504 282 HE3 LYS 42 HE3 LYS 42 12.719 11.790 -8.910 283 HZ1 LYS 42 HZ1 LYS 42 13.024 12.757 -11.561 284 HZ2 LYS 42 HZ2 LYS 42 11.781 11.613 -11.492 285 HZ3 LYS 42 HZ3 LYS 42 13.331 11.211 -10.946 286 H LEU 43 H LEU 43 11.470 17.043 -6.200 287 HA LEU 43 HA LEU 43 11.330 18.664 -8.641 288 HB2 LEU 43 HB2 LEU 43 10.365 19.402 -6.035 289 HB3 LEU 43 HB3 LEU 43 11.686 20.464 -6.520 290 HG LEU 43 HG LEU 43 10.383 20.834 -8.678 291 HD11 LEU 43 HD11 LEU 43 7.837 20.545 -8.123 292 HD12 LEU 43 HD12 LEU 43 8.429 19.243 -7.092 293 HD13 LEU 43 HD13 LEU 43 8.766 19.219 -8.823 294 HD21 LEU 43 HD21 LEU 43 9.169 22.625 -7.743 295 HD22 LEU 43 HD22 LEU 43 10.565 22.396 -6.689 296 HD23 LEU 43 HD23 LEU 43 8.980 21.794 -6.198 297 H GLN 44 H GLN 44 13.204 19.827 -9.134 298 HA GLN 44 HA GLN 44 15.565 19.097 -7.528 299 HB2 GLN 44 HB2 GLN 44 15.511 19.633 -10.500 300 HB3 GLN 44 HB3 GLN 44 16.875 19.052 -9.554 301 HG2 GLN 44 HG2 GLN 44 16.119 17.129 -10.562 302 HG3 GLN 44 HG3 GLN 44 15.326 17.062 -8.989 303 HE21 GLN 44 HE21 GLN 44 13.958 15.545 -10.266 304 HE22 GLN 44 HE22 GLN 44 12.601 16.209 -11.104 305 H ILE 45 H ILE 45 16.744 20.711 -6.728 306 HA ILE 45 HA ILE 45 16.301 23.418 -7.809 307 HB ILE 45 HB ILE 45 16.827 24.284 -5.555 308 HG12 ILE 45 HG12 ILE 45 16.318 22.034 -3.941 309 HG13 ILE 45 HG13 ILE 45 17.529 21.522 -5.111 310 HG21 ILE 45 HG21 ILE 45 14.504 22.415 -5.900 311 HG22 ILE 45 HG22 ILE 45 14.695 23.410 -4.458 312 HG23 ILE 45 HG23 ILE 45 14.537 24.173 -6.040 313 HD11 ILE 45 HD11 ILE 45 17.729 23.439 -2.890 314 HD12 ILE 45 HD12 ILE 45 18.938 22.350 -3.571 315 HD13 ILE 45 HD13 ILE 45 18.575 23.877 -4.374 316 H LYS 46 H LYS 46 18.128 24.928 -7.451 317 HA LYS 46 HA LYS 46 20.738 23.576 -7.404 318 HB2 LYS 46 HB2 LYS 46 19.702 24.337 -9.743 319 HB3 LYS 46 HB3 LYS 46 20.381 25.883 -9.251 320 HG2 LYS 46 HG2 LYS 46 22.007 23.362 -9.269 321 HG3 LYS 46 HG3 LYS 46 21.829 24.383 -10.698 322 HD2 LYS 46 HD2 LYS 46 22.550 26.292 -9.065 323 HD3 LYS 46 HD3 LYS 46 23.203 24.961 -8.107 324 HE2 LYS 46 HE2 LYS 46 24.923 25.840 -9.557 325 HE3 LYS 46 HE3 LYS 46 24.487 24.213 -10.075 326 HZ1 LYS 46 HZ1 LYS 46 23.244 25.078 -11.877 327 HZ2 LYS 46 HZ2 LYS 46 24.736 25.875 -11.900 328 HZ3 LYS 46 HZ3 LYS 46 23.364 26.666 -11.305 329 H VAL 47 H VAL 47 21.706 24.343 -5.642 330 HA VAL 47 HA VAL 47 21.316 27.147 -4.885 331 HB VAL 47 HB VAL 47 22.705 24.989 -3.295 332 HG11 VAL 47 HG11 VAL 47 21.958 26.611 -1.422 333 HG12 VAL 47 HG12 VAL 47 23.370 27.023 -2.397 334 HG13 VAL 47 HG13 VAL 47 21.816 27.790 -2.725 335 HG21 VAL 47 HG21 VAL 47 19.915 25.322 -3.861 336 HG22 VAL 47 HG22 VAL 47 20.715 24.085 -2.891 337 HG23 VAL 47 HG23 VAL 47 20.215 25.603 -2.146 338 H ASN 48 H ASN 48 23.015 28.574 -4.609 339 HA ASN 48 HA ASN 48 25.497 27.808 -5.971 340 HB2 ASN 48 HB2 ASN 48 25.779 30.035 -6.581 341 HB3 ASN 48 HB3 ASN 48 24.027 29.863 -6.622 342 HD21 ASN 48 HD21 ASN 48 22.895 30.458 -4.581 343 HD22 ASN 48 HD22 ASN 48 23.482 31.835 -3.719 344 H ASP 49 H ASP 49 27.256 29.650 -5.034 345 HA ASP 49 HA ASP 49 28.209 28.500 -2.674 346 HB2 ASP 49 HB2 ASP 49 29.062 30.504 -4.509 347 HB3 ASP 49 HB3 ASP 49 29.221 31.161 -2.882 348 H GLU 50 H GLU 50 26.578 31.628 -3.158 349 HA GLU 50 HA GLU 50 26.590 32.554 -0.562 350 HB2 GLU 50 HB2 GLU 50 25.354 33.285 -2.958 351 HB3 GLU 50 HB3 GLU 50 24.030 33.067 -1.822 352 HG2 GLU 50 HG2 GLU 50 24.881 35.381 -1.921 353 HG3 GLU 50 HG3 GLU 50 24.975 34.664 -0.313 354 H GLY 51 H GLY 51 24.097 30.525 -2.103 355 HA2 GLY 51 HA2 GLY 51 23.335 28.610 -0.698 356 HA3 GLY 51 HA3 GLY 51 23.201 29.773 0.612 357 H ILE 52 H ILE 52 22.288 30.670 -2.615 358 HA ILE 52 HA ILE 52 19.455 30.519 -1.815 359 HB ILE 52 HB ILE 52 20.913 32.674 -3.324 360 HG12 ILE 52 HG12 ILE 52 19.539 34.070 -1.661 361 HG13 ILE 52 HG13 ILE 52 19.207 32.547 -0.842 362 HG21 ILE 52 HG21 ILE 52 17.987 32.013 -3.354 363 HG22 ILE 52 HG22 ILE 52 18.569 33.654 -3.630 364 HG23 ILE 52 HG23 ILE 52 19.060 32.351 -4.713 365 HD11 ILE 52 HD11 ILE 52 22.037 33.042 -1.410 366 HD12 ILE 