NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627676 | 6fgn | 34231 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 22.335 10.980 13.393 2 HA ALA 1 HA ALA 1 24.642 12.474 12.331 3 HB1 ALA 1 HB1 ALA 1 22.557 11.057 10.607 4 HB2 ALA 1 HB2 ALA 1 23.863 12.113 10.019 5 HB3 ALA 1 HB3 ALA 1 24.258 10.581 10.789 6 H THR 2 H THR 2 23.129 14.045 10.442 7 HA THR 2 HA THR 2 21.754 15.796 12.234 8 HB THR 2 HB THR 2 21.485 15.701 9.202 9 HG1 THR 2 HG1 THR 2 23.368 16.631 9.013 10 HG21 THR 2 HG21 THR 2 20.015 17.313 10.312 11 HG22 THR 2 HG22 THR 2 21.321 18.181 9.499 12 HG23 THR 2 HG23 THR 2 21.379 17.953 11.248 13 H GLN 3 H GLN 3 20.744 13.268 9.869 14 HA GLN 3 HA GLN 3 18.116 13.077 11.197 15 HB2 GLN 3 HB2 GLN 3 17.974 14.464 9.148 16 HB3 GLN 3 HB3 GLN 3 18.628 13.119 8.195 17 HG2 GLN 3 HG2 GLN 3 16.158 13.314 8.009 18 HG3 GLN 3 HG3 GLN 3 16.652 11.767 8.716 19 HE21 GLN 3 HE21 GLN 3 15.498 15.082 9.667 20 HE22 GLN 3 HE22 GLN 3 14.965 14.546 11.245 21 H SER 4 H SER 4 17.379 11.015 11.437 22 HA SER 4 HA SER 4 19.353 8.859 11.063 23 HB2 SER 4 HB2 SER 4 16.741 9.183 12.592 24 HB3 SER 4 HB3 SER 4 17.567 7.629 12.466 25 HG SER 4 HG SER 4 18.151 8.936 14.347 26 HA PRO 5 HA PRO 5 17.217 7.012 7.653 27 HB2 PRO 5 HB2 PRO 5 17.723 4.346 7.921 28 HB3 PRO 5 HB3 PRO 5 19.026 5.534 7.608 29 HG2 PRO 5 HG2 PRO 5 18.203 4.360 10.276 30 HG3 PRO 5 HG3 PRO 5 19.850 4.498 9.580 31 HD2 PRO 5 HD2 PRO 5 18.830 6.323 11.336 32 HD3 PRO 5 HD3 PRO 5 19.944 6.799 10.019 33 H GLY 6 H GLY 6 15.400 5.576 7.153 34 HA2 GLY 6 HA2 GLY 6 13.266 5.765 9.034 35 HA3 GLY 6 HA3 GLY 6 13.227 5.026 7.420 36 H ASP 7 H ASP 7 15.353 3.803 10.057 37 HA ASP 7 HA ASP 7 14.467 1.172 9.617 38 HB2 ASP 7 HB2 ASP 7 15.830 0.460 11.240 39 HB3 ASP 7 HB3 ASP 7 16.628 1.947 10.719 40 H SER 8 H SER 8 13.503 3.203 12.495 41 HA SER 8 HA SER 8 11.564 1.296 13.295 42 HB2 SER 8 HB2 SER 8 12.100 4.135 14.048 43 HB3 SER 8 HB3 SER 8 10.541 3.416 14.517 44 HG SER 8 HG SER 8 12.210 3.014 16.064 45 H ARG 9 H ARG 9 11.358 3.350 10.567 46 HA ARG 9 HA ARG 9 8.546 3.812 10.567 47 HB2 ARG 9 HB2 ARG 9 10.294 3.323 8.124 48 HB3 ARG 9 HB3 ARG 9 8.678 4.020 8.133 49 HG2 ARG 9 HG2 ARG 9 9.426 5.909 9.527 50 HG3 ARG 9 HG3 ARG 9 11.058 5.245 9.601 51 HD2 ARG 9 HD2 ARG 9 11.181 5.435 7.088 52 HD3 ARG 9 HD3 ARG 9 9.647 6.277 7.113 53 HE ARG 9 HE ARG 9 12.259 7.303 7.942 54 HH11 ARG 9 HH11 ARG 9 8.741 7.899 8.287 55 HH12 ARG 9 HH12 ARG 9 9.000 9.567 8.699 56 HH21 ARG 9 HH21 ARG 9 12.531 9.371 8.550 57 HH22 ARG 9 HH22 ARG 9 11.204 10.469 8.711 58 H ARG 10 H ARG 10 10.503 0.890 9.962 59 HA ARG 10 HA ARG 10 8.623 -0.746 8.746 60 HB2 ARG 10 HB2 ARG 10 9.850 -2.614 9.621 61 HB3 ARG 10 HB3 ARG 10 10.997 -1.325 9.260 62 HG2 ARG 10 HG2 ARG 10 10.741 -0.772 11.836 63 HG3 ARG 10 HG3 ARG 10 10.055 -2.395 11.947 64 HD2 ARG 10 HD2 ARG 10 12.082 -3.395 11.111 65 HD3 ARG 10 HD3 ARG 10 12.747 -1.825 10.657 66 HE ARG 10 HE ARG 10 12.984 -1.197 12.928 67 HH11 ARG 10 HH11 ARG 10 12.279 -4.692 12.579 68 HH12 ARG 10 HH12 ARG 10 13.392 -5.112 13.846 69 HH21 ARG 10 HH21 ARG 10 13.892 -1.760 14.893 70 HH22 ARG 10 HH22 ARG 10 14.243 -3.402 15.295 71 H LEU 11 H LEU 11 8.833 -0.101 12.337 72 HA LEU 11 HA LEU 11 6.739 -1.881 12.971 73 HB2 LEU 11 HB2 LEU 11 6.794 -1.009 15.121 74 HB3 LEU 11 HB3 LEU 11 8.424 -0.829 14.520 75 HG LEU 11 HG LEU 11 7.407 1.678 13.985 76 HD11 LEU 11 HD11 LEU 11 5.927 0.711 16.440 77 HD12 LEU 11 HD12 LEU 11 5.221 1.321 14.934 78 HD13 LEU 11 HD13 LEU 11 6.134 2.420 15.967 79 HD21 LEU 11 HD21 LEU 11 8.543 2.415 16.040 80 HD22 LEU 11 HD22 LEU 11 9.484 1.152 15.243 81 HD23 LEU 11 HD23 LEU 11 8.514 0.752 16.673 82 H SER 12 H SER 12 6.607 1.286 11.601 83 HA SER 12 HA SER 12 3.802 1.804 12.338 84 HB2 SER 12 HB2 SER 12 5.542 3.300 10.344 85 HB3 SER 12 HB3 SER 12 4.141 3.899 11.233 86 HG SER 12 HG SER 12 6.587 3.064 12.466 87 H ILE 13 H ILE 13 5.768 1.002 9.485 88 HA ILE 13 HA ILE 13 3.570 0.906 7.652 89 HB ILE 13 HB ILE 13 6.500 0.097 7.483 90 HG12 ILE 13 HG12 ILE 13 5.055 2.459 6.201 91 HG13 ILE 13 HG13 ILE 13 5.829 2.586 7.774 92 HG21 ILE 13 HG21 ILE 13 4.278 0.081 5.443 93 HG22 ILE 13 HG22 ILE 13 5.990 0.173 4.947 94 HG23 ILE 13 HG23 ILE 13 5.408 -1.217 5.853 95 HD11 ILE 13 HD11 ILE 13 8.003 1.912 6.755 96 HD12 ILE 13 HD12 ILE 13 7.232 1.982 5.151 97 HD13 ILE 13 HD13 ILE 13 7.319 3.436 6.153 98 H GLN 14 H GLN 14 5.543 -1.760 9.185 99 HA GLN 14 HA GLN 14 4.289 -3.832 7.794 100 HB2 GLN 14 HB2 GLN 14 5.635 -3.865 10.502 101 HB3 GLN 14 HB3 GLN 14 5.065 -5.310 9.642 102 HG2 GLN 14 HG2 GLN 14 6.429 -4.626 7.645 103 HG3 GLN 14 HG3 GLN 14 7.078 -3.285 8.574 104 HE21 GLN 14 HE21 GLN 14 8.343 -5.815 7.280 105 HE22 GLN 14 HE22 GLN 14 9.319 -6.432 8.617 106 H ARG 15 H ARG 15 3.125 -2.134 10.714 107 HA ARG 15 HA ARG 15 0.931 -3.809 11.273 108 HB2 ARG 15 HB2 ARG 15 1.782 -1.910 12.690 109 HB3 ARG 15 HB3 ARG 15 1.117 -0.777 11.507 110 HG2 ARG 15 HG2 ARG 15 -1.190 -1.897 11.979 111 HG3 ARG 15 HG3 ARG 15 -0.387 -2.714 13.322 112 HD2 ARG 15 HD2 ARG 15 -1.504 -0.718 14.139 113 HD3 ARG 15 HD3 ARG 15 0.250 -0.472 14.243 114 HE ARG 15 HE ARG 15 -0.954 0.487 11.755 115 HH11 ARG 15 HH11 ARG 15 -0.391 1.405 15.166 116 HH12 ARG 15 HH12 ARG 15 -0.416 3.099 14.822 117 HH21 ARG 15 HH21 ARG 15 -1.027 2.671 11.354 118 HH22 ARG 15 HH22 ARG 15 -1.056 3.830 12.642 119 H ALA 16 H ALA 16 1.188 -1.096 8.889 120 HA ALA 16 HA ALA 16 -1.612 -1.307 8.107 121 HB1 ALA 16 HB1 ALA 16 -0.305 0.795 7.839 122 HB2 ALA 16 HB2 ALA 16 0.765 -0.024 6.678 123 HB3 ALA 16 HB3 ALA 16 -0.952 0.197 6.298 124 H ILE 17 H ILE 17 1.427 -2.799 7.146 125 HA ILE 17 HA ILE 17 0.452 -3.781 4.595 126 HB ILE 17 HB ILE 17 2.992 -4.076 6.176 127 HG12 ILE 17 HG12 ILE 17 2.149 -2.827 3.517 128 HG13 ILE 17 HG13 ILE 17 2.644 -1.983 4.982 129 HG21 ILE 17 HG21 ILE 17 2.548 -6.297 5.032 130 HG22 ILE 17 HG22 ILE 17 2.569 -5.391 3.499 131 HG23 ILE 17 HG23 ILE 17 4.021 -5.468 4.510 132 HD11 ILE 17 HD11 ILE 17 4.352 -3.588 3.087 133 HD12 ILE 17 HD12 ILE 17 4.480 -1.885 3.474 134 HD13 ILE 17 HD13 ILE 17 4.919 -3.103 4.699 135 H GLN 18 H GLN 18 0.591 -5.127 7.916 136 HA GLN 18 HA GLN 18 0.276 -7.814 7.242 137 HB2 GLN 18 HB2 GLN 18 -0.374 -8.196 9.445 138 HB3 GLN 18 HB3 GLN 18 0.573 -6.719 9.568 139 HG2 GLN 18 HG2 GLN 18 -1.681 -5.476 9.479 140 HG3 GLN 18 HG3 GLN 18 -2.456 -7.029 9.666 141 HE21 GLN 18 HE21 GLN 18 -1.990 -8.297 11.676 142 HE22 GLN 18 HE22 GLN 18 -1.578 -7.401 13.122 143 H SER 19 H SER 19 -2.159 -5.259 7.380 144 HA SER 19 HA SER 19 -4.423 -6.958 6.801 145 HB2 SER 19 HB2 SER 19 -5.265 -4.383 6.422 146 HB3 SER 19 HB3 SER 19 -5.175 -5.187 7.983 147 HG SER 19 HG SER 19 -3.906 -2.986 7.228 148 H LEU 20 H LEU 20 -2.481 -4.545 4.963 149 HA LEU 20 HA LEU 20 -3.919 -4.696 2.560 150 HB2 LEU 20 HB2 LEU 20 -2.332 -2.952 3.127 151 HB3 LEU 20 HB3 LEU 20 -0.980 -4.072 3.030 152 HG LEU 20 HG LEU 20 -2.725 -3.871 0.595 153 HD11 LEU 20 HD11 LEU 20 -0.794 -1.658 1.428 154 HD12 LEU 20 HD12 LEU 20 -2.563 -1.518 1.227 155 HD13 LEU 20 HD13 LEU 20 -1.540 -1.839 -0.173 156 HD21 LEU 20 HD21 LEU 20 0.312 -3.919 0.954 157 HD22 LEU 20 HD22 LEU 20 -0.583 -4.030 -0.587 158 HD23 LEU 20 HD23 LEU 20 -0.705 -5.325 0.587 159 H VAL 21 H VAL 21 -0.947 -6.534 3.419 160 HA VAL 21 HA VAL 21 -0.763 -7.997 0.987 161 HB VAL 21 HB VAL 21 0.184 -8.591 3.823 162 HG11 VAL 21 HG11 VAL 21 0.843 -10.125 1.278 163 HG12 VAL 21 HG12 VAL 21 1.783 -10.244 2.775 164 HG13 VAL 21 HG13 VAL 21 0.094 -10.775 2.745 165 HG21 VAL 21 HG21 VAL 21 1.140 -6.624 2.487 166 HG22 VAL 21 HG22 VAL 21 2.312 -7.822 3.088 167 HG23 VAL 21 HG23 VAL 21 1.825 -7.828 1.389 168 H HIS 22 H HIS 22 -2.213 -8.924 4.153 169 HA HIS 22 HA HIS 22 -3.143 -11.427 3.339 170 HB2 HIS 22 HB2 HIS 22 -3.079 -10.806 5.665 171 HB3 HIS 22 HB3 HIS 22 -4.235 -9.486 5.399 172 HD1 HIS 22 HD1 HIS 22 -4.168 -13.354 5.243 173 HD2 HIS 22 HD2 HIS 22 -6.789 -10.047 5.225 174 HE1 HIS 22 HE1 HIS 22 -6.576 -14.287 5.216 175 H ALA 23 H ALA 23 -4.851 -8.230 3.163 176 HA ALA 23 HA ALA 23 -7.249 -9.347 2.101 177 HB1 ALA 23 HB1 ALA 23 -6.130 -6.531 1.873 178 HB2 ALA 23 HB2 ALA 23 -7.818 -7.029 1.585 179 HB3 ALA 23 HB3 ALA 23 -7.108 -7.182 3.215 180 H ALA 24 H ALA 24 -4.206 -8.336 0.532 181 HA ALA 24 HA ALA 24 -5.329 -8.119 -2.110 182 HB1 ALA 24 HB1 ALA 24 -2.460 -8.833 -1.264 183 HB2 ALA 24 HB2 ALA 24 -2.982 -8.377 -2.887 184 HB3 ALA 24 HB3 ALA 24 -3.072 -7.197 -1.574 185 H GLN 25 H GLN 25 -3.591 -10.748 -0.343 186 HA GLN 25 HA GLN 25 -4.193 -12.721 -2.393 187 HB2 GLN 25 HB2 GLN 25 -2.946 -14.225 -1.087 188 HB3 GLN 25 HB3 GLN 25 -2.075 -12.706 -1.099 189 HG2 GLN 25 HG2 GLN 25 -2.530 -12.296 1.190 190 HG3 GLN 25 HG3 GLN 25 -3.894 -13.405 1.243 191 HE21 GLN 25 HE21 GLN 25 -3.334 -15.153 2.652 192 HE22 GLN 25 HE22 GLN 25 -1.731 -15.878 2.551 193 H CYS 26 H CYS 26 -6.309 -11.422 -0.265 194 HA CYS 26 HA CYS 26 -7.478 -13.849 0.865 195 HB2 CYS 26 HB2 CYS 26 -7.556 -11.858 2.158 196 HB3 CYS 26 HB3 CYS 26 -8.322 -10.976 0.834 197 H ARG 27 H ARG 27 -7.853 -15.096 -0.919 198 HA ARG 27 HA ARG 27 -10.344 -14.419 -2.395 199 HB2 ARG 27 HB2 ARG 27 -9.287 -15.234 -4.501 200 HB3 ARG 27 HB3 ARG 27 -8.749 -13.658 -3.949 201 HG2 ARG 27 HG2 ARG 27 -6.644 -14.652 -3.079 202 HG3 ARG 27 HG3 ARG 27 -7.137 -16.246 -3.648 203 HD2 ARG 27 HD2 ARG 27 -6.684 -13.775 -5.292 204 HD3 ARG 27 HD3 ARG 27 -5.583 -15.153 -5.181 205 HE ARG 27 HE ARG 27 -7.428 -16.533 -6.166 206 HH11 ARG 27 HH11 ARG 27 -7.670 -13.007 -6.694 207 HH12 ARG 27 HH12 ARG 27 -8.557 -13.180 -8.166 208 HH21 ARG 27 HH21 ARG 27 -8.598 -16.721 -8.133 209 HH22 ARG 27 HH22 ARG 27 -9.236 -15.264 -8.855 210 H ASN 28 H ASN 28 -11.084 -15.917 -0.658 211 HA ASN 28 HA ASN 28 -11.156 -18.624 -1.562 212 HB2 ASN 28 HB2 ASN 28 -8.797 -18.352 -0.367 213 HB3 ASN 28 HB3 ASN 28 -9.732 -18.221 1.114 214 HD21 ASN 28 HD21 ASN 28 -8.021 -20.184 1.175 215 HD22 ASN 28 HD22 ASN 28 -8.684 -21.759 0.755 216 H ALA 29 H ALA 29 -12.602 -19.900 -0.177 217 HA ALA 29 HA ALA 29 -14.572 -18.292 1.270 218 HB1 ALA 29 HB1 ALA 29 -14.241 -21.288 0.816 219 HB2 ALA 29 HB2 ALA 29 -15.603 -20.557 1.695 220 HB3 ALA 29 HB3 ALA 29 -15.337 -20.205 -0.024 221 H ASN 30 H ASN 30 -11.958 -20.608 2.033 222 HA ASN 30 HA ASN 30 -12.319 -20.757 4.829 223 HB2 ASN 30 HB2 ASN 30 -9.900 -21.123 3.019 224 HB3 ASN 30 HB3 ASN 30 -9.715 -21.205 4.750 225 HD21 ASN 30 HD21 ASN 30 -9.776 -23.304 2.303 226 HD22 ASN 30 HD22 ASN 30 -10.748 -24.551 2.995 227 H CYS 31 H CYS 31 -11.182 -18.040 2.993 228 HA CYS 31 HA CYS 31 -9.425 -16.993 5.092 229 HB2 CYS 31 HB2 CYS 31 -8.989 -16.693 2.662 230 HB3 CYS 31 HB3 CYS 31 -10.433 -15.615 2.570 231 H SER 32 H SER 32 -10.310 -16.225 6.866 232 HA SER 32 HA SER 32 -12.703 -14.468 6.759 233 HB2 SER 32 HB2 SER 32 -13.382 -15.774 8.900 234 HB3 SER 32 HB3 SER 32 -13.662 -16.520 7.317 235 HG SER 32 HG SER 32 -12.697 -18.124 8.361 236 H LEU 33 H LEU 33 -11.318 -12.590 7.102 237 HA LEU 33 HA LEU 33 -10.232 -12.448 9.879 238 HB2 LEU 33 HB2 LEU 33 -8.828 -11.867 7.320 239 HB3 LEU 33 HB3 LEU 33 -8.814 -10.535 8.442 240 HG LEU 33 HG LEU 33 -8.032 -12.157 10.264 241 HD11 LEU 33 HD11 LEU 33 -8.465 -14.278 9.146 242 HD12 LEU 33 HD12 LEU 33 -6.735 -14.099 9.441 243 HD13 LEU 33 HD13 LEU 33 -7.387 -13.817 7.802 244 HD21 LEU 33 HD21 LEU 33 -6.172 -11.535 7.951 245 HD22 LEU 33 HD22 LEU 33 -5.691 -11.919 9.609 246 HD23 LEU 33 HD23 LEU 33 -6.593 -10.433 9.280 247 HA PRO 34 HA PRO 34 -12.823 -8.917 10.268 248 HB2 PRO 34 HB2 PRO 34 -11.491 -7.339 12.098 249 HB3 PRO 34 HB3 PRO 34 -12.315 -8.864 12.515 250 HG2 PRO 34 HG2 PRO 34 -9.390 -8.382 12.047 251 HG3 PRO 34 HG3 PRO 34 -10.170 -9.390 13.303 252 HD2 PRO 34 HD2 PRO 34 -9.102 -10.406 10.989 253 HD3 PRO 34 HD3 PRO 34 -10.500 -11.160 11.812 254 H SER 35 H SER 35 -9.453 -7.577 10.349 255 HA SER 35 HA SER 35 -9.970 -5.163 9.099 256 HB2 SER 35 HB2 SER 35 -7.399 -6.785 8.948 257 HB3 SER 35 HB3 SER 35 -7.561 -5.015 8.960 258 HG SER 35 HG SER 35 -7.002 -6.197 11.031 259 H CYS 36 H CYS 36 -9.361 -8.317 7.673 260 HA CYS 36 HA CYS 36 -8.648 -7.741 5.077 261 HB2 CYS 36 HB2 CYS 36 -8.710 -9.939 6.256 262 HB3 CYS 36 HB3 CYS 36 -10.467 -9.995 6.023 263 H GLN 37 H GLN 37 -11.972 -8.338 6.273 264 HA GLN 37 HA GLN 37 -13.375 -7.828 3.874 265 HB2 GLN 37 HB2 GLN 37 -14.191 -7.373 6.786 266 HB3 GLN 37 HB3 GLN 37 -15.324 -7.403 5.433 267 HG2 GLN 37 HG2 GLN 37 -14.874 -9.729 4.982 268 HG3 GLN 37 HG3 GLN 37 -13.510 -9.771 6.092 269 HE21 GLN 37 HE21 GLN 37 -13.875 -10.291 8.210 270 HE22 GLN 37 HE22 GLN 37 -15.470 -10.493 8.926 271 H LYS 38 H LYS 38 -12.219 -5.516 6.302 272 HA LYS 38 HA LYS 38 -13.582 -3.231 5.116 273 HB2 LYS 38 HB2 LYS 38 -11.254 -3.349 7.060 274 HB3 LYS 38 HB3 LYS 38 -12.269 -1.954 6.690 275 HG2 LYS 38 HG2 LYS 38 -13.280 -4.553 7.955 276 HG3 LYS 38 HG3 LYS 38 -12.872 -3.092 8.825 277 HD2 LYS 38 HD2 LYS 38 -14.635 -1.933 7.229 278 HD3 LYS 38 HD3 LYS 38 -15.192 -3.597 6.931 279 HE2 LYS 38 HE2 LYS 38 -15.446 -3.888 9.420 280 HE3 LYS 38 HE3 LYS 38 -14.947 -2.203 9.632 281 HZ1 LYS 38 HZ1 LYS 38 -16.887 -1.507 8.411 282 HZ2 LYS 38 HZ2 LYS 38 -17.313 -2.404 9.694 283 HZ3 LYS 38 HZ3 LYS 38 -17.373 -3.065 8.183 284 H MET 39 H MET 39 -10.270 -4.539 4.987 285 HA MET 39 HA MET 39 -9.028 -2.619 3.396 286 HB2 MET 39 HB2 MET 39 -8.633 -5.598 3.720 287 HB3 MET 39 HB3 MET 39 -7.672 -4.693 2.555 288 HG2 MET 39 HG2 MET 39 -7.759 -3.899 5.468 289 HG3 MET 39 HG3 MET 39 -6.691 -5.153 4.837 290 HE1 MET 39 HE1 MET 39 -6.092 -0.702 4.619 291 HE2 MET 39 HE2 MET 39 -7.720 -1.405 4.588 292 HE3 MET 39 HE3 MET 39 -6.631 -1.734 5.957 293 H LYS 40 H LYS 40 -11.060 -5.341 2.378 294 HA LYS 40 HA LYS 40 -10.554 -5.351 -0.368 295 HB2 LYS 40 HB2 LYS 40 -12.820 -6.105 1.406 296 HB3 LYS 40 HB3 LYS 40 -13.280 -5.795 -0.284 297 HG2 LYS 40 HG2 LYS 40 -12.811 -8.104 -0.226 298 HG3 LYS 40 HG3 LYS 40 -11.393 -7.372 -0.985 299 HD2 LYS 40 HD2 LYS 40 -10.346 -7.361 1.382 300 HD3 LYS 40 HD3 LYS 40 -11.699 -8.389 1.871 301 HE2 LYS 40 HE2 LYS 40 -9.463 -8.973 -0.101 302 HE3 LYS 40 HE3 LYS 40 -9.768 -9.714 1.469 303 HZ1 LYS 40 HZ1 LYS 40 -10.503 -11.241 -0.027 304 HZ2 LYS 40 HZ2 LYS 40 -11.215 -10.161 -1.035 305 HZ3 LYS 40 HZ3 LYS 40 -11.900 -10.530 0.442 306 H ARG 41 H ARG 41 -12.573 -3.023 1.402 307 HA ARG 41 HA ARG 41 -13.651 -1.702 -0.933 308 HB2 ARG 41 HB2 ARG 41 -14.545 -1.273 1.278 309 HB3 ARG 41 HB3 ARG 41 -13.004 -0.602 1.836 310 HG2 ARG 41 HG2 ARG 41 -13.287 1.247 0.155 311 HG3 ARG 41 HG3 ARG 41 -14.896 0.612 -0.235 312 HD2 ARG 41 HD2 ARG 41 -13.938 1.422 2.546 313 HD3 ARG 41 HD3 ARG 41 -14.820 2.510 1.456 314 HE ARG 41 HE ARG 41 -16.380 0.175 1.711 315 HH11 ARG 41 HH11 ARG 41 -15.041 2.594 3.953 316 HH12 ARG 41 HH12 ARG 41 -16.143 2.178 5.207 317 HH21 ARG 41 HH21 ARG 41 -18.112 0.021 3.132 318 HH22 ARG 41 HH22 ARG 41 -18.125 0.899 4.631 319 H VAL 42 H VAL 42 -10.593 -1.198 0.895 320 HA VAL 42 HA VAL 42 -9.808 1.091 -0.620 321 HB VAL 42 HB VAL 42 -7.814 -0.792 0.661 322 HG11 VAL 42 HG11 VAL 42 -8.033 2.255 0.427 323 HG12 VAL 42 HG12 VAL 42 -6.665 1.349 1.121 324 HG13 VAL 42 HG13 VAL 42 -7.039 1.218 -0.604 325 HG21 VAL 42 HG21 VAL 42 -9.499 -0.618 2.409 326 HG22 VAL 42 HG22 VAL 42 -8.162 0.456 2.816 327 HG23 VAL 42 HG23 VAL 42 -9.662 1.127 2.142 328 H VAL 43 H VAL 43 -9.244 -2.444 -1.044 329 HA VAL 43 HA VAL 43 -7.562 -2.201 -3.273 330 HB VAL 43 HB VAL 43 -9.511 -4.484 -2.623 331 HG11 VAL 43 HG11 VAL 43 -7.104 -4.317 -4.435 332 HG12 VAL 43 HG12 VAL 43 -7.835 -5.843 -3.897 333 HG13 VAL 43 HG13 VAL 43 -8.759 -4.716 -4.907 334 HG21 VAL 43 HG21 VAL 43 -6.637 -3.937 -1.836 335 HG22 VAL 43 HG22 VAL 43 -8.016 -4.067 -0.743 336 HG23 VAL 43 HG23 VAL 43 -7.464 -5.497 -1.606 337 H GLN 44 H GLN 44 -11.141 -2.046 -3.137 338 HA GLN 44 HA GLN 44 -11.596 -2.144 -5.943 339 HB2 GLN 44 HB2 GLN 44 -13.174 -0.677 -3.792 340 HB3 GLN 44 HB3 GLN 44 -13.722 -0.923 -5.438 341 HG2 GLN 44 HG2 GLN 44 -13.795 -3.324 -5.170 342 HG3 GLN 44 HG3 GLN 44 -13.074 -3.233 -3.565 343 HE21 GLN 44 HE21 GLN 44 -15.848 -4.202 -4.600 344 HE22 GLN 44 HE22 GLN 44 -17.004 -3.232 -3.691 345 H HIS 45 H HIS 45 -10.300 0.479 -3.922 346 HA HIS 45 HA HIS 45 -10.944 2.617 -5.700 347 HB2 HIS 45 HB2 HIS 45 -10.197 3.020 -3.382 348 HB3 HIS 45 HB3 HIS 45 -8.603 2.352 -3.765 349 HD1 HIS 45 HD1 HIS 45 -10.727 5.449 -4.688 350 HD2 HIS 45 HD2 HIS 45 -6.896 3.743 -5.176 351 HE1 HIS 45 HE1 HIS 45 -9.248 7.242 -5.718 352 H THR 46 H THR 46 -7.885 0.636 -5.419 353 HA THR 46 HA THR 46 -6.739 1.981 -7.699 354 HB THR 46 HB THR 46 -5.338 1.045 -6.020 355 HG1 THR 46 HG1 THR 46 -4.926 -0.443 -8.399 356 HG21 THR 46 HG21 THR 46 -4.961 -1.377 -5.792 357 HG22 THR 46 HG22 THR 46 -6.377 -1.709 -6.791 358 HG23 THR 46 HG23 THR 46 -6.543 -0.874 -5.221 359 H LYS 47 H LYS 47 -8.752 -0.923 -7.249 360 HA LYS 47 HA LYS 47 -8.498 -2.131 -9.720 361 HB2 LYS 47 HB2 LYS 47 -9.847 -2.875 -7.657 362 HB3 LYS 47 HB3 LYS 47 -11.163 -1.870 -8.296 363 HG2 LYS 47 HG2 LYS 47 -10.979 -3.235 -10.460 364 HG3 LYS 47 HG3 LYS 47 -9.820 -4.267 -9.615 365 HD2 LYS 47 HD2 LYS 47 -11.892 -5.397 -9.415 366 HD3 LYS 47 HD3 LYS 47 -11.611 -4.664 -7.839 367 HE2 LYS 47 HE2 LYS 47 -13.932 -4.357 -8.412 368 HE3 LYS 47 HE3 LYS 47 -13.150 -2.776 -8.492 369 HZ1 LYS 47 HZ1 LYS 47 -13.685 -4.487 -10.842 370 HZ2 LYS 47 HZ2 LYS 47 -13.122 -2.935 -10.876 371 HZ3 LYS 47 HZ3 LYS 47 -14.639 -3.245 -10.362 372 H GLY 48 H GLY 48 -10.488 0.714 -8.920 373 HA2 GLY 48 HA2 GLY 48 -11.279 0.966 -11.790 374 HA3 GLY 48 HA3 GLY 48 -12.124 1.652 -10.401 375 H CYS 49 H CYS 49 -8.673 1.999 -10.129 376 HA CYS 49 HA CYS 49 -9.024 4.855 -10.336 377 HB2 CYS 49 HB2 CYS 49 -7.600 3.928 -8.626 378 HB3 CYS 49 HB3 CYS 49 -6.475 3.303 -9.826 379 H LYS 50 H LYS 50 -9.719 5.183 -12.400 380 HA LYS 50 HA LYS 50 -8.042 4.620 -14.728 381 HB2 LYS 50 HB2 LYS 50 -10.420 4.771 -15.041 382 HB3 LYS 50 HB3 LYS 50 -10.502 6.369 -14.295 383 HG2 LYS 50 HG2 LYS 50 -10.778 6.485 -16.718 384 HG3 LYS 50 HG3 LYS 50 -9.354 7.386 -16.181 385 HD2 LYS 50 HD2 LYS 50 -7.935 5.434 -16.847 386 HD3 LYS 50 HD3 LYS 50 -9.383 4.624 -17.484 387 HE2 LYS 50 HE2 LYS 50 -9.652 6.303 -19.180 388 HE3 LYS 50 HE3 LYS 50 -8.509 7.396 -18.372 389 HZ1 LYS 50 HZ1 LYS 50 -6.744 5.905 -18.845 390 HZ2 LYS 50 HZ2 LYS 50 -7.513 6.264 -20.253 391 HZ3 LYS 50 HZ3 LYS 50 -7.758 4.798 -19.559 392 H ARG 51 H ARG 51 -8.502 7.267 -12.427 393 HA ARG 51 HA ARG 51 -7.127 9.335 -13.528 394 HB2 ARG 51 HB2 ARG 51 -8.309 9.239 -11.260 395 HB3 ARG 51 HB3 ARG 51 -6.810 8.549 -10.624 396 HG2 ARG 51 HG2 ARG 51 -5.603 10.637 -11.436 397 HG3 ARG 51 HG3 ARG 51 -7.180 11.311 -11.874 398 HD2 ARG 51 HD2 ARG 51 -7.868 11.231 -9.515 399 HD3 ARG 51 HD3 ARG 51 -6.453 10.308 -9.107 400 HE ARG 51 HE ARG 51 -5.104 12.156 -9.129 401 HH11 ARG 51 HH11 ARG 51 -8.454 13.084 -9.981 402 HH12 ARG 51 HH12 ARG 51 -8.119 14.780 -9.906 403 HH21 ARG 51 HH21 ARG 51 -4.660 14.392 -9.186 404 HH22 ARG 51 HH22 ARG 51 -5.945 15.539 -9.340 405 H LYS 52 H LYS 52 -5.618 6.274 -12.494 406 HA LYS 52 HA LYS 52 -3.001 7.126 -12.068 407 HB2 LYS 52 HB2 LYS 52 -3.954 4.814 -11.835 408 HB3 LYS 52 HB3 LYS 52 -3.963 4.656 -13.595 409 HG2 LYS 52 HG2 LYS 52 -1.548 4.857 -13.697 410 HG3 LYS 52 HG3 LYS 52 -1.455 5.294 -11.986 411 HD2 LYS 52 HD2 LYS 52 -2.410 3.025 -11.401 412 HD3 LYS 52 HD3 LYS 52 -2.429 2.661 -13.139 413 HE2 LYS 52 HE2 LYS 52 -0.387 1.706 -12.484 414 HE3 LYS 52 HE3 LYS 52 0.101 3.289 -13.106 415 HZ1 LYS 52 HZ1 LYS 52 -0.029 2.326 -10.353 416 HZ2 LYS 52 HZ2 LYS 52 -0.182 3.951 -10.599 417 HZ3 LYS 52 HZ3 LYS 52 1.175 3.162 -11.087 418 H THR 53 H THR 53 -4.614 6.394 -15.214 419 HA THR 53 HA THR 53 -2.391 7.061 -16.810 420 HB THR 53 HB THR 53 -4.025 7.133 -18.666 421 HG1 THR 53 HG1 THR 53 -5.921 6.961 -16.552 422 HG21 THR 53 HG21 THR 53 -4.448 4.778 -16.769 423 HG22 THR 53 HG22 THR 53 -3.044 5.001 -17.837 424 HG23 THR 53 HG23 THR 53 -4.655 4.793 -18.531 425 H ASN 54 H ASN 54 -4.359 9.265 -15.061 426 HA ASN 54 HA ASN 54 -3.662 11.584 -16.793 427 HB2 ASN 54 HB2 ASN 54 -6.048 11.074 -15.993 428 HB3 ASN 54 HB3 ASN 54 -5.509 11.517 -14.375 429 HD21 ASN 54 HD21 ASN 54 -7.208 12.705 -16.875 430 HD22 ASN 54 HD22 ASN 54 -6.857 14.420 -16.692 431 H GLY 55 H GLY 55 -2.992 9.992 -13.750 432 HA2 GLY 55 HA2 GLY 55 -0.575 11.230 -13.136 433 HA3 GLY 55 HA3 GLY 55 -1.843 12.119 -12.263 434 H GLY 56 H GLY 56 -3.456 10.771 -10.958 435 HA2 GLY 56 HA2 GLY 56 -3.736 8.316 -10.314 436 HA3 GLY 56 HA3 GLY 56 -2.152 8.590 -9.544 437 H CYS 57 H CYS 57 -4.639 8.037 -8.319 438 HA CYS 57 HA CYS 57 -5.773 10.426 -7.035 439 HB2 CYS 57 HB2 CYS 57 -5.934 7.486 -6.255 440 HB3 CYS 57 HB3 CYS 57 -6.992 8.735 -5.678 441 HA PRO 58 HA PRO 58 -2.947 10.667 -3.625 442 HB2 PRO 58 HB2 PRO 58 -4.531 10.674 -1.323 443 HB3 PRO 58 HB3 PRO 58 -4.260 12.087 -2.386 444 HG2 PRO 58 HG2 PRO 58 -6.524 10.092 -2.458 445 HG3 PRO 58 HG3 PRO 58 -6.645 11.891 -2.488 446 HD2 PRO 58 HD2 PRO 58 -6.825 10.546 -4.781 447 HD3 PRO 58 HD3 PRO 58 -5.742 11.958 -4.725 448 H ILE 59 H ILE 59 -5.561 8.234 -2.910 449 HA ILE 59 HA ILE 59 -4.081 6.652 -1.201 450 HB ILE 59 HB ILE 59 -6.314 5.879 -3.111 451 HG12 ILE 59 HG12 ILE 59 -7.531 5.486 -0.909 452 HG13 ILE 59 HG13 ILE 59 -6.166 6.247 -0.073 453 HG21 ILE 59 HG21 ILE 59 -5.027 3.809 -2.770 454 HG22 ILE 59 HG22 ILE 59 -5.016 4.105 -1.013 455 HG23 ILE 59 HG23 ILE 59 -6.529 3.729 -1.866 456 HD11 ILE 59 HD11 ILE 59 -8.220 7.648 -0.562 457 HD12 ILE 59 HD12 ILE 59 -6.675 8.348 -1.068 458 HD13 ILE 59 HD13 ILE 59 -7.758 7.583 -2.280 459 H CYS 60 H CYS 60 -4.444 6.117 -4.780 460 HA CYS 60 HA CYS 60 -2.684 4.010 -5.041 461 HB2 CYS 60 HB2 CYS 60 -2.855 6.291 -7.032 462 HB3 CYS 60 HB3 CYS 60 -2.586 4.558 -7.329 463 H LYS 61 H LYS 61 -1.935 7.472 -5.368 464 HA LYS 61 HA LYS 61 0.827 7.285 -6.018 465 HB2 LYS 61 HB2 LYS 61 -0.841 9.433 -4.655 466 HB3 LYS 61 HB3 LYS 61 0.862 9.659 -5.002 467 HG2 LYS 61 HG2 LYS 61 0.467 9.295 -7.431 468 HG3 LYS 61 HG3 LYS 61 -1.238 9.035 -7.112 469 HD2 LYS 61 HD2 LYS 61 -1.045 11.309 -7.799 470 HD3 LYS 61 HD3 LYS 61 -1.361 11.294 -6.058 471 HE2 LYS 61 HE2 LYS 61 0.311 13.004 -6.672 472 HE3 LYS 61 HE3 LYS 61 0.995 11.794 -5.591 473 HZ1 LYS 61 HZ1 LYS 61 2.073 10.774 -7.489 474 HZ2 LYS 61 HZ2 LYS 61 2.500 12.341 -7.406 475 HZ3 LYS 61 HZ3 LYS 61 1.409 11.877 -8.530 476 H GLN 62 H GLN 62 -0.823 7.288 -2.926 477 HA GLN 62 HA GLN 62 1.592 7.427 -1.299 478 HB2 GLN 62 HB2 GLN 62 -1.353 6.883 -0.744 479 HB3 GLN 62 HB3 GLN 62 -0.149 6.790 0.522 480 HG2 GLN 62 HG2 GLN 62 -0.541 9.270 -1.224 481 HG3 GLN 62 HG3 GLN 62 -1.351 9.014 0.328 482 HE21 GLN 62 HE21 GLN 62 0.499 11.161 -0.361 483 HE22 GLN 62 HE22 GLN 62 1.754 11.025 0.843 484 H LEU 63 H LEU 63 -0.729 4.742 -2.066 485 HA LEU 63 HA LEU 63 0.387 2.704 -0.585 486 HB2 LEU 63 HB2 LEU 63 -1.715 2.562 -1.726 487 HB3 LEU 63 HB3 LEU 63 -0.955 2.581 -3.315 488 HG LEU 63 HG LEU 63 -0.156 0.392 -1.377 489 HD11 LEU 63 HD11 LEU 63 -2.817 0.513 -2.855 490 HD12 LEU 63 HD12 LEU 63 -2.504 0.260 -1.113 491 HD13 LEU 63 HD13 LEU 63 -2.082 -0.992 -2.268 492 HD21 LEU 63 HD21 LEU 63 0.892 0.485 -3.670 493 HD22 LEU 63 HD22 LEU 63 -0.738 0.372 -4.373 494 HD23 LEU 63 HD23 LEU 63 -0.055 -0.972 -3.425 495 H ILE 64 H ILE 64 1.562 3.809 -3.740 496 HA ILE 64 HA ILE 64 3.276 1.741 -4.428 497 HB ILE 64 HB ILE 64 3.460 4.739 -4.842 498 HG12 ILE 64 HG12 ILE 64 2.676 2.508 -6.782 499 HG13 ILE 64 HG13 ILE 64 1.508 3.320 -5.759 500 HG21 ILE 64 HG21 ILE 64 4.990 4.147 -6.801 501 HG22 ILE 64 HG22 ILE 64 5.694 4.019 -5.198 502 HG23 ILE 64 HG23 ILE 64 5.188 2.548 -6.067 503 HD11 ILE 64 HD11 ILE 64 3.173 4.580 -7.935 504 HD12 ILE 64 HD12 ILE 64 1.410 4.413 -7.848 505 HD13 ILE 64 HD13 ILE 64 2.246 5.527 -6.746 506 H ALA 65 H ALA 65 3.800 4.182 -1.915 507 HA ALA 65 HA ALA 65 6.603 3.869 -1.543 508 HB1 ALA 65 HB1 ALA 65 6.184 4.837 0.666 509 HB2 ALA 65 HB2 ALA 65 5.090 5.643 -0.490 510 HB3 ALA 65 HB3 ALA 65 4.470 4.399 0.599 511 H LEU 66 H LEU 66 3.800 2.246 -0.123 512 HA LEU 66 HA LEU 66 5.251 0.430 1.557 513 HB2 LEU 66 HB2 LEU 66 2.378 0.988 0.905 514 HB3 LEU 66 HB3 LEU 66 2.776 -0.618 1.522 515 HG LEU 66 HG LEU 66 3.901 0.208 3.398 516 HD11 LEU 66 HD11 LEU 66 3.887 2.510 4.136 517 HD12 LEU 66 HD12 LEU 66 3.092 3.029 2.618 518 HD13 LEU 66 HD13 LEU 66 4.751 2.391 2.640 519 HD21 LEU 66 HD21 LEU 66 1.114 1.314 3.014 520 HD22 LEU 66 HD22 LEU 66 1.871 0.981 4.609 521 HD23 LEU 66 HD23 LEU 66 1.518 -0.335 3.490 522 H ALA 67 H ALA 67 3.840 0.192 -1.683 523 HA ALA 67 HA ALA 67 4.055 -2.616 -1.979 524 HB1 ALA 67 HB1 ALA 67 4.162 -2.186 -4.398 525 HB2 ALA 67 HB2 ALA 67 2.913 -1.190 -3.620 526 HB3 ALA 67 HB3 ALA 67 4.462 -0.460 -4.106 527 H ALA 68 H ALA 68 6.428 -0.047 -2.793 528 HA ALA 68 HA ALA 68 8.569 -1.846 -3.420 529 HB1 ALA 68 HB1 ALA 68 9.961 0.154 -3.372 530 HB2 ALA 68 HB2 ALA 68 8.448 0.493 -4.217 531 HB3 ALA 68 HB3 ALA 68 8.679 1.077 -2.545 532 H TYR 69 H TYR 69 7.579 -0.330 -0.348 533 HA TYR 69 HA TYR 69 9.982 -0.958 1.111 534 HB2 TYR 69 HB2 TYR 69 8.502 0.657 2.051 535 HB3 TYR 69 HB3 TYR 69 7.112 -0.405 1.872 536 HD1 TYR 69 HD1 TYR 69 10.068 0.340 3.973 537 HD2 TYR 69 HD2 TYR 69 6.741 -2.313 3.293 538 HE1 TYR 69 HE1 TYR 69 10.459 -0.698 6.161 539 HE2 TYR 69 HE2 TYR 69 7.092 -3.366 5.490 540 HH TYR 69 HH TYR 69 10.037 -2.648 7.386 541 H HIS 70 H HIS 70 6.975 -2.788 0.354 542 HA HIS 70 HA HIS 70 7.770 -5.050 2.010 543 HB2 HIS 70 HB2 HIS 70 5.545 -4.895 1.921 544 HB3 HIS 70 HB3 HIS 70 5.488 -4.256 0.276 545 HD1 HIS 70 HD1 HIS 70 4.834 -7.463 2.088 546 HD2 HIS 70 HD2 HIS 70 5.746 -6.070 -1.790 547 HE1 HIS 70 HE1 HIS 70 4.150 -9.279 0.477 548 H ALA 71 H ALA 71 7.977 -4.223 -1.497 549 HA ALA 71 HA ALA 71 8.768 -6.667 -2.474 550 HB1 ALA 71 HB1 ALA 71 8.305 -4.631 -3.840 551 HB2 ALA 71 HB2 ALA 71 9.886 -3.965 -3.345 552 HB3 ALA 71 HB3 ALA 71 9.807 -5.447 -4.313 553 H LYS 72 H LYS 72 10.914 -4.444 -0.625 554 HA LYS 72 HA LYS 72 13.282 -5.820 -1.459 555 HB2 LYS 72 HB2 LYS 72 14.475 -4.794 0.314 556 HB3 LYS 72 HB3 LYS 72 13.359 -3.595 -0.347 557 HG2 LYS 72 HG2 LYS 72 11.875 -4.005 1.613 558 HG3 LYS 72 HG3 LYS 72 12.994 -5.231 2.200 559 HD2 LYS 72 HD2 LYS 72 13.354 -3.284 3.474 560 HD3 LYS 72 HD3 LYS 72 14.764 -3.521 2.431 561 HE2 LYS 72 HE2 LYS 72 13.796 -1.807 0.865 562 HE3 LYS 72 HE3 LYS 72 12.458 -1.559 2.004 563 HZ1 LYS 72 HZ1 LYS 72 14.057 -0.802 3.632 564 HZ2 LYS 72 HZ2 LYS 72 14.223 0.059 2.234 565 HZ3 LYS 72 HZ3 LYS 72 15.316 -1.103 2.570 566 H HIS 73 H HIS 73 10.804 -6.718 0.843 567 HA HIS 73 HA HIS 73 12.432 -8.974 1.898 568 HB2 HIS 73 HB2 HIS 73 9.901 -7.714 2.993 569 HB3 HIS 73 HB3 HIS 73 10.839 -8.989 3.758 570 HD1 HIS 73 HD1 HIS 73 10.205 -5.601 4.404 571 HD2 HIS 73 HD2 HIS 73 13.735 -7.890 3.984 572 HE1 HIS 73 HE1 HIS 73 12.046 -4.286 5.527 573 H CYS 74 H CYS 74 10.092 -8.317 -0.455 574 HA CYS 74 HA CYS 74 8.874 -11.047 -0.285 575 HB2 CYS 74 HB2 CYS 74 7.328 -8.906 0.194 576 HB3 CYS 74 HB3 CYS 74 7.509 -8.682 -1.543 577 H GLN 75 H GLN 75 10.247 -11.942 -1.569 578 HA GLN 75 HA GLN 75 10.500 -11.037 -4.380 579 HB2 GLN 75 HB2 GLN 75 12.961 -11.888 -4.152 580 HB3 GLN 75 HB3 GLN 75 12.596 -10.235 -3.666 581 HG2 GLN 75 HG2 GLN 75 12.767 -10.670 -1.383 582 HG3 GLN 75 HG3 GLN 75 12.539 -12.410 -1.565 583 HE21 GLN 75 HE21 GLN 75 14.744 -10.580 -0.401 584 HE22 GLN 75 HE22 GLN 75 16.176 -11.484 -0.839 585 H GLU 76 H GLU 76 8.846 -12.595 -4.615 586 HA GLU 76 HA GLU 76 9.807 -15.394 -4.341 587 HB2 GLU 76 HB2 GLU 76 7.638 -16.007 -3.601 588 HB3 GLU 76 HB3 GLU 76 8.330 -14.891 -2.473 589 HG2 GLU 76 HG2 GLU 76 6.790 -13.238 -2.924 590 HG3 GLU 76 HG3 GLU 76 6.573 -13.718 -4.590 591 H ASN 77 H ASN 77 7.902 -16.762 -5.606 592 HA ASN 77 HA ASN 77 8.332 -15.967 -8.355 593 HB2 ASN 77 HB2 ASN 77 6.676 -18.235 -7.165 594 HB3 ASN 77 HB3 ASN 77 6.956 -17.970 -8.884 595 HD21 ASN 77 HD21 ASN 77 7.836 -20.349 -8.572 596 HD22 ASN 77 HD22 ASN 77 9.517 -20.427 -8.093 597 H LYS 78 H LYS 78 5.453 -16.035 -6.131 598 HA LYS 78 HA LYS 78 4.036 -14.318 -8.097 599 HB2 LYS 78 HB2 LYS 78 2.861 -16.810 -6.861 600 HB3 LYS 78 HB3 LYS 78 1.968 -15.557 -7.754 601 HG2 LYS 78 HG2 LYS 78 3.606 -15.916 -9.672 602 HG3 LYS 78 HG3 LYS 78 4.178 -17.364 -8.813 603 HD2 LYS 78 HD2 LYS 78 1.773 -18.130 -8.800 604 HD3 LYS 78 HD3 LYS 78 1.415 -16.784 -9.903 605 HE2 LYS 78 HE2 LYS 78 3.471 -18.998 -10.347 606 HE3 LYS 78 HE3 LYS 78 1.859 -19.003 -11.062 607 HZ1 LYS 78 HZ1 LYS 78 3.645 -18.198 -12.523 608 HZ2 LYS 78 HZ2 LYS 78 3.872 -16.888 -11.577 609 HZ3 LYS 78 HZ3 LYS 78 2.419 -17.115 -12.346 610 H CYS 79 H CYS 79 5.120 -12.923 -6.457 611 HA CYS 79 HA CYS 79 4.578 -12.469 -3.933 612 HB2 CYS 79 HB2 CYS 79 4.971 -10.690 -6.292 613 HB3 CYS 79 HB3 CYS 79 4.214 -9.906 -4.964 614 HA PRO 80 HA PRO 80 0.202 -12.157 -3.429 615 HB2 PRO 80 HB2 PRO 80 0.039 -10.975 -0.939 616 HB3 PRO 80 HB3 PRO 80 0.414 -12.696 -1.246 617 HG2 PRO 80 HG2 PRO 80 2.363 -10.430 -0.757 618 HG3 PRO 80 HG3 PRO 80 2.353 -12.067 -0.022 619 HD2 PRO 80 HD2 PRO 80 3.950 -11.484 -2.122 620 HD3 PRO 80 HD3 PRO 80 3.124 -13.064 -2.027 621 H VAL 81 H VAL 81 2.077 -9.074 -2.722 622 HA VAL 81 HA VAL 81 -0.265 -7.497 -3.141 623 HB VAL 81 HB VAL 81 2.667 -6.834 -2.781 624 HG11 VAL 81 HG11 VAL 81 1.980 -4.516 -2.353 625 HG12 VAL 81 HG12 VAL 81 1.610 -4.971 -4.018 626 HG13 VAL 81 HG13 VAL 81 0.311 -4.919 -2.807 627 HG21 VAL 81 HG21 VAL 81 1.869 -6.102 -0.546 628 HG22 VAL 81 HG22 VAL 81 0.257 -6.737 -0.953 629 HG23 VAL 81 HG23 VAL 81 1.650 -7.829 -0.836 630 HA PRO 82 HA PRO 82 0.131 -7.843 -7.595 631 HB2 PRO 82 HB2 PRO 82 -1.751 -5.942 -8.357 632 HB3 PRO 82 HB3 PRO 82 -2.121 -7.610 -7.829 633 HG2 PRO 82 HG2 PRO 82 -2.126 -5.084 -6.156 634 HG3 PRO 82 HG3 PRO 82 -3.372 -6.383 -6.233 635 HD2 PRO 82 HD2 PRO 82 -1.555 -6.260 -4.258 636 HD3 PRO 82 HD3 PRO 82 -2.032 -7.836 -4.964 637 H PHE 83 H PHE 83 0.593 -4.759 -5.841 638 HA PHE 83 HA PHE 83 1.764 -3.442 -8.168 639 HB2 PHE 83 HB2 PHE 83 1.483 -2.730 -5.242 640 HB3 PHE 83 HB3 PHE 83 2.686 -1.916 -6.241 641 HD1 PHE 83 HD1 PHE 83 -0.705 -2.917 -7.524 642 HD2 PHE 83 HD2 PHE 83 1.795 0.311 -6.092 643 HE1 PHE 83 HE1 PHE 83 -2.401 -1.287 -8.196 644 HE2 PHE 83 HE2 PHE 83 0.052 1.935 -6.780 645 HZ PHE 83 HZ PHE 83 -2.069 1.141 -7.801 646 H CYS 84 H CYS 84 3.084 -5.130 -5.203 647 HA CYS 84 HA CYS 84 5.764 -4.583 -5.927 648 HB2 CYS 84 HB2 CYS 84 6.439 -5.888 -4.191 649 HB3 CYS 84 HB3 CYS 84 4.841 -5.264 -3.663 650 H LEU 85 H LEU 85 3.576 -7.125 -6.845 651 HA LEU 85 HA LEU 85 5.335 -8.925 -8.068 652 HB2 LEU 85 HB2 LEU 85 2.864 -9.197 -7.761 653 HB3 LEU 85 HB3 LEU 85 2.597 -8.007 -9.032 654 HG LEU 85 HG LEU 85 3.839 -9.561 -10.636 655 HD11 LEU 85 HD11 LEU 85 5.028 -10.985 -9.005 656 HD12 LEU 85 HD12 LEU 85 3.937 -11.970 -9.981 657 HD13 LEU 85 HD13 LEU 85 3.484 -11.523 -8.322 658 HD21 LEU 85 HD21 LEU 85 1.890 -11.019 -10.940 659 HD22 LEU 85 HD22 LEU 85 1.421 -9.334 -10.653 660 HD23 LEU 85 HD23 LEU 85 1.271 -10.525 -9.348 661 H ASN 86 H ASN 86 4.237 -5.749 -9.164 662 HA ASN 86 HA ASN 86 5.414 -6.051 -11.867 663 HB2 ASN 86 HB2 ASN 86 4.304 -3.580 -10.473 664 HB3 ASN 86 HB3 ASN 86 4.956 -3.599 -12.105 665 HD21 ASN 86 HD21 ASN 86 3.850 -5.627 -13.517 666 HD22 ASN 86 HD22 ASN 86 2.099 -5.627 -13.311 667 H ILE 87 H ILE 87 6.327 -4.817 -8.680 668 HA ILE 87 HA ILE 87 8.608 -3.247 -9.531 669 HB ILE 87 HB ILE 87 8.027 -4.545 -6.822 670 HG12 ILE 87 HG12 ILE 87 7.644 -1.691 -7.821 671 HG13 ILE 87 HG13 ILE 87 6.348 -2.855 -7.561 672 HG21 ILE 87 HG21 ILE 87 9.755 -3.055 -5.911 673 HG22 ILE 87 HG22 ILE 87 10.443 -4.127 -7.098 674 HG23 ILE 87 HG23 ILE 87 10.114 -2.443 -7.547 675 HD11 ILE 87 HD11 ILE 87 8.077 -1.527 -5.501 676 HD12 ILE 87 HD12 ILE 87 6.325 -1.395 -5.725 677 HD13 ILE 87 HD13 ILE 87 7.021 -2.919 -5.127 678 H LYS 88 H LYS 88 8.205 -6.633 -8.282 679 HA LYS 88 HA LYS 88 10.811 -7.461 -8.587 680 HB2 LYS 88 HB2 LYS 88 9.132 -8.892 -7.593 681 HB3 LYS 88 HB3 LYS 88 8.238 -9.021 -9.121 682 HG2 LYS 88 HG2 LYS 88 10.124 -10.224 -10.174 683 HG3 LYS 88 HG3 LYS 88 11.100 -9.997 -8.719 684 HD2 LYS 88 HD2 LYS 88 9.260 -11.324 -7.486 685 HD3 LYS 88 HD3 LYS 88 8.578 -11.646 -9.099 686 HE2 LYS 88 HE2 LYS 88 9.949 -13.530 -8.703 687 HE3 LYS 88 HE3 LYS 88 10.945 -12.484 -9.720 688 HZ1 LYS 88 HZ1 LYS 88 12.398 -12.986 -8.030 689 HZ2 LYS 88 HZ2 LYS 88 11.249 -13.178 -6.912 690 HZ3 LYS 88 HZ3 LYS 88 11.738 -11.655 -7.346 691 H GLN 89 H GLN 89 8.303 -7.729 -11.150 692 HA GLN 89 HA GLN 89 10.136 -8.623 -13.140 693 HB2 GLN 89 HB2 GLN 89 7.353 -7.407 -13.212 694 HB3 GLN 89 HB3 GLN 89 8.211 -7.664 -14.718 695 HG2 GLN 89 HG2 GLN 89 7.530 -9.815 -12.681 696 HG3 GLN 89 HG3 GLN 89 6.764 -9.569 -14.253 697 HE21 GLN 89 HE21 GLN 89 9.219 -9.071 -15.826 698 HE22 GLN 89 HE22 GLN 89 10.252 -10.439 -15.678 699 H LYS 90 H LYS 90 10.061 -5.517 -11.788 700 HA LYS 90 HA LYS 90 11.439 -4.364 -14.151 701 HB2 LYS 90 HB2 LYS 90 9.542 -3.000 -12.206 702 HB3 LYS 90 HB3 LYS 90 10.550 -2.175 -13.400 703 HG2 LYS 90 HG2 LYS 90 9.419 -3.314 -15.253 704 HG3 LYS 90 HG3 LYS 90 8.438 -4.259 -14.125 705 HD2 LYS 90 HD2 LYS 90 7.133 -2.413 -14.998 706 HD3 LYS 90 HD3 LYS 90 7.398 -2.205 -13.254 707 HE2 LYS 90 HE2 LYS 90 9.251 -0.623 -13.716 708 HE3 LYS 90 HE3 LYS 90 9.060 -0.881 -15.456 709 HZ1 LYS 90 HZ1 LYS 90 7.041 0.299 -13.668 710 HZ2 LYS 90 HZ2 LYS 90 6.887 0.095 -15.308 711 HZ3 LYS 90 HZ3 LYS 90 8.017 1.123 -14.727 712 H GLY 91 H GLY 91 12.198 -5.748 -11.355 713 HA2 GLY 91 HA2 GLY 91 13.650 -3.764 -9.886 714 HA3 GLY 91 HA3 GLY 91 13.827 -5.523 -9.766 715 H THR 92 H THR 92 14.645 -2.717 -11.594 716 HA THR 92 HA THR 92 17.139 -3.911 -12.730 717 HB THR 92 HB THR 92 16.589 -2.411 -14.720 718 HG1 THR 92 HG1 THR 92 14.024 -2.362 -13.459 719 HG21 THR 92 HG21 THR 92 16.099 -4.851 -14.750 720 HG22 THR 92 HG22 THR 92 14.915 -3.909 -15.679 721 HG23 THR 92 HG23 THR 92 14.490 -4.533 -14.075 722 H ILE 93 H ILE 93 15.682 -1.382 -10.890 723 HA ILE 93 HA ILE 93 18.062 0.383 -11.222 724 HB ILE 93 HB ILE 93 15.304 1.053 -10.133 725 HG12 ILE 93 HG12 ILE 93 16.383 1.858 -12.870 726 HG13 ILE 93 HG13 ILE 93 15.267 0.515 -12.626 727 HG21 ILE 93 HG21 ILE 93 16.079 3.419 -10.362 728 HG22 ILE 93 HG22 ILE 93 17.099 2.504 -9.267 729 HG23 ILE 93 HG23 ILE 93 17.654 2.835 -10.923 730 HD11 ILE 93 HD11 ILE 93 13.960 2.351 -13.252 731 HD12 ILE 93 HD12 ILE 93 13.638 2.084 -11.532 732 HD13 ILE 93 HD13 ILE 93 14.683 3.432 -12.062 733 H GLU 94 H GLU 94 15.918 -1.304 -8.917 734 HA GLU 94 HA GLU 94 15.913 -1.369 -6.647 735 HB2 GLU 94 HB2 GLU 94 18.590 -2.560 -7.372 736 HB3 GLU 94 HB3 GLU 94 17.832 -2.701 -5.779 737 HG2 GLU 94 HG2 GLU 94 16.744 -3.749 -8.413 738 HG3 GLU 94 HG3 GLU 94 17.337 -4.695 -7.056 739 H GLY 95 H GLY 95 15.855 1.021 -6.780 740 HA2 GLY 95 HA2 GLY 95 17.431 2.165 -4.704 741 HA3 GLY 95 HA3 GLY 95 17.997 2.771 -6.274 742 H ARG 96 H ARG 96 16.410 3.789 -7.693 743 HA ARG 96 HA ARG 96 14.836 5.715 -6.647 744 HB2 ARG 96 HB2 ARG 96 15.375 5.510 -9.084 745 HB3 ARG 96 HB3 ARG 96 14.121 4.274 -9.255 746 HG2 ARG 96 HG2 ARG 96 12.374 5.837 -8.665 747 HG3 ARG 96 HG3 ARG 96 13.552 7.015 -8.096 748 HD2 ARG 96 HD2 ARG 96 14.335 7.139 -10.553 749 HD3 ARG 96 HD3 ARG 96 12.805 6.335 -10.947 750 HE ARG 96 HE ARG 96 13.243 8.957 -9.591 751 HH11 ARG 96 HH11 ARG 96 10.823 7.233 -11.425 752 HH12 ARG 96 HH12 ARG 96 9.474 7.798 -10.452 753 HH21 ARG 96 HH21 ARG 96 11.576 9.889 -8.533 754 HH22 ARG 96 HH22 ARG 96 9.906 9.519 -8.891 755 H GLY 97 H GLY 97 13.519 2.466 -7.399 756 HA2 GLY 97 HA2 GLY 97 10.787 3.210 -6.784 757 HA3 GLY 97 HA3 GLY 97 11.465 1.578 -6.971 758 H ASN 98 H ASN 98 13.407 1.568 -5.073 759 HA ASN 98 HA ASN 98 11.996 0.719 -2.783 760 HB2 ASN 98 HB2 ASN 98 14.968 1.259 -3.084 761 HB3 ASN 98 HB3 ASN 98 14.200 0.177 -1.937 762 HD21 ASN 98 HD21 ASN 98 13.850 -2.072 -2.658 763 HD22 ASN 98 HD22 ASN 98 14.330 -2.527 -4.295 764 H GLU 99 H GLU 99 14.156 3.508 -3.323 765 HA GLU 99 HA GLU 99 13.815 4.757 -0.787 766 HB2 GLU 99 HB2 GLU 99 14.952 5.656 -3.478 767 HB3 GLU 99 HB3 GLU 99 14.883 6.702 -2.060 768 HG2 GLU 99 HG2 GLU 99 16.126 4.927 -0.772 769 HG3 GLU 99 HG3 GLU 99 16.453 4.128 -2.327 770 H PHE 100 H PHE 100 11.718 5.098 -0.366 771 HA PHE 100 HA PHE 100 10.368 7.262 -1.857 772 HB2 PHE 100 HB2 PHE 100 9.551 4.826 -2.506 773 HB3 PHE 100 HB3 PHE 100 8.745 4.862 -0.949 774 HD1 PHE 100 HD1 PHE 100 8.616 5.760 -4.387 775 HD2 PHE 100 HD2 PHE 100 7.087 7.047 -0.501 776 HE1 PHE 100 HE1 PHE 100 6.908 7.143 -5.490 777 HE2 PHE 100 HE2 PHE 100 5.355 8.312 -1.663 778 HZ PHE 100 HZ PHE 100 5.249 8.366 -4.144 779 H LEU 101 H LEU 101 9.122 8.563 -0.537 780 HA LEU 101 HA LEU 101 8.550 7.763 2.203 781 HB2 LEU 101 HB2 LEU 101 9.607 9.683 3.235 782 HB3 LEU 101 HB3 LEU 101 10.791 8.688 2.412 783 HG LEU 101 HG LEU 101 10.364 10.434 0.434 784 HD11 LEU 101 HD11 LEU 101 9.910 12.094 2.984 785 HD12 LEU 101 HD12 LEU 101 8.683 11.840 1.736 786 HD13 LEU 101 HD13 LEU 101 10.139 12.747 1.353 787 HD21 LEU 101 HD21 LEU 101 12.123 11.039 2.817 788 HD22 LEU 101 HD22 LEU 101 12.327 11.619 1.147 789 HD23 LEU 101 HD23 LEU 101 12.515 9.900 1.500 790 H SER 102 H SER 102 6.883 8.760 2.957 791 HA SER 102 HA SER 102 5.456 10.893 1.461 792 HB2 SER 102 HB2 SER 102 4.302 8.374 2.749 793 HB3 SER 102 HB3 SER 102 3.370 9.695 2.023 794 HG SER 102 HG SER 102 4.359 9.248 0.039 795 HA PRO 103 HA PRO 103 5.276 12.747 5.535 796 HB2 PRO 103 HB2 PRO 103 3.226 14.542 5.279 797 HB3 PRO 103 HB3 PRO 103 4.726 14.675 4.326 798 HG2 PRO 103 HG2 PRO 103 2.100 13.413 3.505 799 HG3 PRO 103 HG3 PRO 103 3.057 14.640 2.626 800 HD2 PRO 103 HD2 PRO 103 3.253 11.974 2.060 801 HD3 PRO 103 HD3 PRO 103 4.669 13.061 1.964 802 H GLU 104 H GLU 104 3.182 13.530 7.110 803 HA GLU 104 HA GLU 104 2.255 11.189 8.347 804 HB2 GLU 104 HB2 GLU 104 0.667 12.664 9.524 805 HB3 GLU 104 HB3 GLU 104 2.348 13.237 9.565 806 HG2 GLU 104 HG2 GLU 104 1.889 14.938 7.892 807 HG3 GLU 104 HG3 GLU 104 0.266 14.298 7.614 808 H VAL 105 H VAL 105 0.861 12.858 5.587 809 HA VAL 105 HA VAL 105 -1.780 12.058 5.748 810 HB VAL 105 HB VAL 105 -0.383 13.550 4.087 811 HG11 VAL 105 HG11 VAL 105 -0.094 12.678 1.891 812 HG12 VAL 105 HG12 VAL 105 0.765 11.600 3.006 813 HG13 VAL 105 HG13 VAL 105 -0.806 11.114 2.339 814 HG21 VAL 105 HG21 VAL 105 -2.785 13.653 4.299 815 HG22 VAL 105 HG22 VAL 105 -2.371 13.588 2.579 816 HG23 VAL 105 HG23 VAL 105 -2.987 12.140 3.408 817 H PHE 106 H PHE 106 1.010 10.128 5.197 818 HA PHE 106 HA PHE 106 0.037 7.847 3.876 819 HB2 PHE 106 HB2 PHE 106 2.387 8.125 4.322 820 HB3 PHE 106 HB3 PHE 106 2.107 8.342 6.048 821 HD1 PHE 106 HD1 PHE 106 0.865 5.641 3.779 822 HD2 PHE 106 HD2 PHE 106 3.352 6.675 7.118 823 HE1 PHE 106 HE1 PHE 106 1.178 3.263 4.255 824 HE2 PHE 106 HE2 PHE 106 3.668 4.274 7.634 825 HZ PHE 106 HZ PHE 106 2.600 2.516 6.121 826 H GLN 107 H GLN 107 -0.366 8.899 7.271 827 HA GLN 107 HA GLN 107 -1.575 6.383 8.192 828 HB2 GLN 107 HB2 GLN 107 -1.160 9.115 9.461 829 HB3 GLN 107 HB3 GLN 107 -1.894 7.738 10.271 830 HG2 GLN 107 HG2 GLN 107 0.189 6.424 10.027 831 HG3 GLN 107 HG3 GLN 107 0.946 7.737 9.130 832 HE21 GLN 107 HE21 GLN 107 -0.862 7.292 12.265 833 HE22 GLN 107 HE22 GLN 107 0.107 8.429 13.160 834 H HIS 108 H HIS 108 -2.692 9.515 6.971 835 HA HIS 108 HA HIS 108 -5.352 9.412 7.855 836 HB2 HIS 108 HB2 HIS 108 -4.227 10.600 5.283 837 HB3 HIS 108 HB3 HIS 108 -5.864 10.802 5.812 838 HD1 HIS 108 HD1 HIS 108 -6.124 13.209 6.644 839 HD2 HIS 108 HD2 HIS 108 -2.544 11.321 7.876 840 HE1 HIS 108 HE1 HIS 108 -4.917 14.850 8.116 841 H ILE 109 H ILE 109 -3.943 7.679 5.050 842 HA ILE 109 HA ILE 109 -6.382 6.988 3.818 843 HB ILE 109 HB ILE 109 -3.674 5.611 3.804 844 HG12 ILE 109 HG12 ILE 109 -3.873 6.235 1.322 845 HG13 ILE 109 HG13 ILE 109 -5.293 7.189 1.748 846 HG21 ILE 109 HG21 ILE 109 -5.258 3.782 3.447 847 HG22 ILE 109 HG22 ILE 109 -6.173 4.762 2.273 848 HG23 ILE 109 HG23 ILE 109 -4.531 4.196 1.913 849 HD11 ILE 109 HD11 ILE 109 -3.935 8.708 3.044 850 HD12 ILE 109 HD12 ILE 109 -2.507 7.630 2.879 851 HD13 ILE 109 HD13 ILE 109 -3.199 8.443 1.456 852 H TRP 110 H TRP 110 -4.628 5.368 6.486 853 HA TRP 110 HA TRP 110 -6.427 3.138 6.525 854 HB2 TRP 110 HB2 TRP 110 -4.580 4.016 8.758 855 HB3 TRP 110 HB3 TRP 110 -5.132 2.389 8.377 856 HD1 TRP 110 HD1 TRP 110 -2.157 4.235 8.229 857 HE1 TRP 110 HE1 TRP 110 -0.551 3.532 6.411 858 HE3 TRP 110 HE3 TRP 110 -5.372 1.463 5.396 859 HZ2 TRP 110 HZ2 TRP 110 -0.672 2.034 3.903 860 HZ3 TRP 110 HZ3 TRP 110 -4.562 0.342 3.295 861 HH2 TRP 110 HH2 TRP 110 -2.218 0.623 2.555 862 H ASP 111 H ASP 111 -6.594 6.307 7.813 863 HA ASP 111 HA ASP 111 -8.349 5.710 10.062 864 HB2 ASP 111 HB2 ASP 111 -6.713 7.735 9.620 865 HB3 ASP 111 HB3 ASP 111 -8.090 8.438 8.780 866 H PHE 112 H PHE 112 -8.777 7.176 6.802 867 HA PHE 112 HA PHE 112 -11.614 7.228 7.166 868 HB2 PHE 112 HB2 PHE 112 -11.885 8.271 5.198 869 HB3 PHE 112 HB3 PHE 112 -10.217 8.682 5.537 870 HD1 PHE 112 HD1 PHE 112 -12.502 6.689 3.446 871 HD2 PHE 112 HD2 PHE 112 -8.384 7.652 4.241 872 HE1 PHE 112 HE1 PHE 112 -11.828 5.522 1.372 873 HE2 PHE 112 HE2 PHE 112 -7.720 6.530 2.145 874 HZ PHE 112 HZ PHE 112 -9.425 5.520 0.669 875 H LEU 113 H LEU 113 -9.506 4.718 6.165 876 HA LEU 113 HA LEU 113 -11.201 3.146 4.555 877 HB2 LEU 113 HB2 LEU 113 -9.618 1.570 4.703 878 HB3 LEU 113 HB3 LEU 113 -8.692 2.800 5.521 879 HG LEU 113 HG LEU 113 -9.619 1.756 7.734 880 HD11 LEU 113 HD11 LEU 113 -11.303 0.182 6.683 881 HD12 LEU 113 HD12 LEU 113 -10.073 -0.704 7.550 882 HD13 LEU 113 HD13 LEU 113 -10.000 -0.588 5.774 883 HD21 LEU 113 HD21 LEU 113 -7.343 1.468 7.433 884 HD22 LEU 113 HD22 LEU 113 -7.536 0.633 5.891 885 HD23 LEU 113 HD23 LEU 113 -7.858 -0.190 7.449 886 H GLU 114 H GLU 114 -11.060 3.556 8.095 887 HA GLU 114 HA GLU 114 -13.378 1.788 8.470 888 HB2 GLU 114 HB2 GLU 114 -13.004 2.175 10.880 889 HB3 GLU 114 HB3 GLU 114 -11.702 1.372 10.016 890 HG2 GLU 114 HG2 GLU 114 -10.454 3.537 9.939 891 HG3 GLU 114 HG3 GLU 114 -11.696 4.243 11.000 892 H GLN 115 H GLN 115 -12.514 5.272 8.817 893 HA GLN 115 HA GLN 115 -15.435 5.819 9.124 894 HB2 GLN 115 HB2 GLN 115 -13.004 7.412 9.993 895 HB3 GLN 115 HB3 GLN 115 -14.682 7.961 10.077 896 HG2 GLN 115 HG2 GLN 115 -15.178 5.851 11.445 897 HG3 GLN 115 HG3 GLN 115 -13.430 5.636 11.587 898 HE21 GLN 115 HE21 GLN 115 -12.268 7.040 13.039 899 HE22 GLN 115 HE22 GLN 115 -13.132 8.085 14.148 900 HA PRO 116 HA PRO 116 -14.450 7.381 4.868 901 HB2 PRO 116 HB2 PRO 116 -16.785 6.679 3.627 902 HB3 PRO 116 HB3 PRO 116 -15.476 5.513 3.920 903 HG2 PRO 116 HG2 PRO 116 -17.949 5.977 5.619 904 HG3 PRO 116 HG3 PRO 116 -17.315 4.421 5.007 905 HD2 PRO 116 HD2 PRO 116 -16.770 5.292 7.520 906 HD3 PRO 116 HD3 PRO 116 -15.527 4.442 6.552 907 H ILE 117 H ILE 117 -14.503 9.417 6.102 908 HA ILE 117 HA ILE 117 -16.963 10.977 5.571 909 HB ILE 117 HB ILE 117 -15.488 11.281 8.199 910 HG12 ILE 117 HG12 ILE 117 -17.986 9.563 8.046 911 HG13 ILE 117 HG13 ILE 117 -16.374 8.865 8.110 912 HG21 ILE 117 HG21 ILE 117 -17.586 12.415 8.808 913 HG22 ILE 117 HG22 ILE 117 -17.033 13.036 7.257 914 HG23 ILE 117 HG23 ILE 117 -18.355 11.867 7.298 915 HD11 ILE 117 HD11 ILE 117 -17.511 10.638 10.259 916 HD12 ILE 117 HD12 ILE 117 -17.274 8.883 10.314 917 HD13 ILE 117 HD13 ILE 117 -15.873 9.962 10.211 918 H SER 118 H SER 118 -14.942 11.034 3.854 919 HA SER 118 HA SER 118 -13.885 13.716 4.159 920 HB2 SER 118 HB2 SER 118 -11.463 12.917 3.795 921 HB3 SER 118 HB3 SER 118 -12.150 12.711 5.411 922 HG SER 118 HG SER 118 -11.544 10.776 5.190 923 H SER 119 H SER 119 -14.093 10.771 2.244 924 HA SER 119 HA SER 119 -13.984 10.398 -0.015 925 HB2 SER 119 HB2 SER 119 -15.075 13.225 -0.067 926 HB3 SER 119 HB3 SER 119 -15.040 12.135 -1.464 927 HG SER 119 HG SER 119 -16.376 10.754 -0.501 928 H VAL 120 H VAL 120 -11.446 11.797 1.283 929 HA VAL 120 HA VAL 120 -9.671 12.861 0.703 930 HB VAL 120 HB VAL 120 -8.271 11.397 -0.449 931 HG11 VAL 120 HG11 VAL 120 -8.783 10.968 1.874 932 HG12 VAL 120 HG12 VAL 120 -10.079 9.854 1.408 933 HG13 VAL 120 HG13 VAL 120 -8.399 9.466 0.997 934 HG21 VAL 120 HG21 VAL 120 -8.803 9.633 -1.827 935 HG22 VAL 120 HG22 VAL 120 -10.286 9.235 -0.923 936 HG23 VAL 120 HG23 VAL 120 -10.261 10.560 -2.091 937 H GLN 121 H GLN 121 -11.296 14.449 -0.301 938 HA GLN 121 HA GLN 121 -11.408 15.002 -3.060 939 HB2 GLN 121 HB2 GLN 121 -11.260 17.004 -0.758 940 HB3 GLN 121 HB3 GLN 121 -11.705 17.398 -2.412 941 HG2 GLN 121 HG2 GLN 121 -13.235 15.589 -0.506 942 HG3 GLN 121 HG3 GLN 121 -13.680 17.218 -1.004 943 HE21 GLN 121 HE21 GLN 121 -13.546 17.285 -3.779 944 HE22 GLN 121 HE22 GLN 121 -14.594 16.072 -4.423 945 HA PRO 122 HA PRO 122 -6.947 15.762 -3.362 946 HB2 PRO 122 HB2 PRO 122 -6.707 15.857 -6.077 947 HB3 PRO 122 HB3 PRO 122 -6.969 14.317 -5.204 948 HG2 PRO 122 HG2 PRO 122 -9.005 16.044 -6.632 949 HG3 PRO 122 HG3 PRO 122 -8.789 14.266 -6.730 950 HD2 PRO 122 HD2 PRO 122 -10.635 15.490 -5.087 951 HD3 PRO 122 HD3 PRO 122 -9.848 13.938 -4.669 952 H ILE 123 H ILE 123 -5.706 17.651 -3.790 953 HA ILE 123 HA ILE 123 -7.010 20.052 -4.858 954 HB ILE 123 HB ILE 123 -6.068 21.380 -3.044 955 HG12 ILE 123 HG12 ILE 123 -5.601 18.863 -1.428 956 HG13 ILE 123 HG13 ILE 123 -4.316 19.638 -2.356 957 HG21 ILE 123 HG21 ILE 123 -8.421 20.675 -3.012 958 HG22 ILE 123 HG22 ILE 123 -8.004 19.283 -2.002 959 HG23 ILE 123 HG23 ILE 123 -7.783 20.936 -1.386 960 HD11 ILE 123 HD11 ILE 123 -4.199 20.395 -0.049 961 HD12 ILE 123 HD12 ILE 123 -4.632 21.749 -1.107 962 HD13 ILE 123 HD13 ILE 123 -5.874 20.965 -0.106 963 H ASP 124 H ASP 124 -4.742 21.702 -4.456 964 HA ASP 124 HA ASP 124 -3.139 20.798 -6.642 965 HB2 ASP 124 HB2 ASP 124 -3.673 23.165 -6.270 966 HB3 ASP 124 HB3 ASP 124 -2.796 23.143 -4.727 Start of MODEL 2 1 H1 ALA 1 H ALA 1 23.300 8.818 17.445 2 HA ALA 1 HA ALA 1 25.033 6.973 15.942 3 HB1 ALA 1 HB1 ALA 1 22.799 5.954 16.380 4 HB2 ALA 1 HB2 ALA 1 22.018 7.339 15.590 5 HB3 ALA 1 HB3 ALA 1 23.062 6.247 14.655 6 H THR 2 H THR 2 24.248 7.515 13.356 7 HA THR 2 HA THR 2 24.109 10.433 12.993 8 HB THR 2 HB THR 2 26.487 9.860 13.203 9 HG1 THR 2 HG1 THR 2 27.126 10.898 11.276 10 HG21 THR 2 HG21 THR 2 26.192 8.276 10.622 11 HG22 THR 2 HG22 THR 2 26.578 7.608 12.225 12 HG23 THR 2 HG23 THR 2 27.709 8.702 11.436 13 H GLN 3 H GLN 3 22.197 8.303 12.718 14 HA GLN 3 HA GLN 3 21.608 8.421 9.814 15 HB2 GLN 3 HB2 GLN 3 22.437 6.172 10.326 16 HB3 GLN 3 HB3 GLN 3 21.355 6.047 11.708 17 HG2 GLN 3 HG2 GLN 3 20.558 4.689 9.874 18 HG3 GLN 3 HG3 GLN 3 19.407 5.964 10.219 19 HE21 GLN 3 HE21 GLN 3 20.706 4.337 7.690 20 HE22 GLN 3 HE22 GLN 3 20.692 5.590 6.446 21 H SER 4 H SER 4 19.389 8.676 9.357 22 HA SER 4 HA SER 4 17.869 10.158 11.314 23 HB2 SER 4 HB2 SER 4 16.925 8.928 8.688 24 HB3 SER 4 HB3 SER 4 16.327 10.401 9.467 25 HG SER 4 HG SER 4 18.215 11.446 8.886 26 HA PRO 5 HA PRO 5 15.535 6.571 12.723 27 HB2 PRO 5 HB2 PRO 5 13.202 7.619 13.647 28 HB3 PRO 5 HB3 PRO 5 14.786 7.970 14.380 29 HG2 PRO 5 HG2 PRO 5 13.229 9.694 12.448 30 HG3 PRO 5 HG3 PRO 5 14.057 10.184 13.950 31 HD2 PRO 5 HD2 PRO 5 15.169 10.422 11.424 32 HD3 PRO 5 HD3 PRO 5 16.138 10.209 12.905 33 H GLY 6 H GLY 6 15.706 6.188 10.293 34 HA2 GLY 6 HA2 GLY 6 13.168 6.252 8.743 35 HA3 GLY 6 HA3 GLY 6 14.794 5.911 8.123 36 H ASP 7 H ASP 7 15.736 3.950 9.983 37 HA ASP 7 HA ASP 7 14.384 1.647 9.004 38 HB2 ASP 7 HB2 ASP 7 15.909 0.345 10.184 39 HB3 ASP 7 HB3 ASP 7 16.820 1.790 9.735 40 H SER 8 H SER 8 13.799 3.695 11.763 41 HA SER 8 HA SER 8 12.304 1.975 13.421 42 HB2 SER 8 HB2 SER 8 11.789 4.934 13.043 43 HB3 SER 8 HB3 SER 8 11.713 3.983 14.536 44 HG SER 8 HG SER 8 13.619 4.995 14.714 45 H ARG 9 H ARG 9 11.516 3.483 10.369 46 HA ARG 9 HA ARG 9 8.665 3.669 10.625 47 HB2 ARG 9 HB2 ARG 9 10.366 3.456 8.092 48 HB3 ARG 9 HB3 ARG 9 8.691 3.940 8.168 49 HG2 ARG 9 HG2 ARG 9 10.895 5.487 9.630 50 HG3 ARG 9 HG3 ARG 9 10.286 5.906 8.042 51 HD2 ARG 9 HD2 ARG 9 8.010 6.238 8.977 52 HD3 ARG 9 HD3 ARG 9 8.590 5.769 10.584 53 HE ARG 9 HE ARG 9 10.118 7.961 9.484 54 HH11 ARG 9 HH11 ARG 9 6.951 7.313 11.046 55 HH12 ARG 9 HH12 ARG 9 6.773 8.949 11.555 56 HH21 ARG 9 HH21 ARG 9 9.952 9.962 10.355 57 HH22 ARG 9 HH22 ARG 9 8.418 10.590 10.928 58 H ARG 10 H ARG 10 10.769 0.971 9.912 59 HA ARG 10 HA ARG 10 9.003 -0.641 8.435 60 HB2 ARG 10 HB2 ARG 10 10.329 -2.506 9.181 61 HB3 ARG 10 HB3 ARG 10 11.397 -1.121 8.944 62 HG2 ARG 10 HG2 ARG 10 11.132 -0.812 11.541 63 HG3 ARG 10 HG3 ARG 10 10.414 -2.422 11.504 64 HD2 ARG 10 HD2 ARG 10 12.447 -3.316 10.357 65 HD3 ARG 10 HD3 ARG 10 13.186 -1.703 10.442 66 HE ARG 10 HE ARG 10 12.358 -2.487 13.040 67 HH11 ARG 10 HH11 ARG 10 15.034 -2.876 10.747 68 HH12 ARG 10 HH12 ARG 10 16.132 -3.487 11.929 69 HH21 ARG 10 HH21 ARG 10 13.647 -3.599 14.487 70 HH22 ARG 10 HH22 ARG 10 15.321 -3.886 14.193 71 H LEU 11 H LEU 11 9.014 -0.106 12.009 72 HA LEU 11 HA LEU 11 7.156 -2.124 12.522 73 HB2 LEU 11 HB2 LEU 11 6.995 -1.359 14.675 74 HB3 LEU 11 HB3 LEU 11 8.581 -0.840 14.161 75 HG LEU 11 HG LEU 11 7.315 1.482 13.675 76 HD11 LEU 11 HD11 LEU 11 5.588 1.916 15.426 77 HD12 LEU 11 HD12 LEU 11 5.617 0.192 15.880 78 HD13 LEU 11 HD13 LEU 11 5.006 0.694 14.312 79 HD21 LEU 11 HD21 LEU 11 7.900 2.168 15.988 80 HD22 LEU 11 HD22 LEU 11 9.169 1.239 15.189 81 HD23 LEU 11 HD23 LEU 11 8.154 0.450 16.404 82 H SER 12 H SER 12 6.526 1.297 11.777 83 HA SER 12 HA SER 12 3.661 1.040 12.064 84 HB2 SER 12 HB2 SER 12 3.837 3.348 10.811 85 HB3 SER 12 HB3 SER 12 4.331 3.169 12.499 86 HG SER 12 HG SER 12 5.811 4.327 11.133 87 H ILE 13 H ILE 13 5.866 1.223 9.265 88 HA ILE 13 HA ILE 13 3.921 1.074 7.246 89 HB ILE 13 HB ILE 13 6.813 0.158 7.362 90 HG12 ILE 13 HG12 ILE 13 5.534 2.558 5.973 91 HG13 ILE 13 HG13 ILE 13 6.266 2.639 7.572 92 HG21 ILE 13 HG21 ILE 13 5.828 -1.161 5.646 93 HG22 ILE 13 HG22 ILE 13 4.930 0.238 5.020 94 HG23 ILE 13 HG23 ILE 13 6.688 0.133 4.837 95 HD11 ILE 13 HD11 ILE 13 7.711 2.038 4.964 96 HD12 ILE 13 HD12 ILE 13 7.897 3.431 6.019 97 HD13 ILE 13 HD13 ILE 13 8.441 1.836 6.581 98 H GLN 14 H GLN 14 5.729 -1.710 8.760 99 HA GLN 14 HA GLN 14 4.299 -3.685 7.423 100 HB2 GLN 14 HB2 GLN 14 5.670 -3.726 10.104 101 HB3 GLN 14 HB3 GLN 14 5.029 -5.182 9.332 102 HG2 GLN 14 HG2 GLN 14 6.964 -3.363 7.868 103 HG3 GLN 14 HG3 GLN 14 7.537 -4.582 8.985 104 HE21 GLN 14 HE21 GLN 14 8.076 -6.492 8.011 105 HE22 GLN 14 HE22 GLN 14 7.460 -7.027 6.437 106 H ARG 15 H ARG 15 3.177 -1.835 10.313 107 HA ARG 15 HA ARG 15 1.225 -3.798 11.004 108 HB2 ARG 15 HB2 ARG 15 2.052 -1.942 12.491 109 HB3 ARG 15 HB3 ARG 15 1.207 -0.770 11.485 110 HG2 ARG 15 HG2 ARG 15 0.038 -1.353 13.592 111 HG3 ARG 15 HG3 ARG 15 -0.946 -1.643 12.147 112 HD2 ARG 15 HD2 ARG 15 -0.668 -3.998 12.289 113 HD3 ARG 15 HD3 ARG 15 0.677 -3.857 13.443 114 HE ARG 15 HE ARG 15 -1.760 -2.736 14.497 115 HH11 ARG 15 HH11 ARG 15 -0.129 -5.864 13.959 116 HH12 ARG 15 HH12 ARG 15 -0.768 -6.575 15.411 117 HH21 ARG 15 HH21 ARG 15 -2.662 -3.699 16.292 118 HH22 ARG 15 HH22 ARG 15 -2.286 -5.358 16.722 119 H ALA 16 H ALA 16 1.350 -1.361 8.469 120 HA ALA 16 HA ALA 16 -1.532 -1.502 7.894 121 HB1 ALA 16 HB1 ALA 16 -0.943 -0.202 5.903 122 HB2 ALA 16 HB2 ALA 16 -0.236 0.554 7.353 123 HB3 ALA 16 HB3 ALA 16 0.786 -0.386 6.247 124 H ILE 17 H ILE 17 1.547 -2.555 6.416 125 HA ILE 17 HA ILE 17 0.609 -4.082 4.342 126 HB ILE 17 HB ILE 17 3.153 -4.377 5.914 127 HG12 ILE 17 HG12 ILE 17 2.477 -2.973 3.275 128 HG13 ILE 17 HG13 ILE 17 2.750 -2.156 4.812 129 HG21 ILE 17 HG21 ILE 17 2.719 -6.470 4.602 130 HG22 ILE 17 HG22 ILE 17 2.669 -5.467 3.126 131 HG23 ILE 17 HG23 ILE 17 4.145 -5.606 4.107 132 HD11 ILE 17 HD11 ILE 17 5.075 -3.097 4.838 133 HD12 ILE 17 HD12 ILE 17 4.790 -3.655 3.176 134 HD13 ILE 17 HD13 ILE 17 4.746 -1.945 3.520 135 H GLN 18 H GLN 18 1.012 -5.319 7.737 136 HA GLN 18 HA GLN 18 0.621 -8.015 7.161 137 HB2 GLN 18 HB2 GLN 18 -0.106 -8.333 9.438 138 HB3 GLN 18 HB3 GLN 18 1.193 -7.127 9.406 139 HG2 GLN 18 HG2 GLN 18 -0.321 -5.353 9.678 140 HG3 GLN 18 HG3 GLN 18 -1.747 -6.385 9.560 141 HE21 GLN 18 HE21 GLN 18 -2.743 -6.579 11.457 142 HE22 GLN 18 HE22 GLN 18 -2.002 -6.593 13.018 143 H SER 19 H SER 19 -1.754 -5.482 7.178 144 HA SER 19 HA SER 19 -4.058 -7.324 7.016 145 HB2 SER 19 HB2 SER 19 -3.832 -5.046 8.339 146 HB3 SER 19 HB3 SER 19 -4.229 -4.321 6.783 147 HG SER 19 HG SER 19 -5.708 -6.300 8.225 148 H LEU 20 H LEU 20 -2.310 -4.928 5.022 149 HA LEU 20 HA LEU 20 -3.898 -5.104 2.711 150 HB2 LEU 20 HB2 LEU 20 -2.266 -3.347 3.208 151 HB3 LEU 20 HB3 LEU 20 -0.933 -4.482 2.993 152 HG LEU 20 HG LEU 20 -2.854 -4.277 0.708 153 HD11 LEU 20 HD11 LEU 20 -2.641 -1.908 1.366 154 HD12 LEU 20 HD12 LEU 20 -1.816 -2.219 -0.162 155 HD13 LEU 20 HD13 LEU 20 -0.867 -2.042 1.331 156 HD21 LEU 20 HD21 LEU 20 0.211 -4.269 0.850 157 HD22 LEU 20 HD22 LEU 20 -0.781 -4.359 -0.620 158 HD23 LEU 20 HD23 LEU 20 -0.822 -5.680 0.540 159 H VAL 21 H VAL 21 -0.843 -6.886 3.431 160 HA VAL 21 HA VAL 21 -0.717 -8.427 1.077 161 HB VAL 21 HB VAL 21 0.227 -8.999 3.916 162 HG11 VAL 21 HG11 VAL 21 0.809 -10.605 1.386 163 HG12 VAL 21 HG12 VAL 21 1.731 -10.736 2.894 164 HG13 VAL 21 HG13 VAL 21 0.031 -11.204 2.861 165 HG21 VAL 21 HG21 VAL 21 1.252 -7.093 2.585 166 HG22 VAL 21 HG22 VAL 21 2.395 -8.354 3.092 167 HG23 VAL 21 HG23 VAL 21 1.822 -8.303 1.416 168 H HIS 22 H HIS 22 -2.204 -9.292 4.243 169 HA HIS 22 HA HIS 22 -3.220 -11.765 3.520 170 HB2 HIS 22 HB2 HIS 22 -3.288 -10.980 5.815 171 HB3 HIS 22 HB3 HIS 22 -4.358 -9.645 5.401 172 HD1 HIS 22 HD1 HIS 22 -4.454 -13.540 5.367 173 HD2 HIS 22 HD2 HIS 22 -6.980 -10.142 5.348 174 HE1 HIS 22 HE1 HIS 22 -6.815 -14.366 5.567 175 H ALA 23 H ALA 23 -4.971 -8.597 3.282 176 HA ALA 23 HA ALA 23 -7.267 -9.655 2.033 177 HB1 ALA 23 HB1 ALA 23 -7.151 -7.530 3.134 178 HB2 ALA 23 HB2 ALA 23 -5.987 -6.897 1.936 179 HB3 ALA 23 HB3 ALA 23 -7.650 -7.254 1.443 180 H ALA 24 H ALA 24 -4.154 -8.804 0.611 181 HA ALA 24 HA ALA 24 -5.122 -8.579 -2.108 182 HB1 ALA 24 HB1 ALA 24 -2.762 -8.533 -2.703 183 HB2 ALA 24 HB2 ALA 24 -3.044 -7.466 -1.311 184 HB3 ALA 24 HB3 ALA 24 -2.293 -9.062 -1.082 185 H GLN 25 H GLN 25 -4.062 -11.265 -0.052 186 HA GLN 25 HA GLN 25 -4.095 -13.099 -2.410 187 HB2 GLN 25 HB2 GLN 25 -2.910 -14.653 -1.043 188 HB3 GLN 25 HB3 GLN 25 -2.042 -13.114 -1.118 189 HG2 GLN 25 HG2 GLN 25 -2.960 -12.574 1.160 190 HG3 GLN 25 HG3 GLN 25 -3.716 -14.155 1.221 191 HE21 GLN 25 HE21 GLN 25 -1.116 -15.297 -0.246 192 HE22 GLN 25 HE22 GLN 25 -0.030 -15.443 1.097 193 H CYS 26 H CYS 26 -5.949 -12.234 0.335 194 HA CYS 26 HA CYS 26 -7.221 -14.580 1.109 195 HB2 CYS 26 HB2 CYS 26 -7.327 -12.556 2.363 196 HB3 CYS 26 HB3 CYS 26 -8.110 -11.707 1.025 197 H ARG 27 H ARG 27 -7.824 -15.913 -0.502 198 HA ARG 27 HA ARG 27 -10.304 -15.323 -1.989 199 HB2 ARG 27 HB2 ARG 27 -7.741 -16.376 -3.314 200 HB3 ARG 27 HB3 ARG 27 -9.357 -16.455 -4.025 201 HG2 ARG 27 HG2 ARG 27 -9.480 -13.930 -3.815 202 HG3 ARG 27 HG3 ARG 27 -7.768 -13.946 -3.356 203 HD2 ARG 27 HD2 ARG 27 -7.189 -15.031 -5.503 204 HD3 ARG 27 HD3 ARG 27 -8.887 -15.010 -5.988 205 HE ARG 27 HE ARG 27 -6.987 -12.878 -6.148 206 HH11 ARG 27 HH11 ARG 27 -10.479 -13.491 -5.917 207 HH12 ARG 27 HH12 ARG 27 -10.936 -11.843 -6.198 208 HH21 ARG 27 HH21 ARG 27 -7.557 -10.749 -6.388 209 HH22 ARG 27 HH22 ARG 27 -9.220 -10.213 -6.550 210 H ASN 28 H ASN 28 -11.145 -16.598 -0.240 211 HA ASN 28 HA ASN 28 -10.973 -19.436 -0.651 212 HB2 ASN 28 HB2 ASN 28 -8.929 -18.491 0.959 213 HB3 ASN 28 HB3 ASN 28 -10.187 -18.719 2.158 214 HD21 ASN 28 HD21 ASN 28 -7.715 -20.222 0.460 215 HD22 ASN 28 HD22 ASN 28 -8.234 -21.898 0.578 216 H ALA 29 H ALA 29 -12.174 -20.484 1.316 217 HA ALA 29 HA ALA 29 -14.594 -18.843 1.976 218 HB1 ALA 29 HB1 ALA 29 -14.246 -21.876 1.901 219 HB2 ALA 29 HB2 ALA 29 -15.747 -20.965 2.178 220 HB3 ALA 29 HB3 ALA 29 -14.968 -20.889 0.596 221 H ASN 30 H ASN 30 -12.065 -21.058 3.213 222 HA ASN 30 HA ASN 30 -12.894 -21.037 5.951 223 HB2 ASN 30 HB2 ASN 30 -11.415 -22.739 4.929 224 HB3 ASN 30 HB3 ASN 30 -10.158 -21.514 4.675 225 HD21 ASN 30 HD21 ASN 30 -8.757 -23.055 5.961 226 HD22 ASN 30 HD22 ASN 30 -8.966 -23.070 7.707 227 H CYS 31 H CYS 31 -11.350 -18.652 3.975 228 HA CYS 31 HA CYS 31 -9.965 -17.275 6.155 229 HB2 CYS 31 HB2 CYS 31 -9.192 -17.349 3.738 230 HB3 CYS 31 HB3 CYS 31 -10.570 -16.292 3.330 231 H SER 32 H SER 32 -11.083 -16.078 7.568 232 HA SER 32 HA SER 32 -13.290 -14.365 6.631 233 HB2 SER 32 HB2 SER 32 -13.580 -16.324 8.952 234 HB3 SER 32 HB3 SER 32 -14.747 -15.075 8.506 235 HG SER 32 HG SER 32 -13.896 -17.148 6.743 236 H LEU 33 H LEU 33 -11.728 -12.647 6.931 237 HA LEU 33 HA LEU 33 -11.080 -12.102 9.791 238 HB2 LEU 33 HB2 LEU 33 -9.443 -11.888 7.299 239 HB3 LEU 33 HB3 LEU 33 -9.333 -10.544 8.443 240 HG LEU 33 HG LEU 33 -8.933 -12.334 10.260 241 HD11 LEU 33 HD11 LEU 33 -7.829 -14.408 9.444 242 HD12 LEU 33 HD12 LEU 33 -8.304 -13.979 7.770 243 HD13 LEU 33 HD13 LEU 33 -9.524 -14.341 9.000 244 HD21 LEU 33 HD21 LEU 33 -7.225 -10.758 9.480 245 HD22 LEU 33 HD22 LEU 33 -6.815 -11.841 8.139 246 HD23 LEU 33 HD23 LEU 33 -6.532 -12.343 9.829 247 HA PRO 34 HA PRO 34 -13.689 -8.590 9.347 248 HB2 PRO 34 HB2 PRO 34 -12.835 -6.973 11.407 249 HB3 PRO 34 HB3 PRO 34 -13.807 -8.457 11.607 250 HG2 PRO 34 HG2 PRO 34 -10.817 -8.136 11.912 251 HG3 PRO 34 HG3 PRO 34 -11.949 -9.006 12.983 252 HD2 PRO 34 HD2 PRO 34 -10.465 -10.316 11.118 253 HD3 PRO 34 HD3 PRO 34 -12.131 -10.824 11.498 254 H SER 35 H SER 35 -10.184 -7.615 9.813 255 HA SER 35 HA SER 35 -10.704 -5.088 8.488 256 HB2 SER 35 HB2 SER 35 -8.798 -5.862 10.231 257 HB3 SER 35 HB3 SER 35 -7.916 -6.117 8.728 258 HG SER 35 HG SER 35 -9.047 -3.750 9.831 259 H CYS 36 H CYS 36 -9.789 -8.316 7.441 260 HA CYS 36 HA CYS 36 -8.564 -7.912 5.009 261 HB2 CYS 36 HB2 CYS 36 -9.048 -10.091 6.162 262 HB3 CYS 36 HB3 CYS 36 -10.730 -9.980 5.648 263 H GLN 37 H GLN 37 -12.046 -8.127 5.610 264 HA GLN 37 HA GLN 37 -13.079 -7.539 3.070 265 HB2 GLN 37 HB2 GLN 37 -14.069 -6.950 5.886 266 HB3 GLN 37 HB3 GLN 37 -15.064 -6.647 4.457 267 HG2 GLN 37 HG2 GLN 37 -15.231 -8.898 3.903 268 HG3 GLN 37 HG3 GLN 37 -13.835 -9.371 4.880 269 HE21 GLN 37 HE21 GLN 37 -14.115 -9.930 7.057 270 HE22 GLN 37 HE22 GLN 37 -15.714 -9.951 7.795 271 H LYS 38 H LYS 38 -12.107 -5.232 5.653 272 HA LYS 38 HA LYS 38 -12.976 -2.893 4.186 273 HB2 LYS 38 HB2 LYS 38 -10.822 -2.964 6.338 274 HB3 LYS 38 HB3 LYS 38 -11.857 -1.613 5.848 275 HG2 LYS 38 HG2 LYS 38 -13.828 -2.725 6.803 276 HG3 LYS 38 HG3 LYS 38 -12.836 -4.142 7.223 277 HD2 LYS 38 HD2 LYS 38 -11.432 -2.761 8.693 278 HD3 LYS 38 HD3 LYS 38 -12.451 -1.354 8.337 279 HE2 LYS 38 HE2 LYS 38 -14.388 -2.377 9.353 280 HE3 LYS 38 HE3 LYS 38 -13.573 -3.946 9.456 281 HZ1 LYS 38 HZ1 LYS 38 -11.979 -2.892 11.010 282 HZ2 LYS 38 HZ2 LYS 38 -13.510 -2.930 11.593 283 HZ3 LYS 38 HZ3 LYS 38 -12.851 -1.533 11.032 284 H MET 39 H MET 39 -9.898 -4.654 4.492 285 HA MET 39 HA MET 39 -8.353 -2.769 2.987 286 HB2 MET 39 HB2 MET 39 -8.030 -5.691 3.632 287 HB3 MET 39 HB3 MET 39 -6.792 -4.790 2.740 288 HG2 MET 39 HG2 MET 39 -7.707 -4.007 5.543 289 HG3 MET 39 HG3 MET 39 -6.520 -5.244 5.228 290 HE1 MET 39 HE1 MET 39 -6.578 -1.645 3.149 291 HE2 MET 39 HE2 MET 39 -7.334 -1.477 4.758 292 HE3 MET 39 HE3 MET 39 -5.742 -0.760 4.432 293 H LYS 40 H LYS 40 -10.357 -5.608 2.010 294 HA LYS 40 HA LYS 40 -9.571 -5.828 -0.686 295 HB2 LYS 40 HB2 LYS 40 -12.127 -6.380 0.828 296 HB3 LYS 40 HB3 LYS 40 -12.295 -6.131 -0.882 297 HG2 LYS 40 HG2 LYS 40 -12.177 -8.443 -0.599 298 HG3 LYS 40 HG3 LYS 40 -10.624 -7.969 -1.295 299 HD2 LYS 40 HD2 LYS 40 -9.646 -8.009 0.997 300 HD3 LYS 40 HD3 LYS 40 -11.194 -8.537 1.655 301 HE2 LYS 40 HE2 LYS 40 -9.705 -10.152 -0.467 302 HE3 LYS 40 HE3 LYS 40 -9.343 -10.240 1.258 303 HZ1 LYS 40 HZ1 LYS 40 -11.836 -10.694 1.502 304 HZ2 LYS 40 HZ2 LYS 40 -10.775 -11.872 1.102 305 HZ3 LYS 40 HZ3 LYS 40 -11.735 -11.240 -0.058 306 H ARG 41 H ARG 41 -11.809 -3.500 0.849 307 HA ARG 41 HA ARG 41 -12.670 -2.219 -1.502 308 HB2 ARG 41 HB2 ARG 41 -13.577 -2.034 0.915 309 HB3 ARG 41 HB3 ARG 41 -12.250 -0.906 1.195 310 HG2 ARG 41 HG2 ARG 41 -14.196 0.373 0.754 311 HG3 ARG 41 HG3 ARG 41 -13.131 0.550 -0.656 312 HD2 ARG 41 HD2 ARG 41 -14.486 -1.181 -1.845 313 HD3 ARG 41 HD3 ARG 41 -15.477 -1.350 -0.375 314 HE ARG 41 HE ARG 41 -15.267 1.367 -1.428 315 HH11 ARG 41 HH11 ARG 41 -17.210 -1.594 -1.459 316 HH12 ARG 41 HH12 ARG 41 -18.641 -0.779 -2.010 317 HH21 ARG 41 HH21 ARG 41 -16.987 2.370 -2.162 318 HH22 ARG 41 HH22 ARG 41 -18.510 1.590 -2.573 319 H VAL 42 H VAL 42 -9.760 -1.515 0.525 320 HA VAL 42 HA VAL 42 -9.033 0.826 -0.921 321 HB VAL 42 HB VAL 42 -7.194 -1.035 0.636 322 HG11 VAL 42 HG11 VAL 42 -7.066 1.962 0.070 323 HG12 VAL 42 HG12 VAL 42 -5.918 1.044 1.071 324 HG13 VAL 42 HG13 VAL 42 -6.029 0.721 -0.664 325 HG21 VAL 42 HG21 VAL 42 -9.056 -0.493 2.122 326 HG22 VAL 42 HG22 VAL 42 -7.685 0.514 2.586 327 HG23 VAL 42 HG23 VAL 42 -9.011 1.210 1.640 328 H VAL 43 H VAL 43 -8.440 -2.644 -1.450 329 HA VAL 43 HA VAL 43 -6.595 -2.173 -3.629 330 HB VAL 43 HB VAL 43 -8.161 -4.714 -3.073 331 HG11 VAL 43 HG11 VAL 43 -6.217 -5.765 -4.215 332 HG12 VAL 43 HG12 VAL 43 -7.027 -4.597 -5.267 333 HG13 VAL 43 HG13 VAL 43 -5.500 -4.166 -4.483 334 HG21 VAL 43 HG21 VAL 43 -6.127 -5.478 -1.843 335 HG22 VAL 43 HG22 VAL 43 -5.422 -3.853 -2.003 336 HG23 VAL 43 HG23 VAL 43 -6.873 -4.113 -1.028 337 H GLN 44 H GLN 44 -10.111 -2.594 -3.351 338 HA GLN 44 HA GLN 44 -10.649 -2.577 -6.152 339 HB2 GLN 44 HB2 GLN 44 -12.346 -1.913 -3.732 340 HB3 GLN 44 HB3 GLN 44 -12.993 -1.959 -5.368 341 HG2 GLN 44 HG2 GLN 44 -12.677 -4.264 -5.604 342 HG3 GLN 44 HG3 GLN 44 -11.449 -4.360 -4.356 343 HE21 GLN 44 HE21 GLN 44 -12.869 -6.274 -3.698 344 HE22 GLN 44 HE22 GLN 44 -14.182 -5.932 -2.600 345 H HIS 45 H HIS 45 -9.986 0.081 -3.856 346 HA HIS 45 HA HIS 45 -11.096 2.173 -5.433 347 HB2 HIS 45 HB2 HIS 45 -10.507 2.778 -3.239 348 HB3 HIS 45 HB3 HIS 45 -8.860 2.150 -3.400 349 HD1 HIS 45 HD1 HIS 45 -10.938 5.245 -4.456 350 HD2 HIS 45 HD2 HIS 45 -7.034 3.649 -4.575 351 HE1 HIS 45 HE1 HIS 45 -9.427 7.104 -5.293 352 H THR 46 H THR 46 -7.643 0.892 -5.378 353 HA THR 46 HA THR 46 -6.891 2.524 -7.521 354 HB THR 46 HB THR 46 -5.224 1.459 -6.227 355 HG1 THR 46 HG1 THR 46 -4.996 0.536 -8.886 356 HG21 THR 46 HG21 THR 46 -5.998 -0.684 -5.687 357 HG22 THR 46 HG22 THR 46 -4.570 -0.940 -6.695 358 HG23 THR 46 HG23 THR 46 -6.183 -1.160 -7.395 359 H LYS 47 H LYS 47 -8.665 -0.543 -7.560 360 HA LYS 47 HA LYS 47 -8.256 -1.210 -10.303 361 HB2 LYS 47 HB2 LYS 47 -8.996 -2.744 -8.514 362 HB3 LYS 47 HB3 LYS 47 -10.562 -1.934 -8.445 363 HG2 LYS 47 HG2 LYS 47 -11.212 -2.685 -10.589 364 HG3 LYS 47 HG3 LYS 47 -9.564 -3.151 -11.030 365 HD2 LYS 47 HD2 LYS 47 -11.085 -4.465 -8.753 366 HD3 LYS 47 HD3 LYS 47 -11.200 -5.038 -10.408 367 HE2 LYS 47 HE2 LYS 47 -8.611 -4.795 -8.821 368 HE3 LYS 47 HE3 LYS 47 -9.535 -6.284 -9.021 369 HZ1 LYS 47 HZ1 LYS 47 -7.747 -6.242 -10.571 370 HZ2 LYS 47 HZ2 LYS 47 -8.153 -4.786 -11.179 371 HZ3 LYS 47 HZ3 LYS 47 -9.140 -6.081 -11.426 372 H GLY 48 H GLY 48 -10.237 1.323 -8.928 373 HA2 GLY 48 HA2 GLY 48 -11.564 1.671 -11.600 374 HA3 GLY 48 HA3 GLY 48 -12.365 1.997 -10.068 375 H CYS 49 H CYS 49 -9.382 3.094 -9.311 376 HA CYS 49 HA CYS 49 -10.182 5.835 -9.770 377 HB2 CYS 49 HB2 CYS 49 -8.710 4.667 -7.863 378 HB3 CYS 49 HB3 CYS 49 -7.392 5.140 -8.973 379 H LYS 50 H LYS 50 -10.245 6.513 -11.913 380 HA LYS 50 HA LYS 50 -8.256 5.665 -13.829 381 HB2 LYS 50 HB2 LYS 50 -10.630 6.659 -14.304 382 HB3 LYS 50 HB3 LYS 50 -9.883 8.224 -14.057 383 HG2 LYS 50 HG2 LYS 50 -9.911 7.819 -16.415 384 HG3 LYS 50 HG3 LYS 50 -8.228 7.637 -15.936 385 HD2 LYS 50 HD2 LYS 50 -8.566 5.141 -15.923 386 HD3 LYS 50 HD3 LYS 50 -10.254 5.430 -16.387 387 HE2 LYS 50 HE2 LYS 50 -9.560 6.443 -18.489 388 HE3 LYS 50 HE3 LYS 50 -7.846 6.215 -18.085 389 HZ1 LYS 50 HZ1 LYS 50 -9.769 3.978 -18.199 390 HZ2 LYS 50 HZ2 LYS 50 -8.142 3.869 -18.224 391 HZ3 LYS 50 HZ3 LYS 50 -8.944 4.458 -19.532 392 H ARG 51 H ARG 51 -8.131 7.984 -11.266 393 HA ARG 51 HA ARG 51 -6.360 9.849 -12.329 394 HB2 ARG 51 HB2 ARG 51 -7.468 9.250 -9.778 395 HB3 ARG 51 HB3 ARG 51 -5.734 9.322 -9.555 396 HG2 ARG 51 HG2 ARG 51 -7.337 11.533 -10.869 397 HG3 ARG 51 HG3 ARG 51 -6.903 11.447 -9.154 398 HD2 ARG 51 HD2 ARG 51 -4.509 11.363 -9.755 399 HD3 ARG 51 HD3 ARG 51 -4.921 11.568 -11.464 400 HE ARG 51 HE ARG 51 -6.085 13.700 -10.694 401 HH11 ARG 51 HH11 ARG 51 -2.960 12.535 -9.318 402 HH12 ARG 51 HH12 ARG 51 -2.313 14.128 -9.178 403 HH21 ARG 51 HH21 ARG 51 -5.389 15.750 -9.941 404 HH22 ARG 51 HH22 ARG 51 -3.766 16.023 -9.465 405 H LYS 52 H LYS 52 -5.582 6.486 -11.154 406 HA LYS 52 HA LYS 52 -2.766 6.915 -11.099 407 HB2 LYS 52 HB2 LYS 52 -3.950 5.023 -10.084 408 HB3 LYS 52 HB3 LYS 52 -4.351 4.390 -11.687 409 HG2 LYS 52 HG2 LYS 52 -1.816 4.148 -12.070 410 HG3 LYS 52 HG3 LYS 52 -1.611 4.625 -10.372 411 HD2 LYS 52 HD2 LYS 52 -3.304 2.740 -9.859 412 HD3 LYS 52 HD3 LYS 52 -3.019 2.163 -11.494 413 HE2 LYS 52 HE2 LYS 52 -0.895 2.526 -9.319 414 HE3 LYS 52 HE3 LYS 52 -1.698 0.997 -9.688 415 HZ1 LYS 52 HZ1 LYS 52 0.463 1.167 -10.661 416 HZ2 LYS 52 HZ2 LYS 52 0.059 2.498 -11.525 417 HZ3 LYS 52 HZ3 LYS 52 -0.653 1.015 -11.853 418 H THR 53 H THR 53 -5.052 6.313 -13.725 419 HA THR 53 HA THR 53 -3.072 5.660 -15.734 420 HB THR 53 HB THR 53 -5.821 6.806 -16.310 421 HG1 THR 53 HG1 THR 53 -5.293 4.491 -14.870 422 HG21 THR 53 HG21 THR 53 -5.796 5.035 -18.052 423 HG22 THR 53 HG22 THR 53 -4.179 4.540 -17.511 424 HG23 THR 53 HG23 THR 53 -4.425 6.152 -18.201 425 H ASN 54 H ASN 54 -4.872 8.565 -14.654 426 HA ASN 54 HA ASN 54 -3.815 10.408 -16.542 427 HB2 ASN 54 HB2 ASN 54 -5.806 10.859 -15.152 428 HB3 ASN 54 HB3 ASN 54 -4.810 10.882 -13.699 429 HD21 ASN 54 HD21 ASN 54 -6.240 12.892 -16.015 430 HD22 ASN 54 HD22 ASN 54 -5.203 14.281 -15.797 431 H GLY 55 H GLY 55 -2.656 9.522 -13.250 432 HA2 GLY 55 HA2 GLY 55 0.102 9.810 -13.870 433 HA3 GLY 55 HA3 GLY 55 -0.475 11.322 -13.157 434 H GLY 56 H GLY 56 -2.420 9.815 -11.347 435 HA2 GLY 56 HA2 GLY 56 -1.584 7.909 -9.698 436 HA3 GLY 56 HA3 GLY 56 -0.429 9.164 -9.273 437 H CYS 57 H CYS 57 -3.294 7.861 -8.330 438 HA CYS 57 HA CYS 57 -4.912 10.133 -7.630 439 HB2 CYS 57 HB2 CYS 57 -5.001 7.551 -6.110 440 HB3 CYS 57 HB3 CYS 57 -6.337 8.479 -6.834 441 HA PRO 58 HA PRO 58 -2.739 11.087 -3.903 442 HB2 PRO 58 HB2 PRO 58 -4.631 11.440 -1.892 443 HB3 PRO 58 HB3 PRO 58 -4.323 12.613 -3.215 444 HG2 PRO 58 HG2 PRO 58 -6.453 10.463 -3.088 445 HG3 PRO 58 HG3 PRO 58 -6.649 12.187 -3.545 446 HD2 PRO 58 HD2 PRO 58 -6.415 10.274 -5.445 447 HD3 PRO 58 HD3 PRO 58 -5.570 11.840 -5.646 448 H ILE 59 H ILE 59 -5.404 8.817 -2.955 449 HA ILE 59 HA ILE 59 -4.092 7.410 -0.990 450 HB ILE 59 HB ILE 59 -6.126 6.449 -3.044 451 HG12 ILE 59 HG12 ILE 59 -6.682 7.030 -0.123 452 HG13 ILE 59 HG13 ILE 59 -6.666 8.343 -1.295 453 HG21 ILE 59 HG21 ILE 59 -5.252 5.031 -0.480 454 HG22 ILE 59 HG22 ILE 59 -6.667 4.574 -1.442 455 HG23 ILE 59 HG23 ILE 59 -5.066 4.424 -2.136 456 HD11 ILE 59 HD11 ILE 59 -8.405 5.863 -1.633 457 HD12 ILE 59 HD12 ILE 59 -8.882 7.343 -0.816 458 HD13 ILE 59 HD13 ILE 59 -8.465 7.394 -2.544 459 H CYS 60 H CYS 60 -4.367 6.369 -4.426 460 HA CYS 60 HA CYS 60 -2.669 4.201 -4.318 461 HB2 CYS 60 HB2 CYS 60 -3.125 6.045 -6.694 462 HB3 CYS 60 HB3 CYS 60 -2.636 4.358 -6.738 463 H LYS 61 H LYS 61 -1.691 7.642 -4.828 464 HA LYS 61 HA LYS 61 1.057 6.988 -5.393 465 HB2 LYS 61 HB2 LYS 61 -0.333 9.509 -4.435 466 HB3 LYS 61 HB3 LYS 61 1.430 9.415 -4.571 467 HG2 LYS 61 HG2 LYS 61 1.295 8.890 -6.956 468 HG3 LYS 61 HG3 LYS 61 -0.449 8.818 -6.885 469 HD2 LYS 61 HD2 LYS 61 0.068 10.987 -7.771 470 HD3 LYS 61 HD3 LYS 61 -0.485 11.226 -6.139 471 HE2 LYS 61 HE2 LYS 61 1.437 12.641 -6.460 472 HE3 LYS 61 HE3 LYS 61 1.923 11.334 -5.375 473 HZ1 LYS 61 HZ1 LYS 61 3.585 11.732 -7.043 474 HZ2 LYS 61 HZ2 LYS 61 2.535 11.527 -8.268 475 HZ3 LYS 61 HZ3 LYS 61 2.956 10.246 -7.329 476 H GLN 62 H GLN 62 -0.600 7.936 -2.290 477 HA GLN 62 HA GLN 62 1.867 7.768 -0.819 478 HB2 GLN 62 HB2 GLN 62 -0.838 7.186 0.420 479 HB3 GLN 62 HB3 GLN 62 0.614 7.811 1.174 480 HG2 GLN 62 HG2 GLN 62 -1.456 9.243 -0.445 481 HG3 GLN 62 HG3 GLN 62 -0.824 9.630 1.119 482 HE21 GLN 62 HE21 GLN 62 1.156 10.892 1.275 483 HE22 GLN 62 HE22 GLN 62 1.698 11.810 -0.116 484 H LEU 63 H LEU 63 -0.517 5.352 -1.796 485 HA LEU 63 HA LEU 63 0.454 3.230 -0.186 486 HB2 LEU 63 HB2 LEU 63 -1.819 3.480 -1.261 487 HB3 LEU 63 HB3 LEU 63 -1.065 3.089 -2.810 488 HG LEU 63 HG LEU 63 -0.348 0.866 -1.848 489 HD11 LEU 63 HD11 LEU 63 -2.011 1.842 0.524 490 HD12 LEU 63 HD12 LEU 63 -0.306 1.323 0.548 491 HD13 LEU 63 HD13 LEU 63 -1.579 0.145 0.242 492 HD21 LEU 63 HD21 LEU 63 -2.396 1.207 -3.177 493 HD22 LEU 63 HD22 LEU 63 -3.329 1.455 -1.688 494 HD23 LEU 63 HD23 LEU 63 -2.537 -0.108 -1.993 495 H ILE 64 H ILE 64 1.419 4.204 -3.516 496 HA ILE 64 HA ILE 64 2.752 1.863 -4.322 497 HB ILE 64 HB ILE 64 3.211 4.794 -4.863 498 HG12 ILE 64 HG12 ILE 64 2.398 2.661 -6.863 499 HG13 ILE 64 HG13 ILE 64 1.241 3.560 -5.904 500 HG21 ILE 64 HG21 ILE 64 4.840 4.242 -6.649 501 HG22 ILE 64 HG22 ILE 64 5.450 3.751 -5.107 502 HG23 ILE 64 HG23 ILE 64 4.726 2.534 -6.214 503 HD11 ILE 64 HD11 ILE 64 2.355 5.718 -6.752 504 HD12 ILE 64 HD12 ILE 64 3.203 4.711 -7.924 505 HD13 ILE 64 HD13 ILE 64 1.429 4.777 -7.955 506 H ALA 65 H ALA 65 3.789 4.370 -2.059 507 HA ALA 65 HA ALA 65 6.495 3.801 -1.800 508 HB1 ALA 65 HB1 ALA 65 6.272 4.864 0.382 509 HB2 ALA 65 HB2 ALA 65 5.226 5.704 -0.777 510 HB3 ALA 65 HB3 ALA 65 4.532 4.569 0.408 511 H LEU 66 H LEU 66 3.696 2.144 -0.305 512 HA LEU 66 HA LEU 66 5.281 0.450 1.470 513 HB2 LEU 66 HB2 LEU 66 2.380 0.901 0.841 514 HB3 LEU 66 HB3 LEU 66 2.808 -0.724 1.357 515 HG LEU 66 HG LEU 66 3.722 -0.072 3.361 516 HD11 LEU 66 HD11 LEU 66 4.825 2.053 2.904 517 HD12 LEU 66 HD12 LEU 66 3.706 2.260 4.227 518 HD13 LEU 66 HD13 LEU 66 3.268 2.835 2.591 519 HD21 LEU 66 HD21 LEU 66 1.061 1.255 2.831 520 HD22 LEU 66 HD22 LEU 66 1.687 0.788 4.443 521 HD23 LEU 66 HD23 LEU 66 1.342 -0.444 3.232 522 H ALA 67 H ALA 67 3.896 0.202 -1.768 523 HA ALA 67 HA ALA 67 4.148 -2.586 -2.087 524 HB1 ALA 67 HB1 ALA 67 4.040 -2.169 -4.461 525 HB2 ALA 67 HB2 ALA 67 2.957 -1.014 -3.637 526 HB3 ALA 67 HB3 ALA 67 4.527 -0.478 -4.269 527 H ALA 68 H ALA 68 6.572 -0.005 -2.897 528 HA ALA 68 HA ALA 68 8.599 -1.851 -3.752 529 HB1 ALA 68 HB1 ALA 68 10.172 0.108 -3.247 530 HB2 ALA 68 HB2 ALA 68 8.937 0.375 -4.453 531 HB3 ALA 68 HB3 ALA 68 8.731 1.041 -2.803 532 H TYR 69 H TYR 69 7.807 -0.395 -0.603 533 HA TYR 69 HA TYR 69 10.099 -1.254 0.863 534 HB2 TYR 69 HB2 TYR 69 8.647 0.415 1.796 535 HB3 TYR 69 HB3 TYR 69 7.238 -0.619 1.677 536 HD1 TYR 69 HD1 TYR 69 9.982 0.391 3.865 537 HD2 TYR 69 HD2 TYR 69 7.032 -2.665 3.083 538 HE1 TYR 69 HE1 TYR 69 10.416 -0.594 6.078 539 HE2 TYR 69 HE2 TYR 69 7.458 -3.682 5.237 540 HH TYR 69 HH TYR 69 9.880 -3.593 6.999 541 H HIS 70 H HIS 70 6.880 -2.859 0.265 542 HA HIS 70 HA HIS 70 7.722 -5.203 1.753 543 HB2 HIS 70 HB2 HIS 70 5.514 -5.097 1.816 544 HB3 HIS 70 HB3 HIS 70 5.327 -4.369 0.213 545 HD1 HIS 70 HD1 HIS 70 4.890 -7.725 1.887 546 HD2 HIS 70 HD2 HIS 70 5.579 -6.075 -1.932 547 HE1 HIS 70 HE1 HIS 70 4.234 -9.488 0.188 548 H ALA 71 H ALA 71 7.833 -4.287 -1.753 549 HA ALA 71 HA ALA 71 8.605 -6.812 -2.689 550 HB1 ALA 71 HB1 ALA 71 9.478 -4.089 -3.746 551 HB2 ALA 71 HB2 ALA 71 9.536 -5.616 -4.631 552 HB3 ALA 71 HB3 ALA 71 7.977 -4.912 -4.182 553 H LYS 72 H LYS 72 10.668 -4.410 -1.024 554 HA LYS 72 HA LYS 72 13.120 -5.761 -1.888 555 HB2 LYS 72 HB2 LYS 72 14.299 -4.351 -0.282 556 HB3 LYS 72 HB3 LYS 72 13.230 -3.374 -1.282 557 HG2 LYS 72 HG2 LYS 72 11.823 -2.853 0.471 558 HG3 LYS 72 HG3 LYS 72 12.104 -4.369 1.312 559 HD2 LYS 72 HD2 LYS 72 12.958 -2.632 2.642 560 HD3 LYS 72 HD3 LYS 72 14.297 -3.613 2.038 561 HE2 LYS 72 HE2 LYS 72 14.595 -1.789 0.237 562 HE3 LYS 72 HE3 LYS 72 13.409 -0.830 1.160 563 HZ1 LYS 72 HZ1 LYS 72 14.857 -0.864 3.024 564 HZ2 LYS 72 HZ2 LYS 72 15.799 -0.416 1.720 565 HZ3 LYS 72 HZ3 LYS 72 15.892 -1.938 2.313 566 H HIS 73 H HIS 73 10.696 -6.759 0.161 567 HA HIS 73 HA HIS 73 12.439 -8.518 1.770 568 HB2 HIS 73 HB2 HIS 73 9.784 -7.301 2.613 569 HB3 HIS 73 HB3 HIS 73 10.847 -8.309 3.592 570 HD1 HIS 73 HD1 HIS 73 9.806 -5.094 3.973 571 HD2 HIS 73 HD2 HIS 73 13.614 -6.648 3.098 572 HE1 HIS 73 HE1 HIS 73 11.489 -3.448 4.933 573 H CYS 74 H CYS 74 10.357 -8.391 -0.777 574 HA CYS 74 HA CYS 74 9.126 -11.023 -0.380 575 HB2 CYS 74 HB2 CYS 74 7.410 -9.071 0.094 576 HB3 CYS 74 HB3 CYS 74 7.717 -8.579 -1.535 577 H GLN 75 H GLN 75 10.403 -12.004 -1.860 578 HA GLN 75 HA GLN 75 10.117 -11.109 -4.661 579 HB2 GLN 75 HB2 GLN 75 12.531 -11.719 -5.058 580 HB3 GLN 75 HB3 GLN 75 12.223 -10.151 -4.330 581 HG2 GLN 75 HG2 GLN 75 13.085 -12.596 -2.741 582 HG3 GLN 75 HG3 GLN 75 14.197 -11.422 -3.439 583 HE21 GLN 75 HE21 GLN 75 12.684 -12.265 -0.633 584 HE22 GLN 75 HE22 GLN 75 12.930 -10.709 0.157 585 H GLU 76 H GLU 76 8.554 -12.644 -4.731 586 HA GLU 76 HA GLU 76 9.491 -15.428 -4.703 587 HB2 GLU 76 HB2 GLU 76 7.351 -16.108 -3.737 588 HB3 GLU 76 HB3 GLU 76 8.460 -15.308 -2.637 589 HG2 GLU 76 HG2 GLU 76 7.137 -13.225 -2.775 590 HG3 GLU 76 HG3 GLU 76 6.009 -14.009 -3.877 591 H ASN 77 H ASN 77 8.233 -16.798 -6.124 592 HA ASN 77 HA ASN 77 7.834 -15.527 -8.634 593 HB2 ASN 77 HB2 ASN 77 7.035 -17.610 -9.487 594 HB3 ASN 77 HB3 ASN 77 8.449 -17.883 -8.479 595 HD21 ASN 77 HD21 ASN 77 8.219 -19.508 -6.829 596 HD22 ASN 77 HD22 ASN 77 6.624 -20.013 -6.280 597 H LYS 78 H LYS 78 5.396 -16.350 -6.068 598 HA LYS 78 HA LYS 78 3.422 -14.817 -7.683 599 HB2 LYS 78 HB2 LYS 78 3.305 -17.484 -6.436 600 HB3 LYS 78 HB3 LYS 78 1.991 -16.467 -5.927 601 HG2 LYS 78 HG2 LYS 78 1.147 -17.542 -7.783 602 HG3 LYS 78 HG3 LYS 78 1.531 -15.925 -8.362 603 HD2 LYS 78 HD2 LYS 78 3.717 -16.900 -9.278 604 HD3 LYS 78 HD3 LYS 78 3.135 -18.482 -8.769 605 HE2 LYS 78 HE2 LYS 78 2.870 -18.086 -11.167 606 HE3 LYS 78 HE3 LYS 78 1.346 -18.462 -10.357 607 HZ1 LYS 78 HZ1 LYS 78 0.640 -16.296 -10.559 608 HZ2 LYS 78 HZ2 LYS 78 1.380 -16.571 -12.007 609 HZ3 LYS 78 HZ3 LYS 78 2.149 -15.670 -10.867 610 H CYS 79 H CYS 79 4.775 -13.089 -6.607 611 HA CYS 79 HA CYS 79 4.523 -12.250 -4.058 612 HB2 CYS 79 HB2 CYS 79 4.768 -10.871 -6.680 613 HB3 CYS 79 HB3 CYS 79 4.032 -9.875 -5.458 614 HA PRO 80 HA PRO 80 0.061 -12.191 -3.663 615 HB2 PRO 80 HB2 PRO 80 -0.196 -11.183 -1.104 616 HB3 PRO 80 HB3 PRO 80 0.297 -12.857 -1.497 617 HG2 PRO 80 HG2 PRO 80 2.086 -10.515 -0.820 618 HG3 PRO 80 HG3 PRO 80 2.152 -12.190 -0.186 619 HD2 PRO 80 HD2 PRO 80 3.755 -11.340 -2.217 620 HD3 PRO 80 HD3 PRO 80 3.105 -13.003 -2.184 621 H VAL 81 H VAL 81 1.834 -9.149 -2.683 622 HA VAL 81 HA VAL 81 -0.465 -7.508 -2.951 623 HB VAL 81 HB VAL 81 2.507 -6.896 -2.839 624 HG11 VAL 81 HG11 VAL 81 1.860 -4.617 -2.135 625 HG12 VAL 81 HG12 VAL 81 1.395 -4.950 -3.808 626 HG13 VAL 81 HG13 VAL 81 0.165 -4.986 -2.533 627 HG21 VAL 81 HG21 VAL 81 0.339 -7.049 -0.743 628 HG22 VAL 81 HG22 VAL 81 1.815 -8.009 -0.857 629 HG23 VAL 81 HG23 VAL 81 1.933 -6.297 -0.464 630 HA PRO 82 HA PRO 82 -0.388 -7.318 -7.402 631 HB2 PRO 82 HB2 PRO 82 -2.180 -5.319 -7.896 632 HB3 PRO 82 HB3 PRO 82 -2.646 -6.936 -7.306 633 HG2 PRO 82 HG2 PRO 82 -2.272 -4.403 -5.700 634 HG3 PRO 82 HG3 PRO 82 -3.624 -5.575 -5.621 635 HD2 PRO 82 HD2 PRO 82 -1.535 -5.651 -3.860 636 HD3 PRO 82 HD3 PRO 82 -2.337 -7.140 -4.435 637 H PHE 83 H PHE 83 0.147 -4.242 -5.544 638 HA PHE 83 HA PHE 83 1.328 -2.920 -7.846 639 HB2 PHE 83 HB2 PHE 83 1.301 -2.358 -4.865 640 HB3 PHE 83 HB3 PHE 83 2.315 -1.453 -5.983 641 HD1 PHE 83 HD1 PHE 83 -0.859 -2.271 -7.573 642 HD2 PHE 83 HD2 PHE 83 1.119 0.456 -4.869 643 HE1 PHE 83 HE1 PHE 83 -2.542 -0.567 -8.054 644 HE2 PHE 83 HE2 PHE 83 -0.554 2.186 -5.379 645 HZ PHE 83 HZ PHE 83 -2.420 1.688 -6.967 646 H CYS 84 H CYS 84 2.707 -4.914 -5.150 647 HA CYS 84 HA CYS 84 5.405 -4.212 -5.771 648 HB2 CYS 84 HB2 CYS 84 6.022 -5.601 -4.111 649 HB3 CYS 84 HB3 CYS 84 4.382 -5.193 -3.588 650 H LEU 85 H LEU 85 3.238 -6.709 -6.837 651 HA LEU 85 HA LEU 85 4.921 -8.438 -8.162 652 HB2 LEU 85 HB2 LEU 85 2.479 -8.703 -7.805 653 HB3 LEU 85 HB3 LEU 85 2.164 -7.486 -9.037 654 HG LEU 85 HG LEU 85 3.185 -8.984 -10.763 655 HD11 LEU 85 HD11 LEU 85 3.375 -10.920 -8.406 656 HD12 LEU 85 HD12 LEU 85 4.719 -10.324 -9.417 657 HD13 LEU 85 HD13 LEU 85 3.490 -11.392 -10.108 658 HD21 LEU 85 HD21 LEU 85 1.002 -10.288 -9.082 659 HD22 LEU 85 HD22 LEU 85 1.338 -10.591 -10.810 660 HD23 LEU 85 HD23 LEU 85 0.748 -9.003 -10.294 661 H ASN 86 H ASN 86 3.998 -5.210 -9.125 662 HA ASN 86 HA ASN 86 5.031 -5.363 -11.873 663 HB2 ASN 86 HB2 ASN 86 3.221 -3.806 -11.341 664 HB3 ASN 86 HB3 ASN 86 4.232 -2.986 -10.151 665 HD21 ASN 86 HD21 ASN 86 3.263 -1.203 -11.758 666 HD22 ASN 86 HD22 ASN 86 4.397 -0.725 -12.995 667 H ILE 87 H ILE 87 6.107 -3.937 -8.727 668 HA ILE 87 HA ILE 87 8.571 -2.883 -9.603 669 HB ILE 87 HB ILE 87 7.628 -3.860 -6.870 670 HG12 ILE 87 HG12 ILE 87 8.294 -1.344 -6.389 671 HG13 ILE 87 HG13 ILE 87 8.219 -1.156 -8.137 672 HG21 ILE 87 HG21 ILE 87 9.982 -4.404 -6.815 673 HG22 ILE 87 HG22 ILE 87 10.406 -2.840 -7.536 674 HG23 ILE 87 HG23 ILE 87 9.738 -2.935 -5.896 675 HD11 ILE 87 HD11 ILE 87 6.001 -2.069 -6.257 676 HD12 ILE 87 HD12 ILE 87 6.131 -0.491 -7.049 677 HD13 ILE 87 HD13 ILE 87 5.851 -1.933 -8.038 678 H LYS 88 H LYS 88 7.806 -6.273 -8.511 679 HA LYS 88 HA LYS 88 10.350 -7.291 -8.460 680 HB2 LYS 88 HB2 LYS 88 8.125 -8.449 -7.960 681 HB3 LYS 88 HB3 LYS 88 7.930 -8.662 -9.682 682 HG2 LYS 88 HG2 LYS 88 10.516 -9.650 -9.310 683 HG3 LYS 88 HG3 LYS 88 9.768 -10.095 -7.793 684 HD2 LYS 88 HD2 LYS 88 8.561 -10.658 -10.520 685 HD3 LYS 88 HD3 LYS 88 9.663 -11.768 -9.680 686 HE2 LYS 88 HE2 LYS 88 8.134 -11.890 -7.765 687 HE3 LYS 88 HE3 LYS 88 6.982 -10.814 -8.560 688 HZ1 LYS 88 HZ1 LYS 88 7.882 -13.262 -9.911 689 HZ2 LYS 88 HZ2 LYS 88 6.467 -12.500 -10.122 690 HZ3 LYS 88 HZ3 LYS 88 6.725 -13.364 -8.744 691 H GLN 89 H GLN 89 8.272 -6.942 -11.371 692 HA GLN 89 HA GLN 89 10.089 -8.175 -13.173 693 HB2 GLN 89 HB2 GLN 89 8.234 -5.958 -14.047 694 HB3 GLN 89 HB3 GLN 89 8.728 -7.410 -14.912 695 HG2 GLN 89 HG2 GLN 89 6.730 -7.159 -12.648 696 HG3 GLN 89 HG3 GLN 89 6.400 -7.578 -14.313 697 HE21 GLN 89 HE21 GLN 89 6.021 -8.980 -11.586 698 HE22 GLN 89 HE22 GLN 89 6.469 -10.632 -12.039 699 H LYS 90 H LYS 90 10.329 -5.120 -11.618 700 HA LYS 90 HA LYS 90 12.291 -4.052 -13.584 701 HB2 LYS 90 HB2 LYS 90 10.594 -2.580 -11.528 702 HB3 LYS 90 HB3 LYS 90 11.676 -1.853 -12.714 703 HG2 LYS 90 HG2 LYS 90 10.240 -2.732 -14.560 704 HG3 LYS 90 HG3 LYS 90 9.155 -3.446 -13.366 705 HD2 LYS 90 HD2 LYS 90 8.102 -1.480 -14.016 706 HD3 LYS 90 HD3 LYS 90 8.769 -1.130 -12.418 707 HE2 LYS 90 HE2 LYS 90 10.607 0.116 -13.394 708 HE3 LYS 90 HE3 