52 HD12 ILE 52 21.288 34.174 -0.283 367 HD13 ILE 52 HD13 ILE 52 21.253 32.443 0.052 368 H ILE 53 H ILE 53 18.003 29.727 -3.266 369 HA ILE 53 HA ILE 53 18.889 28.006 -5.293 370 HB ILE 53 HB ILE 53 16.138 29.204 -4.946 371 HG12 ILE 53 HG12 ILE 53 16.960 27.993 -2.953 372 HG13 ILE 53 HG13 ILE 53 15.609 27.164 -3.719 373 HG21 ILE 53 HG21 ILE 53 15.690 26.813 -6.062 374 HG22 ILE 53 HG22 ILE 53 15.901 28.289 -7.003 375 HG23 ILE 53 HG23 ILE 53 17.255 27.180 -6.787 376 HD11 ILE 53 HD11 ILE 53 16.820 25.324 -3.828 377 HD12 ILE 53 HD12 ILE 53 17.992 26.151 -4.854 378 HD13 ILE 53 HD13 ILE 53 18.187 26.168 -3.101 379 H GLU 54 H GLU 54 19.617 28.430 -7.262 380 HA GLU 54 HA GLU 54 18.890 30.994 -8.510 381 HB2 GLU 54 HB2 GLU 54 21.253 30.870 -8.179 382 HB3 GLU 54 HB3 GLU 54 21.322 29.239 -8.831 383 HG2 GLU 54 HG2 GLU 54 22.183 30.982 -10.365 384 HG3 GLU 54 HG3 GLU 54 20.867 30.022 -11.036 385 H ASP 55 H ASP 55 18.799 27.558 -8.843 386 HA ASP 55 HA ASP 55 17.362 27.873 -11.384 387 HB2 ASP 55 HB2 ASP 55 19.897 26.604 -11.056 388 HB3 ASP 55 HB3 ASP 55 18.704 25.363 -11.430 389 H ALA 56 H ALA 56 15.616 26.541 -11.665 390 HA ALA 56 HA ALA 56 15.095 24.500 -9.624 391 HB1 ALA 56 HB1 ALA 56 13.973 26.861 -9.259 392 HB2 ALA 56 HB2 ALA 56 12.817 26.230 -10.433 393 HB3 ALA 56 HB3 ALA 56 13.102 25.364 -8.923 394 H ARG 57 H ARG 57 14.755 22.652 -10.654 395 HA ARG 57 HA ARG 57 13.630 22.706 -13.361 396 HB2 ARG 57 HB2 ARG 57 15.778 21.317 -12.279 397 HB3 ARG 57 HB3 ARG 57 14.508 20.105 -12.392 398 HG2 ARG 57 HG2 ARG 57 14.524 20.097 -14.652 399 HG3 ARG 57 HG3 ARG 57 14.915 21.814 -14.765 400 HD2 ARG 57 HD2 ARG 57 16.969 19.963 -13.668 401 HD3 ARG 57 HD3 ARG 57 16.669 19.943 -15.406 402 HE ARG 57 HE ARG 57 16.978 22.586 -14.792 403 HH11 ARG 57 HH11 ARG 57 18.892 19.711 -14.356 404 HH12 ARG 57 HH12 ARG 57 20.407 20.547 -14.453 405 HH21 ARG 57 HH21 ARG 57 18.966 23.698 -14.920 406 HH22 ARG 57 HH22 ARG 57 20.447 22.815 -14.773 407 H PHE 58 H PHE 58 11.979 21.200 -13.963 408 HA PHE 58 HA PHE 58 10.344 20.259 -11.701 409 HB2 PHE 58 HB2 PHE 58 8.334 20.788 -13.074 410 HB3 PHE 58 HB3 PHE 58 9.267 22.213 -12.632 411 HD1 PHE 58 HD2 PHE 58 8.370 19.943 -15.377 412 HD2 PHE 58 HD1 PHE 58 10.349 23.550 -14.283 413 HE1 PHE 58 HE2 PHE 58 8.506 20.584 -17.748 414 HE2 PHE 58 HE1 PHE 58 10.486 24.197 -16.652 415 HZ PHE 58 HZ PHE 58 9.566 22.713 -18.389 416 H LYS 59 H LYS 59 9.523 18.236 -11.837 417 HA LYS 59 HA LYS 59 9.163 16.802 -14.250 418 HB2 LYS 59 HB2 LYS 59 11.817 16.839 -13.319 419 HB3 LYS 59 HB3 LYS 59 11.183 15.256 -12.887 420 HG2 LYS 59 HG2 LYS 59 10.440 15.950 -15.580 421 HG3 LYS 59 HG3 LYS 59 12.187 16.061 -15.356 422 HD2 LYS 59 HD2 LYS 59 11.696 13.735 -14.089 423 HD3 LYS 59 HD3 LYS 59 10.406 13.707 -15.293 424 HE2 LYS 59 HE2 LYS 59 13.119 14.449 -16.225 425 HE3 LYS 59 HE3 LYS 59 12.857 12.765 -15.774 426 HZ1 LYS 59 HZ1 LYS 59 12.417 13.052 -18.100 427 HZ2 LYS 59 HZ2 LYS 59 11.327 14.309 -17.796 428 HZ3 LYS 59 HZ3 LYS 59 10.955 12.731 -17.311 429 H THR 60 H THR 60 7.283 15.956 -13.583 430 HA THR 60 HA THR 60 7.336 14.263 -11.175 431 HB THR 60 HB THR 60 6.109 16.380 -10.718 432 HG1 THR 60 HG1 THR 60 4.536 15.308 -9.645 433 HG21 THR 60 HG21 THR 60 4.177 15.356 -12.803 434 HG22 THR 60 HG22 THR 60 5.244 16.748 -12.998 435 HG23 THR 60 HG23 THR 60 3.961 16.781 -11.788 436 H TYR 61 H TYR 61 6.094 12.387 -11.245 437 HA TYR 61 HA TYR 61 4.718 11.772 -13.758 438 HB2 TYR 61 HB2 TYR 61 5.822 9.613 -13.944 439 HB3 TYR 61 HB3 TYR 61 7.025 10.897 -13.944 440 HD1 TYR 61 HD1 TYR 61 8.120 11.436 -11.643 441 HD2 TYR 61 HD2 TYR 61 6.072 7.808 -12.505 442 HE1 TYR 61 HE1 TYR 61 9.299 10.337 -9.786 443 HE2 TYR 61 HE2 TYR 61 7.245 6.699 -10.649 444 HH TYR 61 HH TYR 61 9.726 7.307 -9.415 445 H GLY 62 H GLY 62 2.801 10.851 -13.420 446 HA2 GLY 62 HA2 GLY 62 1.895 8.825 -12.046 447 HA3 GLY 62 HA3 GLY 62 2.175 9.928 -10.707 448 H CYS 63 H CYS 63 -0.269 8.688 -12.152 449 HA CYS 63 HA CYS 63 -2.455 9.282 -12.384 450 HB2 CYS 63 HB2 CYS 63 -1.356 11.310 -10.674 451 HB3 CYS 63 HB3 CYS 63 -2.522 12.043 -11.769 452 HG CYS 63 HG CYS 63 -4.687 11.042 -10.727 453 H GLY 64 H GLY 64 -0.971 12.435 -13.090 454 HA2 GLY 64 HA2 GLY 64 -0.442 13.043 -15.407 455 HA3 GLY 64 HA3 GLY 64 -1.843 12.100 -15.893 456 H SER 65 H SER 65 -0.783 15.143 -15.627 457 HA SER 65 HA SER 65 -3.327 16.311 -15.932 458 HB2 SER 65 HB2 SER 65 -3.532 17.581 -13.876 459 HB3 SER 65 HB3 SER 65 -3.427 15.866 -13.478 460 HG SER 65 HG SER 65 -1.329 16.150 -12.833 461 H ALA 66 H ALA 66 -2.918 18.894 -15.193 462 HA ALA 66 HA ALA 66 -1.033 19.779 -17.139 463 HB1 ALA 66 HB1 ALA 66 -2.083 21.725 -15.179 464 HB2 ALA 66 HB2 ALA 66 -2.015 21.807 -16.940 465 HB3 ALA 66 HB3 ALA 66 -3.274 20.858 -16.150 466 H ILE 67 H ILE 67 -0.843 19.081 -13.791 467 HA ILE 67 HA ILE 67 0.868 19.170 -12.292 468 HB ILE 67 HB ILE 67 2.642 20.032 -14.573 469 HG12 ILE 67 HG12 ILE 67 2.942 17.272 -14.107 470 HG13 ILE 67 HG13 ILE 67 1.207 17.555 -14.197 471 HG21 ILE 67 HG21 ILE 67 3.099 18.861 -11.856 472 HG22 ILE 67 HG22 ILE 67 4.282 18.639 -13.144 473 HG23 ILE 67 HG23 ILE 67 3.857 20.264 -12.608 474 HD11 ILE 67 HD11 ILE 67 1.647 18.779 -16.355 475 HD12 ILE 67 HD12 ILE 67 3.288 18.136 -16.277 476 HD13 ILE 67 HD13 ILE 67 1.914 17.036 -16.378 477 H ALA 68 H ALA 68 -0.615 21.205 -11.895 478 HA ALA 68 HA ALA 68 0.754 23.728 -12.296 479 HB1 ALA 68 HB1 ALA 68 -1.888 23.034 -12.046 480 HB2 ALA 68 HB2 ALA 68 -1.525 23.754 -10.477 481 HB3 ALA 68 HB3 ALA 68 -1.242 24.672 -11.956 482 H SER 69 H SER 69 -0.171 21.666 -9.554 483 HA SER 69 HA SER 69 0.786 23.237 -7.481 484 HB2 SER 69 HB2 SER 69 -0.370 20.773 -7.643 485 HB3 SER 69 HB3 SER 69 1.273 20.344 -7.166 486 HG SER 69 HG SER 69 -0.667 21.804 -5.783 487 H SER 70 H SER 70 2.518 21.251 -9.759 488 HA SER 70 HA SER 70 5.005 21.399 -8.279 489 HB2 SER 70 HB2 SER 70 3.991 19.647 -10.180 490 HB3 SER 70 HB3 SER 70 5.230 20.542 -11.059 491 HG SER 70 HG SER 70 6.367 18.970 -10.117 492 H SER 71 H SER 71 3.666 22.717 -11.289 493 HA SER 71 HA SER 71 5.957 24.181 -12.039 494 HB2 SER 71 HB2 SER 71 3.932 23.590 -13.483 495 HB3 SER 71 HB3 SER 71 3.121 24.958 -12.722 496 HG SER 71 HG SER 71 5.292 26.020 -13.437 497 H LEU 72 H LEU 72 3.508 24.753 -9.691 498 HA LEU 72 HA LEU 72 3.929 27.600 -9.528 499 HB2 LEU 72 HB2 LEU 72 1.785 26.349 -8.969 500 HB3 LEU 72 HB3 LEU 72 2.585 25.865 -7.475 501 HG LEU 72 HG LEU 72 1.015 27.816 -7.286 502 HD11 LEU 72 HD11 LEU 72 3.694 28.827 -6.536 503 HD12 LEU 72 HD12 LEU 72 3.214 27.256 -5.897 504 HD13 LEU 72 HD13 LEU 72 2.224 28.679 -5.573 505 HD21 LEU 72 HD21 LEU 72 1.374 29.801 -8.329 506 HD22 LEU 72 HD22 LEU 72 2.077 28.735 -9.545 507 HD23 LEU 72 HD23 LEU 72 3.122 29.577 -8.400 508 H VAL 73 H VAL 73 4.722 24.782 -7.509 509 HA VAL 73 HA VAL 73 6.120 26.212 -5.522 510 HB VAL 73 HB VAL 73 7.151 24.008 -4.956 511 HG11 VAL 73 HG11 VAL 73 4.985 24.723 -4.032 512 HG12 VAL 73 HG12 VAL 73 4.165 23.935 -5.381 513 HG13 VAL 73 HG13 VAL 73 5.084 22.973 -4.223 514 HG21 VAL 73 HG21 VAL 73 7.302 23.078 -7.196 515 HG22 VAL 73 HG22 VAL 73 6.358 22.013 -6.154 516 HG23 VAL 73 HG23 VAL 73 5.543 23.052 -7.323 517 H THR 74 H THR 74 7.030 25.070 -8.671 518 HA THR 74 HA THR 74 9.848 25.137 -8.297 519 HB THR 74 HB THR 74 9.718 25.455 -10.925 520 HG1 THR 74 HG1 THR 74 7.733 25.485 -11.634 521 HG21 THR 74 HG21 THR 74 10.030 23.205 -11.074 522 HG22 THR 74 HG22 THR 74 8.635 22.835 -10.060 523 HG23 THR 74 HG23 THR 74 10.148 23.358 -9.321 524 H GLU 75 H GLU 75 7.580 27.413 -9.840 525 HA GLU 75 HA GLU 75 9.493 29.391 -10.422 526 HB2 GLU 75 HB2 GLU 75 7.515 30.919 -10.590 527 HB3 GLU 75 HB3 GLU 75 7.381 29.449 -11.544 528 HG2 GLU 75 HG2 GLU 75 5.940 28.461 -9.859 529 HG3 GLU 75 HG3 GLU 75 6.104 29.901 -8.857 530 H TRP 76 H TRP 76 8.012 28.465 -7.481 531 HA TRP 76 HA TRP 76 8.338 30.995 -6.147 532 HB2 TRP 76 HB2 TRP 76 7.092 28.462 -5.576 533 HB3 TRP 76 HB3 TRP 76 8.117 28.941 -4.226 534 HD1 TRP 76 HD1 TRP 76 4.722 29.018 -4.728 535 HE1 TRP 76 HE1 TRP 76 3.551 31.137 -3.854 536 HE3 TRP 76 HE3 TRP 76 