LYS 90 10.197 -0.447 -15.018 709 HZ1 LYS 90 HZ1 LYS 90 8.257 0.903 -15.016 710 HZ2 LYS 90 HZ2 LYS 90 9.502 1.843 -14.567 711 HZ3 LYS 90 HZ3 LYS 90 8.418 1.313 -13.434 712 H GLY 91 H GLY 91 12.238 -5.785 -10.754 713 HA2 GLY 91 HA2 GLY 91 13.637 -4.542 -8.797 714 HA3 GLY 91 HA3 GLY 91 13.756 -6.257 -9.171 715 H THR 92 H THR 92 15.102 -5.616 -11.844 716 HA THR 92 HA THR 92 17.768 -5.715 -10.932 717 HB THR 92 HB THR 92 17.016 -6.790 -12.961 718 HG1 THR 92 HG1 THR 92 19.032 -4.847 -13.183 719 HG21 THR 92 HG21 THR 92 15.414 -5.159 -13.865 720 HG22 THR 92 HG22 THR 92 16.656 -5.556 -15.054 721 HG23 THR 92 HG23 THR 92 16.735 -4.008 -14.186 722 H ILE 93 H ILE 93 15.915 -2.921 -10.875 723 HA ILE 93 HA ILE 93 17.707 -0.967 -11.934 724 HB ILE 93 HB ILE 93 15.398 -0.966 -9.981 725 HG12 ILE 93 HG12 ILE 93 15.702 0.376 -12.702 726 HG13 ILE 93 HG13 ILE 93 15.190 -1.293 -12.535 727 HG21 ILE 93 HG21 ILE 93 15.370 1.542 -10.073 728 HG22 ILE 93 HG22 ILE 93 16.724 0.900 -9.164 729 HG23 ILE 93 HG23 ILE 93 16.978 1.496 -10.821 730 HD11 ILE 93 HD11 ILE 93 13.705 1.158 -11.520 731 HD12 ILE 93 HD12 ILE 93 13.203 -0.034 -12.729 732 HD13 ILE 93 HD13 ILE 93 13.302 -0.509 -11.037 733 H GLU 94 H GLU 94 17.979 -2.882 -9.115 734 HA GLU 94 HA GLU 94 19.051 -1.992 -7.021 735 HB2 GLU 94 HB2 GLU 94 20.476 -3.824 -8.938 736 HB3 GLU 94 HB3 GLU 94 21.170 -3.469 -7.375 737 HG2 GLU 94 HG2 GLU 94 18.447 -4.729 -7.852 738 HG3 GLU 94 HG3 GLU 94 19.911 -5.535 -7.265 739 H GLY 95 H GLY 95 19.729 -0.006 -6.564 740 HA2 GLY 95 HA2 GLY 95 22.368 0.742 -6.685 741 HA3 GLY 95 HA3 GLY 95 21.699 1.389 -8.191 742 H ARG 96 H ARG 96 19.147 2.316 -7.443 743 HA ARG 96 HA ARG 96 19.957 4.541 -5.689 744 HB2 ARG 96 HB2 ARG 96 19.017 5.029 -7.893 745 HB3 ARG 96 HB3 ARG 96 17.514 4.216 -7.455 746 HG2 ARG 96 HG2 ARG 96 17.407 6.699 -7.392 747 HG3 ARG 96 HG3 ARG 96 16.939 5.929 -5.884 748 HD2 ARG 96 HD2 ARG 96 19.311 6.437 -5.041 749 HD3 ARG 96 HD3 ARG 96 19.536 7.394 -6.505 750 HE ARG 96 HE ARG 96 17.182 8.296 -5.271 751 HH11 ARG 96 HH11 ARG 96 20.664 8.183 -4.624 752 HH12 ARG 96 HH12 ARG 96 20.703 9.495 -3.517 753 HH21 ARG 96 HH21 ARG 96 17.206 10.151 -3.736 754 HH22 ARG 96 HH22 ARG 96 18.673 10.467 -2.865 755 H GLY 97 H GLY 97 18.684 1.551 -4.944 756 HA2 GLY 97 HA2 GLY 97 17.859 0.899 -2.900 757 HA3 GLY 97 HA3 GLY 97 17.756 2.592 -2.400 758 H ASN 98 H ASN 98 15.720 1.200 -1.605 759 HA ASN 98 HA ASN 98 13.437 1.993 -3.357 760 HB2 ASN 98 HB2 ASN 98 13.763 -0.634 -1.833 761 HB3 ASN 98 HB3 ASN 98 12.293 -0.106 -2.647 762 HD21 ASN 98 HD21 ASN 98 12.940 0.750 -5.124 763 HD22 ASN 98 HD22 ASN 98 13.900 -0.455 -5.964 764 H GLU 99 H GLU 99 14.137 3.814 -1.693 765 HA GLU 99 HA GLU 99 12.666 3.436 0.854 766 HB2 GLU 99 HB2 GLU 99 14.962 5.356 0.330 767 HB3 GLU 99 HB3 GLU 99 14.093 5.022 1.839 768 HG2 GLU 99 HG2 GLU 99 14.958 2.619 1.637 769 HG3 GLU 99 HG3 GLU 99 16.014 3.211 0.378 770 H PHE 100 H PHE 100 10.720 4.396 0.582 771 HA PHE 100 HA PHE 100 10.505 6.896 -1.033 772 HB2 PHE 100 HB2 PHE 100 9.318 4.745 -1.836 773 HB3 PHE 100 HB3 PHE 100 8.267 4.942 -0.450 774 HD1 PHE 100 HD1 PHE 100 8.415 5.474 -3.903 775 HD2 PHE 100 HD2 PHE 100 7.222 7.586 -0.291 776 HE1 PHE 100 HE1 PHE 100 7.393 7.206 -5.221 777 HE2 PHE 100 HE2 PHE 100 6.210 9.325 -1.688 778 HZ PHE 100 HZ PHE 100 6.306 9.187 -4.162 779 H LEU 101 H LEU 101 9.398 8.605 0.002 780 HA LEU 101 HA LEU 101 8.472 8.157 2.761 781 HB2 LEU 101 HB2 LEU 101 10.415 10.351 1.903 782 HB3 LEU 101 HB3 LEU 101 9.505 10.395 3.399 783 HG LEU 101 HG LEU 101 11.571 8.286 2.674 784 HD11 LEU 101 HD11 LEU 101 12.514 10.559 3.069 785 HD12 LEU 101 HD12 LEU 101 12.982 9.413 4.335 786 HD13 LEU 101 HD13 LEU 101 11.702 10.618 4.647 787 HD21 LEU 101 HD21 LEU 101 9.926 8.812 5.177 788 HD22 LEU 101 HD22 LEU 101 11.366 7.738 5.143 789 HD23 LEU 101 HD23 LEU 101 9.935 7.353 4.191 790 H SER 102 H SER 102 6.662 9.242 3.140 791 HA SER 102 HA SER 102 5.774 11.493 1.407 792 HB2 SER 102 HB2 SER 102 4.086 9.129 2.336 793 HB3 SER 102 HB3 SER 102 3.551 10.465 1.310 794 HG SER 102 HG SER 102 5.313 8.381 0.755 795 HA PRO 103 HA PRO 103 4.647 13.420 5.241 796 HB2 PRO 103 HB2 PRO 103 2.396 14.895 4.715 797 HB3 PRO 103 HB3 PRO 103 3.985 15.228 3.974 798 HG2 PRO 103 HG2 PRO 103 1.715 13.583 2.810 799 HG3 PRO 103 HG3 PRO 103 2.588 14.955 2.047 800 HD2 PRO 103 HD2 PRO 103 3.292 12.426 1.528 801 HD3 PRO 103 HD3 PRO 103 4.545 13.670 1.754 802 H GLU 104 H GLU 104 2.468 14.007 6.661 803 HA GLU 104 HA GLU 104 1.745 11.736 8.065 804 HB2 GLU 104 HB2 GLU 104 0.149 14.300 7.786 805 HB3 GLU 104 HB3 GLU 104 0.025 13.160 9.102 806 HG2 GLU 104 HG2 GLU 104 2.563 14.738 8.474 807 HG3 GLU 104 HG3 GLU 104 1.313 15.274 9.580 808 H VAL 105 H VAL 105 0.246 13.060 5.199 809 HA VAL 105 HA VAL 105 -2.309 12.115 5.204 810 HB VAL 105 HB VAL 105 -0.434 12.241 2.830 811 HG11 VAL 105 HG11 VAL 105 -2.498 12.683 1.523 812 HG12 VAL 105 HG12 VAL 105 -2.523 11.067 2.233 813 HG13 VAL 105 HG13 VAL 105 -3.482 12.370 2.969 814 HG21 VAL 105 HG21 VAL 105 -1.529 14.535 2.593 815 HG22 VAL 105 HG22 VAL 105 -2.194 14.323 4.217 816 HG23 VAL 105 HG23 VAL 105 -0.434 14.400 3.962 817 H PHE 106 H PHE 106 0.546 10.126 4.940 818 HA PHE 106 HA PHE 106 -0.357 7.765 3.819 819 HB2 PHE 106 HB2 PHE 106 1.955 8.101 4.569 820 HB3 PHE 106 HB3 PHE 106 1.437 8.255 6.246 821 HD1 PHE 106 HD1 PHE 106 0.974 5.790 3.427 822 HD2 PHE 106 HD2 PHE 106 1.942 6.370 7.598 823 HE1 PHE 106 HE1 PHE 106 1.299 3.388 3.686 824 HE2 PHE 106 HE2 PHE 106 2.269 3.929 7.853 825 HZ PHE 106 HZ PHE 106 1.971 2.416 5.879 826 H GLN 107 H GLN 107 -0.832 8.903 7.168 827 HA GLN 107 HA GLN 107 -2.304 6.537 7.980 828 HB2 GLN 107 HB2 GLN 107 -1.806 9.203 9.337 829 HB3 GLN 107 HB3 GLN 107 -2.532 7.777 10.102 830 HG2 GLN 107 HG2 GLN 107 -0.499 6.452 9.737 831 HG3 GLN 107 HG3 GLN 107 0.279 7.816 8.930 832 HE21 GLN 107 HE21 GLN 107 0.656 6.285 11.690 833 HE22 GLN 107 HE22 GLN 107 0.938 7.612 12.771 834 H HIS 108 H HIS 108 -3.171 9.553 6.436 835 HA HIS 108 HA HIS 108 -5.899 9.642 7.425 836 HB2 HIS 108 HB2 HIS 108 -4.664 10.855 4.916 837 HB3 HIS 108 HB3 HIS 108 -6.309 11.101 5.454 838 HD1 HIS 108 HD1 HIS 108 -6.593 13.325 6.642 839 HD2 HIS 108 HD2 HIS 108 -2.866 11.507 7.346 840 HE1 HIS 108 HE1 HIS 108 -5.256 14.945 8.094 841 H ILE 109 H ILE 109 -4.177 7.845 4.914 842 HA ILE 109 HA ILE 109 -6.500 6.999 3.423 843 HB ILE 109 HB ILE 109 -3.705 5.857 3.753 844 HG12 ILE 109 HG12 ILE 109 -3.644 6.261 1.221 845 HG13 ILE 109 HG13 ILE 109 -5.189 7.089 1.390 846 HG21 ILE 109 HG21 ILE 109 -5.141 3.896 3.411 847 HG22 ILE 109 HG22 ILE 109 -5.909 4.668 2.018 848 HG23 ILE 109 HG23 ILE 109 -4.195 4.203 1.972 849 HD11 ILE 109 HD11 ILE 109 -3.278 8.614 1.194 850 HD12 ILE 109 HD12 ILE 109 -4.130 8.836 2.722 851 HD13 ILE 109 HD13 ILE 109 -2.581 7.932 2.679 852 H TRP 110 H TRP 110 -4.601 5.636 6.192 853 HA TRP 110 HA TRP 110 -6.296 3.397 6.436 854 HB2 TRP 110 HB2 TRP 110 -4.584 4.533 8.656 855 HB3 TRP 110 HB3 TRP 110 -5.104 2.860 8.405 856 HD1 TRP 110 HD1 TRP 110 -2.046 4.475 8.344 857 HE1 TRP 110 HE1 TRP 110 -0.401 3.704 6.547 858 HE3 TRP 110 HE3 TRP 110 -5.293 1.895 5.336 859 HZ2 TRP 110 HZ2 TRP 110 -0.482 2.075 4.167 860 HZ3 TRP 110 HZ3 TRP 110 -4.488 0.740 3.346 861 HH2 TRP 110 HH2 TRP 110 -2.069 0.798 2.729 862 H ASP 111 H ASP 111 -6.563 6.625 7.857 863 HA ASP 111 HA ASP 111 -8.517 5.939 9.783 864 HB2 ASP 111 HB2 ASP 111 -7.371 8.117 9.777 865 HB3 ASP 111 HB3 ASP 111 -8.211 8.574 8.286 866 H PHE 112 H PHE 112 -8.954 6.840 6.344 867 HA PHE 112 HA PHE 112 -11.860 6.626 6.677 868 HB2 PHE 112 HB2 PHE 112 -12.164 7.606 4.714 869 HB3 PHE 112 HB3 PHE 112 -10.561 8.235 5.042 870 HD1 PHE 112 HD1 PHE 112 -12.607 5.954 2.976 871 HD2 PHE 112 HD2 PHE 112 -8.597 7.280 3.821 872 HE1 PHE 112 HE1 PHE 112 -11.769 4.667 1.056 873 HE2 PHE 112 HE2 PHE 112 -7.768 6.000 1.862 874 HZ PHE 112 HZ PHE 112 -9.356 4.688 0.460 875 H LEU 113 H LEU 113 -9.295 4.407 5.992 876 HA LEU 113 HA LEU 113 -10.609 2.578 4.362 877 HB2 LEU 113 HB2 LEU 113 -8.837 1.234 4.683 878 HB3 LEU 113 HB3 LEU 113 -8.164 2.604 5.510 879 HG LEU 113 HG LEU 113 -9.080 1.470 7.709 880 HD11 LEU 113 HD11 LEU 113 -8.960 -1.113 7.446 881 HD12 LEU 113 HD12 LEU 113 -9.273 -0.827 5.717 882 HD13 LEU 113 HD13 LEU 113 -10.436 -0.330 6.962 883 HD21 LEU 113 HD21 LEU 113 -7.092 -0.011 7.877 884 HD22 LEU 113 HD22 LEU 113 -6.745 1.608 7.372 885 HD23 LEU 113 HD23 LEU 113 -6.756 0.309 6.158 886 H GLU 114 H GLU 114 -10.923 3.052 7.867 887 HA GLU 114 HA GLU 114 -12.693 0.715 8.122 888 HB2 GLU 114 HB2 GLU 114 -11.805 2.765 10.183 889 HB3 GLU 114 HB3 GLU 114 -12.874 1.396 10.498 890 HG2 GLU 114 HG2 GLU 114 -10.855 0.037 9.316 891 HG3 GLU 114 HG3 GLU 114 -9.920 1.418 9.879 892 H GLN 115 H GLN 115 -13.129 4.014 7.371 893 HA GLN 115 HA GLN 115 -15.840 4.280 8.426 894 HB2 GLN 115 HB2 GLN 115 -14.167 5.835 6.382 895 HB3 GLN 115 HB3 GLN 115 -15.746 6.337 6.885 896 HG2 GLN 115 HG2 GLN 115 -15.001 6.590 9.219 897 HG3 GLN 115 HG3 GLN 115 -13.393 6.006 8.779 898 HE21 GLN 115 HE21 GLN 115 -12.064 7.832 8.958 899 HE22 GLN 115 HE22 GLN 115 -12.362 9.355 8.226 900 HA PRO 116 HA PRO 116 -17.837 2.394 4.905 901 HB2 PRO 116 HB2 PRO 116 -20.174 3.720 4.527 902 HB3 PRO 116 HB3 PRO 116 -19.805 2.857 6.047 903 HG2 PRO 116 HG2 PRO 116 -19.497 5.808 5.486 904 HG3 PRO 116 HG3 PRO 116 -20.315 5.020 6.874 905 HD2 PRO 116 HD2 PRO 116 -17.731 5.904 6.956 906 HD3 PRO 116 HD3 PRO 116 -18.281 4.489 7.894 907 H ILE 117 H ILE 117 -19.298 3.615 2.786 908 HA ILE 117 HA ILE 117 -17.201 4.256 0.990 909 HB ILE 117 HB ILE 117 -20.201 4.692 0.607 910 HG12 ILE 117 HG12 ILE 117 -20.018 2.413 -0.611 911 HG13 ILE 117 HG13 ILE 117 -18.556 2.138 0.331 912 HG21 ILE 117 HG21 ILE 117 -19.623 4.246 -1.802 913 HG22 ILE 117 HG22 ILE 117 -18.887 5.709 -1.174 914 HG23 ILE 117 HG23 ILE 117 -17.905 4.249 -1.352 915 HD11 ILE 117 HD11 ILE 117 -20.771 1.129 1.142 916 HD12 ILE 117 HD12 ILE 117 -19.847 1.993 2.364 917 HD13 ILE 117 HD13 ILE 117 -21.258 2.771 1.608 918 H SER 118 H SER 118 -16.642 6.182 -0.009 919 HA SER 118 HA SER 118 -17.802 8.745 0.792 920 HB2 SER 118 HB2 SER 118 -15.660 9.579 1.567 921 HB3 SER 118 HB3 SER 118 -16.085 8.153 2.509 922 HG SER 118 HG SER 118 -13.879 8.280 1.719 923 H SER 119 H SER 119 -15.869 10.386 -0.464 924 HA SER 119 HA SER 119 -15.451 9.323 -3.181 925 HB2 SER 119 HB2 SER 119 -17.000 11.865 -2.561 926 HB3 SER 119 HB3 SER 119 -16.262 11.480 -4.121 927 HG SER 119 HG SER 119 -18.220 9.950 -2.754 928 H VAL 120 H VAL 120 -13.470 9.138 -1.985 929 HA VAL 120 HA VAL 120 -11.972 11.483 -1.215 930 HB VAL 120 HB VAL 120 -11.910 9.528 0.081 931 HG11 VAL 120 HG11 VAL 120 -12.451 7.764 -1.509 932 HG12 VAL 120 HG12 VAL 120 -10.846 7.924 -2.251 933 HG13 VAL 120 HG13 VAL 120 -11.041 7.370 -0.563 934 HG21 VAL 120 HG21 VAL 120 -9.196 9.813 -1.221 935 HG22 VAL 120 HG22 VAL 120 -9.897 10.903 -0.010 936 HG23 VAL 120 HG23 VAL 120 -9.562 9.219 0.416 937 H GLN 121 H GLN 121 -12.560 12.310 -3.396 938 HA GLN 121 HA GLN 121 -10.887 11.467 -5.668 939 HB2 GLN 121 HB2 GLN 121 -12.227 13.056 -6.934 940 HB3 GLN 121 HB3 GLN 121 -13.287 12.059 -5.957 941 HG2 GLN 121 HG2 GLN 121 -13.395 13.968 -4.276 942 HG3 GLN 121 HG3 GLN 121 -12.499 14.952 -5.427 943 HE21 GLN 121 HE21 GLN 121 -15.515 14.613 -4.330 944 HE22 GLN 121 HE22 GLN 121 -16.469 14.791 -5.773 945 HA PRO 122 HA PRO 122 -7.782 14.471 -4.709 946 HB2 PRO 122 HB2 PRO 122 -6.828 15.364 -7.089 947 HB3 PRO 122 HB3 PRO 122 -6.657 13.661 -6.573 948 HG2 PRO 122 HG2 PRO 122 -8.792 14.834 -8.394 949 HG3 PRO 122 HG3 PRO 122 -7.765 13.411 -8.690 950 HD2 PRO 122 HD2 PRO 122 -10.279 13.198 -7.686 951 HD3 PRO 122 HD3 PRO 122 -8.979 12.104 -7.127 952 H ILE 123 H ILE 123 -8.797 16.171 -3.569 953 HA ILE 123 HA ILE 123 -10.294 18.217 -5.095 954 HB ILE 123 HB ILE 123 -10.797 19.260 -3.020 955 HG12 ILE 123 HG12 ILE 123 -10.206 18.065 -0.817 956 HG13 ILE 123 HG13 ILE 123 -8.850 17.339 -1.676 957 HG21 ILE 123 HG21 ILE 123 -12.117 17.297 -3.768 958 HG22 ILE 123 HG22 ILE 123 -11.143 16.248 -2.714 959 HG23 ILE 123 HG23 ILE 123 -12.151 17.522 -2.015 960 HD11 ILE 123 HD11 ILE 123 -8.408 19.487 -0.338 961 HD12 ILE 123 HD12 ILE 123 -7.840 19.509 -2.005 962 HD13 ILE 123 HD13 ILE 123 -9.341 20.359 -1.555 963 H ASP 124 H ASP 124 -9.400 20.681 -4.602 964 HA ASP 124 HA ASP 124 -6.726 20.549 -5.730 965 HB2 ASP 124 HB2 ASP 124 -8.214 22.255 -6.548 966 HB3 ASP 124 HB3 ASP 124 -8.329 22.975 -4.926 Start of MODEL 3 1 H1 ALA 1 H ALA 1 29.104 10.574 11.108 2 HA ALA 1 HA ALA 1 27.109 9.268 10.835 3 HB1 ALA 1 HB1 ALA 1 28.159 9.058 13.698 4 HB2 ALA 1 HB2 ALA 1 27.193 7.833 12.860 5 HB3 ALA 1 HB3 ALA 1 28.823 8.222 12.276 6 H THR 2 H THR 2 25.037 9.868 10.643 7 HA THR 2 HA THR 2 23.663 11.048 13.010 8 HB THR 2 HB THR 2 23.086 11.655 10.085 9 HG1 THR 2 HG1 THR 2 24.278 13.397 10.300 10 HG21 THR 2 HG21 THR 2 21.830 13.570 11.111 11 HG22 THR 2 HG22 THR 2 22.167 12.918 12.717 12 HG23 THR 2 HG23 THR 2 21.152 12.004 11.577 13 H GLN 3 H GLN 3 23.188 8.931 13.691 14 HA GLN 3 HA GLN 3 21.842 7.068 11.970 15 HB2 GLN 3 HB2 GLN 3 23.300 6.390 13.862 16 HB3 GLN 3 HB3 GLN 3 22.148 7.086 15.006 17 HG2 GLN 3 HG2 GLN 3 21.913 4.626 14.794 18 HG3 GLN 3 HG3 GLN 3 20.442 5.474 14.327 19 HE21 GLN 3 HE21 GLN 3 19.501 4.773 12.389 20 HE22 GLN 3 HE22 GLN 3 20.395 4.093 11.063 21 H SER 4 H SER 4 20.161 8.270 11.101 22 HA SER 4 HA SER 4 18.189 9.618 12.738 23 HB2 SER 4 HB2 SER 4 18.937 10.008 10.243 24 HB3 SER 4 HB3 SER 4 17.766 8.731 9.866 25 HG SER 4 HG SER 4 16.230 10.138 10.205 26 HA PRO 5 HA PRO 5 15.894 5.825 13.546 27 HB2 PRO 5 HB2 PRO 5 13.488 6.738 14.409 28 HB3 PRO 5 HB3 PRO 5 14.997 7.093 15.284 29 HG2 PRO 5 HG2 PRO 5 13.619 8.852 13.217 30 HG3 PRO 5 HG3 PRO 5 14.100 9.289 14.890 31 HD2 PRO 5 HD2 PRO 5 15.678 9.830 12.742 32 HD3 PRO 5 HD3 PRO 5 16.395 9.326 14.301 33 H GLY 6 H GLY 6 15.950 6.837 10.676 34 HA2 GLY 6 HA2 GLY 6 13.413 6.664 9.419 35 HA3 GLY 6 HA3 GLY 6 14.981 6.350 8.648 36 H ASP 7 H ASP 7 15.577 4.120 10.619 37 HA ASP 7 HA ASP 7 14.294 2.010 9.098 38 HB2 ASP 7 HB2 ASP 7 16.477 1.586 9.798 39 HB3 ASP 7 HB3 ASP 7 16.104 1.956 11.501 40 H SER 8 H SER 8 13.827 3.375 12.385 41 HA SER 8 HA SER 8 12.185 1.593 13.581 42 HB2 SER 8 HB2 SER 8 13.110 3.906 14.360 43 HB3 SER 8 HB3 SER 8 11.575 4.547 13.766 44 HG SER 8 HG SER 8 12.063 2.610 15.797 45 H ARG 9 H ARG 9 11.271 3.749 10.982 46 HA ARG 9 HA ARG 9 8.520 3.668 10.958 47 HB2 ARG 9 HB2 ARG 9 10.620 4.200 9.029 48 HB3 ARG 9 HB3 ARG 9 9.385 3.250 8.242 49 HG2 ARG 9 HG2 ARG 9 9.006 5.617 7.925 50 HG3 ARG 9 HG3 ARG 9 7.678 4.951 8.883 51 HD2 ARG 9 HD2 ARG 9 8.463 5.957 10.886 52 HD3 ARG 9 HD3 ARG 9 10.084 6.241 10.222 53 HE ARG 9 HE ARG 9 8.490 7.717 8.565 54 HH11 ARG 9 HH11 ARG 9 8.693 7.636 12.134 55 HH12 ARG 9 HH12 ARG 9 8.390 9.320 12.327 56 HH21 ARG 9 HH21 ARG 9 8.465 10.047 8.853 57 HH22 ARG 9 HH22 ARG 9 8.208 10.677 10.445 58 H ARG 10 H ARG 10 10.675 0.970 10.282 59 HA ARG 10 HA ARG 10 8.962 -0.727 8.845 60 HB2 ARG 10 HB2 ARG 10 10.317 -2.550 9.626 61 HB3 ARG 10 HB3 ARG 10 11.350 -1.168 9.268 62 HG2 ARG 10 HG2 ARG 10 11.423 -0.784 11.834 63 HG3 ARG 10 HG3 ARG 10 10.612 -2.353 11.976 64 HD2 ARG 10 HD2 ARG 10 12.466 -3.353 10.544 65 HD3 ARG 10 HD3 ARG 10 13.277 -1.790 10.622 66 HE ARG 10 HE ARG 10 12.620 -3.119 13.174 67 HH11 ARG 10 HH11 ARG 10 15.189 -2.257 10.928 68 HH12 ARG 10 HH12 ARG 10 16.433 -2.833 11.904 69 HH21 ARG 10 HH21 ARG 10 14.426 -3.310 14.667 70 HH22 ARG 10 HH22 ARG 10 16.025 -3.193 14.067 71 H LEU 11 H LEU 11 9.136 -0.273 12.432 72 HA LEU 11 HA LEU 11 7.338 -2.298 13.073 73 HB2 LEU 11 HB2 LEU 11 7.216 -1.397 15.235 74 HB3 LEU 11 HB3 LEU 11 8.816 -1.022 14.634 75 HG LEU 11 HG LEU 11 7.569 1.308 13.961 76 HD11 LEU 11 HD11 LEU 11 5.995 2.027 15.625 77 HD12 LEU 11 HD12 LEU 11 6.189 0.541 16.555 78 HD13 LEU 11 HD13 LEU 11 5.354 0.509 14.993 79 HD21 LEU 11 HD21 LEU 11 8.467 2.296 15.965 80 HD22 LEU 11 HD22 LEU 11 9.597 1.073 15.371 81 HD23 LEU 11 HD23 LEU 11 8.561 0.713 16.773 82 H SER 12 H SER 12 6.608 1.045 12.121 83 HA SER 12 HA SER 12 3.740 0.712 12.597 84 HB2 SER 12 HB2 SER 12 3.679 3.036 11.611 85 HB3 SER 12 HB3 SER 12 4.562 2.834 13.131 86 HG SER 12 HG SER 12 5.456 4.088 11.217 87 H ILE 13 H ILE 13 5.846 1.168 9.737 88 HA ILE 13 HA ILE 13 3.905 1.108 7.746 89 HB ILE 13 HB ILE 13 6.834 0.353 7.855 90 HG12 ILE 13 HG12 ILE 13 5.261 2.542 6.412 91 HG13 ILE 13 HG13 ILE 13 6.096 2.739 7.956 92 HG21 ILE 13 HG21 ILE 13 4.964 -0.073 5.552 93 HG22 ILE 13 HG22 ILE 13 6.707 0.211 5.295 94 HG23 ILE 13 HG23 ILE 13 6.164 -1.166 6.250 95 HD11 ILE 13 HD11 ILE 13 8.248 2.061 6.705 96 HD12 ILE 13 HD12 ILE 13 7.327 2.339 5.213 97 HD13 ILE 13 HD13 ILE 13 7.557 3.662 6.358 98 H GLN 14 H GLN 14 5.571 -1.736 9.200 99 HA GLN 14 HA GLN 14 4.390 -3.755 7.744 100 HB2 GLN 14 HB2 GLN 14 5.253 -3.534 10.626 101 HB3 GLN 14 HB3 GLN 14 4.638 -5.060 9.974 102 HG2 GLN 14 HG2 GLN 14 6.348 -5.195 8.319 103 HG3 GLN 14 HG3 GLN 14 6.896 -3.551 8.601 104 HE21 GLN 14 HE21 GLN 14 8.579 -5.736 8.563 105 HE22 GLN 14 HE22 GLN 14 9.369 -5.922 10.089 106 H ARG 15 H ARG 15 2.641 -1.754 10.214 107 HA ARG 15 HA ARG 15 0.495 -3.634 10.622 108 HB2 ARG 15 HB2 ARG 15 0.495 -0.565 10.696 109 HB3 ARG 15 HB3 ARG 15 -0.862 -1.563 11.180 110 HG2 ARG 15 HG2 ARG 15 1.861 -1.551 12.553 111 HG3 ARG 15 HG3 ARG 15 0.381 -0.750 13.117 112 HD2 ARG 15 HD2 ARG 15 -0.781 -2.972 13.159 113 HD3 ARG 15 HD3 ARG 15 0.758 -3.721 12.691 114 HE ARG 15 HE ARG 15 0.825 -2.119 15.139 115 HH11 ARG 15 HH11 ARG 15 0.253 -5.351 13.766 116 HH12 ARG 15 HH12 ARG 15 0.918 -6.210 15.114 117 HH21 ARG 15 HH21 ARG 15 1.408 -3.225 17.018 118 HH22 ARG 15 HH22 ARG 15 1.623 -4.971 17.024 119 H ALA 16 H ALA 16 0.950 -1.011 8.239 120 HA ALA 16 HA ALA 16 -1.566 -1.319 6.968 121 HB1 ALA 16 HB1 ALA 16 -0.319 0.649 6.507 122 HB2 ALA 16 HB2 ALA 16 1.082 -0.289 5.967 123 HB3 ALA 16 HB3 ALA 16 -0.409 -0.260 4.999 124 H ILE 17 H ILE 17 1.663 -2.597 6.186 125 HA ILE 17 HA ILE 17 0.929 -4.165 3.972 126 HB ILE 17 HB ILE 17 3.250 -4.128 5.870 127 HG12 ILE 17 HG12 ILE 17 3.278 -3.814 2.842 128 HG13 ILE 17 HG13 ILE 17 2.660 -2.505 3.840 129 HG21 ILE 17 HG21 ILE 17 2.888 -6.138 3.621 130 HG22 ILE 17 HG22 ILE 17 4.436 -5.789 4.423 131 HG23 ILE 17 HG23 ILE 17 3.094 -6.490 5.345 132 HD11 ILE 17 HD11 ILE 17 4.967 -2.095 3.388 133 HD12 ILE 17 HD12 ILE 17 4.748 -2.447 5.120 134 HD13 ILE 17 HD13 ILE 17 5.434 -3.683 4.053 135 H GLN 18 H GLN 18 1.043 -5.257 7.448 136 HA GLN 18 HA GLN 18 0.592 -7.967 6.854 137 HB2 GLN 18 HB2 GLN 18 -0.048 -6.230 9.249 138 HB3 GLN 18 HB3 GLN 18 -0.500 -7.941 9.214 139 HG2 GLN 18 HG2 GLN 18 1.787 -8.643 8.929 140 HG3 GLN 18 HG3 GLN 18 2.346 -6.989 8.715 141 HE21 GLN 18 HE21 GLN 18 3.840 -7.132 10.532 142 HE22 GLN 18 HE22 GLN 18 3.248 -7.204 12.173 143 H SER 19 H SER 19 -1.810 -5.375 7.324 144 HA SER 19 HA SER 19 -4.016 -7.228 6.936 145 HB2 SER 19 HB2 SER 19 -4.162 -4.226 6.574 146 HB3 SER 19 HB3 SER 19 -5.481 -5.350 6.955 147 HG SER 19 HG SER 19 -4.904 -4.386 8.831 148 H LEU 20 H LEU 20 -2.174 -5.067 4.818 149 HA LEU 20 HA LEU 20 -3.800 -5.201 2.492 150 HB2 LEU 20 HB2 LEU 20 -1.938 -3.560 2.976 151 HB3 LEU 20 HB3 LEU 20 -0.791 -4.876 2.778 152 HG LEU 20 HG LEU 20 -1.830 -5.146 0.384 153 HD11 LEU 20 HD11 LEU 20 -2.768 -3.010 -0.507 154 HD12 LEU 20 HD12 LEU 20 -2.762 -2.327 1.124 155 HD13 LEU 20 HD13 LEU 20 -3.808 -3.707 0.731 156 HD21 LEU 20 HD21 LEU 20 -0.356 -3.289 -0.464 157 HD22 LEU 20 HD22 LEU 20 0.421 -4.391 0.686 158 HD23 LEU 20 HD23 LEU 20 -0.112 -2.795 1.224 159 H VAL 21 H VAL 21 -0.940 -7.124 3.504 160 HA VAL 21 HA VAL 21 -0.856 -8.851 1.278 161 HB VAL 21 HB VAL 21 0.176 -8.995 4.143 162 HG11 VAL 21 HG11 VAL 21 -0.140 -11.338 3.564 163 HG12 VAL 21 HG12 VAL 21 0.643 -11.101 1.990 164 HG13 VAL 21 HG13 VAL 21 1.580 -10.950 3.491 165 HG21 VAL 21 HG21 VAL 21 1.230 -7.404 2.484 166 HG22 VAL 21 HG22 VAL 21 2.350 -8.626 3.112 167 HG23 VAL 21 HG23 VAL 21 1.662 -8.789 1.478 168 H HIS 22 H HIS 22 -2.501 -9.263 4.496 169 HA HIS 22 HA HIS 22 -3.457 -11.859 3.871 170 HB2 HIS 22 HB2 HIS 22 -3.581 -11.030 6.138 171 HB3 HIS 22 HB3 HIS 22 -4.568 -9.645 5.644 172 HD1 HIS 22 HD1 HIS 22 -4.885 -13.509 5.910 173 HD2 HIS 22 HD2 HIS 22 -7.195 -10.031 5.295 174 HE1 HIS 22 HE1 HIS 22 -7.314 -14.227 5.791 175 H ALA 23 H ALA 23 -4.988 -8.623 3.308 176 HA ALA 23 HA ALA 23 -7.314 -9.663 2.076 177 HB1 ALA 23 HB1 ALA 23 -7.134 -7.390 2.932 178 HB2 ALA 23 HB2 ALA 23 -5.941 -6.977 1.673 179 HB3 ALA 23 HB3 ALA 23 -7.614 -7.366 1.222 180 H ALA 24 H ALA 24 -4.134 -8.991 0.729 181 HA ALA 24 HA ALA 24 -4.852 -9.063 -2.031 182 HB1 ALA 24 HB1 ALA 24 -2.698 -8.134 -1.011 183 HB2 ALA 24 HB2 ALA 24 -2.173 -9.812 -0.804 184 HB3 ALA 24 HB3 ALA 24 -2.479 -9.165 -2.420 185 H GLN 25 H GLN 25 -4.395 -11.626 0.308 186 HA GLN 25 HA GLN 25 -4.465 -13.673 -1.874 187 HB2 GLN 25 HB2 GLN 25 -3.277 -15.187 -0.425 188 HB3 GLN 25 HB3 GLN 25 -2.371 -13.699 -0.679 189 HG2 GLN 25 HG2 GLN 25 -3.216 -12.933 1.610 190 HG3 GLN 25 HG3 GLN 25 -3.781 -14.560 1.870 191 HE21 GLN 25 HE21 GLN 25 -1.069 -12.495 1.965 192 HE22 GLN 25 HE22 GLN 25 0.161 -13.723 2.278 193 H CYS 26 H CYS 26 -6.447 -12.155 0.209 194 HA CYS 26 HA CYS 26 -7.950 -14.318 1.360 195 HB2 CYS 26 HB2 CYS 26 -7.845 -12.177 2.386 196 HB3 CYS 26 HB3 CYS 26 -8.440 -11.379 0.937 197 H ARG 27 H ARG 27 -8.194 -15.631 -0.500 198 HA ARG 27 HA ARG 27 -10.716 -15.117 -1.987 199 HB2 ARG 27 HB2 ARG 27 -9.569 -16.083 -4.057 200 HB3 ARG 27 HB3 ARG 27 -9.215 -14.398 -3.689 201 HG2 ARG 27 HG2 ARG 27 -6.999 -14.821 -3.054 202 HG3 ARG 27 HG3 ARG 27 -7.322 -16.489 -2.606 203 HD2 ARG 27 HD2 ARG 27 -6.098 -16.756 -4.489 204 HD3 ARG 27 HD3 ARG 27 -7.746 -16.959 -5.082 205 HE ARG 27 HE ARG 27 -6.838 -14.214 -5.301 206 HH11 ARG 27 HH11 ARG 27 -6.255 -17.409 -6.766 207 HH12 ARG 27 HH12 ARG 27 -5.630 -16.724 -8.251 208 HH21 ARG 27 HH21 ARG 27 -6.075 -13.364 -7.323 209 HH22 ARG 27 HH22 ARG 27 -5.546 -14.486 -8.546 210 H ASN 28 H ASN 28 -11.420 -16.598 -0.232 211 HA ASN 28 HA ASN 28 -11.158 -19.379 -1.024 212 HB2 ASN 28 HB2 ASN 28 -8.999 -18.941 0.271 213 HB3 ASN 28 HB3 ASN 28 -9.981 -18.449 1.647 214 HD21 ASN 28 HD21 ASN 28 -9.437 -21.195 -0.638 215 HD22 ASN 28 HD22 ASN 28 -9.692 -22.451 0.506 216 H ALA 29 H ALA 29 -12.773 -20.663 0.052 217 HA ALA 29 HA ALA 29 -15.030 -19.263 1.017 218 HB1 ALA 29 HB1 ALA 29 -15.365 -21.376 -0.017 219 HB2 ALA 29 HB2 ALA 29 -14.245 -22.201 1.098 220 HB3 ALA 29 HB3 ALA 29 -15.794 -21.619 1.684 221 H ASN 30 H ASN 30 -12.268 -20.349 2.882 222 HA ASN 30 HA ASN 30 -13.921 -20.113 5.350 223 HB2 ASN 30 HB2 ASN 30 -11.270 -21.481 4.798 224 HB3 ASN 30 HB3 ASN 30 -11.812 -21.140 6.430 225 HD21 ASN 30 HD21 ASN 30 -13.982 -21.986 7.133 226 HD22 ASN 30 HD22 ASN 30 -14.513 -23.491 6.381 227 H CYS 31 H CYS 31 -11.958 -18.047 3.511 228 HA CYS 31 HA CYS 31 -10.442 -16.916 5.755 229 HB2 CYS 31 HB2 CYS 31 -9.621 -16.855 3.402 230 HB3 CYS 31 HB3 CYS 31 -11.008 -15.824 2.968 231 H SER 32 H SER 32 -11.475 -15.858 7.299 232 HA SER 32 HA SER 32 -13.433 -13.767 6.653 233 HB2 SER 32 HB2 SER 32 -13.940 -16.010 8.628 234 HB3 SER 32 HB3 SER 32 -14.859 -14.489 8.586 235 HG SER 32 HG SER 32 -15.782 -16.231 7.411 236 H LEU 33 H LEU 33 -12.054 -12.105 7.167 237 HA LEU 33 HA LEU 33 -11.113 -11.979 9.996 238 HB2 LEU 33 HB2 LEU 33 -9.560 -11.563 7.482 239 HB3 LEU 33 HB3 LEU 33 -9.408 -10.281 8.676 240 HG LEU 33 HG LEU 33 -8.930 -12.112 10.407 241 HD11 LEU 33 HD11 LEU 33 -8.509 -13.711 7.842 242 HD12 LEU 33 HD12 LEU 33 -9.543 -14.116 9.218 243 HD13 LEU 33 HD13 LEU 33 -7.795 -14.148 9.410 244 HD21 LEU 33 HD21 LEU 33 -6.959 -11.497 8.176 245 HD22 LEU 33 HD22 LEU 33 -6.529 -12.149 9.763 246 HD23 LEU 33 HD23 LEU 33 -7.254 -10.542 9.654 247 HA PRO 34 HA PRO 34 -13.600 -8.324 10.022 248 HB2 PRO 34 HB2 PRO 34 -12.473 -6.834 12.036 249 HB3 PRO 34 HB3 PRO 34 -13.478 -8.284 12.287 250 HG2 PRO 34 HG2 PRO 34 -10.451 -8.112 12.224 251 HG3 PRO 34 HG3 PRO 34 -11.486 -8.944 13.425 252 HD2 PRO 34 HD2 PRO 34 -10.332 -10.305 11.385 253 HD3 PRO 34 HD3 PRO 34 -11.991 -10.697 11.905 254 H SER 35 H SER 35 -10.037 -7.674 9.967 255 HA SER 35 HA SER 35 -10.438 -5.031 8.861 256 HB2 SER 35 HB2 SER 35 -7.908 -6.711 8.901 257 HB3 SER 35 HB3 SER 35 -8.042 -4.945 8.811 258 HG SER 35 HG SER 35 -9.359 -5.377 10.904 259 H CYS 36 H CYS 36 -9.904 -8.234 7.509 260 HA CYS 36 HA CYS 36 -8.959 -7.642 4.990 261 HB2 CYS 36 HB2 CYS 36 -9.313 -9.888 6.154 262 HB3 CYS 36 HB3 CYS 36 -10.958 -9.855 5.527 263 H GLN 37 H GLN 37 -12.398 -7.957 5.852 264 HA GLN 37 HA GLN 37 -13.469 -7.341 3.341 265 HB2 GLN 37 HB2 GLN 37 -15.472 -6.490 4.589 266 HB3 GLN 37 HB3 GLN 37 -14.975 -8.129 4.982 267 HG2 GLN 37 HG2 GLN 37 -14.113 -7.476 7.107 268 HG3 GLN 37 HG3 GLN 37 -14.152 -5.758 6.700 269 HE21 GLN 37 HE21 GLN 37 -16.035 -8.438 7.880 270 HE22 GLN 37 HE22 GLN 37 -17.542 -7.609 8.101 271 H LYS 38 H LYS 38 -12.350 -4.988 5.838 272 HA LYS 38 HA LYS 38 -13.190 -2.688 4.288 273 HB2 LYS 38 HB2 LYS 38 -11.189 -2.911 6.588 274 HB3 LYS 38 HB3 LYS 38 -11.967 -1.457 5.968 275 HG2 LYS 38 HG2 LYS 38 -13.333 -3.712 7.474 276 HG3 LYS 38 HG3 LYS 38 -12.997 -2.079 8.033 277 HD2 LYS 38 HD2 LYS 38 -14.429 -1.250 6.066 278 HD3 LYS 38 HD3 LYS 38 -15.001 -2.922 5.891 279 HE2 LYS 38 HE2 LYS 38 -15.127 -1.267 8.437 280 HE3 LYS 38 HE3 LYS 38 -16.443 -1.365 7.253 281 HZ1 LYS 38 HZ1 LYS 38 -15.440 -3.642 8.859 282 HZ2 LYS 38 HZ2 LYS 38 -16.631 -3.707 7.703 283 HZ3 LYS 38 HZ3 LYS 38 -16.827 -2.808 9.058 284 H MET 39 H MET 39 -10.090 -4.429 4.765 285 HA MET 39 HA MET 39 -8.478 -2.683 3.256 286 HB2 MET 39 HB2 MET 39 -8.324 -5.679 3.748 287 HB3 MET 39 HB3 MET 39 -7.115 -4.834 2.786 288 HG2 MET 39 HG2 MET 39 -7.744 -4.422 5.715 289 HG3 MET 39 HG3 MET 39 -6.280 -5.064 4.980 290 HE1 MET 39 HE1 MET 39 -4.749 -3.367 3.222 291 HE2 MET 39 HE2 MET 39 -6.219 -2.694 2.469 292 HE3 MET 39 HE3 MET 39 -5.016 -1.616 3.192 293 H LYS 40 H LYS 40 -10.633 -5.267 2.130 294 HA LYS 40 HA LYS 40 -9.802 -5.467 -0.548 295 HB2 LYS 40 HB2 LYS 40 -12.323 -5.953 0.972 296 HB3 LYS 40 HB3 LYS 40 -12.568 -5.595 -0.739 297 HG2 LYS 40 HG2 LYS 40 -12.414 -7.922 -0.663 298 HG3 LYS 40 HG3 LYS 40 -10.851 -7.384 -1.277 299 HD2 LYS 40 HD2 LYS 40 -10.005 -7.555 1.142 300 HD3 LYS 40 HD3 LYS 40 -11.525 -8.359 1.546 301 HE2 LYS 40 HE2 LYS 40 -9.644 -9.288 -0.676 302 HE3 LYS 40 HE3 LYS 40 -9.511 -9.817 1.011 303 HZ1 LYS 40 HZ1 LYS 40 -10.726 -11.369 -0.347 304 HZ2 LYS 40 HZ2 LYS 40 -11.932 -10.264 -0.615 305 HZ3 LYS 40 HZ3 LYS 40 -11.597 -10.836 0.899 306 H ARG 41 H ARG 41 -11.675 -2.849 1.007 307 HA ARG 41 HA ARG 41 -12.558 -1.597 -1.360 308 HB2 ARG 41 HB2 ARG 41 -13.265 -1.096 1.050 309 HB3 ARG 41 HB3 ARG 41 -11.730 -0.250 1.265 310 HG2 ARG 41 HG2 ARG 41 -13.356 1.421 0.827 311 HG3 ARG 41 HG3 ARG 41 -12.408 1.285 -0.663 312 HD2 ARG 41 HD2 ARG 41 -14.209 -0.313 -1.528 313 HD3 ARG 41 HD3 ARG 41 -15.116 0.046 -0.048 314 HE ARG 41 HE ARG 41 -14.291 2.387 -1.639 315 HH11 ARG 41 HH11 ARG 41 -16.765 -0.100 -1.363 316 HH12 ARG 41 HH12 ARG 41 -17.948 0.744 -2.320 317 HH21 ARG 41 HH21 ARG 41 -15.923 3.698 -2.572 318 HH22 ARG 41 HH22 ARG 41 -17.498 3.056 -2.869 319 H VAL 42 H VAL 42 -9.462 -1.269 0.430 320 HA VAL 42 HA VAL 42 -8.466 0.900 -1.121 321 HB VAL 42 HB VAL 42 -6.864 -1.201 0.396 322 HG11 VAL 42 HG11 VAL 42 -5.515 0.352 -0.974 323 HG12 VAL 42 HG12 VAL 42 -6.292 1.736 -0.173 324 HG13 VAL 42 HG13 VAL 42 -5.267 0.623 0.758 325 HG21 VAL 42 HG21 VAL 42 -8.567 -0.382 1.970 326 HG22 VAL 42 HG22 VAL 42 -7.017 0.344 2.372 327 HG23 VAL 42 HG23 VAL 42 -8.233 1.300 1.505 328 H VAL 43 H VAL 43 -8.157 -2.678 -1.415 329 HA VAL 43 HA VAL 43 -6.418 -2.554 -3.667 330 HB VAL 43 HB VAL 43 -8.325 -4.842 -2.964 331 HG11 VAL 43 HG11 VAL 43 -7.141 -5.107 -5.112 332 HG12 VAL 43 HG12 VAL 43 -5.593 -4.763 -4.314 333 HG13 VAL 43 HG13 VAL 43 -6.503 -6.242 -3.918 334 HG21 VAL 43 HG21 VAL 43 -5.651 -4.085 -1.714 335 HG22 VAL 43 HG22 VAL 43 -7.202 -4.363 -0.895 336 HG23 VAL 43 HG23 VAL 43 -6.353 -5.723 -1.612 337 H GLN 44 H GLN 44 -9.975 -2.708 -3.377 338 HA GLN 44 HA GLN 44 -10.440 -2.843 -6.226 339 HB2 GLN 44 HB2 GLN 44 -12.187 -2.272 -3.802 340 HB3 GLN 44 HB3 GLN 44 -12.819 -2.185 -5.439 341 HG2 GLN 44 HG2 GLN 44 -11.481 -4.668 -4.264 342 HG3 GLN 44 HG3 GLN 44 -13.220 -4.401 -4.334 343 HE21 GLN 44 HE21 GLN 44 -13.855 -3.547 -6.776 344 HE22 GLN 44 HE22 GLN 44 -13.207 -4.539 -8.054 345 H HIS 45 H HIS 45 -9.827 -0.149 -3.990 346 HA HIS 45 HA HIS 45 -11.060 1.897 -5.456 347 HB2 HIS 45 HB2 HIS 45 -10.386 2.405 -3.261 348 HB3 HIS 45 HB3 HIS 45 -8.738 1.863 -3.532 349 HD1 HIS 45 HD1 HIS 45 -10.879 4.986 -3.925 350 HD2 HIS 45 HD2 HIS 45 -7.058 3.493 -4.925 351 HE1 HIS 45 HE1 HIS 45 -9.459 6.980 -4.567 352 H THR 46 H THR 46 -7.537 0.849 -5.652 353 HA THR 46 HA THR 46 -6.885 2.575 -7.760 354 HB THR 46 HB THR 46 -5.273 1.346 -6.435 355 HG1 THR 46 HG1 THR 46 -4.906 0.807 -9.210 356 HG21 THR 46 HG21 THR 46 -4.600 -0.960 -7.191 357 HG22 THR 46 HG22 THR 46 -6.142 -1.106 -8.002 358 HG23 THR 46 HG23 THR 46 -6.078 -0.847 -6.237 359 H LYS 47 H LYS 47 -8.404 -0.601 -7.917 360 HA LYS 47 HA LYS 47 -8.359 -0.915 -10.719 361 HB2 LYS 47 HB2 LYS 47 -10.142 -2.101 -8.558 362 HB3 LYS 47 HB3 LYS 47 -10.217 -2.574 -10.256 363 HG2 LYS 47 HG2 LYS 47 -7.761 -3.153 -10.127 364 HG3 LYS 47 HG3 LYS 47 -7.835 -2.871 -8.394 365 HD2 LYS 47 HD2 LYS 47 -8.026 -5.272 -8.926 366 HD3 LYS 47 HD3 LYS 47 -9.462 -4.666 -8.111 367 HE2 LYS 47 HE2 LYS 47 -10.090 -6.184 -9.926 368 HE3 LYS 47 HE3 LYS 47 -10.684 -4.560 -10.243 369 HZ1 LYS 47 HZ1 LYS 47 -9.797 -5.379 -12.221 370 HZ2 LYS 47 HZ2 LYS 47 -8.401 -5.918 -11.541 371 HZ3 LYS 47 HZ3 LYS 47 -8.692 -4.287 -11.717 372 H GLY 48 H GLY 48 -10.295 1.317 -8.981 373 HA2 GLY 48 HA2 GLY 48 -12.146 1.545 -11.334 374 HA3 GLY 48 HA3 GLY 48 -12.688 1.754 -9.669 375 H CYS 49 H CYS 49 -9.696 2.993 -9.430 376 HA CYS 49 HA CYS 49 -10.666 5.704 -9.525 377 HB2 CYS 49 HB2 CYS 49 -8.669 4.287 -8.116 378 HB3 CYS 49 HB3 CYS 49 -7.763 5.329 -9.178 379 H LYS 50 H LYS 50 -11.002 6.533 -11.476 380 HA LYS 50 HA LYS 50 -9.594 5.945 -13.885 381 HB2 LYS 50 HB2 LYS 50 -11.116 8.466 -13.066 382 HB3 LYS 50 HB3 LYS 50 -10.579 8.143 -14.705 383 HG2 LYS 50 HG2 LYS 50 -12.392 6.208 -13.210 384 HG3 LYS 50 HG3 LYS 50 -13.015 7.608 -14.095 385 HD2 LYS 50 HD2 LYS 50 -12.190 6.809 -16.188 386 HD3 LYS 50 HD3 LYS 50 -11.198 5.564 -15.414 387 HE2 LYS 50 HE2 LYS 50 -13.145 4.519 -16.401 388 HE3 LYS 50 HE3 LYS 50 -13.213 4.392 -14.639 389 HZ1 LYS 50 HZ1 LYS 50 -14.767 6.203 -14.607 390 HZ2 LYS 50 HZ2 LYS 50 -15.333 5.004 -15.543 391 HZ3 LYS 50 HZ3 LYS 50 -14.725 6.356 -16.259 392 H ARG 51 H ARG 51 -8.963 8.348 -11.347 393 HA ARG 51 HA ARG 51 -7.042 9.836 -12.697 394 HB2 ARG 51 HB2 ARG 51 -8.156 10.536 -10.647 395 HB3 ARG 51 HB3 ARG 51 -7.317 9.299 -9.732 396 HG2 ARG 51 HG2 ARG 51 -6.364 11.495 -9.341 397 HG3 ARG 51 HG3 ARG 51 -5.168 10.451 -10.116 398 HD2 ARG 51 HD2 ARG 51 -5.558 11.500 -12.258 399 HD3 ARG 51 HD3 ARG 51 -6.873 12.504 -11.586 400 HE ARG 51 HE ARG 51 -4.639 13.030 -10.032 401 HH11 ARG 51 HH11 ARG 51 -5.570 13.585 -13.439 402 HH12 ARG 51 HH12 ARG 51 -4.201 14.498 -13.831 403 HH21 ARG 51 HH21 ARG 51 -3.221 14.859 -10.441 404 HH22 ARG 51 HH22 ARG 51 -2.896 15.333 -12.076 405 H LYS 52 H LYS 52 -6.595 6.550 -11.326 406 HA LYS 52 HA LYS 52 -3.874 6.673 -11.010 407 HB2 LYS 52 HB2 LYS 52 -5.124 4.744 -10.251 408 HB3 LYS 52 HB3 LYS 52 -5.490 4.273 -11.911 409 HG2 LYS 52 HG2 LYS 52 -3.693 2.887 -10.963 410 HG3 LYS 52 HG3 LYS 52 -3.119 3.802 -12.354 411 HD2 LYS 52 HD2 LYS 52 -2.037 5.455 -10.809 412 HD3 LYS 52 HD3 LYS 52 -2.659 4.539 -9.439 413 HE2 LYS 52 HE2 LYS 52 -0.361 3.982 -9.684 414 HE3 LYS 52 HE3 LYS 52 -1.270 2.561 -10.218 415 HZ1 LYS 52 HZ1 LYS 52 -0.825 3.218 -12.497 416 HZ2 LYS 52 HZ2 LYS 52 0.606 3.155 -11.700 417 HZ3 LYS 52 HZ3 LYS 52 -0.050 4.600 -12.008 418 H THR 53 H THR 53 -5.499 5.573 -14.069 419 HA THR 53 HA THR 53 -2.973 5.488 -15.469 420 HB THR 53 HB THR 53 -5.802 5.684 -16.577 421 HG1 THR 53 HG1 THR 53 -5.778 3.927 -15.340 422 HG21 THR 53 HG21 THR 53 -3.309 4.459 -17.811 423 HG22 THR 53 HG22 THR 53 -4.009 6.011 -18.294 424 HG23 THR 53 HG23 THR 53 -4.933 4.531 -18.541 425 H ASN 54 H ASN 54 -5.374 8.054 -14.909 426 HA ASN 54 HA ASN 54 -4.496 9.864 -16.907 427 HB2 ASN 54 HB2 ASN 54 -6.646 10.064 -15.659 428 HB3 ASN 54 HB3 ASN 54 -5.725 10.442 -14.199 429 HD21 ASN 54 HD21 ASN 54 -7.580 12.258 -14.649 430 HD22 ASN 54 HD22 ASN 54 -6.830 13.730 -15.192 431 H GLY 55 H GLY 55 -3.440 9.596 -13.490 432 HA2 GLY 55 HA2 GLY 55 -0.793 10.508 -14.194 433 HA3 GLY 55 HA3 GLY 55 -1.716 11.781 -13.386 434 H GLY 56 H GLY 56 -2.984 9.137 -11.942 435 HA2 GLY 56 HA2 GLY 56 -2.221 7.628 -10.302 436 HA3 GLY 56 HA3 GLY 56 -0.807 8.620 -10.014 437 H CYS 57 H CYS 57 -3.845 7.816 -8.842 438 HA CYS 57 HA CYS 57 -4.912 10.215 -7.811 439 HB2 CYS 57 HB2 CYS 57 -5.086 7.573 -6.371 440 HB3 CYS 57 HB3 CYS 57 -6.381 8.731 -6.721 441 HA PRO 58 HA PRO 58 -2.218 10.824 -4.323 442 HB2 PRO 58 HB2 PRO 58 -3.831 11.322 -2.137 443 HB3 PRO 58 HB3 PRO 58 -3.534 12.476 -3.479 444 HG2 PRO 58 HG2 PRO 58 -5.874 10.580 -3.135 445 HG3 PRO 58 HG3 PRO 58 -5.911 12.337 -3.537 446 HD2 PRO 58 HD2 PRO 58 -6.108 10.463 -5.483 447 HD3 PRO 58 HD3 PRO 58 -5.111 11.925 -5.753 448 H ILE 59 H ILE 59 -4.996 8.767 -3.264 449 HA ILE 59 HA ILE 59 -3.629 7.256 -1.350 450 HB ILE 59 HB ILE 59 -6.014 6.692 -3.141 451 HG12 ILE 59 HG12 ILE 59 -5.957 7.088 -0.120 452 HG13 ILE 59 HG13 ILE 59 -5.891 8.479 -1.170 453 HG21 ILE 59 HG21 ILE 59 -5.151 4.456 -2.570 454 HG22 ILE 59 HG22 ILE 59 -5.049 4.906 -0.853 455 HG23 ILE 59 HG23 ILE 59 -6.625 4.770 -1.675 456 HD11 ILE 59 HD11 ILE 59 -8.126 6.418 -1.353 457 HD12 ILE 59 HD12 ILE 59 -8.212 7.988 -0.536 458 HD13 ILE 59 HD13 ILE 59 -7.961 7.905 -2.296 459 H CYS 60 H CYS 60 -4.330 6.288 -4.773 460 HA CYS 60 HA CYS 60 -2.825 4.004 -4.840 461 HB2 CYS 60 HB2 CYS 60 -3.245 5.950 -7.143 462 HB3 CYS 60 HB3 CYS 60 -2.985 4.198 -7.221 463 H LYS 61 H LYS 61 -1.645 7.365 -5.212 464 HA LYS 61 HA LYS 61 0.984 6.605 -6.119 465 HB2 LYS 61 HB2 LYS 61 -0.218 9.174 -5.072 466 HB3 LYS 61 HB3 LYS 61 1.534 9.005 -5.144 467 HG2 LYS 61 HG2 LYS 61 1.539 8.544 -7.486 468 HG3 LYS 61 HG3 LYS 61 -0.223 8.419 -7.550 469 HD2 LYS 61 HD2 LYS 61 -0.529 10.741 -7.140 470 HD3 LYS 61 HD3 LYS 61 1.176 11.004 -6.715 471 HE2 LYS 61 HE2 LYS 61 0.417 9.871 -9.421 472 HE3 LYS 61 HE3 LYS 61 0.258 11.595 -9.141 473 HZ1 LYS 61 HZ1 LYS 61 2.386 10.881 -10.111 474 HZ2 LYS 61 HZ2 LYS 61 2.798 10.167 -8.667 475 HZ3 LYS 61 HZ3 LYS 61 2.517 11.802 -8.786 476 H GLN 62 H GLN 62 -0.242 7.706 -2.888 477 HA GLN 62 HA GLN 62 2.243 7.195 -1.595 478 HB2 GLN 62 HB2 GLN 62 -0.535 7.104 -0.372 479 HB3 GLN 62 HB3 GLN 62 0.980 7.255 0.506 480 HG2 GLN 62 HG2 GLN 62 -0.372 9.329 -1.209 481 HG3 GLN 62 HG3 GLN 62 0.039 9.410 0.491 482 HE21 GLN 62 HE21 GLN 62 2.682 9.163 0.868 483 HE22 GLN 62 HE22 GLN 62 3.520 10.268 -0.214 484 H LEU 63 H LEU 63 -0.408 4.984 -2.441 485 HA LEU 63 HA LEU 63 0.298 2.858 -0.746 486 HB2 LEU 63 HB2 LEU 63 -1.810 3.168 -2.102 487 HB3 LEU 63 HB3 LEU 63 -0.913 2.672 -3.533 488 HG LEU 63 HG LEU 63 -0.589 0.423 -2.579 489 HD11 LEU 63 HD11 LEU 63 -2.210 1.469 -0.201 490 HD12 LEU 63 HD12 LEU 63 -0.513 0.950 -0.157 491 HD13 LEU 63 HD13 LEU 63 -1.779 -0.235 -0.490 492 HD21 LEU 63 HD21 LEU 63 -2.929 -0.300 -2.684 493 HD22 LEU 63 HD22 LEU 63 -2.687 1.014 -3.840 494 HD23 LEU 63 HD23 LEU 63 -3.495 1.344 -2.312 495 H ILE 64 H ILE 64 1.845 3.908 -3.733 496 HA ILE 64 HA ILE 64 3.298 1.533 -4.364 497 HB ILE 64 HB ILE 64 3.828 4.481 -4.887 498 HG12 ILE 64 HG12 ILE 64 2.865 2.429 -6.907 499 HG13 ILE 64 HG13 ILE 64 1.733 3.256 -5.846 500 HG21 ILE 64 HG21 ILE 64 5.350 3.791 -6.715 501 HG22 ILE 64 HG22 ILE 64 5.966 3.382 -5.127 502 HG23 ILE 64 HG23 ILE 64 5.243 2.109 -6.138 503 HD11 ILE 64 HD11 ILE 64 1.750 4.490 -7.849 504 HD12 ILE 64 HD12 ILE 64 2.637 5.462 -6.653 505 HD13 ILE 64 HD13 ILE 64 3.533 4.576 -7.879 506 H ALA 65 H ALA 65 3.892 4.264 -2.165 507 HA ALA 65 HA ALA 65 6.570 4.031 -1.577 508 HB1 ALA 65 HB1 ALA 65 4.839 5.702 -0.647 509 HB2 ALA 65 HB2 ALA 65 4.414 4.472 0.545 510 HB3 ALA 65 HB3 ALA 65 6.047 5.120 0.539 511 H LEU 66 H LEU 66 3.881 2.327 0.008 512 HA LEU 66 HA LEU 66 5.655 0.751 1.665 513 HB2 LEU 66 HB2 LEU 66 2.701 1.080 1.352 514 HB3 LEU 66 HB3 LEU 66 3.272 -0.481 1.947 515 HG LEU 66 HG LEU 66 4.665 0.570 3.616 516 HD11 LEU 66 HD11 LEU 66 3.429 3.191 2.700 517 HD12 LEU 66 HD12 LEU 66 5.149 2.767 2.774 518 HD13 LEU 66 HD13 LEU 66 4.252 2.964 4.264 519 HD21 LEU 66 HD21 LEU 66 2.402 -0.240 4.096 520 HD22 LEU 66 HD22 LEU 66 1.722 1.333 3.724 521 HD23 LEU 66 HD23 LEU 66 2.805 1.122 5.133 522 H ALA 67 H ALA 67 4.093 0.251 -1.475 523 HA ALA 67 HA ALA 67 4.471 -2.564 -1.573 524 HB1 ALA 67 HB1 ALA 67 3.091 -1.272 -3.210 525 HB2 ALA 67 HB2 ALA 67 4.580 -0.600 -3.909 526 HB3 ALA 67 HB3 ALA 67 4.283 -2.341 -3.993 527 H ALA 68 H ALA 68 6.556 0.163 -2.584 528 HA ALA 68 HA ALA 68 8.799 -1.375 -3.424 529 HB1 ALA 68 HB1 ALA 68 10.005 0.759 -3.272 530 HB2 ALA 68 HB2 ALA 68 8.415 0.993 -4.012 531 HB3 ALA 68 HB3 ALA 68 8.686 1.475 -2.317 532 H TYR 69 H TYR 69 7.886 -0.077 -0.198 533 HA TYR 69 HA TYR 69 10.374 -0.774 1.106 534 HB2 TYR 69 HB2 TYR 69 8.976 0.786 2.260 535 HB3 TYR 69 HB3 TYR 69 7.549 -0.220 2.074 536 HD1 TYR 69 HD1 TYR 69 10.392 0.508 4.252 537 HD2 TYR 69 HD2 TYR 69 7.205 -2.253 3.418 538 HE1 TYR 69 HE1 TYR 69 10.783 -0.601 6.437 539 HE2 TYR 69 HE2 TYR 69 7.495 -3.302 5.642 540 HH TYR 69 HH TYR 69 9.245 -3.747 7.159 541 H HIS 70 H HIS 70 7.230 -2.548 0.753 542 HA HIS 70 HA HIS 70 8.083 -4.807 2.190 543 HB2 HIS 70 HB2 HIS 70 5.831 -4.802 2.137 544 HB3 HIS 70 HB3 HIS 70 5.750 -3.932 0.612 545 HD1 HIS 70 HD1 HIS 70 4.984 -7.306 1.891 546 HD2 HIS 70 HD2 HIS 70 6.224 -5.449 -1.688 547 HE1 HIS 70 HE1 HIS 70 4.384 -8.881 -0.025 548 H ALA 71 H ALA 71 8.340 -3.862 -1.231 549 HA ALA 71 HA ALA 71 9.029 -6.348 -2.323 550 HB1 ALA 71 HB1 ALA 71 10.016 -5.054 -4.153 551 HB2 ALA 71 HB2 ALA 71 8.463 -4.352 -3.673 552 HB3 ALA 71 HB3 ALA 71 9.996 -3.583 -3.173 553 H LYS 72 H LYS 72 10.997 -4.169 -0.324 554 HA LYS 72 HA LYS 72 13.484 -5.270 -1.176 555 HB2 LYS 72 HB2 LYS 72 14.527 -4.097 0.467 556 HB3 LYS 72 HB3 LYS 72 13.072 -3.135 0.196 557 HG2 LYS 72 HG2 LYS 72 12.134 -4.372 2.291 558 HG3 LYS 72 HG3 LYS 72 13.776 -4.943 2.491 559 HD2 LYS 72 HD2 LYS 72 13.584 -3.082 3.919 560 HD3 LYS 72 HD3 LYS 72 14.598 -2.579 2.564 561 HE2 LYS 72 HE2 LYS 72 12.491 -1.517 1.555 562 HE3 LYS 72 HE3 LYS 72 11.659 -1.919 3.064 563 HZ1 LYS 72 HZ1 LYS 72 13.380 -0.569 4.220 564 HZ2 LYS 72 HZ2 LYS 72 12.473 0.340 3.202 565 HZ3 LYS 72 HZ3 LYS 72 13.994 -0.110 2.786 566 H HIS 73 H HIS 73 10.966 -6.640 0.856 567 HA HIS 73 HA HIS 73 12.840 -8.886 1.563 568 HB2 HIS 73 HB2 HIS 73 10.187 -8.468 2.894 569 HB3 HIS 73 HB3 HIS 73 11.608 -9.318 3.463 570 HD1 HIS 73 HD1 HIS 73 9.820 -6.200 4.009 571 HD2 HIS 73 HD2 HIS 73 13.830 -7.486 4.004 572 HE1 HIS 73 HE1 HIS 73 11.142 -4.474 5.378 573 H CYS 74 H CYS 74 9.892 -8.044 -0.117 574 HA CYS 74 HA CYS 74 8.929 -10.815 -0.378 575 HB2 CYS 74 HB2 CYS 74 7.560 -8.557 -0.186 576 HB3 CYS 74 HB3 CYS 74 7.916 -8.424 -1.908 577 H GLN 75 H GLN 75 10.300 -12.008 -1.564 578 HA GLN 75 HA GLN 75 10.813 -11.143 -4.366 579 HB2 GLN 75 HB2 GLN 75 13.162 -12.084 -4.132 580 HB3 GLN 75 HB3 GLN 75 12.853 -10.496 -3.451 581 HG2 GLN 75 HG2 GLN 75 12.780 -11.425 -1.188 582 HG3 GLN 75 HG3 GLN 75 13.005 -13.060 -1.794 583 HE21 GLN 75 HE21 GLN 75 15.101 -13.605 -2.743 584 HE22 GLN 75 HE22 GLN 75 16.514 -12.652 -2.353 585 H GLU 76 H GLU 76 9.080 -12.593 -4.843 586 HA GLU 76 HA GLU 76 9.970 -15.442 -4.888 587 HB2 GLU 76 HB2 GLU 76 7.435 -15.889 -4.701 588 HB3 GLU 76 HB3 GLU 76 8.384 -15.565 -3.240 589 HG2 GLU 76 HG2 GLU 76 7.528 -13.266 -3.179 590 HG3 GLU 76 HG3 GLU 76 6.665 -13.516 -4.681 591 H ASN 77 H ASN 77 8.467 -16.679 -6.499 592 HA ASN 77 HA ASN 77 8.993 -15.544 -9.112 593 HB2 ASN 77 HB2 ASN 77 8.983 -18.013 -8.619 594 HB3 ASN 77 HB3 ASN 77 7.251 -17.911 -8.320 595 HD21 ASN 77 HD21 ASN 77 9.687 -18.211 -10.801 596 HD22 ASN 77 HD22 ASN 77 8.583 -18.271 -12.125 597 H LYS 78 H LYS 78 6.118 -15.811 -6.980 598 HA LYS 78 HA LYS 78 4.602 -14.060 -8.879 599 HB2 LYS 78 HB2 LYS 78 4.006 -16.482 -8.910 600 HB3 LYS 78 HB3 LYS 78 3.325 -16.268 -7.307 601 HG2 LYS 78 HG2 LYS 78 1.556 -15.071 -8.103 602 HG3 LYS 78 HG3 LYS 78 2.518 -14.097 -9.214 603 HD2 LYS 78 HD2 LYS 78 1.641 -16.935 -9.614 604 HD3 LYS 78 HD3 LYS 78 0.835 -15.508 -10.292 605 HE2 LYS 78 HE2 LYS 78 2.589 -15.040 -11.796 606 HE3 LYS 78 HE3 LYS 78 3.726 -16.098 -10.935 607 HZ1 LYS 78 HZ1 LYS 78 2.892 -17.097 -12.971 608 HZ2 LYS 78 HZ2 LYS 78 1.359 -17.080 -12.408 609 HZ3 LYS 78 HZ3 LYS 78 2.516 -17.994 -11.632 610 H CYS 79 H CYS 79 5.560 -12.328 -7.486 611 HA CYS 79 HA CYS 79 5.210 -11.965 -4.801 612 HB2 CYS 79 HB2 CYS 79 5.915 -10.334 -7.022 613 HB3 CYS 79 HB3 CYS 79 4.685 -9.448 -6.113 614 HA PRO 80 HA PRO 80 0.763 -12.097 -4.434 615 HB2 PRO 80 HB2 PRO 80 0.461 -12.020 -1.792 616 HB3 PRO 80 HB3 PRO 80 1.340 -13.326 -2.610 617 HG2 PRO 80 HG2 PRO 80 2.618 -10.848 -1.373 618 HG3 PRO 80 HG3 PRO 80 2.991 -12.570 -1.018 619 HD2 PRO 80 HD2 PRO 80 4.382 -11.154 -2.882 620 HD3 PRO 80 HD3 PRO 80 3.960 -12.873 -3.133 621 H VAL 81 H VAL 81 2.287 -8.985 -3.361 622 HA VAL 81 HA VAL 81 -0.411 -7.878 -2.932 623 HB VAL 81 HB VAL 81 2.276 -6.442 -2.934 624 HG11 VAL 81 HG11 VAL 81 1.169 -4.623 -1.838 625 HG12 VAL 81 HG12 VAL 81 0.412 -4.903 -3.399 626 HG13 VAL 81 HG13 VAL 81 -0.391 -5.463 -1.911 627 HG21 VAL 81 HG21 VAL 81 0.602 -7.358 -0.579 628 HG22 VAL 81 HG22 VAL 81 2.180 -8.043 -1.087 629 HG23 VAL 81 HG23 VAL 81 2.088 -6.385 -0.510 630 HA PRO 82 HA PRO 82 -0.660 -7.231 -7.322 631 HB2 PRO 82 HB2 PRO 82 -2.414 -5.128 -7.593 632 HB3 PRO 82 HB3 PRO 82 -2.870 -6.821 -7.245 633 HG2 PRO 82 HG2 PRO 82 -2.547 -4.539 -5.303 634 HG3 PRO 82 HG3 PRO 82 -3.838 -5.776 -5.367 635 HD2 PRO 82 HD2 PRO 82 -1.743 -5.959 -3.637 636 HD3 PRO 82 HD3 PRO 82 -2.451 -7.405 -4.387 637 H PHE 83 H PHE 83 0.353 -4.587 -5.250 638 HA PHE 83 HA PHE 83 1.440 -2.999 -7.481 639 HB2 PHE 83 HB2 PHE 83 1.357 -2.638 -4.473 640 HB3 PHE 83 HB3 PHE 83 2.429 -1.694 -5.496 641 HD1 PHE 83 HD1 PHE 83 -1.246 -2.613 -5.433 642 HD2 PHE 83 HD2 PHE 83 1.755 0.418 -6.111 643 HE1 PHE 83 HE1 PHE 83 -3.006 -0.938 -5.819 644 HE2 PHE 83 HE2 PHE 83 -0.016 2.071 -6.570 645 HZ PHE 83 HZ PHE 83 -2.424 1.399 -6.501 646 H CYS 84 H CYS 84 2.751 -5.127 -4.787 647 HA CYS 84 HA CYS 84 5.452 -4.439 -5.282 648 HB2 CYS 84 HB2 CYS 84 6.050 -6.284 -3.973 649 HB3 CYS 84 HB3 CYS 84 4.597 -5.550 -3.257 650 H LEU 85 H LEU 85 3.382 -6.839 -6.731 651 HA LEU 85 HA LEU 85 5.366 -8.290 -8.084 652 HB2 LEU 85 HB2 LEU 85 2.994 -8.960 -7.922 653 HB3 LEU 85 HB3 LEU 85 2.564 -7.662 -9.041 654 HG LEU 85 HG LEU 85 3.966 -8.733 -10.807 655 HD11 LEU 85 HD11 LEU 85 4.748 -11.085 -10.503 656 HD12 LEU 85 HD12 LEU 85 4.247 -11.007 -8.803 657 HD13 LEU 85 HD13 LEU 85 5.580 -9.999 -9.395 658 HD21 LEU 85 HD21 LEU 85 1.581 -9.315 -10.774 659 HD22 LEU 85 HD22 LEU 85 1.915 -10.646 -9.650 660 HD23 LEU 85 HD23 LEU 85 2.553 -10.683 -11.303 661 H ASN 86 H ASN 86 4.137 -5.058 -8.765 662 HA ASN 86 HA ASN 86 5.223 -4.890 -11.453 663 HB2 ASN 86 HB2 ASN 86 4.675 -2.644 -9.440 664 HB3 ASN 86 HB3 ASN 86 5.265 -2.398 -11.067 665 HD21 ASN 86 HD21 ASN 86 3.771 -3.995 -12.701 666 HD22 ASN 86 HD22 ASN 86 2.081 -3.594 -12.521 667 H ILE 87 H ILE 87 6.464 -3.817 -8.225 668 HA ILE 87 HA ILE 87 8.978 -3.034 -9.169 669 HB ILE 87 HB ILE 87 8.217 -4.000 -6.381 670 HG12 ILE 87 HG12 ILE 87 8.744 -1.300 -6.164 671 HG13 ILE 87 HG13 ILE 87 8.113 -1.340 -7.800 672 HG21 ILE 87 HG21 ILE 87 10.635 -4.228 -6.602 673 HG22 ILE 87 HG22 ILE 87 10.764 -2.594 -7.293 674 HG23 ILE 87 HG23 ILE 87 10.272 -2.843 -5.602 675 HD11 ILE 87 HD11 ILE 87 6.720 -2.453 -5.317 676 HD12 ILE 87 HD12 ILE 87 6.392 -0.878 -6.059 677 HD13 ILE 87 HD13 ILE 87 6.032 -2.365 -6.961 678 H LYS 88 H LYS 88 7.854 -6.285 -8.228 679 HA LYS 88 HA LYS 88 10.530 -7.386 -8.389 680 HB2 LYS 88 HB2 LYS 88 8.834 -8.474 -7.036 681 HB3 LYS 88 HB3 LYS 88 7.776 -8.710 -8.423 682 HG2 LYS 88 HG2 LYS 88 9.024 -10.753 -7.645 683 HG3 LYS 88 HG3 LYS 88 9.206 -10.370 -9.370 684 HD2 LYS 88 HD2 LYS 88 11.405 -9.315 -8.863 685 HD3 LYS 88 HD3 LYS 88 11.245 -9.783 -7.171 686 HE2 LYS 88 HE2 LYS 88 11.095 -11.764 -9.487 687 HE3 LYS 88 HE3 LYS 88 12.645 -11.223 -8.821 688 HZ1 LYS 88 HZ1 LYS 88 10.577 -12.618 -7.257 689 HZ2 LYS 88 HZ2 LYS 88 12.095 -12.080 -6.738 690 HZ3 LYS 88 HZ3 LYS 88 11.983 -13.260 -7.842 691 H GLN 89 H GLN 89 7.728 -7.572 -10.565 692 HA GLN 89 HA GLN 89 9.054 -8.909 -12.693 693 HB2 GLN 89 HB2 GLN 89 6.625 -7.089 -12.772 694 HB3 GLN 89 HB3 GLN 89 7.159 -8.074 -14.124 695 HG2 GLN 89 HG2 GLN 89 6.418 -9.266 -11.441 696 HG3 GLN 89 HG3 GLN 89 5.259 -9.016 -12.742 697 HE21 GLN 89 HE21 GLN 89 6.686 -9.897 -15.057 698 HE22 GLN 89 HE22 GLN 89 6.887 -11.618 -14.799 699 H LYS 90 H LYS 90 9.504 -5.633 -11.730 700 HA LYS 90 HA LYS 90 10.733 -5.007 -14.379 701 HB2 LYS 90 HB2 LYS 90 9.427 -3.045 -12.470 702 HB3 LYS 90 HB3 LYS 90 10.175 -2.653 -14.013 703 HG2 LYS 90 HG2 LYS 90 7.706 -4.403 -13.633 704 HG3 LYS 90 HG3 LYS 90 7.683 -2.712 -14.065 705 HD2 LYS 90 HD2 LYS 90 8.636 -3.097 -16.210 706 HD3 LYS 90 HD3 LYS 90 9.153 -4.731 -15.809 707 HE2 LYS 90 HE2 LYS 90 6.250 -3.843 -16.040 708 HE3 LYS 90 HE3 LYS 90 7.176 -4.697 -17.277 709 HZ1 LYS 90 HZ1 LYS 90 6.048 -6.354 -16.184 710 HZ2 LYS 90 HZ2 LYS 90 6.253 -5.724 -14.688 711 HZ3 LYS 90 HZ3 LYS 90 7.526 -6.437 -15.488 712 H GLY 91 H GLY 91 11.581 -6.064 -11.428 713 HA2 GLY 91 HA2 GLY 91 13.437 -4.346 -10.391 714 HA3 GLY 91 HA3 GLY 91 13.534 -6.107 -10.305 715 H THR 92 H THR 92 13.728 -5.707 -13.480 716 HA THR 92 HA THR 92 16.638 -5.864 -13.603 717 HB THR 92 HB THR 92 15.029 -7.323 -14.834 718 HG1 THR 92 HG1 THR 92 17.108 -6.967 -15.679 719 HG21 THR 92 HG21 THR 92 13.746 -6.585 -16.687 720 HG22 THR 92 HG22 THR 92 14.420 -4.937 -16.620 721 HG23 THR 92 HG23 THR 92 13.308 -5.515 -15.360 722 H ILE 93 H ILE 93 14.171 -3.391 -13.885 723 HA ILE 93 HA ILE 93 15.919 -1.512 -15.327 724 HB ILE 93 HB ILE 93 13.035 -1.081 -14.463 725 HG12 ILE 93 HG12 ILE 93 13.910 -2.290 -17.119 726 HG13 ILE 93 HG13 ILE 93 13.027 -3.126 -15.837 727 HG21 ILE 93 HG21 ILE 93 14.515 0.132 -16.833 728 HG22 ILE 93 HG22 ILE 93 12.976 0.650 -16.126 729 HG23 ILE 93 HG23 ILE 93 14.467 0.894 -15.237 730 HD11 ILE 93 HD11 ILE 93 11.963 -0.852 -17.533 731 HD12 ILE 93 HD12 ILE 93 11.451 -2.543 -17.516 732 HD13 ILE 93 HD13 ILE 93 11.139 -1.521 -16.102 733 H GLU 94 H GLU 94 14.159 -1.977 -12.249 734 HA GLU 94 HA GLU 94 15.150 0.567 -11.130 735 HB2 GLU 94 HB2 GLU 94 13.254 -1.578 -10.129 736 HB3 GLU 94 HB3 GLU 94 13.688 -0.135 -9.194 737 HG2 GLU 94 HG2 GLU 94 12.865 1.345 -10.929 738 HG3 GLU 94 HG3 GLU 94 12.490 -0.001 -11.999 739 H GLY 95 H GLY 95 15.821 0.365 -8.721 740 HA2 GLY 95 HA2 GLY 95 17.445 -1.960 -8.070 741 HA3 GLY 95 HA3 GLY 95 18.370 -0.519 -8.489 742 H ARG 96 H ARG 96 18.459 1.191 -7.057 743 HA ARG 96 HA ARG 96 17.545 0.642 -4.319 744 HB2 ARG 96 HB2 ARG 96 19.373 2.796 -5.435 745 HB3 ARG 96 HB3 ARG 96 18.959 2.579 -3.724 746 HG2 ARG 96 HG2 ARG 96 19.836 0.219 -3.936 747 HG3 ARG 96 HG3 ARG 96 20.413 0.626 -5.558 748 HD2 ARG 96 HD2 ARG 96 21.268 1.999 -2.978 749 HD3 ARG 96 HD3 ARG 96 22.186 0.744 -3.807 750 HE ARG 96 HE ARG 96 21.828 3.564 -4.628 751 HH11 ARG 96 HH11 ARG 96 22.973 0.363 -5.783 752 HH12 ARG 96 HH12 ARG 96 24.140 1.084 -6.842 753 HH21 ARG 96 HH21 ARG 96 23.506 4.408 -5.859 754 HH22 ARG 96 HH22 ARG 96 24.396 3.417 -6.949 755 H GLY 97 H GLY 97 15.415 0.762 -4.941 756 HA2 GLY 97 HA2 GLY 97 14.226 3.518 -4.949 757 HA3 GLY 97 HA3 GLY 97 13.570 2.225 -5.960 758 H ASN 98 H ASN 98 14.629 0.935 -2.969 759 HA ASN 98 HA ASN 98 11.883 0.517 -2.088 760 HB2 ASN 98 HB2 ASN 98 14.458 -0.248 -0.724 761 HB3 ASN 98 HB3 ASN 98 12.851 -0.902 -0.405 762 HD21 ASN 98 HD21 ASN 98 12.325 -1.244 -3.521 763 HD22 ASN 98 HD22 ASN 98 13.246 -2.721 -3.746 764 H GLU 99 H GLU 99 12.532 3.329 -1.961 765 HA GLU 99 HA GLU 99 12.179 3.914 0.875 766 HB2 GLU 99 HB2 GLU 99 14.363 5.165 -0.848 767 HB3 GLU 99 HB3 GLU 99 13.723 5.885 0.629 768 HG2 GLU 99 HG2 GLU 99 14.447 3.920 1.945 769 HG3 GLU 99 HG3 GLU 99 15.105 3.178 0.476 770 H PHE 100 H PHE 100 10.861 5.631 1.050 771 HA PHE 100 HA PHE 100 10.111 7.527 -1.002 772 HB2 PHE 100 HB2 PHE 100 9.026 5.384 -1.809 773 HB3 PHE 100 HB3 PHE 100 8.104 5.358 -0.332 774 HD1 PHE 100 HD1 PHE 100 8.212 6.439 -3.710 775 HD2 PHE 100 HD2 PHE 100 6.636 7.576 0.148 776 HE1 PHE 100 HE1 PHE 100 6.316 7.545 -4.816 777 HE2 PHE 100 HE2 PHE 100 4.769 8.683 -0.960 778 HZ PHE 100 HZ PHE 100 4.532 8.653 -3.439 779 H LEU 101 H LEU 101 9.810 9.254 0.361 780 HA LEU 101 HA LEU 101 9.044 8.836 3.172 781 HB2 LEU 101 HB2 LEU 101 9.981 11.257 1.585 782 HB3 LEU 101 HB3 LEU 101 9.246 11.381 3.180 783 HG LEU 101 HG LEU 101 10.983 9.712 4.044 784 HD11 LEU 101 HD11 LEU 101 12.317 10.411 1.393 785 HD12 LEU 101 HD12 LEU 101 11.870 8.778 1.967 786 HD13 LEU 101 HD13 LEU 101 13.138 9.665 2.800 787 HD21 LEU 101 HD21 LEU 101 11.900 12.426 3.012 788 HD22 LEU 101 HD22 LEU 101 12.697 11.473 4.290 789 HD23 LEU 101 HD23 LEU 101 11.064 12.080 4.549 790 H SER 102 H SER 102 7.005 8.824 3.750 791 HA SER 102 HA SER 102 4.908 9.865 1.930 792 HB2 SER 102 HB2 SER 102 5.145 7.327 2.703 793 HB3 SER 102 HB3 SER 102 4.267 7.917 4.124 794 HG SER 102 HG SER 102 3.033 7.119 2.228 795 HA PRO 103 HA PRO 103 4.798 13.065 5.148 796 HB2 PRO 103 HB2 PRO 103 2.167 13.883 4.071 797 HB3 PRO 103 HB3 PRO 103 3.689 14.804 4.186 798 HG2 PRO 103 HG2 PRO 103 2.607 13.780 1.821 799 HG3 PRO 103 HG3 PRO 103 4.333 14.181 2.071 800 HD2 PRO 103 HD2 PRO 103 3.018 11.511 2.025 801 HD3 PRO 103 HD3 PRO 103 4.710 11.982 1.678 802 H GLU 104 H GLU 104 2.875 13.962 6.733 803 HA GLU 104 HA GLU 104 2.118 11.777 8.272 804 HB2 GLU 104 HB2 GLU 104 1.003 14.580 8.327 805 HB3 GLU 104 HB3 GLU 104 0.648 13.319 9.538 806 HG2 GLU 104 HG2 GLU 104 3.048 12.974 9.961 807 HG3 GLU 104 HG3 GLU 104 3.479 14.121 8.691 808 H VAL 105 H VAL 105 0.406 13.249 5.705 809 HA VAL 105 HA VAL 105 -2.149 12.367 5.968 810 HB VAL 105 HB VAL 105 -0.894 13.842 4.303 811 HG11 VAL 105 HG11 VAL 105 -0.781 11.323 2.632 812 HG12 VAL 105 HG12 VAL 105 -0.345 12.975 2.139 813 HG13 VAL 105 HG13 VAL 105 0.608 12.145 3.384 814 HG21 VAL 105 HG21 VAL 105 -3.252 12.142 3.442 815 HG22 VAL 105 HG22 VAL 105 -3.284 13.638 4.400 816 HG23 VAL 105 HG23 VAL 105 -2.768 13.692 2.701 817 H PHE 106 H PHE 106 0.616 10.476 5.458 818 HA PHE 106 HA PHE 106 -0.224 8.081 4.242 819 HB2 PHE 106 HB2 PHE 106 2.101 8.504 4.837 820 HB3 PHE 106 HB3 PHE 106 1.697 8.676 6.540 821 HD1 PHE 106 HD1 PHE 106 1.160 6.082 3.886 822 HD2 PHE 106 HD2 PHE 106 2.486 6.922 7.899 823 HE1 PHE 106 HE1 PHE 106 1.825 3.727 4.170 824 HE2 PHE 106 HE2 PHE 106 3.080 4.537 8.201 825 HZ PHE 106 HZ PHE 106 2.748 2.918 6.320 826 H GLN 107 H GLN 107 -0.463 9.100 7.688 827 HA GLN 107 HA GLN 107 -1.750 6.647 8.535 828 HB2 GLN 107 HB2 GLN 107 -1.392 9.343 9.911 829 HB3 GLN 107 HB3 GLN 107 -2.071 7.892 10.676 830 HG2 GLN 107 HG2 GLN 107 0.024 6.646 10.153 831 HG3 GLN 107 HG3 GLN 107 0.710 8.079 9.421 832 HE21 GLN 107 HE21 GLN 107 2.175 9.068 10.725 833 HE22 GLN 107 HE22 GLN 107 2.030 9.179 12.480 834 H HIS 108 H HIS 108 -2.866 9.799 7.393 835 HA HIS 108 HA HIS 108 -5.602 9.488 8.155 836 HB2 HIS 108 HB2 HIS 108 -4.503 11.040 5.774 837 HB3 HIS 108 HB3 HIS 108 -6.126 11.138 6.407 838 HD1 HIS 108 HD1 HIS 108 -6.468 13.216 7.855 839 HD2 HIS 108 HD2 HIS 108 -2.602 11.572 8.140 840 HE1 HIS 108 HE1 HIS 108 -5.060 14.893 9.131 841 H ILE 109 H ILE 109 -3.778 8.286 5.267 842 HA ILE 109 HA ILE 109 -6.020 7.513 3.759 843 HB ILE 109 HB ILE 109 -3.161 6.467 3.882 844 HG12 ILE 109 HG12 ILE 109 -4.593 8.153 1.766 845 HG13 ILE 109 HG13 ILE 109 -3.660 8.849 3.075 846 HG21 ILE 109 HG21 ILE 109 -3.576 5.323 1.706 847 HG22 ILE 109 HG22 ILE 109 -4.507 4.623 3.020 848 HG23 ILE 109 HG23 ILE 109 -5.309 5.699 1.867 849 HD11 ILE 109 HD11 ILE 109 -1.630 7.635 2.265 850 HD12 ILE 109 HD12 ILE 109 -2.571 7.105 0.848 851 HD13 ILE 109 HD13 ILE 109 -2.287 8.829 1.126 852 H TRP 110 H TRP 110 -4.259 5.842 6.413 853 HA TRP 110 HA TRP 110 -5.773 3.440 6.055 854 HB2 TRP 110 HB2 TRP 110 -4.265 4.331 8.528 855 HB3 TRP 110 HB3 TRP 110 -4.716 2.687 8.070 856 HD1 TRP 110 HD1 TRP 110 -1.721 4.464 8.303 857 HE1 TRP 110 HE1 TRP 110 0.015 3.974 6.487 858 HE3 TRP 110 HE3 TRP 110 -4.718 2.010 4.936 859 HZ2 TRP 110 HZ2 TRP 110 0.064 2.681 3.870 860 HZ3 TRP 110 HZ3 TRP 110 -3.809 1.178 2.843 861 HH2 TRP 110 HH2 TRP 110 -1.405 1.529 2.262 862 H ASP 111 H ASP 111 -6.494 6.421 7.636 863 HA ASP 111 HA ASP 111 -8.395 5.455 9.531 864 HB2 ASP 111 HB2 ASP 111 -7.221 7.735 9.389 865 HB3 ASP 111 HB3 ASP 111 -8.401 8.169 8.156 866 H PHE 112 H PHE 112 -8.798 6.792 6.206 867 HA PHE 112 HA PHE 112 -11.633 6.550 6.287 868 HB2 PHE 112 HB2 PHE 112 -11.690 7.120 4.017 869 HB3 PHE 112 HB3 PHE 112 -10.380 8.038 4.730 870 HD1 PHE 112 HD1 PHE 112 -11.051 4.831 2.779 871 HD2 PHE 112 HD2 PHE 112 -8.313 8.080 3.581 872 HE1 PHE 112 HE1 PHE 112 -9.529 3.963 1.069 873 HE2 PHE 112 HE2 PHE 112 -6.893 7.302 1.767 874 HZ PHE 112 HZ PHE 112 -7.422 5.177 0.554 875 H LEU 113 H LEU 113 -9.270 4.072 5.705 876 HA LEU 113 HA LEU 113 -10.860 2.416 4.028 877 HB2 LEU 113 HB2 LEU 113 -9.213 0.911 4.072 878 HB3 LEU 113 HB3 LEU 113 -8.339 2.324 4.597 879 HG LEU 113 HG LEU 113 -8.747 1.399 7.035 880 HD11 LEU 113 HD11 LEU 113 -9.389 -1.037 5.344 881 HD12 LEU 113 HD12 LEU 113 -10.265 -0.387 6.754 882 HD13 LEU 113 HD13 LEU 113 -8.715 -1.172 6.981 883 HD21 LEU 113 HD21 LEU 113 -6.912 0.151 4.956 884 HD22 LEU 113 HD22 LEU 113 -6.737 -0.123 6.699 885 HD23 LEU 113 HD23 LEU 113 -6.577 1.507 6.055 886 H GLU 114 H GLU 114 -10.827 2.806 7.513 887 HA GLU 114 HA GLU 114 -12.861 0.645 7.774 888 HB2 GLU 114 HB2 GLU 114 -12.306 0.459 10.007 889 HB3 GLU 114 HB3 GLU 114 -10.754 0.732 9.210 890 HG2 GLU 114 HG2 GLU 114 -11.083 3.232 9.830 891 HG3 GLU 114 HG3 GLU 114 -12.384 2.683 10.897 892 H GLN 115 H GLN 115 -12.572 4.150 7.949 893 HA GLN 115 HA GLN 115 -15.027 4.610 9.422 894 HB2 GLN 115 HB2 GLN 115 -13.156 6.291 7.711 895 HB3 GLN 115 HB3 GLN 115 -14.625 6.978 8.374 896 HG2 GLN 115 HG2 GLN 115 -13.935 6.337 10.664 897 HG3 GLN 115 HG3 GLN 115 -12.423 5.688 10.029 898 HE21 GLN 115 HE21 GLN 115 -12.151 7.563 11.920 899 HE22 GLN 115 HE22 GLN 115 -11.513 8.996 11.137 900 HA PRO 116 HA PRO 116 -17.849 4.267 6.064 901 HB2 PRO 116 HB2 PRO 116 -19.877 6.031 6.587 902 HB3 PRO 116 HB3 PRO 116 -19.486 4.639 7.636 903 HG2 PRO 116 HG2 PRO 116 -18.636 7.520 7.971 904 HG3 PRO 116 HG3 PRO 116 -19.317 6.390 9.198 905 HD2 PRO 116 HD2 PRO 116 -16.634 6.886 8.909 906 HD3 PRO 116 HD3 PRO 116 -17.268 5.329 9.484 907 H ILE 117 H ILE 117 -15.605 5.945 5.431 908 HA ILE 117 HA ILE 117 -16.611 8.034 3.586 909 HB ILE 117 HB ILE 117 -13.843 7.027 4.343 910 HG12 ILE 117 HG12 ILE 117 -15.199 9.689 4.970 911 HG13 ILE 117 HG13 ILE 117 -15.116 8.333 6.090 912 HG21 ILE 117 HG21 ILE 117 -12.925 8.951 3.044 913 HG22 ILE 117 HG22 ILE 117 -13.803 7.852 1.990 914 HG23 ILE 117 HG23 ILE 117 -14.551 9.370 2.516 915 HD11 ILE 117 HD11 ILE 117 -12.740 9.918 5.057 916 HD12 ILE 117 HD12 ILE 117 -13.416 9.870 6.694 917 HD13 ILE 117 HD13 ILE 117 -12.636 8.438 6.046 918 H SER 118 H SER 118 -17.012 7.501 1.443 919 HA SER 118 HA SER 118 -15.732 5.044 0.301 920 HB2 SER 118 HB2 SER 118 -17.957 4.440 -0.639 921 HB3 SER 118 HB3 SER 118 -17.885 4.376 1.132 922 HG SER 118 HG SER 118 -19.772 5.406 0.198 923 H SER 119 H SER 119 -16.373 8.347 -0.165 924 HA SER 119 HA SER 119 -16.105 8.134 -3.124 925 HB2 SER 119 HB2 SER 119 -17.499 10.135 -1.321 926 HB3 SER 119 HB3 SER 119 -17.285 10.340 -3.066 927 HG SER 119 HG SER 119 -18.629 8.156 -1.810 928 H VAL 120 H VAL 120 -13.945 8.264 -3.376 929 HA VAL 120 HA VAL 120 -12.676 10.825 -2.598 930 HB VAL 120 HB VAL 120 -11.830 9.453 -0.964 931 HG11 VAL 120 HG11 VAL 120 -10.648 7.318 -1.314 932 HG12 VAL 120 HG12 VAL 120 -12.365 7.209 -1.705 933 HG13 VAL 120 HG13 VAL 120 -11.171 7.314 -3.015 934 HG21 VAL 120 HG21 VAL 120 -10.244 10.913 -2.285 935 HG22 VAL 120 HG22 VAL 120 -9.490 9.631 -1.351 936 HG23 VAL 120 HG23 VAL 120 -9.670 9.447 -3.104 937 H GLN 121 H GLN 121 -13.099 11.677 -4.546 938 HA GLN 121 HA GLN 121 -11.566 10.538 -6.816 939 HB2 GLN 121 HB2 GLN 121 -13.945 9.819 -6.948 940 HB3 GLN 121 HB3 GLN 121 -14.431 11.520 -7.040 941 HG2 GLN 121 HG2 GLN 121 -13.070 11.765 -9.137 942 HG3 GLN 121 HG3 GLN 121 -12.566 10.081 -8.975 943 HE21 GLN 121 HE21 GLN 121 -15.426 12.204 -9.452 944 HE22 GLN 121 HE22 GLN 121 -16.400 11.000 -10.266 945 HA PRO 122 HA PRO 122 -10.820 15.094 -6.424 946 HB2 PRO 122 HB2 PRO 122 -8.108 15.087 -6.133 947 HB3 PRO 122 HB3 PRO 122 -9.198 14.796 -4.748 948 HG2 PRO 122 HG2 PRO 122 -7.683 12.755 -6.373 949 HG3 PRO 122 HG3 PRO 122 -7.925 12.835 -4.603 950 HD2 PRO 122 HD2 PRO 122 -9.440 11.291 -6.356 951 HD3 PRO 122 HD3 PRO 122 -10.014 11.856 -4.753 952 H ILE 123 H ILE 123 -11.538 15.152 -8.575 953 HA ILE 123 HA ILE 123 -10.529 13.919 -10.827 954 HB ILE 123 HB ILE 123 -11.597 15.688 -12.142 955 HG12 ILE 123 HG12 ILE 123 -12.063 17.150 -9.494 956 HG13 ILE 123 HG13 ILE 123 -10.988 17.677 -10.792 957 HG21 ILE 123 HG21 ILE 123 -12.869 13.806 -11.053 958 HG22 ILE 123 HG22 ILE 123 -13.304 14.910 -9.730 959 HG23 ILE 123 HG23 ILE 123 -13.851 15.226 -11.388 960 HD11 ILE 123 HD11 ILE 123 -12.997 18.944 -10.944 961 HD12 ILE 123 HD12 ILE 123 -12.943 17.841 -12.334 962 HD13 ILE 123 HD13 ILE 123 -14.005 17.495 -10.944 963 H ASP 124 H ASP 124 -9.244 16.910 -9.363 964 HA ASP 124 HA ASP 124 -6.691 16.654 -10.728 965 HB2 ASP 124 HB2 ASP 124 -8.550 19.068 -10.886 966 HB3 ASP 124 HB3 ASP 124 -6.799 19.235 -10.932 Start of MODEL 4 1 H1 ALA 1 H ALA 1 28.251 13.442 9.796 2 HA ALA 1 HA ALA 1 25.345 14.036 9.797 3 HB1 ALA 1 HB1 ALA 1 26.407 15.199 7.938 4 HB2 ALA 1 HB2 ALA 1 27.225 13.706 7.419 5 HB3 ALA 1 HB3 ALA 1 25.458 13.835 7.325 6 H THR 2 H THR 2 24.698 12.173 10.937 7 HA THR 2 HA THR 2 25.215 9.588 9.588 8 HB THR 2 HB THR 2 25.157 9.954 12.601 9 HG1 THR 2 HG1 THR 2 27.454 9.601 10.955 10 HG21 THR 2 HG21 THR 2 24.564 7.702 11.801 11 HG22 THR 2 HG22 THR 2 26.130 7.699 12.632 12 HG23 THR 2 HG23 THR 2 26.071 7.625 10.863 13 H GLN 3 H GLN 3 23.228 9.764 8.564 14 HA GLN 3 HA GLN 3 20.818 10.763 9.646 15 HB2 GLN 3 HB2 GLN 3 21.506 8.763 7.463 16 HB3 GLN 3 HB3 GLN 3 19.843 9.148 7.846 17 HG2 GLN 3 HG2 GLN 3 21.947 11.146 6.968 18 HG3 GLN 3 HG3 GLN 3 20.668 10.488 5.955 19 HE21 GLN 3 HE21 GLN 3 18.359 10.632 7.464 20 HE22 GLN 3 HE22 GLN 3 18.053 12.300 7.908 21 H SER 4 H SER 4 19.128 9.895 10.803 22 HA SER 4 HA SER 4 19.625 7.700 12.510 23 HB2 SER 4 HB2 SER 4 16.955 8.927 11.654 24 HB3 SER 4 HB3 SER 4 17.238 7.931 13.091 25 HG SER 4 HG SER 4 17.253 10.025 13.699 26 HA PRO 5 HA PRO 5 18.420 4.352 9.813 27 HB2 PRO 5 HB2 PRO 5 17.787 2.353 11.576 28 HB3 PRO 5 HB3 PRO 5 19.447 2.979 11.327 29 HG2 PRO 5 HG2 PRO 5 17.522 3.662 13.535 30 HG3 PRO 5 HG3 PRO 5 19.264 3.291 13.648 31 HD2 PRO 5 HD2 PRO 5 18.227 5.864 13.587 32 HD3 PRO 5 HD3 PRO 5 19.856 5.445 12.981 33 H GLY 6 H GLY 6 16.417 2.665 9.679 34 HA2 GLY 6 HA2 GLY 6 13.976 4.362 9.815 35 HA3 GLY 6 HA3 GLY 6 14.301 3.095 8.651 36 H ASP 7 H ASP 7 14.931 2.423 12.149 37 HA ASP 7 HA ASP 7 13.095 0.176 11.945 38 HB2 ASP 7 HB2 ASP 7 15.014 0.116 13.472 39 HB3 ASP 7 HB3 ASP 7 14.252 1.355 14.487 40 H SER 8 H SER 8 12.983 3.413 13.462 41 HA SER 8 HA SER 8 10.440 3.258 14.597 42 HB2 SER 8 HB2 SER 8 11.704 5.707 13.322 43 HB3 SER 8 HB3 SER 8 10.558 5.651 14.685 44 HG SER 8 HG SER 8 12.733 5.904 15.375 45 H ARG 9 H ARG 9 11.354 3.636 11.245 46 HA ARG 9 HA ARG 9 8.686 4.473 10.313 47 HB2 ARG 9 HB2 ARG 9 11.089 3.569 8.678 48 HB3 ARG 9 HB3 ARG 9 9.638 4.358 8.079 49 HG2 ARG 9 HG2 ARG 9 11.809 5.588 9.825 50 HG3 ARG 9 HG3 ARG 9 11.474 5.912 8.126 51 HD2 ARG 9 HD2 ARG 9 9.222 6.828 8.789 52 HD3 ARG 9 HD3 ARG 9 9.687 6.647 10.484 53 HE ARG 9 HE ARG 9 10.574 8.631 8.548 54 HH11 ARG 9 HH11 ARG 9 11.119 7.529 11.876 55 HH12 ARG 9 HH12 ARG 9 12.605 8.406 12.072 56 HH21 ARG 9 HH21 ARG 9 12.199 10.154 9.009 57 HH22 ARG 9 HH22 ARG 9 13.058 10.101 10.504 58 H ARG 10 H ARG 10 10.836 1.603 9.901 59 HA ARG 10 HA ARG 10 9.056 -0.047 8.655 60 HB2 ARG 10 HB2 ARG 10 10.612 -1.690 8.838 61 HB3 ARG 10 HB3 ARG 10 11.611 -0.339 9.262 62 HG2 ARG 10 HG2 ARG 10 11.266 -0.979 11.703 63 HG3 ARG 10 HG3 ARG 10 10.347 -2.368 11.169 64 HD2 ARG 10 HD2 ARG 10 12.935 -2.233 9.799 65 HD3 ARG 10 HD3 ARG 10 13.161 -2.162 11.537 66 HE ARG 10 HE ARG 10 12.268 -4.389 9.932 67 HH11 ARG 10 HH11 ARG 10 12.480 -3.160 13.326 68 HH12 ARG 10 HH12 ARG 10 12.044 -4.712 13.976 69 HH21 ARG 10 HH21 ARG 10 11.725 -6.392 10.911 70 HH22 ARG 10 HH22 ARG 10 11.645 -6.527 12.647 71 H LEU 11 H LEU 11 9.367 0.190 12.216 72 HA LEU 11 HA LEU 11 7.497 -1.839 12.763 73 HB2 LEU 11 HB2 LEU 11 7.410 -1.035 14.984 74 HB3 LEU 11 HB3 LEU 11 9.027 -0.703 14.393 75 HG LEU 11 HG LEU 11 7.974 1.704 13.852 76 HD11 LEU 11 HD11 LEU 11 5.616 1.198 14.645 77 HD12 LEU 11 HD12 LEU 11 6.395 2.442 15.609 78 HD13 LEU 11 HD13 LEU 11 6.272 0.788 16.228 79 HD21 LEU 11 HD21 LEU 11 8.776 2.497 15.990 80 HD22 LEU 11 HD22 LEU 11 9.847 1.199 15.402 81 HD23 LEU 11 HD23 LEU 11 8.657 0.869 16.677 82 H SER 12 H SER 12 6.933 1.507 11.800 83 HA SER 12 HA SER 12 4.118 1.479 12.526 84 HB2 SER 12 HB2 SER 12 5.825 3.409 12.596 85 HB3 SER 12 HB3 SER 12 5.646 3.498 10.839 86 HG SER 12 HG SER 12 3.684 3.876 12.862 87 H ILE 13 H ILE 13 6.002 1.667 9.462 88 HA ILE 13 HA ILE 13 3.867 1.560 7.678 89 HB ILE 13 HB ILE 13 6.796 0.780 7.529 90 HG12 ILE 13 HG12 ILE 13 5.300 3.038 6.121 91 HG13 ILE 13 HG13 ILE 13 5.913 3.217 7.766 92 HG21 ILE 13 HG21 ILE 13 6.516 0.774 4.998 93 HG22 ILE 13 HG22 ILE 13 5.856 -0.623 5.840 94 HG23 ILE 13 HG23 ILE 13 4.770 0.665 5.293 95 HD11 ILE 13 HD11 ILE 13 7.612 2.676 5.302 96 HD12 ILE 13 HD12 ILE 13 7.526 4.157 6.265 97 HD13 ILE 13 HD13 ILE 13 8.205 2.686 6.981 98 H GLN 14 H GLN 14 5.704 -1.332 8.995 99 HA GLN 14 HA GLN 14 4.336 -3.132 7.428 100 HB2 GLN 14 HB2 GLN 14 6.436 -3.326 9.044 101 HB3 GLN 14 HB3 GLN 14 5.232 -3.904 10.216 102 HG2 GLN 14 HG2 GLN 14 4.504 -5.623 8.594 103 HG3 GLN 14 HG3 GLN 14 5.568 -4.887 7.369 104 HE21 GLN 14 HE21 GLN 14 6.557 -6.979 7.067 105 HE22 GLN 14 HE22 GLN 14 7.941 -7.381 8.054 106 H ARG 15 H ARG 15 3.178 -1.548 10.370 107 HA ARG 15 HA ARG 15 1.202 -3.453 11.066 108 HB2 ARG 15 HB2 ARG 15 1.409 -0.467 11.532 109 HB3 ARG 15 HB3 ARG 15 0.069 -1.414 12.146 110 HG2 ARG 15 HG2 ARG 15 1.429 -2.754 13.529 111 HG3 ARG 15 HG3 ARG 15 2.896 -2.381 12.641 112 HD2 ARG 15 HD2 ARG 15 2.898 -1.291 14.832 113 HD3 ARG 15 HD3 ARG 15 2.970 -0.137 13.487 114 HE ARG 15 HE ARG 15 0.259 -0.449 14.230 115 HH11 ARG 15 HH11 ARG 15 3.250 0.971 15.527 116 HH12 ARG 15 HH12 ARG 15 2.418 2.353 16.180 117 HH21 ARG 15 HH21 ARG 15 -0.761 1.262 15.117 118 HH22 ARG 15 HH22 ARG 15 0.112 2.553 15.940 119 H ALA 16 H ALA 16 1.220 -1.103 8.470 120 HA ALA 16 HA ALA 16 -1.683 -1.388 7.938 121 HB1 ALA 16 HB1 ALA 16 -1.099 -0.124 5.854 122 HB2 ALA 16 HB2 ALA 16 -0.656 0.746 7.325 123 HB3 ALA 16 HB3 ALA 16 0.601 -0.075 6.373 124 H ILE 17 H ILE 17 1.446 -2.308 6.497 125 HA ILE 17 HA ILE 17 0.545 -3.802 4.355 126 HB ILE 17 HB ILE 17 3.085 -4.175 5.954 127 HG12 ILE 17 HG12 ILE 17 2.478 -2.564 3.414 128 HG13 ILE 17 HG13 ILE 17 2.704 -1.870 5.016 129 HG21 ILE 17 HG21 ILE 17 4.022 -5.238 3.926 130 HG22 ILE 17 HG22 ILE 17 2.662 -6.155 4.519 131 HG23 ILE 17 HG23 ILE 17 2.452 -5.084 3.112 132 HD11 ILE 17 HD11 ILE 17 5.003 -2.863 5.076 133 HD12 ILE 17 HD12 ILE 17 4.791 -3.276 3.352 134 HD13 ILE 17 HD13 ILE 17 4.772 -1.600 3.852 135 H GLN 18 H GLN 18 0.905 -4.996 7.724 136 HA GLN 18 HA GLN 18 0.652 -7.728 7.193 137 HB2 GLN 18 HB2 GLN 18 0.099 -7.978 9.500 138 HB3 GLN 18 HB3 GLN 18 1.153 -6.567 9.393 139 HG2 GLN 18 HG2 GLN 18 -1.030 -5.181 9.311 140 HG3 GLN 18 HG3 GLN 18 -1.871 -6.659 9.748 141 HE21 GLN 18 HE21 GLN 18 -2.616 -6.022 11.757 142 HE22 GLN 18 HE22 GLN 18 -1.539 -5.689 13.114 143 H SER 19 H SER 19 -1.890 -5.259 7.259 144 HA SER 19 HA SER 19 -4.071 -7.183 7.073 145 HB2 SER 19 HB2 SER 19 -4.146 -4.159 6.684 146 HB3 SER 19 HB3 SER 19 -5.468 -5.223 7.164 147 HG SER 19 HG SER 19 -4.164 -5.633 9.138 148 H LEU 20 H LEU 20 -2.210 -5.004 4.996 149 HA LEU 20 HA LEU 20 -3.823 -5.100 2.650 150 HB2 LEU 20 HB2 LEU 20 -2.106 -3.356 3.125 151 HB3 LEU 20 HB3 LEU 20 -0.853 -4.593 3.019 152 HG LEU 20 HG LEU 20 -1.341 -4.961 0.632 153 HD11 LEU 20 HD11 LEU 20 -2.752 -3.341 -0.598 154 HD12 LEU 20 HD12 LEU 20 -3.281 -2.620 0.936 155 HD13 LEU 20 HD13 LEU 20 -3.717 -4.301 0.527 156 HD21 LEU 20 HD21 LEU 20 -0.358 -2.861 -0.142 157 HD22 LEU 20 HD22 LEU 20 0.386 -3.359 1.379 158 HD23 LEU 20 HD23 LEU 20 -0.814 -2.053 1.375 159 H VAL 21 H VAL 21 -0.791 -6.913 3.476 160 HA VAL 21 HA VAL 21 -0.672 -8.421 1.092 161 HB VAL 21 HB VAL 21 0.304 -9.057 3.911 162 HG11 VAL 21 HG11 VAL 21 1.857 -10.685 2.808 163 HG12 VAL 21 HG12 VAL 21 0.171 -11.184 2.665 164 HG13 VAL 21 HG13 VAL 21 0.988 -10.450 1.274 165 HG21 VAL 21 HG21 VAL 21 2.463 -8.305 3.093 166 HG22 VAL 21 HG22 VAL 21 1.836 -8.107 1.448 167 HG23 VAL 21 HG23 VAL 21 1.278 -7.035 2.740 168 H HIS 22 H HIS 22 -2.227 -9.235 4.251 169 HA HIS 22 HA HIS 22 -3.269 -11.700 3.500 170 HB2 HIS 22 HB2 HIS 22 -3.374 -10.934 5.791 171 HB3 HIS 22 HB3 HIS 22 -4.385 -9.559 5.356 172 HD1 HIS 22 HD1 HIS 22 -4.669 -13.459 5.526 173 HD2 HIS 22 HD2 HIS 22 -7.015 -9.957 5.015 174 HE1 HIS 22 HE1 HIS 22 -7.081 -14.162 5.459 175 H ALA 23 H ALA 23 -4.872 -8.450 3.174 176 HA ALA 23 HA ALA 23 -7.218 -9.442 1.936 177 HB1 ALA 23 HB1 ALA 23 -7.027 -7.211 2.939 178 HB2 ALA 23 HB2 ALA 23 -5.886 -6.713 1.666 179 HB3 ALA 23 HB3 ALA 23 -7.568 -7.100 1.250 180 H ALA 24 H ALA 24 -4.056 -8.684 0.557 181 HA ALA 24 HA ALA 24 -4.914 -8.628 -2.187 182 HB1 ALA 24 HB1 ALA 24 -2.115 -9.195 -1.093 183 HB2 ALA 24 HB2 ALA 24 -2.544 -8.600 -2.703 184 HB3 ALA 24 HB3 ALA 24 -2.794 -7.569 -1.278 185 H GLN 25 H GLN 25 -4.066 -11.246 0.045 186 HA GLN 25 HA GLN 25 -4.140 -13.204 -2.202 187 HB2 GLN 25 HB2 GLN 25 -2.718 -14.618 -1.006 188 HB3 GLN 25 HB3 GLN 25 -1.987 -13.030 -0.979 189 HG2 GLN 25 HG2 GLN 25 -2.607 -12.695 1.343 190 HG3 GLN 25 HG3 GLN 25 -3.578 -14.160 1.364 191 HE21 GLN 25 HE21 GLN 25 -2.421 -16.279 0.996 192 HE22 GLN 25 HE22 GLN 25 -0.847 -16.410 1.754 193 H CYS 26 H CYS 26 -6.261 -11.930 -0.247 194 HA CYS 26 HA CYS 26 -7.452 -14.190 1.112 195 HB2 CYS 26 HB2 CYS 26 -7.636 -12.049 2.073 196 HB3 CYS 26 HB3 CYS 26 -8.225 -11.314 0.574 197 H ARG 27 H ARG 27 -7.633 -15.719 -0.574 198 HA ARG 27 HA ARG 27 -10.080 -15.452 -2.185 199 HB2 ARG 27 HB2 ARG 27 -7.356 -16.098 -3.444 200 HB3 ARG 27 HB3 ARG 27 -8.922 -16.355 -4.211 201 HG2 ARG 27 HG2 ARG 27 -9.340 -13.842 -3.960 202 HG3 ARG 27 HG3 ARG 27 -7.648 -13.702 -3.461 203 HD2 ARG 27 HD2 ARG 27 -7.742 -13.182 -5.782 204 HD3 ARG 27 HD3 ARG 27 -6.977 -14.766 -5.637 205 HE ARG 27 HE ARG 27 -9.246 -15.741 -6.149 206 HH11 ARG 27 HH11 ARG 27 -8.537 -12.456 -7.390 207 HH12 ARG 27 HH12 ARG 27 -9.899 -12.480 -8.458 208 HH21 ARG 27 HH21 ARG 27 -10.868 -15.776 -7.559 209 HH22 ARG 27 HH22 ARG 27 -11.281 -14.429 -8.573 210 H ASN 28 H ASN 28 -10.653 -16.866 -0.362 211 HA ASN 28 HA ASN 28 -10.350 -19.666 -0.979 212 HB2 ASN 28 HB2 ASN 28 -8.190 -19.253 0.221 213 HB3 ASN 28 HB3 ASN 28 -9.073 -18.516 1.566 214 HD21 ASN 28 HD21 ASN 28 -8.558 -20.136 3.186 215 HD22 ASN 28 HD22 ASN 28 -9.069 -21.819 2.964 216 H ALA 29 H ALA 29 -12.125 -20.773 0.078 217 HA ALA 29 HA ALA 29 -14.218 -19.123 1.056 218 HB1 ALA 29 HB1 ALA 29 -15.355 -21.242 1.561 219 HB2 ALA 29 HB2 ALA 29 -14.571 -21.326 -0.026 220 HB3 ALA 29 HB3 ALA 29 -13.831 -22.131 1.376 221 H ASN 30 H ASN 30 -11.562 -20.734 2.782 222 HA ASN 30 HA ASN 30 -12.911 -20.474 5.383 223 HB2 ASN 30 HB2 ASN 30 -9.965 -20.988 5.168 224 HB3 ASN 30 HB3 ASN 30 -11.104 -21.537 6.376 225 HD21 ASN 30 HD21 ASN 30 -13.112 -22.819 4.668 226 HD22 ASN 30 HD22 ASN 30 -12.273 -24.143 3.874 227 H CYS 31 H CYS 31 -11.293 -18.224 3.393 228 HA CYS 31 HA CYS 31 -9.780 -16.847 5.468 229 HB2 CYS 31 HB2 CYS 31 -9.311 -16.742 2.940 230 HB3 CYS 31 HB3 CYS 31 -10.797 -15.782 2.799 231 H SER 32 H SER 32 -10.808 -15.781 7.074 232 HA SER 32 HA SER 32 -13.199 -14.158 6.501 233 HB2 SER 32 HB2 SER 32 -13.179 -16.348 8.594 234 HB3 SER 32 HB3 SER 32 -14.434 -15.103 8.411 235 HG SER 32 HG SER 32 -13.794 -16.452 6.085 236 H LEU 33 H LEU 33 -11.918 -12.285 6.875 237 HA LEU 33 HA LEU 33 -11.033 -11.960 9.706 238 HB2 LEU 33 HB2 LEU 33 -9.411 -11.614 7.228 239 HB3 LEU 33 HB3 LEU 33 -9.391 -10.232 8.305 240 HG LEU 33 HG LEU 33 -8.827 -11.886 10.212 241 HD11 LEU 33 HD11 LEU 33 -9.274 -13.994 9.003 242 HD12 LEU 33 HD12 LEU 33 -7.603 -13.910 9.505 243 HD13 LEU 33 HD13 LEU 33 -8.047 -13.593 7.799 244 HD21 LEU 33 HD21 LEU 33 -6.434 -11.720 9.699 245 HD22 LEU 33 HD22 LEU 33 -7.263 -10.223 9.292 246 HD23 LEU 33 HD23 LEU 33 -6.808 -11.352 7.996 247 HA PRO 34 HA PRO 34 -13.520 -8.300 9.538 248 HB2 PRO 34 HB2 PRO 34 -12.408 -6.747 11.517 249 HB3 PRO 34 HB3 PRO 34 -13.406 -8.193 11.820 250 HG2 PRO 34 HG2 PRO 34 -10.395 -7.960 11.823 251 HG3 PRO 34 HG3 PRO 34 -11.434 -8.840 12.977 252 HD2 PRO 34 HD2 PRO 34 -10.103 -10.049 10.910 253 HD3 PRO 34 HD3 PRO 34 -11.677 -10.647 11.497 254 H SER 35 H SER 35 -10.058 -7.379 10.040 255 HA SER 35 HA SER 35 -10.050 -4.948 8.735 256 HB2 SER 35 HB2 SER 35 -7.566 -5.415 8.505 257 HB3 SER 35 HB3 SER 35 -8.224 -5.620 10.127 258 HG SER 35 HG SER 35 -7.242 -7.526 8.345 259 H CYS 36 H CYS 36 -9.613 -8.174 7.385 260 HA CYS 36 HA CYS 36 -8.725 -7.642 4.829 261 HB2 CYS 36 HB2 CYS 36 -9.028 -9.873 5.965 262 HB3 CYS 36 HB3 CYS 36 -10.742 -9.796 5.567 263 H GLN 37 H GLN 37 -12.192 -8.073 5.673 264 HA GLN 37 HA GLN 37 -13.199 -7.269 3.167 265 HB2 GLN 37 HB2 GLN 37 -14.502 -6.977 5.903 266 HB3 GLN 37 HB3 GLN 37 -15.347 -6.812 4.358 267 HG2 GLN 37 HG2 GLN 37 -13.920 -9.329 5.289 268 HG3 GLN 37 HG3 GLN 37 -15.659 -9.046 5.387 269 HE21 GLN 37 HE21 GLN 37 -16.938 -9.369 3.613 270 HE22 GLN 37 HE22 GLN 37 -16.350 -9.831 2.024 271 H LYS 38 H LYS 38 -12.201 -5.189 5.896 272 HA LYS 38 HA LYS 38 -13.328 -2.784 4.699 273 HB2 LYS 38 HB2 LYS 38 -10.984 -2.976 6.639 274 HB3 LYS 38 HB3 LYS 38 -11.996 -1.579 6.302 275 HG2 LYS 38 HG2 LYS 38 -13.043 -4.129 7.596 276 HG3 LYS 38 HG3 LYS 38 -12.387 -2.774 8.497 277 HD2 LYS 38 HD2 LYS 38 -14.148 -1.288 7.692 278 HD3 LYS 38 HD3 LYS 38 -14.822 -2.574 6.669 279 HE2 LYS 38 HE2 LYS 38 -15.205 -3.981 8.701 280 HE3 LYS 38 HE3 LYS 38 -14.457 -2.726 9.686 281 HZ1 LYS 38 HZ1 LYS 38 -16.277 -1.237 8.986 282 HZ2 LYS 38 HZ2 LYS 38 -16.759 -2.489 9.904 283 HZ3 LYS 38 HZ3 LYS 38 -17.059 -2.510 8.290 284 H MET 39 H MET 39 -10.081 -4.319 4.715 285 HA MET 39 HA MET 39 -8.755 -2.415 3.110 286 HB2 MET 39 HB2 MET 39 -8.241 -5.377 3.540 287 HB3 MET 39 HB3 MET 39 -7.188 -4.356 2.564 288 HG2 MET 39 HG2 MET 39 -7.823 -3.955 5.503 289 HG3 MET 39 HG3 MET 39 -6.339 -4.634 4.853 290 HE1 MET 39 HE1 MET 39 -4.348 -3.214 3.896 291 HE2 MET 39 HE2 MET 39 -5.396 -2.824 2.506 292 HE3 MET 39 HE3 MET 39 -4.506 -1.536 3.349 293 H LYS 40 H LYS 40 -10.859 -5.114 2.143 294 HA LYS 40 HA LYS 40 -10.224 -5.238 -0.604 295 HB2 LYS 40 HB2 LYS 40 -12.591 -5.847 1.094 296 HB3 LYS 40 HB3 LYS 40 -12.985 -5.510 -0.591 297 HG2 LYS 40 HG2 LYS 40 -12.746 -7.843 -0.385 298 HG3 LYS 40 HG3 LYS 40 -11.348 -7.269 -1.300 299 HD2 LYS 40 HD2 LYS 40 -9.937 -7.422 0.710 300 HD3 LYS 40 HD3 LYS 40 -11.353 -7.819 1.696 301 HE2 LYS 40 HE2 LYS 40 -10.431 -9.601 -0.572 302 HE3 LYS 40 HE3 LYS 40 -9.830 -9.735 1.084 303 HZ1 LYS 40 HZ1 LYS 40 -12.173 -9.959 1.812 304 HZ2 LYS 40 HZ2 LYS 40 -11.596 -11.200 0.936 305 HZ3 LYS 40 HZ3 LYS 40 -12.643 -10.096 0.263 306 H ARG 41 H ARG 41 -12.026 -2.717 1.150 307 HA ARG 41 HA ARG 41 -13.186 -1.474 -1.160 308 HB2 ARG 41 HB2 ARG 41 -13.838 -1.255 1.342 309 HB3 ARG 41 HB3 ARG 41 -12.452 -0.194 1.505 310 HG2 ARG 41 HG2 ARG 41 -14.166 1.326 1.187 311 HG3 ARG 41 HG3 ARG 41 -13.565 1.161 -0.470 312 HD2 ARG 41 HD2 ARG 41 -15.394 -0.611 -0.800 313 HD3 ARG 41 HD3 ARG 41 -15.983 -0.190 0.803 314 HE ARG 41 HE ARG 41 -16.800 1.818 0.048 315 HH11 ARG 41 HH11 ARG 41 -15.208 0.152 -2.703 316 HH12 ARG 41 HH12 ARG 41 -15.476 1.491 -3.771 317 HH21 ARG 41 HH21 ARG 41 -16.956 3.614 -1.470 318 HH22 ARG 41 HH22 ARG 41 -16.488 3.312 -3.105 319 H VAL 42 H VAL 42 -10.210 -0.789 0.746 320 HA VAL 42 HA VAL 42 -9.371 1.334 -0.947 321 HB VAL 42 HB VAL 42 -8.813 0.572 1.565 322 HG11 VAL 42 HG11 VAL 42 -6.500 -0.008 1.918 323 HG12 VAL 42 HG12 VAL 42 -7.304 -1.314 1.063 324 HG13 VAL 42 HG13 VAL 42 -6.229 -0.207 0.176 325 HG21 VAL 42 HG21 VAL 42 -6.981 2.198 -0.211 326 HG22 VAL 42 HG22 VAL 42 -8.471 2.776 0.583 327 HG23 VAL 42 HG23 VAL 42 -7.080 2.307 1.567 328 H VAL 43 H VAL 43 -8.510 -2.068 -0.768 329 HA VAL 43 HA VAL 43 -6.543 -2.086 -2.798 330 HB VAL 43 HB VAL 43 -8.401 -4.310 -1.853 331 HG11 VAL 43 HG11 VAL 43 -6.878 -5.908 -2.970 332 HG12 VAL 43 HG12 VAL 43 -7.793 -4.925 -4.108 333 HG13 VAL 43 HG13 VAL 43 -6.088 -4.545 -3.808 334 HG21 VAL 43 HG21 VAL 43 -5.423 -3.809 -1.439 335 HG22 VAL 43 HG22 VAL 43 -6.680 -3.438 -0.246 336 HG23 VAL 43 HG23 VAL 43 -6.390 -5.117 -0.721 337 H GLN 44 H GLN 44 -10.124 -2.279 -3.122 338 HA GLN 44 HA GLN 44 -9.997 -2.501 -6.007 339 HB2 GLN 44 HB2 GLN 44 -12.236 -2.039 -4.021 340 HB3 GLN 44 HB3 GLN 44 -12.497 -1.950 -5.766 341 HG2 GLN 44 HG2 GLN 44 -11.696 -4.212 -6.115 342 HG3 GLN 44 HG3 GLN 44 -11.204 -4.369 -4.427 343 HE21 GLN 44 HE21 GLN 44 -12.975 -4.131 -2.788 344 HE22 GLN 44 HE22 GLN 44 -14.554 -4.829 -3.196 345 H HIS 45 H HIS 45 -9.866 0.278 -3.754 346 HA HIS 45 HA HIS 45 -10.895 2.240 -5.521 347 HB2 HIS 45 HB2 HIS 45 -10.506 3.005 -3.313 348 HB3 HIS 45 HB3 HIS 45 -8.838 2.449 -3.303 349 HD1 HIS 45 HD1 HIS 45 -10.895 5.458 -4.571 350 HD2 HIS 45 HD2 HIS 45 -6.944 3.943 -4.504 351 HE1 HIS 45 HE1 HIS 45 -9.372 7.281 -5.446 352 H THR 46 H THR 46 -7.434 1.157 -5.125 353 HA THR 46 HA THR 46 -6.571 2.789 -7.274 354 HB THR 46 HB THR 46 -5.232 1.772 -5.461 355 HG1 THR 46 HG1 THR 46 -4.276 2.855 -7.043 356 HG21 THR 46 HG21 THR 46 -5.158 -0.611 -7.333 357 HG22 THR 46 HG22 THR 46 -6.000 -0.527 -5.773 358 HG23 THR 46 HG23 THR 46 -4.241 -0.379 -5.802 359 H LYS 47 H LYS 47 -8.344 -0.220 -7.502 360 HA LYS 47 HA LYS 47 -7.481 -0.683 -10.284 361 HB2 LYS 47 HB2 LYS 47 -8.115 -2.611 -9.028 362 HB3 LYS 47 HB3 LYS 47 -9.662 -1.920 -8.535 363 HG2 LYS 47 HG2 LYS 47 -10.596 -2.076 -10.691 364 HG3 LYS 47 HG3 LYS 47 -9.039 -2.249 -11.490 365 HD2 LYS 47 HD2 LYS 47 -10.251 -4.353 -9.654 366 HD3 LYS 47 HD3 LYS 47 -10.429 -4.343 -11.409 367 HE2 LYS 47 HE2 LYS 47 -7.783 -4.531 -9.916 368 HE3 LYS 47 HE3 LYS 47 -8.639 -5.859 -10.704 369 HZ1 LYS 47 HZ1 LYS 47 -8.399 -4.585 -12.829 370 HZ2 LYS 47 HZ2 LYS 47 -6.965 -5.067 -12.162 371 HZ3 LYS 47 HZ3 LYS 47 -7.443 -3.509 -12.050 372 H GLY 48 H GLY 48 -10.259 0.837 -8.618 373 HA2 GLY 48 HA2 GLY 48 -11.501 1.509 -11.224 374 HA3 GLY 48 HA3 GLY 48 -12.203 1.676 -9.633 375 H CYS 49 H CYS 49 -9.224 3.107 -9.208 376 HA CYS 49 HA CYS 49 -10.415 5.724 -9.238 377 HB2 CYS 49 HB2 CYS 49 -8.634 4.836 -7.674 378 HB3 CYS 49 HB3 CYS 49 -7.458 5.187 -8.989 379 H LYS 50 H LYS 50 -10.745 6.971 -10.893 380 HA LYS 50 HA LYS 50 -9.600 6.563 -13.524 381 HB2 LYS 50 HB2 LYS 50 -10.997 9.002 -12.335 382 HB3 LYS 50 HB3 LYS 50 -10.580 8.820 -14.033 383 HG2 LYS 50 HG2 LYS 50 -12.478 6.950 -12.554 384 HG3 LYS 50 HG3 LYS 50 -12.966 8.355 -13.511 385 HD2 LYS 50 HD2 LYS 50 -11.757 7.366 -15.496 386 HD3 LYS 50 HD3 LYS 50 -11.522 5.883 -14.567 387 HE2 LYS 50 HE2 LYS 50 -14.181 7.191 -15.275 388 HE3 LYS 50 HE3 LYS 50 -13.487 5.764 -16.060 389 HZ1 LYS 50 HZ1 LYS 50 -15.154 5.184 -14.424 390 HZ2 LYS 50 HZ2 LYS 50 -14.335 5.930 -13.234 391 HZ3 LYS 50 HZ3 LYS 50 -13.674 4.593 -13.954 392 H ARG 51 H ARG 51 -8.639 8.531 -10.709 393 HA ARG 51 HA ARG 51 -6.867 10.237 -12.099 394 HB2 ARG 51 HB2 ARG 51 -7.261 9.416 -9.255 395 HB3 ARG 51 HB3 ARG 51 -5.664 10.018 -9.680 396 HG2 ARG 51 HG2 ARG 51 -8.250 11.557 -9.974 397 HG3 ARG 51 HG3 ARG 51 -6.972 11.810 -8.786 398 HD2 ARG 51 HD2 ARG 51 -5.383 12.203 -10.782 399 HD3 ARG 51 HD3 ARG 51 -6.828 12.328 -11.789 400 HE ARG 51 HE ARG 51 -5.677 14.363 -10.265 401 HH11 ARG 51 HH11 ARG 51 -8.955 13.210 -11.042 402 HH12 ARG 51 HH12 ARG 51 -9.543 14.834 -11.196 403 HH21 ARG 51 HH21 ARG 51 -6.492 16.369 -10.387 404 HH22 ARG 51 HH22 ARG 51 -8.171 16.653 -10.766 405 H LYS 52 H LYS 52 -6.523 6.842 -11.195 406 HA LYS 52 HA LYS 52 -3.738 6.679 -11.279 407 HB2 LYS 52 HB2 LYS 52 -5.426 4.970 -10.460 408 HB3 LYS 52 HB3 LYS 52 -5.647 4.469 -12.140 409 HG2 LYS 52 HG2 LYS 52 -3.280 3.831 -12.299 410 HG3 LYS 52 HG3 LYS 52 -2.951 4.525 -10.691 411 HD2 LYS 52 HD2 LYS 52 -4.488 2.960 -9.652 412 HD3 LYS 52 HD3 LYS 52 -4.895 2.254 -11.235 413 HE2 LYS 52 HE2 LYS 52 -2.639 1.396 -11.486 414 HE3 LYS 52 HE3 LYS 52 -2.105 2.250 -10.025 415 HZ1 LYS 52 HZ1 LYS 52 -2.620 -0.105 -9.628 416 HZ2 LYS 52 HZ2 LYS 52 -4.188 0.174 -10.047 417 HZ3 LYS 52 HZ3 LYS 52 -3.560 0.922 -8.725 418 H THR 53 H THR 53 -6.039 5.858 -14.024 419 HA THR 53 HA THR 53 -3.853 5.619 -15.840 420 HB THR 53 HB THR 53 -5.681 5.682 -17.578 421 HG1 THR 53 HG1 THR 53 -7.400 6.594 -16.718 422 HG21 THR 53 HG21 THR 53 -4.704 3.617 -16.581 423 HG22 THR 53 HG22 THR 53 -6.402 3.406 -16.978 424 HG23 THR 53 HG23 THR 53 -5.923 3.666 -15.289 425 H ASN 54 H ASN 54 -5.794 8.342 -14.773 426 HA ASN 54 HA ASN 54 -5.050 10.208 -16.771 427 HB2 ASN 54 HB2 ASN 54 -6.021 10.370 -13.944 428 HB3 ASN 54 HB3 ASN 54 -5.240 11.794 -14.568 429 HD21 ASN 54 HD21 ASN 54 -7.949 9.515 -15.223 430 HD22 ASN 54 HD22 ASN 54 -8.880 10.705 -16.129 431 H GLY 55 H GLY 55 -3.409 9.409 -13.633 432 HA2 GLY 55 HA2 GLY 55 -0.799 9.704 -14.726 433 HA3 GLY 55 HA3 GLY 55 -1.248 11.211 -13.927 434 H GLY 56 H GLY 56 -2.842 9.725 -11.764 435 HA2 GLY 56 HA2 GLY 56 -1.803 7.833 -10.274 436 HA3 GLY 56 HA3 GLY 56 -0.499 9.005 -10.087 437 H CYS 57 H CYS 57 -3.446 7.949 -8.828 438 HA CYS 57 HA CYS 57 -4.607 10.307 -7.752 439 HB2 CYS 57 HB2 CYS 57 -4.935 7.771 -6.271 440 HB3 CYS 57 HB3 CYS 57 -6.164 8.830 -7.005 441 HA PRO 58 HA PRO 58 -2.029 10.876 -4.211 442 HB2 PRO 58 HB2 PRO 58 -3.699 11.425 -2.081 443 HB3 PRO 58 HB3 PRO 