8.783 32.103 -4.373 537 HZ2 TRP 76 HZ2 TRP 76 4.255 33.768 -3.113 538 HZ3 TRP 76 HZ3 TRP 76 8.449 34.406 -3.573 539 HH2 TRP 76 HH2 TRP 76 6.231 35.219 -2.957 540 H VAL 77 H VAL 77 9.964 27.832 -6.006 541 HA VAL 77 HA VAL 77 11.941 28.602 -4.146 542 HB VAL 77 HB VAL 77 13.205 26.613 -4.996 543 HG11 VAL 77 HG11 VAL 77 10.655 26.710 -3.693 544 HG12 VAL 77 HG12 VAL 77 10.793 25.220 -4.628 545 HG13 VAL 77 HG13 VAL 77 12.009 25.616 -3.413 546 HG21 VAL 77 HG21 VAL 77 12.446 26.756 -7.334 547 HG22 VAL 77 HG22 VAL 77 12.163 25.160 -6.637 548 HG23 VAL 77 HG23 VAL 77 10.823 26.292 -6.821 549 H LYS 78 H LYS 78 11.728 28.847 -7.631 550 HA LYS 78 HA LYS 78 14.394 29.299 -8.280 551 HB2 LYS 78 HB2 LYS 78 11.795 29.774 -9.516 552 HB3 LYS 78 HB3 LYS 78 12.983 30.991 -9.964 553 HG2 LYS 78 HG2 LYS 78 14.381 28.640 -10.226 554 HG3 LYS 78 HG3 LYS 78 12.760 28.210 -10.776 555 HD2 LYS 78 HD2 LYS 78 13.975 30.749 -11.753 556 HD3 LYS 78 HD3 LYS 78 14.545 29.222 -12.433 557 HE2 LYS 78 HE2 LYS 78 12.737 29.071 -13.715 558 HE3 LYS 78 HE3 LYS 78 11.682 29.217 -12.310 559 HZ1 LYS 78 HZ1 LYS 78 12.450 31.747 -12.636 560 HZ2 LYS 78 HZ2 LYS 78 11.055 31.097 -13.336 561 HZ3 LYS 78 HZ3 LYS 78 12.476 31.225 -14.245 562 H GLY 79 H GLY 79 15.575 30.606 -6.967 563 HA2 GLY 79 HA2 GLY 79 16.499 32.729 -6.575 564 HA3 GLY 79 HA3 GLY 79 15.005 33.460 -7.141 565 H LYS 80 H LYS 80 15.477 30.999 -4.634 566 HA LYS 80 HA LYS 80 14.727 32.946 -2.584 567 HB2 LYS 80 HB2 LYS 80 12.813 31.317 -3.658 568 HB3 LYS 80 HB3 LYS 80 13.370 30.350 -2.300 569 HG2 LYS 80 HG2 LYS 80 11.993 31.524 -1.022 570 HG3 LYS 80 HG3 LYS 80 13.066 32.906 -1.256 571 HD2 LYS 80 HD2 LYS 80 11.742 33.809 -2.936 572 HD3 LYS 80 HD3 LYS 80 10.962 32.265 -3.287 573 HE2 LYS 80 HE2 LYS 80 10.594 33.567 -0.620 574 HE3 LYS 80 HE3 LYS 80 9.654 34.113 -2.007 575 HZ1 LYS 80 HZ1 LYS 80 9.369 31.442 -2.139 576 HZ2 LYS 80 HZ2 LYS 80 8.263 32.490 -1.404 577 HZ3 LYS 80 HZ3 LYS 80 9.419 31.687 -0.465 578 H SER 81 H SER 81 15.842 32.686 -0.749 579 HA SER 81 HA SER 81 18.016 30.984 -0.540 580 HB2 SER 81 HB2 SER 81 18.142 31.638 1.794 581 HB3 SER 81 HB3 SER 81 17.657 33.034 0.832 582 HG SER 81 HG SER 81 16.222 33.050 2.443 583 H LEU 82 H LEU 82 18.277 29.437 1.437 584 HA LEU 82 HA LEU 82 16.644 27.178 0.933 585 HB2 LEU 82 HB2 LEU 82 18.363 27.491 3.368 586 HB3 LEU 82 HB3 LEU 82 17.990 26.027 2.461 587 HG LEU 82 HG LEU 82 19.819 28.262 1.586 588 HD11 LEU 82 HD11 LEU 82 20.225 25.607 2.845 589 HD12 LEU 82 HD12 LEU 82 21.132 27.107 3.040 590 HD13 LEU 82 HD13 LEU 82 21.368 26.114 1.602 591 HD21 LEU 82 HD21 LEU 82 19.505 27.556 -0.493 592 HD22 LEU 82 HD22 LEU 82 18.395 26.302 0.059 593 HD23 LEU 82 HD23 LEU 82 20.128 25.976 -0.019 594 H ASP 83 H ASP 83 16.912 29.347 3.740 595 HA ASP 83 HA ASP 83 14.915 28.107 5.287 596 HB2 ASP 83 HB2 ASP 83 16.321 30.724 5.322 597 HB3 ASP 83 HB3 ASP 83 14.806 30.622 6.214 598 H GLU 84 H GLU 84 14.779 30.771 2.961 599 HA GLU 84 HA GLU 84 12.138 31.556 3.346 600 HB2 GLU 84 HB2 GLU 84 13.953 31.612 0.952 601 HB3 GLU 84 HB3 GLU 84 12.291 32.175 0.835 602 HG2 GLU 84 HG2 GLU 84 13.975 33.247 3.030 603 HG3 GLU 84 HG3 GLU 84 14.286 33.808 1.388 604 H ALA 85 H ALA 85 13.368 29.308 0.862 605 HA ALA 85 HA ALA 85 10.858 28.486 -0.073 606 HB1 ALA 85 HB1 ALA 85 12.134 26.469 -0.920 607 HB2 ALA 85 HB2 ALA 85 12.726 28.047 -1.442 608 HB3 ALA 85 HB3 ALA 85 13.560 27.173 -0.157 609 H GLN 86 H GLN 86 12.936 27.175 2.471 610 HA GLN 86 HA GLN 86 11.348 24.885 2.997 611 HB2 GLN 86 HB2 GLN 86 13.804 25.424 3.682 612 HB3 GLN 86 HB3 GLN 86 13.064 26.191 5.081 613 HG2 GLN 86 HG2 GLN 86 11.999 23.540 4.601 614 HG3 GLN 86 HG3 GLN 86 13.748 23.530 4.824 615 HE21 GLN 86 HE21 GLN 86 14.215 25.418 6.638 616 HE22 GLN 86 HE22 GLN 86 13.411 25.073 8.127 617 H ALA 87 H ALA 87 10.998 28.194 3.781 618 HA ALA 87 HA ALA 87 9.383 27.808 6.132 619 HB1 ALA 87 HB1 ALA 87 8.860 30.361 5.245 620 HB2 ALA 87 HB2 ALA 87 10.126 29.897 6.382 621 HB3 ALA 87 HB3 ALA 87 10.499 30.059 4.666 622 H ILE 88 H ILE 88 8.861 27.726 