58 -3.384 12.560 -3.426 444 HG2 PRO 58 HG2 PRO 58 -5.703 10.640 -3.111 445 HG3 PRO 58 HG3 PRO 58 -5.769 12.378 -3.555 446 HD2 PRO 58 HD2 PRO 58 -5.879 10.409 -5.419 447 HD3 PRO 58 HD3 PRO 58 -4.982 11.918 -5.746 448 H ILE 59 H ILE 59 -4.826 8.728 -3.374 449 HA ILE 59 HA ILE 59 -3.485 7.261 -1.374 450 HB ILE 59 HB ILE 59 -5.839 6.510 -3.169 451 HG12 ILE 59 HG12 ILE 59 -7.067 6.534 -0.949 452 HG13 ILE 59 HG13 ILE 59 -5.636 7.247 -0.206 453 HG21 ILE 59 HG21 ILE 59 -4.773 4.376 -2.556 454 HG22 ILE 59 HG22 ILE 59 -4.696 4.882 -0.859 455 HG23 ILE 59 HG23 ILE 59 -6.261 4.583 -1.644 456 HD11 ILE 59 HD11 ILE 59 -7.050 8.477 -2.598 457 HD12 ILE 59 HD12 ILE 59 -7.554 8.780 -0.920 458 HD13 ILE 59 HD13 ILE 59 -5.930 9.259 -1.433 459 H CYS 60 H CYS 60 -4.121 6.299 -4.801 460 HA CYS 60 HA CYS 60 -2.660 4.018 -4.921 461 HB2 CYS 60 HB2 CYS 60 -3.142 6.052 -7.139 462 HB3 CYS 60 HB3 CYS 60 -2.803 4.343 -7.345 463 H LYS 61 H LYS 61 -1.403 7.343 -5.581 464 HA LYS 61 HA LYS 61 1.206 6.447 -6.378 465 HB2 LYS 61 HB2 LYS 61 0.197 9.040 -5.129 466 HB3 LYS 61 HB3 LYS 61 1.917 8.776 -5.417 467 HG2 LYS 61 HG2 LYS 61 1.531 8.528 -7.837 468 HG3 LYS 61 HG3 LYS 61 -0.192 8.748 -7.589 469 HD2 LYS 61 HD2 LYS 61 0.536 10.902 -8.234 470 HD3 LYS 61 HD3 LYS 61 0.362 11.001 -6.498 471 HE2 LYS 61 HE2 LYS 61 2.375 12.084 -6.782 472 HE3 LYS 61 HE3 LYS 61 2.956 10.453 -6.435 473 HZ1 LYS 61 HZ1 LYS 61 4.055 11.538 -8.349 474 HZ2 LYS 61 HZ2 LYS 61 2.663 11.635 -9.149 475 HZ3 LYS 61 HZ3 LYS 61 3.306 10.157 -8.820 476 H GLN 62 H GLN 62 -0.075 7.508 -3.178 477 HA GLN 62 HA GLN 62 2.408 7.076 -1.842 478 HB2 GLN 62 HB2 GLN 62 -0.434 7.340 -0.778 479 HB3 GLN 62 HB3 GLN 62 1.033 7.358 0.221 480 HG2 GLN 62 HG2 GLN 62 1.923 9.278 -1.068 481 HG3 GLN 62 HG3 GLN 62 0.483 9.313 -2.081 482 HE21 GLN 62 HE21 GLN 62 -1.628 9.464 -0.852 483 HE22 GLN 62 HE22 GLN 62 -1.720 10.674 0.398 484 H LEU 63 H LEU 63 -0.223 4.833 -2.598 485 HA LEU 63 HA LEU 63 0.466 2.822 -0.739 486 HB2 LEU 63 HB2 LEU 63 -1.619 2.944 -2.021 487 HB3 LEU 63 HB3 LEU 63 -0.749 2.614 -3.517 488 HG LEU 63 HG LEU 63 -0.216 0.349 -2.786 489 HD11 LEU 63 HD11 LEU 63 0.058 0.588 -0.372 490 HD12 LEU 63 HD12 LEU 63 -1.257 -0.557 -0.671 491 HD13 LEU 63 HD13 LEU 63 -1.630 1.109 -0.192 492 HD21 LEU 63 HD21 LEU 63 -2.390 0.825 -3.886 493 HD22 LEU 63 HD22 LEU 63 -3.144 1.058 -2.298 494 HD23 LEU 63 HD23 LEU 63 -2.521 -0.541 -2.763 495 H ILE 64 H ILE 64 2.050 3.792 -3.726 496 HA ILE 64 HA ILE 64 3.549 1.452 -4.256 497 HB ILE 64 HB ILE 64 4.228 4.357 -4.849 498 HG12 ILE 64 HG12 ILE 64 2.889 2.265 -6.632 499 HG13 ILE 64 HG13 ILE 64 2.012 3.511 -5.760 500 HG21 ILE 64 HG21 ILE 64 5.289 1.810 -6.129 501 HG22 ILE 64 HG22 ILE 64 5.656 3.474 -6.651 502 HG23 ILE 64 HG23 ILE 64 6.214 2.918 -5.083 503 HD11 ILE 64 HD11 ILE 64 3.260 5.277 -6.995 504 HD12 ILE 64 HD12 ILE 64 3.974 4.001 -8.010 505 HD13 ILE 64 HD13 ILE 64 2.225 4.245 -7.999 506 H ALA 65 H ALA 65 4.031 4.083 -1.915 507 HA ALA 65 HA ALA 65 6.728 3.692 -1.227 508 HB1 ALA 65 HB1 ALA 65 5.125 5.509 -0.372 509 HB2 ALA 65 HB2 ALA 65 4.479 4.321 0.754 510 HB3 ALA 65 HB3 ALA 65 6.184 4.791 0.862 511 H LEU 66 H LEU 66 3.812 2.035 -0.101 512 HA LEU 66 HA LEU 66 5.206 0.322 1.826 513 HB2 LEU 66 HB2 LEU 66 2.367 0.778 0.928 514 HB3 LEU 66 HB3 LEU 66 2.765 -0.779 1.651 515 HG LEU 66 HG LEU 66 3.476 0.088 3.662 516 HD11 LEU 66 HD11 LEU 66 4.772 2.056 3.042 517 HD12 LEU 66 HD12 LEU 66 3.597 2.464 4.253 518 HD13 LEU 66 HD13 LEU 66 3.281 2.906 2.555 519 HD21 LEU 66 HD21 LEU 66 1.440 1.145 4.457 520 HD22 LEU 66 HD22 LEU 66 1.083 -0.145 3.308 521 HD23 LEU 66 HD23 LEU 66 0.987 1.541 2.769 522 H ALA 67 H ALA 67 3.995 0.077 -1.514 523 HA ALA 67 HA ALA 67 4.354 -2.738 -1.759 524 HB1 ALA 67 HB1 ALA 67 4.653 -0.622 -3.937 525 HB2 ALA 67 HB2 ALA 67 4.348 -2.356 -4.151 526 HB3 ALA 67 HB3 ALA 67 3.115 -1.326 -3.383 527 H ALA 68 H ALA 68 6.570 -0.003 -2.511 528 HA ALA 68 HA ALA 68 8.833 -1.541 -3.263 529 HB1 ALA 68 HB1 ALA 68 8.664 1.240 -2.001 530 HB2 ALA 68 HB2 ALA 68 10.084 0.566 -2.822 531 HB3 ALA 68 HB3 ALA 68 8.596 0.869 -3.741 532 H TYR 69 H TYR 69 7.745 -0.410 -0.060 533 HA TYR 69 HA TYR 69 10.115 -1.194 1.408 534 HB2 TYR 69 HB2 TYR 69 8.583 0.426 2.333 535 HB3 TYR 69 HB3 TYR 69 7.197 -0.618 2.084 536 HD1 TYR 69 HD1 TYR 69 9.604 0.471 4.489 537 HD2 TYR 69 HD2 TYR 69 7.013 -2.794 3.415 538 HE1 TYR 69 HE1 TYR 69 9.810 -0.431 6.752 539 HE2 TYR 69 HE2 TYR 69 7.218 -3.758 5.639 540 HH TYR 69 HH TYR 69 8.555 -3.624 7.699 541 H HIS 70 H HIS 70 7.077 -2.906 0.535 542 HA HIS 70 HA HIS 70 7.792 -5.253 2.094 543 HB2 HIS 70 HB2 HIS 70 5.537 -4.890 1.994 544 HB3 HIS 70 HB3 HIS 70 5.567 -4.324 0.328 545 HD1 HIS 70 HD1 HIS 70 4.983 -7.551 2.231 546 HD2 HIS 70 HD2 HIS 70 5.605 -6.097 -1.659 547 HE1 HIS 70 HE1 HIS 70 4.211 -9.375 0.618 548 H ALA 71 H ALA 71 7.953 -4.321 -1.376 549 HA ALA 71 HA ALA 71 8.581 -6.768 -2.493 550 HB1 ALA 71 HB1 ALA 71 8.111 -4.729 -3.766 551 HB2 ALA 71 HB2 ALA 71 9.666 -4.029 -3.227 552 HB3 ALA 71 HB3 ALA 71 9.649 -5.462 -4.270 553 H LYS 72 H LYS 72 10.806 -4.750 -0.572 554 HA LYS 72 HA LYS 72 13.173 -6.017 -1.632 555 HB2 LYS 72 HB2 LYS 72 14.404 -5.026 0.105 556 HB3 LYS 72 HB3 LYS 72 13.138 -3.858 -0.282 557 HG2 LYS 72 HG2 LYS 72 11.829 -4.736 1.702 558 HG3 LYS 72 HG3 LYS 72 13.148 -5.815 2.054 559 HD2 LYS 72 HD2 LYS 72 13.446 -4.104 3.542 560 HD3 LYS 72 HD3 LYS 72 14.680 -3.829 2.298 561 HE2 LYS 72 HE2 LYS 72 13.374 -2.038 1.304 562 HE3 LYS 72 HE3 LYS 72 11.941 -2.500 2.246 563 HZ1 LYS 72 HZ1 LYS 72 14.419 -1.369 3.344 564 HZ2 LYS 72 HZ2 LYS 72 13.134 -1.894 4.248 565 HZ3 LYS 72 HZ3 LYS 72 12.958 -0.618 3.226 566 H HIS 73 H HIS 73 10.767 -6.983 0.784 567 HA HIS 73 HA HIS 73 12.378 -9.289 1.692 568 HB2 HIS 73 HB2 HIS 73 9.604 -8.343 2.514 569 HB3 HIS 73 HB3 HIS 73 10.549 -9.612 3.277 570 HD1 HIS 73 HD1 HIS 73 9.431 -6.745 4.505 571 HD2 HIS 73 HD2 HIS 73 13.342 -8.035 3.628 572 HE1 HIS 73 HE1 HIS 73 11.007 -5.424 6.064 573 H CYS 74 H CYS 74 9.331 -8.440 -0.058 574 HA CYS 74 HA CYS 74 8.617 -11.284 -0.328 575 HB2 CYS 74 HB2 CYS 74 7.206 -8.827 -0.363 576 HB3 CYS 74 HB3 CYS 74 7.260 -9.325 -2.036 577 H GLN 75 H GLN 75 10.116 -12.306 -1.503 578 HA GLN 75 HA GLN 75 10.535 -11.436 -4.305 579 HB2 GLN 75 HB2 GLN 75 12.723 -12.211 -2.317 580 HB3 GLN 75 HB3 GLN 75 12.943 -12.022 -4.054 581 HG2 GLN 75 HG2 GLN 75 12.349 -9.622 -3.891 582 HG3 GLN 75 HG3 GLN 75 12.107 -9.795 -2.147 583 HE21 GLN 75 HE21 GLN 75 14.311 -8.500 -4.172 584 HE22 GLN 75 HE22 GLN 75 15.766 -8.797 -3.251 585 H GLU 76 H GLU 76 8.935 -13.020 -4.664 586 HA GLU 76 HA GLU 76 9.886 -15.818 -4.454 587 HB2 GLU 76 HB2 GLU 76 7.477 -16.440 -4.024 588 HB3 GLU 76 HB3 GLU 76 8.361 -15.710 -2.677 589 HG2 GLU 76 HG2 GLU 76 7.230 -13.574 -3.040 590 HG3 GLU 76 HG3 GLU 76 6.410 -14.234 -4.470 591 H ASN 77 H ASN 77 8.268 -17.179 -5.865 592 HA ASN 77 HA ASN 77 8.686 -16.316 -8.553 593 HB2 ASN 77 HB2 ASN 77 7.128 -18.601 -7.325 594 HB3 ASN 77 HB3 ASN 77 7.041 -18.264 -9.053 595 HD21 ASN 77 HD21 ASN 77 9.324 -17.824 -10.121 596 HD22 ASN 77 HD22 ASN 77 10.565 -18.966 -9.642 597 H LYS 78 H LYS 78 5.527 -16.567 -6.695 598 HA LYS 78 HA LYS 78 4.504 -14.359 -8.424 599 HB2 LYS 78 HB2 LYS 78 3.155 -17.006 -7.791 600 HB3 LYS 78 HB3 LYS 78 2.265 -15.552 -8.205 601 HG2 LYS 78 HG2 LYS 78 2.400 -16.353 -10.268 602 HG3 LYS 78 HG3 LYS 78 3.900 -15.445 -10.296 603 HD2 LYS 78 HD2 LYS 78 5.107 -17.600 -9.761 604 HD3 LYS 78 HD3 LYS 78 3.551 -18.454 -9.853 605 HE2 LYS 78 HE2 LYS 78 3.269 -17.635 -12.199 606 HE3 LYS 78 HE3 LYS 78 4.806 -16.769 -12.068 607 HZ1 LYS 78 HZ1 LYS 78 5.395 -18.672 -13.133 608 HZ2 LYS 78 HZ2 LYS 78 4.372 -19.658 -12.284 609 HZ3 LYS 78 HZ3 LYS 78 5.742 -19.124 -11.596 610 H CYS 79 H CYS 79 5.202 -13.026 -6.702 611 HA CYS 79 HA CYS 79 4.454 -12.948 -4.093 612 HB2 CYS 79 HB2 CYS 79 5.114 -10.946 -6.195 613 HB3 CYS 79 HB3 CYS 79 4.097 -10.303 -4.941 614 HA PRO 80 HA PRO 80 0.081 -12.400 -3.958 615 HB2 PRO 80 HB2 PRO 80 -0.307 -11.387 -1.429 616 HB3 PRO 80 HB3 PRO 80 0.245 -13.061 -1.735 617 HG2 PRO 80 HG2 PRO 80 1.950 -10.650 -1.066 618 HG3 PRO 80 HG3 PRO 80 1.971 -12.280 -0.332 619 HD2 PRO 80 HD2 PRO 80 3.713 -11.558 -2.326 620 HD3 PRO 80 HD3 PRO 80 3.042 -13.210 -2.241 621 H VAL 81 H VAL 81 1.915 -9.462 -2.805 622 HA VAL 81 HA VAL 81 -0.359 -7.759 -3.185 623 HB VAL 81 HB VAL 81 2.575 -7.147 -2.730 624 HG11 VAL 81 HG11 VAL 81 1.516 -5.212 -3.848 625 HG12 VAL 81 HG12 VAL 81 0.183 -5.251 -2.672 626 HG13 VAL 81 HG13 VAL 81 1.834 -4.859 -2.150 627 HG21 VAL 81 HG21 VAL 81 1.790 -6.579 -0.459 628 HG22 VAL 81 HG22 VAL 81 0.140 -7.072 -0.894 629 HG23 VAL 81 HG23 VAL 81 1.454 -8.265 -0.845 630 HA PRO 82 HA PRO 82 0.200 -7.766 -7.633 631 HB2 PRO 82 HB2 PRO 82 -1.556 -5.781 -8.378 632 HB3 PRO 82 HB3 PRO 82 -2.057 -7.422 -7.870 633 HG2 PRO 82 HG2 PRO 82 -1.933 -4.898 -6.202 634 HG3 PRO 82 HG3 PRO 82 -3.267 -6.083 -6.306 635 HD2 PRO 82 HD2 PRO 82 -1.435 -6.139 -4.289 636 HD3 PRO 82 HD3 PRO 82 -2.079 -7.656 -4.979 637 H PHE 83 H PHE 83 0.361 -4.744 -5.749 638 HA PHE 83 HA PHE 83 1.755 -3.187 -7.710 639 HB2 PHE 83 HB2 PHE 83 1.426 -2.996 -4.703 640 HB3 PHE 83 HB3 PHE 83 2.580 -2.004 -5.554 641 HD1 PHE 83 HD1 PHE 83 -0.926 -2.813 -6.749 642 HD2 PHE 83 HD2 PHE 83 1.835 0.151 -5.240 643 HE1 PHE 83 HE1 PHE 83 -2.567 -1.030 -7.192 644 HE2 PHE 83 HE2 PHE 83 0.164 1.918 -5.679 645 HZ PHE 83 HZ PHE 83 -2.053 1.339 -6.625 646 H CYS 84 H CYS 84 2.923 -5.493 -5.143 647 HA CYS 84 HA CYS 84 5.676 -4.765 -5.682 648 HB2 CYS 84 HB2 CYS 84 6.330 -6.088 -4.005 649 HB3 CYS 84 HB3 CYS 84 4.698 -5.615 -3.471 650 H LEU 85 H LEU 85 3.407 -7.268 -6.718 651 HA LEU 85 HA LEU 85 5.223 -8.918 -8.176 652 HB2 LEU 85 HB2 LEU 85 3.015 -9.673 -7.728 653 HB3 LEU 85 HB3 LEU 85 2.263 -8.295 -8.505 654 HG LEU 85 HG LEU 85 4.059 -9.842 -10.287 655 HD11 LEU 85 HD11 LEU 85 1.464 -11.092 -9.282 656 HD12 LEU 85 HD12 LEU 85 3.103 -11.713 -8.994 657 HD13 LEU 85 HD13 LEU 85 2.443 -11.691 -10.640 658 HD21 LEU 85 HD21 LEU 85 2.197 -9.560 -11.878 659 HD22 LEU 85 HD22 LEU 85 2.593 -8.006 -11.114 660 HD23 LEU 85 HD23 LEU 85 1.169 -8.929 -10.590 661 H ASN 86 H ASN 86 3.652 -5.881 -8.910 662 HA ASN 86 HA ASN 86 4.633 -5.709 -11.641 663 HB2 ASN 86 HB2 ASN 86 3.456 -3.560 -9.838 664 HB3 ASN 86 HB3 ASN 86 4.043 -3.257 -11.470 665 HD21 ASN 86 HD21 ASN 86 3.084 -5.537 -12.913 666 HD22 ASN 86 HD22 ASN 86 1.341 -5.435 -12.894 667 H ILE 87 H ILE 87 6.003 -4.806 -8.479 668 HA ILE 87 HA ILE 87 8.051 -3.075 -9.608 669 HB ILE 87 HB ILE 87 7.586 -4.341 -6.902 670 HG12 ILE 87 HG12 ILE 87 7.961 -1.423 -7.690 671 HG13 ILE 87 HG13 ILE 87 6.405 -2.226 -7.854 672 HG21 ILE 87 HG21 ILE 87 9.595 -3.148 -6.022 673 HG22 ILE 87 HG22 ILE 87 10.014 -4.454 -7.108 674 HG23 ILE 87 HG23 ILE 87 10.084 -2.786 -7.695 675 HD11 ILE 87 HD11 ILE 87 6.466 -0.996 -5.771 676 HD12 ILE 87 HD12 ILE 87 6.364 -2.736 -5.447 677 HD13 ILE 87 HD13 ILE 87 7.909 -1.880 -5.244 678 H LYS 88 H LYS 88 7.869 -6.556 -8.761 679 HA LYS 88 HA LYS 88 10.516 -7.280 -9.159 680 HB2 LYS 88 HB2 LYS 88 8.718 -8.790 -8.379 681 HB3 LYS 88 HB3 LYS 88 8.023 -8.829 -10.005 682 HG2 LYS 88 HG2 LYS 88 10.134 -9.844 -10.866 683 HG3 LYS 88 HG3 LYS 88 10.791 -9.826 -9.217 684 HD2 LYS 88 HD2 LYS 88 8.801 -11.270 -8.540 685 HD3 LYS 88 HD3 LYS 88 8.388 -11.367 -10.271 686 HE2 LYS 88 HE2 LYS 88 10.641 -12.321 -10.732 687 HE3 LYS 88 HE3 LYS 88 11.042 -12.204 -9.018 688 HZ1 LYS 88 HZ1 LYS 88 9.226 -13.758 -8.556 689 HZ2 LYS 88 HZ2 LYS 88 10.364 -14.411 -9.517 690 HZ3 LYS 88 HZ3 LYS 88 8.943 -13.950 -10.182 691 H GLN 89 H GLN 89 8.059 -7.213 -11.740 692 HA GLN 89 HA GLN 89 9.858 -7.819 -13.853 693 HB2 GLN 89 HB2 GLN 89 8.053 -6.939 -15.355 694 HB3 GLN 89 HB3 GLN 89 7.472 -8.104 -14.157 695 HG2 GLN 89 HG2 GLN 89 6.593 -6.356 -12.757 696 HG3 GLN 89 HG3 GLN 89 7.325 -5.089 -13.762 697 HE21 GLN 89 HE21 GLN 89 6.470 -4.946 -16.060 698 HE22 GLN 89 HE22 GLN 89 4.754 -5.156 -16.250 699 H LYS 90 H LYS 90 9.747 -4.853 -12.084 700 HA LYS 90 HA LYS 90 10.705 -3.219 -14.381 701 HB2 LYS 90 HB2 LYS 90 10.129 -2.466 -11.485 702 HB3 LYS 90 HB3 LYS 90 10.654 -1.350 -12.739 703 HG2 LYS 90 HG2 LYS 90 8.630 -1.605 -13.990 704 HG3 LYS 90 HG3 LYS 90 8.108 -2.972 -13.013 705 HD2 LYS 90 HD2 LYS 90 8.154 -1.354 -10.994 706 HD3 LYS 90 HD3 LYS 90 8.283 -0.057 -12.203 707 HE2 LYS 90 HE2 LYS 90 6.204 -0.866 -13.271 708 HE3 LYS 90 HE3 LYS 90 6.107 -2.194 -12.117 709 HZ1 LYS 90 HZ1 LYS 90 5.941 -0.455 -10.343 710 HZ2 LYS 90 HZ2 LYS 90 4.670 -0.502 -11.365 711 HZ3 LYS 90 HZ3 LYS 90 5.804 0.674 -11.509 712 H GLY 91 H GLY 91 11.768 -4.519 -11.214 713 HA2 GLY 91 HA2 GLY 91 13.852 -4.964 -10.423 714 HA3 GLY 91 HA3 GLY 91 14.514 -4.582 -12.005 715 H THR 92 H THR 92 13.342 -1.779 -11.864 716 HA THR 92 HA THR 92 15.361 -0.253 -11.150 717 HB THR 92 HB THR 92 13.793 1.632 -11.159 718 HG1 THR 92 HG1 THR 92 11.603 1.251 -11.306 719 HG21 THR 92 HG21 THR 92 14.348 0.217 -13.229 720 HG22 THR 92 HG22 THR 92 12.925 1.281 -13.340 721 HG23 THR 92 HG23 THR 92 12.727 -0.465 -13.078 722 H ILE 93 H ILE 93 13.020 -1.285 -8.743 723 HA ILE 93 HA ILE 93 13.887 0.727 -6.805 724 HB ILE 93 HB ILE 93 12.287 -1.837 -6.391 725 HG12 ILE 93 HG12 ILE 93 11.084 -0.413 -7.927 726 HG13 ILE 93 HG13 ILE 93 10.297 -0.357 -6.363 727 HG21 ILE 93 HG21 ILE 93 13.181 -1.143 -4.283 728 HG22 ILE 93 HG22 ILE 93 12.688 0.537 -4.532 729 HG23 ILE 93 HG23 ILE 93 11.471 -0.748 -4.314 730 HD11 ILE 93 HD11 ILE 93 12.174 1.803 -7.456 731 HD12 ILE 93 HD12 ILE 93 10.432 1.880 -7.435 732 HD13 ILE 93 HD13 ILE 93 11.305 1.852 -5.898 733 H GLU 94 H GLU 94 14.501 -2.696 -7.332 734 HA GLU 94 HA GLU 94 16.074 -4.126 -6.572 735 HB2 GLU 94 HB2 GLU 94 17.304 -2.255 -8.015 736 HB3 GLU 94 HB3 GLU 94 18.081 -1.870 -6.478 737 HG2 GLU 94 HG2 GLU 94 18.747 -4.357 -6.358 738 HG3 GLU 94 HG3 GLU 94 18.128 -4.510 -8.001 739 H GLY 95 H GLY 95 14.800 -2.246 -4.513 740 HA2 GLY 95 HA2 GLY 95 14.847 -3.255 -2.145 741 HA3 GLY 95 HA3 GLY 95 16.556 -2.782 -2.153 742 H ARG 96 H ARG 96 17.129 -0.582 -2.220 743 HA ARG 96 HA ARG 96 15.361 1.161 -0.716 744 HB2 ARG 96 HB2 ARG 96 18.036 1.733 -2.064 745 HB3 ARG 96 HB3 ARG 96 17.204 2.793 -0.917 746 HG2 ARG 96 HG2 ARG 96 17.320 1.006 0.815 747 HG3 ARG 96 HG3 ARG 96 18.210 -0.029 -0.320 748 HD2 ARG 96 HD2 ARG 96 19.987 1.754 -0.456 749 HD3 ARG 96 HD3 ARG 96 19.107 2.651 0.787 750 HE ARG 96 HE ARG 96 19.839 1.236 2.399 751 HH11 ARG 96 HH11 ARG 96 20.912 0.003 -0.767 752 HH12 ARG 96 HH12 ARG 96 21.798 -1.322 -0.117 753 HH21 ARG 96 HH21 ARG 96 20.956 -0.624 3.267 754 HH22 ARG 96 HH22 ARG 96 21.919 -1.600 2.220 755 H GLY 97 H GLY 97 16.554 1.226 -4.074 756 HA2 GLY 97 HA2 GLY 97 15.637 2.191 -5.953 757 HA3 GLY 97 HA3 GLY 97 14.135 2.509 -5.048 758 H ASN 98 H ASN 98 13.860 4.790 -5.124 759 HA ASN 98 HA ASN 98 16.270 6.515 -4.747 760 HB2 ASN 98 HB2 ASN 98 13.550 7.030 -5.967 761 HB3 ASN 98 HB3 ASN 98 14.460 8.350 -5.223 762 HD21 ASN 98 HD21 ASN 98 15.233 9.552 -6.957 763 HD22 ASN 98 HD22 ASN 98 16.259 8.865 -8.187 764 H GLU 99 H GLU 99 12.936 7.423 -3.718 765 HA GLU 99 HA GLU 99 13.372 6.971 -0.916 766 HB2 GLU 99 HB2 GLU 99 13.084 9.429 -0.539 767 HB3 GLU 99 HB3 GLU 99 14.609 9.049 -1.345 768 HG2 GLU 99 HG2 GLU 99 13.545 9.687 -3.556 769 HG3 GLU 99 HG3 GLU 99 12.074 10.099 -2.681 770 H PHE 100 H PHE 100 11.398 7.557 0.137 771 HA PHE 100 HA PHE 100 9.022 8.429 -1.168 772 HB2 PHE 100 HB2 PHE 100 9.534 5.688 -1.507 773 HB3 PHE 100 HB3 PHE 100 8.519 5.716 -0.094 774 HD1 PHE 100 HD1 PHE 100 8.320 5.094 -3.405 775 HD2 PHE 100 HD2 PHE 100 6.536 7.846 -0.588 776 HE1 PHE 100 HE1 PHE 100 6.474 5.531 -4.992 777 HE2 PHE 100 HE2 PHE 100 4.667 8.219 -2.171 778 HZ PHE 100 HZ PHE 100 4.658 7.098 -4.387 779 H LEU 101 H LEU 101 8.446 9.804 0.519 780 HA LEU 101 HA LEU 101 8.190 8.706 3.248 781 HB2 LEU 101 HB2 LEU 101 9.901 11.117 2.534 782 HB3 LEU 101 HB3 LEU 101 9.240 10.843 4.147 783 HG LEU 101 HG LEU 101 11.147 8.915 2.771 784 HD11 LEU 101 HD11 LEU 101 12.168 11.123 3.207 785 HD12 LEU 101 HD12 LEU 101 12.848 9.861 4.258 786 HD13 LEU 101 HD13 LEU 101 11.674 11.023 4.898 787 HD21 LEU 101 HD21 LEU 101 10.107 9.118 5.645 788 HD22 LEU 101 HD22 LEU 101 11.425 8.053 5.118 789 HD23 LEU 101 HD23 LEU 101 9.797 7.801 4.498 790 H SER 102 H SER 102 5.988 8.858 2.946 791 HA SER 102 HA SER 102 4.659 11.250 1.984 792 HB2 SER 102 HB2 SER 102 3.792 8.947 1.694 793 HB3 SER 102 HB3 SER 102 3.787 8.712 3.436 794 HG SER 102 HG SER 102 1.987 10.291 1.889 795 HA PRO 103 HA PRO 103 4.456 13.358 5.981 796 HB2 PRO 103 HB2 PRO 103 2.322 15.001 5.680 797 HB3 PRO 103 HB3 PRO 103 3.807 15.181 4.706 798 HG2 PRO 103 HG2 PRO 103 1.245 13.779 3.930 799 HG3 PRO 103 HG3 PRO 103 2.167 14.990 2.987 800 HD2 PRO 103 HD2 PRO 103 2.396 12.298 2.606 801 HD3 PRO 103 HD3 PRO 103 3.773 13.409 2.378 802 H GLU 104 H GLU 104 2.122 13.983 7.537 803 HA GLU 104 HA GLU 104 1.492 11.444 8.703 804 HB2 GLU 104 HB2 GLU 104 0.111 14.130 8.997 805 HB3 GLU 104 HB3 GLU 104 -0.166 12.729 10.032 806 HG2 GLU 104 HG2 GLU 104 2.079 12.760 10.897 807 HG3 GLU 104 HG3 GLU 104 2.602 13.967 9.714 808 H VAL 105 H VAL 105 0.200 13.045 5.970 809 HA VAL 105 HA VAL 105 -2.445 12.151 5.907 810 HB VAL 105 HB VAL 105 -0.574 12.517 3.540 811 HG11 VAL 105 HG11 VAL 105 -2.633 13.076 2.286 812 HG12 VAL 105 HG12 VAL 105 -2.668 11.416 2.876 813 HG13 VAL 105 HG13 VAL 105 -3.616 12.667 3.712 814 HG21 VAL 105 HG21 VAL 105 -1.511 14.842 3.465 815 HG22 VAL 105 HG22 VAL 105 -2.371 14.519 4.987 816 HG23 VAL 105 HG23 VAL 105 -0.610 14.572 4.958 817 H PHE 106 H PHE 106 0.528 10.343 5.554 818 HA PHE 106 HA PHE 106 -0.305 8.058 4.179 819 HB2 PHE 106 HB2 PHE 106 2.015 8.442 4.874 820 HB3 PHE 106 HB3 PHE 106 1.543 8.450 6.565 821 HD1 PHE 106 HD1 PHE 106 0.916 6.076 3.683 822 HD2 PHE 106 HD2 PHE 106 2.362 6.608 7.704 823 HE1 PHE 106 HE1 PHE 106 1.251 3.631 3.906 824 HE2 PHE 106 HE2 PHE 106 2.747 4.157 7.893 825 HZ PHE 106 HZ PHE 106 2.146 2.657 5.985 826 H GLN 107 H GLN 107 -0.792 8.980 7.637 827 HA GLN 107 HA GLN 107 -2.132 6.448 8.225 828 HB2 GLN 107 HB2 GLN 107 -1.768 8.985 9.873 829 HB3 GLN 107 HB3 GLN 107 -2.630 7.548 10.409 830 HG2 GLN 107 HG2 GLN 107 -0.635 6.923 11.262 831 HG3 GLN 107 HG3 GLN 107 -0.375 6.296 9.652 832 HE21 GLN 107 HE21 GLN 107 1.883 6.408 10.077 833 HE22 GLN 107 HE22 GLN 107 2.759 7.939 10.133 834 H HIS 108 H HIS 108 -3.102 9.701 7.207 835 HA HIS 108 HA HIS 108 -5.843 9.526 7.944 836 HB2 HIS 108 HB2 HIS 108 -4.773 10.896 5.444 837 HB3 HIS 108 HB3 HIS 108 -6.296 11.201 6.250 838 HD1 HIS 108 HD1 HIS 108 -4.964 13.792 5.890 839 HD2 HIS 108 HD2 HIS 108 -3.740 11.170 8.988 840 HE1 HIS 108 HE1 HIS 108 -3.655 15.171 7.549 841 H ILE 109 H ILE 109 -4.031 8.039 5.298 842 HA ILE 109 HA ILE 109 -6.219 7.330 3.603 843 HB ILE 109 HB ILE 109 -3.523 6.009 4.024 844 HG12 ILE 109 HG12 ILE 109 -4.365 7.852 1.739 845 HG13 ILE 109 HG13 ILE 109 -3.563 8.436 3.181 846 HG21 ILE 109 HG21 ILE 109 -5.016 4.393 2.942 847 HG22 ILE 109 HG22 ILE 109 -5.428 5.587 1.691 848 HG23 ILE 109 HG23 ILE 109 -3.784 4.950 1.822 849 HD11 ILE 109 HD11 ILE 109 -1.843 8.174 1.600 850 HD12 ILE 109 HD12 ILE 109 -1.664 6.803 2.705 851 HD13 ILE 109 HD13 ILE 109 -2.398 6.570 1.099 852 H TRP 110 H TRP 110 -4.856 5.780 6.570 853 HA TRP 110 HA TRP 110 -6.417 3.401 6.106 854 HB2 TRP 110 HB2 TRP 110 -4.964 4.209 8.633 855 HB3 TRP 110 HB3 TRP 110 -5.456 2.583 8.138 856 HD1 TRP 110 HD1 TRP 110 -2.429 4.314 8.469 857 HE1 TRP 110 HE1 TRP 110 -0.630 3.731 6.745 858 HE3 TRP 110 HE3 TRP 110 -5.364 1.928 5.010 859 HZ2 TRP 110 HZ2 TRP 110 -0.499 2.353 4.226 860 HZ3 TRP 110 HZ3 TRP 110 -4.371 0.930 2.996 861 HH2 TRP 110 HH2 TRP 110 -1.928 1.122 2.574 862 H ASP 111 H ASP 111 -7.014 6.369 7.854 863 HA ASP 111 HA ASP 111 -9.104 5.237 9.511 864 HB2 ASP 111 HB2 ASP 111 -7.918 7.369 10.048 865 HB3 ASP 111 HB3 ASP 111 -8.704 8.136 8.649 866 H PHE 112 H PHE 112 -9.141 7.033 6.446 867 HA PHE 112 HA PHE 112 -12.031 6.833 6.257 868 HB2 PHE 112 HB2 PHE 112 -11.940 8.234 4.537 869 HB3 PHE 112 HB3 PHE 112 -10.333 8.583 5.130 870 HD1 PHE 112 HD1 PHE 112 -12.332 7.363 2.380 871 HD2 PHE 112 HD2 PHE 112 -8.386 7.262 4.046 872 HE1 PHE 112 HE1 PHE 112 -11.494 6.375 0.275 873 HE2 PHE 112 HE2 PHE 112 -7.511 6.257 1.954 874 HZ PHE 112 HZ PHE 112 -9.056 5.818 0.039 875 H LEU 113 H LEU 113 -9.442 4.620 5.574 876 HA LEU 113 HA LEU 113 -10.438 3.338 3.323 877 HB2 LEU 113 HB2 LEU 113 -8.837 1.803 3.588 878 HB3 LEU 113 HB3 LEU 113 -8.251 2.931 4.775 879 HG LEU 113 HG LEU 113 -9.553 1.488 6.514 880 HD11 LEU 113 HD11 LEU 113 -9.603 -0.964 5.858 881 HD12 LEU 113 HD12 LEU 113 -9.252 -0.491 4.185 882 HD13 LEU 113 HD13 LEU 113 -10.782 -0.048 4.938 883 HD21 LEU 113 HD21 LEU 113 -7.649 -0.165 6.631 884 HD22 LEU 113 HD22 LEU 113 -7.159 1.507 6.545 885 HD23 LEU 113 HD23 LEU 113 -7.072 0.488 5.083 886 H GLU 114 H GLU 114 -11.404 2.982 6.685 887 HA GLU 114 HA GLU 114 -13.286 0.797 6.162 888 HB2 GLU 114 HB2 GLU 114 -12.909 2.528 8.649 889 HB3 GLU 114 HB3 GLU 114 -13.833 1.027 8.519 890 HG2 GLU 114 HG2 GLU 114 -11.601 -0.071 7.787 891 HG3 GLU 114 HG3 GLU 114 -10.840 1.402 8.391 892 H GLN 115 H GLN 115 -13.400 4.250 6.126 893 HA GLN 115 HA GLN 115 -16.191 4.622 6.797 894 HB2 GLN 115 HB2 GLN 115 -14.246 6.287 6.973 895 HB3 GLN 115 HB3 GLN 115 -14.312 6.406 5.213 896 HG2 GLN 115 HG2 GLN 115 -16.704 7.234 5.459 897 HG3 GLN 115 HG3 GLN 115 -16.449 7.254 7.199 898 HE21 GLN 115 HE21 GLN 115 -17.058 9.759 6.308 899 HE22 GLN 115 HE22 GLN 115 -15.597 10.687 5.993 900 HA PRO 116 HA PRO 116 -17.383 3.272 2.649 901 HB2 PRO 116 HB2 PRO 116 -20.052 3.819 2.635 902 HB3 PRO 116 HB3 PRO 116 -19.346 2.509 3.619 903 HG2 PRO 116 HG2 PRO 116 -20.130 5.287 4.507 904 HG3 PRO 116 HG3 PRO 116 -20.452 3.731 5.326 905 HD2 PRO 116 HD2 PRO 116 -18.348 5.408 5.991 906 HD3 PRO 116 HD3 PRO 116 -18.283 3.634 6.198 907 H ILE 117 H ILE 117 -16.049 4.819 1.562 908 HA ILE 117 HA ILE 117 -17.329 7.331 0.644 909 HB ILE 117 HB ILE 117 -14.514 6.795 1.674 910 HG12 ILE 117 HG12 ILE 117 -16.197 7.468 3.348 911 HG13 ILE 117 HG13 ILE 117 -14.838 8.567 3.225 912 HG21 ILE 117 HG21 ILE 117 -13.872 9.114 1.057 913 HG22 ILE 117 HG22 ILE 117 -14.065 8.046 -0.319 914 HG23 ILE 117 HG23 ILE 117 -15.335 9.242 0.070 915 HD11 ILE 117 HD11 ILE 117 -16.194 10.216 2.027 916 HD12 ILE 117 HD12 ILE 117 -17.569 9.086 1.965 917 HD13 ILE 117 HD13 ILE 117 -17.010 9.731 3.514 918 H SER 118 H SER 118 -16.688 7.917 -1.439 919 HA SER 118 HA SER 118 -15.158 6.023 -3.117 920 HB2 SER 118 HB2 SER 118 -17.116 6.399 -4.827 921 HB3 SER 118 HB3 SER 118 -17.264 5.175 -3.568 922 HG SER 118 HG SER 118 -18.646 6.307 -2.473 923 H SER 119 H SER 119 -15.213 9.121 -2.000 924 HA SER 119 HA SER 119 -14.276 10.228 -4.551 925 HB2 SER 119 HB2 SER 119 -15.862 11.734 -2.433 926 HB3 SER 119 HB3 SER 119 -15.321 12.333 -4.011 927 HG SER 119 HG SER 119 -17.512 11.731 -3.970 928 H VAL 120 H VAL 120 -12.088 10.386 -4.214 929 HA VAL 120 HA VAL 120 -11.075 11.765 -1.896 930 HB VAL 120 HB VAL 120 -9.199 10.175 -2.012 931 HG11 VAL 120 HG11 VAL 120 -10.891 10.162 -0.182 932 HG12 VAL 120 HG12 VAL 120 -11.772 8.889 -1.052 933 HG13 VAL 120 HG13 VAL 120 -10.121 8.600 -0.450 934 HG21 VAL 120 HG21 VAL 120 -9.441 7.898 -2.772 935 HG22 VAL 120 HG22 VAL 120 -11.058 8.259 -3.417 936 HG23 VAL 120 HG23 VAL 120 -9.611 9.035 -4.114 937 H GLN 121 H GLN 121 -11.855 12.651 -4.533 938 HA GLN 121 HA GLN 121 -9.540 12.721 -6.319 939 HB2 GLN 121 HB2 GLN 121 -12.157 14.319 -6.197 940 HB3 GLN 121 HB3 GLN 121 -10.872 14.597 -7.365 941 HG2 GLN 121 HG2 GLN 121 -12.354 13.321 -8.559 942 HG3 GLN 121 HG3 GLN 121 -11.105 12.169 -8.095 943 HE21 GLN 121 HE21 GLN 121 -13.331 11.012 -8.941 944 HE22 GLN 121 HE22 GLN 121 -14.332 10.454 -7.601 945 HA PRO 122 HA PRO 122 -7.551 15.881 -3.931 946 HB2 PRO 122 HB2 PRO 122 -6.218 17.349 -5.864 947 HB3 PRO 122 HB3 PRO 122 -5.672 15.752 -5.257 948 HG2 PRO 122 HG2 PRO 122 -7.255 16.390 -7.754 949 HG3 PRO 122 HG3 PRO 122 -5.859 15.275 -7.584 950 HD2 PRO 122 HD2 PRO 122 -8.423 14.368 -7.610 951 HD3 PRO 122 HD3 PRO 122 -7.201 13.624 -6.533 952 H ILE 123 H ILE 123 -8.425 17.686 -3.053 953 HA ILE 123 HA ILE 123 -10.542 19.079 -4.549 954 HB ILE 123 HB ILE 123 -11.168 20.134 -2.560 955 HG12 ILE 123 HG12 ILE 123 -8.636 19.149 -1.179 956 HG13 ILE 123 HG13 ILE 123 -8.933 20.808 -1.702 957 HG21 ILE 123 HG21 ILE 123 -11.604 17.618 -2.826 958 HG22 ILE 123 HG22 ILE 123 -10.342 17.352 -1.626 959 HG23 ILE 123 HG23 ILE 123 -11.803 18.275 -1.203 960 HD11 ILE 123 HD11 ILE 123 -10.883 20.964 -0.189 961 HD12 ILE 123 HD12 ILE 123 -10.517 19.331 0.421 962 HD13 ILE 123 HD13 ILE 123 -9.350 20.641 0.649 963 H ASP 124 H ASP 124 -7.187 19.444 -3.786 964 HA ASP 124 HA ASP 124 -7.032 22.325 -4.382 965 HB2 ASP 124 HB2 ASP 124 -5.666 21.569 -2.557 966 HB3 ASP 124 HB3 ASP 124 -4.971 20.264 -3.522 Start of MODEL 5 1 H1 ALA 1 H ALA 1 26.636 9.490 11.893 2 HA ALA 1 HA ALA 1 28.677 9.437 9.767 3 HB1 ALA 1 HB1 ALA 1 28.025 7.137 9.192 4 HB2 ALA 1 HB2 ALA 1 28.626 7.214 10.853 5 HB3 ALA 1 HB3 ALA 1 26.878 7.100 10.555 6 H THR 2 H THR 2 26.206 7.784 8.414 7 HA THR 2 HA THR 2 24.421 10.088 7.951 8 HB THR 2 HB THR 2 24.576 9.618 5.482 9 HG1 THR 2 HG1 THR 2 25.796 8.100 4.798 10 HG21 THR 2 HG21 THR 2 26.620 10.826 5.032 11 HG22 THR 2 HG22 THR 2 27.269 10.456 6.639 12 HG23 THR 2 HG23 THR 2 25.854 11.524 6.467 13 H GLN 3 H GLN 3 24.616 6.912 8.914 14 HA GLN 3 HA GLN 3 22.759 5.582 7.304 15 HB2 GLN 3 HB2 GLN 3 24.277 4.474 8.850 16 HB3 GLN 3 HB3 GLN 3 23.393 5.122 10.242 17 HG2 GLN 3 HG2 GLN 3 21.361 3.881 9.542 18 HG3 GLN 3 HG3 GLN 3 22.178 3.353 8.062 19 HE21 GLN 3 HE21 GLN 3 21.825 2.778 11.537 20 HE22 GLN 3 HE22 GLN 3 22.920 1.392 11.555 21 H SER 4 H SER 4 20.858 6.443 6.815 22 HA SER 4 HA SER 4 19.204 7.981 8.501 23 HB2 SER 4 HB2 SER 4 18.508 6.294 6.058 24 HB3 SER 4 HB3 SER 4 17.578 7.668 6.685 25 HG SER 4 HG SER 4 19.383 7.834 4.903 26 HA PRO 5 HA PRO 5 17.995 4.259 10.825 27 HB2 PRO 5 HB2 PRO 5 16.586 5.388 12.833 28 HB3 PRO 5 HB3 PRO 5 18.344 5.603 12.702 29 HG2 PRO 5 HG2 PRO 5 16.183 7.521 11.790 30 HG3 PRO 5 HG3 PRO 5 17.635 7.868 12.781 31 HD2 PRO 5 HD2 PRO 5 17.536 8.210 10.047 32 HD3 PRO 5 HD3 PRO 5 19.049 7.784 10.915 33 H GLY 6 H GLY 6 16.355 2.933 10.359 34 HA2 GLY 6 HA2 GLY 6 13.764 4.008 9.299 35 HA3 GLY 6 HA3 GLY 6 14.626 2.678 8.522 36 H ASP 7 H ASP 7 15.197 2.176 11.761 37 HA ASP 7 HA ASP 7 13.561 -0.073 11.936 38 HB2 ASP 7 HB2 ASP 7 14.357 -0.300 14.165 39 HB3 ASP 7 HB3 ASP 7 15.673 0.197 13.100 40 H SER 8 H SER 8 12.967 3.258 13.030 41 HA SER 8 HA SER 8 10.588 2.571 14.537 42 HB2 SER 8 HB2 SER 8 12.232 4.595 14.750 43 HB3 SER 8 HB3 SER 8 11.285 5.312 13.437 44 HG SER 8 HG SER 8 10.585 4.629 16.090 45 H ARG 9 H ARG 9 11.376 3.622 11.236 46 HA ARG 9 HA ARG 9 8.674 4.138 10.425 47 HB2 ARG 9 HB2 ARG 9 11.177 3.503 8.777 48 HB3 ARG 9 HB3 ARG 9 9.654 4.019 8.080 49 HG2 ARG 9 HG2 ARG 9 11.272 5.706 10.058 50 HG3 ARG 9 HG3 ARG 9 11.346 5.839 8.295 51 HD2 ARG 9 HD2 ARG 9 8.959 6.343 8.181 52 HD3 ARG 9 HD3 ARG 9 8.846 6.255 9.955 53 HE ARG 9 HE ARG 9 10.799 8.160 9.467 54 HH11 ARG 9 HH11 ARG 9 7.386 7.765 8.576 55 HH12 ARG 9 HH12 ARG 9 6.905 9.355 9.006 56 HH21 ARG 9 HH21 ARG 9 10.266 10.386 9.752 57 HH22 ARG 9 HH22 ARG 9 8.629 10.905 9.596 58 H ARG 10 H ARG 10 10.775 1.237 10.091 59 HA ARG 10 HA ARG 10 8.979 -0.269 8.544 60 HB2 ARG 10 HB2 ARG 10 10.143 -2.282 9.296 61 HB3 ARG 10 HB3 ARG 10 11.240 -0.993 8.773 62 HG2 ARG 10 HG2 ARG 10 11.648 -0.490 11.137 63 HG3 ARG 10 HG3 ARG 10 10.642 -1.881 11.624 64 HD2 ARG 10 HD2 ARG 10 12.167 -3.346 10.257 65 HD3 ARG 10 HD3 ARG 10 13.165 -1.920 9.922 66 HE ARG 10 HE ARG 10 12.722 -2.499 12.771 67 HH11 ARG 10 HH11 ARG 10 14.969 -2.838 10.016 68 HH12 ARG 10 HH12 ARG 10 16.138 -3.749 10.900 69 HH21 ARG 10 HH21 ARG 10 14.508 -3.289 14.049 70 HH22 ARG 10 HH22 ARG 10 15.898 -3.906 13.220 71 H LEU 11 H LEU 11 9.094 -0.291 12.185 72 HA LEU 11 HA LEU 11 7.071 -2.181 12.407 73 HB2 LEU 11 HB2 LEU 11 6.845 -1.613 14.680 74 HB3 LEU 11 HB3 LEU 11 8.519 -1.352 14.249 75 HG LEU 11 HG LEU 11 7.448 1.166 13.809 76 HD11 LEU 11 HD11 LEU 11 5.237 0.464 14.796 77 HD12 LEU 11 HD12 LEU 11 6.026 1.793 15.652 78 HD13 LEU 11 HD13 LEU 11 6.088 0.162 16.335 79 HD21 LEU 11 HD21 LEU 11 8.561 1.875 15.799 80 HD22 LEU 11 HD22 LEU 11 9.522 0.597 15.047 81 HD23 LEU 11 HD23 LEU 11 8.539 0.225 16.467 82 H SER 12 H SER 12 6.664 1.271 11.827 83 HA SER 12 HA SER 12 3.810 1.345 12.257 84 HB2 SER 12 HB2 SER 12 5.233 3.315 12.436 85 HB3 SER 12 HB3 SER 12 5.762 3.144 10.758 86 HG SER 12 HG SER 12 3.881 4.594 11.547 87 H ILE 13 H ILE 13 5.925 0.927 9.399 88 HA ILE 13 HA ILE 13 3.785 0.891 7.488 89 HB ILE 13 HB ILE 13 6.701 0.102 7.453 90 HG12 ILE 13 HG12 ILE 13 5.314 2.377 5.992 91 HG13 ILE 13 HG13 ILE 13 5.988 2.553 7.612 92 HG21 ILE 13 HG21 ILE 13 5.891 -1.325 5.837 93 HG22 ILE 13 HG22 ILE 13 4.589 -0.242 5.363 94 HG23 ILE 13 HG23 ILE 13 6.265 0.099 4.859 95 HD11 ILE 13 HD11 ILE 13 7.542 1.945 5.082 96 HD12 ILE 13 HD12 ILE 13 7.650 3.365 6.133 97 HD13 ILE 13 HD13 ILE 13 8.230 1.801 6.719 98 H GLN 14 H GLN 14 5.773 -1.766 8.936 99 HA GLN 14 HA GLN 14 4.635 -3.990 7.736 100 HB2 GLN 14 HB2 GLN 14 5.635 -3.529 10.571 101 HB3 GLN 14 HB3 GLN 14 5.157 -5.120 9.987 102 HG2 GLN 14 HG2 GLN 14 6.867 -5.087 8.249 103 HG3 GLN 14 HG3 GLN 14 7.328 -3.439 8.680 104 HE21 GLN 14 HE21 GLN 14 8.128 -6.664 9.171 105 HE22 GLN 14 HE22 GLN 14 9.028 -6.514 10.666 106 H ARG 15 H ARG 15 3.425 -2.183 10.553 107 HA ARG 15 HA ARG 15 1.292 -3.840 11.278 108 HB2 ARG 15 HB2 ARG 15 2.259 -1.907 12.519 109 HB3 ARG 15 HB3 ARG 15 1.520 -0.790 11.374 110 HG2 ARG 15 HG2 ARG 15 -0.689 -1.339 12.120 111 HG3 ARG 15 HG3 ARG 15 -0.084 -2.692 13.111 112 HD2 ARG 15 HD2 ARG 15 0.857 0.159 13.495 113 HD3 ARG 15 HD3 ARG 15 -0.571 -0.446 14.319 114 HE ARG 15 HE ARG 15 2.235 -1.151 14.821 115 HH11 ARG 15 HH11 ARG 15 -1.173 -1.957 15.534 116 HH12 ARG 15 HH12 ARG 15 -0.798 -2.556 17.126 117 HH21 ARG 15 HH21 ARG 15 2.702 -2.240 16.842 118 HH22 ARG 15 HH22 ARG 15 1.345 -2.711 17.840 119 H ALA 16 H ALA 16 1.376 -1.366 8.688 120 HA ALA 16 HA ALA 16 -1.473 -1.633 8.098 121 HB1 ALA 16 HB1 ALA 16 -0.934 -0.232 6.151 122 HB2 ALA 16 HB2 ALA 16 -0.275 0.487 7.633 123 HB3 ALA 16 HB3 ALA 16 0.800 -0.357 6.499 124 H ILE 17 H ILE 17 1.636 -2.585 6.619 125 HA ILE 17 HA ILE 17 0.683 -3.951 4.396 126 HB ILE 17 HB ILE 17 3.257 -4.255 5.955 127 HG12 ILE 17 HG12 ILE 17 2.414 -2.840 3.380 128 HG13 ILE 17 HG13 ILE 17 2.888 -2.081 4.904 129 HG21 ILE 17 HG21 ILE 17 4.211 -5.493 4.053 130 HG22 ILE 17 HG22 ILE 17 2.858 -6.384 4.719 131 HG23 ILE 17 HG23 ILE 17 2.641 -5.452 3.218 132 HD11 ILE 17 HD11 ILE 17 4.720 -1.839 3.436 133 HD12 ILE 17 HD12 ILE 17 5.176 -3.128 4.585 134 HD13 ILE 17 HD13 ILE 17 4.653 -3.521 2.931 135 H GLN 18 H GLN 18 1.083 -5.332 7.694 136 HA GLN 18 HA GLN 18 0.816 -8.008 6.978 137 HB2 GLN 18 HB2 GLN 18 0.441 -8.448 9.227 138 HB3 GLN 18 HB3 GLN 18 1.310 -6.908 9.249 139 HG2 GLN 18 HG2 GLN 18 -0.941 -5.757 9.446 140 HG3 GLN 18 HG3 GLN 18 -1.659 -7.349 9.670 141 HE21 GLN 18 HE21 GLN 18 -2.290 -7.309 11.803 142 HE22 GLN 18 HE22 GLN 18 -1.241 -6.821 13.131 143 H SER 19 H SER 19 -1.756 -5.611 7.391 144 HA SER 19 HA SER 19 -3.888 -7.554 6.944 145 HB2 SER 19 HB2 SER 19 -3.956 -4.511 6.895 146 HB3 SER 19 HB3 SER 19 -5.348 -5.595 7.047 147 HG SER 19 HG SER 19 -4.147 -6.426 8.997 148 H LEU 20 H LEU 20 -1.984 -5.328 4.978 149 HA LEU 20 HA LEU 20 -3.704 -5.290 2.664 150 HB2 LEU 20 HB2 LEU 20 -2.058 -3.516 3.038 151 HB3 LEU 20 HB3 LEU 20 -0.752 -4.702 3.042 152 HG LEU 20 HG LEU 20 -1.128 -5.218 0.662 153 HD11 LEU 20 HD11 LEU 20 -3.196 -2.974 0.773 154 HD12 LEU 20 HD12 LEU 20 -3.520 -4.689 0.418 155 HD13 LEU 20 HD13 LEU 20 -2.564 -3.728 -0.708 156 HD21 LEU 20 HD21 LEU 20 0.503 -3.525 1.353 157 HD22 LEU 20 HD22 LEU 20 -0.738 -2.265 1.297 158 HD23 LEU 20 HD23 LEU 20 -0.221 -3.099 -0.192 159 H VAL 21 H VAL 21 -0.697 -7.140 3.492 160 HA VAL 21 HA VAL 21 -0.617 -8.644 1.106 161 HB VAL 21 HB VAL 21 0.317 -9.412 3.900 162 HG11 VAL 21 HG11 VAL 21 0.903 -10.680 1.181 163 HG12 VAL 21 HG12 VAL 21 1.809 -11.040 2.671 164 HG13 VAL 21 HG13 VAL 21 0.096 -11.459 2.558 165 HG21 VAL 21 HG21 VAL 21 1.938 -8.409 1.516 166 HG22 VAL 21 HG22 VAL 21 1.405 -7.376 2.850 167 HG23 VAL 21 HG23 VAL 21 2.519 -8.717 3.161 168 H HIS 22 H HIS 22 -2.171 -9.443 4.250 169 HA HIS 22 HA HIS 22 -3.325 -11.849 3.454 170 HB2 HIS 22 HB2 HIS 22 -3.271 -11.126 5.766 171 HB3 HIS 22 HB3 HIS 22 -4.282 -9.717 5.405 172 HD1 HIS 22 HD1 HIS 22 -4.614 -13.596 5.247 173 HD2 HIS 22 HD2 HIS 22 -6.885 -10.055 5.345 174 HE1 HIS 22 HE1 HIS 22 -7.038 -14.277 5.441 175 H ALA 23 H ALA 23 -4.814 -8.531 3.284 176 HA ALA 23 HA ALA 23 -7.207 -9.407 2.067 177 HB1 ALA 23 HB1 ALA 23 -7.538 -7.036 1.505 178 HB2 ALA 23 HB2 ALA 23 -6.935 -7.226 3.164 179 HB3 ALA 23 HB3 ALA 23 -5.830 -6.702 1.867 180 H ALA 24 H ALA 24 -4.081 -8.800 0.602 181 HA ALA 24 HA ALA 24 -5.120 -8.524 -2.086 182 HB1 ALA 24 HB1 ALA 24 -2.799 -8.710 -2.743 183 HB2 ALA 24 HB2 ALA 24 -2.962 -7.552 -1.406 184 HB3 ALA 24 HB3 ALA 24 -2.318 -9.185 -1.106 185 H GLN 25 H GLN 25 -3.644 -11.231 -0.206 186 HA GLN 25 HA GLN 25 -4.118 -13.080 -2.444 187 HB2 GLN 25 HB2 GLN 25 -3.019 -14.743 -1.095 188 HB3 GLN 25 HB3 GLN 25 -2.072 -13.259 -1.127 189 HG2 GLN 25 HG2 GLN 25 -2.853 -12.702 1.159 190 HG3 GLN 25 HG3 GLN 25 -3.899 -14.100 1.176 191 HE21 GLN 25 HE21 GLN 25 -0.369 -13.352 0.607 192 HE22 GLN 25 HE22 GLN 25 0.182 -14.714 1.568 193 H CYS 26 H CYS 26 -6.058 -11.979 0.103 194 HA CYS 26 HA CYS 26 -7.414 -14.225 0.978 195 HB2 CYS 26 HB2 CYS 26 -7.539 -12.150 2.105 196 HB3 CYS 26 HB3 CYS 26 -8.274 -11.358 0.723 197 H ARG 27 H ARG 27 -7.986 -15.673 -0.628 198 HA ARG 27 HA ARG 27 -10.533 -15.188 -2.018 199 HB2 ARG 27 HB2 ARG 27 -8.051 -16.190 -3.482 200 HB3 ARG 27 HB3 ARG 27 -9.684 -16.284 -4.113 201 HG2 ARG 27 HG2 ARG 27 -8.222 -13.702 -3.474 202 HG3 ARG 27 HG3 ARG 27 -8.221 -14.475 -5.033 203 HD2 ARG 27 HD2 ARG 27 -10.680 -13.363 -3.627 204 HD3 ARG 27 HD3 ARG 27 -9.801 -12.582 -4.941 205 HE ARG 27 HE ARG 27 -11.900 -14.416 -5.187 206 HH11 ARG 27 HH11 ARG 27 -8.860 -13.518 -6.860 207 HH12 ARG 27 HH12 ARG 27 -9.245 -14.476 -8.242 208 HH21 ARG 27 HH21 ARG 27 -12.268 -15.723 -7.077 209 HH22 ARG 27 HH22 ARG 27 -11.182 -15.577 -8.426 210 H ASN 28 H ASN 28 -11.175 -16.576 -0.196 211 HA ASN 28 HA ASN 28 -11.164 -19.373 -0.755 212 HB2 ASN 28 HB2 ASN 28 -8.830 -19.161 0.286 213 HB3 ASN 28 HB3 ASN 28 -9.630 -18.633 1.774 214 HD21 ASN 28 HD21 ASN 28 -8.448 -20.645 2.627 215 HD22 ASN 28 HD22 ASN 28 -9.222 -22.199 2.355 216 H ALA 29 H ALA 29 -12.515 -20.520 0.889 217 HA ALA 29 HA ALA 29 -14.620 -18.800 1.934 218 HB1 ALA 29 HB1 ALA 29 -14.254 -21.826 2.071 219 HB2 ALA 29 HB2 ALA 29 -15.740 -20.928 2.438 220 HB3 ALA 29 HB3 ALA 29 -15.104 -20.935 0.786 221 H ASN 30 H ASN 30 -12.098 -20.865 3.481 222 HA ASN 30 HA ASN 30 -13.149 -20.669 6.150 223 HB2 ASN 30 HB2 ASN 30 -11.573 -22.434 5.448 224 HB3 ASN 30 HB3 ASN 30 -10.332 -21.223 5.131 225 HD21 ASN 30 HD21 ASN 30 -12.568 -22.047 7.970 226 HD22 ASN 30 HD22 ASN 30 -11.250 -21.918 9.096 227 H CYS 31 H CYS 31 -11.475 -18.386 4.266 228 HA CYS 31 HA CYS 31 -10.102 -16.965 6.393 229 HB2 CYS 31 HB2 CYS 31 -9.325 -17.135 4.035 230 HB3 CYS 31 HB3 CYS 31 -10.836 -16.350 3.510 231 H SER 32 H SER 32 -11.283 -15.833 7.913 232 HA SER 32 HA SER 32 -13.300 -13.886 6.926 233 HB2 SER 32 HB2 SER 32 -14.661 -14.491 8.965 234 HB3 SER 32 HB3 SER 32 -14.611 -15.709 7.687 235 HG SER 32 HG SER 32 -13.918 -17.043 9.144 236 H LEU 33 H LEU 33 -11.716 -12.244 7.076 237 HA LEU 33 HA LEU 33 -10.936 -11.550 9.872 238 HB2 LEU 33 HB2 LEU 33 -9.359 -11.587 7.303 239 HB3 LEU 33 HB3 LEU 33 -9.121 -10.229 8.404 240 HG LEU 33 HG LEU 33 -8.761 -11.949 10.272 241 HD11 LEU 33 HD11 LEU 33 -8.455 -13.777 7.839 242 HD12 LEU 33 HD12 LEU 33 -9.581 -13.994 9.201 243 HD13 LEU 33 HD13 LEU 33 -7.859 -14.146 9.470 244 HD21 LEU 33 HD21 LEU 33 -6.712 -11.960 8.031 245 HD22 LEU 33 HD22 LEU 33 -6.429 -12.192 9.758 246 HD23 LEU 33 HD23 LEU 33 -6.951 -10.609 9.153 247 HA PRO 34 HA PRO 34 -13.620 -8.116 8.852 248 HB2 PRO 34 HB2 PRO 34 -13.118 -6.426 10.970 249 HB3 PRO 34 HB3 PRO 34 -14.137 -7.891 11.073 250 HG2 PRO 34 HG2 PRO 34 -11.209 -7.619 11.811 251 HG3 PRO 34 HG3 PRO 34 -12.529 -8.362 12.755 252 HD2 PRO 34 HD2 PRO 34 -10.849 -9.871 11.270 253 HD3 PRO 34 HD3 PRO 34 -12.593 -10.267 11.356 254 H SER 35 H SER 35 -10.176 -7.555 9.792 255 HA SER 35 HA SER 35 -9.878 -5.008 8.619 256 HB2 SER 35 HB2 SER 35 -7.451 -5.627 8.492 257 HB3 SER 35 HB3 SER 35 -8.169 -5.898 10.077 258 HG SER 35 HG SER 35 -7.285 -7.730 8.138 259 H CYS 36 H CYS 36 -9.718 -8.265 7.311 260 HA CYS 36 HA CYS 36 -8.710 -7.711 4.731 261 HB2 CYS 36 HB2 CYS 36 -8.972 -9.940 5.982 262 HB3 CYS 36 HB3 CYS 36 -10.644 -9.944 5.445 263 H GLN 37 H GLN 37 -12.068 -8.234 5.833 264 HA GLN 37 HA GLN 37 -13.332 -7.618 3.400 265 HB2 GLN 37 HB2 GLN 37 -14.359 -7.139 6.230 266 HB3 GLN 37 HB3 GLN 37 -15.365 -7.177 4.782 267 HG2 GLN 37 HG2 GLN 37 -13.788 -9.542 5.868 268 HG3 GLN 37 HG3 GLN 37 -15.494 -9.247 6.135 269 HE21 GLN 37 HE21 GLN 37 -14.830 -11.702 5.028 270 HE22 GLN 37 HE22 GLN 37 -14.853 -11.699 3.293 271 H LYS 38 H LYS 38 -12.358 -5.335 6.028 272 HA LYS 38 HA LYS 38 -13.431 -2.996 4.721 273 HB2 LYS 38 HB2 LYS 38 -11.101 -3.281 6.675 274 HB3 LYS 38 HB3 LYS 38 -11.842 -1.753 6.202 275 HG2 LYS 38 HG2 LYS 38 -13.882 -2.236 7.338 276 HG3 LYS 38 HG3 LYS 38 -13.438 -3.935 7.586 277 HD2 LYS 38 HD2 LYS 38 -11.477 -3.204 8.968 278 HD3 LYS 38 HD3 LYS 38 -12.015 -1.518 8.797 279 HE2 LYS 38 HE2 LYS 38 -14.100 -2.020 9.954 280 HE3 LYS 38 HE3 LYS 38 -13.715 -3.752 9.993 281 HZ1 LYS 38 HZ1 LYS 38 -13.267 -2.588 12.060 282 HZ2 LYS 38 HZ2 LYS 38 -12.169 -1.632 11.353 283 HZ3 LYS 38 HZ3 LYS 38 -11.882 -3.273 11.465 284 H MET 39 H MET 39 -10.165 -4.471 4.749 285 HA MET 39 HA MET 39 -8.796 -2.513 3.238 286 HB2 MET 39 HB2 MET 39 -8.358 -5.466 3.726 287 HB3 MET 39 HB3 MET 39 -7.354 -4.614 2.574 288 HG2 MET 39 HG2 MET 39 -7.619 -3.891 5.509 289 HG3 MET 39 HG3 MET 39 -6.316 -4.817 4.779 290 HE1 MET 39 HE1 MET 39 -5.020 -3.602 2.492 291 HE2 MET 39 HE2 MET 39 -6.347 -2.552 1.943 292 HE3 MET 39 HE3 MET 39 -4.798 -1.842 2.425 293 H LYS 40 H LYS 40 -10.870 -5.223 2.185 294 HA LYS 40 HA LYS 40 -10.115 -5.244 -0.543 295 HB2 LYS 40 HB2 LYS 40 -12.463 -6.124 1.043 296 HB3 LYS 40 HB3 LYS 40 -12.825 -5.731 -0.650 297 HG2 LYS 40 HG2 LYS 40 -12.352 -8.012 -0.714 298 HG3 LYS 40 HG3 LYS 40 -10.867 -7.257 -1.303 299 HD2 LYS 40 HD2 LYS 40 -9.951 -7.439 1.060 300 HD3 LYS 40 HD3 LYS 40 -11.400 -8.312 1.514 301 HE2 LYS 40 HE2 LYS 40 -9.369 -9.208 -0.580 302 HE3 LYS 40 HE3 LYS 40 -9.484 -9.783 1.090 303 HZ1 LYS 40 HZ1 LYS 40 -11.220 -10.399 -1.161 304 HZ2 LYS 40 HZ2 LYS 40 -11.903 -10.348 0.323 305 HZ3 LYS 40 HZ3 LYS 40 -10.653 -11.379 0.024 306 H ARG 41 H ARG 41 -12.246 -2.923 1.192 307 HA ARG 41 HA ARG 41 -13.269 -1.653 -1.119 308 HB2 ARG 41 HB2 ARG 41 -13.993 -1.389 1.312 309 HB3 ARG 41 HB3 ARG 41 -12.586 -0.342 1.556 310 HG2 ARG 41 HG2 ARG 41 -13.465 1.186 -0.226 311 HG3 ARG 41 HG3 ARG 41 -14.900 0.164 -0.371 312 HD2 ARG 41 HD2 ARG 41 -13.977 1.633 2.143 313 HD3 ARG 41 HD3 ARG 41 -15.263 2.168 1.066 314 HE ARG 41 HE ARG 41 -15.387 0.153 3.147 315 HH11 ARG 41 HH11 ARG 41 -17.001 1.322 0.202 316 HH12 ARG 41 HH12 ARG 41 -18.562 0.790 0.663 317 HH21 ARG 41 HH21 ARG 41 -17.371 -0.538 3.782 318 HH22 ARG 41 HH22 ARG 41 -18.783 -0.420 2.774 319 H VAL 42 H VAL 42 -10.237 -1.128 0.690 320 HA VAL 42 HA VAL 42 -9.340 1.087 -0.904 321 HB VAL 42 HB VAL 42 -7.589 -0.729 0.798 322 HG11 VAL 42 HG11 VAL 42 -6.495 1.082 -0.532 323 HG12 VAL 42 HG12 VAL 42 -7.524 2.278 0.277 324 HG13 VAL 42 HG13 VAL 42 -6.338 1.336 1.209 325 HG21 VAL 42 HG21 VAL 42 -8.099 0.771 2.745 326 HG22 VAL 42 HG22 VAL 42 -9.428 1.489 1.824 327 HG23 VAL 42 HG23 VAL 42 -9.473 -0.225 2.288 328 H VAL 43 H VAL 43 -8.821 -2.484 -1.000 329 HA VAL 43 HA VAL 43 -6.850 -2.360 -3.095 330 HB VAL 43 HB VAL 43 -8.617 -4.644 -2.155 331 HG11 VAL 43 HG11 VAL 43 -7.869 -5.275 -4.336 332 HG12 VAL 43 HG12 VAL 43 -6.244 -4.596 -4.074 333 HG13 VAL 43 HG13 VAL 43 -6.764 -6.062 -3.222 334 HG21 VAL 43 HG21 VAL 43 -5.680 -3.994 -1.591 335 HG22 VAL 43 HG22 VAL 43 -6.995 -3.756 -0.436 336 HG23 VAL 43 HG23 VAL 43 -6.589 -5.391 -0.968 337 H GLN 44 H GLN 44 -10.414 -2.546 -3.104 338 HA GLN 44 HA GLN 44 -10.634 -2.719 -5.975 339 HB2 GLN 44 HB2 GLN 44 -12.610 -2.058 -3.757 340 HB3 GLN 44 HB3 GLN 44 -13.046 -2.074 -5.474 341 HG2 GLN 44 HG2 GLN 44 -12.295 -4.407 -5.695 342 HG3 GLN 44 HG3 GLN 44 -11.838 -4.455 -3.997 343 HE21 GLN 44 HE21 GLN 44 -14.386 -5.009 -6.199 344 HE22 GLN 44 HE22 GLN 44 -15.488 -5.510 -4.931 345 H HIS 45 H HIS 45 -10.223 0.001 -3.701 346 HA HIS 45 HA HIS 45 -11.276 2.040 -5.291 347 HB2 HIS 45 HB2 HIS 45 -10.604 2.680 -3.115 348 HB3 HIS 45 HB3 HIS 45 -8.977 2.038 -3.326 349 HD1 HIS 45 HD1 HIS 45 -11.045 5.020 -4.623 350 HD2 HIS 45 HD2 HIS 45 -7.144 3.473 -4.458 351 HE1 HIS 45 HE1 HIS 45 -9.532 6.789 -5.645 352 H THR 46 H THR 46 -7.845 0.750 -5.343 353 HA THR 46 HA THR 46 -7.101 2.427 -7.488 354 HB THR 46 HB THR 46 -5.586 1.315 -5.965 355 HG1 THR 46 HG1 THR 46 -5.053 0.959 -8.709 356 HG21 THR 46 HG21 THR 46 -4.679 -0.928 -6.597 357 HG22 THR 46 HG22 THR 46 -6.167 -1.210 -7.527 358 HG23 THR 46 HG23 THR 46 -6.246 -0.899 -5.767 359 H LYS 47 H LYS 47 -8.980 -0.584 -7.543 360 HA LYS 47 HA LYS 47 -8.511 -1.251 -10.282 361 HB2 LYS 47 HB2 LYS 47 -9.570 -2.678 -8.412 362 HB3 LYS 47 HB3 LYS 47 -11.091 -1.846 -8.773 363 HG2 LYS 47 HG2 LYS 47 -10.912 -2.595 -11.141 364 HG3 LYS 47 HG3 LYS 47 -9.404 -3.420 -10.764 365 HD2 LYS 47 HD2 LYS 47 -12.165 -4.115 -9.666 366 HD3 LYS 47 HD3 LYS 47 -11.266 -4.997 -10.909 367 HE2 LYS 47 HE2 LYS 47 -9.411 -5.333 -9.194 368 HE3 LYS 47 HE3 LYS 47 -10.510 -4.641 -7.996 369 HZ1 LYS 47 HZ1 LYS 47 -11.994 -6.489 -8.334 370 HZ2 LYS 47 HZ2 LYS 47 -10.490 -7.035 -7.984 371 HZ3 LYS 47 HZ3 LYS 47 -11.036 -7.120 -9.514 372 H GLY 48 H GLY 48 -10.715 1.060 -8.708 373 HA2 GLY 48 HA2 GLY 48 -11.978 1.755 -11.311 374 HA3 GLY 48 HA3 GLY 48 -12.444 2.313 -9.701 375 H CYS 49 H CYS 49 -9.590 2.999 -9.014 376 HA CYS 49 HA CYS 49 -9.599 5.712 -10.034 377 HB2 CYS 49 HB2 CYS 49 -8.865 4.567 -7.658 378 HB3 CYS 49 HB3 CYS 49 -7.291 4.691 -8.506 379 H LYS 50 H LYS 50 -9.215 5.616 -12.186 380 HA LYS 50 HA LYS 50 -6.790 4.264 -13.193 381 HB2 LYS 50 HB2 LYS 50 -9.052 4.086 -14.279 382 HB3 LYS 50 HB3 LYS 50 -8.940 5.783 -14.705 383 HG2 LYS 50 HG2 LYS 50 -8.414 4.174 -16.516 384 HG3 LYS 50 HG3 LYS 50 -7.150 5.366 -16.252 385 HD2 LYS 50 HD2 LYS 50 -5.773 3.675 -15.090 386 HD3 LYS 50 HD3 LYS 50 -7.089 2.478 -15.248 387 HE2 LYS 50 HE2 LYS 50 -6.933 2.634 -17.713 388 HE3 LYS 50 HE3 LYS 50 -5.698 3.894 -17.562 389 HZ1 LYS 50 HZ1 LYS 50 -4.226 2.332 -16.575 390 HZ2 LYS 50 HZ2 LYS 50 -4.712 1.781 -18.018 391 HZ3 LYS 50 HZ3 LYS 50 -5.343 1.082 -16.700 392 H ARG 51 H ARG 51 -7.145 7.040 -11.569 393 HA ARG 51 HA ARG 51 -6.228 9.153 -13.033 394 HB2 ARG 51 HB2 ARG 51 -5.553 8.457 -10.160 395 HB3 ARG 51 HB3 ARG 51 -5.264 10.023 -10.908 396 HG2 ARG 51 HG2 ARG 51 -7.720 10.144 -11.440 397 HG3 ARG 51 HG3 ARG 51 -7.971 8.673 -10.495 398 HD2 ARG 51 HD2 ARG 51 -7.311 9.735 -8.451 399 HD3 ARG 51 HD3 ARG 51 -6.575 11.098 -9.312 400 HE ARG 51 HE ARG 51 -8.624 12.013 -9.837 401 HH11 ARG 51 HH11 ARG 51 -9.243 8.978 -8.018 402 HH12 ARG 51 HH12 ARG 51 -10.846 9.505 -7.548 403 HH21 ARG 51 HH21 ARG 51 -10.707 12.548 -9.281 404 HH22 ARG 51 HH22 ARG 51 -11.815 11.341 -8.652 405 H LYS 52 H LYS 52 -4.211 6.392 -12.237 406 HA LYS 52 HA LYS 52 -1.633 7.555 -12.484 407 HB2 LYS 52 HB2 LYS 52 -2.736 4.844 -13.325 408 HB3 LYS 52 HB3 LYS 52 -1.042 5.293 -13.565 409 HG2 LYS 52 HG2 LYS 52 -0.714 5.662 -11.179 410 HG3 LYS 52 HG3 LYS 52 -2.427 5.293 -10.844 411 HD2 LYS 52 HD2 LYS 52 -2.172 3.018 -11.575 412 HD3 LYS 52 HD3 LYS 52 -0.609 3.354 -12.317 413 HE2 LYS 52 HE2 LYS 52 -0.233 2.118 -10.293 414 HE3 LYS 52 HE3 LYS 52 0.366 3.768 -10.057 415 HZ1 LYS 52 HZ1 LYS 52 -2.273 2.778 -9.173 416 HZ2 LYS 52 HZ2 LYS 52 -1.596 4.276 -8.816 417 HZ3 LYS 52 HZ3 LYS 52 -0.949 2.902 -8.200 418 H THR 53 H THR 53 -4.031 6.812 -14.985 419 HA THR 53 HA THR 53 -2.432 7.031 -17.253 420 HB THR 53 HB THR 53 -4.865 6.370 -17.066 421 HG1 THR 53 HG1 THR 53 -3.984 8.101 -19.111 422 HG21 THR 53 HG21 THR 53 -5.470 9.316 -17.535 423 HG22 THR 53 HG22 THR 53 -5.712 8.506 -15.977 424 HG23 THR 53 HG23 THR 53 -6.617 7.969 -17.403 425 H ASN 54 H ASN 54 -3.435 9.653 -15.090 426 HA ASN 54 HA ASN 54 -2.373 11.702 -16.979 427 HB2 ASN 54 HB2 ASN 54 -4.096 12.079 -14.509 428 HB3 ASN 54 HB3 ASN 54 -3.460 13.358 -15.536 429 HD21 ASN 54 HD21 ASN 54 -6.218 11.543 -14.976 430 HD22 ASN 54 HD22 ASN 54 -6.886 11.479 -16.612 431 H GLY 55 H GLY 55 -2.277 10.520 -13.563 432 HA2 GLY 55 HA2 GLY 55 0.576 11.182 -13.401 433 HA3 GLY 55 HA3 GLY 55 -0.480 12.146 -12.364 434 H GLY 56 H GLY 56 -2.063 10.765 -10.885 435 HA2 GLY 56 HA2 GLY 56 -1.731 8.091 -10.313 436 HA3 GLY 56 HA3 GLY 56 -0.491 8.955 -9.380 437 H CYS 57 H CYS 57 -3.149 7.616 -8.713 438 HA CYS 57 HA CYS 57 -4.996 9.573 -7.786 439 HB2 CYS 57 HB2 CYS 57 -4.701 6.975 -6.341 440 HB3 CYS 57 HB3 CYS 57 -6.161 7.797 -6.954 441 HA PRO 58 HA PRO 58 -3.105 10.694 -3.893 442 HB2 PRO 58 HB2 PRO 58 -5.227 10.837 -2.126 443 HB3 PRO 58 HB3 PRO 58 -4.892 12.068 -3.395 444 HG2 PRO 58 HG2 PRO 58 -6.763 9.683 -3.563 445 HG3 PRO 58 HG3 PRO 58 -7.140 11.401 -3.937 446 HD2 PRO 58 HD2 PRO 58 -6.514 9.749 -5.927 447 HD3 PRO 58 HD3 PRO 58 -5.719 11.358 -5.866 448 H ILE 59 H ILE 59 -5.691 8.308 -3.041 449 HA ILE 59 HA ILE 59 -4.308 7.083 -0.996 450 HB ILE 59 HB ILE 59 -6.454 6.042 -2.880 451 HG12 ILE 59 HG12 ILE 59 -7.798 6.147 -0.688 452 HG13 ILE 59 HG13 ILE 59 -6.452 7.081 -0.021 453 HG21 ILE 59 HG21 ILE 59 -6.917 4.184 -1.379 454 HG22 ILE 59 HG22 ILE 59 -5.282 4.034 -2.004 455 HG23 ILE 59 HG23 ILE 59 -5.538 4.620 -0.352 456 HD11 ILE 59 HD11 ILE 59 -8.500 8.332 -0.896 457 HD12 ILE 59 HD12 ILE 59 -6.925 8.910 -1.455 458 HD13 ILE 59 HD13 ILE 59 -7.940 7.885 -2.524 459 H CYS 60 H CYS 60 -4.443 6.034 -4.441 460 HA CYS 60 HA CYS 60 -2.807 3.805 -4.153 461 HB2 CYS 60 HB2 CYS 60 -3.102 5.415 -6.708 462 HB3 CYS 60 HB3 CYS 60 -2.832 3.690 -6.495 463 H LYS 61 H LYS 61 -1.804 7.221 -4.639 464 HA LYS 61 HA LYS 61 0.878 6.435 -5.431 465 HB2 LYS 61 HB2 LYS 61 1.435 8.600 -5.492 466 HB3 LYS 61 HB3 LYS 61 -0.268 8.674 -5.879 467 HG2 LYS 61 HG2 LYS 61 -0.390 9.255 -3.235 468 HG3 LYS 61 HG3 LYS 61 1.290 9.673 -3.515 469 HD2 LYS 61 HD2 LYS 61 0.421 11.093 -5.491 470 HD3 LYS 61 HD3 LYS 61 -1.187 10.835 -4.860 471 HE2 LYS 61 HE2 LYS 61 1.188 12.152 -3.449 472 HE3 LYS 61 HE3 LYS 61 -0.241 12.986 -4.064 473 HZ1 LYS 61 HZ1 LYS 61 -1.553 12.048 -2.323 474 HZ2 LYS 61 HZ2 LYS 61 -0.192 12.628 -1.672 475 HZ3 LYS 61 HZ3 LYS 61 -0.299 11.028 -1.848 476 H GLN 62 H GLN 62 -0.595 7.411 -2.364 477 HA GLN 62 HA GLN 62 1.725 7.199 -0.748 478 HB2 GLN 62 HB2 GLN 62 -1.111 6.464 0.104 479 HB3 GLN 62 HB3 GLN 62 0.225 6.875 1.169 480 HG2 GLN 62 HG2 GLN 62 -1.162 8.774 -0.769 481 HG3 GLN 62 HG3 GLN 62 -1.386 8.715 0.965 482 HE21 GLN 62 HE21 GLN 62 0.426 9.390 2.374 483 HE22 GLN 62 HE22 GLN 62 1.505 10.601 1.754 484 H LEU 63 H LEU 63 -0.626 4.721 -1.763 485 HA LEU 63 HA LEU 63 0.414 2.544 -0.332 486 HB2 LEU 63 HB2 LEU 63 -1.805 2.673 -1.430 487 HB3 LEU 63 HB3 LEU 63 -1.025 2.621 -3.014 488 HG LEU 63 HG LEU 63 -0.178 0.330 -2.555 489 HD11 LEU 63 HD11 LEU 63 0.022 0.296 -0.140 490 HD12 LEU 63 HD12 LEU 63 -1.200 -0.889 -0.584 491 HD13 LEU 63 HD13 LEU 63 -1.691 0.699 0.075 492 HD21 LEU 63 HD21 LEU 63 -3.155 0.752 -2.152 493 HD22 LEU 63 HD22 LEU 63 -2.376 -0.763 -2.665 494 HD23 LEU 63 HD23 LEU 63 -2.301 0.668 -3.706 495 H ILE 64 H ILE 64 1.575 3.876 -3.473 496 HA ILE 64 HA ILE 64 3.016 1.543 -4.254 497 HB ILE 64 HB ILE 64 3.420 4.464 -4.978 498 HG12 ILE 64 HG12 ILE 64 2.413 2.103 -6.652 499 HG13 ILE 64 HG13 ILE 64 1.338 3.087 -5.690 500 HG21 ILE 64 HG21 ILE 64 5.587 3.299 -5.285 501 HG22 ILE 64 HG22 ILE 64 4.764 1.992 -6.174 502 HG23 ILE 64 HG23 ILE 64 4.852 3.638 -6.843 503 HD11 ILE 64 HD11 ILE 64 1.999 5.111 -6.957 504 HD12 ILE 64 HD12 ILE 64 2.996 4.089 -8.021 505 HD13 ILE 64 HD13 ILE 64 1.244 3.857 -7.955 506 H ALA 65 H ALA 65 3.786 4.121 -1.951 507 HA ALA 65 HA ALA 65 6.532 3.571 -1.570 508 HB1 ALA 65 HB1 ALA 65 5.253 5.495 -0.520 509 HB2 ALA 65 HB2 ALA 65 4.500 4.319 0.585 510 HB3 ALA 65 HB3 ALA 65 6.238 4.580 0.645 511 H LEU 66 H LEU 66 3.624 1.997 -0.204 512 HA LEU 66 HA LEU 66 5.120 0.287 1.582 513 HB2 LEU 66 HB2 LEU 66 2.280 -0.082 0.508 514 HB3 LEU 66 HB3 LEU 66 3.041 -0.993 1.799 515 HG LEU 66 HG LEU 66 2.106 1.870 1.858 516 HD11 LEU 66 HD11 LEU 66 1.652 -0.625 3.561 517 HD12 LEU 66 HD12 LEU 66 0.485 0.194 2.515 518 HD13 LEU 66 HD13 LEU 66 1.064 0.962 4.007 519 HD21 LEU 66 HD21 LEU 66 3.237 1.781 4.266 520 HD22 LEU 66 HD22 LEU 66 4.193 2.237 2.848 521 HD23 LEU 66 HD23 LEU 66 4.281 0.596 3.493 522 H ALA 67 H ALA 67 3.823 -0.080 -1.697 523 HA ALA 67 HA ALA 67 4.410 -2.850 -1.971 524 HB1 ALA 67 HB1 ALA 67 4.332 -2.404 -4.391 525 HB2 ALA 67 HB2 ALA 67 3.007 -1.583 -3.533 526 HB3 ALA 67 HB3 ALA 67 4.417 -0.658 -4.098 527 H ALA 68 H ALA 68 6.381 0.056 -2.735 528 HA ALA 68 HA ALA 68 8.719 -1.326 -3.571 529 HB1 ALA 68 HB1 ALA 68 8.252 1.068 -4.013 530 HB2 ALA 68 HB2 ALA 68 8.456 1.435 -2.287 531 HB3 ALA 68 HB3 ALA 68 9.836 0.846 -3.233 532 H TYR 69 H TYR 69 7.772 -0.077 -0.326 533 HA TYR 69 HA TYR 69 10.136 -0.714 1.072 534 HB2 TYR 69 HB2 TYR 69 8.530 0.727 2.092 535 HB3 TYR 69 HB3 TYR 69 7.217 -0.413 1.846 536 HD1 TYR 69 HD1 TYR 69 9.787 0.656 4.194 537 HD2 TYR 69 HD2 TYR 69 7.067 -2.534 3.172 538 HE1 TYR 69 HE1 TYR 69 10.232 -0.443 6.376 539 HE2 TYR 69 HE2 TYR 69 7.527 -3.637 5.319 540 HH TYR 69 HH TYR 69 9.260 -3.788 6.925 541 H HIS 70 H HIS 70 7.146 -2.695 0.554 542 HA HIS 70 HA HIS 70 8.208 -4.919 2.008 543 HB2 HIS 70 HB2 HIS 70 5.959 -5.058 2.034 544 HB3 HIS 70 HB3 HIS 70 5.761 -4.272 0.476 545 HD1 HIS 70 HD1 HIS 70 5.351 -7.621 1.962 546 HD2 HIS 70 HD2 HIS 70 6.141 -5.820 -1.746 547 HE1 HIS 70 HE1 HIS 70 4.583 -9.266 0.141 548 H ALA 71 H ALA 71 8.248 -4.034 -1.477 549 HA ALA 71 HA ALA 71 9.015 -6.553 -2.416 550 HB1 ALA 71 HB1 ALA 71 9.750 -3.819 -3.552 551 HB2 ALA 71 HB2 ALA 71 9.796 -5.365 -4.425 552 HB3 ALA 71 HB3 ALA 71 8.242 -4.720 -3.881 553 H LYS 72 H LYS 72 11.074 -4.172 -0.754 554 HA LYS 72 HA LYS 72 13.466 -5.436 -1.782 555 HB2 LYS 72 HB2 LYS 72 14.727 -3.999 -0.503 556 HB3 LYS 72 HB3 LYS 72 13.262 -3.059 -0.789 557 HG2 LYS 72 HG2 LYS 72 12.462 -3.878 1.526 558 HG3 LYS 72 HG3 LYS 72 14.055 -4.587 1.731 559 HD2 LYS 72 HD2 LYS 72 14.137 -2.569 2.863 560 HD3 LYS 72 HD3 LYS 72 15.080 -2.322 1.382 561 HE2 LYS 72 HE2 LYS 72 13.471 -0.898 0.435 562 HE3 LYS 72 HE3 LYS 72 12.148 -1.658 1.329 563 HZ1 LYS 72 HZ1 LYS 72 14.159 0.103 2.590 564 HZ2 LYS 72 HZ2 LYS 72 12.863 -0.652 3.302 565 HZ3 LYS 72 HZ3 LYS 72 12.604 0.517 2.202 566 H HIS 73 H HIS 73 11.128 -6.514 0.386 567 HA HIS 73 HA HIS 73 12.886 -8.504 1.698 568 HB2 HIS 73 HB2 HIS 73 10.357 -7.248 2.786 569 HB3 HIS 73 HB3 HIS 73 11.344 -8.459 3.587 570 HD1 HIS 73 HD1 HIS 73 10.581 -5.426 4.665 571 HD2 HIS 73 HD2 HIS 73 14.240 -7.019 3.317 572 HE1 HIS 73 HE1 HIS 73 12.386 -3.970 5.644 573 H CYS 74 H CYS 74 10.729 -8.127 -0.782 574 HA CYS 74 HA CYS 74 9.526 -10.812 -0.511 575 HB2 CYS 74 HB2 CYS 74 7.788 -9.082 0.109 576 HB3 CYS 74 HB3 CYS 74 8.040 -8.338 -1.460 577 H GLN 75 H GLN 75 10.704 -11.796 -2.090 578 HA GLN 75 HA GLN 75 10.553 -10.692 -4.825 579 HB2 GLN 75 HB2 GLN 75 12.947 -11.517 -5.191 580 HB3 GLN 75 HB3 GLN 75 12.767 -9.983 -4.365 581 HG2 GLN 75 HG2 GLN 75 13.641 -10.721 -2.408 582 HG3 GLN 75 HG3 GLN 75 12.979 -12.346 -2.536 583 HE21 GLN 75 HE21 GLN 75 14.261 -14.013 -3.440 584 HE22 GLN 75 HE22 GLN 75 15.929 -13.723 -3.876 585 H GLU 76 H GLU 76 8.805 -12.295 -5.050 586 HA GLU 76 HA GLU 76 9.951 -15.029 -5.189 587 HB2 GLU 76 HB2 GLU 76 7.621 -15.729 -4.325 588 HB3 GLU 76 HB3 GLU 76 8.902 -15.201 -3.239 589 HG2 GLU 76 HG2 GLU 76 7.697 -12.859 -3.279 590 HG3 GLU 76 HG3 GLU 76 6.355 -13.757 -3.979 591 H ASN 77 H ASN 77 8.351 -16.475 -6.387 592 HA ASN 77 HA ASN 77 8.140 -15.327 -9.034 593 HB2 ASN 77 HB2 ASN 77 7.456 -17.494 -9.719 594 HB3 ASN 77 HB3 ASN 77 8.799 -17.698 -8.588 595 HD21 ASN 77 HD21 ASN 77 6.421 -19.580 -9.378 596 HD22 ASN 77 HD22 ASN 77 5.703 -19.952 -7.844 597 H LYS 78 H LYS 78 5.874 -15.845 -6.362 598 HA LYS 78 HA LYS 78 3.686 -14.753 -8.050 599 HB2 LYS 78 HB2 LYS 78 3.815 -17.405 -6.737 600 HB3 LYS 78 HB3 LYS 78 2.459 -16.474 -6.174 601 HG2 LYS 78 HG2 LYS 78 1.627 -17.751 -7.885 602 HG3 LYS 78 HG3 LYS 78 1.712 -16.116 -8.533 603 HD2 LYS 78 HD2 LYS 78 3.658 -16.688 -9.865 604 HD3 LYS 78 HD3 LYS 78 3.782 -18.282 -9.070 605 HE2 LYS 78 HE2 LYS 78 1.557 -18.894 -9.973 606 HE3 LYS 78 HE3 LYS 78 1.428 -17.308 -10.748 607 HZ1 LYS 78 HZ1 LYS 78 3.327 -17.846 -12.082 608 HZ2 LYS 78 HZ2 LYS 78 2.165 -18.977 -12.292 609 HZ3 LYS 78 HZ3 LYS 78 3.455 -19.370 -11.379 610 H CYS 79 H CYS 79 4.761 -12.825 -7.033 611 HA CYS 79 HA CYS 79 4.732 -12.285 -4.278 612 HB2 CYS 79 HB2 CYS 79 4.807 -10.650 -6.745 613 HB3 CYS 79 HB3 CYS 79 4.028 -9.852 -5.423 614 HA PRO 80 HA PRO 80 0.329 -12.608 -3.707 615 HB2 PRO 80 HB2 PRO 80 0.089 -11.973 -1.049 616 HB3 PRO 80 HB3 PRO 80 0.775 -13.512 -1.655 617 HG2 PRO 80 HG2 PRO 80 2.275 -11.007 -0.820 618 HG3 PRO 80 HG3 PRO 80 2.572 -12.704 -0.313 619 HD2 PRO 80 HD2 PRO 80 3.986 -11.536 -2.331 620 HD3 PRO 80 HD3 PRO 80 3.497 -13.258 -2.421 621 H VAL 81 H VAL 81 1.943 -9.439 -3.373 622 HA VAL 81 HA VAL 81 -0.728 -8.206 -3.079 623 HB VAL 81 HB VAL 81 2.002 -7.014 -2.553 624 HG11 VAL 81 HG11 VAL 81 0.786 -5.107 -1.620 625 HG12 VAL 81 HG12 VAL 81 0.328 -5.302 -3.307 626 HG13 VAL 81 HG13 VAL 81 -0.766 -5.855 -2.013 627 HG21 VAL 81 HG21 VAL 81 -0.080 -8.294 -0.855 628 HG22 VAL 81 HG22 VAL 81 1.693 -8.471 -0.838 629 HG23 VAL 81 HG23 VAL 81 0.936 -7.007 -0.179 630 HA PRO 82 HA PRO 82 -0.531 -7.502 -7.395 631 HB2 PRO 82 HB2 PRO 82 -2.251 -5.364 -7.782 632 HB3 PRO 82 HB3 PRO 82 -2.748 -7.058 -7.481 633 HG2 PRO 82 HG2 PRO 82 -2.545 -4.812 -5.490 634 HG3 PRO 82 HG3 PRO 82 -3.869 -5.998 -5.692 635 HD2 PRO 82 HD2 PRO 82 -1.959 -6.338 -3.794 636 HD3 PRO 82 HD3 PRO 82 -2.607 -7.731 -4.710 637 H PHE 83 H PHE 83 -0.197 -4.450 -5.399 638 HA PHE 83 HA PHE 83 1.294 -3.172 -7.521 639 HB2 PHE 83 HB2 PHE 83 0.863 -2.517 -4.601 640 HB3 PHE 83 HB3 PHE 83 2.054 -1.678 -5.580 641 HD1 PHE 83 HD1 PHE 83 -0.983 -2.577 -7.468 642 HD2 PHE 83 HD2 PHE 83 0.921 0.388 -4.959 643 HE1 PHE 83 HE1 PHE 83 -2.523 -0.861 -8.310 644 HE2 PHE 83 HE2 PHE 83 -0.624 2.092 -5.806 645 HZ PHE 83 HZ PHE 83 -2.427 1.450 -7.467 646 H CYS 84 H CYS 84 2.417 -5.298 -4.747 647 HA CYS 84 HA CYS 84 5.124 -4.454 -5.098 648 HB2 CYS 84 HB2 CYS 84 5.764 -6.161 -3.746 649 HB3 CYS 84 HB3 CYS 84 4.226 -5.531 -3.087 650 H LEU 85 H LEU 85 3.176 -7.047 -6.435 651 HA LEU 85 HA LEU 85 5.140 -8.363 -7.948 652 HB2 LEU 85 HB2 LEU 85 2.888 -9.246 -7.651 653 HB3 LEU 85 HB3 LEU 85 2.181 -7.880 -8.502 654 HG LEU 85 HG LEU 85 3.176 -8.603 -10.623 655 HD11 LEU 85 HD11 LEU 85 4.200 -11.035 -9.101 656 HD12 LEU 85 HD12 LEU 85 5.232 -9.732 -9.728 657 HD13 LEU 85 HD13 LEU 85 4.313 -10.743 -10.851 658 HD21 LEU 85 HD21 LEU 85 0.961 -9.478 -9.998 659 HD22 LEU 85 HD22 LEU 85 1.708 -10.804 -9.105 660 HD23 LEU 85 HD23 LEU 85 1.868 -10.716 -10.876 661 H ASN 86 H ASN 86 3.342 -5.386 -8.575 662 HA ASN 86 HA ASN 86 4.280 -4.985 -11.283 663 HB2 ASN 86 HB2 ASN 86 3.001 -3.088 -9.289 664 HB3 ASN 86 HB3 ASN 86 3.760 -2.486 -10.743 665 HD21 ASN 86 HD21 ASN 86 1.243 -4.915 -9.733 666 HD22 ASN 86 HD22 ASN 86 0.316 -4.681 -11.219 667 H ILE 87 H ILE 87 5.636 -4.082 -8.094 668 HA ILE 87 HA ILE 87 7.618 -2.244 -8.988 669 HB ILE 87 HB ILE 87 7.806 -4.253 -6.687 670 HG12 ILE 87 HG12 ILE 87 5.886 -2.883 -6.311 671 HG13 ILE 87 HG13 ILE 87 7.142 -2.472 -5.177 672 HG21 ILE 87 HG21 ILE 87 10.006 -3.551 -7.068 673 HG22 ILE 87 HG22 ILE 87 9.502 -1.872 -7.325 674 HG23 ILE 87 HG23 ILE 87 9.442 -2.611 -5.699 675 HD11 ILE 87 HD11 ILE 87 6.370 -0.859 -7.646 676 HD12 ILE 87 HD12 ILE 87 5.910 -0.499 -5.977 677 HD13 ILE 87 HD13 ILE 87 7.610 -0.401 -6.447 678 H LYS 88 H LYS 88 7.744 -5.776 -8.516 679 HA LYS 88 HA LYS 88 10.413 -6.093 -9.561 680 HB2 LYS 88 HB2 LYS 88 8.142 -8.110 -9.461 681 HB3 LYS 88 HB3 LYS 88 9.856 -8.470 -9.678 682 HG2 LYS 88 HG2 LYS 88 10.337 -7.704 -7.376 683 HG3 LYS 88 HG3 LYS 88 8.652 -7.194 -7.174 684 HD2 LYS 88 HD2 LYS 88 8.829 -9.380 -6.196 685 HD3 LYS 88 HD3 LYS 88 7.867 -9.440 -7.693 686 HE2 LYS 88 HE2 LYS 88 9.432 -11.395 -7.452 687 HE3 LYS 88 HE3 LYS 88 9.694 -10.462 -8.916 688 HZ1 LYS 88 HZ1 LYS 88 11.799 -10.975 -7.901 689 HZ2 LYS 88 HZ2 LYS 88 11.353 -10.302 -6.475 690 HZ3 LYS 88 HZ3 LYS 88 11.586 -9.365 -7.783 691 H GLN 89 H GLN 89 7.192 -6.678 -10.988 692 HA GLN 89 HA GLN 89 7.989 -7.698 -13.483 693 HB2 GLN 89 HB2 GLN 89 5.638 -5.929 -12.708 694 HB3 GLN 89 HB3 GLN 89 5.906 -6.409 -14.380 695 HG2 GLN 89 HG2 GLN 89 5.819 -8.780 -13.754 696 HG3 GLN 89 HG3 GLN 89 5.404 -8.349 -12.095 697 HE21 GLN 89 HE21 GLN 89 4.016 -9.556 -14.701 698 HE22 GLN 89 HE22 GLN 89 2.496 -8.672 -14.776 699 H LYS 90 H LYS 90 7.308 -4.235 -12.747 700 HA LYS 90 HA LYS 90 8.296 -3.392 -15.313 701 HB2 LYS 90 HB2 LYS 90 7.864 -1.810 -12.734 702 HB3 LYS 90 HB3 LYS 90 8.201 -1.131 -14.329 703 HG2 LYS 90 HG2 LYS 90 6.085 -2.345 -15.161 704 HG3 LYS 90 HG3 LYS 90 5.753 -2.757 -13.474 705 HD2 LYS 90 HD2 LYS 90 4.490 -0.763 -13.972 706 HD3 LYS 90 HD3 LYS 90 5.849 -0.264 -12.945 707 HE2 LYS 90 HE2 LYS 90 7.115 0.264 -15.131 708 HE3 LYS 90 HE3 LYS 90 5.587 0.011 -15.977 709 HZ1 LYS 90 HZ1 LYS 90 6.194 2.327 -15.364 710 HZ2 LYS 90 HZ2 LYS 90 5.997 1.957 -13.807 711 HZ3 LYS 90 HZ3 LYS 90 4.679 1.868 -14.835 712 H GLY 91 H GLY 91 9.678 -3.311 -12.020 713 HA2 GLY 91 HA2 GLY 91 11.735 -2.712 -11.251 714 HA3 GLY 91 HA3 GLY 91 12.244 -3.971 -12.412 715 H THR 92 H THR 92 10.909 -0.666 -13.020 716 HA THR 92 HA THR 92 13.100 -0.009 -14.783 717 HB THR 92 HB THR 92 11.865 2.250 -14.726 718 HG1 THR 92 HG1 THR 92 9.826 2.204 -13.809 719 HG21 THR 92 HG21 THR 92 11.427 0.521 -16.473 720 HG22 THR 92 HG22 THR 92 9.968 1.426 -16.058 721 HG23 THR 92 HG23 THR 92 10.201 -0.222 -15.435 722 H ILE 93 H ILE 93 12.782 -0.100 -11.408 723 HA ILE 93 HA ILE 93 13.997 0.421 -9.671 724 HB ILE 93 HB ILE 93 16.070 1.612 -11.553 725 HG12 ILE 93 HG12 ILE 93 15.870 -1.277 -10.550 726 HG13 ILE 93 HG13 ILE 93 15.514 -0.748 -12.196 727 HG21 ILE 93 HG21 ILE 93 16.166 0.595 -8.703 728 HG22 ILE 93 HG22 ILE 93 17.625 0.986 -9.648 729 HG23 ILE 93 HG23 ILE 93 16.473 2.243 -9.270 730 HD11 ILE 93 HD11 ILE 93 17.834 0.144 -12.392 731 HD12 ILE 93 HD12 ILE 93 18.225 -0.732 -10.888 732 HD13 ILE 93 HD13 ILE 93 17.678 -1.606 -12.324 733 H GLU 94 H GLU 94 13.132 2.772 -11.890 734 HA GLU 94 HA GLU 94 13.440 5.074 -10.115 735 HB2 GLU 94 HB2 GLU 94 12.494 4.677 -12.975 736 HB3 GLU 94 HB3 GLU 94 12.559 6.253 -12.193 737 HG2 GLU 94 HG2 GLU 94 14.979 6.053 -11.856 738 HG3 GLU 94 HG3 GLU 94 14.980 4.419 -12.515 739 H GLY 95 H GLY 95 11.763 6.667 -9.937 740 HA2 GLY 95 HA2 GLY 95 9.668 7.588 -9.672 741 HA3 GLY 95 HA3 GLY 95 8.892 6.059 -10.144 742 H ARG 96 H ARG 96 9.890 4.236 -8.538 743 HA ARG 96 HA ARG 96 8.684 4.869 -5.987 744 HB2 ARG 96 HB2 ARG 96 9.378 2.565 -5.371 745 HB3 ARG 96 HB3 ARG 96 8.447 2.604 -6.868 746 HG2 ARG 96 HG2 ARG 96 10.413 2.203 -8.215 747 HG3 ARG 96 HG3 ARG 96 11.507 2.516 -6.870 748 HD2 ARG 96 HD2 ARG 96 10.621 0.559 -5.650 749 HD3 ARG 96 HD3 ARG 96 9.527 0.253 -7.006 750 HE ARG 96 HE ARG 96 11.194 -0.791 -8.112 751 HH11 ARG 96 HH11 ARG 96 12.876 1.411 -5.783 752 HH12 ARG 96 HH12 ARG 96 14.338 0.545 -5.903 753 HH21 ARG 96 HH21 ARG 96 13.210 -2.023 -8.023 754 HH22 ARG 96 HH22 ARG 96 14.590 -1.191 -7.417 755 H GLY 97 H GLY 97 12.044 4.742 -7.201 756 HA2 GLY 97 HA2 GLY 97 13.974 5.429 -6.219 757 HA3 GLY 97 HA3 GLY 97 13.007 6.183 -4.923 758 H ASN 98 H ASN 98 14.960 5.159 -3.683 759 HA ASN 98 HA ASN 98 14.557 2.254 -3.177 760 HB2 ASN 98 HB2 ASN 98 16.623 2.330 -1.893 761 HB3 ASN 98 HB3 ASN 98 16.827 2.795 -3.576 762 HD21 ASN 98 HD21 ASN 98 18.866 3.762 -3.023 763 HD22 ASN 98 HD22 ASN 98 18.857 5.377 -2.355 764 H GLU 99 H GLU 99 13.478 5.303 -1.943 765 HA GLU 99 HA GLU 99 12.281 4.052 0.360 766 HB2 GLU 99 HB2 GLU 99 13.068 5.745 1.850 767 HB3 GLU 99 HB3 GLU 99 14.519 5.147 1.046 768 HG2 GLU 99 HG2 GLU 99 14.325 7.118 -0.560 769 HG3 GLU 99 HG3 GLU 99 12.999 7.737 0.440 770 H PHE 100 H PHE 100 10.469 5.359 0.915 771 HA PHE 100 HA PHE 100 9.717 7.696 -0.699 772 HB2 PHE 100 HB2 PHE 100 9.066 5.676 -2.041 773 HB3 PHE 100 HB3 PHE 100 8.005 5.207 -0.731 774 HD1 PHE 100 HD1 PHE 100 6.768 5.231 -3.205 775 HD2 PHE 100 HD2 PHE 100 7.642 8.741 -0.843 776 HE1 PHE 100 HE1 PHE 100 4.997 6.484 -4.384 777 HE2 PHE 100 HE2 PHE 100 5.938 9.995 -2.079 778 HZ PHE 100 HZ PHE 100 4.589 8.865 -3.857 779 H LEU 101 H LEU 101 9.652 8.871 1.174 780 HA LEU 101 HA LEU 101 7.909 7.938 3.440 781 HB2 LEU 101 HB2 LEU 101 10.253 9.886 3.443 782 HB3 LEU 101 HB3 LEU 101 9.054 9.752 4.723 783 HG LEU 101 HG LEU 101 9.662 7.265 4.912 784 HD11 LEU 101 HD11 LEU 101 12.047 8.268 3.285 785 HD12 LEU 101 HD12 LEU 101 10.978 6.904 2.888 786 HD13 LEU 101 HD13 LEU 101 12.073 6.793 4.263 787 HD21 LEU 101 HD21 LEU 101 10.303 9.016 6.549 788 HD22 LEU 101 HD22 LEU 101 11.762 9.346 5.596 789 HD23 LEU 101 HD23 LEU 101 11.550 7.769 6.392 790 H SER 102 H SER 102 5.986 8.548 2.551 791 HA SER 102 HA SER 102 5.593 11.092 1.190 792 HB2 SER 102 HB2 SER 102 3.503 9.113 2.156 793 HB3 SER 102 HB3 SER 102 3.436 10.160 0.735 794 HG SER 102 HG SER 102 5.190 8.832 -0.133 795 HA PRO 103 HA PRO 103 4.234 13.425 4.732 796 HB2 PRO 103 HB2 PRO 103 1.849 14.659 4.027 797 HB3 PRO 103 HB3 PRO 103 3.433 15.119 3.374 798 HG2 PRO 103 HG2 PRO 103 1.355 13.330 2.128 799 HG3 PRO 103 HG3 PRO 103 2.314 14.643 1.368 800 HD2 PRO 103 HD2 PRO 103 2.970 12.045 1.102 801 HD3 PRO 103 HD3 PRO 103 4.222 13.305 1.217 802 H GLU 104 H GLU 104 2.228 13.899 6.234 803 HA GLU 104 HA GLU 104 1.434 11.733 7.704 804 HB2 GLU 104 HB2 GLU 104 -0.011 14.377 7.224 805 HB3 GLU 104 HB3 GLU 104 -0.433 13.244 8.515 806 HG2 GLU 104 HG2 GLU 104 1.756 13.466 9.522 807 HG3 GLU 104 HG3 GLU 104 2.336 14.480 8.207 808 H VAL 105 H VAL 105 -0.105 12.959 4.820 809 HA VAL 105 HA VAL 105 -2.602 11.898 4.835 810 HB VAL 105 HB VAL 105 -0.684 11.982 2.473 811 HG11 VAL 105 HG11 VAL 105 -2.738 10.761 1.891 812 HG12 VAL 105 HG12 VAL 105 -3.723 12.063 2.588 813 HG13 VAL 105 HG13 VAL 105 -2.747 12.355 1.134 814 HG21 VAL 105 HG21 VAL 105 -2.503 14.138 3.630 815 HG22 VAL 105 HG22 VAL 105 -0.731 14.186 3.527 816 HG23 VAL 105 HG23 VAL 105 -1.690 14.239 2.054 817 H PHE 106 H PHE 106 0.420 10.055 4.581 818 HA PHE 106 HA PHE 106 -0.498 7.628 3.451 819 HB2 PHE 106 HB2 PHE 106 1.838 7.913 3.931 820 HB3 PHE 106 HB3 PHE 106 1.529 8.266 5.631 821 HD1 PHE 106 HD1 PHE 106 1.234 5.518 3.086 822 HD2 PHE 106 HD2 PHE 106 1.477 6.503 7.276 823 HE1 PHE 106 HE1 PHE 106 1.488 3.168 3.623 824 HE2 PHE 106 HE2 PHE 106 1.676 4.104 7.829 825 HZ PHE 106 HZ PHE 106 1.842 2.405 6.016 826 H GLN 107 H GLN 107 -0.723 8.749 6.864 827 HA GLN 107 HA GLN 107 -1.938 6.287 7.780 828 HB2 GLN 107 HB2 GLN 107 -1.727 9.037 9.066 829 HB3 GLN 107 HB3 GLN 107 -2.280 7.564 9.874 830 HG2 GLN 107 HG2 GLN 107 -0.078 6.488 9.481 831 HG3 GLN 107 HG3 GLN 107 0.495 7.963 8.673 832 HE21 GLN 107 HE21 GLN 107 0.166 6.419 11.760 833 HE22 GLN 107 HE22 GLN 107 0.381 7.885 12.711 834 H HIS 108 H HIS 108 -3.172 9.187 6.240 835 HA HIS 108 HA HIS 108 -5.808 9.103 7.323 836 HB2 HIS 108 HB2 HIS 108 -4.966 10.029 4.545 837 HB3 HIS 108 HB3 HIS 108 -6.489 10.351 5.314 838 HD1 HIS 108 HD1 HIS 108 -5.533 12.915 4.620 839 HD2 HIS 108 HD2 HIS 108 -3.747 10.927 7.893 840 HE1 HIS 108 HE1 HIS 108 -4.378 14.701 6.054 841 H ILE 109 H ILE 109 -4.222 7.050 4.928 842 HA ILE 109 HA ILE 109 -6.654 6.088 3.749 843 HB ILE 109 HB ILE 109 -3.893 4.797 3.797 844 HG12 ILE 109 HG12 ILE 109 -4.083 5.354 1.257 845 HG13 ILE 109 HG13 ILE 109 -5.369 6.459 1.730 846 HG21 ILE 109 HG21 ILE 109 -5.634 3.074 3.476 847 HG22 ILE 109 HG22 ILE 109 -6.413 4.067 2.239 848 HG23 ILE 109 HG23 ILE 109 -4.801 3.353 1.955 849 HD11 ILE 109 HD11 ILE 109 -3.759 7.701 3.093 850 HD12 ILE 109 HD12 ILE 109 -2.462 6.619 2.536 851 HD13 ILE 109 HD13 ILE 109 -3.338 7.651 1.387 852 H TRP 110 H TRP 110 -4.643 5.039 6.489 853 HA TRP 110 HA TRP 110 -6.243 2.737 7.043 854 HB2 TRP 110 HB2 TRP 110 -4.376 4.121 8.973 855 HB3 TRP 110 HB3 TRP 110 -4.791 2.406 8.838 856 HD1 TRP 110 HD1 TRP 110 -1.863 4.193 8.401 857 HE1 TRP 110 HE1 TRP 110 -0.416 3.539 6.409 858 HE3 TRP 110 HE3 TRP 110 -5.228 1.330 5.900 859 HZ2 TRP 110 HZ2 TRP 110 -0.772 2.082 3.897 860 HZ3 TRP 110 HZ3 TRP 110 -4.720 0.335 3.725 861 HH2 TRP 110 HH2 TRP 110 -2.470 0.699 2.680 862 H ASP 111 H ASP 111 -6.601 6.079 7.760 863 HA ASP 111 HA ASP 111 -8.424 5.750 10.014 864 HB2 ASP 111 HB2 ASP 111 -6.984 7.775 9.660 865 HB3 ASP 111 HB3 ASP 111 -7.930 8.165 8.220 866 H PHE 112 H PHE 112 -8.819 6.810 6.526 867 HA PHE 112 HA PHE 112 -11.637 6.741 6.768 868 HB2 PHE 112 HB2 PHE 112 -11.871 7.251 4.561 869 HB3 PHE 112 HB3 PHE 112 -10.333 7.974 4.969 870 HD1 PHE 112 HD1 PHE 112 -11.897 4.895 3.386 871 HD2 PHE 112 HD2 PHE 112 -8.461 7.493 3.594 872 HE1 PHE 112 HE1 PHE 112 -10.797 3.583 1.617 873 HE2 PHE 112 HE2 PHE 112 -7.476 6.294 1.696 874 HZ PHE 112 HZ PHE 112 -8.567 4.282 0.747 875 H LEU 113 H LEU 113 -9.426 4.065 6.014 876 HA LEU 113 HA LEU 113 -11.521 2.423 4.938 877 HB2 LEU 113 HB2 LEU 113 -10.143 0.641 4.876 878 HB3 LEU 113 HB3 LEU 113 -9.124 2.040 4.627 879 HG LEU 113 HG LEU 113 -8.348 1.825 7.026 880 HD11 LEU 113 HD11 LEU 113 -10.097 0.411 8.065 881 HD12 LEU 113 HD12 LEU 113 -8.570 -0.441 8.067 882 HD13 LEU 113 HD13 LEU 113 -9.816 -0.847 6.859 883 HD21 LEU 113 HD21 LEU 113 -6.889 -0.096 6.431 884 HD22 LEU 113 HD22 LEU 113 -7.167 0.966 5.018 885 HD23 LEU 113 HD23 LEU 113 -8.044 -0.563 5.157 886 H GLU 114 H GLU 114 -10.933 3.453 8.161 887 HA GLU 114 HA GLU 114 -12.570 1.292 9.342 888 HB2 GLU 114 HB2 GLU 114 -11.046 3.683 10.456 889 HB3 GLU 114 HB3 GLU 114 -12.215 2.828 11.441 890 HG2 GLU 114 HG2 GLU 114 -9.820 1.481 10.123 891 HG3 GLU 114 HG3 GLU 114 -9.846 2.103 11.769 892 H GLN 115 H GLN 115 -13.009 4.474 7.973 893 HA GLN 115 HA GLN 115 -15.570 4.965 9.341 894 HB2 GLN 115 HB2 GLN 115 -13.986 6.483 7.223 895 HB3 GLN 115 HB3 GLN 115 -15.436 7.092 8.015 896 HG2 GLN 115 HG2 GLN 115 -14.297 7.105 10.194 897 HG3 GLN 115 HG3 GLN 115 -12.844 6.429 9.474 898 HE21 GLN 115 HE21 GLN 115 -14.184 9.389 10.463 899 HE22 GLN 115 HE22 GLN 115 -13.063 10.353 9.525 900 HA PRO 116 HA PRO 116 -17.907 3.432 5.805 901 HB2 PRO 116 HB2 PRO 116 -20.315 4.590 6.105 902 HB3 PRO 116 HB3 PRO 116 -19.649 3.539 7.385 903 HG2 PRO 116 HG2 PRO 116 -19.539 6.588 7.262 904 HG3 PRO 116 HG3 PRO 116 -20.096 5.574 8.618 905 HD2 PRO 116 HD2 PRO 116 -17.538 6.543 8.437 906 HD3 PRO 116 HD3 PRO 116 -17.913 4.961 9.187 907 H ILE 117 H ILE 117 -16.137 4.735 4.594 908 HA ILE 117 HA ILE 117 -17.328 6.949 2.986 909 HB ILE 117 HB ILE 117 -14.438 6.595 3.904 910 HG12 ILE 117 HG12 ILE 117 -16.454 8.771 4.638 911 HG13 ILE 117 HG13 ILE 117 -15.988 7.441 5.692 912 HG21 ILE 117 HG21 ILE 117 -15.673 8.826 2.207 913 HG22 ILE 117 HG22 ILE 117 -13.982 8.733 2.742 914 HG23 ILE 117 HG23 ILE 117 -14.585 7.555 1.605 915 HD11 ILE 117 HD11 ILE 117 -14.149 9.661 4.752 916 HD12 ILE 117 HD12 ILE 117 -14.734 9.331 6.391 917 HD13 ILE 117 HD13 ILE 117 -13.616 8.205 5.619 918 H SER 118 H SER 118 -17.304 6.538 0.845 919 HA SER 118 HA SER 118 -15.393 4.650 -0.311 920 HB2 SER 118 HB2 SER 118 -17.481 3.397 0.648 921 HB3 SER 118 HB3 SER 118 -18.329 4.041 -0.748 922 HG SER 118 HG SER 118 -16.541 3.086 -2.008 923 H SER 119 H SER 119 -14.984 7.090 -0.872 924 HA SER 119 HA SER 119 -15.901 7.616 -3.497 925 HB2 SER 119 HB2 SER 119 -17.688 8.640 -1.898 926 HB3 SER 119 HB3 SER 119 -16.409 9.748 -1.378 927 HG SER 119 HG SER 119 -17.737 10.552 -3.066 928 H VAL 120 H VAL 120 -14.391 8.881 -4.443 929 HA VAL 120 HA VAL 120 -12.206 10.129 -3.001 930 HB VAL 120 HB VAL 120 -11.466 7.887 -4.932 931 HG11 VAL 120 HG11 VAL 120 -9.130 8.491 -4.301 932 HG12 VAL 120 HG12 VAL 120 -9.927 9.850 -5.063 933 HG13 VAL 120 HG13 VAL 120 -9.740 9.821 -3.301 934 HG21 VAL 120 HG21 VAL 120 -10.253 6.961 -2.896 935 HG22 VAL 120 HG22 VAL 120 -11.164 8.103 -1.913 936 HG23 VAL 120 HG23 VAL 120 -12.014 6.846 -2.862 937 H GLN 121 H GLN 121 -13.486 11.815 -3.902 938 HA GLN 121 HA GLN 121 -12.864 12.293 -6.777 939 HB2 GLN 121 HB2 GLN 121 -15.276 11.788 -6.469 940 HB3 GLN 121 HB3 GLN 121 -15.395 13.197 -5.398 941 HG2 GLN 121 HG2 GLN 121 -14.535 14.641 -7.304 942 HG3 GLN 121 HG3 GLN 121 -14.435 13.193 -8.301 943 HE21 GLN 121 HE21 GLN 121 -15.796 14.257 -9.802 944 HE22 GLN 121 HE22 GLN 121 -17.546 14.309 -9.559 945 HA PRO 122 HA PRO 122 -11.056 15.566 -4.010 946 HB2 PRO 122 HB2 PRO 122 -8.482 15.449 -4.839 947 HB3 PRO 122 HB3 PRO 122 -9.111 14.265 -3.650 948 HG2 PRO 122 HG2 PRO 122 -8.819 13.861 -6.639 949 HG3 PRO 122 HG3 PRO 122 -8.245 12.808 -5.313 950 HD2 PRO 122 HD2 PRO 122 -10.639 12.355 -6.510 951 HD3 PRO 122 HD3 PRO 122 -10.429 12.131 -4.754 952 H ILE 123 H ILE 123 -11.160 17.650 -4.902 953 HA ILE 123 HA ILE 123 -11.511 17.794 -7.856 954 HB ILE 123 HB ILE 123 -12.362 20.025 -7.493 955 HG12 ILE 123 HG12 ILE 123 -11.952 19.500 -4.517 956 HG13 ILE 123 HG13 ILE 123 -11.148 20.728 -5.500 957 HG21 ILE 123 HG21 ILE 123 -14.494 19.280 -6.602 958 HG22 ILE 123 HG22 ILE 123 -13.760 17.920 -7.449 959 HG23 ILE 123 HG23 ILE 123 -13.699 17.991 -5.674 960 HD11 ILE 123 HD11 ILE 123 -12.894 21.784 -4.206 961 HD12 ILE 123 HD12 ILE 123 -13.404 21.793 -5.909 962 HD13 ILE 123 HD13 ILE 123 -14.105 20.629 -4.769 963 H ASP 124 H ASP 124 -9.005 17.953 -5.806 964 HA ASP 124 HA ASP 124 -7.246 19.550 -7.582 965 HB2 ASP 124 HB2 ASP 124 -6.172 20.539 -5.695 966 HB3 ASP 124 HB3 ASP 124 -7.894 20.762 -5.408 Start of MODEL 6 1 H1 ALA 1 H ALA 1 23.946 1.313 11.650 2 HA ALA 1 HA ALA 1 25.881 -0.451 10.266 3 HB1 ALA 1 HB1 ALA 1 23.997 -1.717 11.300 4 HB2 ALA 1 HB2 ALA 1 22.845 -0.742 10.359 5 HB3 ALA 1 HB3 ALA 1 23.984 -1.827 9.536 6 H THR 2 H THR 2 24.965 -0.746 7.866 7 HA THR 2 HA THR 2 25.091 1.834 6.613 8 HB THR 2 HB THR 2 26.087 -0.255 5.716 9 HG1 THR 2 HG1 THR 2 25.621 1.425 4.322 10 HG21 THR 2 HG21 THR 2 23.258 -1.100 4.981 11 HG22 THR 2 HG22 THR 2 24.209 -1.852 6.259 12 HG23 THR 2 HG23 THR 2 24.774 -1.952 4.591 13 H GLN 3 H GLN 3 22.401 -0.394 7.438 14 HA GLN 3 HA GLN 3 20.388 0.844 5.853 15 HB2 GLN 3 HB2 GLN 3 20.202 -0.624 8.527 16 HB3 GLN 3 HB3 GLN 3 18.817 -0.187 7.526 17 HG2 GLN 3 HG2 GLN 3 19.670 -1.621 5.687 18 HG3 GLN 3 HG3 GLN 3 21.039 -2.097 6.704 19 HE21 GLN 3 HE21 GLN 3 18.548 -3.687 5.560 20 HE22 GLN 3 HE22 GLN 3 18.170 -4.588 7.021 21 H SER 4 H SER 4 19.089 2.679 6.227 22 HA SER 4 HA SER 4 20.037 4.625 8.127 23 HB2 SER 4 HB2 SER 4 17.600 4.409 6.315 24 HB3 SER 4 HB3 SER 4 17.851 5.785 7.403 25 HG SER 4 HG SER 4 19.481 6.468 6.292 26 HA PRO 5 HA PRO 5 17.673 3.248 11.665 27 HB2 PRO 5 HB2 PRO 5 17.277 5.600 13.030 28 HB3 PRO 5 HB3 PRO 5 18.862 4.775 12.921 29 HG2 PRO 5 HG2 PRO 5 17.826 7.084 11.257 30 HG3 PRO 5 HG3 PRO 5 19.427 6.919 12.046 31 HD2 PRO 5 HD2 PRO 5 19.076 6.369 9.424 32 HD3 PRO 5 HD3 PRO 5 20.180 5.389 10.436 33 H GLY 6 H GLY 6 15.816 2.502 10.713 34 HA2 GLY 6 HA2 GLY 6 13.551 4.416 10.318 35 HA3 GLY 6 HA3 GLY 6 13.899 3.092 9.211 36 H ASP 7 H ASP 7 14.056 2.720 12.844 37 HA ASP 7 HA ASP 7 12.377 0.410 12.651 38 HB2 ASP 7 HB2 ASP 7 13.886 0.763 14.542 39 HB3 ASP 7 HB3 ASP 7 12.888 2.123 15.086 40 H SER 8 H SER 8 11.685 3.835 13.347 41 HA SER 8 HA SER 8 8.950 3.652 14.021 42 HB2 SER 8 HB2 SER 8 9.069 6.110 13.268 43 HB3 SER 8 HB3 SER 8 10.270 5.618 14.482 44 HG SER 8 HG SER 8 11.225 6.824 12.768 45 H ARG 9 H ARG 9 10.645 4.093 10.990 46 HA ARG 9 HA ARG 9 8.381 4.405 9.237 47 HB2 ARG 9 HB2 ARG 9 11.283 3.567 8.724 48 HB3 ARG 9 HB3 ARG 9 10.099 3.785 7.441 49 HG2 ARG 9 HG2 ARG 9 9.788 6.094 7.976 50 HG3 ARG 9 HG3 ARG 9 10.689 5.963 9.490 51 HD2 ARG 9 HD2 ARG 9 12.780 5.610 8.212 52 HD3 ARG 9 HD3 ARG 9 11.873 5.784 6.694 53 HE ARG 9 HE ARG 9 11.259 7.975 8.362 54 HH11 ARG 9 HH11 ARG 9 13.929 6.901 6.272 55 HH12 ARG 9 HH12 ARG 9 14.620 8.487 6.131 56 HH21 ARG 9 HH21 ARG 9 12.167 10.040 8.204 57 HH22 ARG 9 HH22 ARG 9 13.473 10.348 7.138 58 H ARG 10 H ARG 10 10.483 1.555 9.914 59 HA ARG 10 HA ARG 10 9.017 -0.211 8.346 60 HB2 ARG 10 HB2 ARG 10 10.316 -1.900 9.118 61 HB3 ARG 10 HB3 ARG 10 11.353 -0.519 9.408 62 HG2 ARG 10 HG2 ARG 10 10.782 -0.662 11.819 63 HG3 ARG 10 HG3 ARG 10 9.658 -1.973 11.489 64 HD2 ARG 10 HD2 ARG 10 11.619 -2.899 12.383 65 HD3 ARG 10 HD3 ARG 10 11.485 -3.387 10.707 66 HE ARG 10 HE ARG 10 13.208 -1.619 10.174 67 HH11 ARG 10 HH11 ARG 10 13.089 -2.711 13.551 68 HH12 ARG 10 HH12 ARG 10 14.799 -2.982 13.658 69 HH21 ARG 10 HH21 ARG 10 15.396 -1.729 10.371 70 HH22 ARG 10 HH22 ARG 10 16.180 -2.279 11.838 71 H LEU 11 H LEU 11 8.584 0.164 11.960 72 HA LEU 11 HA LEU 11 6.453 -1.649 11.929 73 HB2 LEU 11 HB2 LEU 11 5.978 -1.074 14.138 74 HB3 LEU 11 HB3 LEU 11 7.712 -0.968 13.895 75 HG LEU 11 HG LEU 11 7.170 1.643 13.555 76 HD11 LEU 11 HD11 LEU 11 4.977 0.736 15.474 77 HD12 LEU 11 HD12 LEU 11 4.658 1.327 13.829 78 HD13 LEU 11 HD13 LEU 11 5.380 2.411 15.019 79 HD21 LEU 11 HD21 LEU 11 7.592 1.930 16.001 80 HD22 LEU 11 HD22 LEU 11 8.668 0.735 15.265 81 HD23 LEU 11 HD23 LEU 11 7.289 0.193 16.238 82 H SER 12 H SER 12 6.274 1.847 11.340 83 HA SER 12 HA SER 12 3.398 1.937 11.407 84 HB2 SER 12 HB2 SER 12 5.086 3.835 11.618 85 HB3 SER 12 HB3 SER 12 5.270 3.775 9.866 86 HG SER 12 HG SER 12 2.623 3.905 10.593 87 H ILE 13 H ILE 13 5.796 1.420 8.750 88 HA ILE 13 HA ILE 13 3.768 1.353 6.704 89 HB ILE 13 HB ILE 13 6.666 0.414 6.826 90 HG12 ILE 13 HG12 ILE 13 5.387 2.705 5.246 91 HG13 ILE 13 HG13 ILE 13 6.042 2.936 6.859 92 HG21 ILE 13 HG21 ILE 13 4.602 0.265 4.610 93 HG22 ILE 13 HG22 ILE 13 6.349 0.285 4.262 94 HG23 ILE 13 HG23 ILE 13 5.651 -1.008 5.239 95 HD11 ILE 13 HD11 ILE 13 8.275 2.120 6.064 96 HD12 ILE 13 HD12 ILE 13 7.630 2.084 4.408 97 HD13 ILE 13 HD13 ILE 13 7.713 3.612 5.294 98 H GLN 14 H GLN 14 5.568 -1.242 8.470 99 HA GLN 14 HA GLN 14 4.252 -3.425 7.325 100 HB2 GLN 14 HB2 GLN 14 5.557 -3.122 10.052 101 HB3 GLN 14 HB3 GLN 14 4.989 -4.657 9.382 102 HG2 GLN 14 HG2 GLN 14 6.500 -4.461 7.455 103 HG3 GLN 14 HG3 GLN 14 7.038 -2.890 7.990 104 HE21 GLN 14 HE21 GLN 14 7.162 -6.396 8.740 105 HE22 GLN 14 HE22 GLN 14 8.616 -6.261 9.725 106 H ARG 15 H ARG 15 2.991 -1.218 9.828 107 HA ARG 15 HA ARG 15 0.946 -2.923 10.896 108 HB2 ARG 15 HB2 ARG 15 1.392 -0.816 11.987 109 HB3 ARG 15 HB3 ARG 15 1.209 0.074 10.493 110 HG2 ARG 15 HG2 ARG 15 -0.675 0.572 11.802 111 HG3 ARG 15 HG3 ARG 15 -1.219 -0.367 10.444 112 HD2 ARG 15 HD2 ARG 15 -2.387 -1.071 12.459 113 HD3 ARG 15 HD3 ARG 15 -1.412 -2.375 11.819 114 HE ARG 15 HE ARG 15 -0.294 -2.474 13.750 115 HH11 ARG 15 HH11 ARG 15 -1.827 0.734 13.702 116 HH12 ARG 15 HH12 ARG 15 -0.829 1.461 14.894 117 HH21 ARG 15 HH21 ARG 15 0.839 -1.640 15.677 118 HH22 ARG 15 HH22 ARG 15 0.823 0.080 15.957 119 H ALA 16 H ALA 16 0.922 -0.631 8.139 120 HA ALA 16 HA ALA 16 -1.741 -1.346 7.328 121 HB1 ALA 16 HB1 ALA 16 0.457 0.050 5.737 122 HB2 ALA 16 HB2 ALA 16 -1.295 0.067 5.434 123 HB3 ALA 16 HB3 ALA 16 -0.648 0.854 6.877 124 H ILE 17 H ILE 17 1.518 -2.111 6.025 125 HA ILE 17 HA ILE 17 0.657 -3.690 3.919 126 HB ILE 17 HB ILE 17 3.257 -3.865 5.433 127 HG12 ILE 17 HG12 ILE 17 2.299 -2.420 2.910 128 HG13 ILE 17 HG13 ILE 17 2.869 -1.702 4.415 129 HG21 ILE 17 HG21 ILE 17 2.805 -5.983 4.164 130 HG22 ILE 17 HG22 ILE 17 2.571 -5.007 2.690 131 HG23 ILE 17 HG23 ILE 17 4.152 -5.083 3.499 132 HD11 ILE 17 HD11 ILE 17 4.485 -3.080 2.293 133 HD12 ILE 17 HD12 ILE 17 4.653 -1.445 2.906 134 HD13 ILE 17 HD13 ILE 17 5.115 -2.826 3.936 135 H GLN 18 H GLN 18 1.124 -4.828 7.320 136 HA GLN 18 HA GLN 18 0.826 -7.568 6.788 137 HB2 GLN 18 HB2 GLN 18 0.087 -5.793 9.143 138 HB3 GLN 18 HB3 GLN 18 -0.429 -7.468 9.149 139 HG2 GLN 18 HG2 GLN 18 2.457 -6.534 8.909 140 HG3 GLN 18 HG3 GLN 18 1.682 -7.190 10.355 141 HE21 GLN 18 HE21 GLN 18 0.398 -9.435 9.577 142 HE22 GLN 18 HE22 GLN 18 1.613 -10.540 8.996 143 H SER 19 H SER 19 -1.665 -5.061 7.025 144 HA SER 19 HA SER 19 -3.819 -7.015 6.786 145 HB2 SER 19 HB2 SER 19 -3.794 -3.971 6.891 146 HB3 SER 19 HB3 SER 19 -5.259 -4.981 6.902 147 HG SER 19 HG SER 19 -4.463 -5.987 8.786 148 H LEU 20 H LEU 20 -2.145 -4.688 4.682 149 HA LEU 20 HA LEU 20 -3.893 -4.850 2.431 150 HB2 LEU 20 HB2 LEU 20 -2.337 -3.045 2.580 151 HB3 LEU 20 HB3 LEU 20 -0.984 -4.153 2.803 152 HG LEU 20 HG LEU 20 -1.237 -4.948 0.436 153 HD11 LEU 20 HD11 LEU 20 -3.588 -4.334 0.028 154 HD12 LEU 20 HD12 LEU 20 -2.523 -3.533 -1.133 155 HD13 LEU 20 HD13 LEU 20 -3.197 -2.613 0.235 156 HD21 LEU 20 HD21 LEU 20 -0.061 -3.138 -0.513 157 HD22 LEU 20 HD22 LEU 20 0.402 -3.207 1.173 158 HD23 LEU 20 HD23 LEU 20 -0.760 -1.965 0.625 159 H VAL 21 H VAL 21 -0.794 -6.615 3.120 160 HA VAL 21 HA VAL 21 -0.676 -8.084 0.731 161 HB VAL 21 HB VAL 21 0.215 -8.823 3.555 162 HG11 VAL 21 HG11 VAL 21 0.834 -10.129 0.881 163 HG12 VAL 21 HG12 VAL 21 1.770 -10.440 2.357 164 HG13 VAL 21 HG13 VAL 21 0.069 -10.903 2.272 165 HG21 VAL 21 HG21 VAL 21 1.930 -7.910 1.220 166 HG22 VAL 21 HG22 VAL 21 1.264 -6.789 2.405 167 HG23 VAL 21 HG23 VAL 21 2.383 -8.064 2.925 168 H HIS 22 H HIS 22 -2.131 -9.041 3.851 169 HA HIS 22 HA HIS 22 -3.173 -11.489 2.970 170 HB2 HIS 22 HB2 HIS 22 -2.964 -10.917 5.327 171 HB3 HIS 22 HB3 HIS 22 -4.061 -9.541 5.145 172 HD1 HIS 22 HD1 HIS 22 -4.222 -13.419 4.836 173 HD2 HIS 22 HD2 HIS 22 -6.625 -9.968 5.317 174 HE1 HIS 22 HE1 HIS 22 -6.683 -14.189 5.017 175 H ALA 23 H ALA 23 -4.802 -8.230 3.026 176 HA ALA 23 HA ALA 23 -7.245 -9.219 1.969 177 HB1 ALA 23 HB1 ALA 23 -7.765 -6.864 1.551 178 HB2 ALA 23 HB2 ALA 23 -7.029 -7.078 3.151 179 HB3 ALA 23 HB3 ALA 23 -6.060 -6.423 1.805 180 H ALA 24 H ALA 24 -4.273 -8.270 0.353 181 HA ALA 24 HA ALA 24 -5.406 -7.899 -2.271 182 HB1 ALA 24 HB1 ALA 24 -3.085 -8.085 -3.062 183 HB2 ALA 24 HB2 ALA 24 -3.171 -7.024 -1.641 184 HB3 ALA 24 HB3 ALA 24 -2.560 -8.686 -1.486 185 H GLN 25 H GLN 25 -4.207 -10.708 -0.483 186 HA GLN 25 HA GLN 25 -4.836 -12.476 -2.781 187 HB2 GLN 25 HB2 GLN 25 -3.424 -14.066 -1.805 188 HB3 GLN 25 HB3 GLN 25 -2.557 -12.544 -1.906 189 HG2 GLN 25 HG2 GLN 25 -2.812 -12.235 0.523 190 HG3 GLN 25 HG3 GLN 25 -3.740 -13.716 0.652 191 HE21 GLN 25 HE21 GLN 25 -1.186 -13.199 2.078 192 HE22 GLN 25 HE22 GLN 25 -0.124 -14.441 1.506 193 H CYS 26 H CYS 26 -6.697 -11.268 -0.475 194 HA CYS 26 HA CYS 26 -7.766 -13.681 0.740 195 HB2 CYS 26 HB2 CYS 26 -7.643 -11.688 2.009 196 HB3 CYS 26 HB3 CYS 26 -8.511 -10.754 0.785 197 H ARG 27 H ARG 27 -8.402 -14.936 -1.003 198 HA ARG 27 HA ARG 27 -11.067 -14.289 -2.054 199 HB2 ARG 27 HB2 ARG 27 -10.338 -14.941 -4.419 200 HB3 ARG 27 HB3 ARG 27 -9.908 -13.325 -3.870 201 HG2 ARG 27 HG2 ARG 27 -7.570 -14.081 -3.402 202 HG3 ARG 27 HG3 ARG 27 -7.986 -15.693 -3.967 203 HD2 ARG 27 HD2 ARG 27 -7.292 -15.032 -5.961 204 HD3 ARG 27 HD3 ARG 27 -8.811 -14.160 -6.103 205 HE ARG 27 HE ARG 27 -7.692 -12.144 -5.805 206 HH11 ARG 27 HH11 ARG 27 -5.385 -14.732 -4.815 207 HH12 ARG 27 HH12 ARG 27 -4.062 -13.904 -5.583 208 HH21 ARG 27 HH21 ARG 27 -5.782 -10.896 -6.160 209 HH22 ARG 27 HH22 ARG 27 -4.214 -11.618 -5.981 210 H ASN 28 H ASN 28 -11.509 -15.990 -0.441 211 HA ASN 28 HA ASN 28 -11.636 -18.607 -1.499 212 HB2 ASN 28 HB2 ASN 28 -9.170 -18.625 -0.887 213 HB3 ASN 28 HB3 ASN 28 -9.614 -18.220 0.770 214 HD21 ASN 28 HD21 ASN 28 -10.090 -20.710 -1.809 215 HD22 ASN 28 HD22 ASN 28 -10.454 -21.995 -0.676 216 H ALA 29 H ALA 29 -13.254 -19.719 -0.204 217 HA ALA 29 HA ALA 29 -14.715 -18.195 1.642 218 HB1 ALA 29 HB1 ALA 29 -14.665 -21.224 1.329 219 HB2 ALA 29 HB2 ALA 29 -15.942 -20.272 2.101 220 HB3 ALA 29 HB3 ALA 29 -15.642 -20.084 0.366 221 H ASN 30 H ASN 30 -11.888 -20.212 2.320 222 HA ASN 30 HA ASN 30 -12.522 -20.518 5.152 223 HB2 ASN 30 HB2 ASN 30 -11.027 -22.093 3.828 224 HB3 ASN 30 HB3 ASN 30 -9.832 -20.787 3.785 225 HD21 ASN 30 HD21 ASN 30 -8.263 -21.036 5.365 226 HD22 ASN 30 HD22 ASN 30 -8.586 -21.646 6.972 227 H CYS 31 H CYS 31 -11.243 -17.945 3.199 228 HA CYS 31 HA CYS 31 -9.501 -16.797 5.183 229 HB2 CYS 31 HB2 CYS 31 -9.406 -16.445 2.656 230 HB3 CYS 31 HB3 CYS 31 -10.835 -15.412 2.825 231 H SER 32 H SER 32 -10.228 -15.993 7.019 232 HA SER 32 HA SER 32 -12.650 -14.255 7.078 233 HB2 SER 32 HB2 SER 32 -12.024 -16.490 9.034 234 HB3 SER 32 HB3 SER 32 -13.368 -15.352 9.171 235 HG SER 32 HG SER 32 -13.532 -17.618 8.164 236 H LEU 33 H LEU 33 -11.259 -12.410 7.228 237 HA LEU 33 HA LEU 33 -10.013 -12.156 9.902 238 HB2 LEU 33 HB2 LEU 33 -8.727 -11.668 7.243 239 HB3 LEU 33 HB3 LEU 33 -8.532 -10.411 8.447 240 HG LEU 33 HG LEU 33 -7.847 -12.298 10.086 241 HD11 LEU 33 HD11 LEU 33 -8.323 -14.270 8.713 242 HD12 LEU 33 HD12 LEU 33 -6.585 -14.151 8.998 243 HD13 LEU 33 HD13 LEU 33 -7.280 -13.665 7.435 244 HD21 LEU 33 HD21 LEU 33 -6.364 -10.505 9.320 245 HD22 LEU 33 HD22 LEU 33 -5.981 -11.437 7.857 246 HD23 LEU 33 HD23 LEU 33 -5.496 -12.046 9.441 247 HA PRO 34 HA PRO 34 -12.836 -8.794 10.080 248 HB2 PRO 34 HB2 PRO 34 -11.699 -7.243 12.083 249 HB3 PRO 34 HB3 PRO 34 -12.575 -8.776 12.360 250 HG2 PRO 34 HG2 PRO 34 -9.589 -8.374 12.168 251 HG3 PRO 34 HG3 PRO 34 -10.521 -9.321 13.369 252 HD2 PRO 34 HD2 PRO 34 -9.351 -10.520 11.261 253 HD3 PRO 34 HD3 PRO 34 -10.965 -11.042 11.830 254 H SER 35 H SER 35 -9.467 -7.502 10.372 255 HA SER 35 HA SER 35 -10.008 -5.053 9.104 256 HB2 SER 35 HB2 SER 35 -7.377 -6.560 9.241 257 HB3 SER 35 HB3 SER 35 -7.596 -4.798 9.091 258 HG SER 35 HG SER 35 -7.219 -5.527 11.284 259 H CYS 36 H CYS 36 -9.314 -8.242 7.668 260 HA CYS 36 HA CYS 36 -8.557 -7.490 5.106 261 HB2 CYS 36 HB2 CYS 36 -8.586 -9.771 6.252 262 HB3 CYS 36 HB3 CYS 36 -10.315 -9.852 5.876 263 H GLN 37 H GLN 37 -11.861 -8.244 6.351 264 HA GLN 37 HA GLN 37 -13.249 -7.609 3.975 265 HB2 GLN 37 HB2 GLN 37 -14.070 -7.559 6.884 266 HB3 GLN 37 HB3 GLN 37 -15.213 -7.222 5.582 267 HG2 GLN 37 HG2 GLN 37 -13.618 -9.811 5.713 268 HG3 GLN 37 HG3 GLN 37 -15.209 -9.606 6.434 269 HE21 GLN 37 HE21 GLN 37 -17.075 -9.674 5.102 270 HE22 GLN 37 HE22 GLN 37 -17.013 -9.764 3.367 271 H LYS 38 H LYS 38 -12.017 -5.411 6.496 272 HA LYS 38 HA LYS 38 -13.461 -3.109 5.327 273 HB2 LYS 38 HB2 LYS 38 -11.183 -3.246 7.360 274 HB3 LYS 38 HB3 LYS 38 -12.044 -1.786 6.867 275 HG2 LYS 38 HG2 LYS 38 -14.225 -3.004 7.622 276 HG3 LYS 38 HG3 LYS 38 -13.161 -4.215 8.351 277 HD2 LYS 38 HD2 LYS 38 -13.694 -2.681 10.114 278 HD3 LYS 38 HD3 LYS 38 -12.038 -2.319 9.612 279 HE2 LYS 38 HE2 LYS 38 -12.721 -0.200 9.412 280 HE3 LYS 38 HE3 LYS 38 -13.469 -0.716 7.893 281 HZ1 LYS 38 HZ1 LYS 38 -15.515 -1.124 9.329 282 HZ2 LYS 38 HZ2 LYS 38 -15.085 0.431 9.011 283 HZ3 LYS 38 HZ3 LYS 38 -14.727 -0.206 10.483 284 H MET 39 H MET 39 -10.203 -4.477 5.127 285 HA MET 39 HA MET 39 -9.047 -2.465 3.516 286 HB2 MET 39 HB2 MET 39 -8.430 -5.378 4.007 287 HB3 MET 39 HB3 MET 39 -7.638 -4.545 2.668 288 HG2 MET 39 HG2 MET 39 -7.562 -3.537 5.525 289 HG3 MET 39 HG3 MET 39 -6.334 -4.572 4.780 290 HE1 MET 39 HE1 MET 39 -4.199 -2.961 4.978 291 HE2 MET 39 HE2 MET 39 -4.346 -1.208 4.792 292 HE3 MET 39 HE3 MET 39 -5.273 -2.036 6.062 293 H LYS 40 H LYS 40 -11.152 -5.208 2.584 294 HA LYS 40 HA LYS 40 -10.787 -5.255 -0.161 295 HB2 LYS 40 HB2 LYS 40 -13.080 -5.733 1.680 296 HB3 LYS 40 HB3 LYS 40 -13.545 -5.369 0.023 297 HG2 LYS 40 HG2 LYS 40 -13.447 -7.705 0.150 298 HG3 LYS 40 HG3 LYS 40 -12.034 -7.210 -0.781 299 HD2 LYS 40 HD2 LYS 40 -10.603 -7.494 1.229 300 HD3 LYS 40 HD3 LYS 40 -12.022 -7.883 2.202 301 HE2 LYS 40 HE2 LYS 40 -11.163 -9.537 -0.205 302 HE3 LYS 40 HE3 LYS 40 -10.622 -9.834 1.439 303 HZ1 LYS 40 HZ1 LYS 40 -12.542 -11.178 0.880 304 HZ2 LYS 40 HZ2 LYS 40 -13.494 -9.880 0.677 305 HZ3 LYS 40 HZ3 LYS 40 -12.860 -10.192 2.154 306 H ARG 41 H ARG 41 -12.518 -2.740 1.677 307 HA ARG 41 HA ARG 41 -13.690 -1.407 -0.555 308 HB2 ARG 41 HB2 ARG 41 -14.323 -1.112 1.833 309 HB3 ARG 41 HB3 ARG 41 -12.802 -0.258 2.137 310 HG2 ARG 41 HG2 ARG 41 -13.424 1.553 0.693 311 HG3 ARG 41 HG3 ARG 41 -14.817 0.685 0.066 312 HD2 ARG 41 HD2 ARG 41 -14.460 1.565 2.975 313 HD3 ARG 41 HD3 ARG 41 -15.384 2.474 1.787 314 HE ARG 41 HE ARG 41 -16.293 0.370 3.375 315 HH11 ARG 41 HH11 ARG 41 -16.694 1.606 0.048 316 HH12 ARG 41 HH12 ARG 41 -18.142 0.723 -0.267 317 HH21 ARG 41 HH21 ARG 41 -18.179 -0.868 2.927 318 HH22 ARG 41 HH22 ARG 41 -18.823 -0.898 1.315 319 H VAL 42 H VAL 42 -10.545 -0.998 1.083 320 HA VAL 42 HA VAL 42 -9.726 1.172 -0.633 321 HB VAL 42 HB VAL 42 -8.925 0.272 1.799 322 HG11 VAL 42 HG11 VAL 42 -6.555 -0.350 1.760 323 HG12 VAL 42 HG12 VAL 42 -7.568 -1.628 1.109 324 HG13 VAL 42 HG13 VAL 42 -6.622 -0.598 0.018 325 HG21 VAL 42 HG21 VAL 42 -7.136 1.956 1.595 326 HG22 VAL 42 HG22 VAL 42 -7.320 1.892 -0.177 327 HG23 VAL 42 HG23 VAL 42 -8.652 2.494 0.845 328 H VAL 43 H VAL 43 -9.166 -2.273 -0.632 329 HA VAL 43 HA VAL 43 -7.275 -2.373 -2.782 330 HB VAL 43 HB VAL 43 -9.245 -4.527 -1.934 331 HG11 VAL 43 HG11 VAL 43 -7.639 -6.098 -2.985 332 HG12 VAL 43 HG12 VAL 43 -8.246 -4.954 -4.187 333 HG13 VAL 43 HG13 VAL 43 -6.625 -4.734 -3.510 334 HG21 VAL 43 HG21 VAL 43 -6.303 -4.064 -1.163 335 HG22 VAL 43 HG22 VAL 43 -7.673 -3.832 -0.078 336 HG23 VAL 43 HG23 VAL 43 -7.296 -5.445 -0.663 337 H GLN 44 H GLN 44 -10.889 -2.611 -2.814 338 HA GLN 44 HA GLN 44 -11.205 -2.918 -5.591 339 HB2 GLN 44 HB2 GLN 44 -12.899 -1.520 -3.483 340 HB3 GLN 44 HB3 GLN 44 -13.409 -1.621 -5.170 341 HG2 GLN 44 HG2 GLN 44 -13.446 -4.031 -5.110 342 HG3 GLN 44 HG3 GLN 44 -12.767 -4.073 -3.487 343 HE21 GLN 44 HE21 GLN 44 -14.869 -5.410 -3.066 344 HE22 GLN 44 HE22 GLN 44 -16.340 -4.513 -2.814 345 H HIS 45 H HIS 45 -10.592 0.103 -3.709 346 HA HIS 45 HA HIS 45 -11.088 1.856 -5.876 347 HB2 HIS 45 HB2 HIS 45 -10.961 2.777 -3.674 348 HB3 HIS 45 HB3 HIS 45 -9.350 2.151 -3.412 349 HD1 HIS 45 HD1 HIS 45 -11.091 5.005 -5.264 350 HD2 HIS 45 HD2 HIS 45 -7.248 3.451 -4.483 351 HE1 HIS 45 HE1 HIS 45 -9.397 6.832 -5.905 352 H THR 46 H THR 46 -7.889 0.379 -4.811 353 HA THR 46 HA THR 46 -6.547 1.627 -7.013 354 HB THR 46 HB THR 46 -5.136 0.950 -5.223 355 HG1 THR 46 HG1 THR 46 -4.198 0.720 -7.191 356 HG21 THR 46 HG21 THR 46 -4.719 -1.387 -4.626 357 HG22 THR 46 HG22 THR 46 -6.110 -1.895 -5.619 358 HG23 THR 46 HG23 THR 46 -6.360 -0.863 -4.190 359 H LYS 47 H LYS 47 -8.284 -1.421 -6.761 360 HA LYS 47 HA LYS 47 -7.348 -2.811 -8.989 361 HB2 LYS 47 HB2 LYS 47 -9.113 -3.705 -7.415 362 HB3 LYS 47 HB3 LYS 47 -10.292 -2.657 -8.214 363 HG2 LYS 47 HG2 LYS 47 -9.573 -3.837 -10.422 364 HG3 LYS 47 HG3 LYS 47 -8.800 -5.029 -9.405 365 HD2 LYS 47 HD2 LYS 47 -11.753 -4.264 -9.212 366 HD3 LYS 47 HD3 LYS 47 -11.169 -5.428 -10.382 367 HE2 LYS 47 HE2 LYS 47 -10.943 -5.726 -7.367 368 HE3 LYS 47 HE3 LYS 47 -12.138 -6.501 -8.408 369 HZ1 LYS 47 HZ1 LYS 47 -10.287 -7.624 -9.567 370 HZ2 LYS 47 HZ2 LYS 47 -10.404 -8.044 -7.991 371 HZ3 LYS 47 HZ3 LYS 47 -9.244 -6.991 -8.445 372 H GLY 48 H GLY 48 -9.681 -0.124 -8.938 373 HA2 GLY 48 HA2 GLY 48 -9.450 0.037 -11.935 374 HA3 GLY 48 HA3 GLY 48 -10.940 0.317 -11.048 375 H CYS 49 H CYS 49 -7.991 1.589 -9.554 376 HA CYS 49 HA CYS 49 -9.193 4.150 -9.768 377 HB2 CYS 49 HB2 CYS 49 -7.601 3.503 -7.895 378 HB3 CYS 49 HB3 CYS 49 -6.290 3.948 -9.013 379 H LYS 50 H LYS 50 -9.571 4.779 -11.769 380 HA LYS 50 HA LYS 50 -7.476 5.118 -13.792 381 HB2 LYS 50 HB2 LYS 50 -10.276 6.323 -13.661 382 HB3 LYS 50 HB3 LYS 50 -9.212 6.323 -15.071 383 HG2 LYS 50 HG2 LYS 50 -10.408 3.844 -13.756 384 HG3 LYS 50 HG3 LYS 50 -10.961 4.648 -15.204 385 HD2 LYS 50 HD2 LYS 50 -8.727 4.154 -16.288 386 HD3 LYS 50 HD3 LYS 50 -8.313 3.183 -14.852 387 HE2 LYS 50 HE2 LYS 50 -10.344 1.790 -15.221 388 HE3 LYS 50 HE3 LYS 50 -10.775 2.784 -16.610 389 HZ1 LYS 50 HZ1 LYS 50 -9.796 0.905 -17.439 390 HZ2 LYS 50 HZ2 LYS 50 -8.525 0.885 -16.423 391 HZ3 LYS 50 HZ3 LYS 50 -8.610 2.036 -17.612 392 H ARG 51 H ARG 51 -8.600 6.983 -11.016 393 HA ARG 51 HA ARG 51 -7.808 9.548 -12.011 394 HB2 ARG 51 HB2 ARG 51 -7.917 8.528 -9.145 395 HB3 ARG 51 HB3 ARG 51 -7.480 10.169 -9.589 396 HG2 ARG 51 HG2 ARG 51 -9.700 10.444 -10.741 397 HG3 ARG 51 HG3 ARG 51 -10.169 8.857 -10.146 398 HD2 ARG 51 HD2 ARG 51 -11.036 10.297 -8.508 399 HD3 ARG 51 HD3 ARG 51 -9.520 9.744 -7.784 400 HE ARG 51 HE ARG 51 -8.464 11.843 -8.363 401 HH11 ARG 51 HH11 ARG 51 -12.010 11.946 -8.847 402 HH12 ARG 51 HH12 ARG 51 -11.999 13.694 -8.949 403 HH21 ARG 51 HH21 ARG 51 -8.516 14.048 -8.668 404 HH22 ARG 51 HH22 ARG 51 -9.996 14.894 -8.810 405 H LYS 52 H LYS 52 -5.774 6.707 -11.229 406 HA LYS 52 HA LYS 52 -3.516 8.050 -10.358 407 HB2 LYS 52 HB2 LYS 52 -3.775 5.662 -10.221 408 HB3 LYS 52 HB3 LYS 52 -3.921 5.512 -11.988 409 HG2 LYS 52 HG2 LYS 52 -1.642 6.259 -12.333 410 HG3 LYS 52 HG3 LYS 52 -1.495 6.747 -10.631 411 HD2 LYS 52 HD2 LYS 52 -1.809 4.400 -9.956 412 HD3 LYS 52 HD3 LYS 52 -1.871 3.906 -11.650 413 HE2 LYS 52 HE2 LYS 52 0.429 5.576 -10.508 414 HE3 LYS 52 HE3 LYS 52 0.465 3.817 -10.430 415 HZ1 LYS 52 HZ1 LYS 52 1.605 4.931 -12.396 416 HZ2 LYS 52 HZ2 LYS 52 0.139 5.175 -13.037 417 HZ3 LYS 52 HZ3 LYS 52 0.645 3.637 -12.694 418 H THR 53 H THR 53 -4.446 7.024 -13.761 419 HA THR 53 HA THR 53 -2.240 8.261 -14.966 420 HB THR 53 HB THR 53 -3.996 8.064 -16.992 421 HG1 THR 53 HG1 THR 53 -5.583 6.609 -16.557 422 HG21 THR 53 HG21 THR 53 -3.365 5.648 -17.138 423 HG22 THR 53 HG22 THR 53 -2.789 5.711 -15.458 424 HG23 THR 53 HG23 THR 53 -1.976 6.667 -16.721 425 H ASN 54 H ASN 54 -5.553 9.493 -14.368 426 HA ASN 54 HA ASN 54 -5.417 11.914 -15.653 427 HB2 ASN 54 HB2 ASN 54 -6.715 11.199 -12.997 428 HB3 ASN 54 HB3 ASN 54 -6.920 12.763 -13.745 429 HD21 ASN 54 HD21 ASN 54 -9.070 12.729 -14.278 430 HD22 ASN 54 HD22 ASN 54 -9.779 11.566 -15.362 431 H GLY 55 H GLY 55 -3.592 11.154 -12.736 432 HA2 GLY 55 HA2 GLY 55 -1.924 13.376 -12.866 433 HA3 GLY 55 HA3 GLY 55 -3.225 13.834 -11.756 434 H GLY 56 H GLY 56 -3.716 11.230 -10.631 435 HA2 GLY 56 HA2 GLY 56 -2.430 9.462 -9.556 436 HA3 GLY 56 HA3 GLY 56 -1.155 10.597 -9.235 437 H CYS 57 H CYS 57 -4.357 9.505 -8.232 438 HA CYS 57 HA CYS 57 -4.649 11.567 -6.229 439 HB2 CYS 57 HB2 CYS 57 -6.620 10.594 -5.638 440 HB3 CYS 57 HB3 CYS 57 -6.527 10.136 -7.315 441 HA PRO 58 HA PRO 58 -1.858 10.041 -3.291 442 HB2 PRO 58 HB2 PRO 58 -3.078 10.085 -0.808 443 HB3 PRO 58 HB3 PRO 58 -2.572 11.541 -1.717 444 HG2 PRO 58 HG2 PRO 58 -5.285 10.182 -1.769 445 HG3 PRO 58 HG3 PRO 58 -4.919 11.922 -1.400 446 HD2 PRO 58 HD2 PRO 58 -5.676 11.244 -3.858 447 HD3 PRO 58 HD3 PRO 58 -4.254 12.305 -3.688 448 H ILE 59 H ILE 59 -4.952 8.181 -2.911 449 HA ILE 59 HA ILE 59 -3.850 6.123 -1.366 450 HB ILE 59 HB ILE 59 -6.067 5.871 -3.426 451 HG12 ILE 59 HG12 ILE 59 -7.308 5.859 -0.978 452 HG13 ILE 59 HG13 ILE 59 -5.972 6.936 -0.616 453 HG21 ILE 59 HG21 ILE 59 -5.330 4.083 -1.067 454 HG22 ILE 59 HG22 ILE 59 -6.801 3.923 -2.048 455 HG23 ILE 59 HG23 ILE 59 -5.214 3.657 -2.784 456 HD11 ILE 59 HD11 ILE 59 -7.977 7.233 -2.869 457 HD12 ILE 59 HD12 ILE 59 -7.994 8.142 -1.344 458 HD13 ILE 59 HD13 ILE 59 -6.686 8.401 -2.517 459 H CYS 60 H CYS 60 -4.066 6.158 -4.986 460 HA CYS 60 HA CYS 60 -2.630 3.667 -5.144 461 HB2 CYS 60 HB2 CYS 60 -2.133 5.163 -7.545 462 HB3 CYS 60 HB3 CYS 60 -3.066 3.759 -7.317 463 H LYS 61 H LYS 61 -1.682 6.991 -5.130 464 HA LYS 61 HA LYS 61 1.020 6.697 -6.038 465 HB2 LYS 61 HB2 LYS 61 -0.534 8.815 -5.811 466 HB3 LYS 61 HB3 LYS 61 0.231 8.978 -4.224 467 HG2 LYS 61 HG2 LYS 61 2.420 9.073 -5.380 468 HG3 LYS 61 HG3 LYS 61 1.646 8.738 -6.925 469 HD2 LYS 61 HD2 LYS 61 0.673 10.861 -7.102 470 HD3 LYS 61 HD3 LYS 61 0.703 11.129 -5.356 471 HE2 LYS 61 HE2 LYS 61 2.426 12.526 -6.352 472 HE3 LYS 61 HE3 LYS 61 3.143 11.287 -5.328 473 HZ1 LYS 61 HZ1 LYS 61 4.416 11.337 -7.213 474 HZ2 LYS 61 HZ2 LYS 61 3.155 11.425 -8.262 475 HZ3 LYS 61 HZ3 LYS 61 3.534 10.001 -7.452 476 H GLN 62 H GLN 62 -0.266 6.983 -2.650 477 HA GLN 62 HA GLN 62 2.306 6.471 -1.504 478 HB2 GLN 62 HB2 GLN 62 -0.404 5.904 -0.248 479 HB3 GLN 62 HB3 GLN 62 1.143 6.042 0.580 480 HG2 GLN 62 HG2 GLN 62 -0.689 8.157 -0.428 481 HG3 GLN 62 HG3 GLN 62 0.177 8.055 1.086 482 HE21 GLN 62 HE21 GLN 62 -0.112 10.208 -1.153 483 HE22 GLN 62 HE22 GLN 62 1.502 10.649 -1.540 484 H LEU 63 H LEU 63 -0.247 4.250 -2.628 485 HA LEU 63 HA LEU 63 0.754 1.949 -1.409 486 HB2 LEU 63 HB2 LEU 63 -1.426 2.221 -2.552 487 HB3 LEU 63 HB3 LEU 63 -0.615 2.175 -4.115 488 HG LEU 63 HG LEU 63 0.020 -0.153 -3.783 489 HD11 LEU 63 HD11 LEU 63 -1.171 0.172 -0.994 490 HD12 LEU 63 HD12 LEU 63 0.482 -0.318 -1.425 491 HD13 LEU 63 HD13 LEU 63 -0.860 -1.401 -1.780 492 HD21 LEU 63 HD21 LEU 63 -2.211 -1.150 -3.760 493 HD22 LEU 63 HD22 LEU 63 -2.293 0.400 -4.596 494 HD23 LEU 63 HD23 LEU 63 -2.890 0.279 -2.942 495 H ILE 64 H ILE 64 2.054 3.650 -4.208 496 HA ILE 64 HA ILE 64 3.725 1.564 -5.244 497 HB ILE 64 HB ILE 64 3.932 4.606 -5.338 498 HG12 ILE 64 HG12 ILE 64 3.068 2.644 -7.507 499 HG13 ILE 64 HG13 ILE 64 1.943 3.418 -6.422 500 HG21 ILE 64 HG21 ILE 64 6.174 3.708 -5.746 501 HG22 ILE 64 HG22 ILE 64 5.534 2.651 -7.019 502 HG23 ILE 64 HG23 ILE 64 5.503 4.411 -7.203 503 HD11 ILE 64 HD11 ILE 64 2.678 5.654 -7.240 504 HD12 ILE 64 HD12 ILE 64 3.668 4.826 -8.472 505 HD13 ILE 64 HD13 ILE 64 1.909 4.624 -8.462 506 H ALA 65 H ALA 65 4.197 4.079 -2.762 507 HA ALA 65 HA ALA 65 6.927 3.645 -2.182 508 HB1 ALA 65 HB1 ALA 65 4.724 4.497 -0.217 509 HB2 ALA 65 HB2 ALA 65 6.442 4.796 -0.079 510 HB3 ALA 65 HB3 ALA 65 5.498 5.589 -1.371 511 H LEU 66 H LEU 66 3.983 2.069 -1.026 512 HA LEU 66 HA LEU 66 5.378 0.536 1.045 513 HB2 LEU 66 HB2 LEU 66 2.522 0.360 0.004 514 HB3 LEU 66 HB3 LEU 66 3.182 -0.555 1.340 515 HG LEU 66 HG LEU 66 2.357 2.317 1.211 516 HD11 LEU 66 HD11 LEU 66 2.401 0.219 3.417 517 HD12 LEU 66 HD12 LEU 66 1.049 0.583 2.327 518 HD13 LEU 66 HD13 LEU 66 1.593 1.780 3.505 519 HD21 LEU 66 HD21 LEU 66 4.564 2.908 1.797 520 HD22 LEU 66 HD22 LEU 66 4.782 1.493 2.834 521 HD23 LEU 66 HD23 LEU 66 3.727 2.809 3.344 522 H ALA 67 H ALA 67 4.172 -0.099 -2.243 523 HA ALA 67 HA ALA 67 4.547 -2.882 -2.230 524 HB1 ALA 67 HB1 ALA 67 4.710 -2.652 -4.680 525 HB2 ALA 67 HB2 ALA 67 3.392 -1.665 -3.998 526 HB3 ALA 67 HB3 ALA 67 4.902 -0.896 -4.509 527 H ALA 68 H ALA 68 6.836 -0.295 -3.159 528 HA ALA 68 HA ALA 68 9.108 -1.874 -3.746 529 HB1 ALA 68 HB1 ALA 68 8.897 0.954 -2.598 530 HB2 ALA 68 HB2 ALA 68 10.371 0.231 -3.280 531 HB3 ALA 68 HB3 ALA 68 8.956 0.494 -4.323 532 H TYR 69 H TYR 69 8.229 -0.306 -0.662 533 HA TYR 69 HA TYR 69 10.419 -1.187 0.853 534 HB2 TYR 69 HB2 TYR 69 9.015 0.574 1.636 535 HB3 TYR 69 HB3 TYR 69 7.558 -0.399 1.487 536 HD1 TYR 69 HD1 TYR 69 10.419 0.405 3.665 537 HD2 TYR 69 HD2 TYR 69 7.069 -2.244 3.014 538 HE1 TYR 69 HE1 TYR 69 10.717 -0.517 5.922 539 HE2 TYR 69 HE2 TYR 69 7.330 -3.161 5.292 540 HH TYR 69 HH TYR 69 10.258 -2.411 7.181 541 H HIS 70 H HIS 70 7.336 -2.884 0.082 542 HA HIS 70 HA HIS 70 7.927 -5.061 1.879 543 HB2 HIS 70 HB2 HIS 70 5.739 -4.762 1.785 544 HB3 HIS 70 HB3 HIS 70 5.715 -4.237 0.103 545 HD1 HIS 70 HD1 HIS 70 4.849 -7.264 2.124 546 HD2 HIS 70 HD2 HIS 70 5.949 -6.196 -1.793 547 HE1 HIS 70 HE1 HIS 70 3.988 -9.111 0.569 548 H ALA 71 H ALA 71 8.344 -4.478 -1.634 549 HA ALA 71 HA ALA 71 8.950 -7.127 -2.335 550 HB1 ALA 71 HB1 ALA 71 10.061 -4.555 -3.535 551 HB2 ALA 71 HB2 ALA 71 10.102 -6.160 -4.292 552 HB3 ALA 71 HB3 ALA 71 8.544 -5.376 -3.989 553 H LYS 72 H LYS 72 11.008 -4.888 -0.519 554 HA LYS 72 HA LYS 72 13.395 -6.322 -1.231 555 HB2 LYS 72 HB2 LYS 72 14.603 -5.058 0.234 556 HB3 LYS 72 HB3 LYS 72 13.291 -3.979 -0.245 557 HG2 LYS 72 HG2 LYS 72 12.180 -4.404 1.957 558 HG3 LYS 72 HG3 LYS 72 13.456 -5.553 2.353 559 HD2 LYS 72 HD2 LYS 72 14.027 -3.541 3.474 560 HD3 LYS 72 HD3 LYS 72 15.150 -3.782 2.144 561 HE2 LYS 72 HE2 LYS 72 13.346 -2.231 0.856 562 HE3 LYS 72 HE3 LYS 72 13.006 -1.695 2.509 563 HZ1 LYS 72 HZ1 LYS 72 15.616 -1.682 1.130 564 HZ2 LYS 72 HZ2 LYS 72 15.393 -1.185 2.703 565 HZ3 LYS 72 HZ3 LYS 72 14.724 -0.353 1.436 566 H HIS 73 H HIS 73 10.792 -7.135 0.861 567 HA HIS 73 HA HIS 73 12.406 -9.369 2.046 568 HB2 HIS 73 HB2 HIS 73 9.980 -7.989 3.215 569 HB3 HIS 73 HB3 HIS 73 10.890 -9.305 3.947 570 HD1 HIS 73 HD1 HIS 73 10.435 -5.934 4.612 571 HD2 HIS 73 HD2 HIS 73 13.877 -8.251 3.886 572 HE1 HIS 73 HE1 HIS 73 12.339 -4.698 5.716 573 H CYS 74 H CYS 74 9.780 -8.523 -0.032 574 HA CYS 74 HA CYS 74 8.640 -11.276 0.018 575 HB2 CYS 74 HB2 CYS 74 7.193 -9.068 0.380 576 HB3 CYS 74 HB3 CYS 74 7.484 -8.851 -1.345 577 H GLN 75 H GLN 75 9.967 -12.367 -1.297 578 HA GLN 75 HA GLN 75 10.267 -11.500 -4.109 579 HB2 GLN 75 HB2 GLN 75 12.670 -12.401 -3.925 580 HB3 GLN 75 HB3 GLN 75 12.316 -10.764 -3.387 581 HG2 GLN 75 HG2 GLN 75 12.361 -11.399 -1.053 582 HG3 GLN 75 HG3 GLN 75 12.508 -13.104 -1.457 583 HE21 GLN 75 HE21 GLN 75 14.677 -11.812 -3.660 584 HE22 GLN 75 HE22 GLN 75 16.075 -11.964 -2.633 585 H GLU 76 H GLU 76 8.578 -12.936 -4.409 586 HA GLU 76 HA GLU 76 9.371 -15.779 -4.250 587 HB2 GLU 76 HB2 GLU 76 6.959 -16.228 -3.732 588 HB3 GLU 76 HB3 GLU 76 7.929 -15.537 -2.420 589 HG2 GLU 76 HG2 GLU 76 6.896 -13.385 -2.673 590 HG3 GLU 76 HG3 GLU 76 6.082 -13.909 -4.150 591 H ASN 77 H ASN 77 7.841 -17.125 -5.608 592 HA ASN 77 HA ASN 77 8.223 -16.392 -8.301 593 HB2 ASN 77 HB2 ASN 77 6.358 -18.498 -7.127 594 HB3 ASN 77 HB3 ASN 77 6.702 -18.301 -8.846 595 HD21 ASN 77 HD21 ASN 77 7.971 -19.474 -5.793 596 HD22 ASN 77 HD22 ASN 77 9.585 -19.823 -6.341 597 H LYS 78 H LYS 78 5.146 -16.390 -6.388 598 HA LYS 78 HA LYS 78 4.133 -14.320 -8.266 599 HB2 LYS 78 HB2 LYS 78 3.279 -16.843 -8.498 600 HB3 LYS 78 HB3 LYS 78 2.233 -16.371 -7.192 601 HG2 LYS 78 HG2 LYS 78 0.872 -15.281 -8.602 602 HG3 LYS 78 HG3 LYS 78 2.168 -14.219 -9.137 603 HD2 LYS 78 HD2 LYS 78 1.545 -16.978 -10.227 604 HD3 LYS 78 HD3 LYS 78 1.143 -15.448 -11.009 605 HE2 LYS 78 HE2 LYS 78 3.555 -14.916 -11.255 606 HE3 LYS 78 HE3 LYS 78 3.982 -16.405 -10.416 607 HZ1 LYS 78 HZ1 LYS 78 4.191 -16.764 -12.711 608 HZ2 LYS 78 HZ2 LYS 78 2.675 -16.221 -13.057 609 HZ3 LYS 78 HZ3 LYS 78 2.883 -17.625 -12.217 610 H CYS 79 H CYS 79 4.926 -12.888 -6.689 611 HA CYS 79 HA CYS 79 4.385 -12.640 -4.055 612 HB2 CYS 79 HB2 CYS 79 4.957 -10.800 -6.306 613 HB3 CYS 79 HB3 CYS 79 4.034 -10.030 -5.042 614 HA PRO 80 HA PRO 80 0.003 -12.206 -3.619 615 HB2 PRO 80 HB2 PRO 80 -0.167 -11.052 -1.127 616 HB3 PRO 80 HB3 PRO 80 0.265 -12.760 -1.431 617 HG2 PRO 80 HG2 PRO 80 2.160 -10.432 -0.952 618 HG3 PRO 80 HG3 PRO 80 2.173 -12.059 -0.190 619 HD2 PRO 80 HD2 PRO 80 3.764 -11.448 -2.293 620 HD3 PRO 80 HD3 PRO 80 3.008 -13.062 -2.152 621 H VAL 81 H VAL 81 1.914 -9.131 -2.862 622 HA VAL 81 HA VAL 81 -0.472 -7.572 -3.307 623 HB VAL 81 HB VAL 81 2.438 -6.817 -2.784 624 HG11 VAL 81 HG11 VAL 81 -0.028 -5.019 -2.969 625 HG12 VAL 81 HG12 VAL 81 1.573 -4.528 -2.387 626 HG13 VAL 81 HG13 VAL 81 1.370 -5.005 -4.068 627 HG21 VAL 81 HG21 VAL 81 1.303 -7.874 -0.905 628 HG22 VAL 81 HG22 VAL 81 1.554 -6.156 -0.592 629 HG23 VAL 81 HG23 VAL 81 -0.062 -6.739 -1.055 630 HA PRO 82 HA PRO 82 0.166 -7.941 -7.698 631 HB2 PRO 82 HB2 PRO 82 -1.590 -6.003 -8.630 632 HB3 PRO 82 HB3 PRO 82 -2.064 -7.636 -8.073 633 HG2 PRO 82 HG2 PRO 82 -2.077 -5.034 -6.535 634 HG3 PRO 82 HG3 PRO 82 -3.365 -6.280 -6.617 635 HD2 PRO 82 HD2 PRO 82 -1.644 -6.165 -4.530 636 HD3 PRO 82 HD3 PRO 82 -2.162 -7.747 -5.197 637 H PHE 83 H PHE 83 0.829 -5.016 -5.915 638 HA PHE 83 HA PHE 83 2.005 -3.561 -8.192 639 HB2 PHE 83 HB2 PHE 83 1.857 -3.043 -5.202 640 HB3 PHE 83 HB3 PHE 83 2.908 -2.144 -6.276 641 HD1 PHE 83 HD1 PHE 83 -0.683 -3.105 -7.029 642 HD2 PHE 83 HD2 PHE 83 2.137 0.006 -6.008 643 HE1 PHE 83 HE1 PHE 83 -2.416 -1.396 -7.378 644 HE2 PHE 83 HE2 PHE 83 0.392 1.698 -6.404 645 HZ PHE 83 HZ PHE 83 -1.882 1.033 -7.097 646 H CYS 84 H CYS 84 3.224 -5.221 -5.168 647 HA CYS 84 HA CYS 84 5.936 -4.725 -5.685 648 HB2 CYS 84 HB2 CYS 84 6.399 -6.188 -3.961 649 HB3 CYS 84 HB3 CYS 84 4.858 -5.398 -3.542 650 H LEU 85 H LEU 85 3.879 -7.345 -6.573 651 HA LEU 85 HA LEU 85 5.535 -9.215 -7.702 652 HB2 LEU 85 HB2 LEU 85 3.173 -9.503 -7.421 653 HB3 LEU 85 HB3 LEU 85 2.780 -8.171 -8.489 654 HG LEU 85 HG LEU 85 4.381 -10.280 -9.796 655 HD11 LEU 85 HD11 LEU 85 3.051 -11.711 -8.299 656 HD12 LEU 85 HD12 LEU 85 2.506 -11.893 -9.970 657 HD13 LEU 85 HD13 LEU 85 1.562 -10.914 -8.826 658 HD21 LEU 85 HD21 LEU 85 2.606 -10.009 -11.543 659 HD22 LEU 85 HD22 LEU 85 3.381 -8.480 -11.100 660 HD23 LEU 85 HD23 LEU 85 1.769 -8.882 -10.472 661 H ASN 86 H ASN 86 4.709 -6.140 -9.056 662 HA ASN 86 HA ASN 86 5.786 -6.713 -11.735 663 HB2 ASN 86 HB2 ASN 86 3.995 -4.917 -11.201 664 HB3 ASN 86 HB3 ASN 86 5.344 -3.905 -10.684 665 HD21 ASN 86 HD21 ASN 86 3.641 -5.193 -13.431 666 HD22 ASN 86 HD22 ASN 86 4.723 -4.602 -14.668 667 H ILE 87 H ILE 87 7.013 -5.128 -8.812 668 HA ILE 87 HA ILE 87 9.362 -3.943 -9.750 669 HB ILE 87 HB ILE 87 8.907 -5.265 -7.040 670 HG12 ILE 87 HG12 ILE 87 8.171 -2.490 -8.058 671 HG13 ILE 87 HG13 ILE 87 7.056 -3.773 -7.548 672 HG21 ILE 87 HG21 ILE 87 11.292 -4.534 -7.540 673 HG22 ILE 87 HG22 ILE 87 10.673 -2.866 -7.501 674 HG23 ILE 87 HG23 ILE 87 10.544 -3.922 -6.076 675 HD11 ILE 87 HD11 ILE 87 7.094 -2.230 -5.791 676 HD12 ILE 87 HD12 ILE 87 8.038 -3.608 -5.238 677 HD13 ILE 87 HD13 ILE 87 8.865 -2.134 -5.802 678 H LYS 88 H LYS 88 8.937 -7.212 -8.345 679 HA LYS 88 HA LYS 88 11.567 -8.123 -8.761 680 HB2 LYS 88 HB2 LYS 88 9.876 -9.272 -7.418 681 HB3 LYS 88 HB3 LYS 88 8.933 -9.666 -8.864 682 HG2 LYS 88 HG2 LYS 88 10.957 -10.978 -9.692 683 HG3 LYS 88 HG3 LYS 88 11.701 -10.705 -8.102 684 HD2 LYS 88 HD2 LYS 88 9.739 -11.803 -7.033 685 HD3 LYS 88 HD3 LYS 88 9.011 -12.056 -8.628 686 HE2 LYS 88 HE2 LYS 88 11.702 -13.179 -7.710 687 HE3 LYS 88 HE3 LYS 88 10.183 -14.083 -7.706 688 HZ1 LYS 88 HZ1 LYS 88 11.562 -14.505 -9.653 689 HZ2 LYS 88 HZ2 LYS 88 11.441 -12.960 -10.139 690 HZ3 LYS 88 HZ3 LYS 88 10.093 -13.942 -10.073 691 H GLN 89 H GLN 89 8.770 -8.320 -10.950 692 HA GLN 89 HA GLN 89 10.179 -9.630 -13.089 693 HB2 GLN 89 HB2 GLN 89 7.613 -7.992 -13.100 694 HB3 GLN 89 HB3 GLN 89 8.164 -9.013 -14.424 695 HG2 GLN 89 HG2 GLN 89 7.511 -10.019 -11.618 696 HG3 GLN 89 HG3 GLN 89 6.434 -10.090 -13.006 697 HE21 GLN 89 HE21 GLN 89 7.463 -12.324 -11.352 698 HE22 GLN 89 HE22 GLN 89 8.202 -13.376 -12.554 699 H LYS 90 H LYS 90 10.647 -6.424 -11.998 700 HA LYS 90 HA LYS 90 11.574 -5.630 -14.709 701 HB2 LYS 90 HB2 LYS 90 10.367 -3.903 -12.508 702 HB3 LYS 90 HB3 LYS 90 11.159 -3.252 -13.946 703 HG2 LYS 90 HG2 LYS 90 8.677 -5.019 -13.982 704 HG3 LYS 90 HG3 LYS 90 8.722 -3.263 -14.158 705 HD2 LYS 90 HD2 LYS 90 10.029 -3.480 -16.235 706 HD3 LYS 90 HD3 LYS 90 10.083 -5.239 -16.036 707 HE2 LYS 90 HE2 LYS 90 7.561 -5.258 -16.051 708 HE3 LYS 90 HE3 LYS 90 7.629 -3.561 -16.570 709 HZ1 LYS 90 HZ1 LYS 90 9.019 -4.305 -18.426 710 HZ2 LYS 90 HZ2 LYS 90 7.522 -4.988 -18.459 711 HZ3 LYS 90 HZ3 LYS 90 8.831 -5.883 -17.953 712 H GLY 91 H GLY 91 12.552 -6.094 -11.456 713 HA2 GLY 91 HA2 GLY 91 14.408 -5.519 -10.316 714 HA3 GLY 91 HA3 GLY 91 15.206 -6.252 -11.720 715 H THR 92 H THR 92 13.730 -3.085 -10.735 716 HA THR 92 HA THR 92 15.414 -1.687 -12.625 717 HB THR 92 HB THR 92 14.380 0.367 -11.701 718 HG1 THR 92 HG1 THR 92 12.936 0.265 -10.071 719 HG21 THR 92 HG21 THR 92 13.210 -0.911 -13.472 720 HG22 THR 92 HG22 THR 92 12.067 -0.110 -12.375 721 HG23 THR 92 HG23 THR 92 12.354 -1.861 -12.265 722 H ILE 93 H ILE 93 15.541 -2.154 -9.112 723 HA ILE 93 HA ILE 93 18.281 -0.941 -9.199 724 HB ILE 93 HB ILE 93 16.113 -0.436 -7.118 725 HG12 ILE 93 HG12 ILE 93 17.444 1.409 -9.151 726 HG13 ILE 93 HG13 ILE 93 15.771 0.854 -9.199 727 HG21 ILE 93 HG21 ILE 93 17.757 1.086 -6.024 728 HG22 ILE 93 HG22 ILE 93 18.291 -0.577 -6.017 729 HG23 ILE 93 HG23 ILE 93 18.985 0.565 -7.194 730 HD11 ILE 93 HD11 ILE 93 15.709 3.073 -8.425 731 HD12 ILE 93 HD12 ILE 93 15.358 2.041 -7.030 732 HD13 ILE 93 HD13 ILE 93 16.972 2.777 -7.222 733 H GLU 94 H GLU 94 16.101 -3.333 -7.905 734 HA GLU 94 HA GLU 94 16.380 -4.985 -6.315 735 HB2 GLU 94 HB2 GLU 94 18.536 -5.486 -8.396 736 HB3 GLU 94 HB3 GLU 94 17.972 -6.716 -7.250 737 HG2 GLU 94 HG2 GLU 94 16.276 -5.290 -9.321 738 HG3 GLU 94 HG3 GLU 94 16.925 -6.932 -9.481 739 H GLY 95 H GLY 95 17.230 -3.136 -4.783 740 HA2 GLY 95 HA2 GLY 95 19.377 -4.301 -3.257 741 HA3 GLY 95 HA3 GLY 95 19.889 -2.803 -4.035 742 H ARG 96 H ARG 96 18.965 -0.834 -3.348 743 HA ARG 96 HA ARG 96 17.079 -0.853 -1.056 744 HB2 ARG 96 HB2 ARG 96 18.411 0.955 -0.075 745 HB3 ARG 96 HB3 ARG 96 19.086 -0.667 0.012 746 HG2 ARG 96 HG2 ARG 96 20.686 -0.118 -1.813 747 HG3 ARG 96 HG3 ARG 96 19.973 1.507 -1.935 748 HD2 ARG 96 HD2 ARG 96 21.940 1.682 -0.587 749 HD3 ARG 96 HD3 ARG 96 20.534 1.841 0.492 750 HE ARG 96 HE ARG 96 21.287 -0.873 0.446 751 HH11 ARG 96 HH11 ARG 96 22.876 2.187 1.442 752 HH12 ARG 96 HH12 ARG 96 23.899 1.379 2.580 753 HH21 ARG 96 HH21 ARG 96 22.612 -1.845 2.040 754 HH22 ARG 96 HH22 ARG 96 23.673 -0.867 3.002 755 H GLY 97 H GLY 97 16.159 -0.675 -3.553 756 HA2 GLY 97 HA2 GLY 97 15.972 2.055 -4.556 757 HA3 GLY 97 HA3 GLY 97 15.174 0.605 -5.162 758 H ASN 98 H ASN 98 15.145 2.695 -2.213 759 HA ASN 98 HA ASN 98 12.222 2.858 -2.414 760 HB2 ASN 98 HB2 ASN 98 11.752 2.233 -0.154 761 HB3 ASN 98 HB3 ASN 98 12.478 0.889 -1.003 762 HD21 ASN 98 HD21 ASN 98 12.346 2.099 2.000 763 HD22 ASN 98 HD22 ASN 98 13.922 1.621 2.567 764 H GLU 99 H GLU 99 11.918 4.977 -2.529 765 HA GLU 99 HA GLU 99 12.979 6.759 -0.439 766 HB2 GLU 99 HB2 GLU 99 14.582 7.004 -2.281 767 HB3 GLU 99 HB3 GLU 99 13.259 7.257 -3.429 768 HG2 GLU 99 HG2 GLU 99 12.579 9.277 -1.926 769 HG3 GLU 99 HG3 GLU 99 14.135 9.051 -1.135 770 H PHE 100 H PHE 100 10.948 7.405 0.445 771 HA PHE 100 HA PHE 100 9.184 8.906 -1.139 772 HB2 PHE 100 HB2 PHE 100 8.782 6.092 -1.387 773 HB3 PHE 100 HB3 PHE 100 7.672 6.579 -0.160 774 HD1 PHE 100 HD1 PHE 100 7.725 5.837 -3.466 775 HD2 PHE 100 HD2 PHE 100 6.668 9.184 -0.945 776 HE1 PHE 100 HE1 PHE 100 6.344 6.768 -5.276 777 HE2 PHE 100 HE2 PHE 100 5.365 10.141 -2.774 778 HZ PHE 100 HZ PHE 100 5.208 8.976 -4.971 779 H LEU 101 H LEU 101 8.561 10.434 0.538 780 HA LEU 101 HA LEU 101 7.727 9.243 3.163 781 HB2 LEU 101 HB2 LEU 101 9.647 11.550 2.769 782 HB3 LEU 101 HB3 LEU 101 8.834 11.197 4.289 783 HG LEU 101 HG LEU 101 10.720 9.279 2.883 784 HD11 LEU 101 HD11 LEU 101 12.352 9.916 4.578 785 HD12 LEU 101 HD12 LEU 101 11.183 11.057 5.300 786 HD13 LEU 101 HD13 LEU 101 11.825 11.340 3.670 787 HD21 LEU 101 HD21 LEU 101 10.765 8.108 5.082 788 HD22 LEU 101 HD22 LEU 101 9.180 8.057 4.324 789 HD23 LEU 101 HD23 LEU 101 9.475 9.187 5.670 790 H SER 102 H SER 102 5.571 9.521 2.553 791 HA SER 102 HA SER 102 4.578 12.212 2.024 792 HB2 SER 102 HB2 SER 102 3.721 9.659 1.468 793 HB3 SER 102 HB3 SER 102 2.678 10.063 2.851 794 HG SER 102 HG SER 102 1.854 10.667 0.739 795 HA PRO 103 HA PRO 103 3.881 13.228 6.325 796 HB2 PRO 103 HB2 PRO 103 2.024 15.210 6.210 797 HB3 PRO 103 HB3 PRO 103 3.585 15.348 5.364 798 HG2 PRO 103 HG2 PRO 103 0.954 14.448 4.183 799 HG3 PRO 103 HG3 PRO 103 2.052 15.732 3.578 800 HD2 PRO 103 HD2 PRO 103 2.078 13.126 2.712 801 HD3 PRO 103 HD3 PRO 103 3.554 14.148 2.726 802 H GLU 104 H GLU 104 1.475 13.926 7.639 803 HA GLU 104 HA GLU 104 0.426 11.562 8.554 804 HB2 GLU 104 HB2 GLU 104 -1.144 12.833 9.742 805 HB3 GLU 104 HB3 GLU 104 0.265 13.879 9.543 806 HG2 GLU 104 HG2 GLU 104 -0.987 14.852 7.485 807 HG3 GLU 104 HG3 GLU 104 -2.417 14.029 8.107 808 H VAL 105 H VAL 105 -0.512 13.176 5.610 809 HA VAL 105 HA VAL 105 -3.065 12.142 5.189 810 HB VAL 105 HB VAL 105 -0.904 12.682 3.103 811 HG11 VAL 105 HG11 VAL 105 -2.876 13.248 1.650 812 HG12 VAL 105 HG12 VAL 105 -2.847 11.548 2.125 813 HG13 VAL 105 HG13 VAL 105 -3.950 12.675 2.952 814 HG21 VAL 105 HG21 VAL 105 -1.225 14.677 4.588 815 HG22 VAL 105 HG22 VAL 105 -1.881 14.966 2.978 816 HG23 VAL 105 HG23 VAL 105 -2.963 14.574 4.329 817 H PHE 106 H PHE 106 0.046 10.504 5.126 818 HA PHE 106 HA PHE 106 -0.608 8.196 3.572 819 HB2 PHE 106 HB2 PHE 106 1.696 8.650 4.152 820 HB3 PHE 106 HB3 PHE 106 1.328 8.729 5.866 821 HD1 PHE 106 HD1 PHE 106 1.487 6.358 2.944 822 HD2 PHE 106 HD2 PHE 106 1.424 6.789 7.246 823 HE1 PHE 106 HE1 PHE 106 1.834 3.971 3.187 824 HE2 PHE 106 HE2 PHE 106 1.864 4.363 7.492 825 HZ PHE 106 HZ PHE 106 2.070 2.929 5.477 826 H GLN 107 H GLN 107 -0.952 8.984 7.068 827 HA GLN 107 HA GLN 107 -2.178 6.456 7.742 828 HB2 GLN 107 HB2 GLN 107 -2.129 9.078 9.306 829 HB3 GLN 107 HB3 GLN 107 -2.654 7.511 9.897 830 HG2 GLN 107 HG2 GLN 107 -0.565 7.333 10.696 831 HG3 GLN 107 HG3 GLN 107 -0.157 6.807 9.073 832 HE21 GLN 107 HE21 GLN 107 0.304 9.226 11.507 833 HE22 GLN 107 HE22 GLN 107 1.236 10.388 10.611 834 H HIS 108 H HIS 108 -3.380 9.639 6.675 835 HA HIS 108 HA HIS 108 -6.093 9.243 7.415 836 HB2 HIS 108 HB2 HIS 108 -4.951 10.873 5.116 837 HB3 HIS 108 HB3 HIS 108 -6.656 10.809 5.514 838 HD1 HIS 108 HD1 HIS 108 -7.021 13.268 6.427 839 HD2 HIS 108 HD2 HIS 108 -3.918 11.077 8.241 840 HE1 HIS 108 HE1 HIS 108 -6.296 14.582 8.462 841 H ILE 109 H ILE 109 -4.252 7.784 4.806 842 HA ILE 109 HA ILE 109 -6.524 6.966 3.213 843 HB ILE 109 HB ILE 109 -3.707 5.938 3.371 844 HG12 ILE 109 HG12 ILE 109 -5.036 7.643 1.220 845 HG13 ILE 109 HG13 ILE 109 -4.192 8.345 2.571 846 HG21 ILE 109 HG21 ILE 109 -4.039 4.777 1.251 847 HG22 ILE 109 HG22 ILE 109 -5.139 4.144 2.464 848 HG23 ILE 109 HG23 ILE 109 -5.742 5.264 1.223 849 HD11 ILE 109 HD11 ILE 109 -2.795 8.309 0.596 850 HD12 ILE 109 HD12 ILE 109 -2.088 7.391 1.929 851 HD13 ILE 109 HD13 ILE 109 -2.833 6.539 0.559 852 H TRP 110 H TRP 110 -4.635 5.550 5.943 853 HA TRP 110 HA TRP 110 -6.120 3.077 5.904 854 HB2 TRP 110 HB2 TRP 110 -4.399 4.183 8.140 855 HB3 TRP 110 HB3 TRP 110 -4.856 2.503 7.829 856 HD1 TRP 110 HD1 TRP 110 -1.882 4.358 7.656 857 HE1 TRP 110 HE1 TRP 110 -0.313 3.774 5.726 858 HE3 TRP 110 HE3 TRP 110 -5.092 1.578 4.819 859 HZ2 TRP 110 HZ2 TRP 110 -0.494 2.352 3.180 860 HZ3 TRP 110 HZ3 TRP 110 -4.435 0.701 2.642 861 HH2 TRP 110 HH2 TRP 110 -2.127 1.096 1.773 862 H ASP 111 H ASP 111 -6.651 6.208 7.317 863 HA ASP 111 HA ASP 111 -8.617 5.294 9.313 864 HB2 ASP 111 HB2 ASP 111 -7.404 7.338 9.792 865 HB3 ASP 111 HB3 ASP 111 -7.792 8.025 8.215 866 H PHE 112 H PHE 112 -8.859 7.228 6.246 867 HA PHE 112 HA PHE 112 -11.680 7.084 6.349 868 HB2 PHE 112 HB2 PHE 112 -11.764 8.349 4.515 869 HB3 PHE 112 HB3 PHE 112 -10.061 8.608 4.851 870 HD1 PHE 112 HD1 PHE 112 -12.436 7.572 2.344 871 HD2 PHE 112 HD2 PHE 112 -8.494 6.771 3.802 872 HE1 PHE 112 HE1 PHE 112 -11.863 6.472 0.198 873 HE2 PHE 112 HE2 PHE 112 -7.882 5.658 1.693 874 HZ PHE 112 HZ PHE 112 -9.583 5.539 -0.174 875 H LEU 113 H LEU 113 -9.421 4.654 5.107 876 HA LEU 113 HA LEU 113 -11.267 3.414 3.342 877 HB2 LEU 113 HB2 LEU 113 -9.878 1.700 3.089 878 HB3 LEU 113 HB3 LEU 113 -8.793 2.989 3.524 879 HG LEU 113 HG LEU 113 -8.914 1.972 5.954 880 HD11 LEU 113 HD11 LEU 113 -10.637 0.266 5.814 881 HD12 LEU 113 HD12 LEU 113 -9.124 -0.608 5.770 882 HD13 LEU 113 HD13 LEU 113 -10.025 -0.308 4.259 883 HD21 LEU 113 HD21 LEU 113 -7.047 0.579 5.415 884 HD22 LEU 113 HD22 LEU 113 -7.055 1.920 4.234 885 HD23 LEU 113 HD23 LEU 113 -7.621 0.320 3.755 886 H GLU 114 H GLU 114 -11.121 3.402 6.842 887 HA GLU 114 HA GLU 114 -12.584 0.945 7.157 888 HB2 GLU 114 HB2 GLU 114 -12.009 3.265 9.054 889 HB3 GLU 114 HB3 GLU 114 -12.901 1.819 9.520 890 HG2 GLU 114 HG2 GLU 114 -10.839 0.530 8.440 891 HG3 GLU 114 HG3 GLU 114 -10.014 2.074 8.639 892 H GLN 115 H GLN 115 -13.537 4.323 6.914 893 HA GLN 115 HA GLN 115 -16.327 3.708 7.574 894 HB2 GLN 115 HB2 GLN 115 -16.653 6.077 7.314 895 HB3 GLN 115 HB3 GLN 115 -15.213 5.813 8.264 896 HG2 GLN 115 HG2 GLN 115 -13.800 6.591 6.596 897 HG3 GLN 115 HG3 GLN 115 -14.963 6.328 5.297 898 HE21 GLN 115 HE21 GLN 115 -14.474 8.551 4.632 899 HE22 GLN 115 HE22 GLN 115 -15.161 9.916 5.488 900 HA PRO 116 HA PRO 116 -17.720 3.213 3.359 901 HB2 PRO 116 HB2 PRO 116 -20.269 4.140 3.352 902 HB3 PRO 116 HB3 PRO 116 -19.805 2.777 4.402 903 HG2 PRO 116 HG2 PRO 116 -19.978 5.726 5.137 904 HG3 PRO 116 HG3 PRO 116 -20.765 4.343 5.951 905 HD2 PRO 116 HD2 PRO 116 -18.419 5.371 6.788 906 HD3 PRO 116 HD3 PRO 116 -18.730 3.617 6.894 907 H ILE 117 H ILE 117 -19.265 5.035 1.787 908 HA ILE 117 HA ILE 117 -19.004 6.818 0.460 909 HB ILE 117 HB ILE 117 -18.232 8.261 3.023 910 HG12 ILE 117 HG12 ILE 117 -20.973 8.001 1.698 911 HG13 ILE 117 HG13 ILE 117 -20.459 6.962 3.011 912 HG21 ILE 117 HG21 ILE 117 -17.706 9.720 1.164 913 HG22 ILE 117 HG22 ILE 117 -19.218 9.313 0.336 914 HG23 ILE 117 HG23 ILE 117 -19.207 10.273 1.838 915 HD11 ILE 117 HD11 ILE 117 -20.809 9.962 3.267 916 HD12 ILE 117 HD12 ILE 117 -21.881 8.690 3.859 917 HD13 ILE 117 HD13 ILE 117 -20.255 8.843 4.535 918 H SER 118 H SER 118 -17.113 4.985 0.142 919 HA SER 118 HA SER 118 -14.449 6.098 0.182 920 HB2 SER 118 HB2 SER 118 -14.045 3.927 -1.194 921 HB3 SER 118 HB3 SER 118 -14.510 3.832 0.485 922 HG SER 118 HG SER 118 -16.065 3.342 -1.780 923 H SER 119 H SER 119 -16.385 7.740 -1.173 924 HA SER 119 HA SER 119 -16.075 7.603 -4.084 925 HB2 SER 119 HB2 SER 119 -17.299 9.701 -2.228 926 HB3 SER 119 HB3 SER 119 -17.504 9.590 -3.989 927 HG SER 119 HG SER 119 -19.207 8.720 -2.549 928 H VAL 120 H VAL 120 -13.707 7.642 -4.017 929 HA VAL 120 HA VAL 120 -12.327 9.903 -2.854 930 HB VAL 120 HB VAL 120 -11.351 7.845 -4.876 931 HG11 VAL 120 HG11 VAL 120 -9.761 9.725 -3.059 932 HG12 VAL 120 HG12 VAL 120 -9.093 8.542 -4.216 933 HG13 VAL 120 HG13 VAL 120 -9.954 9.940 -4.811 934 HG21 VAL 120 HG21 VAL 120 -10.265 6.795 -2.877 935 HG22 VAL 120 HG22 VAL 120 -11.109 7.958 -1.835 936 HG23 VAL 120 HG23 VAL 120 -12.024 6.758 -2.770 937 H GLN 121 H GLN 121 -13.444 11.658 -3.614 938 HA GLN 121 HA GLN 121 -12.782 12.445 -6.407 939 HB2 GLN 121 HB2 GLN 121 -15.175 11.714 -6.165 940 HB3 GLN 121 HB3 GLN 121 -15.430 13.075 -5.063 941 HG2 GLN 121 HG2 GLN 121 -14.613 14.616 -6.907 942 HG3 GLN 121 HG3 GLN 121 -14.475 13.211 -7.968 943 HE21 GLN 121 HE21 GLN 121 -16.288 15.765 -7.842 944 HE22 GLN 121 HE22 GLN 121 -17.822 15.061 -8.323 945 HA PRO 122 HA PRO 122 -11.327 15.481 -3.162 946 HB2 PRO 122 HB2 PRO 122 -8.738 15.767 -4.117 947 HB3 PRO 122 HB3 PRO 122 -9.204 14.525 -2.925 948 HG2 PRO 122 HG2 PRO 122 -8.906 14.218 -5.917 949 HG3 PRO 122 HG3 PRO 122 -8.300 13.139 -4.617 950 HD2 PRO 122 HD2 PRO 122 -10.593 12.585 -5.955 951 HD3 PRO 122 HD3 PRO 122 -10.444 12.268 -4.200 952 H ILE 123 H ILE 123 -11.240 17.739 -3.658 953 HA ILE 123 HA ILE 123 -12.177 18.437 -6.323 954 HB ILE 123 HB ILE 123 -12.338 20.685 -5.464 955 HG12 ILE 123 HG12 ILE 123 -10.887 19.662 -2.984 956 HG13 ILE 123 HG13 ILE 123 -10.314 20.880 -4.129 957 HG21 ILE 123 HG21 ILE 123 -13.341 18.807 -3.305 958 HG22 ILE 123 HG22 ILE 123 -14.074 20.308 -3.908 959 HG23 ILE 123 HG23 ILE 123 -14.023 18.877 -4.943 960 HD11 ILE 123 HD11 ILE 123 -12.207 22.369 -3.444 961 HD12 ILE 123 HD12 ILE 123 -12.645 21.174 -2.199 962 HD13 ILE 123 HD13 ILE 123 -11.075 21.987 -2.131 963 H ASP 124 H ASP 124 -11.130 20.501 -7.349 964 HA ASP 124 HA ASP 124 -8.204 20.447 -7.401 965 HB2 ASP 124 HB2 ASP 124 -7.960 20.144 -9.680 966 HB3 ASP 124 HB3 ASP 124 -9.180 18.949 -9.329 Start of MODEL 7 1 H1 ALA 1 H ALA 1 17.783 -3.977 11.933 2 HA ALA 1 HA ALA 1 20.397 -2.929 12.848 3 HB1 ALA 1 HB1 ALA 1 19.199 -3.179 10.055 4 HB2 ALA 1 HB2 ALA 1 20.641 -2.213 10.417 5 HB3 ALA 1 HB3 ALA 1 20.666 -3.955 10.679 6 H THR 2 H THR 2 20.808 -0.645 12.347 7 HA THR 2 HA THR 2 18.532 1.170 11.981 8 HB THR 2 HB THR 2 19.776 2.532 13.872 9 HG1 THR 2 HG1 THR 2 20.710 1.272 15.442 10 HG21 THR 2 HG21 THR 2 18.185 1.758 15.488 11 HG22 THR 2 HG22 THR 2 18.032 0.175 14.699 12 HG23 THR 2 HG23 THR 2 17.409 1.652 13.909 13 H GLN 3 H GLN 3 19.252 1.762 10.009 14 HA GLN 3 HA GLN 3 22.087 2.622 9.775 15 HB2 GLN 3 HB2 GLN 3 21.565 0.383 8.720 16 HB3 GLN 3 HB3 GLN 3 20.380 1.194 7.702 17 HG2 GLN 3 HG2 GLN 3 22.368 0.795 6.455 18 HG3 GLN 3 HG3 GLN 3 22.203 2.537 6.675 19 HE21 GLN 3 HE21 GLN 3 24.421 0.047 6.664 20 HE22 GLN 3 HE22 GLN 3 25.668 0.827 7.626 21 H SER 4 H SER 4 18.711 3.042 8.673 22 HA SER 4 HA SER 4 19.474 5.758 7.657 23 HB2 SER 4 HB2 SER 4 16.971 4.173 7.028 24 HB3 SER 4 HB3 SER 4 17.573 5.638 6.253 25 HG SER 4 HG SER 4 19.455 4.241 5.594 26 HA PRO 5 HA PRO 5 16.945 7.478 10.879 27 HB2 PRO 5 HB2 PRO 5 15.919 9.771 9.688 28 HB3 PRO 5 HB3 PRO 5 17.569 9.605 10.351 29 HG2 PRO 5 HG2 PRO 5 16.670 9.358 7.485 30 HG3 PRO 5 HG3 PRO 5 18.126 10.177 8.146 31 HD2 PRO 5 HD2 PRO 5 18.237 7.697 7.023 32 HD3 PRO 5 HD3 PRO 5 19.264 8.141 8.411 33 H GLY 6 H GLY 6 15.539 7.056 7.608 34 HA2 GLY 6 HA2 GLY 6 12.818 6.922 8.560 35 HA3 GLY 6 HA3 GLY 6 13.403 6.602 6.930 36 H ASP 7 H ASP 7 15.217 4.632 9.119 37 HA ASP 7 HA ASP 7 13.990 2.216 8.149 38 HB2 ASP 7 HB2 ASP 7 15.960 2.786 10.397 39 HB3 ASP 7 HB3 ASP 7 15.235 1.203 10.215 40 H SER 8 H SER 8 13.691 4.022 11.181 41 HA SER 8 HA SER 8 12.120 2.474 12.786 42 HB2 SER 8 HB2 SER 8 13.091 4.642 13.339 43 HB3 SER 8 HB3 SER 8 11.974 5.473 12.252 44 HG SER 8 HG SER 8 11.672 4.918 14.803 45 H ARG 9 H ARG 9 11.012 4.270 9.956 46 HA ARG 9 HA ARG 9 8.273 4.299 10.218 47 HB2 ARG 9 HB2 ARG 9 9.798 3.732 7.649 48 HB3 ARG 9 HB3 ARG 9 8.162 4.381 7.787 49 HG2 ARG 9 HG2 ARG 9 8.972 6.425 8.887 50 HG3 ARG 9 HG3 ARG 9 10.608 5.816 8.923 51 HD2 ARG 9 HD2 ARG 9 10.642 7.275 7.119 52 HD3 ARG 9 HD3 ARG 9 10.529 5.689 6.367 53 HE ARG 9 HE ARG 9 8.460 6.225 5.528 54 HH11 ARG 9 HH11 ARG 9 9.291 8.710 8.017 55 HH12 ARG 9 HH12 ARG 9 7.853 9.624 7.654 56 HH21 ARG 9 HH21 ARG 9 6.642 7.549 5.138 57 HH22 ARG 9 HH22 ARG 9 6.335 8.939 6.157 58 H ARG 10 H ARG 10 10.309 1.488 9.556 59 HA ARG 10 HA ARG 10 8.522 -0.349 8.477 60 HB2 ARG 10 HB2 ARG 10 9.911 -2.050 9.488 61 HB3 ARG 10 HB3 ARG 10 10.925 -0.731 8.885 62 HG2 ARG 10 HG2 ARG 10 11.007 0.096 11.344 63 HG3 ARG 10 HG3 ARG 10 10.185 -1.407 11.776 64 HD2 ARG 10 HD2 ARG 10 11.991 -2.718 10.642 65 HD3 ARG 10 HD3 ARG 10 12.810 -1.207 10.251 66 HE ARG 10 HE ARG 10 13.692 -1.113 12.309 67 HH11 ARG 10 HH11 ARG 10 11.010 -3.485 12.640 68 HH12 ARG 10 HH12 ARG 10 11.915 -4.402 13.808 69 HH21 ARG 10 HH21 ARG 10 14.502 -2.081 14.141 70 HH22 ARG 10 HH22 ARG 10 13.802 -3.538 14.789 71 H LEU 11 H LEU 11 8.640 0.783 11.894 72 HA LEU 11 HA LEU 11 7.093 -1.301 12.973 73 HB2 LEU 11 HB2 LEU 11 6.777 0.044 14.889 74 HB3 LEU 11 HB3 LEU 11 8.382 0.350 14.268 75 HG LEU 11 HG LEU 11 7.120 2.430 13.084 76 HD11 LEU 11 HD11 LEU 11 5.614 2.222 15.726 77 HD12 LEU 11 HD12 LEU 11 4.872 1.728 14.208 78 HD13 LEU 11 HD13 LEU 11 5.391 3.398 14.421 79 HD21 LEU 11 HD21 LEU 11 7.963 2.498 15.995 80 HD22 LEU 11 HD22 LEU 11 7.890 3.861 14.862 81 HD23 LEU 11 HD23 LEU 11 9.074 2.574 14.617 82 H SER 12 H SER 12 6.096 1.809 11.642 83 HA SER 12 HA SER 12 3.274 1.391 11.873 84 HB2 SER 12 HB2 SER 12 4.146 3.628 11.902 85 HB3 SER 12 HB3 SER 12 5.060 3.375 10.411 86 HG SER 12 HG SER 12 2.547 4.233 10.718 87 H ILE 13 H ILE 13 5.552 1.422 9.141 88 HA ILE 13 HA ILE 13 3.761 0.838 7.102 89 HB ILE 13 HB ILE 13 6.736 0.358 7.409 90 HG12 ILE 13 HG12 ILE 13 5.113 2.337 5.726 91 HG13 ILE 13 HG13 ILE 13 5.801 2.712 7.302 92 HG21 ILE 13 HG21 ILE 13 4.891 -0.282 5.110 93 HG22 ILE 13 HG22 ILE 13 6.623 0.028 4.847 94 HG23 ILE 13 HG23 ILE 13 6.096 -1.312 5.870 95 HD11 ILE 13 HD11 ILE 13 7.351 2.089 4.765 96 HD12 ILE 13 HD12 ILE 13 7.277 3.603 5.667 97 HD13 ILE 13 HD13 ILE 13 8.093 2.194 6.380 98 H GLN 14 H GLN 14 5.732 -1.691 8.936 99 HA GLN 14 HA GLN 14 4.425 -3.788 7.569 100 HB2 GLN 14 HB2 GLN 14 5.772 -3.713 10.267 101 HB3 GLN 14 HB3 GLN 14 5.101 -5.197 9.589 102 HG2 GLN 14 HG2 GLN 14 7.103 -3.509 8.044 103 HG3 GLN 14 HG3 GLN 14 7.607 -4.727 9.210 104 HE21 GLN 14 HE21 GLN 14 8.613 -6.176 7.730 105 HE22 GLN 14 HE22 GLN 14 7.635 -7.075 6.587 106 H ARG 15 H ARG 15 3.310 -2.029 10.548 107 HA ARG 15 HA ARG 15 1.145 -3.813 11.065 108 HB2 ARG 15 HB2 ARG 15 1.684 -0.895 11.656 109 HB3 ARG 15 HB3 ARG 15 0.076 -1.555 11.955 110 HG2 ARG 15 HG2 ARG 15 1.050 -3.299 13.401 111 HG3 ARG 15 HG3 ARG 15 2.668 -2.662 13.075 112 HD2 ARG 15 HD2 ARG 15 1.817 -1.894 15.274 113 HD3 ARG 15 HD3 ARG 15 2.150 -0.560 14.168 114 HE ARG 15 HE ARG 15 -0.031 0.083 14.261 115 HH11 ARG 15 HH11 ARG 15 -0.002 -3.314 15.399 116 HH12 ARG 15 HH12 ARG 15 -1.713 -3.335 15.679 117 HH21 ARG 15 HH21 ARG 15 -2.159 0.085 14.782 118 HH22 ARG 15 HH22 ARG 15 -2.941 -1.300 15.508 119 H ALA 16 H ALA 16 1.521 -1.306 8.655 120 HA ALA 16 HA ALA 16 -1.297 -1.222 7.861 121 HB1 ALA 16 HB1 ALA 16 1.071 -0.255 6.215 122 HB2 ALA 16 HB2 ALA 16 -0.621 0.275 6.173 123 HB3 ALA 16 HB3 ALA 16 0.403 0.672 7.564 124 H ILE 17 H ILE 17 1.725 -2.333 6.328 125 HA ILE 17 HA ILE 17 0.770 -3.732 4.177 126 HB ILE 17 HB ILE 17 3.313 -4.055 5.762 127 HG12 ILE 17 HG12 ILE 17 2.523 -2.639 3.176 128 HG13 ILE 17 HG13 ILE 17 3.011 -1.880 4.691 129 HG21 ILE 17 HG21 ILE 17 2.810 -5.228 3.009 130 HG22 ILE 17 HG22 ILE 17 4.309 -5.315 3.957 131 HG23 ILE 17 HG23 ILE 17 2.904 -6.180 4.508 132 HD11 ILE 17 HD11 ILE 17 5.275 -2.987 4.376 133 HD12 ILE 17 HD12 ILE 17 4.735 -3.346 2.714 134 HD13 ILE 17 HD13 ILE 17 4.850 -1.675 3.242 135 H GLN 18 H GLN 18 1.248 -5.111 7.466 136 HA GLN 18 HA GLN 18 0.775 -7.788 6.838 137 HB2 GLN 18 HB2 GLN 18 0.275 -6.082 9.298 138 HB3 GLN 18 HB3 GLN 18 -0.164 -7.792 9.288 139 HG2 GLN 18 HG2 GLN 18 2.083 -8.477 8.800 140 HG3 GLN 18 HG3 GLN 18 2.637 -6.827 8.549 141 HE21 GLN 18 HE21 GLN 18 1.373 -9.107 11.027 142 HE22 GLN 18 HE22 GLN 18 2.116 -8.289 12.384 143 H SER 19 H SER 19 -1.601 -5.159 7.200 144 HA SER 19 HA SER 19 -3.850 -7.033 7.004 145 HB2 SER 19 HB2 SER 19 -3.752 -4.012 7.088 146 HB3 SER 19 HB3 SER 19 -5.231 -5.002 7.153 147 HG SER 19 HG SER 19 -4.440 -5.918 9.092 148 H LEU 20 H LEU 20 -2.139 -4.650 4.969 149 HA LEU 20 HA LEU 20 -3.870 -4.673 2.731 150 HB2 LEU 20 HB2 LEU 20 -2.423 -2.901 2.733 151 HB3 LEU 20 HB3 LEU 20 -1.077 -3.854 3.306 152 HG LEU 20 HG LEU 20 -0.733 -4.803 1.029 153 HD11 LEU 20 HD11 LEU 20 -2.875 -2.791 0.215 154 HD12 LEU 20 HD12 LEU 20 -2.949 -4.557 0.009 155 HD13 LEU 20 HD13 LEU 20 -1.774 -3.619 -0.905 156 HD21 LEU 20 HD21 LEU 20 -0.708 -1.768 1.168 157 HD22 LEU 20 HD22 LEU 20 0.270 -2.788 0.085 158 HD23 LEU 20 HD23 LEU 20 0.537 -2.851 1.823 159 H VAL 21 H VAL 21 -0.839 -6.541 3.267 160 HA VAL 21 HA VAL 21 -0.780 -8.001 0.884 161 HB VAL 21 HB VAL 21 0.093 -8.705 3.721 162 HG11 VAL 21 HG11 VAL 21 1.597 -10.408 2.690 163 HG12 VAL 21 HG12 VAL 21 -0.105 -10.837 2.525 164 HG13 VAL 21 HG13 VAL 21 0.771 -10.176 1.135 165 HG21 VAL 21 HG21 VAL 21 1.195 -6.740 2.459 166 HG22 VAL 21 HG22 VAL 21 2.263 -8.006 3.091 167 HG23 VAL 21 HG23 VAL 21 1.870 -7.966 1.371 168 H HIS 22 H HIS 22 -2.271 -8.946 4.020 169 HA HIS 22 HA HIS 22 -3.365 -11.367 3.204 170 HB2 HIS 22 HB2 HIS 22 -3.280 -10.660 5.525 171 HB3 HIS 22 HB3 HIS 22 -4.356 -9.299 5.199 172 HD1 HIS 22 HD1 HIS 22 -4.466 -13.142 5.400 173 HD2 HIS 22 HD2 HIS 22 -6.984 -9.777 4.932 174 HE1 HIS 22 HE1 HIS 22 -6.883 -14.002 5.304 175 H ALA 23 H ALA 23 -5.047 -8.141 3.227 176 HA ALA 23 HA ALA 23 -7.411 -9.099 1.999 177 HB1 ALA 23 HB1 ALA 23 -7.269 -7.008 3.224 178 HB2 ALA 23 HB2 ALA 23 -6.166 -6.326 2.015 179 HB3 ALA 23 HB3 ALA 23 -7.846 -6.693 1.579 180 H ALA 24 H ALA 24 -4.325 -8.137 0.551 181 HA ALA 24 HA ALA 24 -5.336 -7.835 -2.127 182 HB1 ALA 24 HB1 ALA 24 -2.975 -7.830 -2.771 183 HB2 ALA 24 HB2 ALA 24 -3.230 -6.767 -1.366 184 HB3 ALA 24 HB3 ALA 24 -2.489 -8.375 -1.159 185 H GLN 25 H GLN 25 -4.319 -10.661 -0.197 186 HA GLN 25 HA GLN 25 -4.524 -12.328 -2.672 187 HB2 GLN 25 HB2 GLN 25 -3.159 -13.951 -1.622 188 HB3 GLN 25 HB3 GLN 25 -2.351 -12.389 -1.535 189 HG2 GLN 25 HG2 GLN 25 -2.892 -12.181 0.834 190 HG3 GLN 25 HG3 GLN 25 -3.905 -13.617 0.796 191 HE21 GLN 25 HE21 GLN 25 -2.801 -15.756 0.228 192 HE22 GLN 25 HE22 GLN 25 -1.169 -15.934 0.819 193 H CYS 26 H CYS 26 -6.328 -11.525 0.010 194 HA CYS 26 HA CYS 26 -7.548 -13.918 0.868 195 HB2 CYS 26 HB2 CYS 26 -7.600 -11.946 2.188 196 HB3 CYS 26 HB3 CYS 26 -8.312 -11.001 0.890 197 H ARG 27 H ARG 27 -8.403 -15.278 -0.756 198 HA ARG 27 HA ARG 27 -10.909 -14.367 -1.915 199 HB2 ARG 27 HB2 ARG 27 -10.439 -15.068 -4.221 200 HB3 ARG 27 HB3 ARG 27 -9.567 -13.625 -3.739 201 HG2 ARG 27 HG2 ARG 27 -7.484 -14.936 -3.473 202 HG3 ARG 27 HG3 ARG 27 -8.336 -16.407 -3.932 203 HD2 ARG 27 HD2 ARG 27 -7.398 -15.823 -5.912 204 HD3 ARG 27 HD3 ARG 27 -9.019 -15.130 -6.088 205 HE ARG 27 HE ARG 27 -7.362 -13.128 -4.979 206 HH11 ARG 27 HH11 ARG 27 -7.548 -14.964 -7.988 207 HH12 ARG 27 HH12 ARG 27 -6.507 -13.902 -8.890 208 HH21 ARG 27 HH21 ARG 27 -5.963 -11.800 -6.036 209 HH22 ARG 27 HH22 ARG 27 -5.451 -12.085 -7.670 210 H ASN 28 H ASN 28 -11.716 -15.796 -0.347 211 HA ASN 28 HA ASN 28 -11.951 -18.508 -1.213 212 HB2 ASN 28 HB2 ASN 28 -9.594 -18.444 -0.033 213 HB3 ASN 28 HB3 ASN 28 -10.500 -18.164 1.460 214 HD21 ASN 28 HD21 ASN 28 -9.402 -20.358 2.081 215 HD22 ASN 28 HD22 ASN 28 -10.330 -21.756 1.603 216 H ALA 29 H ALA 29 -13.432 -19.721 0.355 217 HA ALA 29 HA ALA 29 -15.401 -17.861 1.440 218 HB1 ALA 29 HB1 ALA 29 -15.274 -20.910 1.475 219 HB2 ALA 29 HB2 ALA 29 -16.645 -19.924 2.001 220 HB3 ALA 29 HB3 ALA 29 -16.134 -19.891 0.296 221 H ASN 30 H ASN 30 -13.078 -20.214 2.796 222 HA ASN 30 HA ASN 30 -13.763 -19.947 5.527 223 HB2 ASN 30 HB2 ASN 30 -12.358 -21.758 4.733 224 HB3 ASN 30 HB3 ASN 30 -11.147 -20.648 4.109 225 HD21 ASN 30 HD21 ASN 30 -9.844 -19.345 5.795 226 HD22 ASN 30 HD22 ASN 30 -9.609 -20.099 7.336 227 H CYS 31 H CYS 31 -11.660 -17.947 3.476 228 HA CYS 31 HA CYS 31 -10.299 -16.678 5.662 229 HB2 CYS 31 HB2 CYS 31 -9.423 -16.734 3.305 230 HB3 CYS 31 HB3 CYS 31 -10.752 -15.620 2.847 231 H SER 32 H SER 32 -11.222 -15.595 7.112 232 HA SER 32 HA SER 32 -13.019 -13.351 6.512 233 HB2 SER 32 HB2 SER 32 -13.629 -15.598 8.441 234 HB3 SER 32 HB3 SER 32 -14.413 -14.009 8.493 235 HG SER 32 HG SER 32 -15.611 -15.442 7.236 236 H LEU 33 H LEU 33 -11.479 -11.797 7.030 237 HA LEU 33 HA LEU 33 -10.354 -11.941 9.802 238 HB2 LEU 33 HB2 LEU 33 -8.930 -11.503 7.290 239 HB3 LEU 33 HB3 LEU 33 -8.797 -10.100 8.354 240 HG LEU 33 HG LEU 33 -8.144 -11.783 10.214 241 HD11 LEU 33 HD11 LEU 33 -8.795 -13.854 9.091 242 HD12 LEU 33 HD12 LEU 33 -7.036 -13.847 9.323 243 HD13 LEU 33 HD13 LEU 33 -7.719 -13.505 7.725 244 HD21 LEU 33 HD21 LEU 33 -6.578 -10.192 9.185 245 HD22 LEU 33 HD22 LEU 33 -6.258 -11.352 7.875 246 HD23 LEU 33 HD23 LEU 33 -5.808 -11.740 9.547 247 HA PRO 34 HA PRO 34 -12.881 -8.380 10.335 248 HB2 PRO 34 HB2 PRO 34 -11.568 -6.972 12.327 249 HB3 PRO 34 HB3 PRO 34 -12.488 -8.481 12.604 250 HG2 PRO 34 HG2 PRO 34 -9.501 -8.200 12.150 251 HG3 PRO 34 HG3 PRO 34 -10.331 -9.115 13.436 252 HD2 PRO 34 HD2 PRO 34 -9.470 -10.381 11.269 253 HD3 PRO 34 HD3 PRO 34 -11.086 -10.765 11.935 254 H SER 35 H SER 35 -9.363 -7.645 10.151 255 HA SER 35 HA SER 35 -9.749 -5.013 9.114 256 HB2 SER 35 HB2 SER 35 -7.259 -6.741 8.965 257 HB3 SER 35 HB3 SER 35 -7.362 -4.972 9.039 258 HG SER 35 HG SER 35 -8.470 -5.345 11.134 259 H CYS 36 H CYS 36 -9.424 -8.195 7.606 260 HA CYS 36 HA CYS 36 -8.679 -7.516 5.033 261 HB2 CYS 36 HB2 CYS 36 -8.855 -9.784 6.026 262 HB3 CYS 36 HB3 CYS 36 -10.616 -9.715 5.898 263 H GLN 37 H GLN 37 -12.046 -8.036 6.174 264 HA GLN 37 HA GLN 37 -13.277 -7.254 3.757 265 HB2 GLN 37 HB2 GLN 37 -15.319 -6.828 5.184 266 HB3 GLN 37 HB3 GLN 37 -14.610 -8.437 5.309 267 HG2 GLN 37 HG2 GLN 37 -13.770 -8.083 7.482 268 HG3 GLN 37 HG3 GLN 37 -13.808 -6.324 7.315 269 HE21 GLN 37 HE21 GLN 37 -15.463 -8.844 8.907 270 HE22 GLN 37 HE22 GLN 37 -16.969 -7.989 9.067 271 H LYS 38 H LYS 38 -12.120 -5.198 6.396 272 HA LYS 38 HA LYS 38 -13.340 -2.749 5.352 273 HB2 LYS 38 HB2 LYS 38 -11.030 -3.153 7.316 274 HB3 LYS 38 HB3 LYS 38 -11.951 -1.677 7.087 275 HG2 LYS 38 HG2 LYS 38 -13.145 -4.289 8.103 276 HG3 LYS 38 HG3 LYS 38 -12.533 -3.034 9.145 277 HD2 LYS 38 HD2 LYS 38 -14.738 -2.441 7.136 278 HD3 LYS 38 HD3 LYS 38 -15.073 -3.182 8.707 279 HE2 LYS 38 HE2 LYS 38 -13.944 -1.328 9.872 280 HE3 LYS 38 HE3 LYS 38 -13.597 -0.563 8.311 281 HZ1 LYS 38 HZ1 LYS 38 -15.499 0.383 9.426 282 HZ2 LYS 38 HZ2 LYS 38 -16.344 -1.040 9.328 283 HZ3 LYS 38 HZ3 LYS 38 -15.907 -0.186 7.967 284 H MET 39 H MET 39 -10.059 -4.193 5.251 285 HA MET 39 HA MET 39 -8.853 -2.258 3.594 286 HB2 MET 39 HB2 MET 39 -8.364 -5.206 4.107 287 HB3 MET 39 HB3 MET 39 -7.476 -4.380 2.825 288 HG2 MET 39 HG2 MET 39 -7.468 -3.470 5.713 289 HG3 MET 39 HG3 MET 39 -6.265 -4.536 4.974 290 HE1 MET 39 HE1 MET 39 -4.042 -2.950 5.343 291 HE2 MET 39 HE2 MET 39 -4.251 -1.207 5.390 292 HE3 MET 39 HE3 MET 39 -5.239 -2.220 6.452 293 H LYS 40 H LYS 40 -10.957 -5.013 2.759 294 HA LYS 40 HA LYS 40 -10.522 -5.142 0.015 295 HB2 LYS 40 HB2 LYS 40 -12.603 -6.075 1.850 296 HB3 LYS 40 HB3 LYS 40 -13.296 -5.551 0.317 297 HG2 LYS 40 HG2 LYS 40 -12.840 -7.862 0.080 298 HG3 LYS 40 HG3 LYS 40 -11.641 -7.002 -0.886 299 HD2 LYS 40 HD2 LYS 40 -10.084 -7.214 1.163 300 HD3 LYS 40 HD3 LYS 40 -11.248 -8.322 1.835 301 HE2 LYS 40 HE2 LYS 40 -10.062 -8.688 -0.947 302 HE3 LYS 40 HE3 LYS 40 -9.258 -9.291 0.495 303 HZ1 LYS 40 HZ1 LYS 40 -10.830 -10.820 -0.820 304 HZ2 LYS 40 HZ2 LYS 40 -12.035 -10.119 0.070 305 HZ3 LYS 40 HZ3 LYS 40 -10.779 -10.896 0.797 306 H ARG 41 H ARG 41 -12.260 -2.598 1.762 307 HA ARG 41 HA ARG 41 -13.668 -1.535 -0.516 308 HB2 ARG 41 HB2 ARG 41 -14.074 -1.001 1.916 309 HB3 ARG 41 HB3 ARG 41 -12.556 -0.106 1.959 310 HG2 ARG 41 HG2 ARG 41 -13.341 1.498 0.350 311 HG3 ARG 41 HG3 ARG 41 -14.800 0.571 0.004 312 HD2 ARG 41 HD2 ARG 41 -14.114 1.819 2.696 313 HD3 ARG 41 HD3 ARG 41 -15.204 2.524 1.485 314 HE ARG 41 HE ARG 41 -16.229 0.003 1.891 315 HH11 ARG 41 HH11 ARG 41 -15.678 2.860 3.898 316 HH12 ARG 41 HH12 ARG 41 -16.238 2.067 5.348 317 HH21 ARG 41 HH21 ARG 41 -17.587 -0.733 3.648 318 HH22 ARG 41 HH22 ARG 41 -17.727 0.246 5.074 319 H VAL 42 H VAL 42 -10.476 -0.934 0.944 320 HA VAL 42 HA VAL 42 -9.639 1.027 -0.939 321 HB VAL 42 HB VAL 42 -7.688 -0.666 0.629 322 HG11 VAL 42 HG11 VAL 42 -7.945 2.343 0.147 323 HG12 VAL 42 HG12 VAL 42 -6.584 1.515 0.914 324 HG13 VAL 42 HG13 VAL 42 -6.934 1.237 -0.800 325 HG21 VAL 42 HG21 VAL 42 -9.406 -0.292 2.349 326 HG22 VAL 42 HG22 VAL 42 -8.052 0.783 2.642 327 HG23 VAL 42 HG23 VAL 42 -9.529 1.425 1.902 328 H VAL 43 H VAL 43 -9.226 -2.531 -0.759 329 HA VAL 43 HA VAL 43 -7.523 -2.904 -2.938 330 HB VAL 43 HB VAL 43 -9.850 -4.642 -2.004 331 HG11 VAL 43 HG11 VAL 43 -7.508 -5.488 -3.731 332 HG12 VAL 43 HG12 VAL 43 -8.694 -6.576 -2.994 333 HG13 VAL 43 HG13 VAL 43 -9.220 -5.429 -4.218 334 HG21 VAL 43 HG21 VAL 43 -7.952 -4.199 -0.304 335 HG22 VAL 43 HG22 VAL 43 -8.367 -5.885 -0.646 336 HG23 VAL 43 HG23 VAL 43 -6.939 -5.166 -1.375 337 H GLN 44 H GLN 44 -11.097 -2.568 -2.914 338 HA GLN 44 HA GLN 44 -11.486 -2.977 -5.735 339 HB2 GLN 44 HB2 GLN 44 -13.117 -1.469 -3.641 340 HB3 GLN 44 HB3 GLN 44 -13.658 -1.762 -5.293 341 HG2 GLN 44 HG2 GLN 44 -13.710 -4.125 -4.968 342 HG3 GLN 44 HG3 GLN 44 -12.904 -4.041 -3.423 343 HE21 GLN 44 HE21 GLN 44 -14.229 -4.033 -1.647 344 HE22 GLN 44 HE22 GLN 44 -15.964 -3.756 -1.695 345 H HIS 45 H HIS 45 -10.839 0.018 -3.787 346 HA HIS 45 HA HIS 45 -11.343 1.814 -5.910 347 HB2 HIS 45 HB2 HIS 45 -11.120 2.740 -3.738 348 HB3 HIS 45 HB3 HIS 45 -9.568 1.957 -3.451 349 HD1 HIS 45 HD1 HIS 45 -11.007 4.904 -5.450 350 HD2 HIS 45 HD2 HIS 45 -7.365 2.998 -4.513 351 HE1 HIS 45 HE1 HIS 45 -9.128 6.402 -6.319 352 H THR 46 H THR 46 -8.107 0.393 -4.941 353 HA THR 46 HA THR 46 -6.786 1.623 -7.138 354 HB THR 46 HB THR 46 -5.500 0.906 -5.294 355 HG1 THR 46 HG1 THR 46 -4.462 0.650 -7.372 356 HG21 THR 46 HG21 THR 46 -6.726 -0.939 -4.376 357 HG22 THR 46 HG22 THR 46 -5.091 -1.491 -4.767 358 HG23 THR 46 HG23 THR 46 -6.466 -1.903 -5.858 359 H LYS 47 H LYS 47 -8.595 -1.373 -7.031 360 HA LYS 47 HA LYS 47 -7.681 -2.657 -9.308 361 HB2 LYS 47 HB2 LYS 47 -9.456 -3.480 -7.721 362 HB3 LYS 47 HB3 LYS 47 -10.618 -2.446 -8.524 363 HG2 LYS 47 HG2 LYS 47 -10.469 -3.622 -10.571 364 HG3 LYS 47 HG3 LYS 47 -9.036 -4.499 -10.059 365 HD2 LYS 47 HD2 LYS 47 -11.776 -4.802 -8.796 366 HD3 LYS 47 HD3 LYS 47 -11.162 -5.844 -10.070 367 HE2 LYS 47 HE2 LYS 47 -9.902 -5.517 -7.312 368 HE3 LYS 47 HE3 LYS 47 -10.910 -6.869 -7.825 369 HZ1 LYS 47 HZ1 LYS 47 -8.321 -6.149 -9.065 370 HZ2 LYS 47 HZ2 LYS 47 -9.253 -7.471 -9.431 371 HZ3 LYS 47 HZ3 LYS 47 -8.528 -7.330 -7.957 372 H GLY 48 H GLY 48 -9.838 0.144 -9.212 373 HA2 GLY 48 HA2 GLY 48 -9.689 0.309 -12.194 374 HA3 GLY 48 HA3 GLY 48 -11.137 0.680 -11.286 375 H CYS 49 H CYS 49 -8.338 1.815 -9.600 376 HA CYS 49 HA CYS 49 -9.154 4.516 -10.060 377 HB2 CYS 49 HB2 CYS 49 -8.075 3.788 -7.965 378 HB3 CYS 49 HB3 CYS 49 -6.536 3.580 -8.852 379 H LYS 50 H LYS 50 -9.069 5.192 -12.169 380 HA LYS 50 HA LYS 50 -6.512 4.849 -13.652 381 HB2 LYS 50 HB2 LYS 50 -9.310 5.579 -14.427 382 HB3 LYS 50 HB3 LYS 50 -7.990 6.265 -15.372 383 HG2 LYS 50 HG2 LYS 50 -8.702 4.281 -16.413 384 HG3 LYS 50 HG3 LYS 50 -7.089 4.002 -15.757 385 HD2 LYS 50 HD2 LYS 50 -7.974 2.625 -13.976 386 HD3 LYS 50 HD3 LYS 50 -9.630 3.143 -14.366 387 HE2 LYS 50 HE2 LYS 50 -9.436 2.091 -16.606 388 HE3 LYS 50 HE3 LYS 50 -7.823 1.495 -16.193 389 HZ1 LYS 50 HZ1 LYS 50 -9.625 -0.131 -15.883 390 HZ2 LYS 50 HZ2 LYS 50 -10.291 0.800 -14.710 391 HZ3 LYS 50 HZ3 LYS 50 -8.799 0.123 -14.503 392 H ARG 51 H ARG 51 -7.503 6.990 -11.252 393 HA ARG 51 HA ARG 51 -6.861 9.504 -12.251 394 HB2 ARG 51 HB2 ARG 51 -7.622 8.765 -9.828 395 HB3 ARG 51 HB3 ARG 51 -5.904 8.621 -9.515 396 HG2 ARG 51 HG2 ARG 51 -6.394 10.810 -8.808 397 HG3 ARG 51 HG3 ARG 51 -5.732 11.079 -10.419 398 HD2 ARG 51 HD2 ARG 51 -8.082 11.165 -11.311 399 HD3 ARG 51 HD3 ARG 51 -8.678 10.912 -9.660 400 HE ARG 51 HE ARG 51 -6.869 13.177 -9.902 401 HH11 ARG 51 HH11 ARG 51 -10.269 12.187 -10.297 402 HH12 ARG 51 HH12 ARG 51 -10.900 13.775 -9.975 403 HH21 ARG 51 HH21 ARG 51 -7.736 15.320 -9.584 404 HH22 ARG 51 HH22 ARG 51 -9.444 15.555 -9.545 405 H LYS 52 H LYS 52 -4.629 6.960 -11.123 406 HA LYS 52 HA LYS 52 -2.231 8.356 -11.241 407 HB2 LYS 52 HB2 LYS 52 -1.117 6.212 -11.487 408 HB3 LYS 52 HB3 LYS 52 -2.394 6.190 -10.273 409 HG2 LYS 52 HG2 LYS 52 -3.907 5.035 -11.886 410 HG3 LYS 52 HG3 LYS 52 -2.581 4.979 -13.055 411 HD2 LYS 52 HD2 LYS 52 -1.210 3.688 -11.457 412 HD3 LYS 52 HD3 LYS 52 -2.485 3.748 -10.247 413 HE2 LYS 52 HE2 LYS 52 -2.863 2.514 -13.011 414 HE3 LYS 52 HE3 LYS 52 -2.258 1.600 -11.625 415 HZ1 LYS 52 HZ1 LYS 52 -4.275 1.901 -10.491 416 HZ2 LYS 52 HZ2 LYS 52 -4.687 1.438 -12.026 417 HZ3 LYS 52 HZ3 LYS 52 -4.860 2.983 -11.573 418 H THR 53 H THR 53 -4.117 7.346 -14.069 419 HA THR 53 HA THR 53 -1.931 7.548 -15.901 420 HB THR 53 HB THR 53 -4.700 8.214 -16.843 421 HG1 THR 53 HG1 THR 53 -5.329 6.754 -15.404 422 HG21 THR 53 HG21 THR 53 -2.747 6.041 -17.680 423 HG22 THR 53 HG22 THR 53 -2.717 7.685 -18.328 424 HG23 THR 53 HG23 THR 53 -4.132 6.664 -18.608 425 H ASN 54 H ASN 54 -4.308 9.878 -14.623 426 HA ASN 54 HA ASN 54 -3.248 12.112 -16.226 427 HB2 ASN 54 HB2 ASN 54 -5.597 11.893 -14.309 428 HB3 ASN 54 HB3 ASN 54 -5.222 13.286 -15.317 429 HD21 ASN 54 HD21 ASN 54 -5.980 13.317 -17.479 430 HD22 ASN 54 HD22 ASN 54 -6.906 11.985 -18.141 431 H GLY 55 H GLY 55 -2.642 10.792 -13.109 432 HA2 GLY 55 HA2 GLY 55 -0.896 12.759 -12.238 433 HA3 GLY 55 HA3 GLY 55 -2.463 13.137 -11.478 434 H GLY 56 H GLY 56 -3.196 11.778 -9.752 435 HA2 GLY 56 HA2 GLY 56 -2.757 9.076 -9.347 436 HA3 GLY 56 HA3 GLY 56 -1.300 9.867 -8.707 437 H CYS 57 H CYS 57 -4.350 8.780 -7.882 438 HA CYS 57 HA CYS 57 -5.061 10.954 -6.074 439 HB2 CYS 57 HB2 CYS 57 -7.042 10.041 -5.864 440 HB3 CYS 57 HB3 CYS 57 -6.613 9.141 -7.307 441 HA PRO 58 HA PRO 58 -2.585 9.696 -2.637 442 HB2 PRO 58 HB2 PRO 58 -4.187 9.852 -0.424 443 HB3 PRO 58 HB3 PRO 58 -3.772 11.306 -1.376 444 HG2 PRO 58 HG2 PRO 58 -6.246 9.558 -1.658 445 HG3 PRO 58 HG3 PRO 58 -6.198 11.330 -1.380 446 HD2 PRO 58 HD2 PRO 58 -6.477 10.376 -3.844 447 HD3 PRO 58 HD3 PRO 58 -5.328 11.715 -3.589 448 H ILE 59 H ILE 59 -5.382 7.546 -3.192 449 HA ILE 59 HA ILE 59 -4.271 5.669 -1.226 450 HB ILE 59 HB ILE 59 -6.381 5.293 -3.365 451 HG12 ILE 59 HG12 ILE 59 -6.675 5.489 -0.339 452 HG13 ILE 59 HG13 ILE 59 -6.954 6.842 -1.448 453 HG21 ILE 59 HG21 ILE 59 -6.897 3.131 -2.199 454 HG22 ILE 59 HG22 ILE 59 -5.259 3.109 -2.851 455 HG23 ILE 59 HG23 ILE 59 -5.510 3.398 -1.120 456 HD11 ILE 59 HD11 ILE 59 -9.072 5.921 -0.923 457 HD12 ILE 59 HD12 ILE 59 -8.704 5.445 -2.594 458 HD13 ILE 59 HD13 ILE 59 -8.558 4.268 -1.277 459 H CYS 60 H CYS 60 -4.478 5.730 -4.839 460 HA CYS 60 HA CYS 60 -2.861 3.355 -5.119 461 HB2 CYS 60 HB2 CYS 60 -2.593 4.288 -7.518 462 HB3 CYS 60 HB3 CYS 60 -4.164 3.722 -6.982 463 H LYS 61 H LYS 61 -2.118 6.826 -5.186 464 HA LYS 61 HA LYS 61 0.588 6.593 -5.921 465 HB2 LYS 61 HB2 LYS 61 -0.843 8.654 -5.805 466 HB3 LYS 61 HB3 LYS 61 -0.561 8.719 -4.053 467 HG2 LYS 61 HG2 LYS 61 1.861 8.952 -4.509 468 HG3 LYS 61 HG3 LYS 61 1.538 8.734 -6.238 469 HD2 LYS 61 HD2 LYS 61 0.225 10.819 -6.305 470 HD3 LYS 61 HD3 LYS 61 0.467 11.010 -4.560 471 HE2 LYS 61 HE2 LYS 61 2.128 12.369 -5.493 472 HE3 LYS 61 HE3 LYS 61 2.948 10.921 -4.946 473 HZ1 LYS 61 HZ1 LYS 61 2.283 11.663 -7.732 474 HZ2 LYS 61 HZ2 LYS 61 2.857 10.155 -7.339 475 HZ3 LYS 61 HZ3 LYS 61 3.773 11.506 -7.072 476 H GLN 62 H GLN 62 -0.805 6.437 -2.600 477 HA GLN 62 HA GLN 62 1.873 6.153 -1.439 478 HB2 GLN 62 HB2 GLN 62 0.833 5.927 0.689 479 HB3 GLN 62 HB3 GLN 62 0.192 7.295 -0.188 480 HG2 GLN 62 HG2 GLN 62 -1.747 6.393 0.688 481 HG3 GLN 62 HG3 GLN 62 -1.707 5.730 -0.919 482 HE21 GLN 62 HE21 GLN 62 -2.626 3.715 -0.831 483 HE22 GLN 62 HE22 GLN 62 -2.230 2.493 0.358 484 H LEU 63 H LEU 63 -0.519 3.849 -2.679 485 HA LEU 63 HA LEU 63 0.460 1.583 -1.311 486 HB2 LEU 63 HB2 LEU 63 -0.895 2.039 -3.961 487 HB3 LEU 63 HB3 LEU 63 -0.113 0.485 -3.708 488 HG LEU 63 HG LEU 63 -2.289 1.596 -1.919 489 HD11 LEU 63 HD11 LEU 63 -3.050 1.153 -4.233 490 HD12 LEU 63 HD12 LEU 63 -3.717 -0.036 -3.114 491 HD13 LEU 63 HD13 LEU 63 -2.355 -0.483 -4.152 492 HD21 LEU 63 HD21 LEU 63 -2.395 -0.787 -1.138 493 HD22 LEU 63 HD22 LEU 63 -0.854 -0.030 -0.733 494 HD23 LEU 63 HD23 LEU 63 -0.948 -1.150 -2.104 495 H ILE 64 H ILE 64 1.820 3.365 -4.023 496 HA ILE 64 HA ILE 64 3.751 1.518 -4.951 497 HB ILE 64 HB ILE 64 3.905 4.560 -4.781 498 HG12 ILE 64 HG12 ILE 64 1.819 3.761 -5.942 499 HG13 ILE 64 HG13 ILE 64 2.851 4.808 -6.874 500 HG21 ILE 64 HG21 ILE 64 5.426 2.677 -6.610 501 HG22 ILE 64 HG22 ILE 64 5.349 4.442 -6.795 502 HG23 ILE 64 HG23 ILE 64 6.091 3.744 -5.357 503 HD11 ILE 64 HD11 ILE 64 3.653 3.073 -8.230 504 HD12 ILE 64 HD12 ILE 64 2.932 1.809 -7.206 505 HD13 ILE 64 HD13 ILE 64 1.887 2.911 -8.143 506 H ALA 65 H ALA 65 3.840 3.936 -2.354 507 HA ALA 65 HA ALA 65 6.597 3.826 -1.718 508 HB1 ALA 65 HB1 ALA 65 4.231 4.513 0.088 509 HB2 ALA 65 HB2 ALA 65 5.907 4.972 0.343 510 HB3 ALA 65 HB3 ALA 65 5.011 5.644 -1.042 511 H LEU 66 H LEU 66 3.785 1.992 -0.553 512 HA LEU 66 HA LEU 66 5.291 0.438 1.431 513 HB2 LEU 66 HB2 LEU 66 2.488 0.000 0.283 514 HB3 LEU 66 HB3 LEU 66 3.210 -0.815 1.667 515 HG LEU 66 HG LEU 66 2.290 2.060 1.518 516 HD11 LEU 66 HD11 LEU 66 1.701 -0.366 3.279 517 HD12 LEU 66 HD12 LEU 66 0.619 0.419 2.103 518 HD13 LEU 66 HD13 LEU 66 1.085 1.247 3.606 519 HD21 LEU 66 HD21 LEU 66 4.401 2.295 2.595 520 HD22 LEU 66 HD22 LEU 66 4.211 0.767 3.461 521 HD23 LEU 66 HD23 LEU 66 3.246 2.171 3.920 522 H ALA 67 H ALA 67 4.044 -0.119 -1.870 523 HA ALA 67 HA ALA 67 4.608 -2.835 -2.073 524 HB1 ALA 67 HB1 ALA 67 3.355 -1.550 -3.745 525 HB2 ALA 67 HB2 ALA 67 4.836 -0.703 -4.248 526 HB3 ALA 67 HB3 ALA 67 4.687 -2.457 -4.505 527 H ALA 68 H ALA 68 6.752 -0.068 -2.934 528 HA ALA 68 HA ALA 68 9.033 -1.644 -3.607 529 HB1 ALA 68 HB1 ALA 68 8.944 1.199 -2.518 530 HB2 ALA 68 HB2 ALA 68 10.275 0.450 -3.430 531 HB3 ALA 68 HB3 ALA 68 8.720 0.749 -4.227 532 H TYR 69 H TYR 69 7.852 -0.491 -0.466 533 HA TYR 69 HA TYR 69 10.313 -1.018 0.985 534 HB2 TYR 69 HB2 TYR 69 8.829 0.565 1.937 535 HB3 TYR 69 HB3 TYR 69 7.441 -0.499 1.789 536 HD1 TYR 69 HD1 TYR 69 10.165 0.519 3.986 537 HD2 TYR 69 HD2 TYR 69 7.212 -2.506 3.189 538 HE1 TYR 69 HE1 TYR 69 10.526 -0.424 6.248 539 HE2 TYR 69 HE2 TYR 69 7.587 -3.506 5.418 540 HH TYR 69 HH TYR 69 9.195 -3.617 7.174 541 H HIS 70 H HIS 70 7.229 -2.837 0.595 542 HA HIS 70 HA HIS 70 8.124 -5.121 2.012 543 HB2 HIS 70 HB2 HIS 70 5.883 -5.015 1.993 544 HB3 HIS 70 HB3 HIS 70 5.781 -4.275 0.406 545 HD1 HIS 70 HD1 HIS 70 5.169 -7.602 2.059 546 HD2 HIS 70 HD2 HIS 70 5.891 -5.925 -1.754 547 HE1 HIS 70 HE1 HIS 70 4.316 -9.254 0.328 548 H ALA 71 H ALA 71 8.199 -4.340 -1.532 549 HA ALA 71 HA ALA 71 9.035 -6.832 -2.418 550 HB1 ALA 71 HB1 ALA 71 9.922 -4.120 -3.468 551 HB2 ALA 71 HB2 ALA 71 9.945 -5.663 -4.351 552 HB3 ALA 71 HB3 ALA 71 8.393 -4.945 -3.874 553 H LYS 72 H LYS 72 10.976 -4.497 -0.627 554 HA LYS 72 HA LYS 72 13.530 -5.547 -1.495 555 HB2 LYS 72 HB2 LYS 72 14.526 -4.091 -0.083 556 HB3 LYS 72 HB3 LYS 72 12.958 -3.298 -0.228 557 HG2 LYS 72 HG2 LYS 72 12.339 -4.485 1.995 558 HG3 LYS 72 HG3 LYS 72 14.003 -5.031 2.040 559 HD2 LYS 72 HD2 LYS 72 13.947 -3.155 3.464 560 HD3 LYS 72 HD3 LYS 72 14.775 -2.653 1.975 561 HE2 LYS 72 HE2 LYS 72 12.393 -1.940 1.192 562 HE3 LYS 72 HE3 LYS 72 11.932 -2.039 2.889 563 HZ1 LYS 72 HZ1 LYS 72 14.314 -0.477 2.134 564 HZ2 LYS 72 HZ2 LYS 72 13.255 -0.219 3.374 565 HZ3 LYS 72 HZ3 LYS 72 12.828 0.119 1.804 566 H HIS 73 H HIS 73 11.087 -6.812 0.623 567 HA HIS 73 HA HIS 73 13.007 -8.859 1.662 568 HB2 HIS 73 HB2 HIS 73 10.438 -7.899 2.953 569 HB3 HIS 73 HB3 HIS 73 11.577 -9.080 3.599 570 HD1 HIS 73 HD1 HIS 73 10.661 -5.923 4.581 571 HD2 HIS 73 HD2 HIS 73 14.330 -7.593 3.418 572 HE1 HIS 73 HE1 HIS 73 12.478 -4.405 5.563 573 H CYS 74 H CYS 74 9.893 -8.199 0.135 574 HA CYS 74 HA CYS 74 8.988 -10.993 0.059 575 HB2 CYS 74 HB2 CYS 74 7.482 -8.915 0.323 576 HB3 CYS 74 HB3 CYS 74 7.918 -8.496 -1.330 577 H GLN 75 H GLN 75 10.199 -12.181 -1.330 578 HA GLN 75 HA GLN 75 10.582 -11.228 -4.070 579 HB2 GLN 75 HB2 GLN 75 13.053 -11.994 -3.947 580 HB3 GLN 75 HB3 GLN 75 12.604 -10.365 -3.460 581 HG2 GLN 75 HG2 GLN 75 12.820 -10.823 -1.137 582 HG3 GLN 75 HG3 GLN 75 12.913 -12.576 -1.412 583 HE21 GLN 75 HE21 GLN 75 14.758 -13.416 -2.564 584 HE22 GLN 75 HE22 GLN 75 16.282 -12.543 -2.560 585 H GLU 76 H GLU 76 9.085 -12.715 -4.501 586 HA GLU 76 HA GLU 76 9.986 -15.509 -4.554 587 HB2 GLU 76 HB2 GLU 76 7.493 -16.051 -4.133 588 HB3 GLU 76 HB3 GLU 76 8.551 -15.671 -2.776 589 HG2 GLU 76 HG2 GLU 76 7.608 -13.301 -2.785 590 HG3 GLU 76 HG3 GLU 76 6.438 -13.852 -3.969 591 H ASN 77 H ASN 77 8.637 -16.682 -6.298 592 HA ASN 77 HA ASN 77 8.781 -15.038 -8.704 593 HB2 ASN 77 HB2 ASN 77 7.995 -17.088 -9.879 594 HB3 ASN 77 HB3 ASN 77 9.454 -17.321 -8.923 595 HD21 ASN 77 HD21 ASN 77 9.452 -18.813 -7.169 596 HD22 ASN 77 HD22 ASN 77 7.959 -19.517 -6.572 597 H LYS 78 H LYS 78 6.289 -15.642 -6.381 598 HA LYS 78 HA LYS 78 4.309 -14.308 -8.178 599 HB2 LYS 78 HB2 LYS 78 3.892 -16.812 -6.572 600 HB3 LYS 78 HB3 LYS 78 2.575 -15.735 -7.072 601 HG2 LYS 78 HG2 LYS 78 3.338 -15.899 -9.450 602 HG3 LYS 78 HG3 LYS 78 4.534 -17.114 -8.956 603 HD2 LYS 78 HD2 LYS 78 2.711 -18.472 -7.992 604 HD3 LYS 78 HD3 LYS 78 1.543 -17.239 -8.548 605 HE2 LYS 78 HE2 LYS 78 2.226 -17.678 -10.896 606 HE3 LYS 78 HE3 LYS 78 3.404 -18.871 -10.330 607 HZ1 LYS 78 HZ1 LYS 78 0.468 -19.041 -10.030 608 HZ2 LYS 78 HZ2 LYS 78 1.520 -20.110 -9.357 609 HZ3 LYS 78 HZ3 LYS 78 1.434 -19.998 -10.984 610 H CYS 79 H CYS 79 5.496 -12.545 -6.902 611 HA CYS 79 HA CYS 79 5.212 -12.013 -4.229 612 HB2 CYS 79 HB2 CYS 79 5.689 -10.494 -6.649 613 HB3 CYS 79 HB3 CYS 79 4.644 -9.575 -5.602 614 HA PRO 80 HA PRO 80 0.763 -12.124 -3.780 615 HB2 PRO 80 HB2 PRO 80 0.455 -11.187 -1.218 616 HB3 PRO 80 HB3 PRO 80 1.110 -12.806 -1.621 617 HG2 PRO 80 HG2 PRO 80 2.658 -10.281 -0.971 618 HG3 PRO 80 HG3 PRO 80 2.921 -11.936 -0.336 619 HD2 PRO 80 HD2 PRO 80 4.351 -10.903 -2.420 620 HD3 PRO 80 HD3 PRO 80 3.954 -12.649 -2.319 621 H VAL 81 H VAL 81 2.323 -8.965 -2.777 622 HA VAL 81 HA VAL 81 -0.180 -7.587 -3.094 623 HB VAL 81 HB VAL 81 2.668 -6.578 -2.683 624 HG11 VAL 81 HG11 VAL 81 1.685 -4.382 -2.203 625 HG12 VAL 81 HG12 VAL 81 1.428 -4.821 -3.885 626 HG13 VAL 81 HG13 VAL 81 0.090 -4.950 -2.721 627 HG21 VAL 81 HG21 VAL 81 1.643 -7.779 -0.811 628 HG22 VAL 81 HG22 VAL 81 1.822 -6.059 -0.455 629 HG23 VAL 81 HG23 VAL 81 0.224 -6.709 -0.881 630 HA PRO 82 HA PRO 82 0.034 -7.678 -7.517 631 HB2 PRO 82 HB2 PRO 82 -1.753 -5.674 -8.189 632 HB3 PRO 82 HB3 PRO 82 -2.214 -7.308 -7.625 633 HG2 PRO 82 HG2 PRO 82 -1.977 -4.749 -6.004 634 HG3 PRO 82 HG3 PRO 82 -3.310 -5.949 -6.007 635 HD2 PRO 82 HD2 PRO 82 -1.384 -5.983 -4.101 636 HD3 PRO 82 HD3 PRO 82 -2.019 -7.520 -4.780 637 H PHE 83 H PHE 83 0.915 -4.861 -5.682 638 HA PHE 83 HA PHE 83 1.889 -3.354 -8.032 639 HB2 PHE 83 HB2 PHE 83 1.851 -2.830 -5.040 640 HB3 PHE 83 HB3 PHE 83 2.876 -1.916 -6.139 641 HD1 PHE 83 HD1 PHE 83 -0.698 -2.975 -6.847 642 HD2 PHE 83 HD2 PHE 83 2.032 0.216 -5.885 643 HE1 PHE 83 HE1 PHE 83 -2.499 -1.344 -7.132 644 HE2 PHE 83 HE2 PHE 83 0.217 1.862 -6.224 645 HZ PHE 83 HZ PHE 83 -2.071 1.082 -6.760 646 H CYS 84 H CYS 84 3.256 -5.201 -5.172 647 HA CYS 84 HA CYS 84 5.942 -4.645 -5.940 648 HB2 CYS 84 HB2 CYS 84 6.551 -6.167 -4.225 649 HB3 CYS 84 HB3 CYS 84 5.149 -5.210 -3.678 650 H LEU 85 H LEU 85 3.624 -7.110 -6.747 651 HA LEU 85 HA LEU 85 5.283 -8.962 -8.040 652 HB2 LEU 85 HB2 LEU 85 2.846 -9.218 -7.532 653 HB3 LEU 85 HB3 LEU 85 2.473 -8.059 -8.806 654 HG LEU 85 HG LEU 85 3.541 -9.653 -10.480 655 HD11 LEU 85 HD11 LEU 85 4.913 -10.996 -8.815 656 HD12 LEU 85 HD12 LEU 85 3.858 -12.002 -9.836 657 HD13 LEU 85 HD13 LEU 85 3.397 -11.636 -8.177 658 HD21 LEU 85 HD21 LEU 85 1.111 -9.558 -10.214 659 HD22 LEU 85 HD22 LEU 85 1.186 -10.697 -8.854 660 HD23 LEU 85 HD23 LEU 85 1.623 -11.220 -10.494 661 H ASN 86 H ASN 86 4.153 -5.800 -9.109 662 HA ASN 86 HA ASN 86 5.052 -6.074 -11.877 663 HB2 ASN 86 HB2 ASN 86 4.480 -3.518 -10.318 664 HB3 ASN 86 HB3 ASN 86 4.669 -3.656 -12.054 665 HD21 ASN 86 HD21 ASN 86 2.355 -2.709 -10.402 666 HD22 ASN 86 HD22 ASN 86 1.020 -3.753 -10.860 667 H ILE 87 H ILE 87 6.432 -4.964 -8.819 668 HA ILE 87 HA ILE 87 8.681 -3.532 -9.860 669 HB ILE 87 HB ILE 87 8.118 -4.752 -7.124 670 HG12 ILE 87 HG12 ILE 87 8.192 -1.873 -8.143 671 HG13 ILE 87 HG13 ILE 87 6.724 -2.812 -7.916 672 HG21 ILE 87 HG21 ILE 87 10.517 -4.772 -7.417 673 HG22 ILE 87 HG22 ILE 87 10.508 -3.060 -7.893 674 HG23 ILE 87 HG23 ILE 87 10.050 -3.557 -6.241 675 HD11 ILE 87 HD11 ILE 87 7.310 -3.035 -5.463 676 HD12 ILE 87 HD12 ILE 87 8.606 -1.860 -5.756 677 HD13 ILE 87 HD13 ILE 87 6.923 -1.399 -6.027 678 H LYS 88 H LYS 88 8.084 -6.974 -8.997 679 HA LYS 88 HA LYS 88 10.759 -7.848 -9.491 680 HB2 LYS 88 HB2 LYS 88 8.227 -9.494 -9.993 681 HB3 LYS 88 HB3 LYS 88 9.843 -10.085 -9.627 682 HG2 LYS 88 HG2 LYS 88 7.846 -8.793 -7.754 683 HG3 LYS 88 HG3 LYS 88 8.682 -10.337 -7.605 684 HD2 LYS 88 HD2 LYS 88 10.853 -8.992 -7.496 685 HD3 LYS 88 HD3 LYS 88 9.850 -7.544 -7.340 686 HE2 LYS 88 HE2 LYS 88 8.897 -8.337 -5.247 687 HE3 LYS 88 HE3 LYS 88 9.643 -9.914 -5.455 688 HZ1 LYS 88 HZ1 LYS 88 11.202 -7.422 -5.060 689 HZ2 LYS 88 HZ2 LYS 88 11.798 -8.948 -5.216 690 HZ3 LYS 88 HZ3 LYS 88 10.879 -8.562 -3.916 691 H GLN 89 H GLN 89 8.188 -7.312 -11.527 692 HA GLN 89 HA GLN 89 9.293 -8.513 -13.977 693 HB2 GLN 89 HB2 GLN 89 7.077 -6.425 -13.769 694 HB3 GLN 89 HB3 GLN 89 7.495 -7.347 -15.203 695 HG2 GLN 89 HG2 GLN 89 6.567 -8.651 -12.633 696 HG3 GLN 89 HG3 GLN 89 5.470 -8.140 -13.908 697 HE21 GLN 89 HE21 GLN 89 5.185 -9.510 -15.675 698 HE22 GLN 89 HE22 GLN 89 6.074 -11.000 -15.905 699 H LYS 90 H LYS 90 8.870 -5.065 -12.983 700 HA LYS 90 HA LYS 90 10.452 -4.132 -15.214 701 HB2 LYS 90 HB2 LYS 90 10.189 -1.938 -14.377 702 HB3 LYS 90 HB3 LYS 90 8.666 -2.823 -14.289 703 HG2 LYS 90 HG2 LYS 90 9.533 -3.318 -11.794 704 HG3 LYS 90 HG3 LYS 90 10.467 -1.847 -12.059 705 HD2 LYS 90 HD2 LYS 90 7.473 -2.150 -12.461 706 HD3 LYS 90 HD3 LYS 90 8.231 -1.493 -10.991 707 HE2 LYS 90 HE2 LYS 90 9.287 0.298 -12.391 708 HE3 LYS 90 HE3 LYS 90 8.393 -0.300 -13.801 709 HZ1 LYS 90 HZ1 LYS 90 7.325 1.569 -12.630 710 HZ2 LYS 90 HZ2 LYS 90 7.163 0.642 -11.290 711 HZ3 LYS 90 HZ3 LYS 90 6.344 0.218 -12.651 712 H GLY 91 H GLY 91 11.346 -5.250 -12.024 713 HA2 GLY 91 HA2 GLY 91 13.429 -5.604 -11.151 714 HA3 GLY 91 HA3 GLY 91 14.164 -4.974 -12.643 715 H THR 92 H THR 92 15.412 -3.279 -12.034 716 HA THR 92 HA THR 92 16.171 -1.454 -11.021 717 HB THR 92 HB THR 92 14.955 -0.461 -12.750 718 HG1 THR 92 HG1 THR 92 15.081 0.803 -10.315 719 HG21 THR 92 HG21 THR 92 12.524 -0.311 -10.942 720 HG22 THR 92 HG22 THR 92 12.691 -1.224 -12.463 721 HG23 THR 92 HG23 THR 92 12.705 0.518 -12.510 722 H ILE 93 H ILE 93 15.165 -3.440 -9.172 723 HA ILE 93 HA ILE 93 13.785 -2.279 -6.983 724 HB ILE 93 HB ILE 93 15.700 -4.649 -7.159 725 HG12 ILE 93 HG12 ILE 93 12.662 -4.591 -6.992 726 HG13 ILE 93 HG13 ILE 93 13.533 -4.739 -8.512 727 HG21 ILE 93 HG21 ILE 93 13.794 -3.938 -4.878 728 HG22 ILE 93 HG22 ILE 93 14.764 -5.418 -5.005 729 HG23 ILE 93 HG23 ILE 93 15.572 -3.885 -4.807 730 HD11 ILE 93 HD11 ILE 93 13.514 -6.779 -6.263 731 HD12 ILE 93 HD12 ILE 93 12.824 -6.925 -7.885 732 HD13 ILE 93 HD13 ILE 93 14.586 -6.856 -7.684 733 H GLU 94 H GLU 94 17.235 -2.755 -7.689 734 HA GLU 94 HA GLU 94 18.217 -1.465 -5.310 735 HB2 GLU 94 HB2 GLU 94 19.341 -3.324 -6.313 736 HB3 GLU 94 HB3 GLU 94 19.399 -2.544 -7.876 737 HG2 GLU 94 HG2 GLU 94 20.924 -1.476 -5.485 738 HG3 GLU 94 HG3 GLU 94 21.568 -2.714 -6.560 739 H GLY 95 H GLY 95 18.315 0.707 -5.007 740 HA2 GLY 95 HA2 GLY 95 19.343 2.780 -5.705 741 HA3 GLY 95 HA3 GLY 95 18.622 2.564 -7.305 742 H ARG 96 H ARG 96 16.405 2.662 -7.498 743 HA ARG 96 HA ARG 96 15.046 4.566 -5.708 744 HB2 ARG 96 HB2 ARG 96 14.117 3.208 -8.265 745 HB3 ARG 96 HB3 ARG 96 13.165 4.404 -7.370 746 HG2 ARG 96 HG2 ARG 96 14.912 6.101 -7.665 747 HG3 ARG 96 HG3 ARG 96 15.933 4.941 -8.519 748 HD2 ARG 96 HD2 ARG 96 13.245 5.977 -9.438 749 HD3 ARG 96 HD3 ARG 96 14.823 6.438 -10.083 750 HE ARG 96 HE ARG 96 15.037 3.885 -10.562 751 HH11 ARG 96 HH11 ARG 96 12.312 6.040 -11.281 752 HH12 ARG 96 HH12 ARG 96 11.441 4.917 -12.238 753 HH21 ARG 96 HH21 ARG 96 13.982 2.410 -12.018 754 HH22 ARG 96 HH22 ARG 96 12.419 2.815 -12.667 755 H GLY 97 H GLY 97 15.380 2.924 -3.956 756 HA2 GLY 97 HA2 GLY 97 13.332 0.778 -3.832 757 HA3 GLY 97 HA3 GLY 97 14.717 0.988 -2.763 758 H ASN 98 H ASN 98 14.506 2.181 -0.925 759 HA ASN 98 HA ASN 98 11.933 2.504 0.230 760 HB2 ASN 98 HB2 ASN 98 13.116 3.207 2.172 761 HB3 ASN 98 HB3 ASN 98 14.179 2.032 1.394 762 HD21 ASN 98 HD21 ASN 98 14.602 4.710 3.174 763 HD22 ASN 98 HD22 ASN 98 15.918 5.402 2.282 764 H GLU 99 H GLU 99 13.449 4.503 -1.897 765 HA GLU 99 HA GLU 99 13.207 7.134 -1.125 766 HB2 GLU 99 HB2 GLU 99 12.976 5.878 -3.895 767 HB3 GLU 99 HB3 GLU 99 13.375 7.558 -3.513 768 HG2 GLU 99 HG2 GLU 99 15.266 6.362 -2.013 769 HG3 GLU 99 HG3 GLU 99 15.036 5.086 -3.217 770 H PHE 100 H PHE 100 10.937 6.771 0.011 771 HA PHE 100 HA PHE 100 9.100 8.253 -1.719 772 HB2 PHE 100 HB2 PHE 100 8.747 5.573 -1.802 773 HB3 PHE 100 HB3 PHE 100 7.740 5.937 -0.413 774 HD1 PHE 100 HD1 PHE 100 7.609 5.502 -3.857 775 HD2 PHE 100 HD2 PHE 100 6.407 8.416 -0.888 776 HE1 PHE 100 HE1 PHE 100 6.268 6.654 -5.532 777 HE2 PHE 100 HE2 PHE 100 5.116 9.597 -2.580 778 HZ PHE 100 HZ PHE 100 5.062 8.805 -4.922 779 H LEU 101 H LEU 101 9.149 10.026 -0.474 780 HA LEU 101 HA LEU 101 8.489 9.809 2.427 781 HB2 LEU 101 HB2 LEU 101 9.472 12.148 0.740 782 HB3 LEU 101 HB3 LEU 101 9.062 12.225 2.452 783 HG LEU 101 HG LEU 101 11.295 10.557 1.212 784 HD11 LEU 101 HD11 LEU 101 11.409 12.947 3.091 785 HD12 LEU 101 HD12 LEU 101 11.707 12.993 1.337 786 HD13 LEU 101 HD13 LEU 101 12.792 12.070 2.394 787 HD21 LEU 101 HD21 LEU 101 10.319 10.733 4.087 788 HD22 LEU 101 HD22 LEU 101 11.954 10.180 3.646 789 HD23 LEU 101 HD23 LEU 101 10.542 9.272 3.090 790 H SER 102 H SER 102 6.335 9.331 2.427 791 HA SER 102 HA SER 102 4.457 10.696 0.660 792 HB2 SER 102 HB2 SER 102 2.927 9.120 2.200 793 HB3 SER 102 HB3 SER 102 3.846 8.500 0.818 794 HG SER 102 HG SER 102 4.168 7.184 2.631 795 HA PRO 103 HA PRO 103 3.435 13.700 3.792 796 HB2 PRO 103 HB2 PRO 103 0.939 14.498 3.048 797 HB3 PRO 103 HB3 PRO 103 2.371 14.799 2.012 798 HG2 PRO 103 HG2 PRO 103 0.393 12.515 1.792 799 HG3 PRO 103 HG3 PRO 103 0.945 13.631 0.496 800 HD2 PRO 103 HD2 PRO 103 2.061 11.167 0.909 801 HD3 PRO 103 HD3 PRO 103 3.045 12.564 0.367 802 H GLU 104 H GLU 104 1.529 14.139 5.455 803 HA GLU 104 HA GLU 104 1.146 11.770 6.994 804 HB2 GLU 104 HB2 GLU 104 -0.384 14.364 7.265 805 HB3 GLU 104 HB3 GLU 104 -0.215 13.079 8.475 806 HG2 GLU 104 HG2 GLU 104 2.408 13.504 7.976 807 HG3 GLU 104 HG3 GLU 104 1.814 15.107 7.544 808 H VAL 105 H VAL 105 -0.644 12.887 4.328 809 HA VAL 105 HA VAL 105 -3.173 11.852 4.747 810 HB VAL 105 HB VAL 105 -1.661 11.734 2.117 811 HG11 VAL 105 HG11 VAL 105 -4.633 12.003 2.725 812 HG12 VAL 105 HG12 VAL 105 -3.911 12.150 1.114 813 HG13 VAL 105 HG13 VAL 105 -3.837 10.614 1.977 814 HG21 VAL 105 HG21 VAL 105 -3.208 14.074 3.329 815 HG22 VAL 105 HG22 VAL 105 -1.446 14.021 3.054 816 HG23 VAL 105 HG23 VAL 105 -2.541 13.984 1.679 817 H PHE 106 H PHE 106 -0.144 10.142 4.339 818 HA PHE 106 HA PHE 106 -0.926 7.609 3.424 819 HB2 PHE 106 HB2 PHE 106 1.403 8.203 3.837 820 HB3 PHE 106 HB3 PHE 106 1.084 8.506 5.543 821 HD1 PHE 106 HD1 PHE 106 0.774 5.751 3.007 822 HD2 PHE 106 HD2 PHE 106 1.508 6.769 7.134 823 HE1 PHE 106 HE1 PHE 106 1.328 3.429 3.470 824 HE2 PHE 106 HE2 PHE 106 2.020 4.397 7.627 825 HZ PHE 106 HZ PHE 106 1.985 2.710 5.793 826 H GLN 107 H GLN 107 -1.070 8.964 6.757 827 HA GLN 107 HA GLN 107 -2.152 6.557 7.918 828 HB2 GLN 107 HB2 GLN 107 -2.034 9.410 8.969 829 HB3 GLN 107 HB3 GLN 107 -2.475 7.974 9.906 830 HG2 GLN 107 HG2 GLN 107 -0.225 6.974 9.381 831 HG3 GLN 107 HG3 GLN 107 0.222 8.457 8.546 832 HE21 GLN 107 HE21 GLN 107 1.689 9.587 9.840 833 HE22 GLN 107 HE22 GLN 107 1.591 9.587 11.604 834 H HIS 108 H HIS 108 -3.574 9.394 6.347 835 HA HIS 108 HA HIS 108 -6.196 9.123 7.372 836 HB2 HIS 108 HB2 HIS 108 -5.482 10.075 4.572 837 HB3 HIS 108 HB3 HIS 108 -6.946 10.381 5.459 838 HD1 HIS 108 HD1 HIS 108 -6.080 12.969 4.593 839 HD2 HIS 108 HD2 HIS 108 -4.004 11.116 7.796 840 HE1 HIS 108 HE1 HIS 108 -4.859 14.789 5.838 841 H ILE 109 H ILE 109 -4.485 7.316 4.814 842 HA ILE 109 HA ILE 109 -6.838 6.136 3.664 843 HB ILE 109 HB ILE 109 -3.932 5.294 3.564 844 HG12 ILE 109 HG12 ILE 109 -4.349 5.683 1.070 845 HG13 ILE 109 HG13 ILE 109 -5.906 6.393 1.506 846 HG21 ILE 109 HG21 ILE 109 -6.313 3.937 2.223 847 HG22 ILE 109 HG22 ILE 109 -4.594 3.608 1.867 848 HG23 ILE 109 HG23 ILE 109 -5.252 3.224 3.452 849 HD11 ILE 109 HD11 ILE 109 -3.223 7.441 2.434 850 HD12 ILE 109 HD12 ILE 109 -4.099 8.016 1.000 851 HD13 ILE 109 HD13 ILE 109 -4.826 8.233 2.595 852 H TRP 110 H TRP 110 -4.624 5.140 6.304 853 HA TRP 110 HA TRP 110 -6.031 2.686 6.784 854 HB2 TRP 110 HB2 TRP 110 -4.202 4.108 8.713 855 HB3 TRP 110 HB3 TRP 110 -4.539 2.370 8.580 856 HD1 TRP 110 HD1 TRP 110 -1.815 4.509 7.943 857 HE1 TRP 110 HE1 TRP 110 -0.378 3.906 5.939 858 HE3 TRP 110 HE3 TRP 110 -4.937 1.171 5.689 859 HZ2 TRP 110 HZ2 TRP 110 -0.725 2.457 3.451 860 HZ3 TRP 110 HZ3 TRP 110 -4.461 0.277 3.485 861 HH2 TRP 110 HH2 TRP 110 -2.257 0.902 2.319 862 H ASP 111 H ASP 111 -6.591 5.960 7.742 863 HA ASP 111 HA ASP 111 -8.229 5.326 10.068 864 HB2 ASP 111 HB2 ASP 111 -7.060 7.490 9.803 865 HB3 ASP 111 HB3 ASP 111 -8.011 7.830 8.349 866 H PHE 112 H PHE 112 -8.988 6.652 6.765 867 HA PHE 112 HA PHE 112 -11.753 6.405 7.136 868 HB2 PHE 112 HB2 PHE 112 -12.060 7.179 5.044 869 HB3 PHE 112 HB3 PHE 112 -10.404 7.677 5.274 870 HD1 PHE 112 HD1 PHE 112 -12.590 5.014 3.742 871 HD2 PHE 112 HD2 PHE 112 -8.735 6.904 3.794 872 HE1 PHE 112 HE1 PHE 112 -11.905 3.616 1.829 873 HE2 PHE 112 HE2 PHE 112 -8.055 5.560 1.794 874 HZ PHE 112 HZ PHE 112 -9.636 3.890 0.831 875 H LEU 113 H LEU 113 -9.510 3.882 6.098 876 HA LEU 113 HA LEU 113 -11.463 2.160 4.943 877 HB2 LEU 113 HB2 LEU 113 -9.859 0.539 4.804 878 HB3 LEU 113 HB3 LEU 113 -8.940 2.011 4.848 879 HG LEU 113 HG LEU 113 -8.638 1.560 7.384 880 HD11 LEU 113 HD11 LEU 113 -10.213 -0.247 7.849 881 HD12 LEU 113 HD12 LEU 113 -8.597 -0.933 7.913 882 HD13 LEU 113 HD13 LEU 113 -9.609 -1.181 6.465 883 HD21 LEU 113 HD21 LEU 113 -6.725 0.148 6.853 884 HD22 LEU 113 HD22 LEU 113 -7.016 1.268 5.494 885 HD23 LEU 113 HD23 LEU 113 -7.533 -0.407 5.362 886 H GLU 114 H GLU 114 -10.901 2.994 8.296 887 HA GLU 114 HA GLU 114 -12.439 0.701 9.306 888 HB2 GLU 114 HB2 GLU 114 -11.267 3.126 10.704 889 HB3 GLU 114 HB3 GLU 114 -12.042 1.738 11.481 890 HG2 GLU 114 HG2 GLU 114 -10.338 0.227 10.516 891 HG3 GLU 114 HG3 GLU 114 -9.527 1.596 9.755 892 H GLN 115 H GLN 115 -12.757 4.209 8.874 893 HA GLN 115 HA GLN 115 -15.302 4.474 10.184 894 HB2 GLN 115 HB2 GLN 115 -13.981 6.229 8.077 895 HB3 GLN 115 HB3 GLN 115 -15.210 6.757 9.219 896 HG2 GLN 115 HG2 GLN 115 -12.358 5.970 9.878 897 HG3 GLN 115 HG3 GLN 115 -13.023 7.568 9.850 898 HE21 GLN 115 HE21 GLN 115 -14.728 8.074 11.552 899 HE22 GLN 115 HE22 GLN 115 -14.523 7.274 13.109 900 HA PRO 116 HA PRO 116 -17.912 3.349 6.691 901 HB2 PRO 116 HB2 PRO 116 -20.218 4.697 7.113 902 HB3 PRO 116 HB3 PRO 116 -19.606 3.525 8.313 903 HG2 PRO 116 HG2 PRO 116 -19.350 6.540 8.363 904 HG3 PRO 116 HG3 PRO 116 -19.801 5.441 9.700 905 HD2 PRO 116 HD2 PRO 116 -17.261 6.431 9.255 906 HD3 PRO 116 HD3 PRO 116 -17.579 4.914 10.129 907 H ILE 117 H ILE 117 -15.991 4.641 5.578 908 HA ILE 117 HA ILE 117 -17.063 6.928 4.006 909 HB ILE 117 HB ILE 117 -14.231 6.451 5.021 910 HG12 ILE 117 HG12 ILE 117 -16.203 8.663 5.735 911 HG13 ILE 117 HG13 ILE 117 -15.798 7.313 6.783 912 HG21 ILE 117 HG21 ILE 117 -15.396 8.718 3.347 913 HG22 ILE 117 HG22 ILE 117 -13.719 8.649 3.937 914 HG23 ILE 117 HG23 ILE 117 -14.267 7.479 2.754 915 HD11 ILE 117 HD11 ILE 117 -13.947 9.568 5.942 916 HD12 ILE 117 HD12 ILE 117 -14.592 9.218 7.544 917 HD13 ILE 117 HD13 ILE 117 -13.412 8.116 6.816 918 H SER 118 H SER 118 -16.999 6.608 1.865 919 HA SER 118 HA SER 118 -15.243 4.502 0.677 920 HB2 SER 118 HB2 SER 118 -18.216 4.852 0.165 921 HB3 SER 118 HB3 SER 118 -17.175 3.612 -0.547 922 HG SER 118 HG SER 118 -18.575 3.172 1.411 923 H SER 119 H SER 119 -16.590 7.705 0.410 924 HA SER 119 HA SER 119 -16.547 7.959 -2.410 925 HB2 SER 119 HB2 SER 119 -16.744 10.456 -1.543 926 HB3 SER 119 HB3 SER 119 -18.077 9.311 -1.475 927 HG SER 119 HG SER 119 -16.353 10.036 0.686 928 H VAL 120 H VAL 120 -14.414 7.284 -2.963 929 HA VAL 120 HA VAL 120 -12.160 9.041 -2.084 930 HB VAL 120 HB VAL 120 -11.988 6.905 -4.247 931 HG11 VAL 120 HG11 VAL 120 -9.891 8.324 -2.521 932 HG12 VAL 120 HG12 VAL 120 -9.559 7.098 -3.757 933 HG13 VAL 120 HG13 VAL 120 -10.205 8.657 -4.236 934 HG21 VAL 120 HG21 VAL 120 -11.068 5.404 -2.598 935 HG22 VAL 120 HG22 VAL 120 -11.301 6.619 -1.306 936 HG23 VAL 120 HG23 VAL 120 -12.697 5.882 -2.116 937 H GLN 121 H GLN 121 -13.372 10.955 -2.788 938 HA GLN 121 HA GLN 121 -12.944 11.553 -5.643 939 HB2 GLN 121 HB2 GLN 121 -15.490 12.102 -4.102 940 HB3 GLN 121 HB3 GLN 121 -15.235 12.581 -5.771 941 HG2 GLN 121 HG2 GLN 121 -15.479 10.349 -6.560 942 HG3 GLN 121 HG3 GLN 121 -15.307 9.643 -4.958 943 HE21 GLN 121 HE21 GLN 121 -17.100 11.494 -3.515 944 HE22 GLN 121 HE22 GLN 121 -18.686 10.915 -3.949 945 HA PRO 122 HA PRO 122 -11.800 14.728 -2.338 946 HB2 PRO 122 HB2 PRO 122 -9.099 14.954 -2.859 947 HB3 PRO 122 HB3 PRO 122 -9.803 13.795 -1.693 948 HG2 PRO 122 HG2 PRO 122 -8.952 13.296 -4.552 949 HG3 PRO 122 HG3 PRO 122 -8.648 12.281 -3.110 950 HD2 PRO 122 HD2 PRO 122 -10.677 11.762 -4.884 951 HD3 PRO 122 HD3 PRO 122 -10.858 11.424 -3.149 952 H ILE 123 H ILE 123 -12.480 16.643 -3.097 953 HA ILE 123 HA ILE 123 -12.189 17.310 -5.947 954 HB ILE 123 HB ILE 123 -13.655 19.176 -5.457 955 HG12 ILE 123 HG12 ILE 123 -13.792 18.264 -2.555 956 HG13 ILE 123 HG13 ILE 123 -12.862 19.652 -3.112 957 HG21 ILE 123 HG21 ILE 123 -14.753 16.630 -4.195 958 HG22 ILE 123 HG22 ILE 123 -15.670 17.883 -5.055 959 HG23 ILE 123 HG23 ILE 123 -14.535 16.863 -5.941 960 HD11 ILE 123 HD11 ILE 123 -15.867 19.342 -3.283 961 HD12 ILE 123 HD12 ILE 123 -14.945 20.497 -2.307 962 HD13 ILE 123 HD13 ILE 123 -14.960 20.652 -4.065 963 H ASP 124 H ASP 124 -10.458 17.927 -3.026 964 HA ASP 124 HA ASP 124 -8.585 19.691 -4.277 965 HB2 ASP 124 HB2 ASP 124 -10.330 21.300 -3.409 966 HB3 ASP 124 HB3 ASP 124 -10.087 20.633 -1.784 Start of MODEL 8 1 H1 ALA 1 H ALA 1 24.457 3.975 14.967 2 HA ALA 1 HA ALA 1 25.255 6.685 15.820 3 HB1 ALA 1 HB1 ALA 1 22.884 5.876 14.099 4 HB2 ALA 1 HB2 ALA 1 23.213 7.509 14.693 5 HB3 ALA 1 HB3 ALA 1 24.331 6.743 13.541 6 H THR 2 H THR 2 23.991 7.646 17.457 7 HA THR 2 HA THR 2 22.887 5.925 19.401 8 HB THR 2 HB THR 2 22.469 8.921 19.248 9 HG1 THR 2 HG1 THR 2 24.562 9.169 20.059 10 HG21 THR 2 HG21 THR 2 22.982 8.817 21.677 11 HG22 THR 2 HG22 THR 2 23.118 7.046 21.540 12 HG23 THR 2 HG23 THR 2 21.564 7.861 21.252 13 H GLN 3 H GLN 3 21.443 7.149 16.534 14 HA GLN 3 HA GLN 3 18.717 6.571 17.521 15 HB2 GLN 3 HB2 GLN 3 19.640 8.835 15.690 16 HB3 GLN 3 HB3 GLN 3 17.958 8.352 15.904 17 HG2 GLN 3 HG2 GLN 3 19.745 9.388 18.155 18 HG3 GLN 3 HG3 GLN 3 18.600 10.358 17.248 19 HE21 GLN 3 HE21 GLN 3 18.875 7.756 19.665 20 HE22 GLN 3 HE22 GLN 3 17.230 7.835 20.207 21 H SER 4 H SER 4 17.698 5.171 16.247 22 HA SER 4 HA SER 4 19.177 3.639 14.303 23 HB2 SER 4 HB2 SER 4 16.922 2.515 14.075 24 HB3 SER 4 HB3 SER 4 17.544 2.590 15.723 25 HG SER 4 HG SER 4 16.119 4.155 16.239 26 HA PRO 5 HA PRO 5 17.821 5.918 10.699 27 HB2 PRO 5 HB2 PRO 5 17.993 4.150 8.660 28 HB3 PRO 5 HB3 PRO 5 19.415 4.583 9.643 29 HG2 PRO 5 HG2 PRO 5 17.663 2.133 9.921 30 HG3 PRO 5 HG3 PRO 5 19.453 2.229 9.905 31 HD2 PRO 5 HD2 PRO 5 17.866 2.146 12.198 32 HD3 PRO 5 HD3 PRO 5 19.507 2.841 12.147 33 H GLY 6 H GLY 6 16.185 3.484 8.952 34 HA2 GLY 6 HA2 GLY 6 13.606 4.623 9.486 35 HA3 GLY 6 HA3 GLY 6 13.994 3.318 8.363 36 H ASP 7 H ASP 7 14.693 3.116 11.874 37 HA ASP 7 HA ASP 7 13.364 0.586 12.118 38 HB2 ASP 7 HB2 ASP 7 15.177 1.396 13.596 39 HB3 ASP 7 HB3 ASP 7 14.044 2.552 14.318 40 H SER 8 H SER 8 12.354 3.898 13.251 41 HA SER 8 HA SER 8 9.833 3.094 14.229 42 HB2 SER 8 HB2 SER 8 9.251 5.503 13.916 43 HB3 SER 8 HB3 SER 8 10.809 5.270 14.729 44 HG SER 8 HG SER 8 10.516 6.835 12.864 45 H ARG 9 H ARG 9 10.911 4.027 11.012 46 HA ARG 9 HA ARG 9 8.319 4.089 9.754 47 HB2 ARG 9 HB2 ARG 9 11.069 3.640 8.504 48 HB3 ARG 9 HB3 ARG 9 9.565 3.936 7.621 49 HG2 ARG 9 HG2 ARG 9 9.335 6.111 8.874 50 HG3 ARG 9 HG3 ARG 9 10.951 5.861 9.537 51 HD2 ARG 9 HD2 ARG 9 10.329 5.959 6.550 52 HD3 ARG 9 HD3 ARG 9 10.761 7.381 7.479 53 HE ARG 9 HE ARG 9 12.467 5.326 6.433 54 HH11 ARG 9 HH11 ARG 9 12.265 7.884 8.938 55 HH12 ARG 9 HH12 ARG 9 13.978 8.049 9.117 56 HH21 ARG 9 HH21 ARG 9 14.808 5.657 6.613 57 HH22 ARG 9 HH22 ARG 9 15.404 6.729 7.798 58 H ARG 10 H ARG 10 10.798 1.448 10.052 59 HA ARG 10 HA ARG 10 9.291 -0.351 8.518 60 HB2 ARG 10 HB2 ARG 10 10.906 -1.878 8.898 61 HB3 ARG 10 HB3 ARG 10 11.787 -0.464 9.396 62 HG2 ARG 10 HG2 ARG 10 11.369 -1.093 11.787 63 HG3 ARG 10 HG3 ARG 10 10.410 -2.473 11.240 64 HD2 ARG 10 HD2 ARG 10 12.532 -3.278 11.837 65 HD3 ARG 10 HD3 ARG 10 12.404 -3.386 10.084 66 HE ARG 10 HE ARG 10 13.735 -1.222 10.024 67 HH11 ARG 10 HH11 ARG 10 14.163 -3.567 12.716 68 HH12 ARG 10 HH12 ARG 10 15.839 -3.230 12.893 69 HH21 ARG 10 HH21 ARG 10 16.046 -0.841 10.315 70 HH22 ARG 10 HH22 ARG 10 16.830 -1.632 11.659 71 H LEU 11 H LEU 11 9.284 -0.196 12.143 72 HA LEU 11 HA LEU 11 7.254 -2.170 12.304 73 HB2 LEU 11 HB2 LEU 11 7.015 -1.605 14.611 74 HB3 LEU 11 HB3 LEU 11 8.699 -1.588 14.147 75 HG LEU 11 HG LEU 11 8.173 1.067 13.839 76 HD11 LEU 11 HD11 LEU 11 5.794 0.886 14.604 77 HD12 LEU 11 HD12 LEU 11 6.784 1.859 15.701 78 HD13 LEU 11 HD13 LEU 11 6.359 0.197 16.135 79 HD21 LEU 11 HD21 LEU 11 9.980 0.130 15.189 80 HD22 LEU 11 HD22 LEU 11 8.821 -0.299 16.470 81 HD23 LEU 11 HD23 LEU 11 9.136 1.408 16.071 82 H SER 12 H SER 12 6.943 1.341 11.921 83 HA SER 12 HA SER 12 4.134 1.518 12.348 84 HB2 SER 12 HB2 SER 12 5.639 3.426 12.408 85 HB3 SER 12 HB3 SER 12 6.126 3.149 10.722 86 HG SER 12 HG SER 12 4.714 4.719 10.596 87 H ILE 13 H ILE 13 6.054 1.219 9.307 88 HA ILE 13 HA ILE 13 3.813 1.107 7.587 89 HB ILE 13 HB ILE 13 6.720 0.269 7.270 90 HG12 ILE 13 HG12 ILE 13 5.176 2.607 6.031 91 HG13 ILE 13 HG13 ILE 13 6.049 2.759 7.545 92 HG21 ILE 13 HG21 ILE 13 6.120 0.280 4.764 93 HG22 ILE 13 HG22 ILE 13 5.564 -1.079 5.737 94 HG23 ILE 13 HG23 ILE 13 4.430 0.216 5.318 95 HD11 ILE 13 HD11 ILE 13 8.166 2.063 6.378 96 HD12 ILE 13 HD12 ILE 13 7.284 2.134 4.834 97 HD13 ILE 13 HD13 ILE 13 7.469 3.591 5.810 98 H GLN 14 H GLN 14 5.688 -1.590 9.141 99 HA GLN 14 HA GLN 14 4.388 -3.729 7.894 100 HB2 GLN 14 HB2 GLN 14 5.447 -3.444 10.716 101 HB3 GLN 14 HB3 GLN 14 4.818 -4.964 10.091 102 HG2 GLN 14 HG2 GLN 14 7.071 -3.434 8.768 103 HG3 GLN 14 HG3 GLN 14 7.308 -4.675 9.986 104 HE21 GLN 14 HE21 GLN 14 8.400 -4.710 7.394 105 HE22 GLN 14 HE22 GLN 14 7.740 -6.054 6.484 106 H ARG 15 H ARG 15 3.196 -1.759 10.665 107 HA ARG 15 HA ARG 15 1.025 -3.379 11.342 108 HB2 ARG 15 HB2 ARG 15 2.034 -1.153 12.410 109 HB3 ARG 15 HB3 ARG 15 0.904 -0.330 11.345 110 HG2 ARG 15 HG2 ARG 15 -0.200 -0.469 13.405 111 HG3 ARG 15 HG3 ARG 15 -0.956 -1.719 12.419 112 HD2 ARG 15 HD2 ARG 15 -0.602 -2.644 14.616 113 HD3 ARG 15 HD3 ARG 15 0.523 -3.424 13.520 114 HE ARG 15 HE ARG 15 2.304 -2.510 14.651 115 HH11 ARG 15 HH11 ARG 15 -0.646 -0.891 15.796 116 HH12 ARG 15 HH12 ARG 15 0.117 -0.067 17.094 117 HH21 ARG 15 HH21 ARG 15 3.330 -1.468 16.298 118 HH22 ARG 15 HH22 ARG 15 2.540 -0.408 17.420 119 H ALA 16 H ALA 16 1.246 -1.045 8.647 120 HA ALA 16 HA ALA 16 -1.627 -1.293 8.019 121 HB1 ALA 16 HB1 ALA 16 -0.515 0.812 7.482 122 HB2 ALA 16 HB2 ALA 16 0.705 -0.036 6.497 123 HB3 ALA 16 HB3 ALA 16 -0.997 -0.007 5.986 124 H ILE 17 H ILE 17 1.507 -2.411 6.776 125 HA ILE 17 HA ILE 17 0.610 -3.823 4.529 126 HB ILE 17 HB ILE 17 3.077 -4.004 6.247 127 HG12 ILE 17 HG12 ILE 17 2.388 -2.872 3.491 128 HG13 ILE 17 HG13 ILE 17 2.763 -1.961 4.950 129 HG21 ILE 17 HG21 ILE 17 2.773 -6.275 5.243 130 HG22 ILE 17 HG22 ILE 17 2.725 -5.507 3.640 131 HG23 ILE 17 HG23 ILE 17 4.188 -5.438 4.639 132 HD11 ILE 17 HD11 ILE 17 4.715 -1.911 3.578 133 HD12 ILE 17 HD12 ILE 17 5.058 -3.052 4.910 134 HD13 ILE 17 HD13 ILE 17 4.647 -3.639 3.292 135 H GLN 18 H GLN 18 0.799 -5.016 7.913 136 HA GLN 18 HA GLN 18 0.494 -7.722 7.319 137 HB2 GLN 18 HB2 GLN 18 -0.033 -8.043 9.577 138 HB3 GLN 18 HB3 GLN 18 0.978 -6.592 9.543 139 HG2 GLN 18 HG2 GLN 18 -1.170 -5.240 9.625 140 HG3 GLN 18 HG3 GLN 18 -2.023 -6.749 9.940 141 HE21 GLN 18 HE21 GLN 18 -2.523 -6.854 12.123 142 HE22 GLN 18 HE22 GLN 18 -1.470 -6.449 13.420 143 H SER 19 H SER 19 -2.011 -5.198 7.419 144 HA SER 19 HA SER 19 -4.185 -7.063 6.924 145 HB2 SER 19 HB2 SER 19 -4.192 -4.026 6.718 146 HB3 SER 19 HB3 SER 19 -5.561 -5.115 7.040 147 HG SER 19 HG SER 19 -4.897 -4.147 8.919 148 H LEU 20 H LEU 20 -2.088 -4.922 5.002 149 HA LEU 20 HA LEU 20 -3.680 -4.951 2.610 150 HB2 LEU 20 HB2 LEU 20 -1.963 -3.227 3.077 151 HB3 LEU 20 HB3 LEU 20 -0.705 -4.466 2.997 152 HG LEU 20 HG LEU 20 -1.130 -4.862 0.626 153 HD11 LEU 20 HD11 LEU 20 -2.643 -3.361 -0.661 154 HD12 LEU 20 HD12 LEU 20 -3.286 -2.707 0.863 155 HD13 LEU 20 HD13 LEU 20 -3.534 -4.418 0.430 156 HD21 LEU 20 HD21 LEU 20 -0.366 -2.688 -0.229 157 HD22 LEU 20 HD22 LEU 20 0.448 -3.089 1.299 158 HD23 LEU 20 HD23 LEU 20 -0.864 -1.896 1.279 159 H VAL 21 H VAL 21 -0.735 -6.815 3.535 160 HA VAL 21 HA VAL 21 -0.576 -8.435 1.232 161 HB VAL 21 HB VAL 21 0.158 -8.972 4.147 162 HG11 VAL 21 HG11 VAL 21 1.710 -10.726 3.192 163 HG12 VAL 21 HG12 VAL 21 -0.006 -11.137 3.086 164 HG13 VAL 21 HG13 VAL 21 0.858 -10.566 1.646 165 HG21 VAL 21 HG21 VAL 21 1.331 -7.071 2.910 166 HG22 VAL 21 HG22 VAL 21 2.380 -8.345 3.555 167 HG23 VAL 21 HG23 VAL 21 2.003 -8.301 1.825 168 H HIS 22 H HIS 22 -2.299 -9.007 4.339 169 HA HIS 22 HA HIS 22 -3.446 -11.438 3.728 170 HB2 HIS 22 HB2 HIS 22 -3.593 -10.347 5.944 171 HB3 HIS 22 HB3 HIS 22 -4.651 -9.102 5.300 172 HD1 HIS 22 HD1 HIS 22 -4.640 -12.932 5.737 173 HD2 HIS 22 HD2 HIS 22 -7.279 -9.694 5.090 174 HE1 HIS 22 HE1 HIS 22 -6.990 -13.858 5.736 175 H ALA 23 H ALA 23 -4.981 -8.227 3.163 176 HA ALA 23 HA ALA 23 -7.269 -9.334 1.860 177 HB1 ALA 23 HB1 ALA 23 -6.054 -6.554 1.643 178 HB2 ALA 23 HB2 ALA 23 -7.708 -7.015 1.169 179 HB3 ALA 23 HB3 ALA 23 -7.211 -7.140 2.872 180 H ALA 24 H ALA 24 -4.073 -8.676 0.636 181 HA ALA 24 HA ALA 24 -4.832 -8.550 -2.166 182 HB1 ALA 24 HB1 ALA 24 -2.105 -9.057 -0.900 183 HB2 ALA 24 HB2 ALA 24 -2.451 -8.529 -2.552 184 HB3 ALA 24 HB3 ALA 24 -2.801 -7.440 -1.204 185 H GLN 25 H GLN 25 -4.094 -11.153 0.085 186 HA GLN 25 HA GLN 25 -3.980 -13.078 -2.200 187 HB2 GLN 25 HB2 GLN 25 -2.662 -14.502 -0.801 188 HB3 GLN 25 HB3 GLN 25 -1.979 -12.877 -0.794 189 HG2 GLN 25 HG2 GLN 25 -3.060 -12.472 1.438 190 HG3 GLN 25 HG3 GLN 25 -3.624 -14.129 1.435 191 HE21 GLN 25 HE21 GLN 25 -2.234 -15.649 2.348 192 HE22 GLN 25 HE22 GLN 25 -0.556 -15.316 2.747 193 H CYS 26 H CYS 26 -5.937 -12.152 0.483 194 HA CYS 26 HA CYS 26 -7.052 -14.580 1.315 195 HB2 CYS 26 HB2 CYS 26 -7.223 -12.733 2.677 196 HB3 CYS 26 HB3 CYS 26 -7.894 -11.693 1.426 197 H ARG 27 H ARG 27 -7.579 -15.909 -0.334 198 HA ARG 27 HA ARG 27 -10.140 -15.390 -1.716 199 HB2 ARG 27 HB2 ARG 27 -7.592 -16.260 -3.193 200 HB3 ARG 27 HB3 ARG 27 -9.223 -16.243 -3.870 201 HG2 ARG 27 HG2 ARG 27 -9.263 -13.727 -3.291 202 HG3 ARG 27 HG3 ARG 27 -7.524 -13.855 -3.021 203 HD2 ARG 27 HD2 ARG 27 -8.978 -14.555 -5.601 204 HD3 ARG 27 HD3 ARG 27 -8.171 -13.014 -5.255 205 HE ARG 27 HE ARG 27 -6.277 -15.072 -4.839 206 HH11 ARG 27 HH11 ARG 27 -8.117 -13.540 -7.493 207 HH12 ARG 27 HH12 ARG 27 -7.014 -14.069 -8.715 208 HH21 ARG 27 HH21 ARG 27 -4.746 -15.636 -6.501 209 HH22 ARG 27 HH22 ARG 27 -4.979 -15.030 -8.119 210 H ASN 28 H ASN 28 -10.807 -16.830 0.020 211 HA ASN 28 HA ASN 28 -10.799 -19.626 -0.622 212 HB2 ASN 28 HB2 ASN 28 -8.465 -19.221 0.511 213 HB3 ASN 28 HB3 ASN 28 -9.368 -18.866 1.978 214 HD21 ASN 28 HD21 ASN 28 -7.550 -21.227 0.799 215 HD22 ASN 28 HD22 ASN 28 -8.458 -22.649 1.252 216 H ALA 29 H ALA 29 -12.651 -20.497 0.440 217 HA ALA 29 HA ALA 29 -14.467 -18.746 1.728 218 HB1 ALA 29 HB1 ALA 29 -15.722 -20.847 2.168 219 HB2 ALA 29 HB2 ALA 29 -15.121 -20.800 0.507 220 HB3 ALA 29 HB3 ALA 29 -14.290 -21.791 1.730 221 H ASN 30 H ASN 30 -11.874 -20.738 3.013 222 HA ASN 30 HA ASN 30 -12.747 -20.899 5.746 223 HB2 ASN 30 HB2 ASN 30 -11.070 -22.418 4.860 224 HB3 ASN 30 HB3 ASN 30 -10.010 -21.081 4.415 225 HD21 ASN 30 HD21 ASN 30 -8.195 -21.197 5.721 226 HD22 ASN 30 HD22 ASN 30 -8.238 -21.486 7.441 227 H CYS 31 H CYS 31 -11.196 -18.287 3.885 228 HA CYS 31 HA CYS 31 -10.049 -17.026 6.202 229 HB2 CYS 31 HB2 CYS 31 -9.259 -16.655 3.736 230 HB3 CYS 31 HB3 CYS 31 -10.716 -15.691 3.554 231 H SER 32 H SER 32 -11.057 -15.917 7.679 232 HA SER 32 HA SER 32 -13.363 -14.215 6.919 233 HB2 SER 32 HB2 SER 32 -14.072 -16.539 7.850 234 HB3 SER 32 HB3 SER 32 -13.548 -15.899 9.419 235 HG SER 32 HG SER 32 -15.692 -15.463 9.107 236 H LEU 33 H LEU 33 -12.000 -12.406 7.088 237 HA LEU 33 HA LEU 33 -11.190 -11.706 9.862 238 HB2 LEU 33 HB2 LEU 33 -9.649 -11.464 7.295 239 HB3 LEU 33 HB3 LEU 33 -9.584 -10.111 8.412 240 HG LEU 33 HG LEU 33 -8.994 -11.832 10.251 241 HD11 LEU 33 HD11 LEU 33 -8.254 -13.447 7.779 242 HD12 LEU 33 HD12 LEU 33 -9.425 -13.911 9.021 243 HD13 LEU 33 HD13 LEU 33 -7.712 -13.807 9.428 244 HD21 LEU 33 HD21 LEU 33 -6.989 -11.171 8.075 245 HD22 LEU 33 HD22 LEU 33 -6.602 -11.679 9.729 246 HD23 LEU 33 HD23 LEU 33 -7.439 -10.148 9.464 247 HA PRO 34 HA PRO 34 -14.168 -8.538 8.900 248 HB2 PRO 34 HB2 PRO 34 -13.826 -6.824 10.989 249 HB3 PRO 34 HB3 PRO 34 -14.546 -8.454 11.198 250 HG2 PRO 34 HG2 PRO 34 -11.666 -7.621 11.616 251 HG3 PRO 34 HG3 PRO 34 -12.706 -8.532 12.741 252 HD2 PRO 34 HD2 PRO 34 -10.973 -9.807 11.115 253 HD3 PRO 34 HD3 PRO 34 -12.606 -10.488 11.399 254 H SER 35 H SER 35 -10.737 -7.695 9.412 255 HA SER 35 HA SER 35 -10.970 -5.001 8.356 256 HB2 SER 35 HB2 SER 35 -8.356 -5.356 8.516 257 HB3 SER 35 HB3 SER 35 -9.347 -5.197 9.972 258 HG SER 35 HG SER 35 -7.967 -7.402 9.007 259 H CYS 36 H CYS 36 -10.181 -8.192 7.158 260 HA CYS 36 HA CYS 36 -8.773 -7.784 4.841 261 HB2 CYS 36 HB2 CYS 36 -9.368 -9.940 5.877 262 HB3 CYS 36 HB3 CYS 36 -11.036 -9.773 5.391 263 H GLN 37 H GLN 37 -12.304 -8.058 4.964 264 HA GLN 37 HA GLN 37 -12.911 -7.292 2.351 265 HB2 GLN 37 HB2 GLN 37 -15.175 -6.899 3.126 266 HB3 GLN 37 HB3 GLN 37 -14.488 -8.254 4.016 267 HG2 GLN 37 HG2 GLN 37 -13.859 -6.553 5.834 268 HG3 GLN 37 HG3 GLN 37 -14.890 -5.393 4.989 269 HE21 GLN 37 HE21 GLN 37 -15.043 -6.550 7.717 270 HE22 GLN 37 HE22 GLN 37 -16.721 -7.050 7.840 271 H LYS 38 H LYS 38 -12.136 -5.137 5.080 272 HA LYS 38 HA LYS 38 -13.056 -2.710 3.718 273 HB2 LYS 38 HB2 LYS 38 -11.219 -2.951 6.138 274 HB3 LYS 38 HB3 LYS 38 -12.162 -1.554 5.604 275 HG2 LYS 38 HG2 LYS 38 -13.384 -4.125 6.655 276 HG3 LYS 38 HG3 LYS 38 -13.020 -2.714 7.647 277 HD2 LYS 38 HD2 LYS 38 -14.597 -1.328 6.434 278 HD3 LYS 38 HD3 LYS 38 -14.825 -2.576 5.205 279 HE2 LYS 38 HE2 LYS 38 -16.716 -2.697 6.596 280 HE3 LYS 38 HE3 LYS 38 -15.743 -4.120 6.954 281 HZ1 LYS 38 HZ1 LYS 38 -16.661 -3.083 8.895 282 HZ2 LYS 38 HZ2 LYS 38 -15.885 -1.671 8.610 283 HZ3 LYS 38 HZ3 LYS 38 -15.006 -2.987 9.009 284 H MET 39 H MET 39 -9.876 -4.247 4.480 285 HA MET 39 HA MET 39 -8.260 -2.331 3.149 286 HB2 MET 39 HB2 MET 39 -7.993 -5.316 3.603 287 HB3 MET 39 HB3 MET 39 -6.715 -4.381 2.821 288 HG2 MET 39 HG2 MET 39 -7.801 -4.006 5.629 289 HG3 MET 39 HG3 MET 39 -6.295 -4.774 5.164 290 HE1 MET 39 HE1 MET 39 -4.322 -3.367 3.861 291 HE2 MET 39 HE2 MET 39 -5.382 -2.447 2.767 292 HE3 MET 39 HE3 MET 39 -4.230 -1.605 3.825 293 H LYS 40 H LYS 40 -9.954 -5.238 1.913 294 HA LYS 40 HA LYS 40 -9.006 -5.239 -0.697 295 HB2 LYS 40 HB2 LYS 40 -11.351 -6.326 0.692 296 HB3 LYS 40 HB3 LYS 40 -11.655 -6.007 -0.993 297 HG2 LYS 40 HG2 LYS 40 -10.455 -7.757 -1.713 298 HG3 LYS 40 HG3 LYS 40 -9.048 -7.336 -0.730 299 HD2 LYS 40 HD2 LYS 40 -10.053 -8.289 1.235 300 HD3 LYS 40 HD3 LYS 40 -11.535 -8.699 0.334 301 HE2 LYS 40 HE2 LYS 40 -9.948 -10.120 -1.201 302 HE3 LYS 40 HE3 LYS 40 -8.757 -9.896 0.066 303 HZ1 LYS 40 HZ1 LYS 40 -10.042 -11.954 0.303 304 HZ2 LYS 40 HZ2 LYS 40 -11.405 -11.065 0.671 305 HZ3 LYS 40 HZ3 LYS 40 -10.084 -11.021 1.598 306 H ARG 41 H ARG 41 -11.502 -2.863 0.685 307 HA ARG 41 HA ARG 41 -12.402 -2.060 -1.872 308 HB2 ARG 41 HB2 ARG 41 -12.482 -1.125 1.042 309 HB3 ARG 41 HB3 ARG 41 -13.019 -0.118 -0.201 310 HG2 ARG 41 HG2 ARG 41 -14.112 -2.905 0.283 311 HG3 ARG 41 HG3 ARG 41 -14.824 -1.427 0.926 312 HD2 ARG 41 HD2 ARG 41 -14.405 -2.105 -1.999 313 HD3 ARG 41 HD3 ARG 41 -15.960 -2.212 -1.154 314 HE ARG 41 HE ARG 41 -14.784 0.092 -2.383 315 HH11 ARG 41 HH11 ARG 41 -16.835 -0.712 0.461 316 HH12 ARG 41 HH12 ARG 41 -17.200 0.957 0.765 317 HH21 ARG 41 HH21 ARG 41 -15.544 2.223 -2.080 318 HH22 ARG 41 HH22 ARG 41 -16.456 2.612 -0.644 319 H VAL 42 H VAL 42 -9.690 -1.350 0.125 320 HA VAL 42 HA VAL 42 -9.046 1.198 -1.189 321 HB VAL 42 HB VAL 42 -7.092 -0.402 0.502 322 HG11 VAL 42 HG11 VAL 42 -6.260 1.597 -0.759 323 HG12 VAL 42 HG12 VAL 42 -7.494 2.601 0.032 324 HG13 VAL 42 HG13 VAL 42 -6.204 1.848 0.991 325 HG21 VAL 42 HG21 VAL 42 -9.260 1.509 1.502 326 HG22 VAL 42 HG22 VAL 42 -9.105 -0.217 1.903 327 HG23 VAL 42 HG23 VAL 42 -7.886 0.925 2.461 328 H VAL 43 H VAL 43 -7.872 -2.235 -1.338 329 HA VAL 43 HA VAL 43 -6.032 -1.724 -3.456 330 HB VAL 43 HB VAL 43 -7.466 -4.361 -2.943 331 HG11 VAL 43 HG11 VAL 43 -4.670 -3.728 -4.034 332 HG12 VAL 43 HG12 VAL 43 -5.400 -5.341 -3.864 333 HG13 VAL 43 HG13 VAL 43 -6.063 -4.190 -5.028 334 HG21 VAL 43 HG21 VAL 43 -5.497 -4.918 -1.483 335 HG22 VAL 43 HG22 VAL 43 -4.994 -3.215 -1.572 336 HG23 VAL 43 HG23 VAL 43 -6.522 -3.666 -0.793 337 H GLN 44 H GLN 44 -9.530 -2.568 -3.467 338 HA GLN 44 HA GLN 44 -9.751 -2.664 -6.329 339 HB2 GLN 44 HB2 GLN 44 -11.726 -2.252 -4.060 340 HB3 GLN 44 HB3 GLN 44 -12.238 -2.160 -5.741 341 HG2 GLN 44 HG2 GLN 44 -11.658 -4.415 -6.212 342 HG3 GLN 44 HG3 GLN 44 -10.749 -4.589 -4.706 343 HE21 GLN 44 HE21 GLN 44 -11.825 -5.034 -2.834 344 HE22 GLN 44 HE22 GLN 44 -13.599 -5.227 -2.695 345 H HIS 45 H HIS 45 -9.612 0.081 -4.022 346 HA HIS 45 HA HIS 45 -10.874 1.977 -5.733 347 HB2 HIS 45 HB2 HIS 45 -10.680 2.736 -3.541 348 HB3 HIS 45 HB3 HIS 45 -9.003 2.274 -3.381 349 HD1 HIS 45 HD1 HIS 45 -11.053 5.288 -4.346 350 HD2 HIS 45 HD2 HIS 45 -7.124 3.807 -4.679 351 HE1 HIS 45 HE1 HIS 45 -9.619 7.217 -5.137 352 H THR 46 H THR 46 -7.297 1.208 -5.276 353 HA THR 46 HA THR 46 -6.486 2.931 -7.375 354 HB THR 46 HB THR 46 -4.903 2.161 -5.805 355 HG1 THR 46 HG1 THR 46 -4.614 1.703 -8.525 356 HG21 THR 46 HG21 THR 46 -5.291 -0.608 -6.949 357 HG22 THR 46 HG22 THR 46 -5.693 -0.038 -5.305 358 HG23 THR 46 HG23 THR 46 -4.018 -0.103 -5.800 359 H LYS 47 H LYS 47 -7.733 -0.396 -7.590 360 HA LYS 47 HA LYS 47 -6.877 -0.746 -10.311 361 HB2 LYS 47 HB2 LYS 47 -7.571 -2.521 -8.554 362 HB3 LYS 47 HB3 LYS 47 -9.237 -2.172 -9.009 363 HG2 LYS 47 HG2 LYS 47 -7.588 -2.591 -11.408 364 HG3 LYS 47 HG3 LYS 47 -7.311 -3.888 -10.261 365 HD2 LYS 47 HD2 LYS 47 -9.031 -4.523 -11.805 366 HD3 LYS 47 HD3 LYS 47 -9.739 -4.369 -10.185 367 HE2 LYS 47 HE2 LYS 47 -10.651 -2.148 -10.804 368 HE3 LYS 47 HE3 LYS 47 -9.853 -2.248 -12.382 369 HZ1 LYS 47 HZ1 LYS 47 -11.228 -4.039 -12.976 370 HZ2 LYS 47 HZ2 LYS 47 -12.201 -2.832 -12.421 371 HZ3 LYS 47 HZ3 LYS 47 -11.936 -4.121 -11.459 372 H GLY 48 H GLY 48 -9.611 0.993 -8.955 373 HA2 GLY 48 HA2 GLY 48 -10.737 1.331 -11.712 374 HA3 GLY 48 HA3 GLY 48 -11.726 1.216 -10.257 375 H CYS 49 H CYS 49 -8.814 2.984 -9.645 376 HA CYS 49 HA CYS 49 -10.378 5.428 -9.308 377 HB2 CYS 49 HB2 CYS 49 -8.426 4.606 -7.841 378 HB3 CYS 49 HB3 CYS 49 -7.376 5.205 -9.141 379 H LYS 50 H LYS 50 -10.863 6.787 -10.864 380 HA LYS 50 HA LYS 50 -10.007 6.678 -13.532 381 HB2 LYS 50 HB2 LYS 50 -12.012 7.877 -12.706 382 HB3 LYS 50 HB3 LYS 50 -11.005 9.032 -11.851 383 HG2 LYS 50 HG2 LYS 50 -11.914 9.998 -13.883 384 HG3 LYS 50 HG3 LYS 50 -10.147 9.929 -13.993 385 HD2 LYS 50 HD2 LYS 50 -10.239 8.034 -15.476 386 HD3 LYS 50 HD3 LYS 50 -11.950 7.772 -15.106 387 HE2 LYS 50 HE2 LYS 50 -12.517 9.951 -16.179 388 HE3 LYS 50 HE3 LYS 50 -10.813 10.176 -16.600 389 HZ1 LYS 50 HZ1 LYS 50 -12.424 7.895 -17.534 390 HZ2 LYS 50 HZ2 LYS 50 -10.905 8.344 -18.040 391 HZ3 LYS 50 HZ3 LYS 50 -12.219 9.267 -18.399 392 H ARG 51 H ARG 51 -8.775 8.634 -10.835 393 HA ARG 51 HA ARG 51 -6.819 10.114 -12.148 394 HB2 ARG 51 HB2 ARG 51 -7.193 9.090 -9.341 395 HB3 ARG 51 HB3 ARG 51 -5.664 9.867 -9.752 396 HG2 ARG 51 HG2 ARG 51 -8.320 11.213 -10.317 397 HG3 ARG 51 HG3 ARG 51 -7.478 11.370 -8.766 398 HD2 ARG 51 HD2 ARG 51 -5.510 12.295 -9.877 399 HD3 ARG 51 HD3 ARG 51 -6.257 12.087 -11.468 400 HE ARG 51 HE ARG 51 -8.110 13.614 -10.150 401 HH11 ARG 51 HH11 ARG 51 -4.702 13.956 -11.125 402 HH12 ARG 51 HH12 ARG 51 -4.647 15.664 -10.792 403 HH21 ARG 51 HH21 ARG 51 -8.040 15.914 -9.845 404 HH22 ARG 51 HH22 ARG 51 -6.662 16.814 -10.397 405 H LYS 52 H LYS 52 -6.590 6.683 -11.228 406 HA LYS 52 HA LYS 52 -3.825 6.344 -11.298 407 HB2 LYS 52 HB2 LYS 52 -5.545 4.603 -10.683 408 HB3 LYS 52 HB3 LYS 52 -5.968 4.463 -12.384 409 HG2 LYS 52 HG2 LYS 52 -4.613 2.625 -11.917 410 HG3 LYS 52 HG3 LYS 52 -3.606 3.710 -12.869 411 HD2 LYS 52 HD2 LYS 52 -2.458 4.460 -10.766 412 HD3 LYS 52 HD3 LYS 52 -3.601 3.489 -9.833 413 HE2 LYS 52 HE2 LYS 52 -1.688 2.097 -9.956 414 HE3 LYS 52 HE3 LYS 52 -2.778 1.461 -11.192 415 HZ1 LYS 52 HZ1 LYS 52 -0.772 1.607 -12.300 416 HZ2 LYS 52 HZ2 LYS 52 -0.309 3.005 -11.532 417 HZ3 LYS 52 HZ3 LYS 52 -1.416 3.052 -12.717 418 H THR 53 H THR 53 -6.160 6.165 -13.984 419 HA THR 53 HA THR 53 -4.254 5.785 -16.076 420 HB THR 53 HB THR 53 -6.982 7.127 -16.263 421 HG1 THR 53 HG1 THR 53 -7.852 5.127 -16.460 422 HG21 THR 53 HG21 THR 53 -5.710 7.169 -18.354 423 HG22 THR 53 HG22 THR 53 -7.017 5.991 -18.509 424 HG23 THR 53 HG23 THR 53 -5.355 5.441 -18.217 425 H ASN 54 H ASN 54 -5.883 8.720 -14.792 426 HA ASN 54 HA ASN 54 -4.707 10.587 -16.531 427 HB2 ASN 54 HB2 ASN 54 -5.749 11.062 -13.721 428 HB3 ASN 54 HB3 ASN 54 -5.463 12.282 -14.941 429 HD21 ASN 54 HD21 ASN 54 -7.710 12.974 -14.587 430 HD22 ASN 54 HD22 ASN 54 -9.007 12.062 -15.280 431 H GLY 55 H GLY 55 -2.798 8.824 -14.426 432 HA2 GLY 55 HA2 GLY 55 -0.451 9.653 -14.583 433 HA3 GLY 55 HA3 GLY 55 -0.995 11.155 -13.866 434 H GLY 56 H GLY 56 -2.864 9.436 -12.013 435 HA2 GLY 56 HA2 GLY 56 -2.060 7.679 -10.346 436 HA3 GLY 56 HA3 GLY 56 -0.795 8.867 -9.967 437 H CYS 57 H CYS 57 -3.101 7.783 -8.421 438 HA CYS 57 HA CYS 57 -4.727 10.133 -7.745 439 HB2 CYS 57 HB2 CYS 57 -4.935 7.588 -6.224 440 HB3 CYS 57 HB3 CYS 57 -6.221 8.589 -6.947 441 HA PRO 58 HA PRO 58 -2.292 11.001 -4.110 442 HB2 PRO 58 HB2 PRO 58 -4.175 11.394 -2.087 443 HB3 PRO 58 HB3 PRO 58 -3.791 12.574 -3.377 444 HG2 PRO 58 HG2 PRO 58 -6.015 10.521 -3.293 445 HG3 PRO 58 HG3 PRO 58 -6.142 12.273 -3.697 446 HD2 PRO 58 HD2 PRO 58 -6.007 10.459 -5.669 447 HD3 PRO 58 HD3 PRO 58 -5.007 11.942 -5.789 448 H ILE 59 H ILE 59 -4.971 8.863 -3.163 449 HA ILE 59 HA ILE 59 -3.780 7.389 -1.166 450 HB ILE 59 HB ILE 59 -5.861 6.562 -3.252 451 HG12 ILE 59 HG12 ILE 59 -6.282 7.450 -0.377 452 HG13 ILE 59 HG13 ILE 59 -6.417 8.534 -1.747 453 HG21 ILE 59 HG21 ILE 59 -6.543 4.725 -1.740 454 HG22 ILE 59 HG22 ILE 59 -4.879 4.514 -2.224 455 HG23 ILE 59 HG23 ILE 59 -5.244 5.162 -0.618 456 HD11 ILE 59 HD11 ILE 59 -8.162 6.061 -1.375 457 HD12 ILE 59 HD12 ILE 59 -8.602 7.710 -0.970 458 HD13 ILE 59 HD13 ILE 59 -8.281 7.281 -2.658 459 H CYS 60 H CYS 60 -4.183 6.339 -4.556 460 HA CYS 60 HA CYS 60 -2.658 4.078 -4.541 461 HB2 CYS 60 HB2 CYS 60 -3.140 5.874 -6.942 462 HB3 CYS 60 HB3 CYS 60 -3.018 4.095 -6.863 463 H LYS 61 H LYS 61 -1.506 7.417 -4.924 464 HA LYS 61 HA LYS 61 1.122 6.695 -5.993 465 HB2 LYS 61 HB2 LYS 61 -0.076 9.179 -4.703 466 HB3 LYS 61 HB3 LYS 61 1.657 9.054 -4.929 467 HG2 LYS 61 HG2 LYS 61 1.460 8.872 -7.331 468 HG3 LYS 61 HG3 LYS 61 -0.277 8.638 -7.246 469 HD2 LYS 61 HD2 LYS 61 0.154 10.931 -7.923 470 HD3 LYS 61 HD3 LYS 61 -0.573 10.924 -6.324 471 HE2 LYS 61 HE2 LYS 61 1.205 12.562 -6.404 472 HE3 LYS 61 HE3 LYS 61 1.649 11.285 -5.275 473 HZ1 LYS 61 HZ1 LYS 61 2.571 11.361 -8.080 474 HZ2 LYS 61 HZ2 LYS 61 3.143 10.391 -6.860 475 HZ3 LYS 61 HZ3 LYS 61 3.426 12.011 -6.846 476 H GLN 62 H GLN 62 -0.130 7.570 -2.697 477 HA GLN 62 HA GLN 62 2.369 6.998 -1.419 478 HB2 GLN 62 HB2 GLN 62 -0.444 7.095 -0.246 479 HB3 GLN 62 HB3 GLN 62 1.075 7.096 0.675 480 HG2 GLN 62 HG2 GLN 62 1.770 9.170 -0.603 481 HG3 GLN 62 HG3 GLN 62 0.146 9.220 -1.307 482 HE21 GLN 62 HE21 GLN 62 1.720 11.044 0.642 483 HE22 GLN 62 HE22 GLN 62 0.492 11.357 1.857 484 H LEU 63 H LEU 63 -0.202 4.913 -2.527 485 HA LEU 63 HA LEU 63 0.369 2.646 -0.888 486 HB2 LEU 63 HB2 LEU 63 -1.726 3.009 -2.123 487 HB3 LEU 63 HB3 LEU 63 -0.868 2.828 -3.653 488 HG LEU 63 HG LEU 63 -0.451 0.522 -3.284 489 HD11 LEU 63 HD11 LEU 63 -0.051 0.375 -0.864 490 HD12 LEU 63 HD12 LEU 63 -1.390 -0.693 -1.278 491 HD13 LEU 63 HD13 LEU 63 -1.695 0.891 -0.520 492 HD21 LEU 63 HD21 LEU 63 -3.334 1.154 -2.553 493 HD22 LEU 63 HD22 LEU 63 -2.725 -0.342 -3.313 494 HD23 LEU 63 HD23 LEU 63 -2.641 1.193 -4.183 495 H ILE 64 H ILE 64 2.080 4.004 -3.634 496 HA ILE 64 HA ILE 64 3.477 1.604 -4.434 497 HB ILE 64 HB ILE 64 4.170 4.543 -4.869 498 HG12 ILE 64 HG12 ILE 64 2.768 2.580 -6.760 499 HG13 ILE 64 HG13 ILE 64 1.938 3.800 -5.807 500 HG21 ILE 64 HG21 ILE 64 6.117 3.017 -5.225 501 HG22 ILE 64 HG22 ILE 64 5.141 2.078 -6.365 502 HG23 ILE 64 HG23 ILE 64 5.578 3.765 -6.720 503 HD11 ILE 64 HD11 ILE 64 3.880 4.349 -8.058 504 HD12 ILE 64 HD12 ILE 64 2.135 4.637 -8.014 505 HD13 ILE 64 HD13 ILE 64 3.209 5.594 -6.975 506 H ALA 65 H ALA 65 4.039 4.188 -2.028 507 HA ALA 65 HA ALA 65 6.737 3.692 -1.434 508 HB1 ALA 65 HB1 ALA 65 5.289 5.574 -0.543 509 HB2 ALA 65 HB2 ALA 65 4.540 4.415 0.564 510 HB3 ALA 65 HB3 ALA 65 6.271 4.771 0.704 511 H LEU 66 H LEU 66 3.804 2.084 -0.275 512 HA LEU 66 HA LEU 66 5.203 0.337 1.586 513 HB2 LEU 66 HB2 LEU 66 2.360 0.836 0.774 514 HB3 LEU 66 HB3 LEU 66 2.746 -0.770 1.400 515 HG LEU 66 HG LEU 66 3.662 -0.001 3.382 516 HD11 LEU 66 HD11 LEU 66 3.116 2.851 2.491 517 HD12 LEU 66 HD12 LEU 66 4.722 2.125 2.760 518 HD13 LEU 66 HD13 LEU 66 3.659 2.333 4.122 519 HD21 LEU 66 HD21 LEU 66 1.588 0.941 4.393 520 HD22 LEU 66 HD22 LEU 66 1.279 -0.397 3.279 521 HD23 LEU 66 HD23 LEU 66 0.998 1.258 2.732 522 H ALA 67 H ALA 67 4.013 0.055 -1.727 523 HA ALA 67 HA ALA 67 4.344 -2.738 -2.081 524 HB1 ALA 67 HB1 ALA 67 4.926 -0.557 -4.138 525 HB2 ALA 67 HB2 ALA 67 4.459 -2.246 -4.428 526 HB3 ALA 67 HB3 ALA 67 3.311 -1.094 -3.710 527 H ALA 68 H ALA 68 6.605 -0.023 -2.746 528 HA ALA 68 HA ALA 68 8.897 -1.580 -3.346 529 HB1 ALA 68 HB1 ALA 68 10.134 0.526 -2.919 530 HB2 ALA 68 HB2 ALA 68 8.695 0.807 -3.916 531 HB3 ALA 68 HB3 ALA 68 8.682 1.241 -2.189 532 H TYR 69 H TYR 69 7.739 -0.266 -0.203 533 HA TYR 69 HA TYR 69 10.044 -0.989 1.310 534 HB2 TYR 69 HB2 TYR 69 8.465 0.574 2.218 535 HB3 TYR 69 HB3 TYR 69 7.135 -0.560 2.030 536 HD1 TYR 69 HD1 TYR 69 9.853 0.487 4.261 537 HD2 TYR 69 HD2 TYR 69 6.971 -2.593 3.401 538 HE1 TYR 69 HE1 TYR 69 10.307 -0.559 6.463 539 HE2 TYR 69 HE2 TYR 69 7.339 -3.604 5.582 540 HH TYR 69 HH TYR 69 9.982 -2.556 7.754 541 H HIS 70 H HIS 70 7.073 -2.886 0.467 542 HA HIS 70 HA HIS 70 7.950 -5.156 2.045 543 HB2 HIS 70 HB2 HIS 70 5.696 -4.958 2.012 544 HB3 HIS 70 HB3 HIS 70 5.617 -4.356 0.369 545 HD1 HIS 70 HD1 HIS 70 5.164 -7.566 2.267 546 HD2 HIS 70 HD2 HIS 70 5.764 -6.096 -1.609 547 HE1 HIS 70 HE1 HIS 70 4.357 -9.387 0.688 548 H ALA 71 H ALA 71 7.972 -4.304 -1.478 549 HA ALA 71 HA ALA 71 8.825 -6.784 -2.411 550 HB1 ALA 71 HB1 ALA 71 9.495 -4.025 -3.496 551 HB2 ALA 71 HB2 ALA 71 9.605 -5.561 -4.379 552 HB3 ALA 71 HB3 ALA 71 8.018 -4.968 -3.848 553 H LYS 72 H LYS 72 10.744 -4.344 -0.713 554 HA LYS 72 HA LYS 72 13.242 -5.386 -1.686 555 HB2 LYS 72 HB2 LYS 72 14.350 -3.950 -0.349 556 HB3 LYS 72 HB3 LYS 72 12.815 -3.107 -0.521 557 HG2 LYS 72 HG2 LYS 72 12.161 -3.803 1.741 558 HG3 LYS 72 HG3 LYS 72 13.556 -4.855 1.880 559 HD2 LYS 72 HD2 LYS 72 13.962 -2.876 3.146 560 HD3 LYS 72 HD3 LYS 72 15.099 -2.993 1.798 561 HE2 LYS 72 HE2 LYS 72 13.721 -1.404 0.487 562 HE3 LYS 72 HE3 LYS 72 12.583 -1.271 1.842 563 HZ1 LYS 72 HZ1 LYS 72 14.317 0.491 1.661 564 HZ2 LYS 72 HZ2 LYS 72 15.451 -0.613 2.035 565 HZ3 LYS 72 HZ3 LYS 72 14.256 -0.271 3.142 566 H HIS 73 H HIS 73 10.927 -6.849 0.257 567 HA HIS 73 HA HIS 73 12.885 -8.752 1.464 568 HB2 HIS 73 HB2 HIS 73 10.131 -8.024 2.529 569 HB3 HIS 73 HB3 HIS 73 11.302 -9.107 3.264 570 HD1 HIS 73 HD1 HIS 73 9.986 -6.103 4.255 571 HD2 HIS 73 HD2 HIS 73 13.897 -7.291 3.277 572 HE1 HIS 73 HE1 HIS 73 11.561 -4.484 5.457 573 H CYS 74 H CYS 74 9.654 -8.256 0.015 574 HA CYS 74 HA CYS 74 9.098 -11.118 -0.339 575 HB2 CYS 74 HB2 CYS 74 7.523 -9.049 0.300 576 HB3 CYS 74 HB3 CYS 74 7.562 -8.774 -1.438 577 H GLN 75 H GLN 75 10.196 -12.083 -1.876 578 HA GLN 75 HA GLN 75 10.186 -10.974 -4.623 579 HB2 GLN 75 HB2 GLN 75 12.595 -11.801 -4.835 580 HB3 GLN 75 HB3 GLN 75 12.330 -10.241 -4.077 581 HG2 GLN 75 HG2 GLN 75 12.796 -11.073 -1.885 582 HG3 GLN 75 HG3 GLN 75 12.702 -12.753 -2.397 583 HE21 GLN 75 HE21 GLN 75 14.758 -9.883 -2.335 584 HE22 GLN 75 HE22 GLN 75 16.232 -10.804 -2.699 585 H GLU 76 H GLU 76 8.581 -12.529 -5.090 586 HA GLU 76 HA GLU 76 9.590 -15.284 -5.188 587 HB2 GLU 76 HB2 GLU 76 7.237 -16.084 -4.578 588 HB3 GLU 76 HB3 GLU 76 8.388 -15.683 -3.310 589 HG2 GLU 76 HG2 GLU 76 7.205 -13.626 -2.810 590 HG3 GLU 76 HG3 GLU 76 6.172 -13.813 -4.226 591 H ASN 77 H ASN 77 7.808 -16.625 -6.499 592 HA ASN 77 HA ASN 77 7.949 -15.495 -9.127 593 HB2 ASN 77 HB2 ASN 77 6.408 -17.869 -8.065 594 HB3 ASN 77 HB3 ASN 77 6.445 -17.415 -9.768 595 HD21 ASN 77 HD21 ASN 77 7.657 -19.756 -8.039 596 HD22 ASN 77 HD22 ASN 77 9.296 -19.846 -8.651 597 H LYS 78 H LYS 78 5.125 -15.874 -6.919 598 HA LYS 78 HA LYS 78 3.680 -13.850 -8.538 599 HB2 LYS 78 HB2 LYS 78 2.399 -16.385 -7.485 600 HB3 LYS 78 HB3 LYS 78 1.651 -15.076 -8.399 601 HG2 LYS 78 HG2 LYS 78 3.466 -15.587 -10.198 602 HG3 LYS 78 HG3 LYS 78 3.699 -17.118 -9.361 603 HD2 LYS 78 HD2 LYS 78 1.397 -17.724 -9.746 604 HD3 LYS 78 HD3 LYS 78 1.024 -16.121 -10.398 605 HE2 LYS 78 HE2 LYS 78 2.999 -18.080 -11.642 606 HE3 LYS 78 HE3 LYS 78 1.312 -17.932 -12.134 607 HZ1 LYS 78 HZ1 LYS 78 3.320 -15.763 -12.344 608 HZ2 LYS 78 HZ2 LYS 78 1.756 -15.666 -12.831 609 HZ3 LYS 78 HZ3 LYS 78 2.785 -16.683 -13.584 610 H CYS 79 H CYS 79 4.686 -12.510 -6.756 611 HA CYS 79 HA CYS 79 4.155 -12.659 -4.093 612 HB2 CYS 79 HB2 CYS 79 4.625 -10.445 -6.048 613 HB3 CYS 79 HB3 CYS 79 3.828 -9.936 -4.572 614 HA PRO 80 HA PRO 80 -0.198 -12.195 -3.518 615 HB2 PRO 80 HB2 PRO 80 -0.306 -11.192 -0.950 616 HB3 PRO 80 HB3 PRO 80 0.117 -12.887 -1.361 617 HG2 PRO 80 HG2 PRO 80 2.003 -10.639 -0.698 618 HG3 PRO 80 HG3 PRO 80 2.001 -12.344 -0.137 619 HD2 PRO 80 HD2 PRO 80 3.586 -11.466 -2.195 620 HD3 PRO 80 HD3 PRO 80 2.895 -13.117 -2.157 621 H VAL 81 H VAL 81 1.672 -9.388 -2.265 622 HA VAL 81 HA VAL 81 -0.337 -7.437 -2.640 623 HB VAL 81 HB VAL 81 2.679 -7.291 -2.400 624 HG11 VAL 81 HG11 VAL 81 1.805 -5.183 -3.476 625 HG12 VAL 81 HG12 VAL 81 0.724 -4.979 -2.085 626 HG13 VAL 81 HG13 VAL 81 2.493 -4.945 -1.870 627 HG21 VAL 81 HG21 VAL 81 1.534 -8.205 -0.434 628 HG22 VAL 81 HG22 VAL 81 2.183 -6.604 -0.088 629 HG23 VAL 81 HG23 VAL 81 0.445 -6.804 -0.392 630 HA PRO 82 HA PRO 82 -0.088 -7.597 -7.120 631 HB2 PRO 82 HB2 PRO 82 -1.841 -5.563 -7.757 632 HB3 PRO 82 HB3 PRO 82 -2.324 -7.203 -7.225 633 HG2 PRO 82 HG2 PRO 82 -2.091 -4.686 -5.563 634 HG3 PRO 82 HG3 PRO 82 -3.431 -5.878 -5.599 635 HD2 PRO 82 HD2 PRO 82 -1.513 -5.968 -3.686 636 HD3 PRO 82 HD3 PRO 82 -2.177 -7.469 -4.409 637 H PHE 83 H PHE 83 0.544 -4.516 -5.362 638 HA PHE 83 HA PHE 83 1.739 -3.271 -7.738 639 HB2 PHE 83 HB2 PHE 83 1.819 -2.641 -4.776 640 HB3 PHE 83 HB3 PHE 83 2.794 -1.789 -5.957 641 HD1 PHE 83 HD1 PHE 83 -0.824 -2.731 -6.548 642 HD2 PHE 83 HD2 PHE 83 2.038 0.394 -5.690 643 HE1 PHE 83 HE1 PHE 83 -2.506 -1.027 -7.080 644 HE2 PHE 83 HE2 PHE 83 0.290 2.094 -6.133 645 HZ PHE 83 HZ PHE 83 -1.982 1.405 -6.816 646 H CYS 84 H CYS 84 2.886 -5.204 -4.984 647 HA CYS 84 HA CYS 84 5.713 -4.928 -5.374 648 HB2 CYS 84 HB2 CYS 84 4.759 -5.620 -3.290 649 HB3 CYS 84 HB3 CYS 84 3.924 -6.986 -4.050 650 H LEU 85 H LEU 85 3.262 -7.259 -6.455 651 HA LEU 85 HA LEU 85 4.838 -9.038 -7.900 652 HB2 LEU 85 HB2 LEU 85 2.459 -9.375 -7.409 653 HB3 LEU 85 HB3 LEU 85 2.022 -8.013 -8.435 654 HG LEU 85 HG LEU 85 2.794 -9.215 -10.437 655 HD11 LEU 85 HD11 LEU 85 4.496 -10.704 -9.363 656 HD12 LEU 85 HD12 LEU 85 3.343 -11.616 -10.312 657 HD13 LEU 85 HD13 LEU 85 3.196 -11.573 -8.533 658 HD21 LEU 85 HD21 LEU 85 0.442 -9.330 -9.673 659 HD22 LEU 85 HD22 LEU 85 0.811 -10.800 -8.753 660 HD23 LEU 85 HD23 LEU 85 0.933 -10.788 -10.536 661 H ASN 86 H ASN 86 3.750 -5.775 -8.819 662 HA ASN 86 HA ASN 86 4.730 -5.996 -11.577 663 HB2 ASN 86 HB2 ASN 86 3.790 -3.571 -9.981 664 HB3 ASN 86 HB3 ASN 86 4.368 -3.511 -11.640 665 HD21 ASN 86 HD21 ASN 86 3.185 -5.630 -12.979 666 HD22 ASN 86 HD22 ASN 86 1.445 -5.515 -12.773 667 H ILE 87 H ILE 87 5.860 -4.603 -8.472 668 HA ILE 87 HA ILE 87 8.102 -3.205 -9.485 669 HB ILE 87 HB ILE 87 7.534 -4.442 -6.769 670 HG12 ILE 87 HG12 ILE 87 7.823 -1.570 -7.751 671 HG13 ILE 87 HG13 ILE 87 6.284 -2.417 -7.697 672 HG21 ILE 87 HG21 ILE 87 9.991 -4.487 -6.970 673 HG22 ILE 87 HG22 ILE 87 9.997 -2.808 -7.543 674 HG23 ILE 87 HG23 ILE 87 9.517 -3.199 -5.885 675 HD11 ILE 87 HD11 ILE 87 8.015 -1.692 -5.327 676 HD12 ILE 87 HD12 ILE 87 6.433 -1.049 -5.749 677 HD13 ILE 87 HD13 ILE 87 6.583 -2.751 -5.237 678 H LYS 88 H LYS 88 7.819 -6.669 -8.512 679 HA LYS 88 HA LYS 88 10.546 -7.267 -8.910 680 HB2 LYS 88 HB2 LYS 88 8.948 -8.780 -7.874 681 HB3 LYS 88 HB3 LYS 88 8.116 -9.026 -9.405 682 HG2 LYS 88 HG2 LYS 88 11.026 -9.580 -9.604 683 HG3 LYS 88 HG3 LYS 88 10.285 -10.524 -8.328 684 HD2 LYS 88 HD2 LYS 88 9.174 -10.393 -11.164 685 HD3 LYS 88 HD3 LYS 88 10.340 -11.620 -10.617 686 HE2 LYS 88 HE2 LYS 88 8.789 -12.198 -8.749 687 HE3 LYS 88 HE3 LYS 88 7.595 -11.082 -9.413 688 HZ1 LYS 88 HZ1 LYS 88 7.130 -13.295 -10.093 689 HZ2 LYS 88 HZ2 LYS 88 8.619 -13.507 -10.757 690 HZ3 LYS 88 HZ3 LYS 88 7.548 -12.432 -11.415 691 H GLN 89 H GLN 89 7.938 -7.012 -11.373 692 HA GLN 89 HA GLN 89 9.465 -7.988 -13.577 693 HB2 GLN 89 HB2 GLN 89 7.357 -5.798 -13.797 694 HB3 GLN 89 HB3 GLN 89 7.827 -7.000 -14.988 695 HG2 GLN 89 HG2 GLN 89 6.948 -8.771 -13.360 696 HG3 GLN 89 HG3 GLN 89 6.268 -7.442 -12.425 697 HE21 GLN 89 HE21 GLN 89 6.150 -9.174 -15.497 698 HE22 GLN 89 HE22 GLN 89 4.533 -8.654 -15.956 699 H LYS 90 H LYS 90 9.664 -5.041 -11.796 700 HA LYS 90 HA LYS 90 11.442 -3.735 -13.786 701 HB2 LYS 90 HB2 LYS 90 9.607 -2.552 -11.654 702 HB3 LYS 90 HB3 LYS 90 10.698 -1.624 -12.695 703 HG2 LYS 90 HG2 LYS 90 9.495 -2.484 -14.708 704 HG3 LYS 90 HG3 LYS 90 8.389 -3.381 -13.657 705 HD2 LYS 90 HD2 LYS 90 7.231 -1.490 -14.258 706 HD3 LYS 90 HD3 LYS 90 7.725 -1.188 -12.592 707 HE2 LYS 90 HE2 LYS 90 9.481 0.325 -13.317 708 HE3 LYS 90 HE3 LYS 90 9.303 -0.196 -15.007 709 HZ1 LYS 90 HZ1 LYS 90 7.099 0.764 -15.020 710 HZ2 LYS 90 HZ2 LYS 90 8.202 1.918 -14.652 711 HZ3 LYS 90 HZ3 LYS 90 7.260 1.263 -13.468 712 H GLY 91 H GLY 91 11.855 -5.756 -11.319 713 HA2 GLY 91 HA2 GLY 91 13.268 -4.431 -9.297 714 HA3 GLY 91 HA3 GLY 91 13.567 -6.096 -9.835 715 H THR 92 H THR 92 14.257 -5.495 -12.492 716 HA THR 92 HA THR 92 16.972 -5.110 -12.536 717 HB THR 92 HB THR 92 15.340 -6.189 -14.147 718 HG1 THR 92 HG1 THR 92 17.447 -5.956 -14.746 719 HG21 THR 92 HG21 THR 92 13.781 -4.206 -14.366 720 HG22 THR 92 HG22 THR 92 14.262 -4.952 -15.883 721 HG23 THR 92 HG23 THR 92 15.018 -3.432 -15.384 722 H ILE 93 H ILE 93 14.558 -2.576 -12.285 723 HA ILE 93 HA ILE 93 16.299 -0.480 -13.393 724 HB ILE 93 HB ILE 93 13.530 -0.258 -12.169 725 HG12 ILE 93 HG12 ILE 93 14.368 -0.686 -15.078 726 HG13 ILE 93 HG13 ILE 93 13.362 -1.746 -14.095 727 HG21 ILE 93 HG21 ILE 93 13.414 1.910 -13.244 728 HG22 ILE 93 HG22 ILE 93 14.910 1.877 -12.341 729 HG23 ILE 93 HG23 ILE 93 14.946 1.631 -14.091 730 HD11 ILE 93 HD11 ILE 93 11.634 0.095 -13.990 731 HD12 ILE 93 HD12 ILE 93 12.584 0.952 -15.226 732 HD13 ILE 93 HD13 ILE 93 11.901 -0.641 -15.584 733 H GLU 94 H GLU 94 15.229 -1.887 -10.343 734 HA GLU 94 HA GLU 94 16.222 0.285 -8.680 735 HB2 GLU 94 HB2 GLU 94 15.126 -2.484 -8.019 736 HB3 GLU 94 HB3 GLU 94 15.499 -1.202 -6.848 737 HG2 GLU 94 HG2 GLU 94 13.901 0.296 -8.028 738 HG3 GLU 94 HG3 GLU 94 13.422 -1.045 -9.077 739 H GLY 95 H GLY 95 17.726 -0.150 -6.977 740 HA2 GLY 95 HA2 GLY 95 19.470 -2.204 -6.495 741 HA3 GLY 95 HA3 GLY 95 20.214 -1.289 -7.838 742 H ARG 96 H ARG 96 19.424 1.285 -7.313 743 HA ARG 96 HA ARG 96 21.233 2.127 -5.263 744 HB2 ARG 96 HB2 ARG 96 18.969 3.546 -6.704 745 HB3 ARG 96 HB3 ARG 96 20.052 4.345 -5.579 746 HG2 ARG 96 HG2 ARG 96 20.920 2.912 -8.146 747 HG3 ARG 96 HG3 ARG 96 20.727 4.647 -7.973 748 HD2 ARG 96 HD2 ARG 96 22.785 2.902 -6.564 749 HD3 ARG 96 HD3 ARG 96 23.079 4.095 -7.833 750 HE ARG 96 HE ARG 96 21.832 5.570 -5.899 751 HH11 ARG 96 HH11 ARG 96 24.875 3.660 -5.988 752 HH12 ARG 96 HH12 ARG 96 25.560 4.621 -4.720 753 HH21 ARG 96 HH21 ARG 96 22.876 6.711 -4.126 754 HH22 ARG 96 HH22 ARG 96 24.365 6.065 -3.503 755 H GLY 97 H GLY 97 17.670 1.888 -5.265 756 HA2 GLY 97 HA2 GLY 97 16.944 0.773 -2.991 757 HA3 GLY 97 HA3 GLY 97 17.608 2.290 -2.343 758 H ASN 98 H ASN 98 15.292 2.517 -1.653 759 HA ASN 98 HA ASN 98 13.755 4.125 -3.588 760 HB2 ASN 98 HB2 ASN 98 12.734 1.608 -2.222 761 HB3 ASN 98 HB3 ASN 98 11.652 2.928 -2.644 762 HD21 ASN 98 HD21 ASN 98 12.595 0.005 -3.765 763 HD22 ASN 98 HD22 ASN 98 12.170 0.247 -5.442 764 H GLU 99 H GLU 99 13.567 6.028 -2.435 765 HA GLU 99 HA GLU 99 12.961 5.837 0.463 766 HB2 GLU 99 HB2 GLU 99 14.030 7.921 0.846 767 HB3 GLU 99 HB3 GLU 99 15.149 6.704 0.243 768 HG2 GLU 99 HG2 GLU 99 15.284 7.793 -1.925 769 HG3 GLU 99 HG3 GLU 99 13.991 8.920 -1.503 770 H PHE 100 H PHE 100 10.981 6.205 0.797 771 HA PHE 100 HA PHE 100 9.551 8.394 -0.546 772 HB2 PHE 100 HB2 PHE 100 9.159 6.168 -1.753 773 HB3 PHE 100 HB3 PHE 100 8.291 5.640 -0.325 774 HD1 PHE 100 HD1 PHE 100 7.497 6.207 -3.382 775 HD2 PHE 100 HD2 PHE 100 6.782 8.312 0.333 776 HE1 PHE 100 HE1 PHE 100 5.419 7.145 -4.297 777 HE2 PHE 100 HE2 PHE 100 4.769 9.286 -0.607 778 HZ PHE 100 HZ PHE 100 4.027 8.696 -2.917 779 H LEU 101 H LEU 101 9.529 9.549 1.299 780 HA LEU 101 HA LEU 101 8.629 8.326 3.877 781 HB2 LEU 101 HB2 LEU 101 10.515 10.659 3.349 782 HB3 LEU 101 HB3 LEU 101 9.582 10.488 4.830 783 HG LEU 101 HG LEU 101 10.573 8.090 5.003 784 HD11 LEU 101 HD11 LEU 101 12.635 9.360 3.146 785 HD12 LEU 101 HD12 LEU 101 11.636 7.935 2.787 786 HD13 LEU 101 HD13 LEU 101 12.858 7.856 4.061 787 HD21 LEU 101 HD21 LEU 101 12.261 10.574 5.438 788 HD22 LEU 101 HD22 LEU 101 12.581 8.994 6.178 789 HD23 LEU 101 HD23 LEU 101 11.097 9.874 6.574 790 H SER 102 H SER 102 6.505 8.463 3.501 791 HA SER 102 HA SER 102 5.236 10.653 2.113 792 HB2 SER 102 HB2 SER 102 4.155 8.423 3.875 793 HB3 SER 102 HB3 SER 102 3.193 9.410 2.750 794 HG SER 102 HG SER 102 4.396 7.137 2.276 795 HA PRO 103 HA PRO 103 4.582 13.215 5.742 796 HB2 PRO 103 HB2 PRO 103 2.413 14.709 5.000 797 HB3 PRO 103 HB3 PRO 103 3.974 14.806 4.124 798 HG2 PRO 103 HG2 PRO 103 1.574 13.108 3.369 799 HG3 PRO 103 HG3 PRO 103 2.460 14.299 2.350 800 HD2 PRO 103 HD2 PRO 103 3.089 11.669 2.252 801 HD3 PRO 103 HD3 PRO 103 4.365 12.923 2.209 802 H GLU 104 H GLU 104 2.465 13.873 7.204 803 HA GLU 104 HA GLU 104 1.525 11.566 8.456 804 HB2 GLU 104 HB2 GLU 104 0.379 14.382 8.417 805 HB3 GLU 104 HB3 GLU 104 -0.230 13.084 9.463 806 HG2 GLU 104 HG2 GLU 104 2.188 12.798 10.275 807 HG3 GLU 104 HG3 GLU 104 2.560 14.274 9.377 808 H VAL 105 H VAL 105 0.179 13.024 5.582 809 HA VAL 105 HA VAL 105 -2.429 11.997 5.677 810 HB VAL 105 HB VAL 105 -0.750 12.212 3.148 811 HG11 VAL 105 HG11 VAL 105 -2.953 11.159 2.797 812 HG12 VAL 105 HG12 VAL 105 -3.745 12.476 3.686 813 HG13 VAL 105 HG13 VAL 105 -2.958 12.792 2.122 814 HG21 VAL 105 HG21 VAL 105 -0.519 14.333 4.333 815 HG22 VAL 105 HG22 VAL 105 -1.665 14.549 3.012 816 HG23 VAL 105 HG23 VAL 105 -2.263 14.376 4.674 817 H PHE 106 H PHE 106 0.629 10.314 5.282 818 HA PHE 106 HA PHE 106 -0.205 7.947 4.053 819 HB2 PHE 106 HB2 PHE 106 2.122 8.460 4.481 820 HB3 PHE 106 HB3 PHE 106 1.872 8.466 6.222 821 HD1 PHE 106 HD1 PHE 106 1.054 6.068 3.401 822 HD2 PHE 106 HD2 PHE 106 2.779 6.620 7.312 823 HE1 PHE 106 HE1 PHE 106 1.215 3.622 3.683 824 HE2 PHE 106 HE2 PHE 106 2.911 4.157 7.606 825 HZ PHE 106 HZ PHE 106 2.108 2.641 5.758 826 H GLN 107 H GLN 107 -1.069 9.111 7.272 827 HA GLN 107 HA GLN 107 -1.918 6.405 8.130 828 HB2 GLN 107 HB2 GLN 107 -1.737 9.030 9.632 829 HB3 GLN 107 HB3 GLN 107 -2.595 7.593 10.219 830 HG2 GLN 107 HG2 GLN 107 -0.462 6.245 9.822 831 HG3 GLN 107 HG3 GLN 107 0.355 7.764 9.487 832 HE21 GLN 107 HE21 GLN 107 -2.094 6.987 12.108 833 HE22 GLN 107 HE22 GLN 107 -0.939 7.183 13.404 834 H HIS 108 H HIS 108 -3.222 9.438 6.933 835 HA HIS 108 HA HIS 108 -5.898 9.195 7.675 836 HB2 HIS 108 HB2 HIS 108 -4.699 10.547 5.236 837 HB3 HIS 108 HB3 HIS 108 -6.352 10.729 5.775 838 HD1 HIS 108 HD1 HIS 108 -6.485 13.129 6.556 839 HD2 HIS 108 HD2 HIS 108 -3.151 11.057 8.076 840 HE1 HIS 108 HE1 HIS 108 -5.266 14.743 8.110 841 H ILE 109 H ILE 109 -4.354 7.353 5.067 842 HA ILE 109 HA ILE 109 -6.850 6.945 3.616 843 HB ILE 109 HB ILE 109 -4.133 5.574 3.396 844 HG12 ILE 109 HG12 ILE 109 -4.259 6.583 1.079 845 HG13 ILE 109 HG13 ILE 109 -5.661 7.510 1.632 846 HG21 ILE 109 HG21 ILE 109 -6.592 4.995 1.736 847 HG22 ILE 109 HG22 ILE 109 -4.943 4.396 1.454 848 HG23 ILE 109 HG23 ILE 109 -5.810 3.891 2.886 849 HD11 ILE 109 HD11 ILE 109 -3.454 8.719 1.565 850 HD12 ILE 109 HD12 ILE 109 -4.332 8.836 3.086 851 HD13 ILE 109 HD13 ILE 109 -2.940 7.731 2.945 852 H TRP 110 H TRP 110 -4.898 5.233 6.013 853 HA TRP 110 HA TRP 110 -6.557 2.938 6.114 854 HB2 TRP 110 HB2 TRP 110 -4.809 3.900 8.400 855 HB3 TRP 110 HB3 TRP 110 -5.260 2.247 8.000 856 HD1 TRP 110 HD1 TRP 110 -2.392 4.224 7.986 857 HE1 TRP 110 HE1 TRP 110 -0.654 3.675 6.216 858 HE3 TRP 110 HE3 TRP 110 -5.350 1.419 4.926 859 HZ2 TRP 110 HZ2 TRP 110 -0.612 2.226 3.698 860 HZ3 TRP 110 HZ3 TRP 110 -4.453 0.483 2.837 861 HH2 TRP 110 HH2 TRP 110 -2.063 0.843 2.211 862 H ASP 111 H ASP 111 -6.622 6.038 7.667 863 HA ASP 111 HA ASP 111 -8.431 5.524 9.792 864 HB2 ASP 111 HB2 ASP 111 -7.007 7.497 9.621 865 HB3 ASP 111 HB3 ASP 111 -7.814 7.995 8.146 866 H PHE 112 H PHE 112 -9.034 6.617 6.381 867 HA PHE 112 HA PHE 112 -11.899 6.516 6.850 868 HB2 PHE 112 HB2 PHE 112 -12.248 7.315 4.733 869 HB3 PHE 112 HB3 PHE 112 -10.743 8.065 5.183 870 HD1 PHE 112 HD1 PHE 112 -12.186 5.182 3.252 871 HD2 PHE 112 HD2 PHE 112 -8.895 7.909 3.677 872 HE1 PHE 112 HE1 PHE 112 -11.093 4.135 1.318 873 HE2 PHE 112 HE2 PHE 112 -7.895 6.992 1.598 874 HZ PHE 112 HZ PHE 112 -8.934 5.032 0.466 875 H LEU 113 H LEU 113 -9.518 4.165 5.826 876 HA LEU 113 HA LEU 113 -11.049 2.412 4.336 877 HB2 LEU 113 HB2 LEU 113 -9.369 0.988 4.450 878 HB3 LEU 113 HB3 LEU 113 -8.534 2.312 5.200 879 HG LEU 113 HG LEU 113 -9.215 1.181 7.488 880 HD11 LEU 113 HD11 LEU 113 -9.740 -1.075 5.523 881 HD12 LEU 113 HD12 LEU 113 -10.772 -0.503 6.864 882 HD13 LEU 113 HD13 LEU 113 -9.305 -1.373 7.215 883 HD21 LEU 113 HD21 LEU 113 -7.303 -0.547 7.139 884 HD22 LEU 113 HD22 LEU 113 -6.926 1.118 6.875 885 HD23 LEU 113 HD23 LEU 113 -7.231 0.081 5.471 886 H GLU 114 H GLU 114 -11.180 2.804 7.862 887 HA GLU 114 HA GLU 114 -13.444 0.873 7.896 888 HB2 GLU 114 HB2 GLU 114 -12.846 0.239 10.117 889 HB3 GLU 114 HB3 GLU 114 -11.451 0.077 9.063 890 HG2 GLU 114 HG2 GLU 114 -10.660 2.354 9.943 891 HG3 GLU 114 HG3 GLU 114 -11.947 2.239 11.151 892 H GLN 115 H GLN 115 -13.214 4.091 7.661 893 HA GLN 115 HA GLN 115 -15.515 4.514 9.510 894 HB2 GLN 115 HB2 GLN 115 -13.288 5.336 10.429 895 HB3 GLN 115 HB3 GLN 115 -13.219 6.466 9.074 896 HG2 GLN 115 HG2 GLN 115 -15.348 7.477 9.796 897 HG3 GLN 115 HG3 GLN 115 -15.458 6.336 11.144 898 HE21 GLN 115 HE21 GLN 115 -15.414 9.251 11.253 899 HE22 GLN 115 HE22 GLN 115 -14.004 9.695 12.218 900 HA PRO 116 HA PRO 116 -17.101 6.293 5.693 901 HB2 PRO 116 HB2 PRO 116 -19.409 7.464 6.558 902 HB3 PRO 116 HB3 PRO 116 -19.220 5.690 6.401 903 HG2 PRO 116 HG2 PRO 116 -19.000 7.381 8.896 904 HG3 PRO 116 HG3 PRO 116 -19.838 5.815 8.678 905 HD2 PRO 116 HD2 PRO 116 -17.315 6.049 9.763 906 HD3 PRO 116 HD3 PRO 116 -17.834 4.616 8.831 907 H ILE 117 H ILE 117 -15.858 7.908 4.999 908 HA ILE 117 HA ILE 117 -16.015 10.619 6.025 909 HB ILE 117 HB ILE 117 -13.317 9.207 5.739 910 HG12 ILE 117 HG12 ILE 117 -14.554 10.220 8.338 911 HG13 ILE 117 HG13 ILE 117 -14.415 8.523 7.865 912 HG21 ILE 117 HG21 ILE 117 -13.964 12.052 6.638 913 HG22 ILE 117 HG22 ILE 117 -12.339 11.348 6.510 914 HG23 ILE 117 HG23 ILE 117 -13.276 11.598 5.063 915 HD11 ILE 117 HD11 ILE 117 -12.098 10.379 8.456 916 HD12 ILE 117 HD12 ILE 117 -12.617 8.957 9.353 917 HD13 ILE 117 HD13 ILE 117 -11.936 8.757 7.737 918 H SER 118 H SER 118 -15.678 12.014 4.191 919 HA SER 118 HA SER 118 -14.810 10.781 1.641 920 HB2 SER 118 HB2 SER 118 -17.386 10.928 1.962 921 HB3 SER 118 HB3 SER 118 -17.160 12.677 1.769 922 HG SER 118 HG SER 118 -17.546 11.731 -0.217 923 H SER 119 H SER 119 -12.831 11.717 2.372 924 HA SER 119 HA SER 119 -12.633 14.623 1.801 925 HB2 SER 119 HB2 SER 119 -11.191 13.090 3.987 926 HB3 SER 119 HB3 SER 119 -11.003 14.818 3.602 927 HG SER 119 HG SER 119 -12.597 14.307 5.328 928 H VAL 120 H VAL 120 -12.427 12.762 -0.197 929 HA VAL 120 HA VAL 120 -9.586 13.010 -0.953 930 HB VAL 120 HB VAL 120 -11.129 10.397 -1.260 931 HG11 VAL 120 HG11 VAL 120 -8.239 11.105 -1.957 932 HG12 VAL 120 HG12 VAL 120 -9.052 9.545 -2.216 933 HG13 VAL 120 HG13 VAL 120 -9.559 10.946 -3.139 934 HG21 VAL 120 HG21 VAL 120 -8.766 11.061 0.549 935 HG22 VAL 120 HG22 VAL 120 -10.401 10.614 1.073 936 HG23 VAL 120 HG23 VAL 120 -9.397 9.431 0.245 937 H GLN 121 H GLN 121 -10.111 14.649 -2.336 938 HA GLN 121 HA GLN 121 -11.652 13.995 -4.756 939 HB2 GLN 121 HB2 GLN 121 -12.829 16.237 -4.532 940 HB3 GLN 121 HB3 GLN 121 -13.442 14.893 -3.570 941 HG2 GLN 121 HG2 GLN 121 -12.592 15.752 -1.566 942 HG3 GLN 121 HG3 GLN 121 -11.476 16.864 -2.369 943 HE21 GLN 121 HE21 GLN 121 -12.122 18.924 -1.920 944 HE22 GLN 121 HE22 GLN 121 -13.755 19.515 -2.117 945 HA PRO 122 HA PRO 122 -7.667 16.375 -5.222 946 HB2 PRO 122 HB2 PRO 122 -6.583 14.842 -7.228 947 HB3 PRO 122 HB3 PRO 122 -6.387 14.479 -5.483 948 HG2 PRO 122 HG2 PRO 122 -8.352 13.285 -7.454 949 HG3 PRO 122 HG3 PRO 122 -7.361 12.435 -6.238 950 HD2 PRO 122 HD2 PRO 122 -9.975 13.061 -5.806 951 HD3 PRO 122 HD3 PRO 122 -8.770 13.109 -4.479 952 H ILE 123 H ILE 123 -8.179 18.240 -6.295 953 HA ILE 123 HA ILE 123 -9.626 18.059 -8.876 954 HB ILE 123 HB ILE 123 -9.995 20.394 -8.750 955 HG12 ILE 123 HG12 ILE 123 -8.499 20.534 -6.110 956 HG13 ILE 123 HG13 ILE 123 -7.818 21.052 -7.647 957 HG21 ILE 123 HG21 ILE 123 -10.603 19.151 -6.037 958 HG22 ILE 123 HG22 ILE 123 -11.536 20.411 -6.892 959 HG23 ILE 123 HG23 ILE 123 -11.467 18.771 -7.543 960 HD11 ILE 123 HD11 ILE 123 -8.659 22.976 -6.460 961 HD12 ILE 123 HD12 ILE 123 -9.635 22.712 -7.920 962 HD13 ILE 123 HD13 ILE 123 -10.270 22.254 -6.320 963 H ASP 124 H ASP 124 -6.373 18.335 -7.807 964 HA ASP 124 HA ASP 124 -5.499 19.135 -10.560 965 HB2 ASP 124 HB2 ASP 124 -4.374 19.978 -7.862 966 HB3 ASP 124 HB3 ASP 124 -3.458 20.073 -9.369 Start of MODEL 9 1 H1 ALA 1 H ALA 1 23.386 0.020 15.494 2 HA ALA 1 HA ALA 1 22.116 -0.716 13.490 3 HB1 ALA 1 HB1 ALA 1 22.036 -2.064 15.548 4 HB2 ALA 1 HB2 ALA 1 20.666 -1.113 16.145 5 HB3 ALA 1 HB3 ALA 1 20.492 -2.101 14.682 6 H THR 2 H THR 2 19.407 0.336 15.607 7 HA THR 2 HA THR 2 17.862 1.338 13.416 8 HB THR 2 HB THR 2 16.292 1.732 15.395 9 HG1 THR 2 HG1 THR 2 17.731 2.147 16.979 10 HG21 THR 2 HG21 THR 2 15.936 -0.589 15.914 11 HG22 THR 2 HG22 THR 2 17.597 -1.025 15.465 12 HG23 THR 2 HG23 THR 2 16.443 -0.501 14.219 13 H GLN 3 H GLN 3 19.883 2.872 12.967 14 HA GLN 3 HA GLN 3 19.725 5.352 14.585 15 HB2 GLN 3 HB2 GLN 3 21.768 4.393 12.587 16 HB3 GLN 3 HB3 GLN 3 21.824 5.914 13.457 17 HG2 GLN 3 HG2 GLN 3 21.836 3.162 14.761 18 HG3 GLN 3 HG3 GLN 3 23.260 4.134 14.453 19 HE21 GLN 3 HE21 GLN 3 23.275 6.355 15.422 20 HE22 GLN 3 HE22 GLN 3 22.793 6.371 17.122 21 H SER 4 H SER 4 18.294 4.253 11.640 22 HA SER 4 HA SER 4 18.155 7.093 10.728 23 HB2 SER 4 HB2 SER 4 17.906 6.364 8.515 24 HB3 SER 4 HB3 SER 4 19.279 5.468 9.156 25 HG SER 4 HG SER 4 17.946 3.641 9.359 26 HA PRO 5 HA PRO 5 13.865 6.850 11.689 27 HB2 PRO 5 HB2 PRO 5 12.661 8.541 9.915 28 HB3 PRO 5 HB3 PRO 5 13.714 9.091 11.243 29 HG2 PRO 5 HG2 PRO 5 14.459 8.696 8.341 30 HG3 PRO 5 HG3 PRO 5 14.851 10.076 9.425 31 HD2 PRO 5 HD2 PRO 5 16.589 8.026 8.917 32 HD3 PRO 5 HD3 PRO 5 16.557 8.881 10.490 33 H GLY 6 H GLY 6 14.882 6.212 8.289 34 HA2 GLY 6 HA2 GLY 6 12.503 4.962 7.405 35 HA3 GLY 6 HA3 GLY 6 14.134 4.663 6.773 36 H ASP 7 H ASP 7 15.089 3.839 9.548 37 HA ASP 7 HA ASP 7 14.395 1.021 9.330 38 HB2 ASP 7 HB2 ASP 7 16.095 2.486 11.386 39 HB3 ASP 7 HB3 ASP 7 15.867 0.744 11.332 40 H SER 8 H SER 8 13.360 3.782 11.423 41 HA SER 8 HA SER 8 11.884 1.912 13.176 42 HB2 SER 8 HB2 SER 8 11.150 4.115 14.239 43 HB3 SER 8 HB3 SER 8 12.819 3.590 14.438 44 HG SER 8 HG SER 8 12.688 5.793 13.888 45 H ARG 9 H ARG 9 11.417 3.813 10.295 46 HA ARG 9 HA ARG 9 8.596 4.102 10.350 47 HB2 ARG 9 HB2 ARG 9 10.400 5.070 8.674 48 HB3 ARG 9 HB3 ARG 9 10.251 3.497 7.843 49 HG2 ARG 9 HG2 ARG 9 8.848 4.987 6.706 50 HG3 ARG 9 HG3 ARG 9 7.780 3.941 7.652 51 HD2 ARG 9 HD2 ARG 9 7.466 5.732 9.323 52 HD3 ARG 9 HD3 ARG 9 8.586 6.762 8.418 53 HE ARG 9 HE ARG 9 7.099 6.978 6.671 54 HH11 ARG 9 HH11 ARG 9 5.547 5.285 9.369 55 HH12 ARG 9 HH12 ARG 9 3.974 5.293 8.691 56 HH21 ARG 9 HH21 ARG 9 5.009 7.100 5.784 57 HH22 ARG 9 HH22 ARG 9 3.638 6.577 6.708 58 H ARG 10 H ARG 10 10.697 1.460 9.396 59 HA ARG 10 HA ARG 10 9.058 -0.176 7.960 60 HB2 ARG 10 HB2 ARG 10 10.762 -1.724 8.173 61 HB3 ARG 10 HB3 ARG 10 11.583 -0.278 8.663 62 HG2 ARG 10 HG2 ARG 10 11.124 -1.009 11.093 63 HG3 ARG 10 HG3 ARG 10 10.530 -2.532 10.401 64 HD2 ARG 10 HD2 ARG 10 12.680 -2.883 9.261 65 HD3 ARG 10 HD3 ARG 10 13.282 -1.350 9.908 66 HE ARG 10 HE ARG 10 12.369 -3.216 11.942 67 HH11 ARG 10 HH11 ARG 10 15.092 -2.337 9.844 68 HH12 ARG 10 HH12 ARG 10 16.265 -3.303 10.659 69 HH21 ARG 10 HH21 ARG 10 14.006 -4.425 13.175 70 HH22 ARG 10 HH22 ARG 10 15.611 -4.549 12.564 71 H LEU 11 H LEU 11 9.167 -0.183 11.551 72 HA LEU 11 HA LEU 11 7.358 -2.301 11.824 73 HB2 LEU 11 HB2 LEU 11 7.196 -1.750 14.102 74 HB3 LEU 11 HB3 LEU 11 8.815 -1.321 13.597 75 HG LEU 11 HG LEU 11 7.569 1.106 13.250 76 HD11 LEU 11 HD11 LEU 11 6.123 1.515 15.218 77 HD12 LEU 11 HD12 LEU 11 6.166 -0.224 15.600 78 HD13 LEU 11 HD13 LEU 11 5.376 0.340 14.134 79 HD21 LEU 11 HD21 LEU 11 8.728 0.086 15.855 80 HD22 LEU 11 HD22 LEU 11 8.529 1.782 15.368 81 HD23 LEU 11 HD23 LEU 11 9.644 0.734 14.483 82 H SER 12 H SER 12 6.674 1.128 11.365 83 HA SER 12 HA SER 12 3.836 1.017 11.896 84 HB2 SER 12 HB2 SER 12 5.038 3.036 12.326 85 HB3 SER 12 HB3 SER 12 5.784 3.037 10.728 86 HG SER 12 HG SER 12 3.012 3.456 11.260 87 H ILE 13 H ILE 13 5.866 1.259 8.893 88 HA ILE 13 HA ILE 13 3.685 1.058 7.112 89 HB ILE 13 HB ILE 13 6.614 0.336 6.775 90 HG12 ILE 13 HG12 ILE 13 5.008 2.615 5.542 91 HG13 ILE 13 HG13 ILE 13 5.826 2.781 7.093 92 HG21 ILE 13 HG21 ILE 13 4.364 0.190 4.808 93 HG22 ILE 13 HG22 ILE 13 6.054 0.324 4.280 94 HG23 ILE 13 HG23 ILE 13 5.537 -1.058 5.239 95 HD11 ILE 13 HD11 ILE 13 7.225 2.128 4.459 96 HD12 ILE 13 HD12 ILE 13 7.211 3.682 5.286 97 HD13 ILE 13 HD13 ILE 13 8.010 2.275 6.029 98 H GLN 14 H GLN 14 5.563 -1.551 8.729 99 HA GLN 14 HA GLN 14 4.409 -3.748 7.450 100 HB2 GLN 14 HB2 GLN 14 5.716 -3.214 10.081 101 HB3 GLN 14 HB3 GLN 14 4.690 -4.625 10.071 102 HG2 GLN 14 HG2 GLN 14 6.757 -4.148 7.904 103 HG3 GLN 14 HG3 GLN 14 7.203 -4.859 9.432 104 HE21 GLN 14 HE21 GLN 14 4.739 -6.579 9.769 105 HE22 GLN 14 HE22 GLN 14 4.804 -7.744 8.480 106 H ARG 15 H ARG 15 2.963 -1.770 10.136 107 HA ARG 15 HA ARG 15 0.832 -3.616 10.646 108 HB2 ARG 15 HB2 ARG 15 1.411 -1.743 12.186 109 HB3 ARG 15 HB3 ARG 15 0.946 -0.582 10.954 110 HG2 ARG 15 HG2 ARG 15 -0.779 -0.731 12.577 111 HG3 ARG 15 HG3 ARG 15 -1.389 -1.327 11.048 112 HD2 ARG 15 HD2 ARG 15 -1.151 -3.673 11.899 113 HD3 ARG 15 HD3 ARG 15 -0.548 -3.021 13.444 114 HE ARG 15 HE ARG 15 -3.094 -1.889 12.593 115 HH11 ARG 15 HH11 ARG 15 -1.797 -4.701 14.473 116 HH12 ARG 15 HH12 ARG 15 -3.270 -4.826 15.355 117 HH21 ARG 15 HH21 ARG 15 -4.904 -2.153 13.730 118 HH22 ARG 15 HH22 ARG 15 -5.071 -3.318 14.993 119 H ALA 16 H ALA 16 1.220 -0.954 8.280 120 HA ALA 16 HA ALA 16 -1.465 -1.023 7.333 121 HB1 ALA 16 HB1 ALA 16 0.036 0.882 6.936 122 HB2 ALA 16 HB2 ALA 16 1.045 -0.121 5.872 123 HB3 ALA 16 HB3 ALA 16 -0.628 0.221 5.429 124 H ILE 17 H ILE 17 1.546 -2.264 5.879 125 HA ILE 17 HA ILE 17 0.421 -3.760 3.872 126 HB ILE 17 HB ILE 17 3.078 -4.098 5.245 127 HG12 ILE 17 HG12 ILE 17 2.222 -2.518 2.766 128 HG13 ILE 17 HG13 ILE 17 2.671 -1.828 4.325 129 HG21 ILE 17 HG21 ILE 17 2.530 -6.110 3.885 130 HG22 ILE 17 HG22 ILE 17 2.184 -5.071 2.487 131 HG23 ILE 17 HG23 ILE 17 3.832 -5.209 3.137 132 HD11 ILE 17 HD11 ILE 17 4.553 -1.558 2.912 133 HD12 ILE 17 HD12 ILE 17 4.947 -2.866 4.048 134 HD13 ILE 17 HD13 ILE 17 4.482 -3.214 2.376 135 H GLN 18 H GLN 18 0.915 -4.908 7.244 136 HA GLN 18 HA GLN 18 0.663 -7.661 6.831 137 HB2 GLN 18 HB2 GLN 18 -0.120 -5.783 9.073 138 HB3 GLN 18 HB3 GLN 18 -0.772 -7.413 9.104 139 HG2 GLN 18 HG2 GLN 18 1.509 -8.369 8.972 140 HG3 GLN 18 HG3 GLN 18 2.189 -6.741 9.049 141 HE21 GLN 18 HE21 GLN 18 0.147 -9.133 10.819 142 HE22 GLN 18 HE22 GLN 18 0.383 -8.460 12.397 143 H SER 19 H SER 19 -1.886 -5.180 6.869 144 HA SER 19 HA SER 19 -3.989 -7.223 6.675 145 HB2 SER 19 HB2 SER 19 -4.345 -4.259 6.313 146 HB3 SER 19 HB3 SER 19 -5.532 -5.460 6.849 147 HG SER 19 HG SER 19 -4.036 -5.773 8.700 148 H LEU 20 H LEU 20 -2.285 -4.924 4.527 149 HA LEU 20 HA LEU 20 -3.904 -5.147 2.240 150 HB2 LEU 20 HB2 LEU 20 -2.213 -3.423 2.464 151 HB3 LEU 20 HB3 LEU 20 -0.944 -4.632 2.616 152 HG LEU 20 HG LEU 20 -1.287 -5.321 0.245 153 HD11 LEU 20 HD11 LEU 20 -2.499 -3.819 -1.259 154 HD12 LEU 20 HD12 LEU 20 -3.051 -2.842 0.114 155 HD13 LEU 20 HD13 LEU 20 -3.613 -4.523 -0.081 156 HD21 LEU 20 HD21 LEU 20 0.496 -3.774 0.923 157 HD22 LEU 20 HD22 LEU 20 -0.598 -2.396 0.717 158 HD23 LEU 20 HD23 LEU 20 -0.111 -3.388 -0.678 159 H VAL 21 H VAL 21 -0.884 -6.961 3.059 160 HA VAL 21 HA VAL 21 -0.712 -8.559 0.751 161 HB VAL 21 HB VAL 21 0.111 -8.991 3.649 162 HG11 VAL 21 HG11 VAL 21 0.766 -10.782 1.273 163 HG12 VAL 21 HG12 VAL 21 1.624 -10.819 2.820 164 HG13 VAL 21 HG13 VAL 21 -0.084 -11.250 2.747 165 HG21 VAL 21 HG21 VAL 21 2.247 -8.286 2.965 166 HG22 VAL 21 HG22 VAL 21 1.920 -8.568 1.257 167 HG23 VAL 21 HG23 VAL 21 1.179 -7.189 2.094 168 H HIS 22 H HIS 22 -2.264 -9.356 3.891 169 HA HIS 22 HA HIS 22 -3.389 -11.793 3.077 170 HB2 HIS 22 HB2 HIS 22 -3.171 -11.178 5.388 171 HB3 HIS 22 HB3 HIS 22 -4.204 -9.765 5.164 172 HD1 HIS 22 HD1 HIS 22 -4.558 -13.653 5.115 173 HD2 HIS 22 HD2 HIS 22 -6.783 -10.072 5.107 174 HE1 HIS 22 HE1 HIS 22 -6.994 -14.299 5.323 175 H ALA 23 H ALA 23 -4.790 -8.434 2.956 176 HA ALA 23 HA ALA 23 -7.317 -9.251 1.993 177 HB1 ALA 23 HB1 ALA 23 -6.880 -7.060 3.008 178 HB2 ALA 23 HB2 ALA 23 -5.888 -6.593 1.603 179 HB3 ALA 23 HB3 ALA 23 -7.630 -6.898 1.408 180 H ALA 24 H ALA 24 -4.259 -8.889 0.280 181 HA ALA 24 HA ALA 24 -5.457 -8.670 -2.346 182 HB1 ALA 24 HB1 ALA 24 -3.099 -7.931 -1.721 183 HB2 ALA 24 HB2 ALA 24 -2.656 -9.634 -1.570 184 HB3 ALA 24 HB3 ALA 24 -3.180 -9.006 -3.139 185 H GLN 25 H GLN 25 -4.219 -11.283 -0.269 186 HA GLN 25 HA GLN 25 -4.963 -13.384 -2.214 187 HB2 GLN 25 HB2 GLN 25 -3.577 -14.862 -0.925 188 HB3 GLN 25 HB3 GLN 25 -2.697 -13.386 -1.278 189 HG2 GLN 25 HG2 GLN 25 -3.424 -12.586 1.055 190 HG3 GLN 25 HG3 GLN 25 -3.882 -14.232 1.386 191 HE21 GLN 25 HE21 GLN 25 -1.313 -15.044 -0.428 192 HE22 GLN 25 HE22 GLN 25 -0.010 -14.748 0.690 193 H CYS 26 H CYS 26 -7.149 -11.896 -0.731 194 HA CYS 26 HA CYS 26 -8.184 -14.081 1.007 195 HB2 CYS 26 HB2 CYS 26 -7.931 -12.088 2.166 196 HB3 CYS 26 HB3 CYS 26 -8.575 -11.112 0.882 197 H ARG 27 H ARG 27 -8.787 -15.417 -0.784 198 HA ARG 27 HA ARG 27 -11.333 -14.663 -2.043 199 HB2 ARG 27 HB2 ARG 27 -8.966 -15.677 -3.712 200 HB3 ARG 27 HB3 ARG 27 -10.623 -15.482 -4.266 201 HG2 ARG 27 HG2 ARG 27 -10.375 -12.980 -3.752 202 HG3 ARG 27 HG3 ARG 27 -8.661 -13.300 -3.444 203 HD2 ARG 27 HD2 ARG 27 -8.805 -12.554 -5.703 204 HD3 ARG 27 HD3 ARG 27 -8.519 -14.299 -5.760 205 HE ARG 27 HE ARG 27 -11.337 -13.718 -5.740 206 HH11 ARG 27 HH11 ARG 27 -8.492 -13.980 -7.925 207 HH12 ARG 27 HH12 ARG 27 -9.495 -14.381 -9.291 208 HH21 ARG 27 HH21 ARG 27 -12.581 -14.138 -7.668 209 HH22 ARG 27 HH22 ARG 27 -11.738 -14.635 -9.109 210 H ASN 28 H ASN 28 -11.772 -16.105 -0.216 211 HA ASN 28 HA ASN 28 -12.059 -18.893 -1.030 212 HB2 ASN 28 HB2 ASN 28 -9.669 -18.570 -0.045 213 HB3 ASN 28 HB3 ASN 28 -10.455 -18.109 1.458 214 HD21 ASN 28 HD21 ASN 28 -10.185 -20.767 -0.962 215 HD22 ASN 28 HD22 ASN 28 -10.419 -22.045 0.209 216 H ALA 29 H ALA 29 -13.074 -20.011 1.156 217 HA ALA 29 HA ALA 29 -15.170 -18.123 2.117 218 HB1 ALA 29 HB1 ALA 29 -16.110 -20.035 1.054 219 HB2 ALA 29 HB2 ALA 29 -15.073 -21.157 1.976 220 HB3 ALA 29 HB3 ALA 29 -16.347 -20.225 2.794 221 H ASN 30 H ASN 30 -12.639 -20.394 3.222 222 HA ASN 30 HA ASN 30 -13.320 -20.237 6.015 223 HB2 ASN 30 HB2 ASN 30 -10.655 -20.894 4.692 224 HB3 ASN 30 HB3 ASN 30 -11.034 -21.106 6.397 225 HD21 ASN 30 HD21 ASN 30 -10.633 -22.960 3.770 226 HD22 ASN 30 HD22 ASN 30 -11.962 -24.081 3.876 227 H CYS 31 H CYS 31 -11.050 -18.449 3.911 228 HA CYS 31 HA CYS 31 -9.723 -16.918 5.869 229 HB2 CYS 31 HB2 CYS 31 -9.042 -17.013 3.510 230 HB3 CYS 31 HB3 CYS 31 -10.587 -16.286 3.014 231 H SER 32 H SER 32 -10.689 -15.814 7.407 232 HA SER 32 HA SER 32 -12.770 -13.857 6.798 233 HB2 SER 32 HB2 SER 32 -13.986 -14.685 8.941 234 HB3 SER 32 HB3 SER 32 -14.263 -15.462 7.373 235 HG SER 32 HG SER 32 -12.772 -17.089 7.950 236 H LEU 33 H LEU 33 -11.424 -12.113 7.207 237 HA LEU 33 HA LEU 33 -10.359 -11.938 9.981 238 HB2 LEU 33 HB2 LEU 33 -8.966 -11.492 7.362 239 HB3 LEU 33 HB3 LEU 33 -8.664 -10.321 8.633 240 HG LEU 33 HG LEU 33 -8.119 -12.299 10.183 241 HD11 LEU 33 HD11 LEU 33 -8.282 -13.724 7.497 242 HD12 LEU 33 HD12 LEU 33 -8.872 -14.246 9.084 243 HD13 LEU 33 HD13 LEU 33 -7.153 -14.271 8.740 244 HD21 LEU 33 HD21 LEU 33 -6.276 -11.858 7.815 245 HD22 LEU 33 HD22 LEU 33 -5.832 -12.357 9.454 246 HD23 LEU 33 HD23 LEU 33 -6.462 -10.731 9.170 247 HA PRO 34 HA PRO 34 -13.122 -8.457 9.871 248 HB2 PRO 34 HB2 PRO 34 -12.381 -7.102 12.146 249 HB3 PRO 34 HB3 PRO 34 -13.270 -8.648 12.151 250 HG2 PRO 34 HG2 PRO 34 -10.275 -8.235 12.435 251 HG3 PRO 34 HG3 PRO 34 -11.363 -9.204 13.485 252 HD2 PRO 34 HD2 PRO 34 -9.914 -10.359 11.514 253 HD3 PRO 34 HD3 PRO 34 -11.595 -10.889 11.831 254 H SER 35 H SER 35 -9.608 -7.979 9.873 255 HA SER 35 HA SER 35 -9.678 -5.134 9.263 256 HB2 SER 35 HB2 SER 35 -7.203 -5.813 8.638 257 HB3 SER 35 HB3 SER 35 -7.719 -5.786 10.313 258 HG SER 35 HG SER 35 -7.029 -7.927 8.690 259 H CYS 36 H CYS 36 -9.216 -8.196 7.587 260 HA CYS 36 HA CYS 36 -8.637 -7.459 5.017 261 HB2 CYS 36 HB2 CYS 36 -8.698 -9.739 6.157 262 HB3 CYS 36 HB3 CYS 36 -10.429 -9.798 5.821 263 H GLN 37 H GLN 37 -11.925 -8.056 6.343 264 HA GLN 37 HA GLN 37 -13.331 -7.560 3.949 265 HB2 GLN 37 HB2 GLN 37 -14.176 -7.049 6.848 266 HB3 GLN 37 HB3 GLN 37 -15.289 -7.026 5.475 267 HG2 GLN 37 HG2 GLN 37 -14.781 -9.383 4.971 268 HG3 GLN 37 HG3 GLN 37 -13.621 -9.448 6.301 269 HE21 GLN 37 HE21 GLN 37 -16.813 -10.188 5.507 270 HE22 GLN 37 HE22 GLN 37 -17.491 -10.191 7.110 271 H LYS 38 H LYS 38 -12.239 -5.158 6.391 272 HA LYS 38 HA LYS 38 -13.495 -2.927 4.954 273 HB2 LYS 38 HB2 LYS 38 -11.333 -3.019 7.092 274 HB3 LYS 38 HB3 LYS 38 -12.139 -1.562 6.477 275 HG2 LYS 38 HG2 LYS 38 -14.239 -2.143 7.390 276 HG3 LYS 38 HG3 LYS 38 -13.763 -3.824 7.707 277 HD2 LYS 38 HD2 LYS 38 -12.208 -3.172 9.411 278 HD3 LYS 38 HD3 LYS 38 -12.411 -1.462 9.028 279 HE2 LYS 38 HE2 LYS 38 -14.759 -1.521 9.758 280 HE3 LYS 38 HE3 LYS 38 -14.652 -3.271 10.032 281 HZ1 LYS 38 HZ1 LYS 38 -13.112 -1.227 11.542 282 HZ2 LYS 38 HZ2 LYS 38 -13.080 -2.873 11.776 283 HZ3 LYS 38 HZ3 LYS 38 -14.429 -1.973 12.068 284 H MET 39 H MET 39 -10.264 -4.486 5.002 285 HA MET 39 HA MET 39 -8.931 -2.543 3.425 286 HB2 MET 39 HB2 MET 39 -8.508 -5.536 3.723 287 HB3 MET 39 HB3 MET 39 -7.506 -4.573 2.652 288 HG2 MET 39 HG2 MET 39 -7.722 -3.792 5.559 289 HG3 MET 39 HG3 MET 39 -6.749 -5.154 5.054 290 HE1 MET 39 HE1 MET 39 -7.271 -1.272 4.461 291 HE2 MET 39 HE2 MET 39 -5.754 -0.829 3.642 292 HE3 MET 39 HE3 MET 39 -6.982 -1.758 2.767 293 H LYS 40 H LYS 40 -11.090 -5.209 2.477 294 HA LYS 40 HA LYS 40 -10.534 -5.298 -0.266 295 HB2 LYS 40 HB2 LYS 40 -12.854 -6.008 1.437 296 HB3 LYS 40 HB3 LYS 40 -13.274 -5.623 -0.233 297 HG2 LYS 40 HG2 LYS 40 -12.924 -7.967 -0.183 298 HG3 LYS 40 HG3 LYS 40 -11.524 -7.269 -1.011 299 HD2 LYS 40 HD2 LYS 40 -10.264 -7.413 1.199 300 HD3 LYS 40 HD3 LYS 40 -11.684 -8.145 1.900 301 HE2 LYS 40 HE2 LYS 40 -9.914 -9.757 1.359 302 HE3 LYS 40 HE3 LYS 40 -11.432 -10.176 0.617 303 HZ1 LYS 40 HZ1 LYS 40 -9.097 -9.073 -0.793 304 HZ2 LYS 40 HZ2 LYS 40 -10.597 -9.333 -1.494 305 HZ3 LYS 40 HZ3 LYS 40 -9.739 -10.545 -0.899 306 H ARG 41 H ARG 41 -12.412 -2.800 1.473 307 HA ARG 41 HA ARG 41 -13.498 -1.486 -0.777 308 HB2 ARG 41 HB2 ARG 41 -14.060 -0.996 1.595 309 HB3 ARG 41 HB3 ARG 41 -12.452 -0.314 1.848 310 HG2 ARG 41 HG2 ARG 41 -12.931 1.454 0.184 311 HG3 ARG 41 HG3 ARG 41 -14.567 0.808 -0.030 312 HD2 ARG 41 HD2 ARG 41 -13.364 1.868 2.576 313 HD3 ARG 41 HD3 ARG 41 -14.413 2.795 1.502 314 HE ARG 41 HE ARG 41 -15.137 0.760 3.437 315 HH11 ARG 41 HH11 ARG 41 -16.291 2.406 0.470 316 HH12 ARG 41 HH12 ARG 41 -17.951 2.009 0.749 317 HH21 ARG 41 HH21 ARG 41 -17.356 0.754 4.009 318 HH22 ARG 41 HH22 ARG 41 -18.579 0.951 2.779 319 H VAL 42 H VAL 42 -10.353 -0.965 0.853 320 HA VAL 42 HA VAL 42 -9.401 1.017 -0.945 321 HB VAL 42 HB VAL 42 -7.633 -0.739 0.787 322 HG11 VAL 42 HG11 VAL 42 -6.657 1.067 -0.638 323 HG12 VAL 42 HG12 VAL 42 -7.644 2.260 0.225 324 HG13 VAL 42 HG13 VAL 42 -6.397 1.341 1.097 325 HG21 VAL 42 HG21 VAL 42 -9.451 -0.238 2.340 326 HG22 VAL 42 HG22 VAL 42 -8.105 0.831 2.713 327 HG23 VAL 42 HG23 VAL 42 -9.495 1.463 1.814 328 H VAL 43 H VAL 43 -9.277 -2.508 -0.961 329 HA VAL 43 HA VAL 43 -7.233 -2.713 -3.010 330 HB VAL 43 HB VAL 43 -9.311 -4.703 -2.001 331 HG11 VAL 43 HG11 VAL 43 -6.960 -5.226 -3.851 332 HG12 VAL 43 HG12 VAL 43 -7.963 -6.473 -3.079 333 HG13 VAL 43 HG13 VAL 43 -8.676 -5.375 -4.269 334 HG21 VAL 43 HG21 VAL 43 -7.513 -4.049 -0.349 335 HG22 VAL 43 HG22 VAL 43 -7.438 -5.751 -0.822 336 HG23 VAL 43 HG23 VAL 43 -6.301 -4.580 -1.514 337 H GLN 44 H GLN 44 -10.844 -2.831 -3.027 338 HA GLN 44 HA GLN 44 -11.222 -3.160 -5.809 339 HB2 GLN 44 HB2 GLN 44 -12.844 -1.655 -3.710 340 HB3 GLN 44 HB3 GLN 44 -13.371 -1.854 -5.377 341 HG2 GLN 44 HG2 GLN 44 -13.484 -4.269 -5.131 342 HG3 GLN 44 HG3 GLN 44 -12.848 -4.177 -3.489 343 HE21 GLN 44 HE21 GLN 44 -14.908 -5.246 -2.776 344 HE22 GLN 44 HE22 GLN 44 -16.373 -4.250 -2.694 345 H HIS 45 H HIS 45 -10.551 -0.229 -3.874 346 HA HIS 45 HA HIS 45 -11.146 1.669 -5.844 347 HB2 HIS 45 HB2 HIS 45 -10.815 2.274 -3.541 348 HB3 HIS 45 HB3 HIS 45 -9.161 1.685 -3.551 349 HD1 HIS 45 HD1 HIS 45 -11.190 4.758 -4.638 350 HD2 HIS 45 HD2 HIS 45 -7.297 3.089 -4.871 351 HE1 HIS 45 HE1 HIS 45 -9.661 6.546 -5.595 352 H THR 46 H THR 46 -7.805 0.233 -5.172 353 HA THR 46 HA THR 46 -6.655 1.620 -7.367 354 HB THR 46 HB THR 46 -5.197 0.849 -5.715 355 HG1 THR 46 HG1 THR 46 -4.461 0.585 -7.903 356 HG21 THR 46 HG21 THR 46 -6.200 -1.974 -6.173 357 HG22 THR 46 HG22 THR 46 -6.317 -1.011 -4.680 358 HG23 THR 46 HG23 THR 46 -4.733 -1.540 -5.268 359 H LYS 47 H LYS 47 -8.395 -1.394 -7.298 360 HA LYS 47 HA LYS 47 -7.687 -2.563 -9.687 361 HB2 LYS 47 HB2 LYS 47 -9.384 -3.249 -7.779 362 HB3 LYS 47 HB3 LYS 47 -10.598 -2.515 -8.846 363 HG2 LYS 47 HG2 LYS 47 -9.753 -4.021 -10.691 364 HG3 LYS 47 HG3 LYS 47 -8.700 -4.807 -9.507 365 HD2 LYS 47 HD2 LYS 47 -11.752 -4.717 -9.469 366 HD3 LYS 47 HD3 LYS 47 -10.733 -6.098 -9.900 367 HE2 LYS 47 HE2 LYS 47 -9.732 -5.935 -7.539 368 HE3 LYS 47 HE3 LYS 47 -11.050 -4.803 -7.167 369 HZ1 LYS 47 HZ1 LYS 47 -12.598 -6.603 -7.856 370 HZ2 LYS 47 HZ2 LYS 47 -11.650 -7.032 -6.558 371 HZ3 LYS 47 HZ3 LYS 47 -11.302 -7.601 -8.053 372 H GLY 48 H GLY 48 -9.636 0.308 -9.297 373 HA2 GLY 48 HA2 GLY 48 -10.000 0.481 -12.261 374 HA3 GLY 48 HA3 GLY 48 -11.284 0.929 -11.139 375 H CYS 49 H CYS 49 -8.219 1.851 -9.821 376 HA CYS 49 HA CYS 49 -9.035 4.600 -10.353 377 HB2 CYS 49 HB2 CYS 49 -8.076 3.658 -8.129 378 HB3 CYS 49 HB3 CYS 49 -6.513 3.983 -8.899 379 H LYS 50 H LYS 50 -8.812 4.842 -12.569 380 HA LYS 50 HA LYS 50 -6.048 4.927 -13.661 381 HB2 LYS 50 HB2 LYS 50 -8.689 5.650 -14.959 382 HB3 LYS 50 HB3 LYS 50 -7.159 5.552 -15.784 383 HG2 LYS 50 HG2 LYS 50 -8.410 3.146 -14.377 384 HG3 LYS 50 HG3 LYS 50 -8.673 3.528 -16.069 385 HD2 LYS 50 HD2 LYS 50 -6.357 3.275 -16.621 386 HD3 LYS 50 HD3 LYS 50 -5.904 3.050 -14.912 387 HE2 LYS 50 HE2 LYS 50 -7.181 0.985 -14.777 388 HE3 LYS 50 HE3 LYS 50 -7.838 1.229 -16.404 389 HZ1 LYS 50 HZ1 LYS 50 -6.000 -0.356 -16.307 390 HZ2 LYS 50 HZ2 LYS 50 -4.964 0.804 -15.828 391 HZ3 LYS 50 HZ3 LYS 50 -5.683 0.856 -17.331 392 H ARG 51 H ARG 51 -7.901 6.887 -11.701 393 HA ARG 51 HA ARG 51 -7.586 9.505 -12.672 394 HB2 ARG 51 HB2 ARG 51 -7.501 8.636 -9.753 395 HB3 ARG 51 HB3 ARG 51 -7.906 10.223 -10.376 396 HG2 ARG 51 HG2 ARG 51 -9.970 9.186 -11.462 397 HG3 ARG 51 HG3 ARG 51 -9.587 7.699 -10.567 398 HD2 ARG 51 HD2 ARG 51 -9.546 9.074 -8.440 399 HD3 ARG 51 HD3 ARG 51 -10.095 10.473 -9.386 400 HE ARG 51 HE ARG 51 -11.923 8.435 -9.929 401 HH11 ARG 51 HH11 ARG 51 -11.347 10.905 -7.535 402 HH12 ARG 51 HH12 ARG 51 -12.805 10.571 -6.691 403 HH21 ARG 51 HH21 ARG 51 -13.824 7.980 -8.702 404 HH22 ARG 51 HH22 ARG 51 -14.208 9.023 -7.343 405 H LYS 52 H LYS 52 -5.084 7.408 -11.509 406 HA LYS 52 HA LYS 52 -3.378 9.262 -10.183 407 HB2 LYS 52 HB2 LYS 52 -2.322 7.017 -11.923 408 HB3 LYS 52 HB3 LYS 52 -1.603 7.712 -10.478 409 HG2 LYS 52 HG2 LYS 52 -3.408 6.727 -9.100 410 HG3 LYS 52 HG3 LYS 52 -4.178 6.063 -10.541 411 HD2 LYS 52 HD2 LYS 52 -1.452 5.297 -9.453 412 HD3 LYS 52 HD3 LYS 52 -2.949 4.353 -9.434 413 HE2 LYS 52 HE2 LYS 52 -1.456 5.105 -11.959 414 HE3 LYS 52 HE3 LYS 52 -1.325 3.566 -11.106 415 HZ1 LYS 52 HZ1 LYS 52 -3.722 3.222 -11.507 416 HZ2 LYS 52 HZ2 LYS 52 -2.860 3.393 -12.883 417 HZ3 LYS 52 HZ3 LYS 52 -3.758 4.640 -12.389 418 H THR 53 H THR 53 -3.133 8.091 -13.553 419 HA THR 53 HA THR 53 -1.325 10.074 -14.353 420 HB THR 53 HB THR 53 -3.212 8.569 -16.172 421 HG1 THR 53 HG1 THR 53 -0.828 7.366 -15.638 422 HG21 THR 53 HG21 THR 53 -1.735 10.069 -17.394 423 HG22 THR 53 HG22 THR 53 -1.140 8.421 -17.600 424 HG23 THR 53 HG23 THR 53 -0.326 9.520 -16.478 425 H ASN 54 H ASN 54 -4.782 10.431 -13.913 426 HA ASN 54 HA ASN 54 -4.875 12.857 -15.614 427 HB2 ASN 54 HB2 ASN 54 -6.955 11.122 -14.261 428 HB3 ASN 54 HB3 ASN 54 -7.352 12.729 -14.843 429 HD21 ASN 54 HD21 ASN 54 -6.860 13.280 -17.147 430 HD22 ASN 54 HD22 ASN 54 -6.882 12.002 -18.345 431 H GLY 55 H GLY 55 -3.980 12.234 -12.435 432 HA2 GLY 55 HA2 GLY 55 -4.034 14.985 -11.696 433 HA3 GLY 55 HA3 GLY 55 -5.336 14.101 -10.873 434 H GLY 56 H GLY 56 -4.755 12.224 -9.604 435 HA2 GLY 56 HA2 GLY 56 -2.384 10.941 -9.121 436 HA3 GLY 56 HA3 GLY 56 -2.110 12.489 -8.334 437 H CYS 57 H CYS 57 -4.206 9.657 -8.342 438 HA CYS 57 HA CYS 57 -5.735 10.283 -6.061 439 HB2 CYS 57 HB2 CYS 57 -6.326 8.464 -7.611 440 HB3 CYS 57 HB3 CYS 57 -4.849 7.567 -7.117 441 HA PRO 58 HA PRO 58 -2.450 9.900 -2.969 442 HB2 PRO 58 HB2 PRO 58 -3.973 9.829 -0.663 443 HB3 PRO 58 HB3 PRO 58 -3.585 11.311 -1.581 444 HG2 PRO 58 HG2 PRO 58 -6.072 9.605 -1.761 445 HG3 PRO 58 HG3 PRO 58 -5.973 11.385 -1.619 446 HD2 PRO 58 HD2 PRO 58 -6.356 10.239 -4.008 447 HD3 PRO 58 HD3 PRO 58 -5.227 11.618 -3.865 448 H ILE 59 H ILE 59 -5.303 7.733 -2.655 449 HA ILE 59 HA ILE 59 -4.163 5.742 -1.084 450 HB ILE 59 HB ILE 59 -6.200 5.446 -3.342 451 HG12 ILE 59 HG12 ILE 59 -6.804 5.631 -0.367 452 HG13 ILE 59 HG13 ILE 59 -6.724 7.065 -1.376 453 HG21 ILE 59 HG21 ILE 59 -6.913 3.363 -2.146 454 HG22 ILE 59 HG22 ILE 59 -5.246 3.237 -2.696 455 HG23 ILE 59 HG23 ILE 59 -5.588 3.594 -0.987 456 HD11 ILE 59 HD11 ILE 59 -8.507 6.285 -2.814 457 HD12 ILE 59 HD12 ILE 59 -8.602 4.730 -1.950 458 HD13 ILE 59 HD13 ILE 59 -9.046 6.221 -1.135 459 H CYS 60 H CYS 60 -4.431 5.684 -4.646 460 HA CYS 60 HA CYS 60 -2.781 3.452 -5.055 461 HB2 CYS 60 HB2 CYS 60 -3.181 5.775 -6.966 462 HB3 CYS 60 HB3 CYS 60 -2.741 4.099 -7.336 463 H LYS 61 H LYS 61 -1.892 6.908 -4.952 464 HA LYS 61 HA LYS 61 0.812 6.631 -5.937 465 HB2 LYS 61 HB2 LYS 61 -0.585 8.616 -4.096 466 HB3 LYS 61 HB3 LYS 61 1.148 8.714 -4.380 467 HG2 LYS 61 HG2 LYS 61 0.798 8.940 -6.804 468 HG3 LYS 61 HG3 LYS 61 -0.952 8.906 -6.594 469 HD2 LYS 61 HD2 LYS 61 1.001 10.897 -5.405 470 HD3 LYS 61 HD3 LYS 61 -0.081 11.213 -6.787 471 HE2 LYS 61 HE2 LYS 61 -2.030 10.875 -5.230 472 HE3 LYS 61 HE3 LYS 61 -0.881 10.659 -3.903 473 HZ1 LYS 61 HZ1 LYS 61 -1.593 12.886 -3.839 474 HZ2 LYS 61 HZ2 LYS 61 -1.339 13.153 -5.419 475 HZ3 LYS 61 HZ3 LYS 61 -0.064 12.924 -4.405 476 H GLN 62 H GLN 62 -0.424 6.798 -2.583 477 HA GLN 62 HA GLN 62 2.130 6.102 -1.455 478 HB2 GLN 62 HB2 GLN 62 -0.615 5.728 -0.216 479 HB3 GLN 62 HB3 GLN 62 0.925 5.649 0.635 480 HG2 GLN 62 HG2 GLN 62 -0.388 8.087 -0.601 481 HG3 GLN 62 HG3 GLN 62 0.000 7.800 1.081 482 HE21 GLN 62 HE21 GLN 62 0.805 9.911 -1.075 483 HE22 GLN 62 HE22 GLN 62 2.567 9.927 -0.990 484 H LEU 63 H LEU 63 -0.443 4.005 -2.732 485 HA LEU 63 HA LEU 63 0.475 1.655 -1.497 486 HB2 LEU 63 HB2 LEU 63 -1.697 1.996 -2.659 487 HB3 LEU 63 HB3 LEU 63 -0.862 1.941 -4.209 488 HG LEU 63 HG LEU 63 -0.257 -0.414 -3.843 489 HD11 LEU 63 HD11 LEU 63 -1.586 -0.047 -1.120 490 HD12 LEU 63 HD12 LEU 63 0.086 -0.552 -1.454 491 HD13 LEU 63 HD13 LEU 63 -1.245 -1.629 -1.864 492 HD21 LEU 63 HD21 LEU 63 -2.493 0.200 -4.784 493 HD22 LEU 63 HD22 LEU 63 -3.179 0.139 -3.157 494 HD23 LEU 63 HD23 LEU 63 -2.528 -1.340 -3.910 495 H ILE 64 H ILE 64 1.876 3.430 -4.176 496 HA ILE 64 HA ILE 64 3.542 1.308 -5.240 497 HB ILE 64 HB ILE 64 3.815 4.344 -5.293 498 HG12 ILE 64 HG12 ILE 64 2.860 2.488 -7.529 499 HG13 ILE 64 HG13 ILE 64 1.768 3.310 -6.420 500 HG21 ILE 64 HG21 ILE 64 5.380 4.087 -7.146 501 HG22 ILE 64 HG22 ILE 64 6.008 3.334 -5.704 502 HG23 ILE 64 HG23 ILE 64 5.320 2.307 -6.972 503 HD11 ILE 64 HD11 ILE 64 3.623 4.668 -8.385 504 HD12 ILE 64 HD12 ILE 64 1.851 4.644 -8.372 505 HD13 ILE 64 HD13 ILE 64 2.739 5.501 -7.088 506 H ALA 65 H ALA 65 3.974 3.883 -2.806 507 HA ALA 65 HA ALA 65 6.688 3.438 -2.190 508 HB1 ALA 65 HB1 ALA 65 4.425 4.376 -0.357 509 HB2 ALA 65 HB2 ALA 65 6.135 4.521 -0.032 510 HB3 ALA 65 HB3 ALA 65 5.417 5.403 -1.412 511 H LEU 66 H LEU 66 3.695 2.001 -0.912 512 HA LEU 66 HA LEU 66 4.873 0.376 1.142 513 HB2 LEU 66 HB2 LEU 66 2.256 0.062 -0.390 514 HB3 LEU 66 HB3 LEU 66 2.698 -0.845 1.057 515 HG LEU 66 HG LEU 66 2.430 2.178 0.997 516 HD11 LEU 66 HD11 LEU 66 0.351 1.903 2.074 517 HD12 LEU 66 HD12 LEU 66 0.549 0.132 2.227 518 HD13 LEU 66 HD13 LEU 66 0.285 0.891 0.641 519 HD21 LEU 66 HD21 LEU 66 2.303 1.588 3.566 520 HD22 LEU 66 HD22 LEU 66 3.895 1.709 2.792 521 HD23 LEU 66 HD23 LEU 66 3.130 0.132 3.103 522 H ALA 67 H ALA 67 3.932 -0.318 -2.250 523 HA ALA 67 HA ALA 67 4.608 -3.048 -2.253 524 HB1 ALA 67 HB1 ALA 67 3.320 -1.874 -3.991 525 HB2 ALA 67 HB2 ALA 67 4.791 -1.052 -4.551 526 HB3 ALA 67 HB3 ALA 67 4.668 -2.816 -4.679 527 H ALA 68 H ALA 68 6.611 -0.191 -3.120 528 HA ALA 68 HA ALA 68 8.994 -1.573 -3.771 529 HB1 ALA 68 HB1 ALA 68 10.084 0.599 -3.410 530 HB2 ALA 68 HB2 ALA 68 8.578 0.793 -4.329 531 HB3 ALA 68 HB3 ALA 68 8.634 1.227 -2.604 532 H TYR 69 H TYR 69 7.993 -0.139 -0.643 533 HA TYR 69 HA TYR 69 10.297 -0.899 0.835 534 HB2 TYR 69 HB2 TYR 69 8.835 0.691 1.828 535 HB3 TYR 69 HB3 TYR 69 7.403 -0.293 1.549 536 HD1 TYR 69 HD1 TYR 69 10.107 0.483 3.914 537 HD2 TYR 69 HD2 TYR 69 6.939 -2.310 2.926 538 HE1 TYR 69 HE1 TYR 69 10.296 -0.513 6.126 539 HE2 TYR 69 HE2 TYR 69 7.196 -3.389 5.111 540 HH TYR 69 HH TYR 69 8.797 -3.679 6.801 541 H HIS 70 H HIS 70 7.219 -2.691 0.253 542 HA HIS 70 HA HIS 70 7.854 -4.885 1.896 543 HB2 HIS 70 HB2 HIS 70 5.652 -4.669 1.454 544 HB3 HIS 70 HB3 HIS 70 5.864 -4.261 -0.244 545 HD1 HIS 70 HD1 HIS 70 5.245 -7.271 1.981 546 HD2 HIS 70 HD2 HIS 70 6.138 -6.236 -1.997 547 HE1 HIS 70 HE1 HIS 70 4.580 -9.275 0.512 548 H ALA 71 H ALA 71 8.376 -4.272 -1.610 549 HA ALA 71 HA ALA 71 9.483 -6.775 -2.245 550 HB1 ALA 71 HB1 ALA 71 10.392 -5.657 -4.199 551 HB2 ALA 71 HB2 ALA 71 8.730 -5.102 -3.913 552 HB3 ALA 71 HB3 ALA 71 10.116 -4.064 -3.468 553 H LYS 72 H LYS 72 10.926 -4.194 -0.307 554 HA LYS 72 HA LYS 72 13.641 -4.809 -1.012 555 HB2 LYS 72 HB2 LYS 72 14.317 -3.401 0.673 556 HB3 LYS 72 HB3 LYS 72 12.694 -2.767 0.370 557 HG2 LYS 72 HG2 LYS 72 12.038 -4.415 2.349 558 HG3 LYS 72 HG3 LYS 72 13.758 -4.400 2.683 559 HD2 LYS 72 HD2 LYS 72 11.939 -1.950 2.650 560 HD3 LYS 72 HD3 LYS 72 12.482 -2.838 4.073 561 HE2 LYS 72 HE2 LYS 72 14.894 -2.311 3.236 562 HE3 LYS 72 HE3 LYS 72 14.108 -1.088 2.210 563 HZ1 LYS 72 HZ1 LYS 72 13.166 -0.136 4.301 564 HZ2 LYS 72 HZ2 LYS 72 14.784 -0.111 4.319 565 HZ3 LYS 72 HZ3 LYS 72 13.966 -1.275 5.163 566 H HIS 73 H HIS 73 11.216 -6.501 0.733 567 HA HIS 73 HA HIS 73 13.227 -8.461 1.770 568 HB2 HIS 73 HB2 HIS 73 10.451 -7.879 2.866 569 HB3 HIS 73 HB3 HIS 73 11.601 -9.027 3.515 570 HD1 HIS 73 HD1 HIS 73 10.294 -6.038 4.636 571 HD2 HIS 73 HD2 HIS 73 14.223 -7.253 3.782 572 HE1 HIS 73 HE1 HIS 73 11.824 -4.562 6.065 573 H CYS 74 H CYS 74 9.991 -8.031 0.330 574 HA CYS 74 HA CYS 74 9.481 -10.861 0.012 575 HB2 CYS 74 HB2 CYS 74 7.765 -8.913 0.337 576 HB3 CYS 74 HB3 CYS 74 8.056 -8.598 -1.388 577 H GLN 75 H GLN 75 10.595 -11.985 -1.344 578 HA GLN 75 HA GLN 75 10.807 -11.197 -4.173 579 HB2 GLN 75 HB2 GLN 75 13.168 -12.075 -4.222 580 HB3 GLN 75 HB3 GLN 75 12.963 -10.463 -3.565 581 HG2 GLN 75 HG2 GLN 75 13.391 -11.179 -1.337 582 HG3 GLN 75 HG3 GLN 75 13.245 -12.879 -1.744 583 HE21 GLN 75 HE21 GLN 75 15.531 -10.914 -0.714 584 HE22 GLN 75 HE22 GLN 75 16.908 -11.481 -1.610 585 H GLU 76 H GLU 76 9.100 -12.774 -4.483 586 HA GLU 76 HA GLU 76 10.020 -15.561 -4.102 587 HB2 GLU 76 HB2 GLU 76 7.666 -16.179 -3.515 588 HB3 GLU 76 HB3 GLU 76 8.624 -15.434 -2.244 589 HG2 GLU 76 HG2 GLU 76 7.390 -13.444 -2.275 590 HG3 GLU 76 HG3 GLU 76 6.800 -13.729 -3.914 591 H ASN 77 H ASN 77 8.433 -17.034 -5.366 592 HA ASN 77 HA ASN 77 8.786 -16.244 -8.106 593 HB2 ASN 77 HB2 ASN 77 7.639 -18.634 -6.700 594 HB3 ASN 77 HB3 ASN 77 7.221 -18.393 -8.389 595 HD21 ASN 77 HD21 ASN 77 9.162 -17.934 -9.913 596 HD22 ASN 77 HD22 ASN 77 10.575 -18.926 -9.606 597 H LYS 78 H LYS 78 5.823 -16.354 -6.030 598 HA LYS 78 HA LYS 78 4.486 -14.681 -8.094 599 HB2 LYS 78 HB2 LYS 78 3.824 -16.947 -8.513 600 HB3 LYS 78 HB3 LYS 78 3.236 -17.132 -6.865 601 HG2 LYS 78 HG2 LYS 78 1.487 -15.465 -7.234 602 HG3 LYS 78 HG3 LYS 78 2.213 -14.974 -8.776 603 HD2 LYS 78 HD2 LYS 78 1.749 -17.087 -9.768 604 HD3 LYS 78 HD3 LYS 78 1.209 -17.795 -8.233 605 HE2 LYS 78 HE2 LYS 78 -0.744 -16.392 -8.150 606 HE3 LYS 78 HE3 LYS 78 -0.148 -15.370 -9.464 607 HZ1 LYS 78 HZ1 LYS 78 -0.841 -18.213 -9.834 608 HZ2 LYS 78 HZ2 LYS 78 -0.484 -17.100 -10.995 609 HZ3 LYS 78 HZ3 LYS 78 -1.886 -16.990 -10.110 610 H CYS 79 H CYS 79 5.375 -13.105 -6.555 611 HA CYS 79 HA CYS 79 4.797 -12.712 -3.969 612 HB2 CYS 79 HB2 CYS 79 5.270 -10.947 -6.321 613 HB3 CYS 79 HB3 CYS 79 4.453 -10.156 -5.001 614 HA PRO 80 HA PRO 80 0.443 -12.274 -3.572 615 HB2 PRO 80 HB2 PRO 80 0.200 -11.161 -1.083 616 HB3 PRO 80 HB3 PRO 80 0.769 -12.833 -1.369 617 HG2 PRO 80 HG2 PRO 80 2.455 -10.364 -0.865 618 HG3 PRO 80 HG3 PRO 80 2.608 -11.986 -0.127 619 HD2 PRO 80 HD2 PRO 80 4.127 -11.178 -2.263 620 HD3 PRO 80 HD3 PRO 80 3.619 -12.864 -2.041 621 H VAL 81 H VAL 81 2.250 -9.236 -2.715 622 HA VAL 81 HA VAL 81 -0.071 -7.574 -3.121 623 HB VAL 81 HB VAL 81 2.904 -6.983 -2.786 624 HG11 VAL 81 HG11 VAL 81 2.228 -4.623 -2.396 625 HG12 VAL 81 HG12 VAL 81 1.848 -5.115 -4.048 626 HG13 VAL 81 HG13 VAL 