2.758 623 HA ILE 88 HA ILE 88 6.292 28.668 2.427 624 HB ILE 88 HB ILE 88 7.486 26.212 1.137 625 HG12 ILE 88 HG12 ILE 88 7.380 29.040 0.079 626 HG13 ILE 88 HG13 ILE 88 8.776 28.375 0.920 627 HG21 ILE 88 HG21 ILE 88 5.138 27.928 0.349 628 HG22 ILE 88 HG22 ILE 88 5.880 26.712 -0.690 629 HG23 ILE 88 HG23 ILE 88 5.106 26.228 0.819 630 HD11 ILE 88 HD11 ILE 88 7.606 27.207 -1.591 631 HD12 ILE 88 HD12 ILE 88 8.959 28.337 -1.549 632 HD13 ILE 88 HD13 ILE 88 9.113 26.750 -0.798 633 H LYS 89 H LYS 89 4.236 27.819 2.631 634 HA LYS 89 HA LYS 89 4.008 25.326 4.184 635 HB2 LYS 89 HB2 LYS 89 2.473 27.903 4.533 636 HB3 LYS 89 HB3 LYS 89 1.996 26.381 5.275 637 HG2 LYS 89 HG2 LYS 89 3.225 27.045 7.009 638 HG3 LYS 89 HG3 LYS 89 4.619 26.597 6.023 639 HD2 LYS 89 HD2 LYS 89 5.039 28.793 6.795 640 HD3 LYS 89 HD3 LYS 89 4.562 28.953 5.103 641 HE2 LYS 89 HE2 LYS 89 3.487 30.645 6.509 642 HE3 LYS 89 HE3 LYS 89 2.305 29.559 5.780 643 HZ1 LYS 89 HZ1 LYS 89 1.687 28.768 7.768 644 HZ2 LYS 89 HZ2 LYS 89 2.373 30.188 8.380 645 HZ3 LYS 89 HZ3 LYS 89 3.261 28.748 8.387 646 H ASN 90 H ASN 90 2.333 23.953 3.670 647 HA ASN 90 HA ASN 90 1.463 23.756 1.080 648 HB2 ASN 90 HB2 ASN 90 -0.271 22.213 1.904 649 HB3 ASN 90 HB3 ASN 90 1.278 21.921 2.690 650 HD21 ASN 90 HD21 ASN 90 -1.976 22.358 3.163 651 HD22 ASN 90 HD22 ASN 90 -1.963 22.695 4.858 652 H THR 91 H THR 91 -0.183 25.344 3.783 653 HA THR 91 HA THR 91 -2.611 25.951 2.659 654 HB THR 91 HB THR 91 -2.209 26.531 4.946 655 HG1 THR 91 HG1 THR 91 -2.413 29.091 3.800 656 HG21 THR 91 HG21 THR 91 0.195 27.053 4.724 657 HG22 THR 91 HG22 THR 91 -0.677 28.286 5.634 658 HG23 THR 91 HG23 THR 91 -0.227 28.582 3.955 659 H ASP 92 H ASP 92 0.487 27.526 2.111 660 HA ASP 92 HA ASP 92 -0.554 29.713 0.614 661 HB2 ASP 92 HB2 ASP 92 2.002 28.842 1.548 662 HB3 ASP 92 HB3 ASP 92 2.124 29.174 -0.178 663 H ILE 93 H ILE 93 0.692 26.524 -0.224 664 HA ILE 93 HA ILE 93 0.630 26.965 -3.047 665 HB ILE 93 HB ILE 93 0.783 24.418 -1.435 666 HG12 ILE 93 HG12 ILE 93 3.147 24.514 -2.538 667 HG13 ILE 93 HG13 ILE 93 2.785 26.222 -2.758 668 HG21 ILE 93 HG21 ILE 93 1.723 23.740 -3.876 669 HG22 ILE 93 HG22 ILE 93 0.069 23.454 -3.339 670 HG23 ILE 93 HG23 ILE 93 0.444 24.870 -4.321 671 HD11 ILE 93 HD11 ILE 93 3.019 26.687 -0.571 672 HD12 ILE 93 HD12 ILE 93 2.339 25.143 -0.056 673 HD13 ILE 93 HD13 ILE 93 4.014 25.231 -0.601 674 H ALA 94 H ALA 94 -1.622 25.732 -0.668 675 HA ALA 94 HA ALA 94 -3.458 24.528 -2.441 676 HB1 ALA 94 HB1 ALA 94 -5.068 24.750 -0.560 677 HB2 ALA 94 HB2 ALA 94 -3.536 24.006 -0.101 678 HB3 ALA 94 HB3 ALA 94 -3.856 25.691 0.311 679 H GLU 95 H GLU 95 -3.429 27.758 -0.938 680 HA GLU 95 HA GLU 95 -5.726 28.628 -2.423 681 HB2 GLU 95 HB2 GLU 95 -3.740 30.290 -0.864 682 HB3 GLU 95 HB3 GLU 95 -5.342 30.791 -1.386 683 HG2 GLU 95 HG2 GLU 95 -4.935 28.453 0.443 684 HG3 GLU 95 HG3 GLU 95 -5.049 30.105 1.046 685 H GLU 96 H GLU 96 -2.339 28.528 -2.967 686 HA GLU 96 HA GLU 96 -1.973 30.694 -4.690 687 HB2 GLU 96 HB2 GLU 96 -0.551 28.234 -4.030 688 HB3 GLU 96 HB3 GLU 96 -0.329 28.710 -5.707 689 HG2 GLU 96 HG2 GLU 96 0.064 30.651 -3.460 690 HG3 GLU 96 HG3 GLU 96 1.348 29.564 -3.987 691 H LEU 97 H LEU 97 -2.743 27.309 -5.496 692 HA LEU 97 HA LEU 97 -3.628 28.224 -8.149 693 HB2 LEU 97 HB2 LEU 97 -2.812 25.478 -7.211 694 HB3 LEU 97 HB3 LEU 97 -3.390 25.862 -8.831 695 HG LEU 97 HG LEU 97 -1.112 27.493 -8.050 696 HD11 LEU 97 HD11 LEU 97 -1.024 24.642 -7.479 697 HD12 LEU 97 HD12 LEU 97 0.099 25.924 -7.029 698 HD13 LEU 97 HD13 LEU 97 0.225 25.158 -8.613 699 HD21 LEU 97 HD21 LEU 97 -0.351 26.179 -10.246 700 HD22 LEU 97 HD22 LEU 97 -1.444 27.562 -10.290 701 HD23 LEU 97 HD23 LEU 97 -2.092 25.922 -10.358 702 H GLU 98 H GLU 98 -4.850 27.509 -5.200 703 HA GLU 98 HA GLU 98 -6.881 26.869 -4.389 704 HB2 GLU 98 HB2 GLU 98 -7.638 27.888 -7.125 705 HB3 GLU 98 HB3 GLU 98 -8.833 27.388 -5.936 706 HG2 GLU 98 HG2 GLU 98 -7.188 29.126 -4.546 707 HG3 GLU 98 HG3 GLU 98 -7.343 29.857 -6.143 708 H LEU 99 H LEU 99 -5.752 24.650 -4.692 709 HA LEU 99 