81 0.552 -5.020 -2.829 627 HG21 VAL 81 HG21 VAL 81 0.542 -6.758 -0.893 628 HG22 VAL 81 HG22 VAL 81 1.894 -7.913 -0.818 629 HG23 VAL 81 HG23 VAL 81 2.194 -6.200 -0.557 630 HA PRO 82 HA PRO 82 0.436 -8.062 -7.549 631 HB2 PRO 82 HB2 PRO 82 -1.334 -6.189 -8.494 632 HB3 PRO 82 HB3 PRO 82 -1.821 -7.768 -7.818 633 HG2 PRO 82 HG2 PRO 82 -1.793 -5.065 -6.472 634 HG3 PRO 82 HG3 PRO 82 -3.036 -6.350 -6.406 635 HD2 PRO 82 HD2 PRO 82 -1.132 -5.951 -4.439 636 HD3 PRO 82 HD3 PRO 82 -1.818 -7.555 -4.789 637 H PHE 83 H PHE 83 0.730 -4.895 -5.958 638 HA PHE 83 HA PHE 83 1.961 -3.572 -8.235 639 HB2 PHE 83 HB2 PHE 83 1.787 -2.984 -5.263 640 HB3 PHE 83 HB3 PHE 83 2.879 -2.096 -6.321 641 HD1 PHE 83 HD1 PHE 83 -0.567 -3.057 -7.487 642 HD2 PHE 83 HD2 PHE 83 1.980 -0.002 -5.830 643 HE1 PHE 83 HE1 PHE 83 -2.330 -1.338 -7.869 644 HE2 PHE 83 HE2 PHE 83 0.219 1.703 -6.274 645 HZ PHE 83 HZ PHE 83 -1.941 1.011 -7.249 646 H CYS 84 H CYS 84 3.209 -5.460 -5.360 647 HA CYS 84 HA CYS 84 5.926 -4.898 -6.141 648 HB2 CYS 84 HB2 CYS 84 6.618 -5.943 -4.292 649 HB3 CYS 84 HB3 CYS 84 4.971 -5.457 -3.813 650 H LEU 85 H LEU 85 3.548 -7.321 -6.963 651 HA LEU 85 HA LEU 85 5.299 -9.274 -7.997 652 HB2 LEU 85 HB2 LEU 85 2.828 -9.497 -7.662 653 HB3 LEU 85 HB3 LEU 85 2.574 -8.450 -9.060 654 HG LEU 85 HG LEU 85 3.787 -10.143 -10.496 655 HD11 LEU 85 HD11 LEU 85 4.009 -12.451 -9.612 656 HD12 LEU 85 HD12 LEU 85 3.560 -11.868 -7.997 657 HD13 LEU 85 HD13 LEU 85 5.082 -11.334 -8.749 658 HD21 LEU 85 HD21 LEU 85 1.328 -10.034 -10.381 659 HD22 LEU 85 HD22 LEU 85 1.333 -11.131 -8.978 660 HD23 LEU 85 HD23 LEU 85 1.883 -11.705 -10.567 661 H ASN 86 H ASN 86 4.265 -6.164 -9.275 662 HA ASN 86 HA ASN 86 5.417 -6.498 -11.924 663 HB2 ASN 86 HB2 ASN 86 4.483 -4.021 -10.423 664 HB3 ASN 86 HB3 ASN 86 5.242 -3.935 -11.988 665 HD21 ASN 86 HD21 ASN 86 4.180 -5.388 -13.795 666 HD22 ASN 86 HD22 ASN 86 2.440 -5.404 -13.745 667 H ILE 87 H ILE 87 6.598 -5.498 -8.773 668 HA ILE 87 HA ILE 87 9.016 -4.180 -9.711 669 HB ILE 87 HB ILE 87 8.033 -5.111 -6.967 670 HG12 ILE 87 HG12 ILE 87 8.423 -2.353 -8.169 671 HG13 ILE 87 HG13 ILE 87 6.887 -3.196 -8.030 672 HG21 ILE 87 HG21 ILE 87 10.351 -5.385 -6.773 673 HG22 ILE 87 HG22 ILE 87 10.711 -3.893 -7.631 674 HG23 ILE 87 HG23 ILE 87 9.972 -3.847 -6.026 675 HD11 ILE 87 HD11 ILE 87 6.919 -1.658 -6.266 676 HD12 ILE 87 HD12 ILE 87 7.212 -3.242 -5.526 677 HD13 ILE 87 HD13 ILE 87 8.562 -2.106 -5.788 678 H LYS 88 H LYS 88 8.117 -7.445 -8.433 679 HA LYS 88 HA LYS 88 10.677 -8.509 -8.404 680 HB2 LYS 88 HB2 LYS 88 8.229 -9.509 -7.841 681 HB3 LYS 88 HB3 LYS 88 8.478 -10.298 -9.394 682 HG2 LYS 88 HG2 LYS 88 10.164 -10.519 -6.871 683 HG3 LYS 88 HG3 LYS 88 9.184 -11.763 -7.643 684 HD2 LYS 88 HD2 LYS 88 10.795 -11.613 -9.651 685 HD3 LYS 88 HD3 LYS 88 11.806 -10.573 -8.627 686 HE2 LYS 88 HE2 LYS 88 12.725 -12.733 -8.480 687 HE3 LYS 88 HE3 LYS 88 11.942 -12.388 -6.937 688 HZ1 LYS 88 HZ1 LYS 88 10.848 -14.087 -9.110 689 HZ2 LYS 88 HZ2 LYS 88 10.051 -13.726 -7.690 690 HZ3 LYS 88 HZ3 LYS 88 11.435 -14.592 -7.686 691 H GLN 89 H GLN 89 8.588 -7.956 -11.219 692 HA GLN 89 HA GLN 89 9.929 -9.442 -13.182 693 HB2 GLN 89 HB2 GLN 89 8.607 -6.706 -13.400 694 HB3 GLN 89 HB3 GLN 89 9.094 -7.658 -14.765 695 HG2 GLN 89 HG2 GLN 89 7.064 -8.626 -12.695 696 HG3 GLN 89 HG3 GLN 89 6.649 -7.816 -14.203 697 HE21 GLN 89 HE21 GLN 89 6.628 -10.829 -12.946 698 HE22 GLN 89 HE22 GLN 89 7.129 -11.785 -14.310 699 H LYS 90 H LYS 90 11.005 -6.491 -11.599 700 HA LYS 90 HA LYS 90 13.389 -6.337 -13.392 701 HB2 LYS 90 HB2 LYS 90 13.528 -3.968 -12.723 702 HB3 LYS 90 HB3 LYS 90 12.062 -4.355 -13.621 703 HG2 LYS 90 HG2 LYS 90 10.699 -4.249 -11.645 704 HG3 LYS 90 HG3 LYS 90 12.137 -4.092 -10.601 705 HD2 LYS 90 HD2 LYS 90 12.645 -1.905 -11.577 706 HD3 LYS 90 HD3 LYS 90 11.334 -2.088 -12.750 707 HE2 LYS 90 HE2 LYS 90 10.686 -0.586 -10.922 708 HE3 LYS 90 HE3 LYS 90 9.647 -2.012 -10.984 709 HZ1 LYS 90 HZ1 LYS 90 11.946 -1.802 -9.117 710 HZ2 LYS 90 HZ2 LYS 90 10.759 -2.901 -9.103 711 HZ3 LYS 90 HZ3 LYS 90 10.426 -1.353 -8.712 712 H GLY 91 H GLY 91 12.290 -6.934 -10.159 713 HA2 GLY 91 HA2 GLY 91 13.443 -7.761 -8.356 714 HA3 GLY 91 HA3 GLY 91 14.979 -7.574 -9.237 715 H THR 92 H THR 92 16.124 -5.637 -9.020 716 HA THR 92 HA THR 92 16.856 -3.718 -8.084 717 HB THR 92 HB THR 92 15.332 -1.750 -8.228 718 HG1 THR 92 HG1 THR 92 13.450 -3.621 -8.187 719 HG21 THR 92 HG21 THR 92 16.572 -2.514 -10.234 720 HG22 THR 92 HG22 THR 92 14.981 -1.848 -10.653 721 HG23 THR 92 HG23 THR 92 15.236 -3.594 -10.663 722 H ILE 93 H ILE 93 15.773 -5.803 -6.266 723 HA ILE 93 HA ILE 93 14.604 -4.486 -3.976 724 HB ILE 93 HB ILE 93 14.790 -6.616 -2.900 725 HG12 ILE 93 HG12 ILE 93 16.410 -7.635 -5.283 726 HG13 ILE 93 HG13 ILE 93 17.028 -7.340 -3.655 727 HG21 ILE 93 HG21 ILE 93 12.977 -6.235 -4.631 728 HG22 ILE 93 HG22 ILE 93 13.953 -7.173 -5.785 729 HG23 ILE 93 HG23 ILE 93 13.329 -7.910 -4.304 730 HD11 ILE 93 HD11 ILE 93 16.655 -9.649 -3.732 731 HD12 ILE 93 HD12 ILE 93 15.305 -8.998 -2.792 732 HD13 ILE 93 HD13 ILE 93 15.064 -9.477 -4.491 733 H GLU 94 H GLU 94 17.938 -5.255 -4.935 734 HA GLU 94 HA GLU 94 18.879 -3.747 -2.564 735 HB2 GLU 94 HB2 GLU 94 18.847 -6.122 -1.952 736 HB3 GLU 94 HB3 GLU 94 19.720 -6.554 -3.418 737 HG2 GLU 94 HG2 GLU 94 21.161 -6.542 -1.404 738 HG3 GLU 94 HG3 GLU 94 21.721 -5.389 -2.626 739 H GLY 95 H GLY 95 20.380 -2.277 -3.200 740 HA2 GLY 95 HA2 GLY 95 22.272 -1.490 -4.325 741 HA3 GLY 95 HA3 GLY 95 22.088 -2.742 -5.582 742 H ARG 96 H ARG 96 21.361 0.517 -4.739 743 HA ARG 96 HA ARG 96 20.202 2.116 -5.472 744 HB2 ARG 96 HB2 ARG 96 20.250 0.722 -8.108 745 HB3 ARG 96 HB3 ARG 96 20.129 2.463 -7.735 746 HG2 ARG 96 HG2 ARG 96 22.444 2.241 -6.671 747 HG3 ARG 96 HG3 ARG 96 22.542 0.646 -7.436 748 HD2 ARG 96 HD2 ARG 96 22.247 3.342 -8.810 749 HD3 ARG 96 HD3 ARG 96 23.675 2.284 -8.792 750 HE ARG 96 HE ARG 96 21.410 0.889 -9.897 751 HH11 ARG 96 HH11 ARG 96 23.864 3.351 -10.757 752 HH12 ARG 96 HH12 ARG 96 23.599 3.116 -12.465 753 HH21 ARG 96 HH21 ARG 96 21.371 0.460 -12.179 754 HH22 ARG 96 HH22 ARG 96 22.269 1.531 -13.229 755 H GLY 97 H GLY 97 18.698 1.008 -3.946 756 HA2 GLY 97 HA2 GLY 97 16.241 -0.171 -5.009 757 HA3 GLY 97 HA3 GLY 97 16.608 0.242 -3.326 758 H ASN 98 H ASN 98 14.287 1.016 -3.498 759 HA ASN 98 HA ASN 98 14.168 3.836 -3.969 760 HB2 ASN 98 HB2 ASN 98 12.174 3.882 -5.279 761 HB3 ASN 98 HB3 ASN 98 13.385 2.988 -6.191 762 HD21 ASN 98 HD21 ASN 98 10.308 2.987 -6.330 763 HD22 ASN 98 HD22 ASN 98 10.007 1.261 -6.337 764 H GLU 99 H GLU 99 13.026 4.654 -2.363 765 HA GLU 99 HA GLU 99 11.242 3.012 -0.726 766 HB2 GLU 99 HB2 GLU 99 13.637 3.249 0.190 767 HB3 GLU 99 HB3 GLU 99 13.282 4.960 0.351 768 HG2 GLU 99 HG2 GLU 99 11.231 4.091 1.832 769 HG3 GLU 99 HG3 GLU 99 12.099 2.568 1.821 770 H PHE 100 H PHE 100 10.631 5.305 0.959 771 HA PHE 100 HA PHE 100 9.890 7.561 -0.694 772 HB2 PHE 100 HB2 PHE 100 8.155 5.396 -0.844 773 HB3 PHE 100 HB3 PHE 100 7.415 6.289 0.458 774 HD1 PHE 100 HD1 PHE 100 7.657 5.847 -3.066 775 HD2 PHE 100 HD2 PHE 100 7.085 8.958 -0.105 776 HE1 PHE 100 HE1 PHE 100 6.737 7.307 -4.778 777 HE2 PHE 100 HE2 PHE 100 6.257 10.467 -1.863 778 HZ PHE 100 HZ PHE 100 6.090 9.654 -4.238 779 H LEU 101 H LEU 101 9.261 9.305 0.557 780 HA LEU 101 HA LEU 101 8.909 9.032 3.504 781 HB2 LEU 101 HB2 LEU 101 10.652 11.025 1.993 782 HB3 LEU 101 HB3 LEU 101 10.250 11.124 3.703 783 HG LEU 101 HG LEU 101 11.829 8.856 2.412 784 HD11 LEU 101 HD11 LEU 101 13.785 9.858 3.495 785 HD12 LEU 101 HD12 LEU 101 12.780 11.194 4.117 786 HD13 LEU 101 HD13 LEU 101 13.041 11.001 2.368 787 HD21 LEU 101 HD21 LEU 101 12.445 8.276 4.752 788 HD22 LEU 101 HD22 LEU 101 10.724 8.066 4.448 789 HD23 LEU 101 HD23 LEU 101 11.287 9.500 5.344 790 H SER 102 H SER 102 6.639 9.347 3.344 791 HA SER 102 HA SER 102 5.757 11.793 1.910 792 HB2 SER 102 HB2 SER 102 3.488 10.464 1.906 793 HB3 SER 102 HB3 SER 102 4.733 10.174 0.686 794 HG SER 102 HG SER 102 3.884 8.263 1.496 795 HA PRO 103 HA PRO 103 4.249 13.418 5.690 796 HB2 PRO 103 HB2 PRO 103 2.084 14.912 4.926 797 HB3 PRO 103 HB3 PRO 103 3.738 15.275 4.372 798 HG2 PRO 103 HG2 PRO 103 1.632 13.674 2.896 799 HG3 PRO 103 HG3 PRO 103 2.569 15.089 2.300 800 HD2 PRO 103 HD2 PRO 103 3.361 12.567 1.777 801 HD3 PRO 103 HD3 PRO 103 4.558 13.832 2.163 802 H GLU 104 H GLU 104 1.990 13.797 6.893 803 HA GLU 104 HA GLU 104 0.954 11.372 7.753 804 HB2 GLU 104 HB2 GLU 104 -0.147 14.197 7.880 805 HB3 GLU 104 HB3 GLU 104 -0.936 12.828 8.680 806 HG2 GLU 104 HG2 GLU 104 1.095 12.332 9.955 807 HG3 GLU 104 HG3 GLU 104 1.944 13.678 9.173 808 H VAL 105 H VAL 105 0.076 12.984 4.806 809 HA VAL 105 HA VAL 105 -2.568 12.098 4.549 810 HB VAL 105 HB VAL 105 -0.558 12.354 2.279 811 HG11 VAL 105 HG11 VAL 105 -2.714 13.013 1.049 812 HG12 VAL 105 HG12 VAL 105 -2.635 11.312 1.547 813 HG13 VAL 105 HG13 VAL 105 -3.588 12.453 2.498 814 HG21 VAL 105 HG21 VAL 105 -1.398 14.698 2.093 815 HG22 VAL 105 HG22 VAL 105 -2.319 14.481 3.593 816 HG23 VAL 105 HG23 VAL 105 -0.549 14.454 3.616 817 H PHE 106 H PHE 106 0.395 10.296 4.501 818 HA PHE 106 HA PHE 106 -0.399 7.917 3.160 819 HB2 PHE 106 HB2 PHE 106 1.920 8.397 3.722 820 HB3 PHE 106 HB3 PHE 106 1.533 8.538 5.432 821 HD1 PHE 106 HD1 PHE 106 1.996 6.147 2.630 822 HD2 PHE 106 HD2 PHE 106 1.213 6.600 6.841 823 HE1 PHE 106 HE1 PHE 106 2.415 3.763 2.959 824 HE2 PHE 106 HE2 PHE 106 1.686 4.179 7.192 825 HZ PHE 106 HZ PHE 106 2.254 2.750 5.278 826 H GLN 107 H GLN 107 -0.857 9.091 6.486 827 HA GLN 107 HA GLN 107 -2.135 6.680 7.475 828 HB2 GLN 107 HB2 GLN 107 -1.297 9.359 8.579 829 HB3 GLN 107 HB3 GLN 107 -2.532 8.464 9.437 830 HG2 GLN 107 HG2 GLN 107 -1.117 6.613 9.848 831 HG3 GLN 107 HG3 GLN 107 0.007 7.075 8.582 832 HE21 GLN 107 HE21 GLN 107 -0.601 7.282 11.937 833 HE22 GLN 107 HE22 GLN 107 0.831 8.200 12.330 834 H HIS 108 H HIS 108 -3.143 9.798 6.132 835 HA HIS 108 HA HIS 108 -5.855 9.721 6.956 836 HB2 HIS 108 HB2 HIS 108 -4.765 10.796 4.326 837 HB3 HIS 108 HB3 HIS 108 -6.324 11.179 5.035 838 HD1 HIS 108 HD1 HIS 108 -4.951 13.672 4.478 839 HD2 HIS 108 HD2 HIS 108 -3.880 11.378 7.837 840 HE1 HIS 108 HE1 HIS 108 -3.764 15.254 6.098 841 H ILE 109 H ILE 109 -4.185 7.760 4.611 842 HA ILE 109 HA ILE 109 -6.501 6.939 3.044 843 HB ILE 109 HB ILE 109 -3.657 5.972 3.383 844 HG12 ILE 109 HG12 ILE 109 -5.021 7.147 0.899 845 HG13 ILE 109 HG13 ILE 109 -4.360 8.192 2.144 846 HG21 ILE 109 HG21 ILE 109 -3.938 4.474 1.439 847 HG22 ILE 109 HG22 ILE 109 -4.934 3.973 2.800 848 HG23 ILE 109 HG23 ILE 109 -5.681 4.807 1.432 849 HD11 ILE 109 HD11 ILE 109 -2.141 7.247 1.869 850 HD12 ILE 109 HD12 ILE 109 -2.734 6.230 0.533 851 HD13 ILE 109 HD13 ILE 109 -2.757 8.001 0.396 852 H TRP 110 H TRP 110 -4.850 5.894 6.065 853 HA TRP 110 HA TRP 110 -6.377 3.414 6.070 854 HB2 TRP 110 HB2 TRP 110 -4.800 4.582 8.376 855 HB3 TRP 110 HB3 TRP 110 -5.270 2.896 8.107 856 HD1 TRP 110 HD1 TRP 110 -2.296 4.728 8.121 857 HE1 TRP 110 HE1 TRP 110 -0.540 4.038 6.385 858 HE3 TRP 110 HE3 TRP 110 -5.267 1.880 5.094 859 HZ2 TRP 110 HZ2 TRP 110 -0.494 2.585 3.916 860 HZ3 TRP 110 HZ3 TRP 110 -4.436 1.031 2.984 861 HH2 TRP 110 HH2 TRP 110 -2.036 1.409 2.301 862 H ASP 111 H ASP 111 -6.599 6.672 7.372 863 HA ASP 111 HA ASP 111 -8.537 6.277 9.335 864 HB2 ASP 111 HB2 ASP 111 -7.238 8.393 8.744 865 HB3 ASP 111 HB3 ASP 111 -8.464 8.703 7.502 866 H PHE 112 H PHE 112 -9.190 7.145 5.918 867 HA PHE 112 HA PHE 112 -11.977 6.905 6.255 868 HB2 PHE 112 HB2 PHE 112 -12.270 7.464 4.084 869 HB3 PHE 112 HB3 PHE 112 -10.667 8.117 4.370 870 HD1 PHE 112 HD1 PHE 112 -12.678 5.638 2.558 871 HD2 PHE 112 HD2 PHE 112 -8.666 6.861 3.474 872 HE1 PHE 112 HE1 PHE 112 -11.828 4.053 0.869 873 HE2 PHE 112 HE2 PHE 112 -7.802 5.320 1.755 874 HZ PHE 112 HZ PHE 112 -9.375 3.906 0.419 875 H LEU 113 H LEU 113 -9.701 4.333 5.927 876 HA LEU 113 HA LEU 113 -11.256 2.447 4.518 877 HB2 LEU 113 HB2 LEU 113 -9.637 0.935 4.939 878 HB3 LEU 113 HB3 LEU 113 -8.772 2.396 5.313 879 HG LEU 113 HG LEU 113 -9.426 1.921 7.808 880 HD11 LEU 113 HD11 LEU 113 -11.023 0.088 7.556 881 HD12 LEU 113 HD12 LEU 113 -9.572 -0.541 8.306 882 HD13 LEU 113 HD13 LEU 113 -9.863 -0.837 6.574 883 HD21 LEU 113 HD21 LEU 113 -7.136 1.683 6.857 884 HD22 LEU 113 HD22 LEU 113 -7.524 0.053 6.303 885 HD23 LEU 113 HD23 LEU 113 -7.460 0.432 8.043 886 H GLU 114 H GLU 114 -11.501 3.493 7.885 887 HA GLU 114 HA GLU 114 -13.576 1.423 8.429 888 HB2 GLU 114 HB2 GLU 114 -12.135 3.432 10.217 889 HB3 GLU 114 HB3 GLU 114 -13.544 2.518 10.739 890 HG2 GLU 114 HG2 GLU 114 -12.279 0.417 9.940 891 HG3 GLU 114 HG3 GLU 114 -10.826 1.412 10.017 892 H GLN 115 H GLN 115 -13.424 4.619 7.272 893 HA GLN 115 HA GLN 115 -15.880 5.606 8.520 894 HB2 GLN 115 HB2 GLN 115 -14.083 6.564 6.246 895 HB3 GLN 115 HB3 GLN 115 -15.453 7.474 6.779 896 HG2 GLN 115 HG2 GLN 115 -13.087 6.737 8.547 897 HG3 GLN 115 HG3 GLN 115 -13.386 8.311 7.825 898 HE21 GLN 115 HE21 GLN 115 -13.083 7.999 10.665 899 HE22 GLN 115 HE22 GLN 115 -14.647 8.107 11.429 900 HA PRO 116 HA PRO 116 -18.694 4.023 5.484 901 HB2 PRO 116 HB2 PRO 116 -20.645 5.908 5.235 902 HB3 PRO 116 HB3 PRO 116 -20.339 5.099 6.798 903 HG2 PRO 116 HG2 PRO 116 -19.277 7.791 5.871 904 HG3 PRO 116 HG3 PRO 116 -20.127 7.406 7.402 905 HD2 PRO 116 HD2 PRO 116 -17.430 7.505 7.234 906 HD3 PRO 116 HD3 PRO 116 -18.241 6.329 8.296 907 H ILE 117 H ILE 117 -19.948 5.141 3.413 908 HA ILE 117 HA ILE 117 -18.403 5.200 1.210 909 HB ILE 117 HB ILE 117 -20.915 6.895 1.568 910 HG12 ILE 117 HG12 ILE 117 -20.740 3.930 0.866 911 HG13 ILE 117 HG13 ILE 117 -21.291 4.596 2.409 912 HG21 ILE 117 HG21 ILE 117 -21.244 6.564 -0.826 913 HG22 ILE 117 HG22 ILE 117 -19.645 7.243 -0.575 914 HG23 ILE 117 HG23 ILE 117 -19.813 5.507 -0.925 915 HD11 ILE 117 HD11 ILE 117 -23.158 5.735 1.330 916 HD12 ILE 117 HD12 ILE 117 -22.706 4.964 -0.218 917 HD13 ILE 117 HD13 ILE 117 -23.203 3.972 1.167 918 H SER 118 H SER 118 -16.529 6.343 1.077 919 HA SER 118 HA SER 118 -16.624 9.307 1.254 920 HB2 SER 118 HB2 SER 118 -14.764 7.275 2.542 921 HB3 SER 118 HB3 SER 118 -14.345 9.010 2.404 922 HG SER 118 HG SER 118 -16.483 7.771 3.780 923 H SER 119 H SER 119 -14.545 10.222 0.277 924 HA SER 119 HA SER 119 -13.232 8.551 -1.766 925 HB2 SER 119 HB2 SER 119 -14.716 11.094 -2.510 926 HB3 SER 119 HB3 SER 119 -13.749 10.061 -3.570 927 HG SER 119 HG SER 119 -15.489 8.469 -2.452 928 H VAL 120 H VAL 120 -11.131 8.880 -0.832 929 HA VAL 120 HA VAL 120 -10.410 11.633 -0.054 930 HB VAL 120 HB VAL 120 -8.282 10.595 0.605 931 HG11 VAL 120 HG11 VAL 120 -9.194 9.640 2.701 932 HG12 VAL 120 HG12 VAL 120 -10.066 11.100 2.221 933 HG13 VAL 120 HG13 VAL 120 -10.793 9.503 1.946 934 HG21 VAL 120 HG21 VAL 120 -9.664 7.905 0.374 935 HG22 VAL 120 HG22 VAL 120 -8.381 8.463 -0.722 936 HG23 VAL 120 HG23 VAL 120 -8.041 8.237 0.991 937 H GLN 121 H GLN 121 -10.719 12.530 -2.130 938 HA GLN 121 HA GLN 121 -8.954 11.613 -4.344 939 HB2 GLN 121 HB2 GLN 121 -10.231 13.301 -5.660 940 HB3 GLN 121 HB3 GLN 121 -11.207 12.010 -5.003 941 HG2 GLN 121 HG2 GLN 121 -11.139 14.358 -3.195 942 HG3 GLN 121 HG3 GLN 121 -11.627 14.804 -4.814 943 HE21 GLN 121 HE21 GLN 121 -13.216 14.668 -2.216 944 HE22 GLN 121 HE22 GLN 121 -14.575 13.623 -2.614 945 HA PRO 122 HA PRO 122 -6.089 14.896 -3.335 946 HB2 PRO 122 HB2 PRO 122 -5.028 15.650 -5.728 947 HB3 PRO 122 HB3 PRO 122 -4.715 14.026 -5.043 948 HG2 PRO 122 HG2 PRO 122 -6.814 14.814 -7.096 949 HG3 PRO 122 HG3 PRO 122 -5.644 13.471 -7.202 950 HD2 PRO 122 HD2 PRO 122 -8.206 13.111 -6.369 951 HD3 PRO 122 HD3 PRO 122 -6.866 12.181 -5.638 952 H ILE 123 H ILE 123 -5.835 17.335 -3.600 953 HA ILE 123 HA ILE 123 -8.421 18.556 -3.865 954 HB ILE 123 HB ILE 123 -7.194 20.702 -3.597 955 HG12 ILE 123 HG12 ILE 123 -4.677 18.978 -3.383 956 HG13 ILE 123 HG13 ILE 123 -5.062 20.064 -4.719 957 HG21 ILE 123 HG21 ILE 123 -8.051 19.353 -1.704 958 HG22 ILE 123 HG22 ILE 123 -6.480 18.531 -1.581 959 HG23 ILE 123 HG23 ILE 123 -6.615 20.265 -1.249 960 HD11 ILE 123 HD11 ILE 123 -5.034 22.001 -3.166 961 HD12 ILE 123 HD12 ILE 123 -4.564 20.914 -1.837 962 HD13 ILE 123 HD13 ILE 123 -3.484 21.126 -3.213 963 H ASP 124 H ASP 124 -9.023 20.173 -5.358 964 HA ASP 124 HA ASP 124 -8.807 19.349 -8.064 965 HB2 ASP 124 HB2 ASP 124 -10.140 21.239 -8.623 966 HB3 ASP 124 HB3 ASP 124 -10.740 20.592 -7.088 Start of MODEL 10 1 H1 ALA 1 H ALA 1 26.276 5.072 13.490 2 HA ALA 1 HA ALA 1 27.226 7.564 14.752 3 HB1 ALA 1 HB1 ALA 1 27.949 6.373 12.032 4 HB2 ALA 1 HB2 ALA 1 28.569 7.889 12.715 5 HB3 ALA 1 HB3 ALA 1 28.978 6.351 13.479 6 H THR 2 H THR 2 25.381 8.728 14.903 7 HA THR 2 HA THR 2 23.360 9.585 14.426 8 HB THR 2 HB THR 2 25.060 11.210 14.002 9 HG1 THR 2 HG1 THR 2 22.938 11.625 12.185 10 HG21 THR 2 HG21 THR 2 24.865 10.585 11.046 11 HG22 THR 2 HG22 THR 2 26.277 10.363 12.094 12 HG23 THR 2 HG23 THR 2 25.676 11.989 11.772 13 H GLN 3 H GLN 3 23.138 7.044 13.671 14 HA GLN 3 HA GLN 3 22.350 6.735 10.936 15 HB2 GLN 3 HB2 GLN 3 21.562 4.551 11.530 16 HB3 GLN 3 HB3 GLN 3 23.188 4.870 12.138 17 HG2 GLN 3 HG2 GLN 3 22.334 5.129 14.420 18 HG3 GLN 3 HG3 GLN 3 20.666 4.969 13.846 19 HE21 GLN 3 HE21 GLN 3 20.274 3.119 15.144 20 HE22 GLN 3 HE22 GLN 3 20.965 1.554 14.765 21 H SER 4 H SER 4 20.399 6.976 9.936 22 HA SER 4 HA SER 4 18.358 8.480 11.197 23 HB2 SER 4 HB2 SER 4 18.209 6.703 8.710 24 HB3 SER 4 HB3 SER 4 17.129 8.054 9.097 25 HG SER 4 HG SER 4 18.904 9.448 8.982 26 HA PRO 5 HA PRO 5 16.065 5.101 13.060 27 HB2 PRO 5 HB2 PRO 5 13.616 6.185 13.441 28 HB3 PRO 5 HB3 PRO 5 15.070 6.857 14.225 29 HG2 PRO 5 HG2 PRO 5 13.758 7.796 11.658 30 HG3 PRO 5 HG3 PRO 5 14.191 8.782 13.094 31 HD2 PRO 5 HD2 PRO 5 15.820 8.553 10.901 32 HD3 PRO 5 HD3 PRO 5 16.484 8.699 12.560 33 H GLY 6 H GLY 6 16.545 4.523 10.409 34 HA2 GLY 6 HA2 GLY 6 14.335 4.253 8.675 35 HA3 GLY 6 HA3 GLY 6 15.804 3.257 8.628 36 H ASP 7 H ASP 7 15.294 2.322 11.469 37 HA ASP 7 HA ASP 7 13.710 -0.006 10.880 38 HB2 ASP 7 HB2 ASP 7 15.112 1.102 13.308 39 HB3 ASP 7 HB3 ASP 7 13.880 -0.140 13.534 40 H SER 8 H SER 8 13.049 3.139 12.441 41 HA SER 8 HA SER 8 10.518 2.489 13.561 42 HB2 SER 8 HB2 SER 8 12.004 4.535 13.984 43 HB3 SER 8 HB3 SER 8 11.409 5.194 12.460 44 HG SER 8 HG SER 8 10.221 5.909 14.310 45 H ARG 9 H ARG 9 11.572 3.695 10.355 46 HA ARG 9 HA ARG 9 8.937 3.941 9.264 47 HB2 ARG 9 HB2 ARG 9 11.270 4.762 8.299 48 HB3 ARG 9 HB3 ARG 9 11.301 3.158 7.518 49 HG2 ARG 9 HG2 ARG 9 9.110 3.609 6.500 50 HG3 ARG 9 HG3 ARG 9 9.052 5.200 7.264 51 HD2 ARG 9 HD2 ARG 9 11.270 4.371 5.373 52 HD3 ARG 9 HD3 ARG 9 9.765 5.133 4.825 53 HE ARG 9 HE ARG 9 10.574 6.870 6.758 54 HH11 ARG 9 HH11 ARG 9 12.202 5.566 3.896 55 HH12 ARG 9 HH12 ARG 9 13.211 6.940 3.644 56 HH21 ARG 9 HH21 ARG 9 11.732 8.707 6.426 57 HH22 ARG 9 HH22 ARG 9 12.908 8.869 5.179 58 H ARG 10 H ARG 10 11.264 1.146 9.359 59 HA ARG 10 HA ARG 10 9.678 -0.481 7.722 60 HB2 ARG 10 HB2 ARG 10 11.320 -1.965 7.926 61 HB3 ARG 10 HB3 ARG 10 12.201 -0.648 8.627 62 HG2 ARG 10 HG2 ARG 10 12.018 -1.571 10.831 63 HG3 ARG 10 HG3 ARG 10 10.681 -2.616 10.375 64 HD2 ARG 10 HD2 ARG 10 12.530 -3.969 10.580 65 HD3 ARG 10 HD3 ARG 10 12.161 -3.865 8.853 66 HE ARG 10 HE ARG 10 14.030 -2.102 8.812 67 HH11 ARG 10 HH11 ARG 10 14.051 -5.182 10.583 68 HH12 ARG 10 HH12 ARG 10 15.772 -5.238 10.762 69 HH21 ARG 10 HH21 ARG 10 16.358 -2.120 9.231 70 HH22 ARG 10 HH22 ARG 10 17.058 -3.566 9.921 71 H LEU 11 H LEU 11 9.765 -0.437 11.344 72 HA LEU 11 HA LEU 11 7.662 -2.315 11.523 73 HB2 LEU 11 HB2 LEU 11 7.499 -1.817 13.842 74 HB3 LEU 11 HB3 LEU 11 9.178 -1.844 13.356 75 HG LEU 11 HG LEU 11 8.818 0.799 13.171 76 HD11 LEU 11 HD11 LEU 11 6.955 0.169 15.489 77 HD12 LEU 11 HD12 LEU 11 6.346 0.679 13.920 78 HD13 LEU 11 HD13 LEU 11 7.396 1.757 14.852 79 HD21 LEU 11 HD21 LEU 11 9.668 0.998 15.487 80 HD22 LEU 11 HD22 LEU 11 10.487 -0.264 14.542 81 HD23 LEU 11 HD23 LEU 11 9.259 -0.710 15.755 82 H SER 12 H SER 12 7.506 1.238 11.397 83 HA SER 12 HA SER 12 4.741 1.352 11.929 84 HB2 SER 12 HB2 SER 12 6.367 3.303 11.892 85 HB3 SER 12 HB3 SER 12 6.138 3.341 10.128 86 HG SER 12 HG SER 12 4.534 4.585 10.783 87 H ILE 13 H ILE 13 6.431 1.009 8.772 88 HA ILE 13 HA ILE 13 4.019 1.001 7.232 89 HB ILE 13 HB ILE 13 6.885 0.134 6.680 90 HG12 ILE 13 HG12 ILE 13 5.144 2.435 5.636 91 HG13 ILE 13 HG13 ILE 13 6.363 2.579 6.894 92 HG21 ILE 13 HG21 ILE 13 6.124 -0.048 4.263 93 HG22 ILE 13 HG22 ILE 13 5.543 -1.320 5.323 94 HG23 ILE 13 HG23 ILE 13 4.447 0.002 4.870 95 HD11 ILE 13 HD11 ILE 13 7.349 3.390 4.884 96 HD12 ILE 13 HD12 ILE 13 8.103 1.817 5.216 97 HD13 ILE 13 HD13 ILE 13 6.858 1.979 3.955 98 H GLN 14 H GLN 14 5.966 -1.658 8.752 99 HA GLN 14 HA GLN 14 4.691 -3.848 7.571 100 HB2 GLN 14 HB2 GLN 14 5.883 -3.437 10.335 101 HB3 GLN 14 HB3 GLN 14 5.091 -4.950 9.912 102 HG2 GLN 14 HG2 GLN 14 6.609 -5.396 8.115 103 HG3 GLN 14 HG3 GLN 14 7.303 -3.782 8.216 104 HE21 GLN 14 HE21 GLN 14 7.041 -6.910 10.091 105 HE22 GLN 14 HE22 GLN 14 8.639 -6.746 10.741 106 H ARG 15 H ARG 15 3.541 -1.971 10.413 107 HA ARG 15 HA ARG 15 1.257 -3.484 11.002 108 HB2 ARG 15 HB2 ARG 15 1.588 -0.468 11.109 109 HB3 ARG 15 HB3 ARG 15 0.321 -1.382 11.946 110 HG2 ARG 15 HG2 ARG 15 2.027 -2.551 13.293 111 HG3 ARG 15 HG3 ARG 15 3.313 -1.662 12.488 112 HD2 ARG 15 HD2 ARG 15 1.095 -0.478 14.186 113 HD3 ARG 15 HD3 ARG 15 2.795 -0.667 14.654 114 HE ARG 15 HE ARG 15 2.906 0.856 12.371 115 HH11 ARG 15 HH11 ARG 15 1.032 1.248 15.378 116 HH12 ARG 15 HH12 ARG 15 0.964 2.974 15.253 117 HH21 ARG 15 HH21 ARG 15 3.057 3.270 12.438 118 HH22 ARG 15 HH22 ARG 15 2.095 4.060 13.658 119 H ALA 16 H ALA 16 1.640 -1.154 8.329 120 HA ALA 16 HA ALA 16 -1.236 -1.111 7.688 121 HB1 ALA 16 HB1 ALA 16 0.155 0.870 7.207 122 HB2 ALA 16 HB2 ALA 16 1.140 -0.086 6.079 123 HB3 ALA 16 HB3 ALA 16 -0.583 0.192 5.744 124 H ILE 17 H ILE 17 1.795 -2.393 6.285 125 HA ILE 17 HA ILE 17 0.612 -3.737 4.117 126 HB ILE 17 HB ILE 17 3.307 -4.153 5.443 127 HG12 ILE 17 HG12 ILE 17 2.219 -2.476 3.127 128 HG13 ILE 17 HG13 ILE 17 2.993 -1.913 4.610 129 HG21 ILE 17 HG21 ILE 17 2.688 -6.167 4.121 130 HG22 ILE 17 HG22 ILE 17 2.333 -5.128 2.722 131 HG23 ILE 17 HG23 ILE 17 3.994 -5.279 3.353 132 HD11 ILE 17 HD11 ILE 17 5.108 -3.100 3.770 133 HD12 ILE 17 HD12 ILE 17 4.255 -3.179 2.204 134 HD13 ILE 17 HD13 ILE 17 4.596 -1.617 2.919 135 H GLN 18 H GLN 18 0.993 -4.903 7.440 136 HA GLN 18 HA GLN 18 0.685 -7.663 7.032 137 HB2 GLN 18 HB2 GLN 18 -0.203 -5.706 9.197 138 HB3 GLN 18 HB3 GLN 18 -0.677 -7.403 9.295 139 HG2 GLN 18 HG2 GLN 18 2.223 -6.532 9.022 140 HG3 GLN 18 HG3 GLN 18 1.420 -6.827 10.563 141 HE21 GLN 18 HE21 GLN 18 0.202 -9.104 10.624 142 HE22 GLN 18 HE22 GLN 18 1.087 -10.428 9.912 143 H SER 19 H SER 19 -1.782 -5.127 7.025 144 HA SER 19 HA SER 19 -3.999 -7.015 6.727 145 HB2 SER 19 HB2 SER 19 -3.925 -3.974 6.497 146 HB3 SER 19 HB3 SER 19 -5.359 -4.993 6.720 147 HG SER 19 HG SER 19 -4.606 -4.053 8.677 148 H LEU 20 H LEU 20 -2.053 -4.855 4.644 149 HA LEU 20 HA LEU 20 -3.672 -5.030 2.307 150 HB2 LEU 20 HB2 LEU 20 -1.885 -3.345 2.590 151 HB3 LEU 20 HB3 LEU 20 -0.667 -4.606 2.619 152 HG LEU 20 HG LEU 20 -0.962 -5.157 0.320 153 HD11 LEU 20 HD11 LEU 20 -3.332 -4.983 -0.090 154 HD12 LEU 20 HD12 LEU 20 -2.530 -3.857 -1.171 155 HD13 LEU 20 HD13 LEU 20 -3.342 -3.262 0.292 156 HD21 LEU 20 HD21 LEU 20 0.445 -3.209 0.881 157 HD22 LEU 20 HD22 LEU 20 -0.944 -2.128 0.645 158 HD23 LEU 20 HD23 LEU 20 -0.272 -3.060 -0.718 159 H VAL 21 H VAL 21 -0.702 -6.875 3.204 160 HA VAL 21 HA VAL 21 -0.608 -8.557 0.953 161 HB VAL 21 HB VAL 21 0.340 -8.816 3.825 162 HG11 VAL 21 HG11 VAL 21 0.050 -11.117 3.209 163 HG12 VAL 21 HG12 VAL 21 0.735 -10.848 1.595 164 HG13 VAL 21 HG13 VAL 21 1.765 -10.747 3.050 165 HG21 VAL 21 HG21 VAL 21 1.404 -7.188 2.200 166 HG22 VAL 21 HG22 VAL 21 2.515 -8.416 2.837 167 HG23 VAL 21 HG23 VAL 21 1.857 -8.575 1.203 168 H HIS 22 H HIS 22 -2.284 -9.084 4.098 169 HA HIS 22 HA HIS 22 -3.345 -11.586 3.416 170 HB2 HIS 22 HB2 HIS 22 -3.332 -10.742 5.697 171 HB3 HIS 22 HB3 HIS 22 -4.420 -9.424 5.260 172 HD1 HIS 22 HD1 HIS 22 -4.520 -13.330 5.266 173 HD2 HIS 22 HD2 HIS 22 -6.959 -9.900 5.111 174 HE1 HIS 22 HE1 HIS 22 -6.906 -14.139 5.493 175 H ALA 23 H ALA 23 -4.921 -8.315 3.025 176 HA ALA 23 HA ALA 23 -7.283 -9.380 1.858 177 HB1 ALA 23 HB1 ALA 23 -6.012 -6.637 1.501 178 HB2 ALA 23 HB2 ALA 23 -7.712 -7.062 1.188 179 HB3 ALA 23 HB3 ALA 23 -7.066 -7.140 2.844 180 H ALA 24 H ALA 24 -4.160 -8.686 0.445 181 HA ALA 24 HA ALA 24 -5.008 -8.590 -2.313 182 HB1 ALA 24 HB1 ALA 24 -2.253 -9.251 -1.174 183 HB2 ALA 24 HB2 ALA 24 -2.644 -8.706 -2.813 184 HB3 ALA 24 HB3 ALA 24 -2.869 -7.602 -1.450 185 H GLN 25 H GLN 25 -4.073 -11.195 -0.085 186 HA GLN 25 HA GLN 25 -4.406 -13.185 -2.270 187 HB2 GLN 25 HB2 GLN 25 -2.941 -14.601 -1.076 188 HB3 GLN 25 HB3 GLN 25 -2.210 -13.001 -1.169 189 HG2 GLN 25 HG2 GLN 25 -3.159 -12.614 1.212 190 HG3 GLN 25 HG3 GLN 25 -3.484 -14.338 1.251 191 HE21 GLN 25 HE21 GLN 25 -1.663 -13.047 3.085 192 HE22 GLN 25 HE22 GLN 25 -0.053 -13.611 2.701 193 H CYS 26 H CYS 26 -6.394 -11.850 -0.137 194 HA CYS 26 HA CYS 26 -7.559 -14.107 1.221 195 HB2 CYS 26 HB2 CYS 26 -7.772 -11.994 2.207 196 HB3 CYS 26 HB3 CYS 26 -8.371 -11.236 0.740 197 H ARG 27 H ARG 27 -7.863 -15.641 -0.353 198 HA ARG 27 HA ARG 27 -10.350 -15.367 -1.887 199 HB2 ARG 27 HB2 ARG 27 -9.153 -16.445 -3.934 200 HB3 ARG 27 HB3 ARG 27 -9.139 -14.703 -3.711 201 HG2 ARG 27 HG2 ARG 27 -6.895 -14.701 -2.844 202 HG3 ARG 27 HG3 ARG 27 -6.823 -16.460 -2.820 203 HD2 ARG 27 HD2 ARG 27 -7.144 -14.648 -5.241 204 HD3 ARG 27 HD3 ARG 27 -5.615 -15.381 -4.750 205 HE ARG 27 HE ARG 27 -7.496 -16.470 -6.468 206 HH11 ARG 27 HH11 ARG 27 -5.328 -17.564 -3.885 207 HH12 ARG 27 HH12 ARG 27 -5.527 -19.252 -4.256 208 HH21 ARG 27 HH21 ARG 27 -7.856 -18.728 -6.850 209 HH22 ARG 27 HH22 ARG 27 -7.223 -19.902 -5.702 210 H ASN 28 H ASN 28 -11.019 -16.777 -0.147 211 HA ASN 28 HA ASN 28 -11.022 -19.513 -0.823 212 HB2 ASN 28 HB2 ASN 28 -8.676 -19.380 0.253 213 HB3 ASN 28 HB3 ASN 28 -9.484 -18.890 1.744 214 HD21 ASN 28 HD21 ASN 28 -8.469 -20.939 2.582 215 HD22 ASN 28 HD22 ASN 28 -9.251 -22.485 2.214 216 H ALA 29 H ALA 29 -12.625 -20.614 0.563 217 HA ALA 29 HA ALA 29 -14.568 -18.884 1.739 218 HB1 ALA 29 HB1 ALA 29 -15.591 -21.010 2.554 219 HB2 ALA 29 HB2 ALA 29 -15.177 -21.072 0.835 220 HB3 ALA 29 HB3 ALA 29 -14.136 -21.879 2.026 221 H ASN 30 H ASN 30 -11.992 -20.900 3.195 222 HA ASN 30 HA ASN 30 -12.658 -20.478 5.916 223 HB2 ASN 30 HB2 ASN 30 -11.123 -22.224 5.156 224 HB3 ASN 30 HB3 ASN 30 -10.003 -21.013 4.527 225 HD21 ASN 30 HD21 ASN 30 -10.992 -22.771 7.397 226 HD22 ASN 30 HD22 ASN 30 -9.711 -22.118 8.413 227 H CYS 31 H CYS 31 -11.245 -18.169 3.652 228 HA CYS 31 HA CYS 31 -9.817 -16.682 5.729 229 HB2 CYS 31 HB2 CYS 31 -9.195 -16.915 3.267 230 HB3 CYS 31 HB3 CYS 31 -10.594 -15.882 2.890 231 H SER 32 H SER 32 -11.036 -15.700 7.257 232 HA SER 32 HA SER 32 -13.058 -13.711 6.450 233 HB2 SER 32 HB2 SER 32 -13.461 -15.787 8.645 234 HB3 SER 32 HB3 SER 32 -14.530 -14.417 8.275 235 HG SER 32 HG SER 32 -14.559 -15.391 6.055 236 H LEU 33 H LEU 33 -11.619 -11.966 6.873 237 HA LEU 33 HA LEU 33 -10.790 -11.771 9.741 238 HB2 LEU 33 HB2 LEU 33 -9.142 -11.473 7.289 239 HB3 LEU 33 HB3 LEU 33 -9.012 -10.134 8.418 240 HG LEU 33 HG LEU 33 -8.566 -11.864 10.249 241 HD11 LEU 33 HD11 LEU 33 -8.111 -13.610 7.796 242 HD12 LEU 33 HD12 LEU 33 -9.206 -13.930 9.145 243 HD13 LEU 33 HD13 LEU 33 -7.463 -13.982 9.405 244 HD21 LEU 33 HD21 LEU 33 -6.175 -11.959 9.707 245 HD22 LEU 33 HD22 LEU 33 -6.843 -10.368 9.341 246 HD23 LEU 33 HD23 LEU 33 -6.528 -11.519 8.024 247 HA PRO 34 HA PRO 34 -13.143 -8.028 9.775 248 HB2 PRO 34 HB2 PRO 34 -11.671 -6.521 11.657 249 HB3 PRO 34 HB3 PRO 34 -12.874 -7.762 12.053 250 HG2 PRO 34 HG2 PRO 34 -9.884 -8.066 11.876 251 HG3 PRO 34 HG3 PRO 34 -11.006 -8.727 13.114 252 HD2 PRO 34 HD2 PRO 34 -10.037 -10.234 11.108 253 HD3 PRO 34 HD3 PRO 34 -11.746 -10.417 11.607 254 H SER 35 H SER 35 -9.611 -7.292 9.978 255 HA SER 35 HA SER 35 -9.670 -4.804 8.712 256 HB2 SER 35 HB2 SER 35 -7.410 -6.834 8.621 257 HB3 SER 35 HB3 SER 35 -7.286 -5.061 8.593 258 HG SER 35 HG SER 35 -6.909 -6.092 10.712 259 H CYS 36 H CYS 36 -9.424 -8.077 7.388 260 HA CYS 36 HA CYS 36 -8.733 -7.552 4.760 261 HB2 CYS 36 HB2 CYS 36 -8.976 -9.775 6.034 262 HB3 CYS 36 HB3 CYS 36 -10.673 -9.742 5.571 263 H GLN 37 H GLN 37 -12.075 -7.958 6.050 264 HA GLN 37 HA GLN 37 -13.452 -7.473 3.655 265 HB2 GLN 37 HB2 GLN 37 -14.329 -6.520 6.421 266 HB3 GLN 37 HB3 GLN 37 -15.376 -6.776 5.029 267 HG2 GLN 37 HG2 GLN 37 -13.927 -8.872 6.665 268 HG3 GLN 37 HG3 GLN 37 -15.646 -8.545 6.629 269 HE21 GLN 37 HE21 GLN 37 -14.743 -11.107 6.270 270 HE22 GLN 37 HE22 GLN 37 -15.164 -11.617 4.661 271 H LYS 38 H LYS 38 -12.359 -5.043 6.039 272 HA LYS 38 HA LYS 38 -13.408 -2.813 4.535 273 HB2 LYS 38 HB2 LYS 38 -11.160 -2.861 6.575 274 HB3 LYS 38 HB3 LYS 38 -12.145 -1.477 6.059 275 HG2 LYS 38 HG2 LYS 38 -14.128 -2.379 7.081 276 HG3 LYS 38 HG3 LYS 38 -13.312 -3.883 7.531 277 HD2 LYS 38 HD2 LYS 38 -12.355 -1.179 8.458 278 HD3 LYS 38 HD3 LYS 38 -13.571 -2.106 9.352 279 HE2 LYS 38 HE2 LYS 38 -11.999 -3.970 9.622 280 HE3 LYS 38 HE3 LYS 38 -10.771 -3.110 8.679 281 HZ1 LYS 38 HZ1 LYS 38 -11.864 -2.015 11.199 282 HZ2 LYS 38 HZ2 LYS 38 -10.524 -1.531 10.381 283 HZ3 LYS 38 HZ3 LYS 38 -10.526 -2.984 11.134 284 H MET 39 H MET 39 -10.241 -4.387 4.696 285 HA MET 39 HA MET 39 -8.765 -2.577 3.111 286 HB2 MET 39 HB2 MET 39 -8.474 -5.559 3.541 287 HB3 MET 39 HB3 MET 39 -7.367 -4.676 2.502 288 HG2 MET 39 HG2 MET 39 -7.729 -3.754 5.327 289 HG3 MET 39 HG3 MET 39 -6.797 -5.201 4.986 290 HE1 MET 39 HE1 MET 39 -7.300 -1.528 4.268 291 HE2 MET 39 HE2 MET 39 -5.699 -0.893 3.830 292 HE3 MET 39 HE3 MET 39 -6.668 -1.781 2.631 293 H LYS 40 H LYS 40 -10.961 -5.181 2.123 294 HA LYS 40 HA LYS 40 -10.205 -5.349 -0.600 295 HB2 LYS 40 HB2 LYS 40 -12.648 -5.928 1.009 296 HB3 LYS 40 HB3 LYS 40 -12.913 -5.645 -0.724 297 HG2 LYS 40 HG2 LYS 40 -12.644 -7.959 -0.549 298 HG3 LYS 40 HG3 LYS 40 -11.120 -7.363 -1.210 299 HD2 LYS 40 HD2 LYS 40 -10.188 -7.426 1.157 300 HD3 LYS 40 HD3 LYS 40 -11.695 -8.181 1.672 301 HE2 LYS 40 HE2 LYS 40 -9.705 -9.302 -0.343 302 HE3 LYS 40 HE3 LYS 40 -9.925 -9.819 1.332 303 HZ1 LYS 40 HZ1 LYS 40 -12.307 -10.273 0.608 304 HZ2 LYS 40 HZ2 LYS 40 -11.091 -11.321 0.186 305 HZ3 LYS 40 HZ3 LYS 40 -11.695 -10.253 -0.942 306 H ARG 41 H ARG 41 -12.248 -2.862 1.022 307 HA ARG 41 HA ARG 41 -13.121 -1.649 -1.397 308 HB2 ARG 41 HB2 ARG 41 -13.933 -1.225 1.023 309 HB3 ARG 41 HB3 ARG 41 -12.548 -0.127 1.187 310 HG2 ARG 41 HG2 ARG 41 -13.386 1.130 -0.836 311 HG3 ARG 41 HG3 ARG 41 -14.767 0.023 -0.908 312 HD2 ARG 41 HD2 ARG 41 -15.395 0.823 1.425 313 HD3 ARG 41 HD3 ARG 41 -14.097 2.011 1.303 314 HE ARG 41 HE ARG 41 -15.260 3.178 -0.383 315 HH11 ARG 41 HH11 ARG 41 -17.176 0.317 0.635 316 HH12 ARG 41 HH12 ARG 41 -18.605 0.907 -0.147 317 HH21 ARG 41 HH21 ARG 41 -17.004 3.747 -1.532 318 HH22 ARG 41 HH22 ARG 41 -18.516 2.877 -1.519 319 H VAL 42 H VAL 42 -10.077 -1.385 0.394 320 HA VAL 42 HA VAL 42 -9.056 0.872 -1.093 321 HB VAL 42 HB VAL 42 -7.402 -1.099 0.524 322 HG11 VAL 42 HG11 VAL 42 -6.075 0.912 1.011 323 HG12 VAL 42 HG12 VAL 42 -6.222 0.681 -0.742 324 HG13 VAL 42 HG13 VAL 42 -7.202 1.910 0.080 325 HG21 VAL 42 HG21 VAL 42 -7.883 0.413 2.517 326 HG22 VAL 42 HG22 VAL 42 -9.213 1.115 1.593 327 HG23 VAL 42 HG23 VAL 42 -9.249 -0.598 2.044 328 H VAL 43 H VAL 43 -8.796 -2.742 -1.299 329 HA VAL 43 HA VAL 43 -6.863 -2.718 -3.457 330 HB VAL 43 HB VAL 43 -8.987 -4.788 -2.713 331 HG11 VAL 43 HG11 VAL 43 -7.502 -6.395 -3.849 332 HG12 VAL 43 HG12 VAL 43 -8.058 -5.162 -4.988 333 HG13 VAL 43 HG13 VAL 43 -6.418 -5.084 -4.316 334 HG21 VAL 43 HG21 VAL 43 -7.423 -4.360 -0.815 335 HG22 VAL 43 HG22 VAL 43 -7.140 -5.948 -1.525 336 HG23 VAL 43 HG23 VAL 43 -6.046 -4.600 -1.900 337 H GLN 44 H GLN 44 -10.447 -2.605 -3.342 338 HA GLN 44 HA GLN 44 -10.786 -2.536 -6.154 339 HB2 GLN 44 HB2 GLN 44 -12.560 -1.578 -3.882 340 HB3 GLN 44 HB3 GLN 44 -13.028 -1.513 -5.592 341 HG2 GLN 44 HG2 GLN 44 -12.585 -3.961 -5.801 342 HG3 GLN 44 HG3 GLN 44 -12.258 -4.046 -4.070 343 HE21 GLN 44 HE21 GLN 44 -14.147 -5.691 -4.885 344 HE22 GLN 44 HE22 GLN 44 -15.782 -5.080 -4.640 345 H HIS 45 H HIS 45 -9.730 0.057 -3.949 346 HA HIS 45 HA HIS 45 -10.596 2.233 -5.561 347 HB2 HIS 45 HB2 HIS 45 -9.733 2.831 -3.402 348 HB3 HIS 45 HB3 HIS 45 -8.240 1.950 -3.665 349 HD1 HIS 45 HD1 HIS 45 -9.964 5.075 -5.115 350 HD2 HIS 45 HD2 HIS 45 -6.273 3.073 -5.000 351 HE1 HIS 45 HE1 HIS 45 -8.316 6.501 -6.407 352 H THR 46 H THR 46 -7.420 0.428 -5.598 353 HA THR 46 HA THR 46 -6.514 1.906 -7.846 354 HB THR 46 HB THR 46 -4.973 0.790 -6.363 355 HG1 THR 46 HG1 THR 46 -4.414 1.158 -8.562 356 HG21 THR 46 HG21 THR 46 -4.481 -1.631 -6.573 357 HG22 THR 46 HG22 THR 46 -6.046 -1.849 -7.392 358 HG23 THR 46 HG23 THR 46 -5.969 -1.249 -5.712 359 H LYS 47 H LYS 47 -8.597 -0.944 -7.587 360 HA LYS 47 HA LYS 47 -8.428 -1.954 -10.187 361 HB2 LYS 47 HB2 LYS 47 -9.712 -2.862 -8.131 362 HB3 LYS 47 HB3 LYS 47 -11.049 -1.823 -8.666 363 HG2 LYS 47 HG2 LYS 47 -10.890 -3.025 -10.937 364 HG3 LYS 47 HG3 LYS 47 -9.727 -4.102 -10.170 365 HD2 LYS 47 HD2 LYS 47 -11.759 -5.247 -10.098 366 HD3 LYS 47 HD3 LYS 47 -11.566 -4.647 -8.450 367 HE2 LYS 47 HE2 LYS 47 -13.244 -2.957 -8.754 368 HE3 LYS 47 HE3 LYS 47 -13.115 -3.040 -10.511 369 HZ1 LYS 47 HZ1 LYS 47 -14.144 -5.161 -10.508 370 HZ2 LYS 47 HZ2 LYS 47 -15.143 -4.136 -9.705 371 HZ3 LYS 47 HZ3 LYS 47 -14.256 -5.224 -8.869 372 H GLY 48 H GLY 48 -10.030 1.007 -9.101 373 HA2 GLY 48 HA2 GLY 48 -10.964 1.493 -11.902 374 HA3 GLY 48 HA3 GLY 48 -11.942 1.906 -10.492 375 H CYS 49 H CYS 49 -8.505 2.380 -10.004 376 HA CYS 49 HA CYS 49 -9.078 5.160 -9.744 377 HB2 CYS 49 HB2 CYS 49 -7.489 4.025 -8.243 378 HB3 CYS 49 HB3 CYS 49 -6.303 4.024 -9.579 379 H LYS 50 H LYS 50 -9.764 5.850 -11.704 380 HA LYS 50 HA LYS 50 -8.022 5.925 -14.068 381 HB2 LYS 50 HB2 LYS 50 -10.682 7.105 -13.288 382 HB3 LYS 50 HB3 LYS 50 -9.750 7.977 -14.501 383 HG2 LYS 50 HG2 LYS 50 -11.335 6.433 -15.512 384 HG3 LYS 50 HG3 LYS 50 -9.665 6.093 -15.953 385 HD2 LYS 50 HD2 LYS 50 -9.659 4.202 -14.268 386 HD3 LYS 50 HD3 LYS 50 -11.365 4.551 -13.943 387 HE2 LYS 50 HE2 LYS 50 -11.096 2.683 -15.528 388 HE3 LYS 50 HE3 LYS 50 -11.932 4.044 -16.290 389 HZ1 LYS 50 HZ1 LYS 50 -9.025 3.598 -16.588 390 HZ2 LYS 50 HZ2 LYS 50 -9.999 4.586 -17.478 391 HZ3 LYS 50 HZ3 LYS 50 -10.165 2.950 -17.610 392 H ARG 51 H ARG 51 -8.853 8.010 -11.296 393 HA ARG 51 HA ARG 51 -7.501 10.319 -11.873 394 HB2 ARG 51 HB2 ARG 51 -8.990 10.043 -9.987 395 HB3 ARG 51 HB3 ARG 51 -7.831 8.979 -9.189 396 HG2 ARG 51 HG2 ARG 51 -7.825 11.165 -8.170 397 HG3 ARG 51 HG3 ARG 51 -6.264 10.816 -8.890 398 HD2 ARG 51 HD2 ARG 51 -6.754 13.089 -9.288 399 HD3 ARG 51 HD3 ARG 51 -6.887 12.268 -10.840 400 HE ARG 51 HE ARG 51 -9.193 13.101 -9.096 401 HH11 ARG 51 HH11 ARG 51 -7.749 13.232 -12.354 402 HH12 ARG 51 HH12 ARG 51 -9.190 13.807 -13.085 403 HH21 ARG 51 HH21 ARG 51 -10.921 14.004 -9.991 404 HH22 ARG 51 HH22 ARG 51 -11.084 14.376 -11.646 405 H LYS 52 H LYS 52 -5.921 7.222 -11.193 406 HA LYS 52 HA LYS 52 -3.484 8.088 -10.223 407 HB2 LYS 52 HB2 LYS 52 -4.104 5.724 -10.444 408 HB3 LYS 52 HB3 LYS 52 -4.150 5.866 -12.204 409 HG2 LYS 52 HG2 LYS 52 -2.126 4.728 -11.595 410 HG3 LYS 52 HG3 LYS 52 -1.705 6.307 -12.248 411 HD2 LYS 52 HD2 LYS 52 -1.588 7.094 -9.768 412 HD3 LYS 52 HD3 LYS 52 -1.646 5.346 -9.379 413 HE2 LYS 52 HE2 LYS 52 0.432 4.931 -10.422 414 HE3 LYS 52 HE3 LYS 52 0.292 6.370 -11.438 415 HZ1 LYS 52 HZ1 LYS 52 1.952 6.639 -9.773 416 HZ2 LYS 52 HZ2 LYS 52 0.845 6.551 -8.546 417 HZ3 LYS 52 HZ3 LYS 52 0.830 7.773 -9.689 418 H THR 53 H THR 53 -4.176 7.585 -13.777 419 HA THR 53 HA THR 53 -1.769 9.097 -14.430 420 HB THR 53 HB THR 53 -2.415 8.801 -16.764 421 HG1 THR 53 HG1 THR 53 -4.617 8.901 -16.806 422 HG21 THR 53 HG21 THR 53 -2.851 6.218 -15.191 423 HG22 THR 53 HG22 THR 53 -1.275 6.934 -15.592 424 HG23 THR 53 HG23 THR 53 -2.342 6.364 -16.885 425 H ASN 54 H ASN 54 -5.238 9.755 -14.345 426 HA ASN 54 HA ASN 54 -5.152 12.387 -15.470 427 HB2 ASN 54 HB2 ASN 54 -7.284 11.200 -13.672 428 HB3 ASN 54 HB3 ASN 54 -7.443 12.576 -14.751 429 HD21 ASN 54 HD21 ASN 54 -8.963 11.971 -16.220 430 HD22 ASN 54 HD22 ASN 54 -9.045 10.434 -17.011 431 H GLY 55 H GLY 55 -3.307 11.868 -13.054 432 HA2 GLY 55 HA2 GLY 55 -3.111 14.183 -11.759 433 HA3 GLY 55 HA3 GLY 55 -4.455 13.460 -10.879 434 H GLY 56 H GLY 56 -4.164 11.721 -9.613 435 HA2 GLY 56 HA2 GLY 56 -2.618 9.729 -9.109 436 HA3 GLY 56 HA3 GLY 56 -1.408 10.985 -8.793 437 H CYS 57 H CYS 57 -4.337 9.430 -7.628 438 HA CYS 57 HA CYS 57 -4.887 11.461 -5.619 439 HB2 CYS 57 HB2 CYS 57 -6.753 10.258 -5.071 440 HB3 CYS 57 HB3 CYS 57 -6.595 9.870 -6.767 441 HA PRO 58 HA PRO 58 -2.072 10.086 -2.589 442 HB2 PRO 58 HB2 PRO 58 -3.464 9.764 -0.225 443 HB3 PRO 58 HB3 PRO 58 -3.102 11.342 -0.979 444 HG2 PRO 58 HG2 PRO 58 -5.634 9.696 -1.269 445 HG3 PRO 58 HG3 PRO 58 -5.487 11.426 -0.776 446 HD2 PRO 58 HD2 PRO 58 -6.001 10.826 -3.320 447 HD3 PRO 58 HD3 PRO 58 -4.745 12.049 -2.979 448 H ILE 59 H ILE 59 -4.972 7.929 -2.606 449 HA ILE 59 HA ILE 59 -3.691 5.778 -1.283 450 HB ILE 59 HB ILE 59 -5.897 5.439 -3.310 451 HG12 ILE 59 HG12 ILE 59 -6.331 6.180 -0.394 452 HG13 ILE 59 HG13 ILE 59 -6.545 7.300 -1.749 453 HG21 ILE 59 HG21 ILE 59 -6.437 3.449 -2.054 454 HG22 ILE 59 HG22 ILE 59 -4.682 3.438 -2.167 455 HG23 ILE 59 HG23 ILE 59 -5.445 3.971 -0.670 456 HD11 ILE 59 HD11 ILE 59 -8.258 5.898 -2.738 457 HD12 ILE 59 HD12 ILE 59 -8.102 4.707 -1.425 458 HD13 ILE 59 HD13 ILE 59 -8.657 6.339 -1.069 459 H CYS 60 H CYS 60 -4.323 6.065 -4.871 460 HA CYS 60 HA CYS 60 -2.859 3.719 -5.456 461 HB2 CYS 60 HB2 CYS 60 -2.785 4.528 -7.751 462 HB3 CYS 60 HB3 CYS 60 -4.389 4.534 -7.044 463 H LYS 61 H LYS 61 -1.780 6.976 -4.946 464 HA LYS 61 HA LYS 61 0.930 6.579 -5.914 465 HB2 LYS 61 HB2 LYS 61 -0.303 8.658 -4.054 466 HB3 LYS 61 HB3 LYS 61 1.418 8.642 -4.436 467 HG2 LYS 61 HG2 LYS 61 0.998 8.978 -6.807 468 HG3 LYS 61 HG3 LYS 61 -0.735 8.769 -6.580 469 HD2 LYS 61 HD2 LYS 61 -0.285 11.102 -6.797 470 HD3 LYS 61 HD3 LYS 61 -0.777 10.795 -5.129 471 HE2 LYS 61 HE2 LYS 61 1.610 10.876 -4.441 472 HE3 LYS 61 HE3 LYS 61 2.082 11.198 -6.119 473 HZ1 LYS 61 HZ1 LYS 61 1.861 13.194 -4.688 474 HZ2 LYS 61 HZ2 LYS 61 0.238 12.918 -4.580 475 HZ3 LYS 61 HZ3 LYS 61 0.871 13.243 -6.041 476 H GLN 62 H GLN 62 -0.315 6.728 -2.484 477 HA GLN 62 HA GLN 62 2.192 5.928 -1.405 478 HB2 GLN 62 HB2 GLN 62 -0.618 5.680 -0.273 479 HB3 GLN 62 HB3 GLN 62 0.847 5.307 0.637 480 HG2 GLN 62 HG2 GLN 62 -0.022 8.005 -0.435 481 HG3 GLN 62 HG3 GLN 62 0.120 7.517 1.251 482 HE21 GLN 62 HE21 GLN 62 2.832 6.315 1.260 483 HE22 GLN 62 HE22 GLN 62 3.898 7.565 0.752 484 H LEU 63 H LEU 63 -0.422 3.989 -2.781 485 HA LEU 63 HA LEU 63 0.337 1.519 -1.685 486 HB2 LEU 63 HB2 LEU 63 -1.731 1.981 -2.986 487 HB3 LEU 63 HB3 LEU 63 -0.762 2.116 -4.461 488 HG LEU 63 HG LEU 63 -0.123 -0.270 -4.288 489 HD11 LEU 63 HD11 LEU 63 -1.720 -0.119 -1.722 490 HD12 LEU 63 HD12 LEU 63 -0.077 -0.738 -1.951 491 HD13 LEU 63 HD13 LEU 63 -1.453 -1.668 -2.571 492 HD21 LEU 63 HD21 LEU 63 -2.286 0.575 -5.384 493 HD22 LEU 63 HD22 LEU 63 -3.117 0.011 -3.927 494 HD23 LEU 63 HD23 LEU 63 -2.260 -1.131 -4.954 495 H ILE 64 H ILE 64 1.808 3.363 -4.357 496 HA ILE 64 HA ILE 64 3.482 1.197 -5.313 497 HB ILE 64 HB ILE 64 3.707 4.223 -5.661 498 HG12 ILE 64 HG12 ILE 64 2.689 2.048 -7.557 499 HG13 ILE 64 HG13 ILE 64 1.667 3.124 -6.603 500 HG21 ILE 64 HG21 ILE 64 5.197 1.986 -7.097 501 HG22 ILE 64 HG22 ILE 64 5.230 3.706 -7.543 502 HG23 ILE 64 HG23 ILE 64 5.902 3.213 -6.007 503 HD11 ILE 64 HD11 ILE 64 2.579 5.086 -7.793 504 HD12 ILE 64 HD12 ILE 64 3.487 3.989 -8.865 505 HD13 ILE 64 HD13 ILE 64 1.720 3.938 -8.838 506 H ALA 65 H ALA 65 3.832 3.849 -2.952 507 HA ALA 65 HA ALA 65 6.568 3.496 -2.327 508 HB1 ALA 65 HB1 ALA 65 5.017 5.411 -1.594 509 HB2 ALA 65 HB2 ALA 65 4.396 4.343 -0.332 510 HB3 ALA 65 HB3 ALA 65 6.105 4.777 -0.338 511 H LEU 66 H LEU 66 3.622 2.075 -0.846 512 HA LEU 66 HA LEU 66 5.151 0.443 0.984 513 HB2 LEU 66 HB2 LEU 66 2.229 0.199 0.144 514 HB3 LEU 66 HB3 LEU 66 3.015 -0.715 1.422 515 HG LEU 66 HG LEU 66 2.177 2.160 1.419 516 HD11 LEU 66 HD11 LEU 66 2.220 -0.071 3.502 517 HD12 LEU 66 HD12 LEU 66 0.825 0.415 2.519 518 HD13 LEU 66 HD13 LEU 66 1.501 1.511 3.742 519 HD21 LEU 66 HD21 LEU 66 4.570 1.116 2.966 520 HD22 LEU 66 HD22 LEU 66 3.636 2.514 3.504 521 HD23 LEU 66 HD23 LEU 66 4.473 2.561 1.953 522 H ALA 67 H ALA 67 3.866 -0.195 -2.274 523 HA ALA 67 HA ALA 67 4.350 -2.987 -2.297 524 HB1 ALA 67 HB1 ALA 67 4.490 -0.960 -4.565 525 HB2 ALA 67 HB2 ALA 67 4.448 -2.720 -4.755 526 HB3 ALA 67 HB3 ALA 67 3.065 -1.877 -4.023 527 H ALA 68 H ALA 68 6.413 -0.255 -3.331 528 HA ALA 68 HA ALA 68 8.732 -1.694 -4.013 529 HB1 ALA 68 HB1 ALA 68 8.457 1.142 -2.913 530 HB2 ALA 68 HB2 ALA 68 9.851 0.490 -3.795 531 HB3 ALA 68 HB3 ALA 68 8.293 0.662 -4.615 532 H TYR 69 H TYR 69 7.713 -0.330 -0.844 533 HA TYR 69 HA TYR 69 10.180 -0.974 0.531 534 HB2 TYR 69 HB2 TYR 69 8.817 0.678 1.556 535 HB3 TYR 69 HB3 TYR 69 7.363 -0.307 1.437 536 HD1 TYR 69 HD1 TYR 69 10.376 0.363 3.518 537 HD2 TYR 69 HD2 TYR 69 6.990 -2.245 2.875 538 HE1 TYR 69 HE1 TYR 69 10.801 -0.755 5.687 539 HE2 TYR 69 HE2 TYR 69 7.400 -3.348 5.035 540 HH TYR 69 HH TYR 69 8.658 -3.292 6.995 541 H HIS 70 H HIS 70 7.018 -2.775 0.243 542 HA HIS 70 HA HIS 70 7.733 -4.871 1.906 543 HB2 HIS 70 HB2 HIS 70 5.523 -4.757 1.614 544 HB3 HIS 70 HB3 HIS 70 5.617 -4.256 -0.075 545 HD1 HIS 70 HD1 HIS 70 4.873 -7.335 1.974 546 HD2 HIS 70 HD2 HIS 70 5.902 -6.139 -1.939 547 HE1 HIS 70 HE1 HIS 70 4.147 -9.205 0.385 548 H ALA 71 H ALA 71 8.195 -4.428 -1.624 549 HA ALA 71 HA ALA 71 9.173 -6.999 -2.165 550 HB1 ALA 71 HB1 ALA 71 10.088 -4.361 -3.418 551 HB2 ALA 71 HB2 ALA 71 10.201 -5.979 -4.146 552 HB3 ALA 71 HB3 ALA 71 8.604 -5.242 -3.887 553 H LYS 72 H LYS 72 10.700 -4.485 -0.277 554 HA LYS 72 HA LYS 72 13.413 -5.215 -0.801 555 HB2 LYS 72 HB2 LYS 72 13.983 -3.786 0.942 556 HB3 LYS 72 HB3 LYS 72 12.404 -3.144 0.533 557 HG2 LYS 72 HG2 LYS 72 11.504 -4.728 2.395 558 HG3 LYS 72 HG3 LYS 72 13.184 -5.007 2.787 559 HD2 LYS 72 HD2 LYS 72 12.004 -2.207 2.762 560 HD3 LYS 72 HD3 LYS 72 11.819 -3.266 4.148 561 HE2 LYS 72 HE2 LYS 72 14.424 -2.229 2.993 562 HE3 LYS 72 HE3 LYS 72 13.690 -1.835 4.563 563 HZ1 LYS 72 HZ1 LYS 72 15.093 -4.245 3.716 564 HZ2 LYS 72 HZ2 LYS 72 13.986 -4.379 4.942 565 HZ3 LYS 72 HZ3 LYS 72 15.304 -3.366 5.070 566 H HIS 73 H HIS 73 10.814 -6.752 1.007 567 HA HIS 73 HA HIS 73 12.783 -8.810 2.002 568 HB2 HIS 73 HB2 HIS 73 10.022 -8.334 3.125 569 HB3 HIS 73 HB3 HIS 73 11.328 -9.279 3.796 570 HD1 HIS 73 HD1 HIS 73 9.638 -6.431 4.760 571 HD2 HIS 73 HD2 HIS 73 13.697 -7.333 4.115 572 HE1 HIS 73 HE1 HIS 73 10.993 -4.832 6.255 573 H CYS 74 H CYS 74 9.675 -8.232 0.396 574 HA CYS 74 HA CYS 74 8.879 -11.031 0.158 575 HB2 CYS 74 HB2 CYS 74 7.323 -9.042 0.420 576 HB3 CYS 74 HB3 CYS 74 7.794 -8.546 -1.217 577 H GLN 75 H GLN 75 9.840 -12.313 -1.147 578 HA GLN 75 HA GLN 75 10.121 -11.633 -3.935 579 HB2 GLN 75 HB2 GLN 75 12.417 -12.459 -4.179 580 HB3 GLN 75 HB3 GLN 75 12.217 -10.883 -3.426 581 HG2 GLN 75 HG2 GLN 75 12.672 -11.932 -1.192 582 HG3 GLN 75 HG3 GLN 75 12.978 -13.467 -2.021 583 HE21 GLN 75 HE21 GLN 75 15.250 -13.642 -1.794 584 HE22 GLN 75 HE22 GLN 75 16.375 -12.341 -2.176 585 H GLU 76 H GLU 76 8.561 -13.023 -4.449 586 HA GLU 76 HA GLU 76 9.136 -15.840 -4.018 587 HB2 GLU 76 HB2 GLU 76 6.492 -16.058 -3.721 588 HB3 GLU 76 HB3 GLU 76 7.640 -16.049 -2.412 589 HG2 GLU 76 HG2 GLU 76 7.040 -13.401 -2.387 590 HG3 GLU 76 HG3 GLU 76 5.598 -14.013 -3.193 591 H ASN 77 H ASN 77 7.904 -17.131 -5.540 592 HA ASN 77 HA ASN 77 8.225 -16.116 -8.183 593 HB2 ASN 77 HB2 ASN 77 6.888 -18.565 -6.989 594 HB3 ASN 77 HB3 ASN 77 6.781 -18.232 -8.717 595 HD21 ASN 77 HD21 ASN 77 8.653 -18.297 -10.037 596 HD22 ASN 77 HD22 ASN 77 10.237 -18.762 -9.405 597 H LYS 78 H LYS 78 5.477 -16.169 -5.979 598 HA LYS 78 HA LYS 78 3.945 -14.507 -7.897 599 HB2 LYS 78 HB2 LYS 78 2.810 -16.897 -6.395 600 HB3 LYS 78 HB3 LYS 78 1.848 -15.714 -7.279 601 HG2 LYS 78 HG2 LYS 78 3.983 -17.494 -8.547 602 HG3 LYS 78 HG3 LYS 78 2.264 -17.848 -8.536 603 HD2 LYS 78 HD2 LYS 78 1.748 -15.884 -9.830 604 HD3 LYS 78 HD3 LYS 78 3.413 -15.322 -9.809 605 HE2 LYS 78 HE2 LYS 78 2.475 -17.921 -11.099 606 HE3 LYS 78 HE3 LYS 78 2.720 -16.390 -11.951 607 HZ1 LYS 78 HZ1 LYS 78 4.640 -17.645 -12.240 608 HZ2 LYS 78 HZ2 LYS 78 4.781 -18.039 -10.646 609 HZ3 LYS 78 HZ3 LYS 78 5.064 -16.488 -11.179 610 H CYS 79 H CYS 79 4.889 -12.842 -6.658 611 HA CYS 79 HA CYS 79 4.703 -12.347 -3.946 612 HB2 CYS 79 HB2 CYS 79 5.015 -10.796 -6.423 613 HB3 CYS 79 HB3 CYS 79 4.214 -9.878 -5.171 614 HA PRO 80 HA PRO 80 0.283 -12.278 -3.320 615 HB2 PRO 80 HB2 PRO 80 0.092 -11.029 -0.881 616 HB3 PRO 80 HB3 PRO 80 0.669 -12.707 -1.116 617 HG2 PRO 80 HG2 PRO 80 2.342 -10.202 -0.800 618 HG3 PRO 80 HG3 PRO 80 2.539 -11.781 0.022 619 HD2 PRO 80 HD2 PRO 80 4.003 -11.108 -2.173 620 HD3 PRO 80 HD3 PRO 80 3.439 -12.787 -1.914 621 H VAL 81 H VAL 81 1.944 -9.099 -2.621 622 HA VAL 81 HA VAL 81 -0.457 -7.629 -3.156 623 HB VAL 81 HB VAL 81 2.439 -6.773 -2.791 624 HG11 VAL 81 HG11 VAL 81 1.543 -4.503 -2.408 625 HG12 VAL 81 HG12 VAL 81 1.202 -5.027 -4.059 626 HG13 VAL 81 HG13 VAL 81 -0.090 -5.065 -2.830 627 HG21 VAL 81 HG21 VAL 81 1.560 -7.786 -0.827 628 HG22 VAL 81 HG22 VAL 81 1.599 -6.043 -0.573 629 HG23 VAL 81 HG23 VAL 81 0.052 -6.850 -0.934 630 HA PRO 82 HA PRO 82 0.177 -8.059 -7.577 631 HB2 PRO 82 HB2 PRO 82 -1.688 -6.295 -8.574 632 HB3 PRO 82 HB3 PRO 82 -2.080 -7.897 -7.884 633 HG2 PRO 82 HG2 PRO 82 -2.205 -5.196 -6.532 634 HG3 PRO 82 HG3 PRO 82 -3.412 -6.522 -6.496 635 HD2 PRO 82 HD2 PRO 82 -1.619 -6.131 -4.470 636 HD3 PRO 82 HD3 PRO 82 -2.167 -7.765 -4.955 637 H PHE 83 H PHE 83 0.284 -4.812 -6.037 638 HA PHE 83 HA PHE 83 1.615 -3.561 -8.301 639 HB2 PHE 83 HB2 PHE 83 1.209 -2.832 -5.388 640 HB3 PHE 83 HB3 PHE 83 2.454 -2.020 -6.299 641 HD1 PHE 83 HD1 PHE 83 -0.887 -3.008 -7.777 642 HD2 PHE 83 HD2 PHE 83 1.633 0.161 -6.263 643 HE1 PHE 83 HE1 PHE 83 -2.450 -1.341 -8.644 644 HE2 PHE 83 HE2 PHE 83 0.028 1.839 -7.156 645 HZ PHE 83 HZ PHE 83 -1.957 1.142 -8.385 646 H CYS 84 H CYS 84 2.837 -5.363 -5.427 647 HA CYS 84 HA CYS 84 5.558 -4.563 -5.938 648 HB2 CYS 84 HB2 CYS 84 6.158 -5.691 -4.099 649 HB3 CYS 84 HB3 CYS 84 4.507 -5.200 -3.700 650 H LEU 85 H LEU 85 3.469 -7.121 -6.957 651 HA LEU 85 HA LEU 85 5.300 -9.005 -7.894 652 HB2 LEU 85 HB2 LEU 85 2.842 -9.306 -7.730 653 HB3 LEU 85 HB3 LEU 85 2.639 -8.219 -9.106 654 HG LEU 85 HG LEU 85 3.921 -9.788 -10.524 655 HD11 LEU 85 HD11 LEU 85 3.650 -11.688 -8.164 656 HD12 LEU 85 HD12 LEU 85 5.185 -11.053 -8.807 657 HD13 LEU 85 HD13 LEU 85 4.207 -12.142 -9.788 658 HD21 LEU 85 HD21 LEU 85 1.443 -10.939 -9.182 659 HD22 LEU 85 HD22 LEU 85 2.070 -11.415 -10.776 660 HD23 LEU 85 HD23 LEU 85 1.464 -9.774 -10.521 661 H ASN 86 H ASN 86 4.608 -5.871 -9.127 662 HA ASN 86 HA ASN 86 5.726 -6.198 -11.818 663 HB2 ASN 86 HB2 ASN 86 5.351 -3.661 -10.155 664 HB3 ASN 86 HB3 ASN 86 5.857 -3.705 -11.831 665 HD21 ASN 86 HD21 ASN 86 4.142 -5.293 -13.231 666 HD22 ASN 86 HD22 ASN 86 2.477 -4.882 -12.843 667 H ILE 87 H ILE 87 6.927 -4.726 -8.724 668 HA ILE 87 HA ILE 87 9.580 -4.310 -9.557 669 HB ILE 87 HB ILE 87 8.550 -4.841 -6.739 670 HG12 ILE 87 HG12 ILE 87 9.320 -2.168 -6.866 671 HG13 ILE 87 HG13 ILE 87 8.687 -2.413 -8.483 672 HG21 ILE 87 HG21 ILE 87 11.255 -3.755 -7.620 673 HG22 ILE 87 HG22 ILE 87 10.634 -3.756 -5.950 674 HG23 ILE 87 HG23 ILE 87 10.946 -5.279 -6.764 675 HD11 ILE 87 HD11 ILE 87 7.238 -3.001 -5.862 676 HD12 ILE 87 HD12 ILE 87 6.969 -1.599 -6.906 677 HD13 ILE 87 HD13 ILE 87 6.560 -3.224 -7.492 678 H LYS 88 H LYS 88 8.046 -7.313 -8.351 679 HA LYS 88 HA LYS 88 10.303 -8.836 -7.824 680 HB2 LYS 88 HB2 LYS 88 7.873 -9.427 -7.551 681 HB3 LYS 88 HB3 LYS 88 7.778 -9.772 -9.264 682 HG2 LYS 88 HG2 LYS 88 9.900 -11.232 -7.720 683 HG3 LYS 88 HG3 LYS 88 8.238 -11.575 -7.300 684 HD2 LYS 88 HD2 LYS 88 8.515 -13.201 -8.845 685 HD3 LYS 88 HD3 LYS 88 7.851 -11.932 -9.858 686 HE2 LYS 88 HE2 LYS 88 9.681 -13.015 -11.025 687 HE3 LYS 88 HE3 LYS 88 10.175 -11.375 -10.626 688 HZ1 LYS 88 HZ1 LYS 88 11.321 -12.385 -8.649 689 HZ2 LYS 88 HZ2 LYS 88 11.977 -12.819 -10.057 690 HZ3 LYS 88 HZ3 LYS 88 10.986 -13.856 -9.226 691 H GLN 89 H GLN 89 8.878 -8.051 -10.988 692 HA GLN 89 HA GLN 89 10.725 -9.730 -12.495 693 HB2 GLN 89 HB2 GLN 89 8.839 -7.519 -13.401 694 HB3 GLN 89 HB3 GLN 89 9.669 -8.676 -14.438 695 HG2 GLN 89 HG2 GLN 89 8.442 -10.551 -13.381 696 HG3 GLN 89 HG3 GLN 89 7.634 -9.435 -12.284 697 HE21 GLN 89 HE21 GLN 89 6.842 -11.225 -14.930 698 HE22 GLN 89 HE22 GLN 89 5.755 -10.073 -15.682 699 H LYS 90 H LYS 90 10.557 -6.290 -11.532 700 HA LYS 90 HA LYS 90 12.675 -5.394 -13.286 701 HB2 LYS 90 HB2 LYS 90 11.758 -4.228 -10.614 702 HB3 LYS 90 HB3 LYS 90 12.777 -3.436 -11.808 703 HG2 LYS 90 HG2 LYS 90 10.858 -3.514 -13.444 704 HG3 LYS 90 HG3 LYS 90 9.861 -4.250 -12.193 705 HD2 LYS 90 HD2 LYS 90 9.337 -1.922 -12.171 706 HD3 LYS 90 HD3 LYS 90 10.310 -2.239 -10.728 707 HE2 LYS 90 HE2 LYS 90 12.352 -1.511 -12.121 708 HE3 LYS 90 HE3 LYS 90 11.202 -0.983 -13.357 709 HZ1 LYS 90 HZ1 LYS 90 11.914 0.784 -11.915 710 HZ2 LYS 90 HZ2 LYS 90 11.377 0.041 -10.583 711 HZ3 LYS 90 HZ3 LYS 90 10.306 0.577 -11.749 712 H GLY 91 H GLY 91 12.572 -6.538 -9.934 713 HA2 GLY 91 HA2 GLY 91 14.335 -7.884 -9.020 714 HA3 GLY 91 HA3 GLY 91 15.535 -6.910 -9.902 715 H THR 92 H THR 92 15.691 -7.286 -7.173 716 HA THR 92 HA THR 92 15.117 -4.598 -6.030 717 HB THR 92 HB THR 92 15.034 -5.932 -3.854 718 HG1 THR 92 HG1 THR 92 15.292 -7.988 -3.979 719 HG21 THR 92 HG21 THR 92 13.011 -5.057 -4.979 720 HG22 THR 92 HG22 THR 92 12.705 -6.639 -4.236 721 HG23 THR 92 HG23 THR 92 12.925 -6.521 -5.982 722 H ILE 93 H ILE 93 17.452 -5.495 -7.610 723 HA ILE 93 HA ILE 93 19.739 -5.915 -5.997 724 HB ILE 93 HB ILE 93 19.462 -4.542 -8.718 725 HG12 ILE 93 HG12 ILE 93 19.973 -7.482 -8.092 726 HG13 ILE 93 HG13 ILE 93 18.436 -6.830 -8.662 727 HG21 ILE 93 HG21 ILE 93 21.692 -4.143 -7.749 728 HG22 ILE 93 HG22 ILE 93 21.868 -5.872 -7.397 729 HG23 ILE 93 HG23 ILE 93 21.839 -5.269 -9.072 730 HD11 ILE 93 HD11 ILE 93 19.481 -7.760 -10.555 731 HD12 ILE 93 HD12 ILE 93 19.614 -6.000 -10.725 732 HD13 ILE 93 HD13 ILE 93 21.020 -6.974 -10.216 733 H GLU 94 H GLU 94 18.010 -3.003 -6.930 734 HA GLU 94 HA GLU 94 19.849 -0.981 -6.478 735 HB2 GLU 94 HB2 GLU 94 16.888 -0.945 -5.806 736 HB3 GLU 94 HB3 GLU 94 17.890 0.458 -6.204 737 HG2 GLU 94 HG2 GLU 94 18.236 -0.534 -8.508 738 HG3 GLU 94 HG3 GLU 94 17.106 -1.830 -8.081 739 H GLY 95 H GLY 95 20.389 0.372 -4.728 740 HA2 GLY 95 HA2 GLY 95 20.325 -0.872 -2.081 741 HA3 GLY 95 HA3 GLY 95 21.173 0.600 -2.577 742 H ARG 96 H ARG 96 17.743 -0.531 -2.424 743 HA ARG 96 HA ARG 96 15.848 0.459 -1.980 744 HB2 ARG 96 HB2 ARG 96 17.462 1.561 0.353 745 HB3 ARG 96 HB3 ARG 96 15.718 1.310 0.196 746 HG2 ARG 96 HG2 ARG 96 15.973 -1.088 0.096 747 HG3 ARG 96 HG3 ARG 96 17.731 -0.936 0.224 748 HD2 ARG 96 HD2 ARG 96 16.820 -1.507 2.404 749 HD3 ARG 96 HD3 ARG 96 17.463 0.146 2.451 750 HE ARG 96 HE ARG 96 14.628 -0.005 1.756 751 HH11 ARG 96 HH11 ARG 96 16.804 0.183 4.611 752 HH12 ARG 96 HH12 ARG 96 15.590 1.048 5.528 753 HH21 ARG 96 HH21 ARG 96 13.151 1.005 2.998 754 HH22 ARG 96 HH22 ARG 96 13.541 1.497 4.661 755 H GLY 97 H GLY 97 17.366 1.876 -3.893 756 HA2 GLY 97 HA2 GLY 97 17.333 4.710 -3.496 757 HA3 GLY 97 HA3 GLY 97 17.582 3.815 -5.004 758 H ASN 98 H ASN 98 15.015 4.553 -2.652 759 HA ASN 98 HA ASN 98 13.040 5.168 -4.789 760 HB2 ASN 98 HB2 ASN 98 12.370 3.454 -2.354 761 HB3 ASN 98 HB3 ASN 98 11.260 4.021 -3.593 762 HD21 ASN 98 HD21 ASN 98 12.177 1.158 -2.622 763 HD22 ASN 98 HD22 ASN 98 12.501 0.421 -4.177 764 H GLU 99 H GLU 99 13.158 7.452 -4.286 765 HA GLU 99 HA GLU 99 13.226 8.351 -1.511 766 HB2 GLU 99 HB2 GLU 99 14.469 9.545 -3.270 767 HB3 GLU 99 HB3 GLU 99 12.964 9.829 -4.151 768 HG2 GLU 99 HG2 GLU 99 12.130 11.007 -1.976 769 HG3 GLU 99 HG3 GLU 99 13.824 10.987 -1.486 770 H PHE 100 H PHE 100 11.316 7.708 -0.584 771 HA PHE 100 HA PHE 100 8.887 8.955 -1.704 772 HB2 PHE 100 HB2 PHE 100 9.069 6.437 -2.349 773 HB3 PHE 100 HB3 PHE 100 8.484 6.152 -0.712 774 HD1 PHE 100 HD1 PHE 100 7.393 6.365 -3.964 775 HD2 PHE 100 HD2 PHE 100 6.490 8.236 -0.135 776 HE1 PHE 100 HE1 PHE 100 5.210 7.084 -4.807 777 HE2 PHE 100 HE2 PHE 100 4.398 9.049 -1.066 778 HZ PHE 100 HZ PHE 100 3.671 8.421 -3.362 779 H LEU 101 H LEU 101 9.034 10.511 -0.190 780 HA LEU 101 HA LEU 101 8.971 9.833 2.686 781 HB2 LEU 101 HB2 LEU 101 8.816 12.470 1.178 782 HB3 LEU 101 HB3 LEU 101 8.841 12.322 2.932 783 HG LEU 101 HG LEU 101 11.087 11.448 1.057 784 HD11 LEU 101 HD11 LEU 101 12.278 13.430 1.847 785 HD12 LEU 101 HD12 LEU 101 10.902 13.874 2.879 786 HD13 LEU 101 HD13 LEU 101 10.739 13.905 1.115 787 HD21 LEU 101 HD21 LEU 101 11.019 11.634 4.100 788 HD22 LEU 101 HD22 LEU 101 12.450 11.272 3.119 789 HD23 LEU 101 HD23 LEU 101 11.097 10.131 3.164 790 H SER 102 H SER 102 7.034 9.280 3.533 791 HA SER 102 HA SER 102 4.584 9.605 2.022 792 HB2 SER 102 HB2 SER 102 3.619 8.336 3.913 793 HB3 SER 102 HB3 SER 102 5.002 7.549 3.162 794 HG SER 102 HG SER 102 4.888 8.909 5.643 795 HA PRO 103 HA PRO 103 3.788 13.460 4.313 796 HB2 PRO 103 HB2 PRO 103 1.454 14.217 3.105 797 HB3 PRO 103 HB3 PRO 103 3.016 14.308 2.246 798 HG2 PRO 103 HG2 PRO 103 0.926 12.123 2.085 799 HG3 PRO 103 HG3 PRO 103 1.792 12.937 0.742 800 HD2 PRO 103 HD2 PRO 103 2.544 10.510 1.784 801 HD3 PRO 103 HD3 PRO 103 3.722 11.669 1.096 802 H GLU 104 H GLU 104 1.704 14.276 5.556 803 HA GLU 104 HA GLU 104 0.951 12.368 7.480 804 HB2 GLU 104 HB2 GLU 104 -0.388 14.956 6.626 805 HB3 GLU 104 HB3 GLU 104 -0.784 14.079 8.109 806 HG2 GLU 104 HG2 GLU 104 1.401 14.461 9.043 807 HG3 GLU 104 HG3 GLU 104 2.036 15.066 7.508 808 H VAL 105 H VAL 105 -0.539 13.211 4.429 809 HA VAL 105 HA VAL 105 -3.061 12.101 4.710 810 HB VAL 105 HB VAL 105 -1.392 12.115 2.165 811 HG11 VAL 105 HG11 VAL 105 -3.612 12.468 1.064 812 HG12 VAL 105 HG12 VAL 105 -3.508 10.899 1.884 813 HG13 VAL 105 HG13 VAL 105 -4.403 12.238 2.636 814 HG21 VAL 105 HG21 VAL 105 -1.305 14.366 3.143 815 HG22 VAL 105 HG22 VAL 105 -2.423 14.377 1.785 816 HG23 VAL 105 HG23 VAL 105 -3.057 14.323 3.447 817 H PHE 106 H PHE 106 0.015 10.429 4.534 818 HA PHE 106 HA PHE 106 -0.782 7.924 3.515 819 HB2 PHE 106 HB2 PHE 106 1.521 8.530 3.895 820 HB3 PHE 106 HB3 PHE 106 1.254 8.709 5.630 821 HD1 PHE 106 HD1 PHE 106 1.163 6.121 2.876 822 HD2 PHE 106 HD2 PHE 106 1.664 6.912 7.095 823 HE1 PHE 106 HE1 PHE 106 1.746 3.783 3.239 824 HE2 PHE 106 HE2 PHE 106 2.302 4.546 7.455 825 HZ PHE 106 HZ PHE 106 2.356 2.957 5.545 826 H GLN 107 H GLN 107 -1.058 9.310 6.846 827 HA GLN 107 HA GLN 107 -2.285 6.835 7.806 828 HB2 GLN 107 HB2 GLN 107 -1.901 9.504 9.194 829 HB3 GLN 107 HB3 GLN 107 -2.553 8.026 9.924 830 HG2 GLN 107 HG2 GLN 107 -0.387 6.847 9.090 831 HG3 GLN 107 HG3 GLN 107 0.245 8.462 8.802 832 HE21 GLN 107 HE21 GLN 107 -1.191 6.387 11.416 833 HE22 GLN 107 HE22 GLN 107 -0.215 7.126 12.666 834 H HIS 108 H HIS 108 -3.434 9.898 6.463 835 HA HIS 108 HA HIS 108 -6.142 9.661 7.313 836 HB2 HIS 108 HB2 HIS 108 -5.206 10.779 4.633 837 HB3 HIS 108 HB3 HIS 108 -6.747 11.057 5.411 838 HD1 HIS 108 HD1 HIS 108 -5.733 13.644 4.766 839 HD2 HIS 108 HD2 HIS 108 -4.091 11.539 8.040 840 HE1 HIS 108 HE1 HIS 108 -4.490 15.358 6.202 841 H ILE 109 H ILE 109 -4.357 8.229 4.590 842 HA ILE 109 HA ILE 109 -6.529 7.050 3.184 843 HB ILE 109 HB ILE 109 -3.659 6.157 3.501 844 HG12 ILE 109 HG12 ILE 109 -4.893 7.418 1.021 845 HG13 ILE 109 HG13 ILE 109 -4.224 8.401 2.303 846 HG21 ILE 109 HG21 ILE 109 -4.860 4.177 2.818 847 HG22 ILE 109 HG22 ILE 109 -5.697 5.070 1.534 848 HG23 ILE 109 HG23 ILE 109 -3.943 4.766 1.450 849 HD11 ILE 109 HD11 ILE 109 -2.735 6.415 0.565 850 HD12 ILE 109 HD12 ILE 109 -2.425 8.142 0.782 851 HD13 ILE 109 HD13 ILE 109 -2.068 7.008 2.085 852 H TRP 110 H TRP 110 -4.631 5.947 6.050 853 HA TRP 110 HA TRP 110 -5.959 3.400 6.007 854 HB2 TRP 110 HB2 TRP 110 -4.266 4.593 8.202 855 HB3 TRP 110 HB3 TRP 110 -4.720 2.887 7.970 856 HD1 TRP 110 HD1 TRP 110 -1.774 4.776 7.673 857 HE1 TRP 110 HE1 TRP 110 -0.195 4.021 5.826 858 HE3 TRP 110 HE3 TRP 110 -5.011 1.850 4.973 859 HZ2 TRP 110 HZ2 TRP 110 -0.375 2.537 3.339 860 HZ3 TRP 110 HZ3 TRP 110 -4.284 0.828 2.890 861 HH2 TRP 110 HH2 TRP 110 -1.964 1.102 2.057 862 H ASP 111 H ASP 111 -6.824 6.488 7.381 863 HA ASP 111 HA ASP 111 -8.535 5.283 9.422 864 HB2 ASP 111 HB2 ASP 111 -7.569 7.523 9.765 865 HB3 ASP 111 HB3 ASP 111 -8.454 8.128 8.360 866 H PHE 112 H PHE 112 -9.226 7.100 6.390 867 HA PHE 112 HA PHE 112 -11.988 6.689 6.519 868 HB2 PHE 112 HB2 PHE 112 -12.164 7.694 4.515 869 HB3 PHE 112 HB3 PHE 112 -10.526 8.182 4.917 870 HD1 PHE 112 HD1 PHE 112 -12.677 6.126 2.721 871 HD2 PHE 112 HD2 PHE 112 -8.610 7.030 3.790 872 HE1 PHE 112 HE1 PHE 112 -11.898 4.825 0.786 873 HE2 PHE 112 HE2 PHE 112 -7.807 5.773 1.812 874 HZ PHE 112 HZ PHE 112 -9.461 4.586 0.342 875 H LEU 113 H LEU 113 -9.673 4.259 5.817 876 HA LEU 113 HA LEU 113 -11.205 2.600 4.077 877 HB2 LEU 113 HB2 LEU 113 -9.618 1.017 4.320 878 HB3 LEU 113 HB3 LEU 113 -8.728 2.448 4.771 879 HG LEU 113 HG LEU 113 -9.267 1.751 7.253 880 HD11 LEU 113 HD11 LEU 113 -9.878 -0.791 5.707 881 HD12 LEU 113 HD12 LEU 113 -10.801 -0.046 7.029 882 HD13 LEU 113 HD13 LEU 113 -9.280 -0.840 7.377 883 HD21 LEU 113 HD21 LEU 113 -7.404 0.165 5.446 884 HD22 LEU 113 HD22 LEU 113 -7.277 0.246 7.223 885 HD23 LEU 113 HD23 LEU 113 -7.039 1.683 6.237 886 H GLU 114 H GLU 114 -11.507 3.254 7.490 887 HA GLU 114 HA GLU 114 -13.556 1.089 7.711 888 HB2 GLU 114 HB2 GLU 114 -13.313 1.173 10.099 889 HB3 GLU 114 HB3 GLU 114 -11.812 0.743 9.288 890 HG2 GLU 114 HG2 GLU 114 -10.878 2.951 9.679 891 HG3 GLU 114 HG3 GLU 114 -12.384 3.476 10.468 892 H GLN 115 H GLN 115 -13.068 4.606 8.089 893 HA GLN 115 HA GLN 115 -15.648 5.079 9.230 894 HB2 GLN 115 HB2 GLN 115 -14.094 7.007 7.458 895 HB3 GLN 115 HB3 GLN 115 -15.281 7.416 8.685 896 HG2 GLN 115 HG2 GLN 115 -12.442 6.474 9.052 897 HG3 GLN 115 HG3 GLN 115 -13.178 7.985 9.564 898 HE21 GLN 115 HE21 GLN 115 -11.615 6.248 11.231 899 HE22 GLN 115 HE22 GLN 115 -12.659 5.568 12.488 900 HA PRO 116 HA PRO 116 -18.186 4.718 5.577 901 HB2 PRO 116 HB2 PRO 116 -20.362 6.261 6.106 902 HB3 PRO 116 HB3 PRO 116 -19.975 4.799 7.060 903 HG2 PRO 116 HG2 PRO 116 -19.333 7.685 7.749 904 HG3 PRO 116 HG3 PRO 116 -20.081 6.444 8.796 905 HD2 PRO 116 HD2 PRO 116 -17.410 7.025 8.853 906 HD3 PRO 116 HD3 PRO 116 -18.023 5.371 9.160 907 H ILE 117 H ILE 117 -16.459 5.701 4.301 908 HA ILE 117 HA ILE 117 -17.125 8.412 3.219 909 HB ILE 117 HB ILE 117 -14.438 7.103 3.755 910 HG12 ILE 117 HG12 ILE 117 -15.405 8.127 5.772 911 HG13 ILE 117 HG13 ILE 117 -13.933 8.918 5.256 912 HG21 ILE 117 HG21 ILE 117 -14.191 8.240 1.650 913 HG22 ILE 117 HG22 ILE 117 -15.016 9.689 2.260 914 HG23 ILE 117 HG23 ILE 117 -13.423 9.232 2.889 915 HD11 ILE 117 HD11 ILE 117 -16.731 9.982 4.750 916 HD12 ILE 117 HD12 ILE 117 -15.617 10.531 6.016 917 HD13 ILE 117 HD13 ILE 117 -15.216 10.801 4.314 918 H SER 118 H SER 118 -17.780 8.253 1.146 919 HA SER 118 HA SER 118 -16.886 5.907 -0.458 920 HB2 SER 118 HB2 SER 118 -19.319 6.041 0.113 921 HB3 SER 118 HB3 SER 118 -19.397 7.543 -0.831 922 HG SER 118 HG SER 118 -18.365 6.171 -2.538 923 H SER 119 H SER 119 -15.888 9.069 -0.200 924 HA SER 119 HA SER 119 -15.262 9.180 -3.055 925 HB2 SER 119 HB2 SER 119 -17.131 10.805 -2.722 926 HB3 SER 119 HB3 SER 119 -16.139 11.610 -1.465 927 HG SER 119 HG SER 119 -15.516 12.654 -3.301 928 H VAL 120 H VAL 120 -13.177 9.323 -3.172 929 HA VAL 120 HA VAL 120 -11.603 10.521 -0.977 930 HB VAL 120 HB VAL 120 -11.849 8.095 -0.581 931 HG11 VAL 120 HG11 VAL 120 -11.593 7.472 -3.107 932 HG12 VAL 120 HG12 VAL 120 -9.872 7.586 -2.806 933 HG13 VAL 120 HG13 VAL 120 -10.847 6.427 -1.874 934 HG21 VAL 120 HG21 VAL 120 -9.648 7.834 0.244 935 HG22 VAL 120 HG22 VAL 120 -8.961 8.931 -0.979 936 HG23 VAL 120 HG23 VAL 120 -10.007 9.552 0.309 937 H GLN 121 H GLN 121 -12.338 11.721 -3.352 938 HA GLN 121 HA GLN 121 -10.206 11.460 -5.342 939 HB2 GLN 121 HB2 GLN 121 -12.418 13.502 -4.818 940 HB3 GLN 121 HB3 GLN 121 -11.186 13.739 -6.062 941 HG2 GLN 121 HG2 GLN 121 -11.784 11.552 -7.086 942 HG3 GLN 121 HG3 GLN 121 -13.066 11.349 -5.888 943 HE21 GLN 121 HE21 GLN 121 -12.812 11.994 -9.062 944 HE22 GLN 121 HE22 GLN 121 -14.234 13.034 -9.173 945 HA PRO 122 HA PRO 122 -7.224 13.603 -2.960 946 HB2 PRO 122 HB2 PRO 122 -5.809 15.118 -4.805 947 HB3 PRO 122 HB3 PRO 122 -5.626 13.368 -4.566 948 HG2 PRO 122 HG2 PRO 122 -7.265 14.798 -6.657 949 HG3 PRO 122 HG3 PRO 122 -6.218 13.352 -6.844 950 HD2 PRO 122 HD2 PRO 122 -8.929 13.161 -6.607 951 HD3 PRO 122 HD3 PRO 122 -7.837 11.932 -5.906 952 H ILE 123 H ILE 123 -6.693 15.618 -1.992 953 HA ILE 123 HA ILE 123 -8.464 17.909 -2.639 954 HB ILE 123 HB ILE 123 -8.869 18.209 -0.254 955 HG12 ILE 123 HG12 ILE 123 -7.454 15.547 0.181 956 HG13 ILE 123 HG13 ILE 123 -6.791 17.136 0.593 957 HG21 ILE 123 HG21 ILE 123 -10.410 16.828 -1.709 958 HG22 ILE 123 HG22 ILE 123 -9.636 15.371 -1.037 959 HG23 ILE 123 HG23 ILE 123 -10.523 16.483 0.015 960 HD11 ILE 123 HD11 ILE 123 -7.662 16.211 2.606 961 HD12 ILE 123 HD12 ILE 123 -8.802 17.484 2.110 962 HD13 ILE 123 HD13 ILE 123 -9.191 15.766 1.826 963 H ASP 124 H ASP 124 -7.672 19.842 -1.112 964 HA ASP 124 HA ASP 124 -5.074 20.483 -2.135 965 HB2 ASP 124 HB2 ASP 124 -7.121 22.034 -1.505 966 HB3 ASP 124 HB3 ASP 124 -6.354 22.087 0.089 Start of MODEL 11 1 H1 ALA 1 H ALA 1 27.100 3.781 4.922 2 HA ALA 1 HA ALA 1 24.272 4.288 4.281 3 HB1 ALA 1 HB1 ALA 1 25.528 1.797 5.492 4 HB2 ALA 1 HB2 ALA 1 23.781 2.122 5.413 5 HB3 ALA 1 HB3 ALA 1 24.721 1.953 3.916 6 H THR 2 H THR 2 23.353 5.635 5.724 7 HA THR 2 HA THR 2 24.658 6.374 8.180 8 HB THR 2 HB THR 2 21.933 6.988 6.956 9 HG1 THR 2 HG1 THR 2 24.413 8.361 7.004 10 HG21 THR 2 HG21 THR 2 23.333 8.402 9.266 11 HG22 THR 2 HG22 THR 2 21.760 7.593 9.297 12 HG23 THR 2 HG23 THR 2 21.955 9.063 8.346 13 H GLN 3 H GLN 3 22.101 4.029 7.442 14 HA GLN 3 HA GLN 3 20.731 2.788 8.780 15 HB2 GLN 3 HB2 GLN 3 23.429 2.532 10.092 16 HB3 GLN 3 HB3 GLN 3 22.038 1.792 10.875 17 HG2 GLN 3 HG2 GLN 3 22.702 1.259 7.958 18 HG3 GLN 3 HG3 GLN 3 23.349 0.315 9.298 19 HE21 GLN 3 HE21 GLN 3 22.217 -1.475 8.061 20 HE22 GLN 3 HE22 GLN 3 20.593 -1.837 8.606 21 H SER 4 H SER 4 19.885 5.159 8.928 22 HA SER 4 HA SER 4 19.931 6.589 11.293 23 HB2 SER 4 HB2 SER 4 17.489 6.737 9.618 24 HB3 SER 4 HB3 SER 4 18.651 7.999 10.050 25 HG SER 4 HG SER 4 18.670 7.512 7.775 26 HA PRO 5 HA PRO 5 17.039 4.406 13.844 27 HB2 PRO 5 HB2 PRO 5 15.762 6.290 15.320 28 HB3 PRO 5 HB3 PRO 5 17.524 6.032 15.418 29 HG2 PRO 5 HG2 PRO 5 16.053 8.115 13.773 30 HG3 PRO 5 HG3 PRO 5 17.432 8.369 14.872 31 HD2 PRO 5 HD2 PRO 5 17.735 8.049 12.161 32 HD3 PRO 5 HD3 PRO 5 18.954 7.466 13.326 33 H GLY 6 H GLY 6 16.074 3.920 11.577 34 HA2 GLY 6 HA2 GLY 6 13.406 5.090 11.036 35 HA3 GLY 6 HA3 GLY 6 14.373 4.077 9.972 36 H ASP 7 H ASP 7 14.186 2.766 13.240 37 HA ASP 7 HA ASP 7 12.765 0.517 12.178 38 HB2 ASP 7 HB2 ASP 7 13.480 1.166 15.032 39 HB3 ASP 7 HB3 ASP 7 12.515 -0.235 14.569 40 H SER 8 H SER 8 11.684 3.507 13.694 41 HA SER 8 HA SER 8 9.065 2.738 14.379 42 HB2 SER 8 HB2 SER 8 9.869 5.469 13.328 43 HB3 SER 8 HB3 SER 8 8.622 5.070 14.528 44 HG SER 8 HG SER 8 10.414 4.228 15.836 45 H ARG 9 H ARG 9 10.459 3.914 11.270 46 HA ARG 9 HA ARG 9 7.955 4.088 9.892 47 HB2 ARG 9 HB2 ARG 9 10.748 3.577 8.756 48 HB3 ARG 9 HB3 ARG 9 9.305 3.906 7.799 49 HG2 ARG 9 HG2 ARG 9 9.034 6.093 9.077 50 HG3 ARG 9 HG3 ARG 9 10.633 5.801 9.784 51 HD2 ARG 9 HD2 ARG 9 9.993 6.044 6.812 52 HD3 ARG 9 HD3 ARG 9 10.709 7.305 7.822 53 HE ARG 9 HE ARG 9 12.212 4.790 7.832 54 HH11 ARG 9 HH11 ARG 9 11.682 7.524 5.645 55 HH12 ARG 9 HH12 ARG 9 13.345 7.670 5.215 56 HH21 ARG 9 HH21 ARG 9 14.340 4.910 7.217 57 HH22 ARG 9 HH22 ARG 9 14.919 6.190 6.178 58 H ARG 10 H ARG 10 10.275 1.352 10.298 59 HA ARG 10 HA ARG 10 8.741 -0.245 8.430 60 HB2 ARG 10 HB2 ARG 10 9.805 -2.224 9.267 61 HB3 ARG 10 HB3 ARG 10 10.992 -0.992 8.826 62 HG2 ARG 10 HG2 ARG 10 11.528 -0.613 11.082 63 HG3 ARG 10 HG3 ARG 10 10.095 -1.467 11.691 64 HD2 ARG 10 HD2 ARG 10 10.976 -3.584 10.730 65 HD3 ARG 10 HD3 ARG 10 12.453 -2.741 10.288 66 HE ARG 10 HE ARG 10 13.056 -2.505 12.546 67 HH11 ARG 10 HH11 ARG 10 9.746 -3.917 12.335 68 HH12 ARG 10 HH12 ARG 10 9.756 -4.365 14.021 69 HH21 ARG 10 HH21 ARG 10 13.080 -3.354 14.636 70 HH22 ARG 10 HH22 ARG 10 11.690 -4.121 15.317 71 H LEU 11 H LEU 11 8.601 -0.107 12.090 72 HA LEU 11 HA LEU 11 6.496 -1.983 12.051 73 HB2 LEU 11 HB2 LEU 11 6.077 -1.494 14.355 74 HB3 LEU 11 HB3 LEU 11 7.773 -1.684 13.988 75 HG LEU 11 HG LEU 11 7.720 0.975 13.873 76 HD11 LEU 11 HD11 LEU 11 5.265 1.227 14.292 77 HD12 LEU 11 HD12 LEU 11 6.228 1.969 15.560 78 HD13 LEU 11 HD13 LEU 11 5.457 0.390 15.839 79 HD21 LEU 11 HD21 LEU 11 9.093 -0.397 15.362 80 HD22 LEU 11 HD22 LEU 11 7.717 -0.576 16.478 81 HD23 LEU 11 HD23 LEU 11 8.446 1.020 16.185 82 H SER 12 H SER 12 6.240 1.540 11.643 83 HA SER 12 HA SER 12 3.387 1.602 11.972 84 HB2 SER 12 HB2 SER 12 3.540 3.764 10.728 85 HB3 SER 12 HB3 SER 12 4.650 3.664 12.104 86 HG SER 12 HG SER 12 5.425 4.437 9.869 87 H ILE 13 H ILE 13 5.499 1.356 9.115 88 HA ILE 13 HA ILE 13 3.468 1.055 7.166 89 HB ILE 13 HB ILE 13 6.426 0.344 7.226 90 HG12 ILE 13 HG12 ILE 13 4.894 2.505 5.684 91 HG13 ILE 13 HG13 ILE 13 5.636 2.790 7.254 92 HG21 ILE 13 HG21 ILE 13 5.597 -1.190 5.670 93 HG22 ILE 13 HG22 ILE 13 4.374 -0.063 5.069 94 HG23 ILE 13 HG23 ILE 13 6.087 0.167 4.662 95 HD11 ILE 13 HD11 ILE 13 7.106 2.099 4.682 96 HD12 ILE 13 HD12 ILE 13 7.142 3.608 5.593 97 HD13 ILE 13 HD13 ILE 13 7.873 2.149 6.284 98 H GLN 14 H GLN 14 5.511 -1.495 8.705 99 HA GLN 14 HA GLN 14 4.439 -3.770 7.608 100 HB2 GLN 14 HB2 GLN 14 5.443 -3.229 10.422 101 HB3 GLN 14 HB3 GLN 14 4.949 -4.832 9.899 102 HG2 GLN 14 HG2 GLN 14 6.706 -4.931 8.239 103 HG3 GLN 14 HG3 GLN 14 7.192 -3.276 8.542 104 HE21 GLN 14 HE21 GLN 14 7.194 -6.592 9.827 105 HE22 GLN 14 HE22 GLN 14 8.405 -6.304 11.043 106 H ARG 15 H ARG 15 3.015 -1.878 10.379 107 HA ARG 15 HA ARG 15 0.998 -3.798 10.951 108 HB2 ARG 15 HB2 ARG 15 1.573 -1.919 12.466 109 HB3 ARG 15 HB3 ARG 15 0.959 -0.775 11.277 110 HG2 ARG 15 HG2 ARG 15 -0.768 -0.938 12.842 111 HG3 ARG 15 HG3 ARG 15 -1.303 -1.924 11.491 112 HD2 ARG 15 HD2 ARG 15 -1.896 -3.186 13.356 113 HD3 ARG 15 HD3 ARG 15 -0.422 -3.960 12.792 114 HE ARG 15 HE ARG 15 0.645 -3.364 14.739 115 HH11 ARG 15 HH11 ARG 15 -2.487 -1.629 14.658 116 HH12 ARG 15 HH12 ARG 15 -2.432 -1.248 16.328 117 HH21 ARG 15 HH21 ARG 15 0.784 -2.663 16.814 118 HH22 ARG 15 HH22 ARG 15 -0.414 -1.663 17.584 119 H ALA 16 H ALA 16 0.872 -0.947 8.699 120 HA ALA 16 HA ALA 16 -1.789 -1.484 7.785 121 HB1 ALA 16 HB1 ALA 16 -1.315 0.041 5.976 122 HB2 ALA 16 HB2 ALA 16 -0.700 0.696 7.499 123 HB3 ALA 16 HB3 ALA 16 0.431 -0.022 6.320 124 H ILE 17 H ILE 17 1.456 -2.341 6.477 125 HA ILE 17 HA ILE 17 0.588 -3.688 4.210 126 HB ILE 17 HB ILE 17 3.157 -3.972 5.757 127 HG12 ILE 17 HG12 ILE 17 2.184 -2.468 3.285 128 HG13 ILE 17 HG13 ILE 17 2.840 -1.792 4.776 129 HG21 ILE 17 HG21 ILE 17 4.108 -5.160 3.850 130 HG22 ILE 17 HG22 ILE 17 2.741 -6.074 4.441 131 HG23 ILE 17 HG23 ILE 17 2.562 -5.075 2.980 132 HD11 ILE 17 HD11 ILE 17 5.033 -2.925 4.142 133 HD12 ILE 17 HD12 ILE 17 4.305 -3.169 2.530 134 HD13 ILE 17 HD13 ILE 17 4.524 -1.538 3.142 135 H GLN 18 H GLN 18 0.994 -5.130 7.492 136 HA GLN 18 HA GLN 18 0.664 -7.811 6.697 137 HB2 GLN 18 HB2 GLN 18 -0.149 -6.340 9.221 138 HB3 GLN 18 HB3 GLN 18 -0.400 -8.076 9.042 139 HG2 GLN 18 HG2 GLN 18 2.349 -6.849 8.619 140 HG3 GLN 18 HG3 GLN 18 1.758 -7.235 10.224 141 HE21 GLN 18 HE21 GLN 18 0.960 -9.623 10.512 142 HE22 GLN 18 HE22 GLN 18 1.962 -10.814 9.709 143 H SER 19 H SER 19 -1.806 -5.286 7.200 144 HA SER 19 HA SER 19 -4.022 -7.131 6.753 145 HB2 SER 19 HB2 SER 19 -5.296 -4.865 6.724 146 HB3 SER 19 HB3 SER 19 -4.626 -5.487 8.205 147 HG SER 19 HG SER 19 -3.118 -3.639 6.677 148 H LEU 20 H LEU 20 -2.287 -4.657 4.810 149 HA LEU 20 HA LEU 20 -3.863 -4.703 2.495 150 HB2 LEU 20 HB2 LEU 20 -2.206 -3.001 2.885 151 HB3 LEU 20 HB3 LEU 20 -0.945 -4.218 3.047 152 HG LEU 20 HG LEU 20 -1.089 -4.752 0.645 153 HD11 LEU 20 HD11 LEU 20 -2.299 -3.295 -0.873 154 HD12 LEU 20 HD12 LEU 20 -2.857 -2.280 0.470 155 HD13 LEU 20 HD13 LEU 20 -3.457 -3.947 0.280 156 HD21 LEU 20 HD21 LEU 20 0.127 -2.815 -0.095 157 HD22 LEU 20 HD22 LEU 20 0.584 -3.203 1.557 158 HD23 LEU 20 HD23 LEU 20 -0.519 -1.840 1.250 159 H VAL 21 H VAL 21 -0.917 -6.676 3.201 160 HA VAL 21 HA VAL 21 -0.823 -8.004 0.672 161 HB VAL 21 HB VAL 21 0.139 -8.911 3.426 162 HG11 VAL 21 HG11 VAL 21 0.768 -9.935 0.630 163 HG12 VAL 21 HG12 VAL 21 1.753 -10.333 2.055 164 HG13 VAL 21 HG13 VAL 21 0.061 -10.848 1.963 165 HG21 VAL 21 HG21 VAL 21 1.144 -6.733 2.464 166 HG22 VAL 21 HG22 VAL 21 2.263 -8.021 2.931 167 HG23 VAL 21 HG23 VAL 21 1.879 -7.755 1.230 168 H HIS 22 H HIS 22 -2.223 -8.954 3.797 169 HA HIS 22 HA HIS 22 -3.276 -11.417 3.082 170 HB2 HIS 22 HB2 HIS 22 -3.027 -10.675 5.365 171 HB3 HIS 22 HB3 HIS 22 -4.211 -9.385 5.132 172 HD1 HIS 22 HD1 HIS 22 -4.065 -13.258 5.260 173 HD2 HIS 22 HD2 HIS 22 -6.773 -10.009 5.128 174 HE1 HIS 22 HE1 HIS 22 -6.401 -14.239 5.436 175 H ALA 23 H ALA 23 -4.856 -8.168 2.919 176 HA ALA 23 HA ALA 23 -7.344 -9.051 2.000 177 HB1 ALA 23 HB1 ALA 23 -6.825 -6.854 2.889 178 HB2 ALA 23 HB2 ALA 23 -5.880 -6.451 1.426 179 HB3 ALA 23 HB3 ALA 23 -7.635 -6.713 1.306 180 H ALA 24 H ALA 24 -4.343 -8.883 0.188 181 HA ALA 24 HA ALA 24 -5.734 -8.776 -2.435 182 HB1 ALA 24 HB1 ALA 24 -2.799 -9.205 -1.700 183 HB2 ALA 24 HB2 ALA 24 -3.444 -9.196 -3.349 184 HB3 ALA 24 HB3 ALA 24 -3.578 -7.742 -2.364 185 H GLN 25 H GLN 25 -3.843 -11.092 -0.508 186 HA GLN 25 HA GLN 25 -4.341 -13.301 -2.308 187 HB2 GLN 25 HB2 GLN 25 -3.150 -14.667 -0.751 188 HB3 GLN 25 HB3 GLN 25 -2.287 -13.170 -1.079 189 HG2 GLN 25 HG2 GLN 25 -3.122 -12.234 1.068 190 HG3 GLN 25 HG3 GLN 25 -3.891 -13.765 1.454 191 HE21 GLN 25 HE21 GLN 25 -2.078 -15.700 0.893 192 HE22 GLN 25 HE22 GLN 25 -0.472 -15.387 1.536 193 H CYS 26 H CYS 26 -6.235 -11.975 0.261 194 HA CYS 26 HA CYS 26 -7.579 -14.336 1.112 195 HB2 CYS 26 HB2 CYS 26 -7.532 -12.435 2.487 196 HB3 CYS 26 HB3 CYS 26 -8.279 -11.422 1.257 197 H ARG 27 H ARG 27 -8.277 -15.513 -0.634 198 HA ARG 27 HA ARG 27 -10.828 -14.709 -1.824 199 HB2 ARG 27 HB2 ARG 27 -8.372 -15.424 -3.508 200 HB3 ARG 27 HB3 ARG 27 -10.037 -15.625 -4.061 201 HG2 ARG 27 HG2 ARG 27 -10.370 -13.141 -3.625 202 HG3 ARG 27 HG3 ARG 27 -8.617 -13.020 -3.445 203 HD2 ARG 27 HD2 ARG 27 -10.101 -14.005 -5.937 204 HD3 ARG 27 HD3 ARG 27 -9.442 -12.408 -5.720 205 HE ARG 27 HE ARG 27 -7.342 -13.106 -6.132 206 HH11 ARG 27 HH11 ARG 27 -9.401 -15.999 -6.051 207 HH12 ARG 27 HH12 ARG 27 -8.091 -17.092 -5.930 208 HH21 ARG 27 HH21 ARG 27 -5.649 -14.505 -6.164 209 HH22 ARG 27 HH22 ARG 27 -5.798 -16.211 -6.425 210 H ASN 28 H ASN 28 -11.334 -16.274 -0.105 211 HA ASN 28 HA ASN 28 -11.576 -18.922 -1.083 212 HB2 ASN 28 HB2 ASN 28 -9.114 -19.024 -0.355 213 HB3 ASN 28 HB3 ASN 28 -9.666 -18.682 1.288 214 HD21 ASN 28 HD21 ASN 28 -8.920 -20.858 2.046 215 HD22 ASN 28 HD22 ASN 28 -9.790 -22.277 1.503 216 H ALA 29 H ALA 29 -12.957 -20.142 0.304 217 HA ALA 29 HA ALA 29 -14.696 -18.625 1.897 218 HB1 ALA 29 HB1 ALA 29 -15.693 -20.852 2.451 219 HB2 ALA 29 HB2 ALA 29 -15.383 -20.663 0.719 220 HB3 ALA 29 HB3 ALA 29 -14.275 -21.631 1.722 221 H ASN 30 H ASN 30 -11.979 -20.702 2.827 222 HA ASN 30 HA ASN 30 -12.536 -20.761 5.652 223 HB2 ASN 30 HB2 ASN 30 -11.088 -22.398 4.459 224 HB3 ASN 30 HB3 ASN 30 -9.915 -21.113 4.132 225 HD21 ASN 30 HD21 ASN 30 -8.227 -20.979 5.593 226 HD22 ASN 30 HD22 ASN 30 -8.293 -21.597 7.228 227 H CYS 31 H CYS 31 -10.999 -18.330 3.606 228 HA CYS 31 HA CYS 31 -9.450 -17.139 5.775 229 HB2 CYS 31 HB2 CYS 31 -8.783 -17.082 3.362 230 HB3 CYS 31 HB3 CYS 31 -10.201 -16.043 3.026 231 H SER 32 H SER 32 -10.494 -16.143 7.377 232 HA SER 32 HA SER 32 -12.583 -14.150 6.759 233 HB2 SER 32 HB2 SER 32 -13.885 -14.961 8.755 234 HB3 SER 32 HB3 SER 32 -13.967 -15.955 7.289 235 HG SER 32 HG SER 32 -12.083 -16.501 9.307 236 H LEU 33 H LEU 33 -11.149 -12.440 7.189 237 HA LEU 33 HA LEU 33 -10.270 -12.174 10.026 238 HB2 LEU 33 HB2 LEU 33 -8.793 -11.756 7.455 239 HB3 LEU 33 HB3 LEU 33 -8.620 -10.488 8.667 240 HG LEU 33 HG LEU 33 -7.964 -12.340 10.321 241 HD11 LEU 33 HD11 LEU 33 -8.671 -14.323 9.125 242 HD12 LEU 33 HD12 LEU 33 -6.905 -14.332 9.172 243 HD13 LEU 33 HD13 LEU 33 -7.742 -13.857 7.680 244 HD21 LEU 33 HD21 LEU 33 -5.637 -12.334 9.536 245 HD22 LEU 33 HD22 LEU 33 -6.365 -10.732 9.407 246 HD23 LEU 33 HD23 LEU 33 -6.158 -11.739 7.952 247 HA PRO 34 HA PRO 34 -12.974 -8.645 9.765 248 HB2 PRO 34 HB2 PRO 34 -11.935 -6.997 11.741 249 HB3 PRO 34 HB3 PRO 34 -12.954 -8.436 12.048 250 HG2 PRO 34 HG2 PRO 34 -9.938 -8.191 12.172 251 HG3 PRO 34 HG3 PRO 34 -11.035 -9.035 13.310 252 HD2 PRO 34 HD2 PRO 34 -9.650 -10.369 11.378 253 HD3 PRO 34 HD3 PRO 34 -11.309 -10.852 11.844 254 H SER 35 H SER 35 -9.533 -7.640 10.245 255 HA SER 35 HA SER 35 -9.733 -5.171 8.919 256 HB2 SER 35 HB2 SER 35 -7.302 -6.962 9.202 257 HB3 SER 35 HB3 SER 35 -7.313 -5.197 8.967 258 HG SER 35 HG SER 35 -7.170 -6.245 11.208 259 H CYS 36 H CYS 36 -9.434 -8.433 7.598 260 HA CYS 36 HA CYS 36 -8.384 -7.833 5.058 261 HB2 CYS 36 HB2 CYS 36 -8.759 -10.104 6.163 262 HB3 CYS 36 HB3 CYS 36 -10.471 -9.958 5.777 263 H GLN 37 H GLN 37 -11.799 -8.142 6.168 264 HA GLN 37 HA GLN 37 -13.015 -7.316 3.751 265 HB2 GLN 37 HB2 GLN 37 -14.020 -6.889 6.593 266 HB3 GLN 37 HB3 GLN 37 -14.995 -6.810 5.114 267 HG2 GLN 37 HG2 GLN 37 -14.507 -9.199 4.672 268 HG3 GLN 37 HG3 GLN 37 -13.585 -9.291 6.181 269 HE21 GLN 37 HE21 GLN 37 -15.712 -11.005 5.821 270 HE22 GLN 37 HE22 GLN 37 -16.937 -10.572 6.983 271 H LYS 38 H LYS 38 -12.034 -5.393 6.615 272 HA LYS 38 HA LYS 38 -12.998 -2.879 5.669 273 HB2 LYS 38 HB2 LYS 38 -10.703 -3.548 7.555 274 HB3 LYS 38 HB3 LYS 38 -11.395 -1.942 7.345 275 HG2 LYS 38 HG2 LYS 38 -13.496 -2.541 8.277 276 HG3 LYS 38 HG3 LYS 38 -13.143 -4.274 8.201 277 HD2 LYS 38 HD2 LYS 38 -11.335 -4.015 9.836 278 HD3 LYS 38 HD3 LYS 38 -11.646 -2.291 9.960 279 HE2 LYS 38 HE2 LYS 38 -13.869 -4.308 10.500 280 HE3 LYS 38 HE3 LYS 38 -12.602 -4.058 11.697 281 HZ1 LYS 38 HZ1 LYS 38 -14.456 -1.969 10.753 282 HZ2 LYS 38 HZ2 LYS 38 -13.152 -1.702 11.729 283 HZ3 LYS 38 HZ3 LYS 38 -14.409 -2.684 12.204 284 H MET 39 H MET 39 -9.858 -4.522 5.141 285 HA MET 39 HA MET 39 -8.656 -2.418 3.590 286 HB2 MET 39 HB2 MET 39 -8.169 -5.398 3.918 287 HB3 MET 39 HB3 MET 39 -7.255 -4.452 2.746 288 HG2 MET 39 HG2 MET 39 -7.317 -3.774 5.689 289 HG3 MET 39 HG3 MET 39 -6.184 -4.887 4.919 290 HE1 MET 39 HE1 MET 39 -5.647 -0.492 5.324 291 HE2 MET 39 HE2 MET 39 -7.287 -1.189 5.336 292 HE3 MET 39 HE3 MET 39 -6.064 -1.766 6.490 293 H LYS 40 H LYS 40 -10.668 -5.274 2.741 294 HA LYS 40 HA LYS 40 -10.184 -5.429 -0.000 295 HB2 LYS 40 HB2 LYS 40 -12.389 -6.271 1.791 296 HB3 LYS 40 HB3 LYS 40 -12.960 -5.829 0.190 297 HG2 LYS 40 HG2 LYS 40 -12.538 -8.139 0.090 298 HG3 LYS 40 HG3 LYS 40 -11.212 -7.353 -0.788 299 HD2 LYS 40 HD2 LYS 40 -9.781 -7.554 1.236 300 HD3 LYS 40 HD3 LYS 40 -11.092 -8.376 2.076 301 HE2 LYS 40 HE2 LYS 40 -9.848 -9.411 -0.513 302 HE3 LYS 40 HE3 LYS 40 -9.260 -9.807 1.105 303 HZ1 LYS 40 HZ1 LYS 40 -10.656 -11.518 0.491 304 HZ2 LYS 40 HZ2 LYS 40 -11.907 -10.515 0.044 305 HZ3 LYS 40 HZ3 LYS 40 -11.452 -10.674 1.625 306 H ARG 41 H ARG 41 -12.356 -3.163 1.693 307 HA ARG 41 HA ARG 41 -13.516 -1.991 -0.602 308 HB2 ARG 41 HB2 ARG 41 -14.075 -1.711 1.883 309 HB3 ARG 41 HB3 ARG 41 -12.713 -0.591 1.970 310 HG2 ARG 41 HG2 ARG 41 -13.815 0.808 0.179 311 HG3 ARG 41 HG3 ARG 41 -15.194 -0.307 0.216 312 HD2 ARG 41 HD2 ARG 41 -15.454 0.134 2.672 313 HD3 ARG 41 HD3 ARG 41 -14.068 1.219 2.598 314 HE ARG 41 HE ARG 41 -15.318 2.852 1.712 315 HH11 ARG 41 HH11 ARG 41 -17.150 -0.205 1.421 316 HH12 ARG 41 HH12 ARG 41 -18.666 0.595 1.094 317 HH21 ARG 41 HH21 ARG 41 -17.285 3.828 0.926 318 HH22 ARG 41 HH22 ARG 41 -18.748 2.870 0.864 319 H VAL 42 H VAL 42 -10.472 -1.110 1.129 320 HA VAL 42 HA VAL 42 -9.784 1.080 -0.517 321 HB VAL 42 HB VAL 42 -7.801 -0.705 0.955 322 HG11 VAL 42 HG11 VAL 42 -6.937 1.192 -0.410 323 HG12 VAL 42 HG12 VAL 42 -7.931 2.314 0.551 324 HG13 VAL 42 HG13 VAL 42 -6.611 1.403 1.317 325 HG21 VAL 42 HG21 VAL 42 -9.610 1.404 2.239 326 HG22 VAL 42 HG22 VAL 42 -9.570 -0.324 2.627 327 HG23 VAL 42 HG23 VAL 42 -8.183 0.685 3.003 328 H VAL 43 H VAL 43 -9.038 -2.439 -0.685 329 HA VAL 43 HA VAL 43 -7.372 -2.277 -2.963 330 HB VAL 43 HB VAL 43 -9.102 -4.568 -1.923 331 HG11 VAL 43 HG11 VAL 43 -6.875 -4.577 -3.981 332 HG12 VAL 43 HG12 VAL 43 -7.483 -6.021 -3.158 333 HG13 VAL 43 HG13 VAL 43 -8.556 -5.093 -4.222 334 HG21 VAL 43 HG21 VAL 43 -7.300 -3.748 -0.341 335 HG22 VAL 43 HG22 VAL 43 -7.051 -5.404 -0.908 336 HG23 VAL 43 HG23 VAL 43 -6.109 -4.075 -1.607 337 H GLN 44 H GLN 44 -10.946 -2.545 -2.673 338 HA GLN 44 HA GLN 44 -11.423 -2.879 -5.465 339 HB2 GLN 44 HB2 GLN 44 -13.223 -1.707 -3.313 340 HB3 GLN 44 HB3 GLN 44 -13.736 -2.021 -4.959 341 HG2 GLN 44 HG2 GLN 44 -12.744 -4.163 -3.042 342 HG3 GLN 44 HG3 GLN 44 -14.421 -3.764 -3.343 343 HE21 GLN 44 HE21 GLN 44 -12.202 -6.076 -4.015 344 HE22 GLN 44 HE22 GLN 44 -12.929 -6.689 -5.455 345 H HIS 45 H HIS 45 -10.537 0.049 -3.592 346 HA HIS 45 HA HIS 45 -11.541 1.887 -5.587 347 HB2 HIS 45 HB2 HIS 45 -11.101 2.950 -3.580 348 HB3 HIS 45 HB3 HIS 45 -9.602 2.104 -3.297 349 HD1 HIS 45 HD1 HIS 45 -10.913 5.144 -5.203 350 HD2 HIS 45 HD2 HIS 45 -7.347 3.004 -4.452 351 HE1 HIS 45 HE1 HIS 45 -9.010 6.624 -5.974 352 H THR 46 H THR 46 -8.186 0.503 -5.024 353 HA THR 46 HA THR 46 -7.200 1.678 -7.362 354 HB THR 46 HB THR 46 -5.761 0.886 -5.591 355 HG1 THR 46 HG1 THR 46 -5.253 0.002 -8.192 356 HG21 THR 46 HG21 THR 46 -6.587 -1.270 -4.985 357 HG22 THR 46 HG22 THR 46 -4.973 -1.512 -5.662 358 HG23 THR 46 HG23 THR 46 -6.423 -1.899 -6.636 359 H LYS 47 H LYS 47 -9.123 -1.174 -7.136 360 HA LYS 47 HA LYS 47 -8.294 -2.788 -9.199 361 HB2 LYS 47 HB2 LYS 47 -10.326 -3.818 -9.179 362 HB3 LYS 47 HB3 LYS 47 -10.279 -3.035 -7.595 363 HG2 LYS 47 HG2 LYS 47 -11.701 -1.171 -8.717 364 HG3 LYS 47 HG3 LYS 47 -11.878 -2.239 -10.094 365 HD2 LYS 47 HD2 LYS 47 -13.283 -3.695 -9.023 366 HD3 LYS 47 HD3 LYS 47 -12.551 -3.430 -7.451 367 HE2 LYS 47 HE2 LYS 47 -14.853 -2.654 -7.477 368 HE3 LYS 47 HE3 LYS 47 -13.724 -1.350 -7.119 369 HZ1 LYS 47 HZ1 LYS 47 -15.464 -0.695 -8.644 370 HZ2 LYS 47 HZ2 LYS 47 -14.960 -1.786 -9.763 371 HZ3 LYS 47 HZ3 LYS 47 -13.999 -0.508 -9.334 372 H GLY 48 H GLY 48 -10.079 0.198 -9.594 373 HA2 GLY 48 HA2 GLY 48 -9.723 -0.043 -12.548 374 HA3 GLY 48 HA3 GLY 48 -11.187 0.642 -11.829 375 H CYS 49 H CYS 49 -8.478 1.479 -9.969 376 HA CYS 49 HA CYS 49 -8.736 4.277 -10.768 377 HB2 CYS 49 HB2 CYS 49 -8.440 3.518 -8.373 378 HB3 CYS 49 HB3 CYS 49 -6.764 3.047 -8.827 379 H LYS 50 H LYS 50 -7.827 4.822 -12.649 380 HA LYS 50 HA LYS 50 -4.977 4.174 -13.062 381 HB2 LYS 50 HB2 LYS 50 -7.138 3.408 -14.810 382 HB3 LYS 50 HB3 LYS 50 -6.136 4.582 -15.651 383 HG2 LYS 50 HG2 LYS 50 -5.117 2.050 -14.323 384 HG3 LYS 50 HG3 LYS 50 -5.370 2.286 -16.056 385 HD2 LYS 50 HD2 LYS 50 -3.701 4.165 -16.008 386 HD3 LYS 50 HD3 LYS 50 -3.354 3.810 -14.322 387 HE2 LYS 50 HE2 LYS 50 -2.901 1.951 -16.681 388 HE3 LYS 50 HE3 LYS 50 -1.678 2.850 -15.784 389 HZ1 LYS 50 HZ1 LYS 50 -1.577 0.780 -14.871 390 HZ2 LYS 50 HZ2 LYS 50 -3.212 0.517 -14.882 391 HZ3 LYS 50 HZ3 LYS 50 -2.565 1.525 -13.779 392 H ARG 51 H ARG 51 -6.928 6.530 -12.189 393 HA ARG 51 HA ARG 51 -6.336 8.798 -13.692 394 HB2 ARG 51 HB2 ARG 51 -8.022 8.649 -11.910 395 HB3 ARG 51 HB3 ARG 51 -6.754 8.510 -10.687 396 HG2 ARG 51 HG2 ARG 51 -6.038 10.768 -11.033 397 HG3 ARG 51 HG3 ARG 51 -7.008 10.949 -12.497 398 HD2 ARG 51 HD2 ARG 51 -8.120 10.452 -9.715 399 HD3 ARG 51 HD3 ARG 51 -7.891 12.065 -10.394 400 HE ARG 51 HE ARG 51 -9.388 11.175 -12.316 401 HH11 ARG 51 HH11 ARG 51 -9.867 10.767 -8.828 402 HH12 ARG 51 HH12 ARG 51 -11.576 10.407 -8.972 403 HH21 ARG 51 HH21 ARG 51 -11.721 10.805 -12.455 404 HH22 ARG 51 HH22 ARG 51 -12.580 10.449 -10.980 405 H LYS 52 H LYS 52 -4.004 6.928 -12.159 406 HA LYS 52 HA LYS 52 -2.148 8.625 -11.040 407 HB2 LYS 52 HB2 LYS 52 -1.142 6.522 -12.968 408 HB3 LYS 52 HB3 LYS 52 -0.582 6.934 -11.356 409 HG2 LYS 52 HG2 LYS 52 -2.640 5.800 -10.429 410 HG3 LYS 52 HG3 LYS 52 -3.093 5.363 -12.075 411 HD2 LYS 52 HD2 LYS 52 -2.093 3.440 -11.169 412 HD3 LYS 52 HD3 LYS 52 -0.944 4.095 -12.336 413 HE2 LYS 52 HE2 LYS 52 0.181 3.275 -10.367 414 HE3 LYS 52 HE3 LYS 52 0.340 5.041 -10.383 415 HZ1 LYS 52 HZ1 LYS 52 -1.288 5.225 -8.749 416 HZ2 LYS 52 HZ2 LYS 52 -0.373 3.959 -8.232 417 HZ3 LYS 52 HZ3 LYS 52 -1.852 3.692 -8.964 418 H THR 53 H THR 53 -2.498 7.766 -14.549 419 HA THR 53 HA THR 53 -0.539 9.334 -15.608 420 HB THR 53 HB THR 53 -3.255 8.914 -16.898 421 HG1 THR 53 HG1 THR 53 -2.889 6.832 -17.167 422 HG21 THR 53 HG21 THR 53 -0.366 8.737 -17.857 423 HG22 THR 53 HG22 THR 53 -1.582 9.961 -18.291 424 HG23 THR 53 HG23 THR 53 -1.778 8.295 -18.835 425 H ASN 54 H ASN 54 -3.716 10.405 -14.470 426 HA ASN 54 HA ASN 54 -3.374 13.069 -15.738 427 HB2 ASN 54 HB2 ASN 54 -5.810 11.658 -14.655 428 HB3 ASN 54 HB3 ASN 54 -5.767 13.383 -15.026 429 HD21 ASN 54 HD21 ASN 54 -7.368 13.201 -16.765 430 HD22 ASN 54 HD22 ASN 54 -6.910 12.404 -18.254 431 H GLY 55 H GLY 55 -2.516 11.589 -12.847 432 HA2 GLY 55 HA2 GLY 55 -1.653 13.811 -11.521 433 HA3 GLY 55 HA3 GLY 55 -3.347 13.654 -11.021 434 H GLY 56 H GLY 56 -4.031 11.502 -10.184 435 HA2 GLY 56 HA2 GLY 56 -3.466 9.264 -9.420 436 HA3 GLY 56 HA3 GLY 56 -1.856 9.852 -8.971 437 H CYS 57 H CYS 57 -4.892 9.127 -7.817 438 HA CYS 57 HA CYS 57 -5.188 11.204 -5.834 439 HB2 CYS 57 HB2 CYS 57 -7.059 9.623 -5.021 440 HB3 CYS 57 HB3 CYS 57 -7.176 10.336 -6.617 441 HA PRO 58 HA PRO 58 -2.561 9.857 -2.694 442 HB2 PRO 58 HB2 PRO 58 -3.933 9.836 -0.304 443 HB3 PRO 58 HB3 PRO 58 -3.515 11.316 -1.224 444 HG2 PRO 58 HG2 PRO 58 -6.111 9.766 -1.323 445 HG3 PRO 58 HG3 PRO 58 -5.885 11.528 -1.051 446 HD2 PRO 58 HD2 PRO 58 -6.457 10.655 -3.488 447 HD3 PRO 58 HD3 PRO 58 -5.164 11.850 -3.297 448 H ILE 59 H ILE 59 -5.532 7.846 -2.297 449 HA ILE 59 HA ILE 59 -4.396 5.838 -0.761 450 HB ILE 59 HB ILE 59 -6.505 5.384 -2.909 451 HG12 ILE 59 HG12 ILE 59 -7.973 5.650 -0.658 452 HG13 ILE 59 HG13 ILE 59 -6.668 6.754 -0.237 453 HG21 ILE 59 HG21 ILE 59 -6.045 3.974 -0.246 454 HG22 ILE 59 HG22 ILE 59 -7.259 3.572 -1.482 455 HG23 ILE 59 HG23 ILE 59 -5.540 3.344 -1.811 456 HD11 ILE 59 HD11 ILE 59 -8.277 8.066 -1.239 457 HD12 ILE 59 HD12 ILE 59 -7.169 7.845 -2.592 458 HD13 ILE 59 HD13 ILE 59 -8.654 6.879 -2.517 459 H CYS 60 H CYS 60 -4.781 5.673 -4.359 460 HA CYS 60 HA CYS 60 -3.020 3.405 -4.465 461 HB2 CYS 60 HB2 CYS 60 -3.083 3.677 -6.878 462 HB3 CYS 60 HB3 CYS 60 -4.646 3.614 -6.079 463 H LYS 61 H LYS 61 -2.385 6.822 -4.735 464 HA LYS 61 HA LYS 61 0.307 6.689 -5.811 465 HB2 LYS 61 HB2 LYS 61 -1.081 8.760 -4.107 466 HB3 LYS 61 HB3 LYS 61 0.660 8.751 -4.114 467 HG2 LYS 61 HG2 LYS 61 0.782 8.993 -6.527 468 HG3 LYS 61 HG3 LYS 61 -0.990 8.996 -6.647 469 HD2 LYS 61 HD2 LYS 61 -1.165 11.025 -5.378 470 HD3 LYS 61 HD3 LYS 61 0.550 10.997 -4.942 471 HE2 LYS 61 HE2 LYS 61 1.281 11.566 -7.102 472 HE3 LYS 61 HE3 LYS 61 -0.272 11.153 -7.851 473 HZ1 LYS 61 HZ1 LYS 61 -1.265 13.038 -6.969 474 HZ2 LYS 61 HZ2 LYS 61 0.183 13.588 -7.522 475 HZ3 LYS 61 HZ3 LYS 61 -0.042 13.386 -5.926 476 H GLN 62 H GLN 62 -0.841 6.590 -2.378 477 HA GLN 62 HA GLN 62 1.868 6.105 -1.454 478 HB2 GLN 62 HB2 GLN 62 -0.834 5.903 -0.073 479 HB3 GLN 62 HB3 GLN 62 0.702 5.623 0.737 480 HG2 GLN 62 HG2 GLN 62 -0.221 8.224 -0.550 481 HG3 GLN 62 HG3 GLN 62 -0.021 7.916 1.169 482 HE21 GLN 62 HE21 GLN 62 2.578 6.547 1.065 483 HE22 GLN 62 HE22 GLN 62 3.735 7.687 0.414 484 H LEU 63 H LEU 63 -0.698 3.981 -2.618 485 HA LEU 63 HA LEU 63 0.192 1.656 -1.271 486 HB2 LEU 63 HB2 LEU 63 -1.956 1.794 -2.473 487 HB3 LEU 63 HB3 LEU 63 -1.102 1.891 -4.018 488 HG LEU 63 HG LEU 63 -0.237 -0.367 -3.767 489 HD11 LEU 63 HD11 LEU 63 0.101 -0.549 -1.351 490 HD12 LEU 63 HD12 LEU 63 -0.974 -1.821 -1.905 491 HD13 LEU 63 HD13 LEU 63 -1.645 -0.400 -1.057 492 HD21 LEU 63 HD21 LEU 63 -2.289 -1.594 -3.986 493 HD22 LEU 63 HD22 LEU 63 -2.583 0.020 -4.646 494 HD23 LEU 63 HD23 LEU 63 -3.184 -0.411 -3.022 495 H ILE 64 H ILE 64 1.420 3.325 -4.127 496 HA ILE 64 HA ILE 64 3.188 1.371 -5.183 497 HB ILE 64 HB ILE 64 3.300 4.412 -5.084 498 HG12 ILE 64 HG12 ILE 64 2.514 2.607 -7.418 499 HG13 ILE 64 HG13 ILE 64 1.342 3.273 -6.286 500 HG21 ILE 64 HG21 ILE 64 4.861 2.762 -7.062 501 HG22 ILE 64 HG22 ILE 64 4.938 4.506 -6.791 502 HG23 ILE 64 HG23 ILE 64 5.567 3.420 -5.578 503 HD11 ILE 64 HD11 ILE 64 1.470 4.636 -8.292 504 HD12 ILE 64 HD12 ILE 64 1.963 5.552 -6.859 505 HD13 ILE 64 HD13 ILE 64 3.181 4.968 -8.013 506 H ALA 65 H ALA 65 3.646 3.890 -2.696 507 HA ALA 65 HA ALA 65 6.370 3.462 -2.139 508 HB1 ALA 65 HB1 ALA 65 4.240 4.368 -0.148 509 HB2 ALA 65 HB2 ALA 65 5.969 4.736 -0.135 510 HB3 ALA 65 HB3 ALA 65 4.925 5.409 -1.414 511 H LEU 66 H LEU 66 3.414 1.985 -0.741 512 HA LEU 66 HA LEU 66 4.869 0.432 1.257 513 HB2 LEU 66 HB2 LEU 66 2.044 0.053 0.130 514 HB3 LEU 66 HB3 LEU 66 2.751 -0.850 1.463 515 HG LEU 66 HG LEU 66 1.890 2.044 1.428 516 HD11 LEU 66 HD11 LEU 66 0.719 1.270 3.512 517 HD12 LEU 66 HD12 LEU 66 1.381 -0.336 3.273 518 HD13 LEU 66 HD13 LEU 66 0.255 0.340 2.084 519 HD21 LEU 66 HD21 LEU 66 2.975 2.062 3.824 520 HD22 LEU 66 HD22 LEU 66 4.005 2.355 2.419 521 HD23 LEU 66 HD23 LEU 66 3.978 0.768 3.188 522 H ALA 67 H ALA 67 3.623 -0.274 -2.010 523 HA ALA 67 HA ALA 67 4.290 -3.012 -2.026 524 HB1 ALA 67 HB1 ALA 67 4.281 -2.762 -4.479 525 HB2 ALA 67 HB2 ALA 67 2.895 -1.954 -3.715 526 HB3 ALA 67 HB3 ALA 67 4.269 -0.999 -4.315 527 H ALA 68 H ALA 68 6.283 -0.144 -2.901 528 HA ALA 68 HA ALA 68 8.654 -1.589 -3.632 529 HB1 ALA 68 HB1 ALA 68 8.305 1.245 -2.542 530 HB2 ALA 68 HB2 ALA 68 9.764 0.606 -3.320 531 HB3 ALA 68 HB3 ALA 68 8.273 0.773 -4.258 532 H TYR 69 H TYR 69 7.530 -0.286 -0.509 533 HA TYR 69 HA TYR 69 9.952 -0.925 0.904 534 HB2 TYR 69 HB2 TYR 69 8.476 0.704 1.832 535 HB3 TYR 69 HB3 TYR 69 7.079 -0.360 1.730 536 HD1 TYR 69 HD1 TYR 69 9.873 0.674 3.849 537 HD2 TYR 69 HD2 TYR 69 6.893 -2.339 3.146 538 HE1 TYR 69 HE1 TYR 69 10.424 -0.383 6.028 539 HE2 TYR 69 HE2 TYR 69 7.406 -3.420 5.301 540 HH TYR 69 HH TYR 69 10.416 -2.599 6.938 541 H HIS 70 H HIS 70 6.840 -2.779 0.536 542 HA HIS 70 HA HIS 70 7.720 -5.017 2.040 543 HB2 HIS 70 HB2 HIS 70 5.484 -4.947 1.926 544 HB3 HIS 70 HB3 HIS 70 5.426 -4.278 0.300 545 HD1 HIS 70 HD1 HIS 70 4.846 -7.530 2.044 546 HD2 HIS 70 HD2 HIS 70 5.737 -6.036 -1.801 547 HE1 HIS 70 HE1 HIS 70 4.212 -9.353 0.351 548 H ALA 71 H ALA 71 7.964 -4.235 -1.468 549 HA ALA 71 HA ALA 71 8.816 -6.761 -2.308 550 HB1 ALA 71 HB1 ALA 71 9.838 -5.463 -4.227 551 HB2 ALA 71 HB2 ALA 71 8.166 -4.996 -3.890 552 HB3 ALA 71 HB3 ALA 71 9.517 -3.966 -3.349 553 H LYS 72 H LYS 72 10.567 -4.419 -0.399 554 HA LYS 72 HA LYS 72 13.156 -5.317 -1.185 555 HB2 LYS 72 HB2 LYS 72 14.012 -3.860 0.345 556 HB3 LYS 72 HB3 LYS 72 12.387 -3.185 0.200 557 HG2 LYS 72 HG2 LYS 72 11.793 -4.455 2.338 558 HG3 LYS 72 HG3 LYS 72 13.484 -4.939 2.417 559 HD2 LYS 72 HD2 LYS 72 13.239 -3.111 3.877 560 HD3 LYS 72 HD3 LYS 72 14.191 -2.578 2.484 561 HE2 LYS 72 HE2 LYS 72 12.054 -1.623 1.509 562 HE3 LYS 72 HE3 LYS 72 11.230 -2.033 3.021 563 HZ1 LYS 72 HZ1 LYS 72 13.634 -0.323 2.881 564 HZ2 LYS 72 HZ2 LYS 72 12.645 -0.500 4.178 565 HZ3 LYS 72 HZ3 LYS 72 12.116 0.300 2.847 566 H HIS 73 H HIS 73 10.688 -6.751 0.787 567 HA HIS 73 HA HIS 73 12.571 -8.795 1.905 568 HB2 HIS 73 HB2 HIS 73 9.839 -8.101 3.003 569 HB3 HIS 73 HB3 HIS 73 11.094 -9.061 3.756 570 HD1 HIS 73 HD1 HIS 73 9.433 -6.177 4.575 571 HD2 HIS 73 HD2 HIS 73 13.516 -7.123 4.087 572 HE1 HIS 73 HE1 HIS 73 10.691 -4.607 6.042 573 H CYS 74 H CYS 74 9.983 -8.185 -0.274 574 HA CYS 74 HA CYS 74 9.025 -11.015 -0.254 575 HB2 CYS 74 HB2 CYS 74 7.402 -9.061 0.345 576 HB3 CYS 74 HB3 CYS 74 7.606 -8.554 -1.311 577 H GLN 75 H GLN 75 10.294 -11.926 -1.784 578 HA GLN 75 HA GLN 75 10.058 -10.869 -4.532 579 HB2 GLN 75 HB2 GLN 75 12.780 -11.568 -3.318 580 HB3 GLN 75 HB3 GLN 75 12.419 -11.112 -4.987 581 HG2 GLN 75 HG2 GLN 75 11.664 -8.882 -4.186 582 HG3 GLN 75 HG3 GLN 75 12.115 -9.344 -2.536 583 HE21 GLN 75 HE21 GLN 75 13.208 -7.198 -3.045 584 HE22 GLN 75 HE22 GLN 75 14.888 -7.288 -3.597 585 H GLU 76 H GLU 76 8.526 -12.618 -4.499 586 HA GLU 76 HA GLU 76 9.823 -15.313 -4.573 587 HB2 GLU 76 HB2 GLU 76 7.410 -16.039 -4.081 588 HB3 GLU 76 HB3 GLU 76 8.412 -15.427 -2.765 589 HG2 GLU 76 HG2 GLU 76 7.258 -13.274 -2.822 590 HG3 GLU 76 HG3 GLU 76 6.336 -13.799 -4.236 591 H ASN 77 H ASN 77 8.401 -16.857 -5.923 592 HA ASN 77 HA ASN 77 8.624 -16.010 -8.617 593 HB2 ASN 77 HB2 ASN 77 8.629 -18.390 -7.828 594 HB3 ASN 77 HB3 ASN 77 6.872 -18.280 -7.613 595 HD21 ASN 77 HD21 ASN 77 9.439 -17.580 -10.139 596 HD22 ASN 77 HD22 ASN 77 8.360 -17.938 -11.462 597 H LYS 78 H LYS 78 5.729 -16.197 -6.508 598 HA LYS 78 HA LYS 78 4.328 -14.365 -8.376 599 HB2 LYS 78 HB2 LYS 78 3.091 -16.821 -7.078 600 HB3 LYS 78 HB3 LYS 78 2.245 -15.628 -8.058 601 HG2 LYS 78 HG2 LYS 78 4.447 -17.476 -9.039 602 HG3 LYS 78 HG3 LYS 78 2.728 -17.742 -9.257 603 HD2 LYS 78 HD2 LYS 78 2.483 -15.875 -10.727 604 HD3 LYS 78 HD3 LYS 78 4.112 -15.263 -10.365 605 HE2 LYS 78 HE2 LYS 78 5.146 -17.226 -11.364 606 HE3 LYS 78 HE3 LYS 78 3.557 -17.964 -11.610 607 HZ1 LYS 78 HZ1 LYS 78 4.656 -15.614 -13.041 608 HZ2 LYS 78 HZ2 LYS 78 3.053 -16.073 -13.103 609 HZ3 LYS 78 HZ3 LYS 78 4.202 -17.072 -13.652 610 H CYS 79 H CYS 79 5.104 -12.727 -6.856 611 HA CYS 79 HA CYS 79 4.578 -12.583 -4.162 612 HB2 CYS 79 HB2 CYS 79 4.829 -10.564 -6.383 613 HB3 CYS 79 HB3 CYS 79 4.114 -9.997 -4.913 614 HA PRO 80 HA PRO 80 0.133 -12.519 -3.935 615 HB2 PRO 80 HB2 PRO 80 -0.237 -11.558 -1.376 616 HB3 PRO 80 HB3 PRO 80 0.352 -13.206 -1.747 617 HG2 PRO 80 HG2 PRO 80 2.007 -10.760 -1.041 618 HG3 PRO 80 HG3 PRO 80 2.133 -12.420 -0.371 619 HD2 PRO 80 HD2 PRO 80 3.761 -11.514 -2.354 620 HD3 PRO 80 HD3 PRO 80 3.181 -13.206 -2.333 621 H VAL 81 H VAL 81 1.929 -9.488 -3.059 622 HA VAL 81 HA VAL 81 -0.403 -7.808 -3.320 623 HB VAL 81 HB VAL 81 2.576 -7.223 -3.066 624 HG11 VAL 81 HG11 VAL 81 1.887 -4.917 -2.462 625 HG12 VAL 81 HG12 VAL 81 1.403 -5.292 -4.115 626 HG13 VAL 81 HG13 VAL 81 0.191 -5.316 -2.825 627 HG21 VAL 81 HG21 VAL 81 1.722 -8.294 -1.086 628 HG22 VAL 81 HG22 VAL 81 1.988 -6.582 -0.764 629 HG23 VAL 81 HG23 VAL 81 0.333 -7.187 -1.034 630 HA PRO 82 HA PRO 82 0.160 -7.991 -7.802 631 HB2 PRO 82 HB2 PRO 82 -1.755 -6.167 -8.580 632 HB3 PRO 82 HB3 PRO 82 -2.118 -7.833 -8.055 633 HG2 PRO 82 HG2 PRO 82 -2.194 -5.274 -6.427 634 HG3 PRO 82 HG3 PRO 82 -3.429 -6.559 -6.544 635 HD2 PRO 82 HD2 PRO 82 -1.661 -6.463 -4.484 636 HD3 PRO 82 HD3 PRO 82 -2.152 -8.034 -5.188 637 H PHE 83 H PHE 83 0.189 -4.961 -5.928 638 HA PHE 83 HA PHE 83 1.282 -3.362 -8.035 639 HB2 PHE 83 HB2 PHE 83 0.873 -2.994 -5.086 640 HB3 PHE 83 HB3 PHE 83 2.108 -2.029 -5.869 641 HD1 PHE 83 HD1 PHE 83 -1.358 -3.031 -7.041 642 HD2 PHE 83 HD2 PHE 83 1.396 0.155 -6.094 643 HE1 PHE 83 HE1 PHE 83 -3.034 -1.381 -7.705 644 HE2 PHE 83 HE2 PHE 83 -0.317 1.823 -6.766 645 HZ PHE 83 HZ PHE 83 -2.550 1.091 -7.536 646 H CYS 84 H CYS 84 2.745 -5.233 -5.301 647 HA CYS 84 HA CYS 84 5.413 -4.404 -5.941 648 HB2 CYS 84 HB2 CYS 84 6.009 -5.362 -4.034 649 HB3 CYS 84 HB3 CYS 84 4.265 -5.343 -3.687 650 H LEU 85 H LEU 85 3.358 -7.057 -6.884 651 HA LEU 85 HA LEU 85 5.243 -8.799 -7.998 652 HB2 LEU 85 HB2 LEU 85 2.897 -9.370 -7.792 653 HB3 LEU 85 HB3 LEU 85 2.432 -8.035 -8.846 654 HG LEU 85 HG LEU 85 3.537 -9.147 -10.776 655 HD11 LEU 85 HD11 LEU 85 3.961 -11.434 -8.787 656 HD12 LEU 85 HD12 LEU 85 5.225 -10.494 -9.575 657 HD13 LEU 85 HD13 LEU 85 4.208 -11.528 -10.560 658 HD21 LEU 85 HD21 LEU 85 1.433 -10.765 -9.283 659 HD22 LEU 85 HD22 LEU 85 1.778 -10.797 -11.045 660 HD23 LEU 85 HD23 LEU 85 1.145 -9.348 -10.300 661 H ASN 86 H ASN 86 4.005 -5.729 -9.222 662 HA ASN 86 HA ASN 86 5.122 -5.967 -11.912 663 HB2 ASN 86 HB2 ASN 86 3.315 -4.339 -11.475 664 HB3 ASN 86 HB3 ASN 86 4.338 -3.524 -10.285 665 HD21 ASN 86 HD21 ASN 86 3.989 -4.178 -13.808 666 HD22 ASN 86 HD22 ASN 86 5.016 -2.825 -14.253 667 H ILE 87 H ILE 87 6.224 -4.577 -8.820 668 HA ILE 87 HA ILE 87 8.561 -3.274 -9.646 669 HB ILE 87 HB ILE 87 7.958 -4.660 -6.988 670 HG12 ILE 87 HG12 ILE 87 7.597 -1.770 -7.904 671 HG13 ILE 87 HG13 ILE 87 6.300 -2.946 -7.670 672 HG21 ILE 87 HG21 ILE 87 10.115 -2.703 -7.655 673 HG22 ILE 87 HG22 ILE 87 9.679 -3.194 -5.985 674 HG23 ILE 87 HG23 ILE 87 10.320 -4.377 -7.094 675 HD11 ILE 87 HD11 ILE 87 7.244 -3.160 -5.229 676 HD12 ILE 87 HD12 ILE 87 7.964 -1.571 -5.618 677 HD13 ILE 87 HD13 ILE 87 6.199 -1.813 -5.686 678 H LYS 88 H LYS 88 8.166 -6.681 -8.508 679 HA LYS 88 HA LYS 88 10.876 -7.396 -8.860 680 HB2 LYS 88 HB2 LYS 88 9.260 -8.838 -7.699 681 HB3 LYS 88 HB3 LYS 88 8.362 -9.101 -9.208 682 HG2 LYS 88 HG2 LYS 88 10.401 -10.126 -10.211 683 HG3 LYS 88 HG3 LYS 88 11.254 -9.917 -8.666 684 HD2 LYS 88 HD2 LYS 88 9.595 -11.463 -7.638 685 HD3 LYS 88 HD3 LYS 88 8.767 -11.577 -9.222 686 HE2 LYS 88 HE2 LYS 88 10.994 -12.310 -10.223 687 HE3 LYS 88 HE3 LYS 88 11.641 -12.375 -8.578 688 HZ1 LYS 88 HZ1 LYS 88 9.483 -14.028 -9.699 689 HZ2 LYS 88 HZ2 LYS 88 9.832 -13.953 -8.074 690 HZ3 LYS 88 HZ3 LYS 88 10.955 -14.514 -9.137 691 H GLN 89 H GLN 89 8.199 -7.715 -11.231 692 HA GLN 89 HA GLN 89 9.757 -8.833 -13.316 693 HB2 GLN 89 HB2 GLN 89 7.273 -7.087 -13.500 694 HB3 GLN 89 HB3 GLN 89 7.895 -8.100 -14.793 695 HG2 GLN 89 HG2 GLN 89 7.000 -9.224 -12.105 696 HG3 GLN 89 HG3 GLN 89 5.902 -8.956 -13.450 697 HE21 GLN 89 HE21 GLN 89 6.433 -11.496 -12.149 698 HE22 GLN 89 HE22 GLN 89 6.842 -12.491 -13.538 699 H LYS 90 H LYS 90 9.030 -5.394 -12.574 700 HA LYS 90 HA LYS 90 10.600 -4.494 -14.893 701 HB2 LYS 90 HB2 LYS 90 8.905 -3.127 -12.764 702 HB3 LYS 90 HB3 LYS 90 9.814 -2.213 -13.941 703 HG2 LYS 90 HG2 LYS 90 7.766 -4.351 -14.703 704 HG3 LYS 90 HG3 LYS 90 7.364 -2.651 -14.497 705 HD2 LYS 90 HD2 LYS 90 9.371 -3.701 -16.558 706 HD3 LYS 90 HD3 LYS 90 7.689 -3.246 -16.872 707 HE2 LYS 90 HE2 LYS 90 8.164 -0.950 -16.025 708 HE3 LYS 90 HE3 LYS 90 9.860 -1.390 -15.799 709 HZ1 LYS 90 HZ1 LYS 90 10.131 -1.554 -18.127 710 HZ2 LYS 90 HZ2 LYS 90 9.330 -0.152 -17.831 711 HZ3 LYS 90 HZ3 LYS 90 8.510 -1.460 -18.406 712 H GLY 91 H GLY 91 11.495 -5.260 -11.699 713 HA2 GLY 91 HA2 GLY 91 13.259 -3.179 -11.082 714 HA3 GLY 91 HA3 GLY 91 13.297 -4.812 -10.431 715 H THR 92 H THR 92 13.692 -4.760 -13.857 716 HA THR 92 HA THR 92 16.190 -5.956 -13.859 717 HB THR 92 HB THR 92 15.853 -5.521 -16.361 718 HG1 THR 92 HG1 THR 92 13.739 -4.931 -16.855 719 HG21 THR 92 HG21 THR 92 15.176 -7.609 -15.163 720 HG22 THR 92 HG22 THR 92 14.064 -7.191 -16.471 721 HG23 THR 92 HG23 THR 92 13.608 -6.870 -14.792 722 H ILE 93 H ILE 93 15.508 -2.474 -13.901 723 HA ILE 93 HA ILE 93 18.313 -1.910 -14.701 724 HB ILE 93 HB ILE 93 15.826 -0.160 -14.641 725 HG12 ILE 93 HG12 ILE 93 15.538 -1.877 -16.334 726 HG13 ILE 93 HG13 ILE 93 15.787 -0.313 -17.075 727 HG21 ILE 93 HG21 ILE 93 18.605 0.450 -15.638 728 HG22 ILE 93 HG22 ILE 93 17.165 1.343 -16.192 729 HG23 ILE 93 HG23 ILE 93 17.610 1.356 -14.491 730 HD11 ILE 93 HD11 ILE 93 17.883 -2.524 -16.851 731 HD12 ILE 93 HD12 ILE 93 17.001 -2.028 -18.310 732 HD13 ILE 93 HD13 ILE 93 18.170 -0.925 -17.560 733 H GLU 94 H GLU 94 16.710 -2.484 -11.896 734 HA GLU 94 HA GLU 94 18.450 -0.616 -10.357 735 HB2 GLU 94 HB2 GLU 94 16.516 -0.180 -8.888 736 HB3 GLU 94 HB3 GLU 94 16.212 0.297 -10.557 737 HG2 GLU 94 HG2 GLU 94 15.053 -1.949 -10.901 738 HG3 GLU 94 HG3 GLU 94 15.188 -2.241 -9.197 739 H GLY 95 H GLY 95 17.147 -1.679 -7.854 740 HA2 GLY 95 HA2 GLY 95 17.486 -4.365 -7.503 741 HA3 GLY 95 HA3 GLY 95 19.120 -3.733 -7.314 742 H ARG 96 H ARG 96 18.288 -1.166 -6.011 743 HA ARG 96 HA ARG 96 17.012 -2.067 -3.490 744 HB2 ARG 96 HB2 ARG 96 19.629 -0.538 -3.806 745 HB3 ARG 96 HB3 ARG 96 18.781 -0.775 -2.290 746 HG2 ARG 96 HG2 ARG 96 19.881 -3.002 -4.004 747 HG3 ARG 96 HG3 ARG 96 20.682 -2.339 -2.584 748 HD2 ARG 96 HD2 ARG 96 19.027 -3.219 -1.106 749 HD3 ARG 96 HD3 ARG 96 17.917 -3.577 -2.442 750 HE ARG 96 HE ARG 96 20.495 -4.913 -2.595 751 HH11 ARG 96 HH11 ARG 96 16.993 -5.359 -1.709 752 HH12 ARG 96 HH12 ARG 96 17.232 -7.098 -1.677 753 HH21 ARG 96 HH21 ARG 96 20.551 -7.121 -2.676 754 HH22 ARG 96 HH22 ARG 96 19.147 -8.064 -2.255 755 H GLY 97 H GLY 97 15.773 -0.591 -5.635 756 HA2 GLY 97 HA2 GLY 97 15.691 2.236 -4.949 757 HA3 GLY 97 HA3 GLY 97 14.614 1.352 -6.046 758 H ASN 98 H ASN 98 15.395 1.632 -2.571 759 HA ASN 98 HA ASN 98 12.505 1.216 -1.852 760 HB2 ASN 98 HB2 ASN 98 15.005 0.622 -0.217 761 HB3 ASN 98 HB3 ASN 98 13.341 0.383 0.315 762 HD21 ASN 98 HD21 ASN 98 12.143 -1.013 -1.924 763 HD22 ASN 98 HD22 ASN 98 12.975 -2.488 -2.077 764 H GLU 99 H GLU 99 12.521 3.631 -2.484 765 HA GLU 99 HA GLU 99 12.987 5.209 -0.083 766 HB2 GLU 99 HB2 GLU 99 14.065 7.013 -1.438 767 HB3 GLU 99 HB3 GLU 99 15.074 5.617 -1.112 768 HG2 GLU 99 HG2 GLU 99 14.959 4.835 -3.369 769 HG3 GLU 99 HG3 GLU 99 13.579 5.870 -3.740 770 H PHE 100 H PHE 100 11.416 6.616 0.169 771 HA PHE 100 HA PHE 100 9.838 7.741 -1.935 772 HB2 PHE 100 HB2 PHE 100 8.783 5.408 -1.538 773 HB3 PHE 100 HB3 PHE 100 8.317 5.988 0.056 774 HD1 PHE 100 HD1 PHE 100 7.786 6.348 -3.637 775 HD2 PHE 100 HD2 PHE 100 6.525 7.671 0.277 776 HE1 PHE 100 HE1 PHE 100 5.924 7.526 -4.641 777 HE2 PHE 100 HE2 PHE 100 4.664 8.949 -0.792 778 HZ PHE 100 HZ PHE 100 4.335 8.849 -3.237 779 H LEU 101 H LEU 101 8.258 9.326 -0.863 780 HA LEU 101 HA LEU 101 9.090 10.183 1.864 781 HB2 LEU 101 HB2 LEU 101 8.763 11.922 -0.626 782 HB3 LEU 101 HB3 LEU 101 8.549 12.511 1.019 783 HG LEU 101 HG LEU 101 10.908 11.455 1.468 784 HD11 LEU 101 HD11 LEU 101 11.076 11.944 -1.540 785 HD12 LEU 101 HD12 LEU 101 11.209 10.367 -0.742 786 HD13 LEU 101 HD13 LEU 101 12.429 11.598 -0.456 787 HD21 LEU 101 HD21 LEU 101 11.955 13.598 0.902 788 HD22 LEU 101 HD22 LEU 101 10.367 13.857 1.624 789 HD23 LEU 101 HD23 LEU 101 10.580 14.027 -0.134 790 H SER 102 H SER 102 7.360 9.191 2.768 791 HA SER 102 HA SER 102 4.667 9.401 1.632 792 HB2 SER 102 HB2 SER 102 4.425 7.889 3.853 793 HB3 SER 102 HB3 SER 102 4.897 7.230 2.286 794 HG SER 102 HG SER 102 6.245 6.717 4.234 795 HA PRO 103 HA PRO 103 4.674 12.871 4.653 796 HB2 PRO 103 HB2 PRO 103 2.609 14.325 3.638 797 HB3 PRO 103 HB3 PRO 103 4.191 14.260 2.805 798 HG2 PRO 103 HG2 PRO 103 1.712 12.607 2.225 799 HG3 PRO 103 HG3 PRO 103 2.715 13.548 1.070 800 HD2 PRO 103 HD2 PRO 103 3.051 10.859 1.482 801 HD3 PRO 103 HD3 PRO 103 4.409 11.960 1.098 802 H GLU 104 H GLU 104 2.680 13.734 5.994 803 HA GLU 104 HA GLU 104 1.501 11.664 7.439 804 HB2 GLU 104 HB2 GLU 104 0.684 14.576 7.096 805 HB3 GLU 104 HB3 GLU 104 -0.077 13.510 8.280 806 HG2 GLU 104 HG2 GLU 104 2.908 14.164 8.188 807 HG3 GLU 104 HG3 GLU 104 1.726 14.875 9.286 808 H VAL 105 H VAL 105 0.386 12.906 4.407 809 HA VAL 105 HA VAL 105 -2.345 12.232 4.530 810 HB VAL 105 HB VAL 105 -0.595 12.018 2.057 811 HG11 VAL 105 HG11 VAL 105 -2.895 11.192 1.708 812 HG12 VAL 105 HG12 VAL 105 -3.552 12.684 2.409 813 HG13 VAL 105 HG13 VAL 105 -2.669 12.728 0.871 814 HG21 VAL 105 HG21 VAL 105 -1.878 14.487 3.317 815 HG22 VAL 105 HG22 VAL 105 -0.146 14.196 3.018 816 HG23 VAL 105 HG23 VAL 105 -1.231 14.424 1.661 817 H PHE 106 H PHE 106 0.506 10.224 4.424 818 HA PHE 106 HA PHE 106 -0.480 7.811 3.353 819 HB2 PHE 106 HB2 PHE 106 1.883 8.153 3.827 820 HB3 PHE 106 HB3 PHE 106 1.555 8.454 5.530 821 HD1 PHE 106 HD1 PHE 106 0.959 5.814 2.943 822 HD2 PHE 106 HD2 PHE 106 1.867 6.675 7.062 823 HE1 PHE 106 HE1 PHE 106 1.156 3.423 3.385 824 HE2 PHE 106 HE2 PHE 106 2.034 4.237 7.535 825 HZ PHE 106 HZ PHE 106 1.675 2.588 5.687 826 H GLN 107 H GLN 107 -0.610 9.162 6.683 827 HA GLN 107 HA GLN 107 -2.112 6.882 7.663 828 HB2 GLN 107 HB2 GLN 107 -1.577 9.566 8.973 829 HB3 GLN 107 HB3 GLN 107 -2.290 8.132 9.706 830 HG2 GLN 107 HG2 GLN 107 -0.213 7.614 10.360 831 HG3 GLN 107 HG3 GLN 107 0.023 7.027 8.727 832 HE21 GLN 107 HE21 GLN 107 0.729 9.599 11.028 833 HE22 GLN 107 HE22 GLN 107 1.755 10.566 10.014 834 H HIS 108 H HIS 108 -2.975 10.000 6.300 835 HA HIS 108 HA HIS 108 -5.629 10.215 7.258 836 HB2 HIS 108 HB2 HIS 108 -4.592 10.958 4.485 837 HB3 HIS 108 HB3 HIS 108 -6.100 11.484 5.173 838 HD1 HIS 108 HD1 HIS 108 -5.061 13.968 4.526 839 HD2 HIS 108 HD2 HIS 108 -3.285 11.816 7.717 840 HE1 HIS 108 HE1 HIS 108 -3.689 15.617 5.804 841 H ILE 109 H ILE 109 -4.249 8.240 4.703 842 HA ILE 109 HA ILE 109 -6.633 7.434 3.348 843 HB ILE 109 HB ILE 109 -3.899 6.164 3.674 844 HG12 ILE 109 HG12 ILE 109 -5.020 7.543 1.187 845 HG13 ILE 109 HG13 ILE 109 -4.237 8.470 2.447 846 HG21 ILE 109 HG21 ILE 109 -6.034 5.354 1.666 847 HG22 ILE 109 HG22 ILE 109 -4.361 4.752 1.713 848 HG23 ILE 109 HG23 ILE 109 -5.455 4.384 3.028 849 HD11 ILE 109 HD11 ILE 109 -2.194 7.052 2.222 850 HD12 ILE 109 HD12 ILE 109 -2.939 6.263 0.823 851 HD13 ILE 109 HD13 ILE 109 -2.595 8.005 0.780 852 H TRP 110 H TRP 110 -5.002 6.263 6.339 853 HA TRP 110 HA TRP 110 -6.695 3.911 6.365 854 HB2 TRP 110 HB2 TRP 110 -4.935 4.936 8.582 855 HB3 TRP 110 HB3 TRP 110 -5.513 3.284 8.297 856 HD1 TRP 110 HD1 TRP 110 -2.393 4.769 8.311 857 HE1 TRP 110 HE1 TRP 110 -0.749 3.843 6.563 858 HE3 TRP 110 HE3 TRP 110 -5.680 2.334 5.260 859 HZ2 TRP 110 HZ2 TRP 110 -0.929 2.700 3.903 860 HZ3 TRP 110 HZ3 TRP 110 -4.922 1.317 3.172 861 HH2 TRP 110 HH2 TRP 110 -2.554 1.596 2.394 862 H ASP 111 H ASP 111 -6.844 7.139 7.767 863 HA ASP 111 HA ASP 111 -8.700 6.548 9.848 864 HB2 ASP 111 HB2 ASP 111 -8.362 9.125 8.256 865 HB3 ASP 111 HB3 ASP 111 -9.336 8.962 9.722 866 H PHE 112 H PHE 112 -9.220 7.476 6.460 867 HA PHE 112 HA PHE 112 -12.103 7.441 6.778 868 HB2 PHE 112 HB2 PHE 112 -12.284 8.355 4.743 869 HB3 PHE 112 HB3 PHE 112 -10.626 8.814 5.056 870 HD1 PHE 112 HD1 PHE 112 -12.888 6.708 3.080 871 HD2 PHE 112 HD2 PHE 112 -8.761 7.566 3.909 872 HE1 PHE 112 HE1 PHE 112 -12.219 5.216 1.237 873 HE2 PHE 112 HE2 PHE 112 -8.084 6.114 2.035 874 HZ PHE 112 HZ PHE 112 -9.808 4.940 0.664 875 H LEU 113 H LEU 113 -9.740 4.977 6.247 876 HA LEU 113 HA LEU 113 -11.278 3.217 4.676 877 HB2 LEU 113 HB2 LEU 113 -9.558 1.812 4.848 878 HB3 LEU 113 HB3 LEU 113 -8.749 3.163 5.587 879 HG LEU 113 HG LEU 113 -9.563 2.110 7.868 880 HD11 LEU 113 HD11 LEU 113 -11.046 0.319 6.937 881 HD12 LEU 113 HD12 LEU 113 -9.676 -0.379 7.775 882 HD13 LEU 113 HD13 LEU 113 -9.680 -0.320 5.998 883 HD21 LEU 113 HD21 LEU 113 -7.580 0.479 7.761 884 HD22 LEU 113 HD22 LEU 113 -7.254 2.154 7.409 885 HD23 LEU 113 HD23 LEU 113 -7.397 1.000 6.067 886 H GLU 114 H GLU 114 -11.322 3.906 8.144 887 HA GLU 114 HA GLU 114 -13.474 1.883 8.547 888 HB2 GLU 114 HB2 GLU 114 -11.918 3.436 10.633 889 HB3 GLU 114 HB3 GLU 114 -13.256 2.321 10.942 890 HG2 GLU 114 HG2 GLU 114 -11.779 0.632 9.521 891 HG3 GLU 114 HG3 GLU 114 -10.464 1.704 10.003 892 H GLN 115 H GLN 115 -13.089 5.346 8.135 893 HA GLN 115 HA GLN 115 -16.021 5.599 8.379 894 HB2 GLN 115 HB2 GLN 115 -15.046 6.333 10.542 895 HB3 GLN 115 HB3 GLN 115 -14.160 7.608 9.693 896 HG2 GLN 115 HG2 GLN 115 -16.337 8.514 8.840 897 HG3 GLN 115 HG3 GLN 115 -17.186 7.211 9.670 898 HE21 GLN 115 HE21 GLN 115 -17.572 10.097 9.970 899 HE22 GLN 115 HE22 GLN 115 -17.382 10.405 11.672 900 HA PRO 116 HA PRO 116 -14.469 7.674 4.593 901 HB2 PRO 116 HB2 PRO 116 -16.250 6.718 2.778 902 HB3 PRO 116 HB3 PRO 116 -14.844 5.749 3.295 903 HG2 PRO 116 HG2 PRO 116 -17.684 5.580 4.284 904 HG3 PRO 116 HG3 PRO 116 -16.607 4.246 3.820 905 HD2 PRO 116 HD2 PRO 116 -16.980 5.043 6.451 906 HD3 PRO 116 HD3 PRO 116 -15.428 4.372 5.888 907 H ILE 117 H ILE 117 -15.304 9.623 3.918 908 HA ILE 117 HA ILE 117 -18.107 10.341 4.648 909 HB ILE 117 HB ILE 117 -15.683 12.044 5.102 910 HG12 ILE 117 HG12 ILE 117 -17.641 10.726 7.036 911 HG13 ILE 117 HG13 ILE 117 -15.941 10.312 6.822 912 HG21 ILE 117 HG21 ILE 117 -17.748 13.321 4.303 913 HG22 ILE 117 HG22 ILE 117 -18.621 12.655 5.702 914 HG23 ILE 117 HG23 ILE 117 -17.227 13.730 5.919 915 HD11 ILE 117 HD11 ILE 117 -16.143 11.584 8.828 916 HD12 ILE 117 HD12 ILE 117 -15.299 12.588 7.633 917 HD13 ILE 117 HD13 ILE 117 -17.012 12.888 8.018 918 H SER 118 H SER 118 -15.979 12.300 3.225 919 HA SER 118 HA SER 118 -16.793 11.757 0.402 920 HB2 SER 118 HB2 SER 118 -18.266 13.522 1.676 921 HB3 SER 118 HB3 SER 118 -16.841 14.568 1.566 922 HG SER 118 HG SER 118 -18.311 13.309 -0.519 923 H SER 119 H SER 119 -15.521 14.330 -0.348 924 HA SER 119 HA SER 119 -13.535 14.657 -1.490 925 HB2 SER 119 HB2 SER 119 -12.928 15.279 1.419 926 HB3 SER 119 HB3 SER 119 -12.256 16.090 -0.011 927 HG SER 119 HG SER 119 -14.449 16.653 1.320 928 H VAL 120 H VAL 120 -12.808 12.616 -2.221 929 HA VAL 120 HA VAL 120 -10.504 11.453 -0.714 930 HB VAL 120 HB VAL 120 -12.261 10.147 -2.843 931 HG11 VAL 120 HG11 VAL 120 -9.879 9.247 -2.672 932 HG12 VAL 120 HG12 VAL 120 -10.223 8.892 -0.968 933 HG13 VAL 120 HG13 VAL 120 -11.116 8.065 -2.250 934 HG21 VAL 120 HG21 VAL 120 -13.607 10.403 -0.824 935 HG22 VAL 120 HG22 VAL 120 -13.111 8.718 -0.971 936 HG23 VAL 120 HG23 VAL 120 -12.286 9.784 0.181 937 H GLN 121 H GLN 121 -9.350 13.502 -1.605 938 HA GLN 121 HA GLN 121 -8.471 12.950 -4.351 939 HB2 GLN 121 HB2 GLN 121 -8.782 15.133 -5.101 940 HB3 GLN 121 HB3 GLN 121 -10.314 14.653 -4.419 941 HG2 GLN 121 HG2 GLN 121 -10.017 16.067 -2.501 942 HG3 GLN 121 HG3 GLN 121 -8.315 16.376 -2.886 943 HE21 GLN 121 HE21 GLN 121 -10.645 18.291 -2.551 944 HE22 GLN 121 HE22 GLN 121 -10.544 19.253 -4.018 945 HA PRO 122 HA PRO 122 -4.528 13.820 -2.574 946 HB2 PRO 122 HB2 PRO 122 -3.012 14.563 -4.726 947 HB3 PRO 122 HB3 PRO 122 -3.622 12.893 -4.532 948 HG2 PRO 122 HG2 PRO 122 -4.745 15.119 -6.237 949 HG3 PRO 122 HG3 PRO 122 -4.568 13.384 -6.636 950 HD2 PRO 122 HD2 PRO 122 -6.901 14.554 -5.774 951 HD3 PRO 122 HD3 PRO 122 -6.532 12.828 -5.531 952 H ILE 123 H ILE 123 -3.860 15.510 -1.421 953 HA ILE 123 HA ILE 123 -4.802 18.209 -2.106 954 HB ILE 123 HB ILE 123 -4.059 18.771 0.144 955 HG12 ILE 123 HG12 ILE 123 -3.481 16.892 1.752 956 HG13 ILE 123 HG13 ILE 123 -3.057 15.893 0.373 957 HG21 ILE 123 HG21 ILE 123 -5.743 17.454 1.344 958 HG22 ILE 123 HG22 ILE 123 -6.313 17.853 -0.279 959 HG23 ILE 123 HG23 ILE 123 -5.729 16.218 0.080 960 HD11 ILE 123 HD11 ILE 123 -1.193 17.358 -0.163 961 HD12 ILE 123 HD12 ILE 123 -1.795 18.618 0.950 962 HD13 ILE 123 HD13 ILE 123 -1.169 17.089 1.584 963 H ASP 124 H ASP 124 -2.940 19.986 -1.558 964 HA ASP 124 HA ASP 124 -0.354 19.175 -2.634 965 HB2 ASP 124 HB2 ASP 124 -1.563 19.845 -4.684 966 HB3 ASP 124 HB3 ASP 124 -2.027 21.376 -3.921 Start of MODEL 12 1 H1 ALA 1 H ALA 1 25.812 11.121 -1.337 2 HA ALA 1 HA ALA 1 23.026 10.279 -1.867 3 HB1 ALA 1 HB1 ALA 1 25.421 8.812 -0.724 4 HB2 ALA 1 HB2 ALA 1 23.761 8.208 -0.579 5 HB3 ALA 1 HB3 ALA 1 24.486 8.424 -2.184 6 H THR 2 H THR 2 21.506 10.808 -0.340 7 HA THR 2 HA THR 2 22.348 11.199 2.468 8 HB THR 2 HB THR 2 20.605 13.147 0.904 9 HG1 THR 2 HG1 THR 2 23.210 13.609 1.889 10 HG21 THR 2 HG21 THR 2 21.792 13.303 3.714 11 HG22 THR 2 HG22 THR 2 20.074 13.165 3.295 12 HG23 THR 2 HG23 THR 2 20.964 14.629 2.865 13 H GLN 3 H GLN 3 21.449 8.893 2.167 14 HA GLN 3 HA GLN 3 18.694 8.486 1.516 15 HB2 GLN 3 HB2 GLN 3 20.455 6.869 3.432 16 HB3 GLN 3 HB3 GLN 3 18.889 6.397 2.822 17 HG2 GLN 3 HG2 GLN 3 20.226 5.222 1.410 18 HG3 GLN 3 HG3 GLN 3 19.943 6.668 0.436 19 HE21 GLN 3 HE21 GLN 3 21.908 5.320 -0.426 20 HE22 GLN 3 HE22 GLN 3 23.506 5.813 0.100 21 H SER 4 H SER 4 16.846 8.775 2.723 22 HA SER 4 HA SER 4 16.999 10.365 5.092 23 HB2 SER 4 HB2 SER 4 14.579 8.732 4.289 24 HB3 SER 4 HB3 SER 4 14.647 10.369 4.971 25 HG SER 4 HG SER 4 15.700 10.959 2.928 26 HA PRO 5 HA PRO 5 17.581 6.826 7.844 27 HB2 PRO 5 HB2 PRO 5 16.959 7.909 10.286 28 HB3 PRO 5 HB3 PRO 5 18.422 8.327 9.364 29 HG2 PRO 5 HG2 PRO 5 15.789 9.816 9.468 30 HG3 PRO 5 HG3 PRO 5 17.440 10.487 9.667 31 HD2 PRO 5 HD2 PRO 5 16.112 10.581 7.277 32 HD3 PRO 5 HD3 PRO 5 17.879 10.330 7.353 33 H GLY 6 H GLY 6 15.899 5.731 6.698 34 HA2 GLY 6 HA2 GLY 6 13.149 5.809 7.701 35 HA3 GLY 6 HA3 GLY 6 13.761 4.909 6.323 36 H ASP 7 H ASP 7 15.813 4.054 8.912 37 HA ASP 7 HA ASP 7 14.791 1.412 8.957 38 HB2 ASP 7 HB2 ASP 7 16.982 2.789 10.222 39 HB3 ASP 7 HB3 ASP 7 16.144 1.834 11.436 40 H SER 8 H SER 8 14.273 4.032 11.364 41 HA SER 8 HA SER 8 12.621 2.546 13.108 42 HB2 SER 8 HB2 SER 8 13.792 4.838 13.410 43 HB3 SER 8 HB3 SER 8 12.380 5.533 12.620 44 HG SER 8 HG SER 8 12.745 4.472 15.138 45 H ARG 9 H ARG 9 11.808 4.035 10.037 46 HA ARG 9 HA ARG 9 8.981 4.322 10.479 47 HB2 ARG 9 HB2 ARG 9 10.382 4.031 7.790 48 HB3 ARG 9 HB3 ARG 9 8.768 4.663 8.117 49 HG2 ARG 9 HG2 ARG 9 9.879 6.386 9.692 50 HG3 ARG 9 HG3 ARG 9 11.407 5.911 8.965 51 HD2 ARG 9 HD2 ARG 9 9.007 7.046 7.484 52 HD3 ARG 9 HD3 ARG 9 10.428 7.961 8.014 53 HE ARG 9 HE ARG 9 10.528 5.685 6.070 54 HH11 ARG 9 HH11 ARG 9 11.339 9.085 6.679 55 HH12 ARG 9 HH12 ARG 9 12.458 9.186 5.392 56 HH21 ARG 9 HH21 ARG 9 11.892 5.768 4.456 57 HH22 ARG 9 HH22 ARG 9 12.829 7.146 3.986 58 H ARG 10 H ARG 10 10.998 1.620 9.557 59 HA ARG 10 HA ARG 10 9.233 -0.000 8.225 60 HB2 ARG 10 HB2 ARG 10 10.733 -1.755 8.675 61 HB3 ARG 10 HB3 ARG 10 11.727 -0.323 8.800 62 HG2 ARG 10 HG2 ARG 10 11.413 -0.487 11.351 63 HG3 ARG 10 HG3 ARG 10 10.557 -2.000 11.051 64 HD2 ARG 10 HD2 ARG 10 12.520 -2.935 9.906 65 HD3 ARG 10 HD3 ARG 10 13.435 -1.448 10.266 66 HE ARG 10 HE ARG 10 12.278 -2.560 12.653 67 HH11 ARG 10 HH11 ARG 10 14.684 -3.565 10.249 68 HH12 ARG 10 HH12 ARG 10 15.489 -4.619 11.399 69 HH21 ARG 10 HH21 ARG 10 13.593 -3.671 14.195 70 HH22 ARG 10 HH22 ARG 10 15.067 -4.388 13.674 71 H LEU 11 H LEU 11 9.368 0.291 11.823 72 HA LEU 11 HA LEU 11 7.547 -1.735 12.368 73 HB2 LEU 11 HB2 LEU 11 7.262 -0.788 14.506 74 HB3 LEU 11 HB3 LEU 11 8.899 -0.447 14.007 75 HG LEU 11 HG LEU 11 7.731 1.895 13.225 76 HD11 LEU 11 HD11 LEU 11 6.113 2.650 14.891 77 HD12 LEU 11 HD12 LEU 11 6.214 1.099 15.748 78 HD13 LEU 11 HD13 LEU 11 5.456 1.175 14.168 79 HD21 LEU 11 HD21 LEU 11 8.526 2.918 15.240 80 HD22 LEU 11 HD22 LEU 11 9.679 1.716 14.670 81 HD23 LEU 11 HD23 LEU 11 8.631 1.321 16.047 82 H SER 12 H SER 12 6.789 1.647 11.684 83 HA SER 12 HA SER 12 3.970 1.418 11.919 84 HB2 SER 12 HB2 SER 12 5.293 3.474 12.258 85 HB3 SER 12 HB3 SER 12 5.780 3.473 10.557 86 HG SER 12 HG SER 12 3.055 3.486 11.330 87 H ILE 13 H ILE 13 6.170 1.466 9.086 88 HA ILE 13 HA ILE 13 4.113 1.363 7.126 89 HB ILE 13 HB ILE 13 7.037 0.537 7.070 90 HG12 ILE 13 HG12 ILE 13 5.808 2.970 5.725 91 HG13 ILE 13 HG13 ILE 13 6.267 3.061 7.425 92 HG21 ILE 13 HG21 ILE 13 5.879 -0.641 5.294 93 HG22 ILE 13 HG22 ILE 13 5.033 0.858 4.865 94 HG23 ILE 13 HG23 ILE 13 6.777 0.688 4.576 95 HD11 ILE 13 HD11 ILE 13 8.060 3.892 5.956 96 HD12 ILE 13 HD12 ILE 13 8.573 2.483 6.914 97 HD13 ILE 13 HD13 ILE 13 8.207 2.292 5.209 98 H GLN 14 H GLN 14 6.178 -1.385 8.432 99 HA GLN 14 HA GLN 14 4.937 -3.416 7.080 100 HB2 GLN 14 HB2 GLN 14 7.029 -3.253 8.689 101 HB3 GLN 14 HB3 GLN 14 5.878 -3.718 9.941 102 HG2 GLN 14 HG2 GLN 14 5.324 -5.720 8.455 103 HG3 GLN 14 HG3 GLN 14 6.609 -5.147 7.375 104 HE21 GLN 14 HE21 GLN 14 7.323 -7.513 7.958 105 HE22 GLN 14 HE22 GLN 14 8.430 -7.619 9.321 106 H ARG 15 H ARG 15 3.915 -1.846 10.142 107 HA ARG 15 HA ARG 15 1.930 -3.660 10.910 108 HB2 ARG 15 HB2 ARG 15 2.859 -1.633 12.184 109 HB3 ARG 15 HB3 ARG 15 1.750 -0.631 11.232 110 HG2 ARG 15 HG2 ARG 15 -0.110 -2.129 12.103 111 HG3 ARG 15 HG3 ARG 15 1.075 -2.884 13.153 112 HD2 ARG 15 HD2 ARG 15 0.267 0.059 13.098 113 HD3 ARG 15 HD3 ARG 15 -0.261 -1.107 14.296 114 HE ARG 15 HE ARG 15 2.010 0.508 14.426 115 HH11 ARG 15 HH11 ARG 15 1.186 -2.904 15.138 116 HH12 ARG 15 HH12 ARG 15 2.580 -3.138 16.122 117 HH21 ARG 15 HH21 ARG 15 3.575 0.272 16.163 118 HH22 ARG 15 HH22 ARG 15 3.778 -1.276 16.881 119 H ALA 16 H ALA 16 1.689 -0.964 8.530 120 HA ALA 16 HA ALA 16 -1.164 -1.420 8.130 121 HB1 ALA 16 HB1 ALA 16 -0.889 0.150 6.256 122 HB2 ALA 16 HB2 ALA 16 -0.205 0.791 7.754 123 HB3 ALA 16 HB3 ALA 16 0.871 0.142 6.488 124 H ILE 17 H ILE 17 1.881 -2.373 6.504 125 HA ILE 17 HA ILE 17 0.689 -3.544 4.223 126 HB ILE 17 HB ILE 17 3.369 -4.071 5.537 127 HG12 ILE 17 HG12 ILE 17 2.469 -2.405 3.133 128 HG13 ILE 17 HG13 ILE 17 3.010 -1.778 4.691 129 HG21 ILE 17 HG21 ILE 17 2.400 -4.982 2.790 130 HG22 ILE 17 HG22 ILE 17 4.058 -5.126 3.388 131 HG23 ILE 17 HG23 ILE 17 2.800 -6.046 4.162 132 HD11 ILE 17 HD11 ILE 17 5.215 -3.057 4.219 133 HD12 ILE 17 HD12 ILE 17 4.630 -3.072 2.529 134 HD13 ILE 17 HD13 ILE 17 4.916 -1.554 3.342 135 H GLN 18 H GLN 18 1.285 -5.015 7.448 136 HA GLN 18 HA GLN 18 0.902 -7.679 6.645 137 HB2 GLN 18 HB2 GLN 18 0.706 -8.220 8.891 138 HB3 GLN 18 HB3 GLN 18 1.626 -6.704 8.904 139 HG2 GLN 18 HG2 GLN 18 -0.627 -5.540 9.337 140 HG3 GLN 18 HG3 GLN 18 -1.293 -7.144 9.593 141 HE21 GLN 18 HE21 GLN 18 -1.688 -7.136 11.762 142 HE22 GLN 18 HE22 GLN 18 -0.464 -6.968 13.006 143 H SER 19 H SER 19 -1.537 -5.183 7.192 144 HA SER 19 HA SER 19 -3.814 -7.001 6.940 145 HB2 SER 19 HB2 SER 19 -3.572 -3.966 6.843 146 HB3 SER 19 HB3 SER 19 -5.094 -4.867 6.925 147 HG SER 19 HG SER 19 -3.881 -3.936 8.903 148 H LEU 20 H LEU 20 -1.981 -4.735 4.856 149 HA LEU 20 HA LEU 20 -3.678 -4.730 2.597 150 HB2 LEU 20 HB2 LEU 20 -1.834 -3.126 2.971 151 HB3 LEU 20 HB3 LEU 20 -0.658 -4.429 2.790 152 HG LEU 20 HG LEU 20 -1.631 -4.751 0.399 153 HD11 LEU 20 HD11 LEU 20 -3.629 -3.249 0.867 154 HD12 LEU 20 HD12 LEU 20 -2.719 -2.861 -0.593 155 HD13 LEU 20 HD13 LEU 20 -2.512 -1.876 0.874 156 HD21 LEU 20 HD21 LEU 20 0.615 -3.887 0.884 157 HD22 LEU 20 HD22 LEU 20 -0.047 -2.249 1.078 158 HD23 LEU 20 HD23 LEU 20 -0.114 -3.080 -0.499 159 H VAL 21 H VAL 21 -0.729 -6.731 3.233 160 HA VAL 21 HA VAL 21 -0.729 -8.200 0.833 161 HB VAL 21 HB VAL 21 0.170 -9.008 3.635 162 HG11 VAL 21 HG11 VAL 21 1.633 -10.672 2.332 163 HG12 VAL 21 HG12 VAL 21 -0.086 -11.067 2.391 164 HG13 VAL 21 HG13 VAL 21 0.600 -10.342 0.933 165 HG21 VAL 21 HG21 VAL 21 1.329 -7.019 2.558 166 HG22 VAL 21 HG22 VAL 21 2.381 -8.391 2.956 167 HG23 VAL 21 HG23 VAL 21 1.878 -8.116 1.281 168 H HIS 22 H HIS 22 -2.134 -9.109 3.985 169 HA HIS 22 HA HIS 22 -3.339 -11.465 3.221 170 HB2 HIS 22 HB2 HIS 22 -3.186 -10.756 5.543 171 HB3 HIS 22 HB3 HIS 22 -4.289 -9.412 5.250 172 HD1 HIS 22 HD1 HIS 22 -4.315 -13.279 5.278 173 HD2 HIS 22 HD2 HIS 22 -6.889 -9.955 5.022 174 HE1 HIS 22 HE1 HIS 22 -6.718 -14.179 5.255 175 H ALA 23 H ALA 23 -4.841 -8.150 3.073 176 HA ALA 23 HA ALA 23 -7.300 -9.105 1.998 177 HB1 ALA 23 HB1 ALA 23 -7.691 -6.757 1.412 178 HB2 ALA 23 HB2 ALA 23 -7.002 -6.908 3.043 179 HB3 ALA 23 HB3 ALA 23 -5.972 -6.387 1.685 180 H ALA 24 H ALA 24 -4.206 -8.532 0.399 181 HA ALA 24 HA ALA 24 -5.355 -8.241 -2.278 182 HB1 ALA 24 HB1 ALA 24 -3.110 -7.298 -1.728 183 HB2 ALA 24 HB2 ALA 24 -2.496 -8.941 -1.451 184 HB3 ALA 24 HB3 ALA 24 -3.044 -8.466 -3.058 185 H GLN 25 H GLN 25 -3.689 -10.838 -0.464 186 HA GLN 25 HA GLN 25 -4.175 -12.828 -2.523 187 HB2 GLN 25 HB2 GLN 25 -3.125 -14.390 -1.016 188 HB3 GLN 25 HB3 GLN 25 -2.194 -12.894 -1.046 189 HG2 GLN 25 HG2 GLN 25 -3.221 -12.206 1.094 190 HG3 GLN 25 HG3 GLN 25 -4.173 -13.675 1.152 191 HE21 GLN 25 HE21 GLN 25 -2.719 -15.774 0.870 192 HE22 GLN 25 HE22 GLN 25 -1.386 -15.785 2.021 193 H CYS 26 H CYS 26 -6.120 -11.657 0.077 194 HA CYS 26 HA CYS 26 -7.560 -13.932 0.862 195 HB2 CYS 26 HB2 CYS 26 -7.574 -11.897 2.125 196 HB3 CYS 26 HB3 CYS 26 -8.363 -11.035 0.796 197 H ARG 27 H ARG 27 -7.945 -15.134 -0.979 198 HA ARG 27 HA ARG 27 -10.489 -14.514 -2.374 199 HB2 ARG 27 HB2 ARG 27 -7.793 -15.123 -3.719 200 HB3 ARG 27 HB3 ARG 27 -9.343 -15.388 -4.511 201 HG2 ARG 27 HG2 ARG 27 -9.927 -12.978 -4.041 202 HG3 ARG 27 HG3 ARG 27 -8.253 -12.732 -3.527 203 HD2 ARG 27 HD2 ARG 27 -8.563 -11.985 -5.837 204 HD3 ARG 27 HD3 ARG 27 -7.432 -13.332 -5.737 205 HE ARG 27 HE ARG 27 -8.768 -14.580 -7.037 206 HH11 ARG 27 HH11 ARG 27 -10.849 -11.947 -5.806 207 HH12 ARG 27 HH12 ARG 27 -12.195 -12.391 -6.801 208 HH21 ARG 27 HH21 ARG 27 -10.531 -15.166 -8.264 209 HH22 ARG 27 HH22 ARG 27 -12.030 -14.277 -8.247 210 H ASN 28 H ASN 28 -11.183 -16.006 -0.704 211 HA ASN 28 HA ASN 28 -11.208 -18.796 -1.446 212 HB2 ASN 28 HB2 ASN 28 -8.981 -18.710 -0.335 213 HB3 ASN 28 HB3 ASN 28 -9.679 -17.825 1.025 214 HD21 ASN 28 HD21 ASN 28 -8.678 -19.564 2.348 215 HD22 ASN 28 HD22 ASN 28 -9.420 -21.162 2.344 216 H ALA 29 H ALA 29 -12.946 -19.798 -0.218 217 HA ALA 29 HA ALA 29 -14.929 -18.019 0.858 218 HB1 ALA 29 HB1 ALA 29 -15.438 -20.169 -0.296 219 HB2 ALA 29 HB2 ALA 29 -14.684 -21.064 1.038 220 HB3 ALA 29 HB3 ALA 29 -16.155 -20.108 1.325 221 H ASN 30 H ASN 30 -12.556 -20.230 2.373 222 HA ASN 30 HA ASN 30 -13.642 -19.963 5.042 223 HB2 ASN 30 HB2 ASN 30 -12.432 -21.935 4.522 224 HB3 ASN 30 HB3 ASN 30 -11.049 -21.042 3.901 225 HD21 ASN 30 HD21 ASN 30 -9.332 -20.625 5.320 226 HD22 ASN 30 HD22 ASN 30 -9.468 -20.873 7.052 227 H CYS 31 H CYS 31 -11.382 -17.953 3.256 228 HA CYS 31 HA CYS 31 -9.978 -16.853 5.436 229 HB2 CYS 31 HB2 CYS 31 -9.361 -16.655 3.027 230 HB3 CYS 31 HB3 CYS 31 -10.699 -15.482 2.810 231 H SER 32 H SER 32 -10.740 -15.829 7.131 232 HA SER 32 HA SER 32 -12.816 -13.730 6.850 233 HB2 SER 32 HB2 SER 32 -13.717 -16.038 7.472 234 HB3 SER 32 HB3 SER 32 -12.877 -15.872 9.012 235 HG SER 32 HG SER 32 -14.324 -14.452 9.644 236 H LEU 33 H LEU 33 -11.266 -12.053 7.186 237 HA LEU 33 HA LEU 33 -10.065 -11.982 9.931 238 HB2 LEU 33 HB2 LEU 33 -8.732 -11.583 7.338 239 HB3 LEU 33 HB3 LEU 33 -8.616 -10.160 8.358 240 HG LEU 33 HG LEU 33 -7.812 -11.655 10.251 241 HD11 LEU 33 HD11 LEU 33 -6.748 -13.774 9.587 242 HD12 LEU 33 HD12 LEU 33 -7.439 -13.621 7.953 243 HD13 LEU 33 HD13 LEU 33 -8.498 -13.834 9.363 244 HD21 LEU 33 HD21 LEU 33 -5.520 -11.630 9.511 245 HD22 LEU 33 HD22 LEU 33 -6.327 -10.164 8.921 246 HD23 LEU 33 HD23 LEU 33 -6.020 -11.521 7.816 247 HA PRO 34 HA PRO 34 -12.535 -8.335 10.366 248 HB2 PRO 34 HB2 PRO 34 -11.237 -6.950 12.359 249 HB3 PRO 34 HB3 PRO 34 -12.186 -8.445 12.640 250 HG2 PRO 34 HG2 PRO 34 -9.192 -8.177 12.229 251 HG3 PRO 34 HG3 PRO 34 -10.037 -9.065 13.524 252 HD2 PRO 34 HD2 PRO 34 -9.132 -10.352 11.340 253 HD3 PRO 34 HD3 PRO 34 -10.737 -10.777 12.005 254 H SER 35 H SER 35 -8.997 -7.857 9.915 255 HA SER 35 HA SER 35 -9.319 -5.069 9.120 256 HB2 SER 35 HB2 SER 35 -7.175 -6.491 9.959 257 HB3 SER 35 HB3 SER 35 -6.942 -6.683 8.236 258 HG SER 35 HG SER 35 -5.891 -4.857 8.953 259 H CYS 36 H CYS 36 -9.137 -8.244 7.569 260 HA CYS 36 HA CYS 36 -8.898 -7.558 4.919 261 HB2 CYS 36 HB2 CYS 36 -8.833 -9.844 6.109 262 HB3 CYS 36 HB3 CYS 36 -10.573 -9.903 5.797 263 H GLN 37 H GLN 37 -11.993 -8.100 6.690 264 HA GLN 37 HA GLN 37 -13.657 -7.586 4.511 265 HB2 GLN 37 HB2 GLN 37 -15.439 -6.944 6.135 266 HB3 GLN 37 HB3 GLN 37 -14.653 -8.486 6.453 267 HG2 GLN 37 HG2 GLN 37 -13.362 -7.534 8.262 268 HG3 GLN 37 HG3 GLN 37 -14.025 -5.918 7.960 269 HE21 GLN 37 HE21 GLN 37 -15.684 -5.389 9.388 270 HE22 GLN 37 HE22 GLN 37 -16.748 -6.555 10.144 271 H LYS 38 H LYS 38 -12.307 -5.076 6.700 272 HA LYS 38 HA LYS 38 -13.615 -2.989 5.134 273 HB2 LYS 38 HB2 LYS 38 -12.072 -1.471 6.526 274 HB3 LYS 38 HB3 LYS 38 -13.469 -2.257 7.228 275 HG2 LYS 38 HG2 LYS 38 -12.039 -3.991 8.244 276 HG3 LYS 38 HG3 LYS 38 -10.593 -3.175 7.616 277 HD2 LYS 38 HD2 LYS 38 -11.029 -1.234 9.001 278 HD3 LYS 38 HD3 LYS 38 -12.639 -1.847 9.457 279 HE2 LYS 38 HE2 LYS 38 -11.611 -3.754 10.620 280 HE3 LYS 38 HE3 LYS 38 -9.994 -3.197 10.164 281 HZ1 LYS 38 HZ1 LYS 38 -10.709 -2.550 12.448 282 HZ2 LYS 38 HZ2 LYS 38 -11.842 -1.552 11.794 283 HZ3 LYS 38 HZ3 LYS 38 -10.279 -1.266 11.514 284 H MET 39 H MET 39 -10.305 -4.330 5.195 285 HA MET 39 HA MET 39 -9.221 -2.536 3.310 286 HB2 MET 39 HB2 MET 39 -8.567 -5.426 3.981 287 HB3 MET 39 HB3 MET 39 -7.697 -4.530 2.735 288 HG2 MET 39 HG2 MET 39 -7.797 -3.730 5.655 289 HG3 MET 39 HG3 MET 39 -6.484 -4.552 4.830 290 HE1 MET 39 HE1 MET 39 -4.460 -2.950 5.079 291 HE2 MET 39 HE2 MET 39 -4.680 -1.199 5.232 292 HE3 MET 39 HE3 MET 39 -5.511 -2.287 6.363 293 H LYS 40 H LYS 40 -11.306 -5.370 2.777 294 HA LYS 40 HA LYS 40 -10.868 -5.805 0.039 295 HB2 LYS 40 HB2 LYS 40 -12.943 -6.475 2.008 296 HB3 LYS 40 HB3 LYS 40 -13.691 -6.030 0.483 297 HG2 LYS 40 HG2 LYS 40 -13.366 -8.342 0.280 298 HG3 LYS 40 HG3 LYS 40 -12.042 -7.634 -0.659 299 HD2 LYS 40 HD2 LYS 40 -10.718 -7.816 1.640 300 HD3 LYS 40 HD3 LYS 40 -11.974 -8.963 2.076 301 HE2 LYS 40 HE2 LYS 40 -10.136 -9.126 -0.367 302 HE3 LYS 40 HE3 LYS 40 -9.937 -9.991 1.165 303 HZ1 LYS 40 HZ1 LYS 40 -10.896 -11.442 -0.358 304 HZ2 LYS 40 HZ2 LYS 40 -12.135 -10.462 -0.776 305 HZ3 LYS 40 HZ3 LYS 40 -12.040 -11.112 0.742 306 H ARG 41 H ARG 41 -12.750 -3.223 1.569 307 HA ARG 41 HA ARG 41 -14.004 -2.239 -0.811 308 HB2 ARG 41 HB2 ARG 41 -14.631 -1.629 1.533 309 HB3 ARG 41 HB3 ARG 41 -13.091 -0.776 1.714 310 HG2 ARG 41 HG2 ARG 41 -13.754 0.725 -0.191 311 HG3 ARG 41 HG3 ARG 41 -15.341 -0.051 -0.204 312 HD2 ARG 41 HD2 ARG 41 -14.025 1.425 2.134 313 HD3 ARG 41 HD3 ARG 41 -15.284 2.099 1.118 314 HE ARG 41 HE ARG 41 -15.582 0.536 3.405 315 HH11 ARG 41 HH11 ARG 41 -17.162 0.676 0.150 316 HH12 ARG 41 HH12 ARG 41 -18.711 0.327 0.836 317 HH21 ARG 41 HH21 ARG 41 -17.775 0.245 4.185 318 HH22 ARG 41 HH22 ARG 41 -19.054 0.053 2.998 319 H VAL 42 H VAL 42 -10.889 -1.408 0.826 320 HA VAL 42 HA VAL 42 -10.064 0.521 -1.023 321 HB VAL 42 HB VAL 42 -8.260 -1.186 0.727 322 HG11 VAL 42 HG11 VAL 42 -7.056 0.227 -0.785 323 HG12 VAL 42 HG12 VAL 42 -8.098 1.623 -0.446 324 HG13 VAL 42 HG13 VAL 42 -6.989 1.010 0.791 325 HG21 VAL 42 HG21 VAL 42 -10.041 -0.368 2.209 326 HG22 VAL 42 HG22 VAL 42 -8.572 0.554 2.479 327 HG23 VAL 42 HG23 VAL 42 -9.892 1.268 1.527 328 H VAL 43 H VAL 43 -9.698 -3.020 -1.021 329 HA VAL 43 HA VAL 43 -7.821 -3.113 -3.111 330 HB VAL 43 HB VAL 43 -9.955 -5.139 -2.317 331 HG11 VAL 43 HG11 VAL 43 -8.571 -6.829 -3.462 332 HG12 VAL 43 HG12 VAL 43 -9.255 -5.671 -4.608 333 HG13 VAL 43 HG13 VAL 43 -7.550 -5.539 -4.134 334 HG21 VAL 43 HG21 VAL 43 -8.129 -6.307 -1.196 335 HG22 VAL 43 HG22 VAL 43 -6.980 -5.064 -1.743 336 HG23 VAL 43 HG23 VAL 43 -8.239 -4.662 -0.570 337 H GLN 44 H GLN 44 -11.356 -2.704 -3.190 338 HA GLN 44 HA GLN 44 -11.704 -3.006 -6.019 339 HB2 GLN 44 HB2 GLN 44 -13.286 -1.154 -4.178 340 HB3 GLN 44 HB3 GLN 44 -13.802 -1.763 -5.727 341 HG2 GLN 44 HG2 GLN 44 -14.061 -3.991 -4.899 342 HG3 GLN 44 HG3 GLN 44 -13.340 -3.571 -3.346 343 HE21 GLN 44 HE21 GLN 44 -16.229 -4.549 -4.202 344 HE22 GLN 44 HE22 GLN 44 -17.214 -3.396 -3.350 345 H HIS 45 H HIS 45 -10.847 -0.090 -4.016 346 HA HIS 45 HA HIS 45 -11.222 1.811 -6.038 347 HB2 HIS 45 HB2 HIS 45 -10.863 2.645 -3.884 348 HB3 HIS 45 HB3 HIS 45 -9.379 1.718 -3.651 349 HD1 HIS 45 HD1 HIS 45 -10.595 4.814 -5.624 350 HD2 HIS 45 HD2 HIS 45 -7.092 2.688 -4.615 351 HE1 HIS 45 HE1 HIS 45 -8.618 6.193 -6.442 352 H THR 46 H THR 46 -8.085 0.093 -5.293 353 HA THR 46 HA THR 46 -6.769 1.386 -7.466 354 HB THR 46 HB THR 46 -5.589 0.455 -5.602 355 HG1 THR 46 HG1 THR 46 -4.915 -0.649 -8.112 356 HG21 THR 46 HG21 THR 46 -5.095 -1.979 -5.456 357 HG22 THR 46 HG22 THR 46 -6.379 -2.284 -6.651 358 HG23 THR 46 HG23 THR 46 -6.775 -1.582 -5.071 359 H LYS 47 H LYS 47 -8.977 -1.280 -7.446 360 HA LYS 47 HA LYS 47 -8.109 -2.650 -9.778 361 HB2 LYS 47 HB2 LYS 47 -9.903 -3.347 -8.103 362 HB3 LYS 47 HB3 LYS 47 -11.019 -2.299 -8.978 363 HG2 LYS 47 HG2 LYS 47 -10.933 -3.551 -10.938 364 HG3 LYS 47 HG3 LYS 47 -9.450 -4.381 -10.483 365 HD2 LYS 47 HD2 LYS 47 -12.146 -4.772 -9.141 366 HD3 LYS 47 HD3 LYS 47 -11.474 -5.821 -10.386 367 HE2 LYS 47 HE2 LYS 47 -10.211 -5.316 -7.657 368 HE3 LYS 47 HE3 LYS 47 -11.209 -6.709 -8.054 369 HZ1 LYS 47 HZ1 LYS 47 -8.775 -6.182 -9.618 370 HZ2 LYS 47 HZ2 LYS 47 -9.538 -7.629 -9.305 371 HZ3 LYS 47 HZ3 LYS 47 -8.668 -6.845 -8.152 372 H GLY 48 H GLY 48 -9.990 0.354 -9.384 373 HA2 GLY 48 HA2 GLY 48 -9.917 0.734 -12.352 374 HA3 GLY 48 HA3 GLY 48 -11.222 1.277 -11.318 375 H CYS 49 H CYS 49 -8.014 1.785 -9.979 376 HA CYS 49 HA CYS 49 -8.548 4.623 -10.230 377 HB2 CYS 49 HB2 CYS 49 -7.534 3.611 -8.189 378 HB3 CYS 49 HB3 CYS 49 -5.989 3.527 -9.085 379 H LYS 50 H LYS 50 -8.614 5.032 -12.311 380 HA LYS 50 HA LYS 50 -6.162 4.867 -13.981 381 HB2 LYS 50 HB2 LYS 50 -8.409 3.939 -14.770 382 HB3 LYS 50 HB3 LYS 50 -8.989 5.596 -14.828 383 HG2 LYS 50 HG2 LYS 50 -8.363 4.798 -17.021 384 HG3 LYS 50 HG3 LYS 50 -7.295 6.129 -16.555 385 HD2 LYS 50 HD2 LYS 50 -5.480 4.574 -16.098 386 HD3 LYS 50 HD3 LYS 50 -6.529 3.175 -16.366 387 HE2 LYS 50 HE2 LYS 50 -5.979 5.285 -18.510 388 HE3 LYS 50 HE3 LYS 50 -4.931 3.885 -18.255 389 HZ1 LYS 50 HZ1 LYS 50 -7.771 3.741 -19.068 390 HZ2 LYS 50 HZ2 LYS 50 -6.790 2.440 -18.702 391 HZ3 LYS 50 HZ3 LYS 50 -6.459 3.382 -19.969 392 H ARG 51 H ARG 51 -7.915 6.923 -11.918 393 HA ARG 51 HA ARG 51 -7.523 9.514 -12.955 394 HB2 ARG 51 HB2 ARG 51 -8.922 8.734 -10.942 395 HB3 ARG 51 HB3 ARG 51 -7.418 8.756 -10.012 396 HG2 ARG 51 HG2 ARG 51 -7.182 11.202 -10.625 397 HG3 ARG 51 HG3 ARG 51 -8.753 11.129 -11.422 398 HD2 ARG 51 HD2 ARG 51 -8.303 10.448 -8.478 399 HD3 ARG 51 HD3 ARG 51 -8.656 12.079 -9.052 400 HE ARG 51 HE ARG 51 -10.755 10.707 -10.096 401 HH11 ARG 51 HH11 ARG 51 -9.493 11.073 -6.751 402 HH12 ARG 51 HH12 ARG 51 -11.076 10.874 -6.067 403 HH21 ARG 51 HH21 ARG 51 -12.788 10.473 -9.050 404 HH22 ARG 51 HH22 ARG 51 -12.925 10.721 -7.343 405 H LYS 52 H LYS 52 -5.163 7.290 -11.735 406 HA LYS 52 HA LYS 52 -3.112 8.979 -10.855 407 HB2 LYS 52 HB2 LYS 52 -2.743 6.438 -12.510 408 HB3 LYS 52 HB3 LYS 52 -1.574 7.182 -11.409 409 HG2 LYS 52 HG2 LYS 52 -3.144 6.778 -9.521 410 HG3 LYS 52 HG3 LYS 52 -4.286 6.022 -10.630 411 HD2 LYS 52 HD2 LYS 52 -3.180 4.259 -9.641 412 HD3 LYS 52 HD3 LYS 52 -2.564 4.335 -11.271 413 HE2 LYS 52 HE2 LYS 52 -0.779 3.844 -9.636 414 HE3 LYS 52 HE3 LYS 52 -0.466 5.333 -10.526 415 HZ1 LYS 52 HZ1 LYS 52 -1.119 6.605 -8.645 416 HZ2 LYS 52 HZ2 LYS 52 -0.034 5.501 -8.145 417 HZ3 LYS 52 HZ3 LYS 52 -1.676 5.317 -7.829 418 H THR 53 H THR 53 -3.402 7.567 -14.116 419 HA THR 53 HA THR 53 -1.482 9.090 -15.379 420 HB THR 53 HB THR 53 -3.961 8.178 -16.844 421 HG1 THR 53 HG1 THR 53 -2.980 6.055 -16.796 422 HG21 THR 53 HG21 THR 53 -0.961 7.936 -17.403 423 HG22 THR 53 HG22 THR 53 -2.075 9.078 -18.161 424 HG23 THR 53 HG23 THR 53 -2.259 7.356 -18.467 425 H ASN 54 H ASN 54 -4.637 10.184 -14.420 426 HA ASN 54 HA ASN 54 -4.608 12.547 -16.225 427 HB2 ASN 54 HB2 ASN 54 -6.623 11.245 -16.209 428 HB3 ASN 54 HB3 ASN 54 -6.639 11.185 -14.446 429 HD21 ASN 54 HD21 ASN 54 -6.637 13.859 -17.013 430 HD22 ASN 54 HD22 ASN 54 -7.935 14.691 -16.166 431 H GLY 55 H GLY 55 -3.543 11.731 -13.066 432 HA2 GLY 55 HA2 GLY 55 -2.871 14.378 -12.373 433 HA3 GLY 55 HA3 GLY 55 -4.357 13.932 -11.518 434 H GLY 56 H GLY 56 -4.316 12.045 -10.069 435 HA2 GLY 56 HA2 GLY 56 -2.314 10.282 -9.483 436 HA3 GLY 56 HA3 GLY 56 -1.665 11.774 -8.831 437 H CYS 57 H CYS 57 -4.057 9.303 -8.405 438 HA CYS 57 HA CYS 57 -5.566 10.535 -6.254 439 HB2 CYS 57 HB2 CYS 57 -6.655 8.774 -7.424 440 HB3 CYS 57 HB3 CYS 57 -5.185 7.809 -7.486 441 HA PRO 58 HA PRO 58 -2.389 9.905 -3.140 442 HB2 PRO 58 HB2 PRO 58 -3.835 9.947 -0.814 443 HB3 PRO 58 HB3 PRO 58 -3.566 11.382 -1.834 444 HG2 PRO 58 HG2 PRO 58 -5.983 9.553 -1.812 445 HG3 PRO 58 HG3 PRO 58 -5.950 11.345 -1.730 446 HD2 PRO 58 HD2 PRO 58 -6.357 10.042 -4.073 447 HD3 PRO 58 HD3 PRO 58 -5.363 11.524 -4.018 448 H ILE 59 H ILE 59 -5.230 7.657 -2.847 449 HA ILE 59 HA ILE 59 -4.053 5.849 -1.048 450 HB ILE 59 HB ILE 59 -6.064 5.285 -3.252 451 HG12 ILE 59 HG12 ILE 59 -6.625 5.807 -0.309 452 HG13 ILE 59 HG13 ILE 59 -6.657 7.099 -1.500 453 HG21 ILE 59 HG21 ILE 59 -5.063 3.180 -2.400 454 HG22 ILE 59 HG22 ILE 59 -5.395 3.685 -0.727 455 HG23 ILE 59 HG23 ILE 59 -6.716 3.308 -1.848 456 HD11 ILE 59 HD11 ILE 59 -8.411 6.036 -2.771 457 HD12 ILE 59 HD12 ILE 59 -8.407 4.621 -1.698 458 HD13 ILE 59 HD13 ILE 59 -8.892 6.192 -1.063 459 H CYS 60 H CYS 60 -4.265 5.434 -4.612 460 HA CYS 60 HA CYS 60 -2.532 3.186 -4.672 461 HB2 CYS 60 HB2 CYS 60 -2.411 3.642 -7.118 462 HB3 CYS 60 HB3 CYS 60 -3.990 3.439 -6.413 463 H LYS 61 H LYS 61 -1.922 6.565 -4.648 464 HA LYS 61 HA LYS 61 0.812 6.692 -5.551 465 HB2 LYS 61 HB2 LYS 61 -1.031 8.485 -4.270 466 HB3 LYS 61 HB3 LYS 61 0.381 8.504 -3.293 467 HG2 LYS 61 HG2 LYS 61 1.736 9.415 -4.954 468 HG3 LYS 61 HG3 LYS 61 0.654 8.943 -6.272 469 HD2 LYS 61 HD2 LYS 61 -0.826 10.680 -5.925 470 HD3 LYS 61 HD3 LYS 61 -0.492 10.810 -4.206 471 HE2 LYS 61 HE2 LYS 61 1.580 11.582 -6.275 472 HE3 LYS 61 HE3 LYS 61 0.326 12.707 -5.767 473 HZ1 LYS 61 HZ1 LYS 61 2.203 11.428 -3.881 474 HZ2 LYS 61 HZ2 LYS 61 1.116 12.584 -3.539 475 HZ3 LYS 61 HZ3 LYS 61 2.386 12.944 -4.500 476 H GLN 62 H GLN 62 -0.482 6.546 -2.210 477 HA GLN 62 HA GLN 62 2.028 5.810 -1.044 478 HB2 GLN 62 HB2 GLN 62 -0.848 5.543 -0.040 479 HB3 GLN 62 HB3 GLN 62 0.569 5.225 0.951 480 HG2 GLN 62 HG2 GLN 62 -0.195 7.879 -0.341 481 HG3 GLN 62 HG3 GLN 62 -0.285 7.486 1.363 482 HE21 GLN 62 HE21 GLN 62 2.318 6.221 1.756 483 HE22 GLN 62 HE22 GLN 62 3.547 7.418 1.458 484 H LEU 63 H LEU 63 -0.416 3.890 -2.664 485 HA LEU 63 HA LEU 63 0.202 1.399 -1.410 486 HB2 LEU 63 HB2 LEU 63 -1.839 1.931 -2.787 487 HB3 LEU 63 HB3 LEU 63 -0.830 1.833 -4.234 488 HG LEU 63 HG LEU 63 -0.484 -0.490 -4.000 489 HD11 LEU 63 HD11 LEU 63 -1.760 -0.319 -1.233 490 HD12 LEU 63 HD12 LEU 63 -0.080 -0.777 -1.615 491 HD13 LEU 63 HD13 LEU 63 -1.397 -1.824 -2.117 492 HD21 LEU 63 HD21 LEU 63 -2.724 0.289 -4.821 493 HD22 LEU 63 HD22 LEU 63 -3.358 0.164 -3.182 494 HD23 LEU 63 HD23 LEU 63 -2.830 -1.294 -4.041 495 H ILE 64 H ILE 64 1.520 3.114 -4.266 496 HA ILE 64 HA ILE 64 3.353 1.107 -5.080 497 HB ILE 64 HB ILE 64 3.390 4.144 -5.376 498 HG12 ILE 64 HG12 ILE 64 2.801 1.993 -7.441 499 HG13 ILE 64 HG13 ILE 64 1.546 2.696 -6.440 500 HG21 ILE 64 HG21 ILE 64 5.070 3.824 -7.188 501 HG22 ILE 64 HG22 ILE 64 5.712 3.356 -5.623 502 HG23 ILE 64 HG23 ILE 64 5.184 2.103 -6.763 503 HD11 ILE 64 HD11 ILE 64 1.570 3.758 -8.616 504 HD12 ILE 64 HD12 ILE 64 1.952 4.920 -7.334 505 HD13 ILE 64 HD13 ILE 64 3.242 4.288 -8.386 506 H ALA 65 H ALA 65 3.692 3.883 -2.861 507 HA ALA 65 HA ALA 65 6.380 3.660 -2.162 508 HB1 ALA 65 HB1 ALA 65 4.808 5.508 -1.439 509 HB2 ALA 65 HB2 ALA 65 4.123 4.423 -0.215 510 HB3 ALA 65 HB3 ALA 65 5.828 4.875 -0.126 511 H LEU 66 H LEU 66 3.604 2.106 -0.553 512 HA LEU 66 HA LEU 66 5.272 0.586 1.274 513 HB2 LEU 66 HB2 LEU 66 2.348 0.952 0.754 514 HB3 LEU 66 HB3 LEU 66 2.817 -0.633 1.375 515 HG LEU 66 HG LEU 66 4.081 0.332 3.148 516 HD11 LEU 66 HD11 LEU 66 3.110 3.069 2.278 517 HD12 LEU 66 HD12 LEU 66 4.782 2.503 2.264 518 HD13 LEU 66 HD13 LEU 66 3.969 2.698 3.804 519 HD21 LEU 66 HD21 LEU 66 2.302 0.972 4.595 520 HD22 LEU 66 HD22 LEU 66 1.688 -0.220 3.457 521 HD23 LEU 66 HD23 LEU 66 1.304 1.479 3.202 522 H ALA 67 H ALA 67 3.678 -0.260 -1.830 523 HA ALA 67 HA ALA 67 4.191 -3.020 -1.733 524 HB1 ALA 67 HB1 ALA 67 4.195 -1.137 -4.128 525 HB2 ALA 67 HB2 ALA 67 4.093 -2.908 -4.186 526 HB3 ALA 67 HB3 ALA 67 2.785 -1.970 -3.425 527 H ALA 68 H ALA 68 6.243 -0.337 -2.960 528 HA ALA 68 HA ALA 68 8.441 -1.980 -3.717 529 HB1 ALA 68 HB1 ALA 68 8.077 0.341 -4.502 530 HB2 ALA 68 HB2 ALA 68 8.435 0.951 -2.871 531 HB3 ALA 68 HB3 ALA 68 9.692 0.109 -3.817 532 H TYR 69 H TYR 69 7.681 -0.355 -0.601 533 HA TYR 69 HA TYR 69 10.155 -0.974 0.742 534 HB2 TYR 69 HB2 TYR 69 8.820 0.639 1.780 535 HB3 TYR 69 HB3 TYR 69 7.354 -0.301 1.641 536 HD1 TYR 69 HD1 TYR 69 9.965 0.666 3.932 537 HD2 TYR 69 HD2 TYR 69 7.125 -2.427 3.002 538 HE1 TYR 69 HE1 TYR 69 10.129 -0.177 6.238 539 HE2 TYR 69 HE2 TYR 69 7.412 -3.402 5.259 540 HH TYR 69 HH TYR 69 8.811 -3.343 7.173 541 H HIS 70 H HIS 70 7.083 -2.796 0.345 542 HA HIS 70 HA HIS 70 7.876 -5.000 2.013 543 HB2 HIS 70 HB2 HIS 70 5.635 -4.855 1.889 544 HB3 HIS 70 HB3 HIS 70 5.605 -4.235 0.247 545 HD1 HIS 70 HD1 HIS 70 4.845 -7.382 2.102 546 HD2 HIS 70 HD2 HIS 70 5.987 -6.103 -1.735 547 HE1 HIS 70 HE1 HIS 70 4.112 -9.193 0.472 548 H ALA 71 H ALA 71 7.972 -4.366 -1.528 549 HA ALA 71 HA ALA 71 8.812 -6.845 -2.405 550 HB1 ALA 71 HB1 ALA 71 8.134 -5.026 -3.910 551 HB2 ALA 71 HB2 ALA 71 9.558 -4.065 -3.432 552 HB3 ALA 71 HB3 ALA 71 9.773 -5.561 -4.327 553 H LYS 72 H LYS 72 10.769 -4.479 -0.652 554 HA LYS 72 HA LYS 72 13.276 -5.579 -1.586 555 HB2 LYS 72 HB2 LYS 72 14.310 -4.035 -0.282 556 HB3 LYS 72 HB3 LYS 72 12.731 -3.283 -0.393 557 HG2 LYS 72 HG2 LYS 72 12.192 -4.388 1.870 558 HG3 LYS 72 HG3 LYS 72 13.867 -4.944 1.884 559 HD2 LYS 72 HD2 LYS 72 13.709 -3.027 3.266 560 HD3 LYS 72 HD3 LYS 72 14.704 -2.662 1.845 561 HE2 LYS 72 HE2 LYS 72 12.735 -1.569 0.763 562 HE3 LYS 72 HE3 LYS 72 11.759 -1.935 2.204 563 HZ1 LYS 72 HZ1 LYS 72 14.220 -0.322 2.221 564 HZ2 LYS 72 HZ2 LYS 72 13.188 -0.528 3.480 565 HZ3 LYS 72 HZ3 LYS 72 12.719 0.340 2.149 566 H HIS 73 H HIS 73 10.890 -6.792 0.555 567 HA HIS 73 HA HIS 73 12.755 -8.791 1.755 568 HB2 HIS 73 HB2 HIS 73 10.060 -7.793 2.786 569 HB3 HIS 73 HB3 HIS 73 11.037 -9.051 3.520 570 HD1 HIS 73 HD1 HIS 73 10.312 -6.558 5.269 571 HD2 HIS 73 HD2 HIS 73 13.789 -7.038 2.955 572 HE1 HIS 73 HE1 HIS 73 12.008 -4.869 6.150 573 H CYS 74 H CYS 74 9.662 -8.172 0.110 574 HA CYS 74 HA CYS 74 8.919 -11.008 -0.014 575 HB2 CYS 74 HB2 CYS 74 7.312 -8.931 0.365 576 HB3 CYS 74 HB3 CYS 74 7.562 -8.669 -1.357 577 H GLN 75 H GLN 75 10.245 -12.008 -1.446 578 HA GLN 75 HA GLN 75 10.292 -11.157 -4.269 579 HB2 GLN 75 HB2 GLN 75 12.736 -11.898 -2.577 580 HB3 GLN 75 HB3 GLN 75 12.742 -11.838 -4.341 581 HG2 GLN 75 HG2 GLN 75 12.108 -9.416 -2.615 582 HG3 GLN 75 HG3 GLN 75 13.734 -9.871 -3.080 583 HE21 GLN 75 HE21 GLN 75 14.507 -8.801 -4.810 584 HE22 GLN 75 HE22 GLN 75 13.567 -8.061 -6.062 585 H GLU 76 H GLU 76 8.623 -12.779 -4.296 586 HA GLU 76 HA GLU 76 9.682 -15.544 -4.046 587 HB2 GLU 76 HB2 GLU 76 7.337 -16.110 -3.312 588 HB3 GLU 76 HB3 GLU 76 8.401 -15.341 -2.141 589 HG2 GLU 76 HG2 GLU 76 7.227 -13.157 -2.577 590 HG3 GLU 76 HG3 GLU 76 6.147 -14.037 -3.688 591 H ASN 77 H ASN 77 8.328 -17.114 -5.248 592 HA ASN 77 HA ASN 77 8.392 -16.459 -7.979 593 HB2 ASN 77 HB2 ASN 77 7.069 -18.736 -6.476 594 HB3 ASN 77 HB3 ASN 77 6.932 -18.577 -8.220 595 HD21 ASN 77 HD21 ASN 77 8.956 -18.637 -9.589 596 HD22 ASN 77 HD22 ASN 77 10.294 -19.531 -8.956 597 H LYS 78 H LYS 78 5.528 -16.425 -5.745 598 HA LYS 78 HA LYS 78 4.084 -14.888 -7.850 599 HB2 LYS 78 HB2 LYS 78 2.974 -17.189 -6.293 600 HB3 LYS 78 HB3 LYS 78 2.016 -16.000 -7.183 601 HG2 LYS 78 HG2 LYS 78 3.316 -16.525 -9.261 602 HG3 LYS 78 HG3 LYS 78 4.168 -17.807 -8.377 603 HD2 LYS 78 HD2 LYS 78 1.951 -18.832 -7.835 604 HD3 LYS 78 HD3 LYS 78 1.172 -17.541 -8.756 605 HE2 LYS 78 HE2 LYS 78 1.346 -19.670 -10.026 606 HE3 LYS 78 HE3 LYS 78 2.157 -18.321 -10.834 607 HZ1 LYS 78 HZ1 LYS 78 4.225 -19.186 -10.317 608 HZ2 LYS 78 HZ2 LYS 78 3.358 -20.507 -10.714 609 HZ3 LYS 78 HZ3 LYS 78 3.677 -20.174 -9.113 610 H CYS 79 H CYS 79 5.093 -13.155 -6.505 611 HA CYS 79 HA CYS 79 4.533 -12.535 -3.957 612 HB2 CYS 79 HB2 CYS 79 5.052 -10.959 -6.421 613 HB3 CYS 79 HB3 CYS 79 4.137 -10.071 -5.215 614 HA PRO 80 HA PRO 80 0.078 -12.431 -3.734 615 HB2 PRO 80 HB2 PRO 80 -0.259 -11.386 -1.215 616 HB3 PRO 80 HB3 PRO 80 0.319 -13.049 -1.537 617 HG2 PRO 80 HG2 PRO 80 1.988 -10.592 -0.921 618 HG3 PRO 80 HG3 PRO 80 2.110 -12.230 -0.198 619 HD2 PRO 80 HD2 PRO 80 3.725 -11.406 -2.230 620 HD3 PRO 80 HD3 PRO 80 3.142 -13.092 -2.130 621 H VAL 81 H VAL 81 1.853 -9.331 -2.895 622 HA VAL 81 HA VAL 81 -0.579 -7.802 -3.322 623 HB VAL 81 HB VAL 81 2.298 -6.969 -2.779 624 HG11 VAL 81 HG11 VAL 81 1.414 -4.757 -2.268 625 HG12 VAL 81 HG12 VAL 81 1.067 -5.168 -3.949 626 HG13 VAL 81 HG13 VAL 81 -0.224 -5.277 -2.729 627 HG21 VAL 81 HG21 VAL 81 -0.141 -7.079 -0.982 628 HG22 VAL 81 HG22 VAL 81 1.278 -8.162 -0.904 629 HG23 VAL 81 HG23 VAL 81 1.465 -6.447 -0.541 630 HA PRO 82 HA PRO 82 0.261 -8.043 -7.738 631 HB2 PRO 82 HB2 PRO 82 -1.486 -6.062 -8.639 632 HB3 PRO 82 HB3 PRO 82 -1.937 -7.756 -8.303 633 HG2 PRO 82 HG2 PRO 82 -2.298 -5.327 -6.560 634 HG3 PRO 82 HG3 PRO 82 -3.406 -6.712 -6.801 635 HD2 PRO 82 HD2 PRO 82 -1.793 -6.470 -4.597 636 HD3 PRO 82 HD3 PRO 82 -2.203 -8.061 -5.305 637 H PHE 83 H PHE 83 0.462 -5.066 -5.825 638 HA PHE 83 HA PHE 83 1.783 -3.534 -7.915 639 HB2 PHE 83 HB2 PHE 83 1.356 -3.129 -4.950 640 HB3 PHE 83 HB3 PHE 83 2.505 -2.150 -5.851 641 HD1 PHE 83 HD1 PHE 83 -1.041 -3.349 -6.441 642 HD2 PHE 83 HD2 PHE 83 1.764 -0.070 -6.469 643 HE1 PHE 83 HE1 PHE 83 -2.838 -1.820 -7.098 644 HE2 PHE 83 HE2 PHE 83 -0.062 1.465 -7.155 645 HZ PHE 83 HZ PHE 83 -2.356 0.607 -7.474 646 H CYS 84 H CYS 84 2.970 -5.491 -5.054 647 HA CYS 84 HA CYS 84 5.694 -4.748 -5.531 648 HB2 CYS 84 HB2 CYS 84 6.271 -6.346 -3.939 649 HB3 CYS 84 HB3 CYS 84 4.768 -5.551 -3.369 650 H LEU 85 H LEU 85 3.601 -7.305 -6.630 651 HA LEU 85 HA LEU 85 5.440 -8.975 -7.903 652 HB2 LEU 85 HB2 LEU 85 3.099 -9.551 -7.647 653 HB3 LEU 85 HB3 LEU 85 2.606 -8.191 -8.654 654 HG LEU 85 HG LEU 85 3.632 -9.228 -10.638 655 HD11 LEU 85 HD11 LEU 85 4.153 -11.643 -8.843 656 HD12 LEU 85 HD12 LEU 85 5.408 -10.587 -9.516 657 HD13 LEU 85 HD13 LEU 85 4.422 -11.529 -10.615 658 HD21 LEU 85 HD21 LEU 85 1.291 -9.544 -10.151 659 HD22 LEU 85 HD22 LEU 85 1.644 -10.928 -9.099 660 HD23 LEU 85 HD23 LEU 85 1.953 -11.026 -10.847 661 H ASN 86 H ASN 86 4.271 -5.773 -8.890 662 HA ASN 86 HA ASN 86 5.393 -6.002 -11.580 663 HB2 ASN 86 HB2 ASN 86 3.548 -4.463 -11.288 664 HB3 ASN 86 HB3 ASN 86 4.527 -3.482 -10.176 665 HD21 ASN 86 HD21 ASN 86 5.373 -1.696 -11.222 666 HD22 ASN 86 HD22 ASN 86 5.904 -1.658 -12.879 667 H ILE 87 H ILE 87 6.503 -4.825 -8.361 668 HA ILE 87 HA ILE 87 8.907 -3.595 -9.381 669 HB ILE 87 HB ILE 87 8.107 -4.536 -6.589 670 HG12 ILE 87 HG12 ILE 87 8.650 -2.079 -6.094 671 HG13 ILE 87 HG13 ILE 87 8.747 -1.825 -7.829 672 HG21 ILE 87 HG21 ILE 87 10.437 -5.077 -6.649 673 HG22 ILE 87 HG22 ILE 87 10.847 -3.596 -7.523 674 HG23 ILE 87 HG23 ILE 87 10.322 -3.534 -5.824 675 HD11 ILE 87 HD11 ILE 87 6.598 -1.111 -6.886 676 HD12 ILE 87 HD12 ILE 87 6.356 -2.431 -8.039 677 HD13 ILE 87 HD13 ILE 87 6.296 -2.746 -6.282 678 H LYS 88 H LYS 88 8.177 -6.832 -7.973 679 HA LYS 88 HA LYS 88 10.594 -8.086 -8.251 680 HB2 LYS 88 HB2 LYS 88 8.720 -9.134 -7.167 681 HB3 LYS 88 HB3 LYS 88 7.734 -9.069 -8.612 682 HG2 LYS 88 HG2 LYS 88 8.477 -11.333 -8.066 683 HG3 LYS 88 HG3 LYS 88 8.995 -10.811 -9.668 684 HD2 LYS 88 HD2 LYS 88 11.262 -10.331 -8.801 685 HD3 LYS 88 HD3 LYS 88 10.767 -10.844 -7.178 686 HE2 LYS 88 HE2 LYS 88 10.519 -12.614 -9.644 687 HE3 LYS 88 HE3 LYS 88 12.003 -12.557 -8.678 688 HZ1 LYS 88 HZ1 LYS 88 9.357 -13.291 -7.542 689 HZ2 LYS 88 HZ2 LYS 88 10.845 -13.400 -6.823 690 HZ3 LYS 88 HZ3 LYS 88 10.459 -14.363 -8.056 691 H GLN 89 H GLN 89 8.085 -8.045 -10.826 692 HA GLN 89 HA GLN 89 9.804 -9.327 -12.729 693 HB2 GLN 89 HB2 GLN 89 8.107 -8.963 -14.363 694 HB3 GLN 89 HB3 GLN 89 7.376 -9.409 -12.820 695 HG2 GLN 89 HG2 GLN 89 7.031 -6.907 -12.452 696 HG3 GLN 89 HG3 GLN 89 7.422 -6.674 -14.147 697 HE21 GLN 89 HE21 GLN 89 5.310 -8.647 -12.016 698 HE22 GLN 89 HE22 GLN 89 3.934 -8.745 -13.108 699 H LYS 90 H LYS 90 9.929 -6.064 -11.676 700 HA LYS 90 HA LYS 90 11.165 -5.123 -14.222 701 HB2 LYS 90 HB2 LYS 90 10.369 -3.658 -11.665 702 HB3 LYS 90 HB3 LYS 90 11.232 -2.901 -13.002 703 HG2 LYS 90 HG2 LYS 90 8.569 -4.270 -13.375 704 HG3 LYS 90 HG3 LYS 90 8.695 -2.571 -12.904 705 HD2 LYS 90 HD2 LYS 90 9.855 -2.034 -14.978 706 HD3 LYS 90 HD3 LYS 90 9.925 -3.743 -15.444 707 HE2 LYS 90 HE2 LYS 90 7.381 -2.112 -15.031 708 HE3 LYS 90 HE3 LYS 90 8.089 -2.566 -16.584 709 HZ1 LYS 90 HZ1 LYS 90 7.812 -4.932 -15.788 710 HZ2 LYS 90 HZ2 LYS 90 6.430 -4.139 -16.157 711 HZ3 LYS 90 HZ3 LYS 90 6.828 -4.320 -14.590 712 H GLY 91 H GLY 91 11.908 -5.438 -10.709 713 HA2 GLY 91 HA2 GLY 91 13.880 -5.726 -9.639 714 HA3 GLY 91 HA3 GLY 91 14.633 -6.109 -11.182 715 H THR 92 H THR 92 13.379 -3.064 -11.776 716 HA THR 92 HA THR 92 15.938 -1.807 -11.407 717 HB THR 92 HB THR 92 14.734 0.040 -12.635 718 HG1 THR 92 HG1 THR 92 12.688 -0.106 -12.210 719 HG21 THR 92 HG21 THR 92 15.885 -1.880 -13.812 720 HG22 THR 92 HG22 THR 92 14.539 -1.169 -14.727 721 HG23 THR 92 HG23 THR 92 14.323 -2.709 -13.895 722 H ILE 93 H ILE 93 12.752 -1.514 -9.850 723 HA ILE 93 HA ILE 93 13.273 0.880 -8.397 724 HB ILE 93 HB ILE 93 11.461 -1.466 -7.658 725 HG12 ILE 93 HG12 ILE 93 9.648 0.244 -8.437 726 HG13 ILE 93 HG13 ILE 93 10.947 1.049 -9.298 727 HG21 ILE 93 HG21 ILE 93 11.404 1.401 -6.649 728 HG22 ILE 93 HG22 ILE 93 10.232 0.121 -6.251 729 HG23 ILE 93 HG23 ILE 93 11.896 -0.031 -5.707 730 HD11 ILE 93 HD11 ILE 93 10.247 -1.900 -9.683 731 HD12 ILE 93 HD12 ILE 93 9.494 -0.592 -10.614 732 HD13 ILE 93 HD13 ILE 93 11.223 -0.881 -10.749 733 H GLU 94 H GLU 94 13.765 -2.561 -7.581 734 HA GLU 94 HA GLU 94 15.093 -1.967 -5.105 735 HB2 GLU 94 HB2 GLU 94 15.468 -4.433 -5.017 736 HB3 GLU 94 HB3 GLU 94 13.779 -4.063 -5.411 737 HG2 GLU 94 HG2 GLU 94 14.121 -4.525 -7.752 738 HG3 GLU 94 HG3 GLU 94 15.877 -4.615 -7.550 739 H GLY 95 H GLY 95 16.062 -1.376 -7.963 740 HA2 GLY 95 HA2 GLY 95 18.898 -2.249 -7.876 741 HA3 GLY 95 HA3 GLY 95 18.075 -1.437 -9.232 742 H ARG 96 H ARG 96 18.629 -0.904 -5.749 743 HA ARG 96 HA ARG 96 18.908 0.853 -4.439 744 HB2 ARG 96 HB2 ARG 96 20.770 1.742 -6.651 745 HB3 ARG 96 HB3 ARG 96 20.927 1.986 -4.921 746 HG2 ARG 96 HG2 ARG 96 21.206 -0.723 -6.283 747 HG3 ARG 96 HG3 ARG 96 22.515 0.386 -5.972 748 HD2 ARG 96 HD2 ARG 96 20.773 -0.860 -3.834 749 HD3 ARG 96 HD3 ARG 96 22.386 -1.428 -4.291 750 HE ARG 96 HE ARG 96 21.720 0.696 -2.510 751 HH11 ARG 96 HH11 ARG 96 24.262 -0.158 -4.920 752 HH12 ARG 96 HH12 ARG 96 25.253 1.167 -4.493 753 HH21 ARG 96 HH21 ARG 96 23.254 2.234 -1.750 754 HH22 ARG 96 HH22 ARG 96 24.798 2.356 -2.504 755 H GLY 97 H GLY 97 16.746 1.260 -6.620 756 HA2 GLY 97 HA2 GLY 97 16.811 4.212 -6.862 757 HA3 GLY 97 HA3 GLY 97 16.009 3.021 -7.897 758 H ASN 98 H ASN 98 15.753 3.592 -4.249 759 HA ASN 98 HA ASN 98 12.991 4.423 -4.777 760 HB2 ASN 98 HB2 ASN 98 12.766 2.002 -4.840 761 HB3 ASN 98 HB3 ASN 98 13.526 1.869 -3.250 762 HD21 ASN 98 HD21 ASN 98 11.585 0.906 -2.371 763 HD22 ASN 98 HD22 ASN 98 10.265 1.970 -1.869 764 H GLU 99 H GLU 99 12.792 6.176 -3.642 765 HA GLU 99 HA GLU 99 13.044 6.155 -0.704 766 HB2 GLU 99 HB2 GLU 99 14.395 8.148 -2.579 767 HB3 GLU 99 HB3 GLU 99 13.975 8.517 -0.894 768 HG2 GLU 99 HG2 GLU 99 15.368 6.618 -0.130 769 HG3 GLU 99 HG3 GLU 99 15.857 6.303 -1.803 770 H PHE 100 H PHE 100 10.851 6.516 -0.247 771 HA PHE 100 HA PHE 100 9.447 8.642 -1.797 772 HB2 PHE 100 HB2 PHE 100 8.743 6.217 -2.243 773 HB3 PHE 100 HB3 PHE 100 8.083 6.218 -0.623 774 HD1 PHE 100 HD1 PHE 100 7.055 6.228 -3.773 775 HD2 PHE 100 HD2 PHE 100 6.604 8.808 -0.295 776 HE1 PHE 100 HE1 PHE 100 4.886 7.050 -4.616 777 HE2 PHE 100 HE2 PHE 100 4.472 9.588 -1.179 778 HZ PHE 100 HZ PHE 100 3.586 8.708 -3.333 779 H LEU 101 H LEU 101 8.899 10.325 -0.474 780 HA LEU 101 HA LEU 101 8.542 9.784 2.462 781 HB2 LEU 101 HB2 LEU 101 9.705 12.247 1.120 782 HB3 LEU 101 HB3 LEU 101 9.432 12.038 2.845 783 HG LEU 101 HG LEU 101 11.392 10.412 1.151 784 HD11 LEU 101 HD11 LEU 101 11.974 12.776 1.456 785 HD12 LEU 101 HD12 LEU 101 13.095 11.723 2.325 786 HD13 LEU 101 HD13 LEU 101 11.831 12.597 3.228 787 HD21 LEU 101 HD21 LEU 101 10.948 10.445 4.163 788 HD22 LEU 101 HD22 LEU 101 12.269 9.607 3.297 789 HD23 LEU 101 HD23 LEU 101 10.595 9.079 3.079 790 H SER 102 H SER 102 6.588 10.368 3.227 791 HA SER 102 HA SER 102 5.006 12.453 1.890 792 HB2 SER 102 HB2 SER 102 4.514 9.910 1.230 793 HB3 SER 102 HB3 SER 102 3.705 9.877 2.809 794 HG SER 102 HG SER 102 2.435 10.373 0.922 795 HA PRO 103 HA PRO 103 4.440 13.378 6.273 796 HB2 PRO 103 HB2 PRO 103 2.577 15.303 6.184 797 HB3 PRO 103 HB3 PRO 103 4.087 15.518 5.269 798 HG2 PRO 103 HG2 PRO 103 1.435 14.468 4.216 799 HG3 PRO 103 HG3 PRO 103 2.416 15.809 3.561 800 HD2 PRO 103 HD2 PRO 103 2.587 13.239 2.639 801 HD3 PRO 103 HD3 PRO 103 3.994 14.343 2.656 802 H GLU 104 H GLU 104 2.044 13.950 7.583 803 HA GLU 104 HA GLU 104 0.983 11.527 8.353 804 HB2 GLU 104 HB2 GLU 104 -0.736 12.751 9.494 805 HB3 GLU 104 HB3 GLU 104 0.747 13.700 9.578 806 HG2 GLU 104 HG2 GLU 104 -0.095 15.025 7.574 807 HG3 GLU 104 HG3 GLU 104 -1.633 14.201 7.745 808 H VAL 105 H VAL 105 0.060 13.303 5.489 809 HA VAL 105 HA VAL 105 -2.531 12.385 5.069 810 HB VAL 105 HB VAL 105 -0.353 12.866 3.005 811 HG11 VAL 105 HG11 VAL 105 -2.293 13.433 1.489 812 HG12 VAL 105 HG12 VAL 105 -2.241 11.718 1.937 813 HG13 VAL 105 HG13 VAL 105 -3.395 12.802 2.733 814 HG21 VAL 105 HG21 VAL 105 -1.213 15.137 2.871 815 HG22 VAL 105 HG22 VAL 105 -2.500 14.767 4.030 816 HG23 VAL 105 HG23 VAL 105 -0.817 14.834 4.561 817 H PHE 106 H PHE 106 0.501 10.620 4.858 818 HA PHE 106 HA PHE 106 -0.345 8.372 3.351 819 HB2 PHE 106 HB2 PHE 106 1.977 8.657 3.845 820 HB3 PHE 106 HB3 PHE 106 1.670 8.831 5.567 821 HD1 PHE 106 HD1 PHE 106 0.811 6.153 3.012 822 HD2 PHE 106 HD2 PHE 106 2.535 7.119 6.849 823 HE1 PHE 106 HE1 PHE 106 1.222 3.781 3.413 824 HE2 PHE 106 HE2 PHE 106 2.994 4.704 7.223 825 HZ PHE 106 HZ PHE 106 2.335 3.030 5.521 826 H GLN 107 H GLN 107 -0.922 9.261 6.741 827 HA GLN 107 HA GLN 107 -2.056 6.685 7.474 828 HB2 GLN 107 HB2 GLN 107 -2.095 9.335 8.989 829 HB3 GLN 107 HB3 GLN 107 -2.497 7.729 9.611 830 HG2 GLN 107 HG2 GLN 107 -0.142 6.998 8.977 831 HG3 GLN 107 HG3 GLN 107 0.222 8.688 8.610 832 HE21 GLN 107 HE21 GLN 107 -1.638 7.265 11.395 833 HE22 GLN 107 HE22 GLN 107 -0.500 7.788 12.598 834 H HIS 108 H HIS 108 -3.222 9.672 6.037 835 HA HIS 108 HA HIS 108 -5.939 9.455 6.872 836 HB2 HIS 108 HB2 HIS 108 -4.874 10.671 4.289 837 HB3 HIS 108 HB3 HIS 108 -6.460 10.914 4.988 838 HD1 HIS 108 HD1 HIS 108 -5.348 13.605 4.748 839 HD2 HIS 108 HD2 HIS 108 -4.108 11.060 7.873 840 HE1 HIS 108 HE1 HIS 108 -4.453 15.092 6.602 841 H ILE 109 H ILE 109 -4.053 7.699 4.537 842 HA ILE 109 HA ILE 109 -6.217 6.584 2.994 843 HB ILE 109 HB ILE 109 -3.327 5.814 3.436 844 HG12 ILE 109 HG12 ILE 109 -3.183 6.197 0.954 845 HG13 ILE 109 HG13 ILE 109 -4.865 6.742 0.966 846 HG21 ILE 109 HG21 ILE 109 -4.365 3.692 3.152 847 HG22 ILE 109 HG22 ILE 109 -5.268 4.253 1.721 848 HG23 ILE 109 HG23 ILE 109 -3.495 4.094 1.692 849 HD11 ILE 109 HD11 ILE 109 -4.233 8.703 2.264 850 HD12 ILE 109 HD12 ILE 109 -2.583 8.048 2.482 851 HD13 ILE 109 HD13 ILE 109 -3.145 8.547 0.879 852 H TRP 110 H TRP 110 -4.707 5.826 6.161 853 HA TRP 110 HA TRP 110 -6.109 3.280 6.329 854 HB2 TRP 110 HB2 TRP 110 -4.473 4.626 8.486 855 HB3 TRP 110 HB3 TRP 110 -4.957 2.925 8.370 856 HD1 TRP 110 HD1 TRP 110 -1.931 4.624 8.152 857 HE1 TRP 110 HE1 TRP 110 -0.290 3.770 6.386 858 HE3 TRP 110 HE3 TRP 110 -5.110 1.596 5.458 859 HZ2 TRP 110 HZ2 TRP 110 -0.497 2.379 3.835 860 HZ3 TRP 110 HZ3 TRP 110 -4.329 0.485 3.459 861 HH2 TRP 110 HH2 TRP 110 -2.077 0.968 2.518 862 H ASP 111 H ASP 111 -6.518 6.575 7.422 863 HA ASP 111 HA ASP 111 -8.517 6.107 9.400 864 HB2 ASP 111 HB2 ASP 111 -7.193 8.280 8.814 865 HB3 ASP 111 HB3 ASP 111 -8.384 8.537 7.556 866 H PHE 112 H PHE 112 -8.811 6.699 5.894 867 HA PHE 112 HA PHE 112 -11.707 6.369 6.056 868 HB2 PHE 112 HB2 PHE 112 -11.862 7.196 3.978 869 HB3 PHE 112 HB3 PHE 112 -10.248 7.802 4.299 870 HD1 PHE 112 HD1 PHE 112 -12.298 5.390 2.390 871 HD2 PHE 112 HD2 PHE 112 -8.287 6.574 3.356 872 HE1 PHE 112 HE1 PHE 112 -11.434 3.800 0.709 873 HE2 PHE 112 HE2 PHE 112 -7.394 4.987 1.683 874 HZ PHE 112 HZ PHE 112 -8.983 3.565 0.359 875 H LEU 113 H LEU 113 -9.020 4.172 5.754 876 HA LEU 113 HA LEU 113 -10.040 2.209 4.102 877 HB2 LEU 113 HB2 LEU 113 -8.384 0.868 4.746 878 HB3 LEU 113 HB3 LEU 113 -7.792 2.331 5.474 879 HG LEU 113 HG LEU 113 -8.927 1.442 7.672 880 HD11 LEU 113 HD11 LEU 113 -8.852 -1.109 7.779 881 HD12 LEU 113 HD12 LEU 113 -8.711 -1.130 6.008 882 HD13 LEU 113 HD13 LEU 113 -10.161 -0.505 6.788 883 HD21 LEU 113 HD21 LEU 113 -6.929 0.006 8.169 884 HD22 LEU 113 HD22 LEU 113 -6.518 1.546 7.460 885 HD23 LEU 113 HD23 LEU 113 -6.495 0.080 6.450 886 H GLU 114 H GLU 114 -10.950 2.836 7.437 887 HA GLU 114 HA GLU 114 -12.731 0.478 7.476 888 HB2 GLU 114 HB2 GLU 114 -13.104 1.048 9.790 889 HB3 GLU 114 HB3 GLU 114 -11.379 0.942 9.436 890 HG2 GLU 114 HG2 GLU 114 -11.198 3.401 9.360 891 HG3 GLU 114 HG3 GLU 114 -12.939 3.556 9.691 892 H GLN 115 H GLN 115 -12.951 3.920 6.848 893 HA GLN 115 HA GLN 115 -15.802 4.016 7.478 894 HB2 GLN 115 HB2 GLN 115 -15.532 6.240 7.434 895 HB3 GLN 115 HB3 GLN 115 -13.828 5.874 7.484 896 HG2 GLN 115 HG2 GLN 115 -13.817 6.085 4.938 897 HG3 GLN 115 HG3 GLN 115 -15.495 6.634 5.068 898 HE21 GLN 115 HE21 GLN 115 -14.909 8.708 4.101 899 HE22 GLN 115 HE22 GLN 115 -14.047 9.899 5.032 900 HA PRO 116 HA PRO 116 -17.260 2.776 3.462 901 HB2 PRO 116 HB2 PRO 116 -19.518 4.245 3.034 902 HB3 PRO 116 HB3 PRO 116 -19.406 3.058 4.368 903 HG2 PRO 116 HG2 PRO 116 -18.947 6.058 4.504 904 HG3 PRO 116 HG3 PRO 116 -19.991 5.056 5.562 905 HD2 PRO 116 HD2 PRO 116 -17.439 5.744 6.248 906 HD3 PRO 116 HD3 PRO 116 -18.131 4.164 6.694 907 H ILE 117 H ILE 117 -18.161 4.008 1.202 908 HA ILE 117 HA ILE 117 -15.904 5.829 0.517 909 HB ILE 117 HB ILE 117 -17.962 4.482 -1.266 910 HG12 ILE 117 HG12 ILE 117 -16.449 2.824 -0.493 911 HG13 ILE 117 HG13 ILE 117 -16.052 3.195 -2.155 912 HG21 ILE 117 HG21 ILE 117 -17.307 6.606 -2.276 913 HG22 ILE 117 HG22 ILE 117 -15.591 6.285 -1.966 914 HG23 ILE 117 HG23 ILE 117 -16.497 5.302 -3.130 915 HD11 ILE 117 HD11 ILE 117 -14.122 4.594 -1.404 916 HD12 ILE 117 HD12 ILE 117 -14.501 4.190 0.290 917 HD13 ILE 117 HD13 ILE 117 -14.025 2.926 -0.834 918 H SER 118 H SER 118 -16.369 7.732 1.383 919 HA SER 118 HA SER 118 -18.846 9.111 0.492 920 HB2 SER 118 HB2 SER 118 -17.583 9.125 3.263 921 HB3 SER 118 HB3 SER 118 -18.933 10.132 2.728 922 HG SER 118 HG SER 118 -19.649 8.290 3.814 923 H SER 119 H SER 119 -15.408 9.485 1.671 924 HA SER 119 HA SER 119 -15.016 11.803 -0.080 925 HB2 SER 119 HB2 SER 119 -13.756 12.622 2.179 926 HB3 SER 119 HB3 SER 119 -15.371 13.138 1.684 927 HG SER 119 HG SER 119 -15.257 12.474 3.873 928 H VAL 120 H VAL 120 -13.337 11.380 -1.214 929 HA VAL 120 HA VAL 120 -11.007 9.947 -0.109 930 HB VAL 120 HB VAL 120 -12.359 9.100 -2.708 931 HG11 VAL 120 HG11 VAL 120 -9.748 8.204 -1.400 932 HG12 VAL 120 HG12 VAL 120 -10.524 7.375 -2.779 933 HG13 VAL 120 HG13 VAL 120 -9.908 9.009 -2.957 934 HG21 VAL 120 HG21 VAL 120 -12.665 6.919 -1.649 935 HG22 VAL 120 HG22 VAL 120 -11.950 7.529 -0.130 936 HG23 VAL 120 HG23 VAL 120 -13.499 8.149 -0.725 937 H GLN 121 H GLN 121 -10.159 12.020 -0.027 938 HA GLN 121 HA GLN 121 -8.947 13.006 -2.442 939 HB2 GLN 121 HB2 GLN 121 -9.746 15.310 -2.078 940 HB3 GLN 121 HB3 GLN 121 -11.047 14.226 -2.561 941 HG2 GLN 121 HG2 GLN 121 -11.767 14.099 -0.135 942 HG3 GLN 121 HG3 GLN 121 -10.515 15.285 0.256 943 HE21 GLN 121 HE21 GLN 121 -13.800 15.126 -0.208 944 HE22 GLN 121 HE22 GLN 121 -14.054 16.669 -0.970 945 HA PRO 122 HA PRO 122 -6.041 13.742 0.892 946 HB2 PRO 122 HB2 PRO 122 -4.182 15.380 -0.228 947 HB3 PRO 122 HB3 PRO 122 -4.385 13.673 -0.734 948 HG2 PRO 122 HG2 PRO 122 -5.436 16.165 -2.054 949 HG3 PRO 122 HG3 PRO 122 -4.682 14.750 -2.834 950 HD2 PRO 122 HD2 PRO 122 -7.421 15.143 -2.677 951 HD3 PRO 122 HD3 PRO 122 -6.668 13.526 -2.753 952 H ILE 123 H ILE 123 -6.817 14.875 2.555 953 HA ILE 123 HA ILE 123 -8.081 17.486 2.281 954 HB ILE 123 HB ILE 123 -8.606 17.247 4.618 955 HG12 ILE 123 HG12 ILE 123 -7.129 14.584 4.607 956 HG13 ILE 123 HG13 ILE 123 -6.489 16.056 5.340 957 HG21 ILE 123 HG21 ILE 123 -9.128 14.576 3.247 958 HG22 ILE 123 HG22 ILE 123 -10.189 15.480 4.344 959 HG23 ILE 123 HG23 ILE 123 -9.864 16.079 2.707 960 HD11 ILE 123 HD11 ILE 123 -9.034 14.634 6.201 961 HD12 ILE 123 HD12 ILE 123 -7.480 14.659 7.052 962 HD13 ILE 123 HD13 ILE 123 -8.413 16.158 6.879 963 H ASP 124 H ASP 124 -4.843 16.470 2.726 964 HA ASP 124 HA ASP 124 -3.975 19.117 3.514 965 HB2 ASP 124 HB2 ASP 124 -4.346 17.643 5.635 966 HB3 ASP 124 HB3 ASP 124 -2.956 16.716 5.090 Start of MODEL 13 1 H1 ALA 1 H ALA 1 19.153 -3.884 18.881 2 HA ALA 1 HA ALA 1 21.097 -1.668 18.995 3 HB1 ALA 1 HB1 ALA 1 21.579 -1.961 16.662 4 HB2 ALA 1 HB2 ALA 1 21.921 -3.475 17.509 5 HB3 ALA 1 HB3 ALA 1 20.446 -3.315 16.528 6 H THR 2 H THR 2 20.090 0.248 18.945 7 HA THR 2 HA THR 2 17.922 0.716 17.059 8 HB THR 2 HB THR 2 16.920 2.115 19.180 9 HG1 THR 2 HG1 THR 2 18.327 0.795 20.612 10 HG21 THR 2 HG21 THR 2 15.060 0.610 19.117 11 HG22 THR 2 HG22 THR 2 16.075 -0.731 18.503 12 HG23 THR 2 HG23 THR 2 15.716 0.681 17.493 13 H GLN 3 H GLN 3 18.999 2.102 15.926 14 HA GLN 3 HA GLN 3 20.043 4.577 17.052 15 HB2 GLN 3 HB2 GLN 3 21.905 2.787 17.072 16 HB3 GLN 3 HB3 GLN 3 21.934 2.957 15.319 17 HG2 GLN 3 HG2 GLN 3 22.491 5.362 15.562 18 HG3 GLN 3 HG3 GLN 3 22.364 5.217 17.322 19 HE21 GLN 3 HE21 GLN 3 24.826 5.944 15.594 20 HE22 GLN 3 HE22 GLN 3 25.983 4.710 16.078 21 H SER 4 H SER 4 19.291 2.547 14.236 22 HA SER 4 HA SER 4 19.380 4.702 12.309 23 HB2 SER 4 HB2 SER 4 19.670 2.155 11.912 24 HB3 SER 4 HB3 SER 4 17.913 2.043 12.048 25 HG SER 4 HG SER 4 18.177 2.370 9.942 26 HA PRO 5 HA PRO 5 15.189 6.082 13.337 27 HB2 PRO 5 HB2 PRO 5 14.611 7.713 11.208 28 HB3 PRO 5 HB3 PRO 5 15.768 8.160 12.506 29 HG2 PRO 5 HG2 PRO 5 16.381 6.959 9.797 30 HG3 PRO 5 HG3 PRO 5 17.151 8.371 10.583 31 HD2 PRO 5 HD2 PRO 5 18.295 5.915 10.690 32 HD3 PRO 5 HD3 PRO 5 18.320 7.007 12.108 33 H GLY 6 H GLY 6 16.047 4.289 10.486 34 HA2 GLY 6 HA2 GLY 6 13.563 3.847 9.257 35 HA3 GLY 6 HA3 GLY 6 14.966 2.773 9.183 36 H ASP 7 H ASP 7 14.316 3.048 12.409 37 HA ASP 7 HA ASP 7 13.148 0.403 12.708 38 HB2 ASP 7 HB2 ASP 7 14.711 0.833 14.283 39 HB3 ASP 7 HB3 ASP 7 14.277 2.552 14.437 40 H SER 8 H SER 8 12.129 3.834 13.427 41 HA SER 8 HA SER 8 9.491 3.092 14.250 42 HB2 SER 8 HB2 SER 8 10.579 5.266 14.739 43 HB3 SER 8 HB3 SER 8 10.472 5.707 13.034 44 HG SER 8 HG SER 8 8.269 5.222 14.816 45 H ARG 9 H ARG 9 10.884 4.147 11.132 46 HA ARG 9 HA ARG 9 8.508 3.982 9.619 47 HB2 ARG 9 HB2 ARG 9 11.336 3.441 8.628 48 HB3 ARG 9 HB3 ARG 9 9.948 3.815 7.622 49 HG2 ARG 9 HG2 ARG 9 11.202 5.694 9.679 50 HG3 ARG 9 HG3 ARG 9 11.442 5.763 7.942 51 HD2 ARG 9 HD2 ARG 9 8.764 6.174 9.344 52 HD3 ARG 9 HD3 ARG 9 9.831 7.460 8.773 53 HE ARG 9 HE ARG 9 9.576 6.225 6.494 54 HH11 ARG 9 HH11 ARG 9 7.090 7.315 8.750 55 HH12 ARG 9 HH12 ARG 9 5.828 7.412 7.602 56 HH21 ARG 9 HH21 ARG 9 7.935 6.123 4.965 57 HH22 ARG 9 HH22 ARG 9 6.298 6.568 5.341 58 H ARG 10 H ARG 10 10.967 1.322 10.110 59 HA ARG 10 HA ARG 10 9.505 -0.502 8.560 60 HB2 ARG 10 HB2 ARG 10 10.864 -2.243 9.331 61 HB3 ARG 10 HB3 ARG 10 11.896 -0.809 9.360 62 HG2 ARG 10 HG2 ARG 10 11.601 -0.655 11.754 63 HG3 ARG 10 HG3 ARG 10 10.634 -2.122 11.793 64 HD2 ARG 10 HD2 ARG 10 13.521 -1.980 10.827 65 HD3 ARG 10 HD3 ARG 10 13.029 -2.294 12.497 66 HE ARG 10 HE ARG 10 11.623 -4.136 10.997 67 HH11 ARG 10 HH11 ARG 10 14.937 -3.496 12.129 68 HH12 ARG 10 HH12 ARG 10 15.462 -5.131 11.923 69 HH21 ARG 10 HH21 ARG 10 12.301 -6.345 10.854 70 HH22 ARG 10 HH22 ARG 10 13.876 -6.791 11.439 71 H LEU 11 H LEU 11 9.306 -0.184 12.177 72 HA LEU 11 HA LEU 11 7.244 -2.136 12.317 73 HB2 LEU 11 HB2 LEU 11 6.957 -1.518 14.611 74 HB3 LEU 11 HB3 LEU 11 8.650 -1.556 14.184 75 HG LEU 11 HG LEU 11 8.310 1.069 13.837 76 HD11 LEU 11 HD11 LEU 11 5.875 1.170 14.325 77 HD12 LEU 11 HD12 LEU 11 6.808 2.035 15.528 78 HD13 LEU 11 HD13 LEU 11 6.182 0.419 15.901 79 HD21 LEU 11 HD21 LEU 11 9.872 0.019 15.418 80 HD22 LEU 11 HD22 LEU 11 8.543 -0.216 16.579 81 HD23 LEU 11 HD23 LEU 11 9.083 1.418 16.115 82 H SER 12 H SER 12 6.990 1.283 11.521 83 HA SER 12 HA SER 12 4.143 1.367 12.125 84 HB2 SER 12 HB2 SER 12 5.804 3.261 12.354 85 HB3 SER 12 HB3 SER 12 5.853 3.367 10.585 86 HG SER 12 HG SER 12 3.410 3.446 12.045 87 H ILE 13 H ILE 13 6.192 1.309 9.112 88 HA ILE 13 HA ILE 13 3.990 1.178 7.331 89 HB ILE 13 HB ILE 13 6.898 0.331 7.071 90 HG12 ILE 13 HG12 ILE 13 5.412 2.687 5.809 91 HG13 ILE 13 HG13 ILE 13 6.225 2.809 7.368 92 HG21 ILE 13 HG21 ILE 13 6.396 0.347 4.560 93 HG22 ILE 13 HG22 ILE 13 5.803 -1.025 5.494 94 HG23 ILE 13 HG23 ILE 13 4.683 0.250 5.015 95 HD11 ILE 13 HD11 ILE 13 7.564 2.242 4.700 96 HD12 ILE 13 HD12 ILE 13 7.730 3.661 5.745 97 HD13 ILE 13 HD13 ILE 13 8.378 2.100 6.277 98 H GLN 14 H GLN 14 5.925 -1.466 8.866 99 HA GLN 14 HA GLN 14 4.679 -3.661 7.694 100 HB2 GLN 14 HB2 GLN 14 5.821 -3.188 10.471 101 HB3 GLN 14 HB3 GLN 14 5.137 -4.743 10.040 102 HG2 GLN 14 HG2 GLN 