HA LEU 99 -6.559 22.894 -6.726 710 HB2 LEU 99 HB2 LEU 99 -5.173 22.731 -4.183 711 HB3 LEU 99 HB3 LEU 99 -6.180 21.315 -4.477 712 HG LEU 99 HG LEU 99 -5.005 21.040 -6.672 713 HD11 LEU 99 HD11 LEU 99 -2.969 22.213 -7.095 714 HD12 LEU 99 HD12 LEU 99 -3.058 23.041 -5.540 715 HD13 LEU 99 HD13 LEU 99 -4.233 23.409 -6.803 716 HD21 LEU 99 HD21 LEU 99 -4.376 20.056 -4.288 717 HD22 LEU 99 HD22 LEU 99 -2.900 20.976 -4.581 718 HD23 LEU 99 HD23 LEU 99 -3.404 19.730 -5.723 719 HA PRO 100 HA PRO 100 -10.694 21.798 -5.737 720 HB2 PRO 100 HB2 PRO 100 -10.744 19.193 -6.497 721 HB3 PRO 100 HB3 PRO 100 -10.689 20.529 -7.652 722 HG2 PRO 100 HG2 PRO 100 -8.462 18.796 -6.655 723 HG3 PRO 100 HG3 PRO 100 -8.794 19.351 -8.306 724 HD2 PRO 100 HD2 PRO 100 -6.929 20.515 -6.725 725 HD3 PRO 100 HD3 PRO 100 -7.862 21.425 -7.930 726 HA PRO 101 HA PRO 101 -10.854 19.956 -1.740 727 HB2 PRO 101 HB2 PRO 101 -13.438 19.125 -1.691 728 HB3 PRO 101 HB3 PRO 101 -12.973 20.826 -1.570 729 HG2 PRO 101 HG2 PRO 101 -13.936 19.292 -3.953 730 HG3 PRO 101 HG3 PRO 101 -14.382 20.922 -3.417 731 HD2 PRO 101 HD2 PRO 101 -12.602 20.479 -5.409 732 HD3 PRO 101 HD3 PRO 101 -12.484 21.873 -4.316 733 H VAL 102 H VAL 102 -11.306 18.146 -4.597 734 HA VAL 102 HA VAL 102 -12.036 15.631 -3.739 735 HB VAL 102 HB VAL 102 -10.641 14.744 -5.620 736 HG11 VAL 102 HG11 VAL 102 -12.856 15.300 -6.165 737 HG12 VAL 102 HG12 VAL 102 -12.536 17.033 -6.063 738 HG13 VAL 102 HG13 VAL 102 -11.874 16.089 -7.399 739 HG21 VAL 102 HG21 VAL 102 -9.685 16.552 -7.138 740 HG22 VAL 102 HG22 VAL 102 -9.780 17.622 -5.740 741 HG23 VAL 102 HG23 VAL 102 -8.774 16.175 -5.675 742 H LYS 103 H LYS 103 -8.822 17.118 -3.689 743 HA LYS 103 HA LYS 103 -8.019 15.432 -1.502 744 HB2 LYS 103 HB2 LYS 103 -7.625 14.164 -3.758 745 HB3 LYS 103 HB3 LYS 103 -6.253 15.252 -3.917 746 HG2 LYS 103 HG2 LYS 103 -5.196 13.563 -2.861 747 HG3 LYS 103 HG3 LYS 103 -5.814 14.391 -1.430 748 HD2 LYS 103 HD2 LYS 103 -6.425 12.186 -1.045 749 HD3 LYS 103 HD3 LYS 103 -7.890 12.874 -1.750 750 HE2 LYS 103 HE2 LYS 103 -7.713 11.648 -3.640 751 HE3 LYS 103 HE3 LYS 103 -5.953 11.744 -3.663 752 HZ1 LYS 103 HZ1 LYS 103 -6.445 9.514 -3.241 753 HZ2 LYS 103 HZ2 LYS 103 -7.662 9.883 -2.127 754 HZ3 LYS 103 HZ3 LYS 103 -6.040 10.140 -1.723 755 H ILE 104 H ILE 104 -8.023 17.711 -0.759 756 HA ILE 104 HA ILE 104 -6.394 19.733 -1.672 757 HB ILE 104 HB ILE 104 -7.017 19.048 1.202 758 HG12 ILE 104 HG12 ILE 104 -9.002 19.416 -0.214 759 HG13 ILE 104 HG13 ILE 104 -8.807 20.698 0.976 760 HG21 ILE 104 HG21 ILE 104 -5.154 20.525 1.206 761 HG22 ILE 104 HG22 ILE 104 -5.877 21.540 -0.040 762 HG23 ILE 104 HG23 ILE 104 -6.581 21.492 1.576 763 HD11 ILE 104 HD11 ILE 104 -9.123 20.951 -1.792 764 HD12 ILE 104 HD12 ILE 104 -8.786 22.225 -0.619 765 HD13 ILE 104 HD13 ILE 104 -7.456 21.411 -1.442 766 H HIS 105 H HIS 105 -5.509 16.827 0.020 767 HA HIS 105 HA HIS 105 -3.035 17.495 1.066 768 HB2 HIS 105 HB2 HIS 105 -4.301 14.987 0.107 769 HB3 HIS 105 HB3 HIS 105 -2.550 14.966 0.292 770 HD1 HIS 105 HD1 HIS 105 -4.332 17.101 2.704 771 HD2 HIS 105 HD2 HIS 105 -3.025 13.163 2.480 772 HE1 HIS 105 HE1 HIS 105 -4.426 16.226 5.060 773 H CYS 106 H CYS 106 -3.993 17.113 -2.233 774 HA CYS 106 HA CYS 106 -1.546 16.535 -3.444 775 HB2 CYS 106 HB2 CYS 106 -4.017 17.971 -4.368 776 HB3 CYS 106 HB3 CYS 106 -2.602 17.879 -5.409 777 HG CYS 106 HG CYS 106 -3.572 15.747 -6.485 778 H SER 107 H SER 107 -2.622 19.381 -1.874 779 HA SER 107 HA SER 107 -0.692 21.105 -3.198 780 HB2 SER 107 HB2 SER 107 -1.934 22.828 -2.425 781 HB3 SER 107 HB3 SER 107 -3.137 21.595 -2.048 782 HG SER 107 HG SER 107 -2.708 21.793 0.017 783 H ILE 108 H ILE 108 -1.042 19.287 -0.256 784 HA ILE 108 HA ILE 108 1.096 20.593 1.144 785 HB ILE 108 HB ILE 108 -0.313 17.975 1.670 786 HG12 ILE 108 HG12 ILE 108 -0.521 20.371 3.431 787 HG13 ILE 108 HG13 ILE 108 -1.392 20.399 1.902 788 HG21 ILE 108 HG21 ILE 108 1.943 19.331 3.066 789 HG22 ILE 108 HG22 ILE 108 0.750 18.450 4.018 790 HG23 ILE 108 HG23 ILE 108 1.671 17.615 2.768 791 HD11 ILE 108 HD11 ILE 108 -1.862 17.904 3.195 792 HD12 ILE 108 HD12 ILE 108 -2.175 19.221 4.326 793 HD13 ILE 108 HD13 ILE 108 -3.008 19.176 2.772 794 H LEU 109 H LEU 109 0.846 18.049 -1.166 795 HA LEU 109 HA LEU 109 3.329 16.769 -0.528 796 HB2 LEU 109 HB2 LEU 109 1.517 16.651 -2.927 797 HB3 LEU 109 HB3 LEU 109 3.009 15.720 -2.803 798 HG LEU 109 HG LEU 109 0.564 15.458 -1.055 799 HD11 LEU 109 HD11 LEU 109 0.654 13.114 -2.023 800 HD12 LEU 109 HD12 LEU 109 1.777 13.763 -3.218 801 HD13 LEU 109 HD13 LEU 109 0.137 14.402 -3.111 802 HD21 LEU 109 HD21 LEU 109 2.224 13.324 -0.539 803 HD22 LEU 109 HD22 LEU 109 1.980 14.724 0.506 804 HD23 LEU 109 HD23 LEU 109 3.337 14.689 -0.621 805 H ALA 110 H ALA 110 2.344 19.459 -2.481 806 HA ALA 110 HA ALA 110 4.669 19.568 -4.131 807 HB1 ALA 110 HB1 ALA 110 2.349 20.650 -4.501 808 HB2 ALA 110 HB2 ALA 110 2.985 21.962 -3.508 809 HB3 ALA 110 HB3 ALA 110 3.793 21.524 -5.013 810 H GLU 111 H GLU 111 3.735 21.024 -1.059 811 HA GLU 111 HA GLU 111 6.122 22.641 -0.913 812 HB2 GLU 111 HB2 GLU 111 5.288 23.386 1.215 813 HB3 GLU 111 HB3 GLU 111 3.948 23.354 0.077 814 HG2 GLU 111 HG2 GLU 111 2.799 22.027 1.415 815 HG3 GLU 111 HG3 GLU 111 4.094 20.831 1.389 816 H ASP 112 H ASP 112 5.178 19.462 -0.032 817 HA ASP 112 HA ASP 112 7.172 19.115 2.021 818 HB2 ASP 112 HB2 ASP 112 5.290 17.232 0.608 819 HB3 ASP 112 HB3 ASP 112 6.505 16.658 1.747 820 H ALA 113 H ALA 113 7.058 18.918 -1.395 821 HA ALA 113 HA ALA 113 9.313 17.122 -1.643 822 HB1 ALA 113 HB1 ALA 113 9.060 18.102 -4.117 823 HB2 ALA 113 HB2 ALA 113 8.038 16.809 -3.488 824 HB3 ALA 113 HB3 ALA 113 7.449 18.471 -3.500 825 H ILE 114 H ILE 114 8.688 20.556 -2.367 826 HA ILE 114 HA ILE 114 11.200 21.306 -3.211 827 HB ILE 114 HB ILE 114 10.670 23.581 -2.362 828 HG12 ILE 114 HG12 ILE 114 8.051 23.471 -1.570 829 HG13 ILE 114 HG13 ILE 114 8.711 22.027 -0.811 830 HG21 ILE 114 HG21 ILE 114 8.278 22.337 -3.696 831 HG22 ILE 114 HG22 ILE 114 8.889 23.981 -3.872 832 HG23 ILE 114 HG23 ILE 114 9.805 22.625 -4.529 833 HD11 ILE 114 HD11 ILE 114 9.086 24.831 -0.143 834 HD12 ILE 114 HD12 ILE 114 9.302 23.386 0.845 835 HD13 ILE 114 HD13 ILE 114 10.596 23.923 -0.225 836 H LYS 115 H LYS 115 10.011 20.934 0.090 837 HA LYS 115 HA LYS 115 12.315 21.993 1.367 838 HB2 LYS 115 HB2 LYS 115 10.071 21.753 2.437 839 HB3 LYS 115 HB3 LYS 115 10.318 20.012 2.476 840 HG2 LYS 115 HG2 LYS 115 12.365 21.777 3.721 841 HG3 LYS 115 HG3 LYS 115 10.839 21.503 4.566 842 HD2 LYS 115 HD2 LYS 115 11.424 19.424 5.145 843 HD3 LYS 115 HD3 LYS 115 11.993 19.047 3.517 844 HE2 LYS 115 HE2 LYS 115 14.142 19.707 3.969 845 HE3 LYS 115 HE3 LYS 115 13.645 20.845 5.220 846 HZ1 LYS 115 HZ1 LYS 115 14.476 19.225 6.534 847 HZ2 LYS 115 HZ2 LYS 115 14.189 17.989 5.416 848 HZ3 LYS 115 HZ3 LYS 115 12.920 18.582 6.364 849 H ALA 116 H ALA 116 11.321 18.724 0.460 850 HA ALA 116 HA ALA 116 13.307 17.256 1.724 851 HB1 ALA 116 HB1 ALA 116 11.643 15.966 0.776 852 HB2 ALA 116 HB2 ALA 116 11.712 16.821 -0.766 853 HB3 ALA 116 HB3 ALA 116 12.993 15.691 -0.326 854 H ALA 117 H ALA 117 13.481 19.263 -1.114 855 HA ALA 117 HA ALA 117 15.999 18.228 -2.031 856 HB1 ALA 117 HB1 ALA 117 14.560 20.775 -2.765 857 HB2 ALA 117 HB2 ALA 117 15.954 20.097 -3.608 858 HB3 ALA 117 HB3 ALA 117 14.420 19.226 -3.596 859 H ILE 118 H ILE 118 14.931 21.046 -0.178 860 HA ILE 118 HA ILE 118 17.417 22.346 -0.015 861 HB ILE 118 HB ILE 118 15.124 22.399 1.950 862 HG12 ILE 118 HG12 ILE 118 15.840 24.247 -0.337 863 HG13 ILE 118 HG13 ILE 118 14.490 23.117 -0.308 864 HG21 ILE 118 HG21 ILE 118 16.091 24.532 2.701 865 HG22 ILE 118 HG22 ILE 118 17.169 23.169 2.996 866 HG23 ILE 118 HG23 ILE 118 17.476 24.260 1.645 867 HD11 ILE 118 HD11 ILE 118 13.354 24.958 0.297 868 HD12 ILE 118 HD12 ILE 118 13.947 24.531 1.903 869 HD13 ILE 118 HD13 ILE 118 14.782 25.759 0.952 870 H ALA 119 H ALA 119 15.986 19.766 1.888 871 HA ALA 119 HA ALA 119 18.008 19.820 3.926 872 HB1 ALA 119 HB1 ALA 119 15.578 18.289 3.366 873 HB2 ALA 119 HB2 ALA 119 16.859 17.356 4.140 874 HB3 ALA 119 HB3 ALA 119 16.255 18.826 4.903 875 H ASP 120 H ASP 120 17.711 18.436 0.798 876 HA ASP 120 HA ASP 120 19.618 16.319 1.214 877 HB2 ASP 120 HB2 ASP 120 17.837 17.184 -0.904 878 HB3 ASP 120 HB3 ASP 120 19.436 16.801 -1.535 879 H TYR 121 H TYR 121 19.675 19.631 0.109 880 HA TYR 121 HA TYR 121 22.244 19.580 -1.085 881 HB2 TYR 121 HB2 TYR 121 20.764 21.377 -1.642 882 HB3 TYR 121 HB3 TYR 121 20.582 21.832 0.048 883 HD1 TYR 121 HD1 TYR 121 23.631 21.109 -1.983 884 HD2 TYR 121 HD2 TYR 121 21.444 23.969 0.285 885 HE1 TYR 121 HE1 TYR 121 25.486 22.706 -2.219 886 HE2 TYR 121 HE2 TYR 121 23.293 25.575 0.054 887 HH TYR 121 HH TYR 121 25.317 25.946 -0.767 888 H LYS 122 H LYS 122 21.147 20.709 2.110 889 HA LYS 122 HA LYS 122 23.644 21.407 3.133 890 HB2 LYS 122 HB2 LYS 122 21.381 20.245 4.757 891 HB3 LYS 122 HB3 LYS 122 22.629 21.359 5.301 892 HG2 LYS 122 HG2 LYS 122 21.597 22.892 3.420 893 HG3 LYS 122 HG3 LYS 122 20.179 21.880 3.707 894 HD2 LYS 122 HD2 LYS 122 21.608 23.036 6.052 895 HD3 LYS 122 HD3 LYS 122 20.580 24.094 5.081 896 HE2 LYS 122 HE2 LYS 122 18.848 23.339 6.255 897 HE3 LYS 122 HE3 LYS 122 19.074 21.782 5.460 898 HZ1 LYS 122 HZ1 LYS 122 20.231 20.939 7.255 899 HZ2 LYS 122 HZ2 LYS 122 19.048 21.881 8.013 900 HZ3 LYS 122 HZ3 LYS 122 20.630 22.465 7.869 901 H SER 123 H SER 123 22.217 18.303 2.624 902 HA SER 123 HA SER 123 23.938 16.889 4.444 903 HB2 SER 123 HB2 SER 123 22.247 15.800 2.181 904 HB3 SER 123 HB3 SER 123 22.948 14.870 3.505 905 HG SER 123 HG SER 123 21.395 15.515 4.779 906 H LYS 124 H LYS 124 24.177 18.072 1.244 907 HA LYS 124 HA LYS 124 26.117 16.190 0.294 908 HB2 LYS 124 HB2 LYS 124 25.295 18.923 -0.698 909 HB3 LYS 124 HB3 LYS 124 26.454 17.891 -1.526 910 HG2 LYS 124 HG2 LYS 124 23.730 16.855 -0.876 911 HG3 LYS 124 HG3 LYS 124 23.974 17.904 -2.275 912 HD2 LYS 124 HD2 LYS 124 25.761 15.543 -1.877 913 HD3 LYS 124 HD3 LYS 124 24.136 15.303 -2.524 914 HE2 LYS 124 HE2 LYS 124 24.729 17.136 -4.203 915 HE3 LYS 124 HE3 LYS 124 26.398 16.909 -3.680 916 HZ1 LYS 124 HZ1 LYS 124 26.107 15.546 -5.552 917 HZ2 LYS 124 HZ2 LYS 124 24.624 14.944 -5.006 918 HZ3 LYS 124 HZ3 LYS 124 26.058 14.490 -4.231 919 H ARG 125 H ARG 125 26.202 19.079 2.185 920 HA ARG 125 HA ARG 125 29.129 19.207 1.927 921 HB2 ARG 125 HB2 ARG 125 28.951 21.473 2.866 922 HB3 ARG 125 HB3 ARG 125 27.998 21.300 1.398 923 HG2 ARG 125 HG2 ARG 125 26.395 22.297 2.596 924 HG3 ARG 125 HG3 ARG 125 26.152 20.691 3.286 925 HD2 ARG 125 HD2 ARG 125 28.125 21.574 4.877 926 HD3 ARG 125 HD3 ARG 125 27.363 23.111 4.473 927 HE ARG 125 HE ARG 125 25.297 21.466 5.197 928 HH11 ARG 125 HH11 ARG 125 28.238 22.574 6.695 929 HH12 ARG 125 HH12 ARG 125 27.599 22.502 8.304 930 HH21 ARG 125 HH21 ARG 125 24.445 21.367 7.310 931 HH22 ARG 125 HH22 ARG 125 25.442 21.814 8.653 932 H GLU 126 H GLU 126 26.722 18.041 3.908 933 HA GLU 126 HA GLU 126 28.047 18.556 6.431 934 HB2 GLU 126 HB2 GLU 126 25.452 17.576 5.566 935 HB3 GLU 126 HB3 GLU 126 26.124 16.587 6.855 936 HG2 GLU 126 HG2 GLU 126 26.463 19.374 7.456 937 HG3 GLU 126 HG3 GLU 126 24.775 19.018 7.096 938 H ALA 127 H ALA 127 27.917 16.064 4.025 939 HA ALA 127 HA ALA 127 29.854 14.507 5.586 940 HB1 ALA 127 HB1 ALA 127 28.372 12.885 5.918 941 HB2 ALA 127 HB2 ALA 127 27.185 13.672 4.877 942 HB3 ALA 127 HB3 ALA 127 28.397 12.598 4.178 943 H LYS 128 H LYS 128 31.612 14.938 4.357 944 HA LYS 128 HA LYS 128 31.839 13.651 1.818 945 HB2 LYS 128 HB2 LYS 128 30.693 15.778 1.188 946 HB3 LYS 128 HB3 LYS 128 32.066 16.666 1.836 947 HG2 LYS 128 HG2 LYS 128 33.352 16.244 0.046 948 HG3 LYS 128 HG3 LYS 128 32.740 14.598 -0.138 949 HD2 LYS 128 HD2 LYS 128 31.122 15.227 -1.579 950 HD3 LYS 128 HD3 LYS 128 30.798 16.733 -0.717 951 HE2 LYS 128 HE2 LYS 128 31.677 17.456 -2.744 952 HE3 LYS 128 HE3 LYS 128 33.068 17.504 -1.662 953 HZ1 LYS 128 HZ1 LYS 128 34.111 16.204 -3.099 954 HZ2 LYS 128 HZ2 LYS 128 32.718 16.013 -4.040 955 HZ3 LYS 128 HZ3 LYS 128 33.016 14.963 -2.748
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