14 7.336 -3.427 8.396 103 HG3 GLN 14 HG3 GLN 14 7.664 -4.507 9.754 104 HE21 GLN 14 HE21 GLN 14 8.310 -4.829 6.853 105 HE22 GLN 14 HE22 GLN 14 7.547 -6.369 6.406 106 H ARG 15 H ARG 15 3.435 -1.685 10.475 107 HA ARG 15 HA ARG 15 1.341 -3.383 11.187 108 HB2 ARG 15 HB2 ARG 15 2.128 -1.355 12.415 109 HB3 ARG 15 HB3 ARG 15 1.285 -0.348 11.230 110 HG2 ARG 15 HG2 ARG 15 -0.871 -1.422 11.842 111 HG3 ARG 15 HG3 ARG 15 -0.036 -2.428 13.028 112 HD2 ARG 15 HD2 ARG 15 -0.276 0.605 13.043 113 HD3 ARG 15 HD3 ARG 15 -1.149 -0.544 14.081 114 HE ARG 15 HE ARG 15 1.599 -0.987 14.485 115 HH11 ARG 15 HH11 ARG 15 -0.802 1.580 15.128 116 HH12 ARG 15 HH12 ARG 15 0.141 2.305 16.390 117 HH21 ARG 15 HH21 ARG 15 2.723 -0.134 16.225 118 HH22 ARG 15 HH22 ARG 15 2.132 1.283 17.078 119 H ALA 16 H ALA 16 1.408 -1.012 8.481 120 HA ALA 16 HA ALA 16 -1.415 -1.378 7.868 121 HB1 ALA 16 HB1 ALA 16 -0.203 0.713 7.366 122 HB2 ALA 16 HB2 ALA 16 0.863 -0.164 6.240 123 HB3 ALA 16 HB3 ALA 16 -0.870 -0.017 5.906 124 H ILE 17 H ILE 17 1.678 -2.310 6.322 125 HA ILE 17 HA ILE 17 0.729 -3.935 4.350 126 HB ILE 17 HB ILE 17 3.369 -4.015 5.817 127 HG12 ILE 17 HG12 ILE 17 2.359 -2.778 3.203 128 HG13 ILE 17 HG13 ILE 17 2.837 -1.917 4.674 129 HG21 ILE 17 HG21 ILE 17 3.079 -6.213 4.750 130 HG22 ILE 17 HG22 ILE 17 2.642 -5.428 3.217 131 HG23 ILE 17 HG23 ILE 17 4.288 -5.292 3.884 132 HD11 ILE 17 HD11 ILE 17 4.602 -3.327 2.690 133 HD12 ILE 17 HD12 ILE 17 4.631 -1.638 3.203 134 HD13 ILE 17 HD13 ILE 17 5.148 -2.917 4.336 135 H GLN 18 H GLN 18 1.060 -4.937 7.724 136 HA GLN 18 HA GLN 18 0.955 -7.743 7.352 137 HB2 GLN 18 HB2 GLN 18 -0.064 -5.798 9.487 138 HB3 GLN 18 HB3 GLN 18 -0.364 -7.513 9.666 139 HG2 GLN 18 HG2 GLN 18 1.943 -8.052 9.831 140 HG3 GLN 18 HG3 GLN 18 2.459 -6.445 9.364 141 HE21 GLN 18 HE21 GLN 18 3.080 -7.978 11.860 142 HE22 GLN 18 HE22 GLN 18 2.526 -6.928 13.158 143 H SER 19 H SER 19 -1.624 -5.340 7.354 144 HA SER 19 HA SER 19 -3.726 -7.386 7.069 145 HB2 SER 19 HB2 SER 19 -3.842 -5.245 8.486 146 HB3 SER 19 HB3 SER 19 -4.038 -4.365 6.963 147 HG SER 19 HG SER 19 -5.654 -6.558 7.762 148 H LEU 20 H LEU 20 -2.058 -4.917 5.099 149 HA LEU 20 HA LEU 20 -3.657 -4.920 2.827 150 HB2 LEU 20 HB2 LEU 20 -1.743 -3.438 3.278 151 HB3 LEU 20 HB3 LEU 20 -0.613 -4.755 3.004 152 HG LEU 20 HG LEU 20 -2.567 -4.098 0.825 153 HD11 LEU 20 HD11 LEU 20 0.029 -2.557 1.301 154 HD12 LEU 20 HD12 LEU 20 -1.624 -1.884 1.485 155 HD13 LEU 20 HD13 LEU 20 -1.035 -2.407 -0.095 156 HD21 LEU 20 HD21 LEU 20 -1.115 -5.963 0.313 157 HD22 LEU 20 HD22 LEU 20 0.314 -5.053 0.867 158 HD23 LEU 20 HD23 LEU 20 -0.549 -4.579 -0.598 159 H VAL 21 H VAL 21 -0.813 -6.987 3.453 160 HA VAL 21 HA VAL 21 -0.909 -8.493 1.048 161 HB VAL 21 HB VAL 21 0.151 -9.266 3.805 162 HG11 VAL 21 HG11 VAL 21 0.659 -10.543 1.066 163 HG12 VAL 21 HG12 VAL 21 1.591 -10.893 2.537 164 HG13 VAL 21 HG13 VAL 21 -0.116 -11.315 2.464 165 HG21 VAL 21 HG21 VAL 21 1.580 -8.169 1.340 166 HG22 VAL 21 HG22 VAL 21 1.235 -7.259 2.833 167 HG23 VAL 21 HG23 VAL 21 2.341 -8.626 2.872 168 H HIS 22 H HIS 22 -2.380 -9.205 4.252 169 HA HIS 22 HA HIS 22 -3.568 -11.635 3.585 170 HB2 HIS 22 HB2 HIS 22 -3.447 -10.811 5.876 171 HB3 HIS 22 HB3 HIS 22 -4.533 -9.474 5.514 172 HD1 HIS 22 HD1 HIS 22 -4.598 -13.288 5.895 173 HD2 HIS 22 HD2 HIS 22 -7.175 -10.001 5.232 174 HE1 HIS 22 HE1 HIS 22 -6.946 -14.209 5.853 175 H ALA 23 H ALA 23 -4.961 -8.316 3.253 176 HA ALA 23 HA ALA 23 -7.479 -9.126 2.272 177 HB1 ALA 23 HB1 ALA 23 -6.827 -6.868 3.100 178 HB2 ALA 23 HB2 ALA 23 -5.900 -6.619 1.601 179 HB3 ALA 23 HB3 ALA 23 -7.662 -6.812 1.523 180 H ALA 24 H ALA 24 -4.396 -8.951 0.599 181 HA ALA 24 HA ALA 24 -5.557 -8.810 -2.081 182 HB1 ALA 24 HB1 ALA 24 -2.717 -9.578 -1.218 183 HB2 ALA 24 HB2 ALA 24 -3.252 -9.214 -2.858 184 HB3 ALA 24 HB3 ALA 24 -3.250 -7.943 -1.632 185 H GLN 25 H GLN 25 -3.838 -11.276 -0.181 186 HA GLN 25 HA GLN 25 -4.480 -13.394 -2.056 187 HB2 GLN 25 HB2 GLN 25 -3.197 -14.814 -0.659 188 HB3 GLN 25 HB3 GLN 25 -2.378 -13.274 -0.874 189 HG2 GLN 25 HG2 GLN 25 -3.231 -12.618 1.446 190 HG3 GLN 25 HG3 GLN 25 -3.802 -14.275 1.621 191 HE21 GLN 25 HE21 GLN 25 -2.139 -14.247 3.603 192 HE22 GLN 25 HE22 GLN 25 -0.517 -14.679 3.112 193 H CYS 26 H CYS 26 -6.420 -12.080 0.398 194 HA CYS 26 HA CYS 26 -7.602 -14.441 1.438 195 HB2 CYS 26 HB2 CYS 26 -7.789 -12.381 2.585 196 HB3 CYS 26 HB3 CYS 26 -8.531 -11.570 1.206 197 H ARG 27 H ARG 27 -8.208 -15.919 -0.063 198 HA ARG 27 HA ARG 27 -10.662 -15.386 -1.617 199 HB2 ARG 27 HB2 ARG 27 -8.170 -16.588 -2.926 200 HB3 ARG 27 HB3 ARG 27 -9.791 -16.511 -3.632 201 HG2 ARG 27 HG2 ARG 27 -9.539 -13.934 -3.341 202 HG3 ARG 27 HG3 ARG 27 -7.811 -14.279 -3.100 203 HD2 ARG 27 HD2 ARG 27 -8.057 -13.796 -5.420 204 HD3 ARG 27 HD3 ARG 27 -7.887 -15.553 -5.319 205 HE ARG 27 HE ARG 27 -10.143 -15.830 -5.933 206 HH11 ARG 27 HH11 ARG 27 -9.702 -12.421 -5.036 207 HH12 ARG 27 HH12 ARG 27 -11.241 -11.959 -5.712 208 HH21 ARG 27 HH21 ARG 27 -12.029 -15.146 -6.988 209 HH22 ARG 27 HH22 ARG 27 -12.567 -13.499 -6.781 210 H ASN 28 H ASN 28 -11.385 -16.702 0.284 211 HA ASN 28 HA ASN 28 -11.535 -19.498 -0.409 212 HB2 ASN 28 HB2 ASN 28 -9.184 -19.280 0.757 213 HB3 ASN 28 HB3 ASN 28 -10.100 -18.932 2.222 214 HD21 ASN 28 HD21 ASN 28 -9.311 -21.423 -0.233 215 HD22 ASN 28 HD22 ASN 28 -9.988 -22.739 0.671 216 H ALA 29 H ALA 29 -13.225 -20.472 0.781 217 HA ALA 29 HA ALA 29 -15.139 -18.728 1.949 218 HB1 ALA 29 HB1 ALA 29 -16.346 -20.821 2.441 219 HB2 ALA 29 HB2 ALA 29 -15.727 -20.826 0.777 220 HB3 ALA 29 HB3 ALA 29 -14.902 -21.767 2.051 221 H ASN 30 H ASN 30 -12.416 -20.481 3.407 222 HA ASN 30 HA ASN 30 -13.611 -20.392 6.096 223 HB2 ASN 30 HB2 ASN 30 -12.084 -22.230 5.376 224 HB3 ASN 30 HB3 ASN 30 -10.756 -21.062 5.237 225 HD21 ASN 30 HD21 ASN 30 -9.384 -21.277 7.090 226 HD22 ASN 30 HD22 ASN 30 -10.017 -21.569 8.692 227 H CYS 31 H CYS 31 -11.661 -18.253 4.130 228 HA CYS 31 HA CYS 31 -10.283 -16.987 6.317 229 HB2 CYS 31 HB2 CYS 31 -9.507 -17.008 3.928 230 HB3 CYS 31 HB3 CYS 31 -10.838 -15.895 3.531 231 H SER 32 H SER 32 -11.275 -15.860 7.846 232 HA SER 32 HA SER 32 -13.267 -13.791 7.085 233 HB2 SER 32 HB2 SER 32 -13.496 -15.767 9.367 234 HB3 SER 32 HB3 SER 32 -14.591 -14.424 9.063 235 HG SER 32 HG SER 32 -15.395 -15.474 7.320 236 H LEU 33 H LEU 33 -11.667 -12.137 7.381 237 HA LEU 33 HA LEU 33 -10.682 -11.876 10.188 238 HB2 LEU 33 HB2 LEU 33 -9.340 -11.557 7.587 239 HB3 LEU 33 HB3 LEU 33 -9.117 -10.177 8.680 240 HG LEU 33 HG LEU 33 -8.514 -11.960 10.472 241 HD11 LEU 33 HD11 LEU 33 -9.216 -13.984 9.364 242 HD12 LEU 33 HD12 LEU 33 -7.445 -14.008 9.444 243 HD13 LEU 33 HD13 LEU 33 -8.257 -13.589 7.926 244 HD21 LEU 33 HD21 LEU 33 -6.646 -11.463 8.139 245 HD22 LEU 33 HD22 LEU 33 -6.161 -11.999 9.753 246 HD23 LEU 33 HD23 LEU 33 -6.888 -10.390 9.538 247 HA PRO 34 HA PRO 34 -13.260 -8.374 10.517 248 HB2 PRO 34 HB2 PRO 34 -11.936 -6.808 12.362 249 HB3 PRO 34 HB3 PRO 34 -12.842 -8.298 12.753 250 HG2 PRO 34 HG2 PRO 34 -9.862 -7.997 12.291 251 HG3 PRO 34 HG3 PRO 34 -10.696 -8.868 13.615 252 HD2 PRO 34 HD2 PRO 34 -9.771 -10.195 11.467 253 HD3 PRO 34 HD3 PRO 34 -11.351 -10.628 12.173 254 H SER 35 H SER 35 -9.829 -7.574 9.893 255 HA SER 35 HA SER 35 -10.649 -4.945 8.832 256 HB2 SER 35 HB2 SER 35 -8.485 -5.673 10.279 257 HB3 SER 35 HB3 SER 35 -7.819 -5.834 8.647 258 HG SER 35 HG SER 35 -9.115 -3.561 9.796 259 H CYS 36 H CYS 36 -9.734 -8.151 7.615 260 HA CYS 36 HA CYS 36 -8.868 -7.670 5.077 261 HB2 CYS 36 HB2 CYS 36 -9.154 -9.877 6.263 262 HB3 CYS 36 HB3 CYS 36 -10.876 -9.825 5.913 263 H GLN 37 H GLN 37 -12.328 -8.159 5.912 264 HA GLN 37 HA GLN 37 -13.433 -7.460 3.460 265 HB2 GLN 37 HB2 GLN 37 -15.521 -7.025 4.678 266 HB3 GLN 37 HB3 GLN 37 -14.722 -8.501 5.215 267 HG2 GLN 37 HG2 GLN 37 -13.867 -7.294 7.230 268 HG3 GLN 37 HG3 GLN 37 -14.675 -5.818 6.678 269 HE21 GLN 37 HE21 GLN 37 -16.451 -5.497 8.103 270 HE22 GLN 37 HE22 GLN 37 -17.540 -6.794 8.511 271 H LYS 38 H LYS 38 -12.236 -5.201 5.939 272 HA LYS 38 HA LYS 38 -13.527 -2.862 4.735 273 HB2 LYS 38 HB2 LYS 38 -11.196 -2.993 6.699 274 HB3 LYS 38 HB3 LYS 38 -12.179 -1.591 6.285 275 HG2 LYS 38 HG2 LYS 38 -14.148 -2.550 7.347 276 HG3 LYS 38 HG3 LYS 38 -13.284 -4.071 7.667 277 HD2 LYS 38 HD2 LYS 38 -11.657 -2.890 9.074 278 HD3 LYS 38 HD3 LYS 38 -12.496 -1.362 8.784 279 HE2 LYS 38 HE2 LYS 38 -14.519 -2.200 9.876 280 HE3 LYS 38 HE3 LYS 38 -13.779 -3.791 10.071 281 HZ1 LYS 38 HZ1 LYS 38 -13.665 -2.566 12.084 282 HZ2 LYS 38 HZ2 LYS 38 -12.882 -1.301 11.425 283 HZ3 LYS 38 HZ3 LYS 38 -12.108 -2.733 11.509 284 H MET 39 H MET 39 -10.239 -4.279 4.854 285 HA MET 39 HA MET 39 -8.953 -2.437 3.156 286 HB2 MET 39 HB2 MET 39 -8.390 -5.358 3.790 287 HB3 MET 39 HB3 MET 39 -7.365 -4.401 2.714 288 HG2 MET 39 HG2 MET 39 -7.926 -3.796 5.634 289 HG3 MET 39 HG3 MET 39 -6.474 -4.524 4.970 290 HE1 MET 39 HE1 MET 39 -4.485 -2.929 5.440 291 HE2 MET 39 HE2 MET 39 -4.794 -1.234 5.848 292 HE3 MET 39 HE3 MET 39 -5.662 -2.517 6.719 293 H LYS 40 H LYS 40 -11.010 -5.208 2.349 294 HA LYS 40 HA LYS 40 -10.389 -5.465 -0.398 295 HB2 LYS 40 HB2 LYS 40 -12.732 -6.086 1.355 296 HB3 LYS 40 HB3 LYS 40 -13.126 -5.849 -0.348 297 HG2 LYS 40 HG2 LYS 40 -12.768 -8.170 -0.067 298 HG3 LYS 40 HG3 LYS 40 -11.383 -7.534 -0.964 299 HD2 LYS 40 HD2 LYS 40 -10.054 -7.515 1.130 300 HD3 LYS 40 HD3 LYS 40 -11.449 -8.150 2.012 301 HE2 LYS 40 HE2 LYS 40 -10.513 -9.723 -0.377 302 HE3 LYS 40 HE3 LYS 40 -9.473 -9.689 1.046 303 HZ1 LYS 40 HZ1 LYS 40 -12.319 -10.529 1.160 304 HZ2 LYS 40 HZ2 LYS 40 -11.207 -10.487 2.390 305 HZ3 LYS 40 HZ3 LYS 40 -10.987 -11.512 1.186 306 H ARG 41 H ARG 41 -12.390 -2.972 1.235 307 HA ARG 41 HA ARG 41 -13.469 -1.861 -1.154 308 HB2 ARG 41 HB2 ARG 41 -14.030 -1.437 1.415 309 HB3 ARG 41 HB3 ARG 41 -12.758 -0.222 1.319 310 HG2 ARG 41 HG2 ARG 41 -14.778 0.928 0.917 311 HG3 ARG 41 HG3 ARG 41 -14.056 0.785 -0.684 312 HD2 ARG 41 HD2 ARG 41 -15.534 -1.073 -1.239 313 HD3 ARG 41 HD3 ARG 41 -16.078 -1.192 0.448 314 HE ARG 41 HE ARG 41 -16.640 1.418 -0.532 315 HH11 ARG 41 HH11 ARG 41 -17.694 -1.970 -0.870 316 HH12 ARG 41 HH12 ARG 41 -19.312 -1.567 -1.343 317 HH21 ARG 41 HH21 ARG 41 -18.805 1.944 -0.995 318 HH22 ARG 41 HH22 ARG 41 -20.028 0.757 -1.231 319 H VAL 42 H VAL 42 -10.377 -1.413 0.516 320 HA VAL 42 HA VAL 42 -9.524 0.923 -0.921 321 HB VAL 42 HB VAL 42 -7.792 -1.144 0.505 322 HG11 VAL 42 HG11 VAL 42 -6.306 0.764 0.913 323 HG12 VAL 42 HG12 VAL 42 -6.554 0.518 -0.821 324 HG13 VAL 42 HG13 VAL 42 -7.403 1.836 0.025 325 HG21 VAL 42 HG21 VAL 42 -9.600 -0.433 2.085 326 HG22 VAL 42 HG22 VAL 42 -8.031 0.194 2.550 327 HG23 VAL 42 HG23 VAL 42 -9.195 1.265 1.752 328 H VAL 43 H VAL 43 -8.860 -2.624 -1.155 329 HA VAL 43 HA VAL 43 -7.285 -2.606 -3.462 330 HB VAL 43 HB VAL 43 -9.274 -4.701 -2.475 331 HG11 VAL 43 HG11 VAL 43 -7.051 -4.961 -4.533 332 HG12 VAL 43 HG12 VAL 43 -7.886 -6.328 -3.765 333 HG13 VAL 43 HG13 VAL 43 -8.788 -5.213 -4.797 334 HG21 VAL 43 HG21 VAL 43 -7.527 -4.181 -0.818 335 HG22 VAL 43 HG22 VAL 43 -7.235 -5.768 -1.531 336 HG23 VAL 43 HG23 VAL 43 -6.281 -4.365 -2.055 337 H GLN 44 H GLN 44 -10.884 -2.752 -3.243 338 HA GLN 44 HA GLN 44 -11.307 -2.921 -6.023 339 HB2 GLN 44 HB2 GLN 44 -13.013 -1.818 -3.764 340 HB3 GLN 44 HB3 GLN 44 -13.611 -1.970 -5.421 341 HG2 GLN 44 HG2 GLN 44 -13.350 -4.351 -5.434 342 HG3 GLN 44 HG3 GLN 44 -12.547 -4.357 -3.867 343 HE21 GLN 44 HE21 GLN 44 -14.826 -5.914 -4.266 344 HE22 GLN 44 HE22 GLN 44 -16.076 -5.253 -3.258 345 H HIS 45 H HIS 45 -10.551 0.021 -4.123 346 HA HIS 45 HA HIS 45 -11.534 1.822 -6.192 347 HB2 HIS 45 HB2 HIS 45 -11.414 2.678 -3.985 348 HB3 HIS 45 HB3 HIS 45 -9.794 2.062 -3.736 349 HD1 HIS 45 HD1 HIS 45 -11.556 5.185 -4.820 350 HD2 HIS 45 HD2 HIS 45 -7.700 3.462 -4.991 351 HE1 HIS 45 HE1 HIS 45 -9.893 7.062 -5.311 352 H THR 46 H THR 46 -8.201 0.778 -5.128 353 HA THR 46 HA THR 46 -6.935 1.959 -7.360 354 HB THR 46 HB THR 46 -5.830 1.431 -5.262 355 HG1 THR 46 HG1 THR 46 -4.593 1.835 -6.897 356 HG21 THR 46 HG21 THR 46 -6.702 -0.726 -4.675 357 HG22 THR 46 HG22 THR 46 -4.959 -0.903 -4.913 358 HG23 THR 46 HG23 THR 46 -6.111 -1.461 -6.156 359 H LYS 47 H LYS 47 -8.614 -1.130 -7.110 360 HA LYS 47 HA LYS 47 -7.537 -2.527 -9.307 361 HB2 LYS 47 HB2 LYS 47 -9.209 -3.495 -7.759 362 HB3 LYS 47 HB3 LYS 47 -10.400 -2.321 -8.300 363 HG2 LYS 47 HG2 LYS 47 -10.143 -3.426 -10.660 364 HG3 LYS 47 HG3 LYS 47 -9.309 -4.696 -9.786 365 HD2 LYS 47 HD2 LYS 47 -11.574 -5.396 -9.998 366 HD3 LYS 47 HD3 LYS 47 -11.357 -4.914 -8.323 367 HE2 LYS 47 HE2 LYS 47 -13.460 -4.038 -9.030 368 HE3 LYS 47 HE3 LYS 47 -12.373 -2.655 -8.912 369 HZ1 LYS 47 HZ1 LYS 47 -12.192 -2.690 -11.351 370 HZ2 LYS 47 HZ2 LYS 47 -13.759 -2.643 -10.891 371 HZ3 LYS 47 HZ3 LYS 47 -13.143 -4.034 -11.423 372 H GLY 48 H GLY 48 -10.087 -0.011 -9.224 373 HA2 GLY 48 HA2 GLY 48 -10.357 -0.054 -12.174 374 HA3 GLY 48 HA3 GLY 48 -11.300 0.878 -11.004 375 H CYS 49 H CYS 49 -8.768 1.873 -9.680 376 HA CYS 49 HA CYS 49 -8.633 4.281 -11.198 377 HB2 CYS 49 HB2 CYS 49 -8.379 3.823 -8.603 378 HB3 CYS 49 HB3 CYS 49 -6.674 3.544 -9.036 379 H LYS 50 H LYS 50 -7.495 4.623 -12.922 380 HA LYS 50 HA LYS 50 -4.779 3.448 -13.214 381 HB2 LYS 50 HB2 LYS 50 -6.826 4.019 -15.412 382 HB3 LYS 50 HB3 LYS 50 -5.170 3.502 -15.673 383 HG2 LYS 50 HG2 LYS 50 -7.307 1.879 -14.238 384 HG3 LYS 50 HG3 LYS 50 -6.743 1.640 -15.895 385 HD2 LYS 50 HD2 LYS 50 -4.444 1.196 -15.058 386 HD3 LYS 50 HD3 LYS 50 -5.011 1.322 -13.388 387 HE2 LYS 50 HE2 LYS 50 -5.922 -0.695 -15.451 388 HE3 LYS 50 HE3 LYS 50 -4.821 -1.008 -14.107 389 HZ1 LYS 50 HZ1 LYS 50 -7.014 -1.744 -13.572 390 HZ2 LYS 50 HZ2 LYS 50 -7.674 -0.277 -13.865 391 HZ3 LYS 50 HZ3 LYS 50 -6.659 -0.500 -12.587 392 H ARG 51 H ARG 51 -6.498 6.182 -12.546 393 HA ARG 51 HA ARG 51 -5.218 8.220 -13.981 394 HB2 ARG 51 HB2 ARG 51 -6.140 8.500 -11.106 395 HB3 ARG 51 HB3 ARG 51 -6.120 9.714 -12.403 396 HG2 ARG 51 HG2 ARG 51 -7.984 8.466 -13.527 397 HG3 ARG 51 HG3 ARG 51 -8.005 7.350 -12.142 398 HD2 ARG 51 HD2 ARG 51 -9.711 8.852 -11.649 399 HD3 ARG 51 HD3 ARG 51 -8.370 9.394 -10.638 400 HE ARG 51 HE ARG 51 -8.152 11.335 -11.902 401 HH11 ARG 51 HH11 ARG 51 -10.583 9.295 -13.564 402 HH12 ARG 51 HH12 ARG 51 -11.139 10.601 -14.538 403 HH21 ARG 51 HH21 ARG 51 -8.906 12.949 -13.067 404 HH22 ARG 51 HH22 ARG 51 -10.287 12.824 -14.150 405 H LYS 52 H LYS 52 -3.972 6.238 -11.483 406 HA LYS 52 HA LYS 52 -2.151 7.886 -10.138 407 HB2 LYS 52 HB2 LYS 52 -0.977 5.818 -9.533 408 HB3 LYS 52 HB3 LYS 52 -2.726 5.627 -9.399 409 HG2 LYS 52 HG2 LYS 52 -2.810 4.392 -11.523 410 HG3 LYS 52 HG3 LYS 52 -1.080 4.628 -11.784 411 HD2 LYS 52 HD2 LYS 52 -2.224 3.137 -9.400 412 HD3 LYS 52 HD3 LYS 52 -1.786 2.359 -10.924 413 HE2 LYS 52 HE2 LYS 52 0.543 3.242 -10.693 414 HE3 LYS 52 HE3 LYS 52 0.113 3.905 -9.115 415 HZ1 LYS 52 HZ1 LYS 52 0.073 1.014 -9.815 416 HZ2 LYS 52 HZ2 LYS 52 -0.259 1.638 -8.337 417 HZ3 LYS 52 HZ3 LYS 52 1.246 1.772 -8.973 418 H THR 53 H THR 53 -1.947 6.889 -13.483 419 HA THR 53 HA THR 53 0.928 6.905 -13.723 420 HB THR 53 HB THR 53 0.211 7.035 -16.190 421 HG1 THR 53 HG1 THR 53 -1.899 7.039 -16.635 422 HG21 THR 53 HG21 THR 53 -1.159 4.805 -14.622 423 HG22 THR 53 HG22 THR 53 0.583 4.860 -14.928 424 HG23 THR 53 HG23 THR 53 -0.535 4.764 -16.288 425 H ASN 54 H ASN 54 -1.665 9.308 -14.055 426 HA ASN 54 HA ASN 54 0.246 11.343 -15.077 427 HB2 ASN 54 HB2 ASN 54 -1.798 11.056 -16.378 428 HB3 ASN 54 HB3 ASN 54 -2.793 11.305 -14.929 429 HD21 ASN 54 HD21 ASN 54 -3.893 13.189 -15.850 430 HD22 ASN 54 HD22 ASN 54 -3.000 14.647 -16.154 431 H GLY 55 H GLY 55 -2.242 10.927 -12.484 432 HA2 GLY 55 HA2 GLY 55 -0.886 11.983 -10.372 433 HA3 GLY 55 HA3 GLY 55 -1.313 13.439 -11.255 434 H GLY 56 H GLY 56 -3.614 10.753 -11.270 435 HA2 GLY 56 HA2 GLY 56 -5.603 12.455 -10.159 436 HA3 GLY 56 HA3 GLY 56 -5.832 10.799 -10.638 437 H CYS 57 H CYS 57 -6.023 9.250 -9.035 438 HA CYS 57 HA CYS 57 -6.709 10.059 -6.513 439 HB2 CYS 57 HB2 CYS 57 -5.898 7.421 -7.702 440 HB3 CYS 57 HB3 CYS 57 -6.294 7.533 -5.972 441 HA PRO 58 HA PRO 58 -2.677 10.480 -4.562 442 HB2 PRO 58 HB2 PRO 58 -3.515 11.121 -2.023 443 HB3 PRO 58 HB3 PRO 58 -3.522 12.278 -3.371 444 HG2 PRO 58 HG2 PRO 58 -5.846 10.576 -2.415 445 HG3 PRO 58 HG3 PRO 58 -5.822 12.340 -2.695 446 HD2 PRO 58 HD2 PRO 58 -6.745 10.706 -4.610 447 HD3 PRO 58 HD3 PRO 58 -5.661 12.022 -5.085 448 H ILE 59 H ILE 59 -5.393 8.523 -3.098 449 HA ILE 59 HA ILE 59 -3.847 6.917 -1.458 450 HB ILE 59 HB ILE 59 -6.366 6.239 -3.050 451 HG12 ILE 59 HG12 ILE 59 -6.037 6.943 -0.089 452 HG13 ILE 59 HG13 ILE 59 -6.411 8.143 -1.328 453 HG21 ILE 59 HG21 ILE 59 -5.278 4.122 -2.419 454 HG22 ILE 59 HG22 ILE 59 -5.073 4.705 -0.739 455 HG23 ILE 59 HG23 ILE 59 -6.677 4.372 -1.406 456 HD11 ILE 59 HD11 ILE 59 -8.438 7.455 -0.208 457 HD12 ILE 59 HD12 ILE 59 -8.483 6.979 -1.926 458 HD13 ILE 59 HD13 ILE 59 -8.173 5.772 -0.671 459 H CYS 60 H CYS 60 -4.708 6.229 -4.900 460 HA CYS 60 HA CYS 60 -3.194 3.889 -5.171 461 HB2 CYS 60 HB2 CYS 60 -3.855 6.008 -7.264 462 HB3 CYS 60 HB3 CYS 60 -3.407 4.330 -7.589 463 H LYS 61 H LYS 61 -2.158 7.269 -5.421 464 HA LYS 61 HA LYS 61 0.457 6.626 -6.600 465 HB2 LYS 61 HB2 LYS 61 -0.678 9.161 -5.340 466 HB3 LYS 61 HB3 LYS 61 0.986 9.010 -5.918 467 HG2 LYS 61 HG2 LYS 61 0.198 8.488 -8.199 468 HG3 LYS 61 HG3 LYS 61 -1.481 8.572 -7.653 469 HD2 LYS 61 HD2 LYS 61 -0.980 10.631 -8.721 470 HD3 LYS 61 HD3 LYS 61 -1.109 10.960 -6.982 471 HE2 LYS 61 HE2 LYS 61 1.298 11.051 -6.751 472 HE3 LYS 61 HE3 LYS 61 1.559 10.466 -8.395 473 HZ1 LYS 61 HZ1 LYS 61 0.222 13.049 -7.865 474 HZ2 LYS 61 HZ2 LYS 61 0.916 12.529 -9.270 475 HZ3 LYS 61 HZ3 LYS 61 1.869 12.882 -8.047 476 H GLN 62 H GLN 62 -0.776 7.405 -3.333 477 HA GLN 62 HA GLN 62 1.783 7.256 -2.022 478 HB2 GLN 62 HB2 GLN 62 -1.071 7.274 -0.992 479 HB3 GLN 62 HB3 GLN 62 0.354 7.224 0.057 480 HG2 GLN 62 HG2 GLN 62 1.214 9.315 -1.007 481 HG3 GLN 62 HG3 GLN 62 -0.254 9.420 -1.977 482 HE21 GLN 62 HE21 GLN 62 1.150 9.976 1.202 483 HE22 GLN 62 HE22 GLN 62 -0.328 10.657 1.890 484 H LEU 63 H LEU 63 -0.566 4.782 -2.894 485 HA LEU 63 HA LEU 63 0.229 2.830 -1.006 486 HB2 LEU 63 HB2 LEU 63 -1.823 2.858 -2.498 487 HB3 LEU 63 HB3 LEU 63 -0.810 2.373 -3.842 488 HG LEU 63 HG LEU 63 -0.381 0.214 -2.819 489 HD11 LEU 63 HD11 LEU 63 -1.771 1.391 -0.367 490 HD12 LEU 63 HD12 LEU 63 -0.141 0.683 -0.474 491 HD13 LEU 63 HD13 LEU 63 -1.563 -0.350 -0.611 492 HD21 LEU 63 HD21 LEU 63 -2.638 -0.697 -2.752 493 HD22 LEU 63 HD22 LEU 63 -2.593 0.579 -3.970 494 HD23 LEU 63 HD23 LEU 63 -3.328 0.910 -2.398 495 H ILE 64 H ILE 64 1.724 3.910 -3.909 496 HA ILE 64 HA ILE 64 3.377 1.739 -4.639 497 HB ILE 64 HB ILE 64 3.843 4.723 -5.043 498 HG12 ILE 64 HG12 ILE 64 2.309 2.716 -6.757 499 HG13 ILE 64 HG13 ILE 64 1.595 4.013 -5.817 500 HG21 ILE 64 HG21 ILE 64 5.150 4.107 -7.003 501 HG22 ILE 64 HG22 ILE 64 5.831 3.372 -5.575 502 HG23 ILE 64 HG23 ILE 64 4.869 2.373 -6.684 503 HD11 ILE 64 HD11 ILE 64 3.284 4.349 -8.297 504 HD12 ILE 64 HD12 ILE 64 1.579 4.757 -8.038 505 HD13 ILE 64 HD13 ILE 64 2.833 5.684 -7.207 506 H ALA 65 H ALA 65 3.868 4.286 -2.176 507 HA ALA 65 HA ALA 65 6.603 3.960 -1.711 508 HB1 ALA 65 HB1 ALA 65 4.366 4.603 0.276 509 HB2 ALA 65 HB2 ALA 65 6.101 4.877 0.546 510 HB3 ALA 65 HB3 ALA 65 5.249 5.766 -0.725 511 H LEU 66 H LEU 66 3.769 2.216 -0.494 512 HA LEU 66 HA LEU 66 5.202 0.531 1.423 513 HB2 LEU 66 HB2 LEU 66 2.390 0.189 0.333 514 HB3 LEU 66 HB3 LEU 66 3.040 -0.490 1.821 515 HG LEU 66 HG LEU 66 2.607 2.466 1.248 516 HD11 LEU 66 HD11 LEU 66 0.984 1.180 3.357 517 HD12 LEU 66 HD12 LEU 66 0.649 0.611 1.727 518 HD13 LEU 66 HD13 LEU 66 0.554 2.329 2.044 519 HD21 LEU 66 HD21 LEU 66 4.501 1.807 2.956 520 HD22 LEU 66 HD22 LEU 66 3.147 1.338 4.003 521 HD23 LEU 66 HD23 LEU 66 3.321 3.003 3.396 522 H ALA 67 H ALA 67 3.945 0.273 -1.889 523 HA ALA 67 HA ALA 67 4.306 -2.516 -2.197 524 HB1 ALA 67 HB1 ALA 67 3.072 -1.057 -3.782 525 HB2 ALA 67 HB2 ALA 67 4.611 -0.344 -4.308 526 HB3 ALA 67 HB3 ALA 67 4.305 -2.072 -4.582 527 H ALA 68 H ALA 68 6.544 0.216 -2.884 528 HA ALA 68 HA ALA 68 8.781 -1.401 -3.660 529 HB1 ALA 68 HB1 ALA 68 10.102 0.636 -3.266 530 HB2 ALA 68 HB2 ALA 68 8.619 1.022 -4.153 531 HB3 ALA 68 HB3 ALA 68 8.741 1.393 -2.414 532 H TYR 69 H TYR 69 7.841 -0.042 -0.470 533 HA TYR 69 HA TYR 69 10.090 -0.897 0.980 534 HB2 TYR 69 HB2 TYR 69 8.539 0.646 1.957 535 HB3 TYR 69 HB3 TYR 69 7.188 -0.463 1.760 536 HD1 TYR 69 HD1 TYR 69 10.025 0.443 3.903 537 HD2 TYR 69 HD2 TYR 69 7.000 -2.498 3.120 538 HE1 TYR 69 HE1 TYR 69 10.485 -0.570 6.073 539 HE2 TYR 69 HE2 TYR 69 7.425 -3.566 5.294 540 HH TYR 69 HH TYR 69 10.388 -2.664 7.110 541 H HIS 70 H HIS 70 7.137 -2.721 0.026 542 HA HIS 70 HA HIS 70 8.038 -5.035 1.582 543 HB2 HIS 70 HB2 HIS 70 5.802 -4.944 1.713 544 HB3 HIS 70 HB3 HIS 70 5.594 -4.259 0.108 545 HD1 HIS 70 HD1 HIS 70 5.294 -7.603 1.817 546 HD2 HIS 70 HD2 HIS 70 5.843 -5.937 -2.015 547 HE1 HIS 70 HE1 HIS 70 4.379 -9.288 0.142 548 H ALA 71 H ALA 71 8.105 -3.968 -1.851 549 HA ALA 71 HA ALA 71 8.740 -6.463 -2.966 550 HB1 ALA 71 HB1 ALA 71 9.641 -5.183 -4.858 551 HB2 ALA 71 HB2 ALA 71 8.132 -4.436 -4.291 552 HB3 ALA 71 HB3 ALA 71 9.716 -3.721 -3.863 553 H LYS 72 H LYS 72 10.830 -4.409 -1.021 554 HA LYS 72 HA LYS 72 13.243 -5.703 -2.105 555 HB2 LYS 72 HB2 LYS 72 14.508 -4.432 -0.551 556 HB3 LYS 72 HB3 LYS 72 13.291 -3.333 -1.234 557 HG2 LYS 72 HG2 LYS 72 11.933 -3.685 0.850 558 HG3 LYS 72 HG3 LYS 72 13.202 -4.739 1.476 559 HD2 LYS 72 HD2 LYS 72 13.669 -2.801 2.552 560 HD3 LYS 72 HD3 LYS 72 14.794 -2.737 1.199 561 HE2 LYS 72 HE2 LYS 72 13.238 -1.224 -0.013 562 HE3 LYS 72 HE3 LYS 72 12.065 -1.379 1.307 563 HZ1 LYS 72 HZ1 LYS 72 13.320 0.644 1.645 564 HZ2 LYS 72 HZ2 LYS 72 14.751 -0.187 1.509 565 HZ3 LYS 72 HZ3 LYS 72 13.744 -0.438 2.788 566 H HIS 73 H HIS 73 10.777 -6.675 -0.065 567 HA HIS 73 HA HIS 73 12.404 -8.569 1.535 568 HB2 HIS 73 HB2 HIS 73 9.762 -7.207 2.224 569 HB3 HIS 73 HB3 HIS 73 10.617 -8.352 3.224 570 HD1 HIS 73 HD1 HIS 73 10.013 -4.866 3.313 571 HD2 HIS 73 HD2 HIS 73 13.519 -7.187 3.387 572 HE1 HIS 73 HE1 HIS 73 11.686 -3.542 4.663 573 H CYS 74 H CYS 74 10.274 -8.295 -1.062 574 HA CYS 74 HA CYS 74 9.129 -11.015 -0.740 575 HB2 CYS 74 HB2 CYS 74 7.529 -8.898 -0.338 576 HB3 CYS 74 HB3 CYS 74 7.678 -8.732 -2.078 577 H GLN 75 H GLN 75 10.430 -12.006 -2.198 578 HA GLN 75 HA GLN 75 10.458 -10.962 -4.958 579 HB2 GLN 75 HB2 GLN 75 13.003 -11.718 -3.448 580 HB3 GLN 75 HB3 GLN 75 12.886 -11.521 -5.197 581 HG2 GLN 75 HG2 GLN 75 12.087 -9.148 -4.811 582 HG3 GLN 75 HG3 GLN 75 12.444 -9.362 -3.093 583 HE21 GLN 75 HE21 GLN 75 13.690 -7.430 -5.063 584 HE22 GLN 75 HE22 GLN 75 15.389 -7.777 -4.902 585 H GLU 76 H GLU 76 8.988 -12.522 -5.387 586 HA GLU 76 HA GLU 76 9.897 -15.277 -5.406 587 HB2 GLU 76 HB2 GLU 76 7.694 -16.081 -4.592 588 HB3 GLU 76 HB3 GLU 76 8.808 -15.430 -3.396 589 HG2 GLU 76 HG2 GLU 76 7.465 -13.328 -3.307 590 HG3 GLU 76 HG3 GLU 76 6.320 -14.038 -4.453 591 H ASN 77 H ASN 77 8.558 -16.620 -6.849 592 HA ASN 77 HA ASN 77 8.215 -15.430 -9.404 593 HB2 ASN 77 HB2 ASN 77 7.140 -18.056 -8.263 594 HB3 ASN 77 HB3 ASN 77 6.804 -17.540 -9.910 595 HD21 ASN 77 HD21 ASN 77 8.234 -18.417 -11.496 596 HD22 ASN 77 HD22 ASN 77 9.830 -18.917 -11.040 597 H LYS 78 H LYS 78 5.857 -16.085 -6.827 598 HA LYS 78 HA LYS 78 3.779 -14.548 -8.370 599 HB2 LYS 78 HB2 LYS 78 3.514 -17.039 -6.703 600 HB3 LYS 78 HB3 LYS 78 2.161 -15.999 -7.150 601 HG2 LYS 78 HG2 LYS 78 2.879 -16.251 -9.583 602 HG3 LYS 78 HG3 LYS 78 3.972 -17.549 -9.046 603 HD2 LYS 78 HD2 LYS 78 2.084 -18.821 -8.157 604 HD3 LYS 78 HD3 LYS 78 1.021 -17.420 -8.396 605 HE2 LYS 78 HE2 LYS 78 0.529 -19.006 -10.125 606 HE3 LYS 78 HE3 LYS 78 1.268 -17.569 -10.830 607 HZ1 LYS 78 HZ1 LYS 78 2.171 -19.468 -11.824 608 HZ2 LYS 78 HZ2 LYS 78 2.552 -20.199 -10.405 609 HZ3 LYS 78 HZ3 LYS 78 3.371 -18.847 -10.916 610 H CYS 79 H CYS 79 5.083 -12.832 -7.165 611 HA CYS 79 HA CYS 79 4.965 -12.273 -4.484 612 HB2 CYS 79 HB2 CYS 79 5.347 -10.773 -6.937 613 HB3 CYS 79 HB3 CYS 79 4.270 -9.859 -5.910 614 HA PRO 80 HA PRO 80 0.498 -12.583 -3.982 615 HB2 PRO 80 HB2 PRO 80 0.217 -11.937 -1.320 616 HB3 PRO 80 HB3 PRO 80 0.827 -13.501 -1.933 617 HG2 PRO 80 HG2 PRO 80 2.443 -11.093 -1.029 618 HG3 PRO 80 HG3 PRO 80 2.651 -12.814 -0.554 619 HD2 PRO 80 HD2 PRO 80 4.159 -11.695 -2.515 620 HD3 PRO 80 HD3 PRO 80 3.572 -13.381 -2.669 621 H VAL 81 H VAL 81 2.060 -9.409 -3.655 622 HA VAL 81 HA VAL 81 -0.629 -8.196 -3.389 623 HB VAL 81 HB VAL 81 2.147 -7.086 -2.855 624 HG11 VAL 81 HG11 VAL 81 0.787 -5.290 -3.835 625 HG12 VAL 81 HG12 VAL 81 -0.475 -5.605 -2.613 626 HG13 VAL 81 HG13 VAL 81 1.143 -5.042 -2.134 627 HG21 VAL 81 HG21 VAL 81 -0.233 -7.874 -1.149 628 HG22 VAL 81 HG22 VAL 81 1.428 -8.529 -1.102 629 HG23 VAL 81 HG23 VAL 81 1.102 -6.879 -0.566 630 HA PRO 82 HA PRO 82 -0.518 -7.517 -7.743 631 HB2 PRO 82 HB2 PRO 82 -2.206 -5.333 -8.044 632 HB3 PRO 82 HB3 PRO 82 -2.733 -7.023 -7.779 633 HG2 PRO 82 HG2 PRO 82 -2.412 -4.806 -5.748 634 HG3 PRO 82 HG3 PRO 82 -3.766 -5.967 -5.938 635 HD2 PRO 82 HD2 PRO 82 -1.825 -6.332 -4.085 636 HD3 PRO 82 HD3 PRO 82 -2.509 -7.717 -4.970 637 H PHE 83 H PHE 83 0.263 -4.729 -5.627 638 HA PHE 83 HA PHE 83 1.464 -3.225 -7.832 639 HB2 PHE 83 HB2 PHE 83 1.407 -2.843 -4.818 640 HB3 PHE 83 HB3 PHE 83 2.475 -1.928 -5.877 641 HD1 PHE 83 HD1 PHE 83 -1.208 -2.780 -6.251 642 HD2 PHE 83 HD2 PHE 83 1.838 0.256 -5.874 643 HE1 PHE 83 HE1 PHE 83 -2.905 -1.035 -6.485 644 HE2 PHE 83 HE2 PHE 83 0.105 2.010 -6.098 645 HZ PHE 83 HZ PHE 83 -2.282 1.375 -6.446 646 H CYS 84 H CYS 84 2.718 -5.492 -5.255 647 HA CYS 84 HA CYS 84 5.449 -4.802 -5.823 648 HB2 CYS 84 HB2 CYS 84 6.034 -6.558 -4.362 649 HB3 CYS 84 HB3 CYS 84 4.664 -5.649 -3.679 650 H LEU 85 H LEU 85 3.199 -7.251 -6.912 651 HA LEU 85 HA LEU 85 4.923 -8.780 -8.519 652 HB2 LEU 85 HB2 LEU 85 2.538 -9.286 -7.915 653 HB3 LEU 85 HB3 LEU 85 2.010 -8.082 -9.098 654 HG LEU 85 HG LEU 85 3.310 -9.445 -10.842 655 HD11 LEU 85 HD11 LEU 85 3.587 -11.915 -10.237 656 HD12 LEU 85 HD12 LEU 85 3.268 -11.477 -8.563 657 HD13 LEU 85 HD13 LEU 85 4.712 -10.844 -9.374 658 HD21 LEU 85 HD21 LEU 85 0.877 -9.496 -10.751 659 HD22 LEU 85 HD22 LEU 85 0.926 -10.783 -9.525 660 HD23 LEU 85 HD23 LEU 85 1.519 -11.092 -11.164 661 H ASN 86 H ASN 86 3.490 -5.629 -9.079 662 HA ASN 86 HA ASN 86 4.203 -5.453 -11.921 663 HB2 ASN 86 HB2 ASN 86 3.520 -3.220 -9.947 664 HB3 ASN 86 HB3 ASN 86 3.857 -2.987 -11.646 665 HD21 ASN 86 HD21 ASN 86 2.415 -4.961 -12.920 666 HD22 ASN 86 HD22 ASN 86 0.700 -4.797 -12.571 667 H ILE 87 H ILE 87 5.600 -4.273 -8.803 668 HA ILE 87 HA ILE 87 7.840 -2.926 -9.875 669 HB ILE 87 HB ILE 87 7.369 -4.273 -7.191 670 HG12 ILE 87 HG12 ILE 87 7.601 -1.346 -7.997 671 HG13 ILE 87 HG13 ILE 87 6.079 -2.222 -7.952 672 HG21 ILE 87 HG21 ILE 87 9.403 -3.018 -6.364 673 HG22 ILE 87 HG22 ILE 87 9.778 -4.350 -7.437 674 HG23 ILE 87 HG23 ILE 87 9.823 -2.694 -8.054 675 HD11 ILE 87 HD11 ILE 87 7.858 -1.637 -5.585 676 HD12 ILE 87 HD12 ILE 87 6.263 -0.965 -5.940 677 HD13 ILE 87 HD13 ILE 87 6.422 -2.691 -5.536 678 H LYS 88 H LYS 88 7.482 -6.389 -9.040 679 HA LYS 88 HA LYS 88 10.098 -7.241 -9.442 680 HB2 LYS 88 HB2 LYS 88 8.061 -8.622 -8.741 681 HB3 LYS 88 HB3 LYS 88 7.602 -8.687 -10.446 682 HG2 LYS 88 HG2 LYS 88 10.041 -9.671 -10.783 683 HG3 LYS 88 HG3 LYS 88 9.966 -9.928 -9.041 684 HD2 LYS 88 HD2 LYS 88 7.605 -11.038 -9.687 685 HD3 LYS 88 HD3 LYS 88 8.351 -11.174 -11.279 686 HE2 LYS 88 HE2 LYS 88 9.253 -12.382 -8.636 687 HE3 LYS 88 HE3 LYS 88 8.648 -13.252 -10.044 688 HZ1 LYS 88 HZ1 LYS 88 11.259 -11.868 -9.777 689 HZ2 LYS 88 HZ2 LYS 88 10.744 -12.557 -11.181 690 HZ3 LYS 88 HZ3 LYS 88 11.001 -13.452 -9.822 691 H GLN 89 H GLN 89 7.592 -6.679 -11.836 692 HA GLN 89 HA GLN 89 9.173 -7.353 -14.177 693 HB2 GLN 89 HB2 GLN 89 6.380 -6.181 -13.830 694 HB3 GLN 89 HB3 GLN 89 7.075 -6.787 -15.335 695 HG2 GLN 89 HG2 GLN 89 7.256 -9.044 -14.422 696 HG3 GLN 89 HG3 GLN 89 6.658 -8.515 -12.854 697 HE21 GLN 89 HE21 GLN 89 4.454 -7.985 -12.582 698 HE22 GLN 89 HE22 GLN 89 3.248 -8.300 -13.848 699 H LYS 90 H LYS 90 9.531 -4.687 -12.327 700 HA LYS 90 HA LYS 90 9.952 -2.901 -14.670 701 HB2 LYS 90 HB2 LYS 90 9.049 -2.040 -11.889 702 HB3 LYS 90 HB3 LYS 90 9.572 -0.948 -13.171 703 HG2 LYS 90 HG2 LYS 90 7.126 -2.751 -13.273 704 HG3 LYS 90 HG3 LYS 90 7.132 -1.013 -12.995 705 HD2 LYS 90 HD2 LYS 90 8.019 -0.651 -15.279 706 HD3 LYS 90 HD3 LYS 90 8.051 -2.414 -15.535 707 HE2 LYS 90 HE2 LYS 90 5.592 -2.486 -15.044 708 HE3 LYS 90 HE3 LYS 90 5.591 -0.711 -15.050 709 HZ1 LYS 90 HZ1 LYS 90 6.439 -0.804 -17.316 710 HZ2 LYS 90 HZ2 LYS 90 4.984 -1.562 -17.184 711 HZ3 LYS 90 HZ3 LYS 90 6.377 -2.460 -17.296 712 H GLY 91 H GLY 91 10.988 -3.732 -11.358 713 HA2 GLY 91 HA2 GLY 91 12.967 -3.484 -10.299 714 HA3 GLY 91 HA3 GLY 91 13.626 -4.157 -11.794 715 H THR 92 H THR 92 12.809 -1.064 -10.177 716 HA THR 92 HA THR 92 14.307 0.519 -12.102 717 HB THR 92 HB THR 92 13.761 2.398 -10.491 718 HG1 THR 92 HG1 THR 92 12.000 0.487 -9.377 719 HG21 THR 92 HG21 THR 92 12.355 1.929 -12.467 720 HG22 THR 92 HG22 THR 92 11.377 2.459 -11.095 721 HG23 THR 92 HG23 THR 92 11.423 0.740 -11.553 722 H ILE 93 H ILE 93 15.845 -1.521 -10.998 723 HA ILE 93 HA ILE 93 17.817 -2.088 -10.120 724 HB ILE 93 HB ILE 93 18.507 0.726 -10.785 725 HG12 ILE 93 HG12 ILE 93 19.223 -0.880 -13.046 726 HG13 ILE 93 HG13 ILE 93 17.684 -1.527 -12.564 727 HG21 ILE 93 HG21 ILE 93 20.497 -0.187 -9.865 728 HG22 ILE 93 HG22 ILE 93 20.188 -1.790 -10.551 729 HG23 ILE 93 HG23 ILE 93 20.749 -0.443 -11.572 730 HD11 ILE 93 HD11 ILE 93 16.793 0.911 -12.670 731 HD12 ILE 93 HD12 ILE 93 18.360 1.319 -13.391 732 HD13 ILE 93 HD13 ILE 93 17.278 0.178 -14.196 733 H GLU 94 H GLU 94 16.012 -1.271 -8.353 734 HA GLU 94 HA GLU 94 15.529 -0.724 -6.121 735 HB2 GLU 94 HB2 GLU 94 18.143 -2.221 -5.983 736 HB3 GLU 94 HB3 GLU 94 17.232 -1.780 -4.538 737 HG2 GLU 94 HG2 GLU 94 16.281 -3.555 -6.803 738 HG3 GLU 94 HG3 GLU 94 16.793 -4.090 -5.205 739 H GLY 95 H GLY 95 15.491 1.519 -6.159 740 HA2 GLY 95 HA2 GLY 95 17.308 2.776 -4.321 741 HA3 GLY 95 HA3 GLY 95 17.722 3.248 -5.976 742 H ARG 96 H ARG 96 16.088 4.342 -7.270 743 HA ARG 96 HA ARG 96 14.471 6.151 -5.684 744 HB2 ARG 96 HB2 ARG 96 15.793 6.774 -7.780 745 HB3 ARG 96 HB3 ARG 96 14.517 5.980 -8.719 746 HG2 ARG 96 HG2 ARG 96 12.866 7.492 -7.369 747 HG3 ARG 96 HG3 ARG 96 14.305 8.377 -6.845 748 HD2 ARG 96 HD2 ARG 96 13.206 8.045 -9.650 749 HD3 ARG 96 HD3 ARG 96 13.336 9.532 -8.717 750 HE ARG 96 HE ARG 96 15.796 9.380 -8.900 751 HH11 ARG 96 HH11 ARG 96 14.011 7.324 -11.273 752 HH12 ARG 96 HH12 ARG 96 15.310 7.467 -12.419 753 HH21 ARG 96 HH21 ARG 96 17.531 9.118 -10.268 754 HH22 ARG 96 HH22 ARG 96 17.362 8.249 -11.760 755 H GLY 97 H GLY 97 13.314 4.439 -4.780 756 HA2 GLY 97 HA2 GLY 97 10.608 4.164 -5.755 757 HA3 GLY 97 HA3 GLY 97 11.502 2.626 -5.888 758 H ASN 98 H ASN 98 13.168 2.601 -3.795 759 HA ASN 98 HA ASN 98 11.524 2.036 -1.523 760 HB2 ASN 98 HB2 ASN 98 14.539 2.352 -1.785 761 HB3 ASN 98 HB3 ASN 98 13.706 1.644 -0.394 762 HD21 ASN 98 HD21 ASN 98 15.444 0.655 -2.978 763 HD22 ASN 98 HD22 ASN 98 14.521 -0.753 -3.509 764 H GLU 99 H GLU 99 13.518 4.812 -2.467 765 HA GLU 99 HA GLU 99 13.230 6.215 0.053 766 HB2 GLU 99 HB2 GLU 99 14.341 6.961 -2.690 767 HB3 GLU 99 HB3 GLU 99 14.309 8.035 -1.289 768 HG2 GLU 99 HG2 GLU 99 15.594 6.178 -0.027 769 HG3 GLU 99 HG3 GLU 99 15.889 5.471 -1.628 770 H PHE 100 H PHE 100 10.980 6.474 0.352 771 HA PHE 100 HA PHE 100 9.670 8.487 -1.429 772 HB2 PHE 100 HB2 PHE 100 8.855 6.029 -1.652 773 HB3 PHE 100 HB3 PHE 100 8.106 6.250 -0.070 774 HD1 PHE 100 HD1 PHE 100 7.649 6.410 -3.536 775 HD2 PHE 100 HD2 PHE 100 6.545 8.580 0.064 776 HE1 PHE 100 HE1 PHE 100 5.903 7.546 -4.762 777 HE2 PHE 100 HE2 PHE 100 4.905 9.854 -1.256 778 HZ PHE 100 HZ PHE 100 4.579 9.388 -3.665 779 H LEU 101 H LEU 101 8.614 10.154 -0.309 780 HA LEU 101 HA LEU 101 8.354 9.892 2.627 781 HB2 LEU 101 HB2 LEU 101 9.317 12.313 1.060 782 HB3 LEU 101 HB3 LEU 101 9.000 12.279 2.792 783 HG LEU 101 HG LEU 101 11.135 10.586 1.398 784 HD11 LEU 101 HD11 LEU 101 11.632 13.022 1.306 785 HD12 LEU 101 HD12 LEU 101 12.768 12.108 2.305 786 HD13 LEU 101 HD13 LEU 101 11.513 13.082 3.084 787 HD21 LEU 101 HD21 LEU 101 12.018 10.210 3.666 788 HD22 LEU 101 HD22 LEU 101 10.373 9.576 3.510 789 HD23 LEU 101 HD23 LEU 101 10.655 11.118 4.360 790 H SER 102 H SER 102 6.391 10.542 3.376 791 HA SER 102 HA SER 102 4.538 12.015 1.595 792 HB2 SER 102 HB2 SER 102 4.128 9.262 2.790 793 HB3 SER 102 HB3 SER 102 2.758 10.366 2.747 794 HG SER 102 HG SER 102 4.117 9.171 0.649 795 HA PRO 103 HA PRO 103 3.534 14.182 5.343 796 HB2 PRO 103 HB2 PRO 103 1.013 15.109 4.844 797 HB3 PRO 103 HB3 PRO 103 2.415 15.651 3.877 798 HG2 PRO 103 HG2 PRO 103 0.467 13.412 3.252 799 HG3 PRO 103 HG3 PRO 103 0.902 14.785 2.195 800 HD2 PRO 103 HD2 PRO 103 2.092 12.367 1.972 801 HD3 PRO 103 HD3 PRO 103 3.055 13.866 1.781 802 H GLU 104 H GLU 104 1.517 14.233 7.063 803 HA GLU 104 HA GLU 104 1.176 11.629 8.045 804 HB2 GLU 104 HB2 GLU 104 -0.751 13.892 8.621 805 HB3 GLU 104 HB3 GLU 104 -0.445 12.479 9.613 806 HG2 GLU 104 HG2 GLU 104 1.463 14.773 9.085 807 HG3 GLU 104 HG3 GLU 104 0.562 14.477 10.562 808 H VAL 105 H VAL 105 -0.531 13.097 5.427 809 HA VAL 105 HA VAL 105 -3.055 11.878 5.564 810 HB VAL 105 HB VAL 105 -1.421 12.348 3.037 811 HG11 VAL 105 HG11 VAL 105 -3.649 12.637 1.943 812 HG12 VAL 105 HG12 VAL 105 -3.376 10.996 2.527 813 HG13 VAL 105 HG13 VAL 105 -4.427 12.092 3.444 814 HG21 VAL 105 HG21 VAL 105 -2.620 14.535 2.934 815 HG22 VAL 105 HG22 VAL 105 -3.325 14.204 4.525 816 HG23 VAL 105 HG23 VAL 105 -1.574 14.440 4.357 817 H PHE 106 H PHE 106 0.135 10.464 4.875 818 HA PHE 106 HA PHE 106 -0.702 8.047 3.625 819 HB2 PHE 106 HB2 PHE 106 1.633 8.467 3.672 820 HB3 PHE 106 HB3 PHE 106 1.632 8.833 5.398 821 HD1 PHE 106 HD1 PHE 106 0.654 5.931 3.165 822 HD2 PHE 106 HD2 PHE 106 2.517 7.209 6.845 823 HE1 PHE 106 HE1 PHE 106 1.071 3.593 3.795 824 HE2 PHE 106 HE2 PHE 106 2.969 4.861 7.438 825 HZ PHE 106 HZ PHE 106 2.228 3.027 5.923 826 H GLN 107 H GLN 107 -0.583 9.034 7.081 827 HA GLN 107 HA GLN 107 -1.536 6.432 7.973 828 HB2 GLN 107 HB2 GLN 107 -1.195 9.050 9.473 829 HB3 GLN 107 HB3 GLN 107 -1.622 7.476 10.169 830 HG2 GLN 107 HG2 GLN 107 0.579 7.205 10.499 831 HG3 GLN 107 HG3 GLN 107 0.644 6.781 8.793 832 HE21 GLN 107 HE21 GLN 107 1.689 8.950 11.183 833 HE22 GLN 107 HE22 GLN 107 2.255 10.274 10.203 834 H HIS 108 H HIS 108 -3.029 9.450 6.907 835 HA HIS 108 HA HIS 108 -5.592 8.971 8.206 836 HB2 HIS 108 HB2 HIS 108 -4.884 10.641 5.760 837 HB3 HIS 108 HB3 HIS 108 -6.494 10.490 6.420 838 HD1 HIS 108 HD1 HIS 108 -7.048 12.676 7.551 839 HD2 HIS 108 HD2 HIS 108 -3.260 11.164 8.552 840 HE1 HIS 108 HE1 HIS 108 -6.037 14.333 9.191 841 H ILE 109 H ILE 109 -3.981 7.712 5.302 842 HA ILE 109 HA ILE 109 -6.258 6.767 3.956 843 HB ILE 109 HB ILE 109 -3.386 5.853 4.036 844 HG12 ILE 109 HG12 ILE 109 -4.996 7.239 1.853 845 HG13 ILE 109 HG13 ILE 109 -4.047 8.097 3.038 846 HG21 ILE 109 HG21 ILE 109 -4.626 3.872 3.453 847 HG22 ILE 109 HG22 ILE 109 -5.490 4.736 2.165 848 HG23 ILE 109 HG23 ILE 109 -3.733 4.463 2.071 849 HD11 ILE 109 HD11 ILE 109 -2.011 6.740 2.239 850 HD12 ILE 109 HD12 ILE 109 -3.033 6.299 0.848 851 HD13 ILE 109 HD13 ILE 109 -2.657 7.989 1.161 852 H TRP 110 H TRP 110 -4.532 5.497 6.825 853 HA TRP 110 HA TRP 110 -6.079 3.057 6.756 854 HB2 TRP 110 HB2 TRP 110 -4.260 4.024 8.972 855 HB3 TRP 110 HB3 TRP 110 -4.801 2.364 8.649 856 HD1 TRP 110 HD1 TRP 110 -1.833 4.276 8.263 857 HE1 TRP 110 HE1 TRP 110 -0.467 3.825 6.164 858 HE3 TRP 110 HE3 TRP 110 -5.193 1.358 5.714 859 HZ2 TRP 110 HZ2 TRP 110 -0.936 2.679 3.560 860 HZ3 TRP 110 HZ3 TRP 110 -4.738 0.666 3.400 861 HH2 TRP 110 HH2 TRP 110 -2.584 1.348 2.288 862 H ASP 111 H ASP 111 -6.839 6.172 7.765 863 HA ASP 111 HA ASP 111 -8.558 5.403 10.052 864 HB2 ASP 111 HB2 ASP 111 -7.477 7.559 10.207 865 HB3 ASP 111 HB3 ASP 111 -7.999 8.015 8.591 866 H PHE 112 H PHE 112 -8.924 6.747 6.741 867 HA PHE 112 HA PHE 112 -11.738 6.346 6.759 868 HB2 PHE 112 HB2 PHE 112 -11.846 7.185 4.663 869 HB3 PHE 112 HB3 PHE 112 -10.307 7.856 5.161 870 HD1 PHE 112 HD1 PHE 112 -11.978 5.181 3.153 871 HD2 PHE 112 HD2 PHE 112 -8.288 7.231 3.987 872 HE1 PHE 112 HE1 PHE 112 -10.802 3.794 1.430 873 HE2 PHE 112 HE2 PHE 112 -7.203 5.993 2.135 874 HZ PHE 112 HZ PHE 112 -8.416 4.181 0.956 875 H LEU 113 H LEU 113 -9.166 4.088 6.222 876 HA LEU 113 HA LEU 113 -10.373 2.199 4.565 877 HB2 LEU 113 HB2 LEU 113 -8.702 0.808 5.066 878 HB3 LEU 113 HB3 LEU 113 -8.021 2.227 5.816 879 HG LEU 113 HG LEU 113 -9.023 1.346 8.038 880 HD11 LEU 113 HD11 LEU 113 -9.112 -1.224 6.341 881 HD12 LEU 113 HD12 LEU 113 -10.474 -0.505 7.222 882 HD13 LEU 113 HD13 LEU 113 -9.150 -1.200 8.121 883 HD21 LEU 113 HD21 LEU 113 -6.797 -0.142 6.608 884 HD22 LEU 113 HD22 LEU 113 -7.115 -0.262 8.356 885 HD23 LEU 113 HD23 LEU 113 -6.644 1.269 7.666 886 H GLU 114 H GLU 114 -10.894 2.790 8.043 887 HA GLU 114 HA GLU 114 -12.801 0.618 8.243 888 HB2 GLU 114 HB2 GLU 114 -12.003 2.745 10.267 889 HB3 GLU 114 HB3 GLU 114 -13.039 1.344 10.540 890 HG2 GLU 114 HG2 GLU 114 -10.904 0.031 9.558 891 HG3 GLU 114 HG3 GLU 114 -10.056 1.466 10.121 892 H GLN 115 H GLN 115 -13.154 3.910 7.303 893 HA GLN 115 HA GLN 115 -16.114 3.614 7.597 894 HB2 GLN 115 HB2 GLN 115 -15.428 5.148 9.272 895 HB3 GLN 115 HB3 GLN 115 -14.461 6.081 8.131 896 HG2 GLN 115 HG2 GLN 115 -16.670 7.102 8.795 897 HG3 GLN 115 HG3 GLN 115 -16.378 6.991 7.076 898 HE21 GLN 115 HE21 GLN 115 -17.901 5.885 5.767 899 HE22 GLN 115 HE22 GLN 115 -19.297 5.105 6.420 900 HA PRO 116 HA PRO 116 -14.896 4.057 3.172 901 HB2 PRO 116 HB2 PRO 116 -16.726 2.311 2.108 902 HB3 PRO 116 HB3 PRO 116 -15.187 1.781 2.856 903 HG2 PRO 116 HG2 PRO 116 -17.918 1.815 4.101 904 HG3 PRO 116 HG3 PRO 116 -16.696 0.510 4.137 905 HD2 PRO 116 HD2 PRO 116 -17.007 2.302 6.185 906 HD3 PRO 116 HD3 PRO 116 -15.406 1.621 5.757 907 H ILE 117 H ILE 117 -15.802 5.604 1.806 908 HA ILE 117 HA ILE 117 -18.643 6.306 2.022 909 HB ILE 117 HB ILE 117 -16.298 8.233 2.450 910 HG12 ILE 117 HG12 ILE 117 -18.616 7.381 4.247 911 HG13 ILE 117 HG13 ILE 117 -16.895 7.101 4.516 912 HG21 ILE 117 HG21 ILE 117 -18.053 9.251 0.980 913 HG22 ILE 117 HG22 ILE 117 -19.252 8.883 2.240 914 HG23 ILE 117 HG23 ILE 117 -17.937 10.045 2.524 915 HD11 ILE 117 HD11 ILE 117 -18.364 9.739 4.745 916 HD12 ILE 117 HD12 ILE 117 -17.545 8.823 6.008 917 HD13 ILE 117 HD13 ILE 117 -16.590 9.607 4.732 918 H SER 118 H SER 118 -19.378 7.155 0.019 919 HA SER 118 HA SER 118 -17.679 6.553 -2.293 920 HB2 SER 118 HB2 SER 118 -20.117 5.880 -1.982 921 HB3 SER 118 HB3 SER 118 -20.535 7.566 -2.329 922 HG SER 118 HG SER 118 -20.526 6.291 -4.219 923 H SER 119 H SER 119 -16.450 8.493 -0.979 924 HA SER 119 HA SER 119 -16.568 10.800 -2.702 925 HB2 SER 119 HB2 SER 119 -18.136 11.302 -0.720 926 HB3 SER 119 HB3 SER 119 -16.674 11.312 0.289 927 HG SER 119 HG SER 119 -16.453 13.270 -0.369 928 H VAL 120 H VAL 120 -14.678 10.638 -3.353 929 HA VAL 120 HA VAL 120 -12.326 11.084 -2.767 930 HB VAL 120 HB VAL 120 -12.188 9.650 -0.906 931 HG11 VAL 120 HG11 VAL 120 -11.991 7.228 -0.965 932 HG12 VAL 120 HG12 VAL 120 -13.572 7.694 -1.606 933 HG13 VAL 120 HG13 VAL 120 -12.279 7.200 -2.712 934 HG21 VAL 120 HG21 VAL 120 -9.995 8.810 -1.215 935 HG22 VAL 120 HG22 VAL 120 -10.211 8.652 -2.970 936 HG23 VAL 120 HG23 VAL 120 -10.155 10.259 -2.207 937 H GLN 121 H GLN 121 -13.844 11.315 -4.874 938 HA GLN 121 HA GLN 121 -12.595 9.622 -6.950 939 HB2 GLN 121 HB2 GLN 121 -14.947 8.867 -6.596 940 HB3 GLN 121 HB3 GLN 121 -15.500 10.490 -7.048 941 HG2 GLN 121 HG2 GLN 121 -14.382 10.268 -9.252 942 HG3 GLN 121 HG3 GLN 121 -13.732 8.690 -8.782 943 HE21 GLN 121 HE21 GLN 121 -15.481 9.344 -11.126 944 HE22 GLN 121 HE22 GLN 121 -16.881 8.346 -10.926 945 HA PRO 122 HA PRO 122 -11.863 14.133 -7.334 946 HB2 PRO 122 HB2 PRO 122 -9.182 13.993 -7.936 947 HB3 PRO 122 HB3 PRO 122 -9.833 14.019 -6.289 948 HG2 PRO 122 HG2 PRO 122 -8.816 11.627 -7.806 949 HG3 PRO 122 HG3 PRO 122 -8.668 12.026 -6.076 950 HD2 PRO 122 HD2 PRO 122 -10.541 10.300 -7.207 951 HD3 PRO 122 HD3 PRO 122 -10.716 11.112 -5.623 952 H ILE 123 H ILE 123 -10.980 15.372 -9.338 953 HA ILE 123 HA ILE 123 -11.326 14.035 -11.842 954 HB ILE 123 HB ILE 123 -13.314 15.183 -11.647 955 HG12 ILE 123 HG12 ILE 123 -11.597 17.571 -12.369 956 HG13 ILE 123 HG13 ILE 123 -11.677 16.108 -13.331 957 HG21 ILE 123 HG21 ILE 123 -12.107 17.427 -9.993 958 HG22 ILE 123 HG22 ILE 123 -13.789 17.294 -10.496 959 HG23 ILE 123 HG23 ILE 123 -13.153 16.121 -9.365 960 HD11 ILE 123 HD11 ILE 123 -14.072 17.871 -12.667 961 HD12 ILE 123 HD12 ILE 123 -13.201 17.845 -14.210 962 HD13 ILE 123 HD13 ILE 123 -14.094 16.412 -13.681 963 H ASP 124 H ASP 124 -9.883 15.175 -13.433 964 HA ASP 124 HA ASP 124 -7.599 16.675 -12.295 965 HB2 ASP 124 HB2 ASP 124 -7.471 14.268 -14.168 966 HB3 ASP 124 HB3 ASP 124 -6.130 15.329 -13.793 Start of MODEL 14 1 H1 ALA 1 H ALA 1 20.047 -3.109 18.399 2 HA ALA 1 HA ALA 1 22.865 -3.958 18.204 3 HB1 ALA 1 HB1 ALA 1 20.391 -5.471 17.346 4 HB2 ALA 1 HB2 ALA 1 22.071 -5.899 16.891 5 HB3 ALA 1 HB3 ALA 1 21.582 -5.919 18.583 6 H THR 2 H THR 2 21.059 -4.626 15.313 7 HA THR 2 HA THR 2 22.603 -3.113 13.650 8 HB THR 2 HB THR 2 19.770 -4.154 13.398 9 HG1 THR 2 HG1 THR 2 20.756 -5.835 12.538 10 HG21 THR 2 HG21 THR 2 21.476 -3.067 11.121 11 HG22 THR 2 HG22 THR 2 19.958 -2.362 11.702 12 HG23 THR 2 HG23 THR 2 19.944 -3.958 10.951 13 H GLN 3 H GLN 3 19.803 -1.844 15.388 14 HA GLN 3 HA GLN 3 18.787 0.152 15.419 15 HB2 GLN 3 HB2 GLN 3 20.923 0.324 16.732 16 HB3 GLN 3 HB3 GLN 3 21.636 1.177 15.365 17 HG2 GLN 3 HG2 GLN 3 19.724 2.870 15.588 18 HG3 GLN 3 HG3 GLN 3 19.270 2.049 17.088 19 HE21 GLN 3 HE21 GLN 3 21.176 4.536 15.816 20 HE22 GLN 3 HE22 GLN 3 22.524 4.559 16.946 21 H SER 4 H SER 4 18.094 -0.422 13.079 22 HA SER 4 HA SER 4 19.313 0.837 10.848 23 HB2 SER 4 HB2 SER 4 16.377 0.101 11.207 24 HB3 SER 4 HB3 SER 4 17.248 0.284 9.679 25 HG SER 4 HG SER 4 18.503 -1.478 10.196 26 HA PRO 5 HA PRO 5 17.904 5.000 11.753 27 HB2 PRO 5 HB2 PRO 5 18.129 6.162 9.237 28 HB3 PRO 5 HB3 PRO 5 19.486 5.911 10.372 29 HG2 PRO 5 HG2 PRO 5 18.658 4.205 8.021 30 HG3 PRO 5 HG3 PRO 5 20.311 4.692 8.520 31 HD2 PRO 5 HD2 PRO 5 19.292 2.237 9.103 32 HD3 PRO 5 HD3 PRO 5 20.342 3.092 10.267 33 H GLY 6 H GLY 6 16.472 2.968 9.311 34 HA2 GLY 6 HA2 GLY 6 13.958 4.564 9.248 35 HA3 GLY 6 HA3 GLY 6 14.473 3.381 8.045 36 H ASP 7 H ASP 7 14.868 2.597 11.532 37 HA ASP 7 HA ASP 7 13.477 0.160 11.295 38 HB2 ASP 7 HB2 ASP 7 13.730 -0.176 13.502 39 HB3 ASP 7 HB3 ASP 7 15.158 0.723 13.033 40 H SER 8 H SER 8 12.576 3.234 12.633 41 HA SER 8 HA SER 8 9.954 2.763 13.464 42 HB2 SER 8 HB2 SER 8 11.286 5.318 12.480 43 HB3 SER 8 HB3 SER 8 9.854 5.227 13.527 44 HG SER 8 HG SER 8 12.449 4.093 14.203 45 H ARG 9 H ARG 9 11.213 3.678 10.237 46 HA ARG 9 HA ARG 9 8.550 4.089 9.113 47 HB2 ARG 9 HB2 ARG 9 11.250 3.654 7.761 48 HB3 ARG 9 HB3 ARG 9 9.725 3.896 6.905 49 HG2 ARG 9 HG2 ARG 9 9.436 6.080 8.147 50 HG3 ARG 9 HG3 ARG 9 11.095 5.882 8.759 51 HD2 ARG 9 HD2 ARG 9 11.810 5.627 6.340 52 HD3 ARG 9 HD3 ARG 9 10.187 6.115 5.846 53 HE ARG 9 HE ARG 9 12.384 7.750 6.650 54 HH11 ARG 9 HH11 ARG 9 8.810 7.704 6.710 55 HH12 ARG 9 HH12 ARG 9 8.693 9.417 7.013 56 HH21 ARG 9 HH21 ARG 9 12.156 10.034 6.894 57 HH22 ARG 9 HH22 ARG 9 10.590 10.756 6.729 58 H ARG 10 H ARG 10 10.990 1.394 8.858 59 HA ARG 10 HA ARG 10 9.280 -0.289 7.436 60 HB2 ARG 10 HB2 ARG 10 10.622 -2.181 8.063 61 HB3 ARG 10 HB3 ARG 10 11.668 -0.809 7.713 62 HG2 ARG 10 HG2 ARG 10 12.275 -0.583 9.911 63 HG3 ARG 10 HG3 ARG 10 10.916 -1.533 10.540 64 HD2 ARG 10 HD2 ARG 10 11.882 -3.566 9.459 65 HD3 ARG 10 HD3 ARG 10 13.300 -2.610 8.998 66 HE ARG 10 HE ARG 10 14.076 -2.663 11.175 67 HH11 ARG 10 HH11 ARG 10 10.753 -3.994 11.348 68 HH12 ARG 10 HH12 ARG 10 10.670 -3.883 13.047 69 HH21 ARG 10 HH21 ARG 10 14.062 -2.728 13.320 70 HH22 ARG 10 HH22 ARG 10 12.642 -3.127 14.255 71 H LEU 11 H LEU 11 9.300 0.054 11.028 72 HA LEU 11 HA LEU 11 7.394 -2.132 11.235 73 HB2 LEU 11 HB2 LEU 11 7.296 -1.737 13.529 74 HB3 LEU 11 HB3 LEU 11 8.961 -1.605 13.012 75 HG LEU 11 HG LEU 11 8.399 1.019 13.004 76 HD11 LEU 11 HD11 LEU 11 6.927 1.600 14.930 77 HD12 LEU 11 HD12 LEU 11 6.463 -0.119 15.073 78 HD13 LEU 11 HD13 LEU 11 5.995 0.815 13.666 79 HD21 LEU 11 HD21 LEU 11 9.270 1.126 15.315 80 HD22 LEU 11 HD22 LEU 11 10.148 -0.060 14.338 81 HD23 LEU 11 HD23 LEU 11 8.936 -0.616 15.520 82 H SER 12 H SER 12 7.074 1.410 11.228 83 HA SER 12 HA SER 12 4.278 1.434 11.692 84 HB2 SER 12 HB2 SER 12 5.971 3.318 11.844 85 HB3 SER 12 HB3 SER 12 5.846 3.491 10.079 86 HG SER 12 HG SER 12 4.071 4.517 10.378 87 H ILE 13 H ILE 13 6.150 1.273 8.651 88 HA ILE 13 HA ILE 13 3.907 1.361 6.882 89 HB ILE 13 HB ILE 13 6.791 0.405 6.614 90 HG12 ILE 13 HG12 ILE 13 5.358 2.763 5.282 91 HG13 ILE 13 HG13 ILE 13 6.178 2.916 6.834 92 HG21 ILE 13 HG21 ILE 13 6.264 0.367 4.107 93 HG22 ILE 13 HG22 ILE 13 5.607 -0.952 5.066 94 HG23 ILE 13 HG23 ILE 13 4.547 0.379 4.579 95 HD11 ILE 13 HD11 ILE 13 7.491 2.207 4.183 96 HD12 ILE 13 HD12 ILE 13 7.688 3.679 5.139 97 HD13 ILE 13 HD13 ILE 13 8.316 2.138 5.754 98 H GLN 14 H GLN 14 5.830 -1.415 8.281 99 HA GLN 14 HA GLN 14 4.356 -3.451 7.060 100 HB2 GLN 14 HB2 GLN 14 5.937 -3.326 9.622 101 HB3 GLN 14 HB3 GLN 14 4.987 -4.764 9.235 102 HG2 GLN 14 HG2 GLN 14 6.073 -5.118 7.142 103 HG3 GLN 14 HG3 GLN 14 6.941 -3.586 7.259 104 HE21 GLN 14 HE21 GLN 14 8.427 -3.374 9.136 105 HE22 GLN 14 HE22 GLN 14 9.327 -4.858 9.641 106 H ARG 15 H ARG 15 3.495 -1.609 10.020 107 HA ARG 15 HA ARG 15 1.391 -3.142 10.880 108 HB2 ARG 15 HB2 ARG 15 2.327 -0.905 11.785 109 HB3 ARG 15 HB3 ARG 15 1.202 -0.107 10.676 110 HG2 ARG 15 HG2 ARG 15 -0.703 -1.294 11.812 111 HG3 ARG 15 HG3 ARG 15 0.481 -2.035 12.903 112 HD2 ARG 15 HD2 ARG 15 -0.355 -0.197 14.103 113 HD3 ARG 15 HD3 ARG 15 1.227 0.323 13.549 114 HE ARG 15 HE ARG 15 -1.455 1.166 12.575 115 HH11 ARG 15 HH11 ARG 15 2.039 1.965 12.718 116 HH12 ARG 15 HH12 ARG 15 1.774 3.517 11.967 117 HH21 ARG 15 HH21 ARG 15 -1.692 3.387 11.946 118 HH22 ARG 15 HH22 ARG 15 -0.272 4.320 11.689 119 H ALA 16 H ALA 16 1.266 -0.737 8.210 120 HA ALA 16 HA ALA 16 -1.521 -1.277 7.596 121 HB1 ALA 16 HB1 ALA 16 0.615 0.158 5.955 122 HB2 ALA 16 HB2 ALA 16 -1.138 0.140 5.654 123 HB3 ALA 16 HB3 ALA 16 -0.521 0.920 7.099 124 H ILE 17 H ILE 17 1.627 -2.094 6.054 125 HA ILE 17 HA ILE 17 0.600 -3.533 3.902 126 HB ILE 17 HB ILE 17 3.270 -3.767 5.276 127 HG12 ILE 17 HG12 ILE 17 2.126 -2.227 2.901 128 HG13 ILE 17 HG13 ILE 17 2.851 -1.583 4.372 129 HG21 ILE 17 HG21 ILE 17 4.146 -4.920 3.329 130 HG22 ILE 17 HG22 ILE 17 2.832 -5.864 3.992 131 HG23 ILE 17 HG23 ILE 17 2.551 -4.870 2.538 132 HD11 ILE 17 HD11 ILE 17 5.023 -2.703 3.574 133 HD12 ILE 17 HD12 ILE 17 4.203 -2.820 1.992 134 HD13 ILE 17 HD13 ILE 17 4.471 -1.240 2.725 135 H GLN 18 H GLN 18 1.138 -4.775 7.195 136 HA GLN 18 HA GLN 18 0.782 -7.518 6.674 137 HB2 GLN 18 HB2 GLN 18 0.189 -5.733 9.054 138 HB3 GLN 18 HB3 GLN 18 -0.041 -7.481 9.133 139 HG2 GLN 18 HG2 GLN 18 2.282 -7.921 8.841 140 HG3 GLN 18 HG3 GLN 18 2.638 -6.298 8.303 141 HE21 GLN 18 HE21 GLN 18 1.651 -8.215 11.176 142 HE22 GLN 18 HE22 GLN 18 2.380 -7.120 12.338 143 H SER 19 H SER 19 -1.572 -4.892 6.912 144 HA SER 19 HA SER 19 -3.837 -6.729 6.826 145 HB2 SER 19 HB2 SER 19 -5.242 -4.769 7.001 146 HB3 SER 19 HB3 SER 19 -3.968 -4.710 8.213 147 HG SER 19 HG SER 19 -2.865 -3.301 6.506 148 H LEU 20 H LEU 20 -2.181 -4.522 4.628 149 HA LEU 20 HA LEU 20 -3.974 -4.683 2.441 150 HB2 LEU 20 HB2 LEU 20 -2.544 -2.879 2.346 151 HB3 LEU 20 HB3 LEU 20 -1.166 -3.809 2.894 152 HG LEU 20 HG LEU 20 -0.845 -4.795 0.662 153 HD11 LEU 20 HD11 LEU 20 -1.971 -3.718 -1.301 154 HD12 LEU 20 HD12 LEU 20 -3.118 -2.954 -0.189 155 HD13 LEU 20 HD13 LEU 20 -3.059 -4.730 -0.361 156 HD21 LEU 20 HD21 LEU 20 -1.016 -1.756 0.629 157 HD22 LEU 20 HD22 LEU 20 -0.002 -2.774 -0.396 158 HD23 LEU 20 HD23 LEU 20 0.316 -2.719 1.336 159 H VAL 21 H VAL 21 -0.889 -6.468 3.017 160 HA VAL 21 HA VAL 21 -0.954 -8.009 0.652 161 HB VAL 21 HB VAL 21 0.251 -8.584 3.394 162 HG11 VAL 21 HG11 VAL 21 1.742 -10.187 2.189 163 HG12 VAL 21 HG12 VAL 21 0.052 -10.718 2.210 164 HG13 VAL 21 HG13 VAL 21 0.733 -9.996 0.729 165 HG21 VAL 21 HG21 VAL 21 1.110 -6.561 2.098 166 HG22 VAL 21 HG22 VAL 21 2.322 -7.803 2.460 167 HG23 VAL 21 HG23 VAL 21 1.632 -7.684 0.832 168 H HIS 22 H HIS 22 -2.175 -8.823 3.955 169 HA HIS 22 HA HIS 22 -3.194 -11.329 3.343 170 HB2 HIS 22 HB2 HIS 22 -3.070 -10.519 5.620 171 HB3 HIS 22 HB3 HIS 22 -4.208 -9.207 5.270 172 HD1 HIS 22 HD1 HIS 22 -4.205 -13.081 5.271 173 HD2 HIS 22 HD2 HIS 22 -6.788 -9.743 5.339 174 HE1 HIS 22 HE1 HIS 22 -6.622 -13.977 5.498 175 H ALA 23 H ALA 23 -4.917 -8.147 3.101 176 HA ALA 23 HA ALA 23 -7.347 -9.281 2.152 177 HB1 ALA 23 HB1 ALA 23 -7.887 -6.955 1.496 178 HB2 ALA 23 HB2 ALA 23 -7.204 -7.059 3.135 179 HB3 ALA 23 HB3 ALA 23 -6.191 -6.495 1.787 180 H ALA 24 H ALA 24 -4.362 -8.529 0.419 181 HA ALA 24 HA ALA 24 -5.577 -8.419 -2.201 182 HB1 ALA 24 HB1 ALA 24 -3.280 -8.602 -3.035 183 HB2 ALA 24 HB2 ALA 24 -3.344 -7.433 -1.704 184 HB3 ALA 24 HB3 ALA 24 -2.687 -9.065 -1.436 185 H GLN 25 H GLN 25 -3.886 -10.973 -0.333 186 HA GLN 25 HA GLN 25 -4.547 -13.020 -2.332 187 HB2 GLN 25 HB2 GLN 25 -3.132 -14.474 -1.050 188 HB3 GLN 25 HB3 GLN 25 -2.327 -12.928 -1.294 189 HG2 GLN 25 HG2 GLN 25 -2.910 -12.259 1.034 190 HG3 GLN 25 HG3 GLN 25 -3.758 -13.778 1.257 191 HE21 GLN 25 HE21 GLN 25 -2.424 -14.598 2.976 192 HE22 GLN 25 HE22 GLN 25 -0.717 -14.860 2.761 193 H CYS 26 H CYS 26 -6.504 -11.666 -0.123 194 HA CYS 26 HA CYS 26 -7.582 -13.967 1.259 195 HB2 CYS 26 HB2 CYS 26 -7.651 -11.787 2.276 196 HB3 CYS 26 HB3 CYS 26 -8.525 -11.111 0.883 197 H ARG 27 H ARG 27 -8.026 -15.452 -0.295 198 HA ARG 27 HA ARG 27 -10.579 -15.101 -1.699 199 HB2 ARG 27 HB2 ARG 27 -9.624 -15.999 -3.844 200 HB3 ARG 27 HB3 ARG 27 -9.236 -14.335 -3.456 201 HG2 ARG 27 HG2 ARG 27 -6.960 -14.908 -2.786 202 HG3 ARG 27 HG3 ARG 27 -7.272 -16.639 -3.062 203 HD2 ARG 27 HD2 ARG 27 -7.747 -16.178 -5.412 204 HD3 ARG 27 HD3 ARG 27 -7.501 -14.437 -5.135 205 HE ARG 27 HE ARG 27 -5.109 -15.640 -4.353 206 HH11 ARG 27 HH11 ARG 27 -7.071 -15.507 -7.318 207 HH12 ARG 27 HH12 ARG 27 -5.691 -15.392 -8.369 208 HH21 ARG 27 HH21 ARG 27 -3.367 -15.815 -5.747 209 HH22 ARG 27 HH22 ARG 27 -3.567 -15.799 -7.473 210 H ASN 28 H ASN 28 -11.142 -16.502 0.071 211 HA ASN 28 HA ASN 28 -11.123 -19.293 -0.506 212 HB2 ASN 28 HB2 ASN 28 -8.737 -18.830 0.538 213 HB3 ASN 28 HB3 ASN 28 -9.605 -18.496 2.029 214 HD21 ASN 28 HD21 ASN 28 -8.229 -20.933 0.057 215 HD22 ASN 28 HD22 ASN 28 -8.993 -22.315 0.824 216 H ALA 29 H ALA 29 -12.789 -20.263 0.888 217 HA ALA 29 HA ALA 29 -14.550 -18.382 2.197 218 HB1 ALA 29 HB1 ALA 29 -14.488 -21.435 2.307 219 HB2 ALA 29 HB2 ALA 29 -15.835 -20.395 2.801 220 HB3 ALA 29 HB3 ALA 29 -15.357 -20.460 1.093 221 H ASN 30 H ASN 30 -11.812 -20.271 3.268 222 HA ASN 30 HA ASN 30 -12.514 -20.389 6.096 223 HB2 ASN 30 HB2 ASN 30 -11.006 -22.001 4.671 224 HB3 ASN 30 HB3 ASN 30 -9.761 -20.771 4.865 225 HD21 ASN 30 HD21 ASN 30 -12.046 -22.865 6.672 226 HD22 ASN 30 HD22 ASN 30 -10.927 -23.221 7.955 227 H CYS 31 H CYS 31 -11.257 -17.938 4.027 228 HA CYS 31 HA CYS 31 -9.442 -16.702 5.949 229 HB2 CYS 31 HB2 CYS 31 -9.216 -16.634 3.410 230 HB3 CYS 31 HB3 CYS 31 -10.646 -15.581 3.386 231 H SER 32 H SER 32 -10.306 -15.699 7.687 232 HA SER 32 HA SER 32 -12.528 -13.786 7.312 233 HB2 SER 32 HB2 SER 32 -12.448 -15.891 9.462 234 HB3 SER 32 HB3 SER 32 -13.595 -14.545 9.405 235 HG SER 32 HG SER 32 -14.017 -16.823 8.464 236 H LEU 33 H LEU 33 -11.183 -11.997 7.559 237 HA LEU 33 HA LEU 33 -9.799 -11.806 10.200 238 HB2 LEU 33 HB2 LEU 33 -8.621 -11.438 7.580 239 HB3 LEU 33 HB3 LEU 33 -8.629 -9.901 8.449 240 HG LEU 33 HG LEU 33 -7.592 -11.022 10.419 241 HD11 LEU 33 HD11 LEU 33 -6.395 -13.201 9.950 242 HD12 LEU 33 HD12 LEU 33 -7.330 -13.312 8.435 243 HD13 LEU 33 HD13 LEU 33 -8.156 -13.353 9.988 244 HD21 LEU 33 HD21 LEU 33 -5.896 -11.273 7.920 245 HD22 LEU 33 HD22 LEU 33 -5.345 -10.984 9.569 246 HD23 LEU 33 HD23 LEU 33 -6.260 -9.731 8.716 247 HA PRO 34 HA PRO 34 -12.774 -8.638 10.671 248 HB2 PRO 34 HB2 PRO 34 -11.708 -7.140 12.744 249 HB3 PRO 34 HB3 PRO 34 -12.573 -8.694 12.920 250 HG2 PRO 34 HG2 PRO 34 -9.578 -8.266 12.737 251 HG3 PRO 34 HG3 PRO 34 -10.491 -9.260 13.927 252 HD2 PRO 34 HD2 PRO 34 -9.350 -10.412 11.796 253 HD3 PRO 34 HD3 PRO 34 -11.003 -10.904 12.267 254 H SER 35 H SER 35 -9.385 -7.713 10.080 255 HA SER 35 HA SER 35 -10.200 -5.004 9.217 256 HB2 SER 35 HB2 SER 35 -7.502 -6.361 9.446 257 HB3 SER 35 HB3 SER 35 -7.746 -4.688 8.891 258 HG SER 35 HG SER 35 -7.356 -5.100 11.266 259 H CYS 36 H CYS 36 -9.462 -8.143 7.778 260 HA CYS 36 HA CYS 36 -8.731 -7.419 5.191 261 HB2 CYS 36 HB2 CYS 36 -8.755 -9.700 6.299 262 HB3 CYS 36 HB3 CYS 36 -10.490 -9.782 6.011 263 H GLN 37 H GLN 37 -12.005 -8.087 6.423 264 HA GLN 37 HA GLN 37 -13.431 -7.552 4.095 265 HB2 GLN 37 HB2 GLN 37 -15.405 -7.268 5.512 266 HB3 GLN 37 HB3 GLN 37 -14.383 -8.563 6.147 267 HG2 GLN 37 HG2 GLN 37 -13.371 -6.794 7.714 268 HG3 GLN 37 HG3 GLN 37 -14.691 -5.731 7.232 269 HE21 GLN 37 HE21 GLN 37 -13.874 -7.103 9.777 270 HE22 GLN 37 HE22 GLN 37 -15.294 -7.909 10.400 271 H LYS 38 H LYS 38 -12.247 -5.164 6.467 272 HA LYS 38 HA LYS 38 -13.567 -2.904 5.224 273 HB2 LYS 38 HB2 LYS 38 -11.137 -3.090 7.069 274 HB3 LYS 38 HB3 LYS 38 -11.947 -1.607 6.596 275 HG2 LYS 38 HG2 LYS 38 -13.888 -2.061 7.842 276 HG3 LYS 38 HG3 LYS 38 -13.468 -3.772 8.072 277 HD2 LYS 38 HD2 LYS 38 -11.654 -3.266 9.526 278 HD3 LYS 38 HD3 LYS 38 -11.696 -1.542 9.137 279 HE2 LYS 38 HE2 LYS 38 -13.774 -1.224 10.322 280 HE3 LYS 38 HE3 LYS 38 -14.004 -2.969 10.514 281 HZ1 LYS 38 HZ1 LYS 38 -11.742 -1.482 11.727 282 HZ2 LYS 38 HZ2 LYS 38 -12.152 -3.054 12.000 283 HZ3 LYS 38 HZ3 LYS 38 -13.111 -1.815 12.507 284 H MET 39 H MET 39 -10.215 -4.217 5.117 285 HA MET 39 HA MET 39 -9.126 -2.350 3.328 286 HB2 MET 39 HB2 MET 39 -8.451 -5.274 3.812 287 HB3 MET 39 HB3 MET 39 -7.504 -4.239 2.737 288 HG2 MET 39 HG2 MET 39 -7.962 -3.769 5.692 289 HG3 MET 39 HG3 MET 39 -6.493 -4.401 4.972 290 HE1 MET 39 HE1 MET 39 -4.569 -2.941 4.057 291 HE2 MET 39 HE2 MET 39 -5.602 -2.733 2.618 292 HE3 MET 39 HE3 MET 39 -4.807 -1.330 3.358 293 H LYS 40 H LYS 40 -11.139 -5.178 2.605 294 HA LYS 40 HA LYS 40 -10.667 -5.441 -0.159 295 HB2 LYS 40 HB2 LYS 40 -12.837 -6.098 1.753 296 HB3 LYS 40 HB3 LYS 40 -13.444 -5.754 0.138 297 HG2 LYS 40 HG2 LYS 40 -13.120 -8.000 0.028 298 HG3 LYS 40 HG3 LYS 40 -11.639 -7.417 -0.719 299 HD2 LYS 40 HD2 LYS 40 -10.384 -7.824 1.345 300 HD3 LYS 40 HD3 LYS 40 -11.868 -8.176 2.232 301 HE2 LYS 40 HE2 LYS 40 -10.927 -9.832 -0.154 302 HE3 LYS 40 HE3 LYS 40 -10.578 -10.200 1.536 303 HZ1 LYS 40 HZ1 LYS 40 -13.313 -10.040 0.395 304 HZ2 LYS 40 HZ2 LYS 40 -12.973 -10.232 1.966 305 HZ3 LYS 40 HZ3 LYS 40 -12.527 -11.395 0.891 306 H ARG 41 H ARG 41 -12.672 -3.032 1.559 307 HA ARG 41 HA ARG 41 -13.969 -1.962 -0.709 308 HB2 ARG 41 HB2 ARG 41 -14.351 -1.580 1.870 309 HB3 ARG 41 HB3 ARG 41 -13.092 -0.357 1.727 310 HG2 ARG 41 HG2 ARG 41 -15.107 0.827 1.489 311 HG3 ARG 41 HG3 ARG 41 -14.514 0.657 -0.171 312 HD2 ARG 41 HD2 ARG 41 -16.025 -1.304 -0.484 313 HD3 ARG 41 HD3 ARG 41 -16.659 -1.036 1.155 314 HE ARG 41 HE ARG 41 -16.823 1.422 -0.106 315 HH11 ARG 41 HH11 ARG 41 -18.003 -1.767 -1.075 316 HH12 ARG 41 HH12 ARG 41 -19.436 -1.201 -1.836 317 HH21 ARG 41 HH21 ARG 41 -18.662 2.238 -1.262 318 HH22 ARG 41 HH22 ARG 41 -19.821 1.166 -1.924 319 H VAL 42 H VAL 42 -10.815 -1.185 0.781 320 HA VAL 42 HA VAL 42 -10.196 0.928 -1.020 321 HB VAL 42 HB VAL 42 -8.158 -0.676 0.565 322 HG11 VAL 42 HG11 VAL 42 -7.146 1.591 0.807 323 HG12 VAL 42 HG12 VAL 42 -7.320 1.115 -0.903 324 HG13 VAL 42 HG13 VAL 42 -8.456 2.272 -0.168 325 HG21 VAL 42 HG21 VAL 42 -8.598 0.860 2.493 326 HG22 VAL 42 HG22 VAL 42 -10.074 1.423 1.684 327 HG23 VAL 42 HG23 VAL 42 -9.920 -0.266 2.218 328 H VAL 43 H VAL 43 -9.518 -2.597 -1.008 329 HA VAL 43 HA VAL 43 -7.727 -2.655 -3.212 330 HB VAL 43 HB VAL 43 -9.729 -4.744 -2.243 331 HG11 VAL 43 HG11 VAL 43 -7.375 -5.127 -4.134 332 HG12 VAL 43 HG12 VAL 43 -8.317 -6.436 -3.379 333 HG13 VAL 43 HG13 VAL 43 -9.088 -5.352 -4.529 334 HG21 VAL 43 HG21 VAL 43 -7.804 -5.774 -1.145 335 HG22 VAL 43 HG22 VAL 43 -6.727 -4.525 -1.826 336 HG23 VAL 43 HG23 VAL 43 -7.945 -4.092 -0.607 337 H GLN 44 H GLN 44 -11.229 -2.246 -3.091 338 HA GLN 44 HA GLN 44 -11.648 -2.761 -5.924 339 HB2 GLN 44 HB2 GLN 44 -13.294 -1.451 -3.784 340 HB3 GLN 44 HB3 GLN 44 -13.890 -1.688 -5.423 341 HG2 GLN 44 HG2 GLN 44 -13.960 -4.027 -5.225 342 HG3 GLN 44 HG3 GLN 44 -12.828 -4.073 -3.884 343 HE21 GLN 44 HE21 GLN 44 -14.742 -5.600 -3.169 344 HE22 GLN 44 HE22 GLN 44 -15.985 -4.818 -2.227 345 H HIS 45 H HIS 45 -10.894 0.222 -3.966 346 HA HIS 45 HA HIS 45 -11.525 2.090 -6.026 347 HB2 HIS 45 HB2 HIS 45 -11.162 2.937 -3.831 348 HB3 HIS 45 HB3 HIS 45 -9.595 2.155 -3.687 349 HD1 HIS 45 HD1 HIS 45 -11.080 5.428 -4.825 350 HD2 HIS 45 HD2 HIS 45 -7.490 3.256 -5.068 351 HE1 HIS 45 HE1 HIS 45 -9.298 7.063 -5.579 352 H THR 46 H THR 46 -8.327 0.607 -5.158 353 HA THR 46 HA THR 46 -6.969 1.776 -7.311 354 HB THR 46 HB THR 46 -5.782 0.877 -5.475 355 HG1 THR 46 HG1 THR 46 -4.756 0.897 -7.455 356 HG21 THR 46 HG21 THR 46 -6.782 -1.848 -6.321 357 HG22 THR 46 HG22 THR 46 -7.106 -1.010 -4.791 358 HG23 THR 46 HG23 THR 46 -5.458 -1.562 -5.167 359 H LYS 47 H LYS 47 -9.044 -1.108 -7.254 360 HA LYS 47 HA LYS 47 -8.161 -2.474 -9.504 361 HB2 LYS 47 HB2 LYS 47 -10.276 -2.745 -7.724 362 HB3 LYS 47 HB3 LYS 47 -11.106 -2.455 -9.254 363 HG2 LYS 47 HG2 LYS 47 -9.557 -4.258 -10.255 364 HG3 LYS 47 HG3 LYS 47 -9.057 -4.617 -8.598 365 HD2 LYS 47 HD2 LYS 47 -11.839 -4.847 -9.800 366 HD3 LYS 47 HD3 LYS 47 -10.798 -6.178 -9.296 367 HE2 LYS 47 HE2 LYS 47 -12.167 -4.129 -7.507 368 HE3 LYS 47 HE3 LYS 47 -12.636 -5.804 -7.738 369 HZ1 LYS 47 HZ1 LYS 47 -11.511 -5.721 -5.774 370 HZ2 LYS 47 HZ2 LYS 47 -10.185 -4.880 -6.367 371 HZ3 LYS 47 HZ3 LYS 47 -10.489 -6.463 -6.747 372 H GLY 48 H GLY 48 -10.203 0.451 -9.450 373 HA2 GLY 48 HA2 GLY 48 -10.308 0.355 -12.447 374 HA3 GLY 48 HA3 GLY 48 -11.436 1.218 -11.404 375 H CYS 49 H CYS 49 -9.073 2.163 -9.665 376 HA CYS 49 HA CYS 49 -8.736 4.705 -10.918 377 HB2 CYS 49 HB2 CYS 49 -8.703 4.316 -8.486 378 HB3 CYS 49 HB3 CYS 49 -7.251 3.309 -8.670 379 H LYS 50 H LYS 50 -7.759 4.835 -12.855 380 HA LYS 50 HA LYS 50 -5.028 3.651 -13.143 381 HB2 LYS 50 HB2 LYS 50 -7.171 4.313 -15.153 382 HB3 LYS 50 HB3 LYS 50 -5.473 4.225 -15.645 383 HG2 LYS 50 HG2 LYS 50 -6.872 1.990 -14.121 384 HG3 LYS 50 HG3 LYS 50 -6.897 2.111 -15.880 385 HD2 LYS 50 HD2 LYS 50 -4.529 1.845 -16.070 386 HD3 LYS 50 HD3 LYS 50 -4.284 2.000 -14.323 387 HE2 LYS 50 HE2 LYS 50 -5.508 -0.045 -13.882 388 HE3 LYS 50 HE3 LYS 50 -5.973 -0.212 -15.572 389 HZ1 LYS 50 HZ1 LYS 50 -3.801 -0.769 -16.158 390 HZ2 LYS 50 HZ2 LYS 50 -3.995 -1.532 -14.701 391 HZ3 LYS 50 HZ3 LYS 50 -3.129 -0.167 -14.774 392 H ARG 51 H ARG 51 -6.723 6.579 -12.615 393 HA ARG 51 HA ARG 51 -4.944 8.443 -13.659 394 HB2 ARG 51 HB2 ARG 51 -5.882 10.047 -12.169 395 HB3 ARG 51 HB3 ARG 51 -7.162 8.965 -12.763 396 HG2 ARG 51 HG2 ARG 51 -7.212 7.835 -10.608 397 HG3 ARG 51 HG3 ARG 51 -5.952 8.907 -9.977 398 HD2 ARG 51 HD2 ARG 51 -8.698 9.790 -11.008 399 HD3 ARG 51 HD3 ARG 51 -8.276 9.576 -9.308 400 HE ARG 51 HE ARG 51 -6.693 11.511 -10.912 401 HH11 ARG 51 HH11 ARG 51 -9.375 11.193 -8.574 402 HH12 ARG 51 HH12 ARG 51 -9.068 12.764 -7.906 403 HH21 ARG 51 HH21 ARG 51 -6.437 13.591 -10.040 404 HH22 ARG 51 HH22 ARG 51 -7.183 13.982 -8.530 405 H LYS 52 H LYS 52 -4.252 6.179 -11.215 406 HA LYS 52 HA LYS 52 -2.424 7.505 -9.618 407 HB2 LYS 52 HB2 LYS 52 -1.644 5.434 -8.914 408 HB3 LYS 52 HB3 LYS 52 -3.301 5.075 -9.414 409 HG2 LYS 52 HG2 LYS 52 -2.383 4.163 -11.586 410 HG3 LYS 52 HG3 LYS 52 -0.749 4.545 -11.016 411 HD2 LYS 52 HD2 LYS 52 -1.468 3.033 -8.938 412 HD3 LYS 52 HD3 LYS 52 -2.563 2.331 -10.134 413 HE2 LYS 52 HE2 LYS 52 0.467 2.635 -10.378 414 HE3 LYS 52 HE3 LYS 52 -0.378 1.131 -10.013 415 HZ1 LYS 52 HZ1 LYS 52 0.363 1.516 -12.357 416 HZ2 LYS 52 HZ2 LYS 52 -0.777 2.619 -12.537 417 HZ3 LYS 52 HZ3 LYS 52 -1.223 1.055 -12.209 418 H THR 53 H THR 53 -1.982 6.465 -12.995 419 HA THR 53 HA THR 53 0.814 6.461 -13.084 420 HB THR 53 HB THR 53 -1.303 7.179 -15.141 421 HG1 THR 53 HG1 THR 53 0.077 4.748 -15.044 422 HG21 THR 53 HG21 THR 53 1.631 6.461 -15.553 423 HG22 THR 53 HG22 THR 53 0.799 7.952 -16.053 424 HG23 THR 53 HG23 THR 53 0.387 6.418 -16.823 425 H ASN 54 H ASN 54 -1.443 9.262 -13.009 426 HA ASN 54 HA ASN 54 0.842 11.150 -13.366 427 HB2 ASN 54 HB2 ASN 54 -2.180 11.451 -13.495 428 HB3 ASN 54 HB3 ASN 54 -1.094 12.824 -13.307 429 HD21 ASN 54 HD21 ASN 54 -1.841 13.681 -15.286 430 HD22 ASN 54 HD22 ASN 54 -1.187 13.068 -16.797 431 H GLY 55 H GLY 55 -0.276 9.405 -10.833 432 HA2 GLY 55 HA2 GLY 55 -0.161 9.672 -8.572 433 HA3 GLY 55 HA3 GLY 55 0.727 11.190 -8.843 434 H GLY 56 H GLY 56 -2.555 9.991 -9.616 435 HA2 GLY 56 HA2 GLY 56 -3.851 12.543 -9.329 436 HA3 GLY 56 HA3 GLY 56 -4.607 10.967 -9.607 437 H CYS 57 H CYS 57 -5.511 9.868 -7.875 438 HA CYS 57 HA CYS 57 -5.967 11.412 -5.525 439 HB2 CYS 57 HB2 CYS 57 -6.787 8.827 -4.858 440 HB3 CYS 57 HB3 CYS 57 -7.760 10.145 -5.507 441 HA PRO 58 HA PRO 58 -2.837 10.260 -2.704 442 HB2 PRO 58 HB2 PRO 58 -4.101 10.139 -0.286 443 HB3 PRO 58 HB3 PRO 58 -3.889 11.642 -1.228 444 HG2 PRO 58 HG2 PRO 58 -6.327 9.844 -1.142 445 HG3 PRO 58 HG3 PRO 58 -6.252 11.630 -0.939 446 HD2 PRO 58 HD2 PRO 58 -6.865 10.516 -3.337 447 HD3 PRO 58 HD3 PRO 58 -5.823 11.962 -3.246 448 H ILE 59 H ILE 59 -5.631 7.987 -2.251 449 HA ILE 59 HA ILE 59 -4.307 6.056 -0.754 450 HB ILE 59 HB ILE 59 -6.364 5.483 -2.920 451 HG12 ILE 59 HG12 ILE 59 -7.042 6.081 -0.027 452 HG13 ILE 59 HG13 ILE 59 -7.059 7.352 -1.227 453 HG21 ILE 59 HG21 ILE 59 -6.888 3.501 -1.683 454 HG22 ILE 59 HG22 ILE 59 -5.125 3.531 -1.703 455 HG23 ILE 59 HG23 ILE 59 -5.971 4.043 -0.253 456 HD11 ILE 59 HD11 ILE 59 -8.699 6.229 -2.609 457 HD12 ILE 59 HD12 ILE 59 -8.713 4.812 -1.540 458 HD13 ILE 59 HD13 ILE 59 -9.309 6.364 -0.954 459 H CYS 60 H CYS 60 -4.774 5.938 -4.334 460 HA CYS 60 HA CYS 60 -3.017 3.771 -4.753 461 HB2 CYS 60 HB2 CYS 60 -2.844 5.018 -7.095 462 HB3 CYS 60 HB3 CYS 60 -4.249 4.104 -6.567 463 H LYS 61 H LYS 61 -2.298 7.173 -4.573 464 HA LYS 61 HA LYS 61 0.445 7.124 -5.474 465 HB2 LYS 61 HB2 LYS 61 -1.111 8.957 -3.665 466 HB3 LYS 61 HB3 LYS 61 0.629 9.017 -3.521 467 HG2 LYS 61 HG2 LYS 61 0.873 9.642 -5.870 468 HG3 LYS 61 HG3 LYS 61 -0.855 9.387 -6.143 469 HD2 LYS 61 HD2 LYS 61 -0.711 11.729 -5.893 470 HD3 LYS 61 HD3 LYS 61 -1.279 11.158 -4.338 471 HE2 LYS 61 HE2 LYS 61 0.340 12.721 -3.746 472 HE3 LYS 61 HE3 LYS 61 1.204 11.194 -3.592 473 HZ1 LYS 61 HZ1 LYS 61 2.630 12.601 -4.732 474 HZ2 LYS 61 HZ2 LYS 61 1.468 13.237 -5.707 475 HZ3 LYS 61 HZ3 LYS 61 2.039 11.722 -5.950 476 H GLN 62 H GLN 62 -0.927 6.630 -2.151 477 HA GLN 62 HA GLN 62 1.654 5.914 -1.087 478 HB2 GLN 62 HB2 GLN 62 -1.070 5.229 0.083 479 HB3 GLN 62 HB3 GLN 62 0.488 5.248 0.911 480 HG2 GLN 62 HG2 GLN 62 -1.165 7.580 -0.051 481 HG3 GLN 62 HG3 GLN 62 -0.534 7.257 1.556 482 HE21 GLN 62 HE21 GLN 62 -0.306 9.608 -0.473 483 HE22 GLN 62 HE22 GLN 62 1.387 9.979 -0.361 484 H LEU 63 H LEU 63 -0.994 3.938 -2.485 485 HA LEU 63 HA LEU 63 0.090 1.432 -1.695 486 HB2 LEU 63 HB2 LEU 63 -1.497 2.240 -4.162 487 HB3 LEU 63 HB3 LEU 63 -0.825 0.623 -4.009 488 HG LEU 63 HG LEU 63 -2.945 1.851 -2.238 489 HD11 LEU 63 HD11 LEU 63 -2.905 -0.577 -4.097 490 HD12 LEU 63 HD12 LEU 63 -3.519 1.000 -4.559 491 HD13 LEU 63 HD13 LEU 63 -4.320 0.091 -3.250 492 HD21 LEU 63 HD21 LEU 63 -1.426 -0.792 -1.992 493 HD22 LEU 63 HD22 LEU 63 -3.002 -0.500 -1.227 494 HD23 LEU 63 HD23 LEU 63 -1.612 0.475 -0.756 495 H ILE 64 H ILE 64 1.019 3.585 -4.375 496 HA ILE 64 HA ILE 64 2.823 1.770 -5.678 497 HB ILE 64 HB ILE 64 2.512 4.800 -5.655 498 HG12 ILE 64 HG12 ILE 64 2.036 2.683 -7.794 499 HG13 ILE 64 HG13 ILE 64 0.804 3.453 -6.799 500 HG21 ILE 64 HG21 ILE 64 4.566 3.272 -7.277 501 HG22 ILE 64 HG22 ILE 64 4.156 4.973 -7.490 502 HG23 ILE 64 HG23 ILE 64 4.908 4.451 -5.998 503 HD11 ILE 64 HD11 ILE 64 0.728 4.507 -8.905 504 HD12 ILE 64 HD12 ILE 64 1.437 5.672 -7.767 505 HD13 ILE 64 HD13 ILE 64 2.470 4.798 -8.931 506 H ALA 65 H ALA 65 3.264 4.348 -3.237 507 HA ALA 65 HA ALA 65 6.022 4.150 -2.858 508 HB1 ALA 65 HB1 ALA 65 3.937 4.750 -0.696 509 HB2 ALA 65 HB2 ALA 65 5.624 5.263 -0.725 510 HB3 ALA 65 HB3 ALA 65 4.471 5.909 -1.914 511 H LEU 66 H LEU 66 3.408 2.516 -1.046 512 HA LEU 66 HA LEU 66 5.149 0.915 0.554 513 HB2 LEU 66 HB2 LEU 66 2.197 0.529 -0.081 514 HB3 LEU 66 HB3 LEU 66 3.104 -0.322 1.160 515 HG LEU 66 HG LEU 66 2.233 2.560 1.156 516 HD11 LEU 66 HD11 LEU 66 1.473 1.877 3.431 517 HD12 LEU 66 HD12 LEU 66 2.130 0.272 3.165 518 HD13 LEU 66 HD13 LEU 66 0.799 0.861 2.153 519 HD21 LEU 66 HD21 LEU 66 4.494 2.933 1.727 520 HD22 LEU 66 HD22 LEU 66 4.605 1.433 2.667 521 HD23 LEU 66 HD23 LEU 66 3.670 2.816 3.272 522 H ALA 67 H ALA 67 3.866 0.317 -2.691 523 HA ALA 67 HA ALA 67 4.231 -2.502 -2.725 524 HB1 ALA 67 HB1 ALA 67 3.010 -1.260 -4.467 525 HB2 ALA 67 HB2 ALA 67 4.531 -0.550 -5.044 526 HB3 ALA 67 HB3 ALA 67 4.273 -2.303 -5.142 527 H ALA 68 H ALA 68 6.465 0.107 -3.728 528 HA ALA 68 HA ALA 68 8.667 -1.560 -4.437 529 HB1 ALA 68 HB1 ALA 68 8.584 1.322 -3.424 530 HB2 ALA 68 HB2 ALA 68 10.042 0.516 -4.039 531 HB3 ALA 68 HB3 ALA 68 8.670 0.760 -5.112 532 H TYR 69 H TYR 69 7.717 -0.162 -1.310 533 HA TYR 69 HA TYR 69 10.070 -0.999 0.145 534 HB2 TYR 69 HB2 TYR 69 8.761 0.759 1.069 535 HB3 TYR 69 HB3 TYR 69 7.259 -0.141 0.924 536 HD1 TYR 69 HD1 TYR 69 10.048 0.631 3.122 537 HD2 TYR 69 HD2 TYR 69 6.823 -2.110 2.362 538 HE1 TYR 69 HE1 TYR 69 10.446 -0.487 5.347 539 HE2 TYR 69 HE2 TYR 69 7.192 -3.201 4.529 540 HH TYR 69 HH TYR 69 8.820 -3.558 6.085 541 H HIS 70 H HIS 70 6.768 -2.528 -0.170 542 HA HIS 70 HA HIS 70 7.456 -4.785 1.384 543 HB2 HIS 70 HB2 HIS 70 5.213 -4.551 1.175 544 HB3 HIS 70 HB3 HIS 70 5.276 -4.015 -0.494 545 HD1 HIS 70 HD1 HIS 70 4.453 -7.119 1.475 546 HD2 HIS 70 HD2 HIS 70 5.738 -5.965 -2.358 547 HE1 HIS 70 HE1 HIS 70 3.886 -9.048 -0.116 548 H ALA 71 H ALA 71 7.904 -4.173 -2.134 549 HA ALA 71 HA ALA 71 8.539 -6.740 -2.951 550 HB1 ALA 71 HB1 ALA 71 8.285 -4.788 -4.447 551 HB2 ALA 71 HB2 ALA 71 9.857 -4.160 -3.885 552 HB3 ALA 71 HB3 ALA 71 9.772 -5.697 -4.770 553 H LYS 72 H LYS 72 10.703 -4.536 -1.082 554 HA LYS 72 HA LYS 72 13.008 -6.160 -1.622 555 HB2 LYS 72 HB2 LYS 72 14.222 -4.859 -0.162 556 HB3 LYS 72 HB3 LYS 72 12.949 -3.749 -0.683 557 HG2 LYS 72 HG2 LYS 72 11.668 -4.474 1.382 558 HG3 LYS 72 HG3 LYS 72 13.080 -5.324 1.925 559 HD2 LYS 72 HD2 LYS 72 13.754 -3.504 2.968 560 HD3 LYS 72 HD3 LYS 72 14.030 -2.725 1.390 561 HE2 LYS 72 HE2 LYS 72 11.712 -1.933 1.348 562 HE3 LYS 72 HE3 LYS 72 11.337 -2.828 2.822 563 HZ1 LYS 72 HZ1 LYS 72 13.185 -0.548 2.590 564 HZ2 LYS 72 HZ2 LYS 72 12.984 -1.439 3.976 565 HZ3 LYS 72 HZ3 LYS 72 11.724 -0.583 3.365 566 H HIS 73 H HIS 73 10.273 -6.758 0.455 567 HA HIS 73 HA HIS 73 11.730 -9.004 1.770 568 HB2 HIS 73 HB2 HIS 73 9.192 -7.753 2.846 569 HB3 HIS 73 HB3 HIS 73 10.339 -8.776 3.645 570 HD1 HIS 73 HD1 HIS 73 11.969 -7.390 5.151 571 HD2 HIS 73 HD2 HIS 73 9.517 -5.345 2.452 572 HE1 HIS 73 HE1 HIS 73 11.883 -5.009 5.914 573 H CYS 74 H CYS 74 9.888 -8.546 -0.861 574 HA CYS 74 HA CYS 74 8.328 -11.066 -0.531 575 HB2 CYS 74 HB2 CYS 74 6.964 -8.864 -0.445 576 HB3 CYS 74 HB3 CYS 74 7.353 -8.748 -2.166 577 H GLN 75 H GLN 75 9.722 -12.328 -1.565 578 HA GLN 75 HA GLN 75 10.422 -11.596 -4.363 579 HB2 GLN 75 HB2 GLN 75 12.682 -12.643 -3.925 580 HB3 GLN 75 HB3 GLN 75 12.423 -11.011 -3.327 581 HG2 GLN 75 HG2 GLN 75 12.362 -11.669 -1.069 582 HG3 GLN 75 HG3 GLN 75 11.969 -13.347 -1.444 583 HE21 GLN 75 HE21 GLN 75 14.598 -10.945 -2.020 584 HE22 GLN 75 HE22 GLN 75 15.913 -12.067 -1.972 585 H GLU 76 H GLU 76 8.642 -12.963 -4.917 586 HA GLU 76 HA GLU 76 9.432 -15.808 -4.854 587 HB2 GLU 76 HB2 GLU 76 6.930 -16.301 -4.712 588 HB3 GLU 76 HB3 GLU 76 7.855 -15.987 -3.233 589 HG2 GLU 76 HG2 GLU 76 6.926 -13.662 -3.173 590 HG3 GLU 76 HG3 GLU 76 6.001 -14.034 -4.616 591 H ASN 77 H ASN 77 8.346 -17.027 -6.604 592 HA ASN 77 HA ASN 77 8.730 -15.647 -9.104 593 HB2 ASN 77 HB2 ASN 77 7.484 -18.333 -8.412 594 HB3 ASN 77 HB3 ASN 77 7.564 -17.712 -10.066 595 HD21 ASN 77 HD21 ASN 77 9.068 -20.029 -8.517 596 HD22 ASN 77 HD22 ASN 77 10.695 -19.755 -9.129 597 H LYS 78 H LYS 78 5.943 -16.092 -7.096 598 HA LYS 78 HA LYS 78 4.196 -14.596 -8.967 599 HB2 LYS 78 HB2 LYS 78 2.351 -16.161 -7.945 600 HB3 LYS 78 HB3 LYS 78 3.315 -16.651 -9.316 601 HG2 LYS 78 HG2 LYS 78 3.003 -18.491 -7.735 602 HG3 LYS 78 HG3 LYS 78 4.699 -18.121 -7.988 603 HD2 LYS 78 HD2 LYS 78 4.724 -16.863 -5.806 604 HD3 LYS 78 HD3 LYS 78 3.027 -17.283 -5.591 605 HE2 LYS 78 HE2 LYS 78 3.709 -19.712 -5.704 606 HE3 LYS 78 HE3 LYS 78 5.396 -19.169 -5.702 607 HZ1 LYS 78 HZ1 LYS 78 3.417 -19.025 -3.567 608 HZ2 LYS 78 HZ2 LYS 78 4.606 -17.874 -3.612 609 HZ3 LYS 78 HZ3 LYS 78 4.977 -19.489 -3.494 610 H CYS 79 H CYS 79 5.065 -12.835 -7.628 611 HA CYS 79 HA CYS 79 4.683 -12.454 -4.922 612 HB2 CYS 79 HB2 CYS 79 5.269 -10.812 -7.221 613 HB3 CYS 79 HB3 CYS 79 4.133 -9.970 -6.193 614 HA PRO 80 HA PRO 80 0.262 -12.556 -4.437 615 HB2 PRO 80 HB2 PRO 80 -0.010 -11.612 -1.890 616 HB3 PRO 80 HB3 PRO 80 0.713 -13.197 -2.287 617 HG2 PRO 80 HG2 PRO 80 2.159 -10.597 -1.698 618 HG3 PRO 80 HG3 PRO 80 2.504 -12.230 -1.048 619 HD2 PRO 80 HD2 PRO 80 3.855 -11.184 -3.179 620 HD3 PRO 80 HD3 PRO 80 3.514 -12.930 -3.023 621 H VAL 81 H VAL 81 1.769 -9.337 -3.544 622 HA VAL 81 HA VAL 81 -0.837 -8.078 -3.814 623 HB VAL 81 HB VAL 81 1.920 -6.896 -3.331 624 HG11 VAL 81 HG11 VAL 81 -0.771 -5.490 -3.190 625 HG12 VAL 81 HG12 VAL 81 0.807 -4.817 -2.750 626 HG13 VAL 81 HG13 VAL 81 0.472 -5.208 -4.432 627 HG21 VAL 81 HG21 VAL 81 1.095 -8.235 -1.471 628 HG22 VAL 81 HG22 VAL 81 1.028 -6.512 -1.076 629 HG23 VAL 81 HG23 VAL 81 -0.462 -7.374 -1.519 630 HA PRO 82 HA PRO 82 -0.442 -7.895 -8.229 631 HB2 PRO 82 HB2 PRO 82 -2.202 -5.833 -8.852 632 HB3 PRO 82 HB3 PRO 82 -2.672 -7.519 -8.463 633 HG2 PRO 82 HG2 PRO 82 -2.632 -5.110 -6.642 634 HG3 PRO 82 HG3 PRO 82 -3.892 -6.386 -6.793 635 HD2 PRO 82 HD2 PRO 82 -2.043 -6.410 -4.802 636 HD3 PRO 82 HD3 PRO 82 -2.613 -7.924 -5.560 637 H PHE 83 H PHE 83 0.111 -5.008 -6.272 638 HA PHE 83 HA PHE 83 1.348 -3.475 -8.437 639 HB2 PHE 83 HB2 PHE 83 1.120 -3.086 -5.423 640 HB3 PHE 83 HB3 PHE 83 2.204 -2.135 -6.406 641 HD1 PHE 83 HD1 PHE 83 -1.322 -3.091 -7.370 642 HD2 PHE 83 HD2 PHE 83 1.390 0.041 -6.110 643 HE1 PHE 83 HE1 PHE 83 -3.029 -1.402 -7.808 644 HE2 PHE 83 HE2 PHE 83 -0.376 1.705 -6.517 645 HZ PHE 83 HZ PHE 83 -2.579 1.008 -7.387 646 H CYS 84 H CYS 84 2.564 -5.450 -5.591 647 HA CYS 84 HA CYS 84 5.267 -4.676 -5.995 648 HB2 CYS 84 HB2 CYS 84 5.830 -6.313 -4.450 649 HB3 CYS 84 HB3 CYS 84 4.291 -5.574 -3.928 650 H LEU 85 H LEU 85 3.314 -7.181 -7.382 651 HA LEU 85 HA LEU 85 5.303 -8.803 -8.517 652 HB2 LEU 85 HB2 LEU 85 2.895 -9.319 -8.472 653 HB3 LEU 85 HB3 LEU 85 2.579 -8.004 -9.604 654 HG LEU 85 HG LEU 85 3.983 -9.190 -11.339 655 HD11 LEU 85 HD11 LEU 85 4.548 -11.558 -11.016 656 HD12 LEU 85 HD12 LEU 85 3.948 -11.499 -9.343 657 HD13 LEU 85 HD13 LEU 85 5.392 -10.573 -9.828 658 HD21 LEU 85 HD21 LEU 85 2.297 -10.825 -11.913 659 HD22 LEU 85 HD22 LEU 85 1.527 -9.377 -11.261 660 HD23 LEU 85 HD23 LEU 85 1.680 -10.830 -10.241 661 H ASN 86 H ASN 86 4.210 -5.581 -9.466 662 HA ASN 86 HA ASN 86 5.461 -5.607 -12.082 663 HB2 ASN 86 HB2 ASN 86 4.701 -3.239 -10.327 664 HB3 ASN 86 HB3 ASN 86 5.176 -3.164 -12.020 665 HD21 ASN 86 HD21 ASN 86 2.523 -2.442 -10.626 666 HD22 ASN 86 HD22 ASN 86 1.330 -3.398 -11.442 667 H ILE 87 H ILE 87 6.498 -4.425 -8.808 668 HA ILE 87 HA ILE 87 9.030 -3.464 -9.716 669 HB ILE 87 HB ILE 87 8.249 -4.439 -6.946 670 HG12 ILE 87 HG12 ILE 87 8.705 -1.666 -6.858 671 HG13 ILE 87 HG13 ILE 87 7.937 -1.855 -8.424 672 HG21 ILE 87 HG21 ILE 87 10.679 -4.571 -7.126 673 HG22 ILE 87 HG22 ILE 87 10.749 -2.944 -7.843 674 HG23 ILE 87 HG23 ILE 87 10.250 -3.165 -6.155 675 HD11 ILE 87 HD11 ILE 87 6.048 -3.021 -7.348 676 HD12 ILE 87 HD12 ILE 87 6.859 -2.908 -5.772 677 HD13 ILE 87 HD13 ILE 87 6.322 -1.431 -6.598 678 H LYS 88 H LYS 88 7.947 -6.745 -8.738 679 HA LYS 88 HA LYS 88 10.421 -8.023 -8.568 680 HB2 LYS 88 HB2 LYS 88 8.277 -9.181 -8.150 681 HB3 LYS 88 HB3 LYS 88 7.872 -9.078 -9.865 682 HG2 LYS 88 HG2 LYS 88 9.903 -10.443 -10.421 683 HG3 LYS 88 HG3 LYS 88 10.190 -10.630 -8.690 684 HD2 LYS 88 HD2 LYS 88 8.016 -11.823 -8.497 685 HD3 LYS 88 HD3 LYS 88 7.664 -11.453 -10.196 686 HE2 LYS 88 HE2 LYS 88 8.480 -13.723 -10.117 687 HE3 LYS 88 HE3 LYS 88 9.683 -12.697 -10.907 688 HZ1 LYS 88 HZ1 LYS 88 10.798 -12.614 -8.642 689 HZ2 LYS 88 HZ2 LYS 88 10.849 -14.087 -9.364 690 HZ3 LYS 88 HZ3 LYS 88 9.765 -13.707 -8.143 691 H GLN 89 H GLN 89 8.522 -7.371 -11.519 692 HA GLN 89 HA GLN 89 10.334 -8.565 -13.369 693 HB2 GLN 89 HB2 GLN 89 8.214 -6.393 -13.709 694 HB3 GLN 89 HB3 GLN 89 9.024 -7.215 -15.032 695 HG2 GLN 89 HG2 GLN 89 8.199 -9.416 -14.127 696 HG3 GLN 89 HG3 GLN 89 7.275 -8.541 -12.906 697 HE21 GLN 89 HE21 GLN 89 7.667 -9.053 -16.385 698 HE22 GLN 89 HE22 GLN 89 5.983 -8.708 -16.807 699 H LYS 90 H LYS 90 10.706 -5.598 -11.614 700 HA LYS 90 HA LYS 90 12.767 -4.675 -13.555 701 HB2 LYS 90 HB2 LYS 90 10.984 -3.101 -11.679 702 HB3 LYS 90 HB3 LYS 90 12.262 -2.395 -12.671 703 HG2 LYS 90 HG2 LYS 90 11.144 -2.858 -14.710 704 HG3 LYS 90 HG3 LYS 90 9.985 -3.963 -13.978 705 HD2 LYS 90 HD2 LYS 90 10.095 -0.996 -13.395 706 HD3 LYS 90 HD3 LYS 90 9.052 -1.740 -14.616 707 HE2 LYS 90 HE2 LYS 90 7.917 -3.070 -12.921 708 HE3 LYS 90 HE3 LYS 90 9.032 -2.501 -11.669 709 HZ1 LYS 90 HZ1 LYS 90 8.216 -0.273 -12.039 710 HZ2 LYS 90 HZ2 LYS 90 7.056 -1.267 -11.512 711 HZ3 LYS 90 HZ3 LYS 90 7.043 -0.867 -13.094 712 H GLY 91 H GLY 91 12.434 -6.008 -10.471 713 HA2 GLY 91 HA2 GLY 91 14.286 -4.617 -8.923 714 HA3 GLY 91 HA3 GLY 91 13.828 -6.301 -8.710 715 H THR 92 H THR 92 15.145 -5.996 -11.821 716 HA THR 92 HA THR 92 17.500 -7.469 -11.196 717 HB THR 92 HB THR 92 17.751 -7.180 -13.713 718 HG1 THR 92 HG1 THR 92 15.878 -6.283 -14.718 719 HG21 THR 92 HG21 THR 92 16.396 -9.030 -12.605 720 HG22 THR 92 HG22 THR 92 15.853 -8.616 -14.227 721 HG23 THR 92 HG23 THR 92 14.940 -8.028 -12.827 722 H ILE 93 H ILE 93 16.741 -4.042 -11.626 723 HA ILE 93 HA ILE 93 19.636 -3.389 -11.168 724 HB ILE 93 HB ILE 93 19.197 -1.271 -12.309 725 HG12 ILE 93 HG12 ILE 93 16.687 -2.434 -13.557 726 HG13 ILE 93 HG13 ILE 93 16.593 -1.458 -12.089 727 HG21 ILE 93 HG21 ILE 93 18.702 -3.701 -14.088 728 HG22 ILE 93 HG22 ILE 93 19.432 -2.157 -14.565 729 HG23 ILE 93 HG23 ILE 93 20.283 -3.197 -13.428 730 HD11 ILE 93 HD11 ILE 93 17.696 0.429 -13.169 731 HD12 ILE 93 HD12 ILE 93 17.878 -0.501 -14.670 732 HD13 ILE 93 HD13 ILE 93 16.261 -0.082 -14.080 733 H GLU 94 H GLU 94 16.382 -2.926 -10.004 734 HA GLU 94 HA GLU 94 17.372 -0.879 -8.075 735 HB2 GLU 94 HB2 GLU 94 15.576 -0.034 -9.549 736 HB3 GLU 94 HB3 GLU 94 14.529 -1.370 -9.056 737 HG2 GLU 94 HG2 GLU 94 14.366 -0.549 -6.805 738 HG3 GLU 94 HG3 GLU 94 15.747 0.536 -7.014 739 H GLY 95 H GLY 95 16.594 -1.107 -5.874 740 HA2 GLY 95 HA2 GLY 95 15.525 -3.777 -5.164 741 HA3 GLY 95 HA3 GLY 95 17.098 -3.303 -4.531 742 H ARG 96 H ARG 96 17.160 -2.008 -2.812 743 HA ARG 96 HA ARG 96 14.905 -1.567 -1.147 744 HB2 ARG 96 HB2 ARG 96 17.842 -0.804 -1.063 745 HB3 ARG 96 HB3 ARG 96 16.757 -0.414 0.267 746 HG2 ARG 96 HG2 ARG 96 16.405 -2.582 0.907 747 HG3 ARG 96 HG3 ARG 96 16.754 -3.274 -0.677 748 HD2 ARG 96 HD2 ARG 96 19.122 -3.022 -0.399 749 HD3 ARG 96 HD3 ARG 96 18.915 -1.949 0.991 750 HE ARG 96 HE ARG 96 18.568 -3.700 2.387 751 HH11 ARG 96 HH11 ARG 96 18.328 -5.093 -0.910 752 HH12 ARG 96 HH12 ARG 96 18.231 -6.703 -0.338 753 HH21 ARG 96 HH21 ARG 96 18.616 -5.872 3.099 754 HH22 ARG 96 HH22 ARG 96 18.395 -7.145 1.954 755 H GLY 97 H GLY 97 14.843 0.058 -3.757 756 HA2 GLY 97 HA2 GLY 97 15.046 2.819 -3.224 757 HA3 GLY 97 HA3 GLY 97 14.003 2.065 -4.443 758 H ASN 98 H ASN 98 13.934 4.042 -1.852 759 HA ASN 98 HA ASN 98 11.103 3.541 -1.266 760 HB2 ASN 98 HB2 ASN 98 11.353 3.677 1.119 761 HB3 ASN 98 HB3 ASN 98 12.319 2.344 0.513 762 HD21 ASN 98 HD21 ASN 98 13.048 2.991 2.972 763 HD22 ASN 98 HD22 ASN 98 14.484 3.969 3.015 764 H GLU 99 H GLU 99 12.698 5.535 -2.797 765 HA GLU 99 HA GLU 99 12.680 8.013 -1.310 766 HB2 GLU 99 HB2 GLU 99 14.240 7.461 -3.109 767 HB3 GLU 99 HB3 GLU 99 12.904 7.464 -4.272 768 HG2 GLU 99 HG2 GLU 99 12.480 9.835 -3.871 769 HG3 GLU 99 HG3 GLU 99 13.606 9.853 -2.508 770 H PHE 100 H PHE 100 10.533 8.006 -0.495 771 HA PHE 100 HA PHE 100 8.652 9.341 -2.198 772 HB2 PHE 100 HB2 PHE 100 8.204 6.868 -2.666 773 HB3 PHE 100 HB3 PHE 100 7.703 6.708 -0.993 774 HD1 PHE 100 HD1 PHE 100 6.551 7.274 -4.285 775 HD2 PHE 100 HD2 PHE 100 5.899 8.645 -0.228 776 HE1 PHE 100 HE1 PHE 100 4.310 8.066 -4.894 777 HE2 PHE 100 HE2 PHE 100 3.645 9.416 -0.864 778 HZ PHE 100 HZ PHE 100 2.846 9.145 -3.200 779 H LEU 101 H LEU 101 8.569 10.997 -0.812 780 HA LEU 101 HA LEU 101 8.459 10.567 2.122 781 HB2 LEU 101 HB2 LEU 101 8.650 13.083 0.396 782 HB3 LEU 101 HB3 LEU 101 8.365 13.092 2.128 783 HG LEU 101 HG LEU 101 10.892 12.313 0.669 784 HD11 LEU 101 HD11 LEU 101 11.794 14.090 2.187 785 HD12 LEU 101 HD12 LEU 101 10.158 14.299 2.852 786 HD13 LEU 101 HD13 LEU 101 10.476 14.682 1.154 787 HD21 LEU 101 HD21 LEU 101 11.887 11.763 2.896 788 HD22 LEU 101 HD22 LEU 101 10.684 10.584 2.383 789 HD23 LEU 101 HD23 LEU 101 10.268 11.814 3.607 790 H SER 102 H SER 102 6.453 10.515 3.057 791 HA SER 102 HA SER 102 4.175 11.496 1.397 792 HB2 SER 102 HB2 SER 102 4.357 9.030 1.655 793 HB3 SER 102 HB3 SER 102 4.059 9.235 3.401 794 HG SER 102 HG SER 102 2.303 8.948 1.647 795 HA PRO 103 HA PRO 103 3.372 14.201 4.858 796 HB2 PRO 103 HB2 PRO 103 0.902 15.178 4.134 797 HB3 PRO 103 HB3 PRO 103 2.367 15.581 3.217 798 HG2 PRO 103 HG2 PRO 103 0.373 13.396 2.611 799 HG3 PRO 103 HG3 PRO 103 0.996 14.659 1.502 800 HD2 PRO 103 HD2 PRO 103 2.010 12.146 1.599 801 HD3 PRO 103 HD3 PRO 103 3.066 13.557 1.314 802 H GLU 104 H GLU 104 1.039 14.608 6.168 803 HA GLU 104 HA GLU 104 0.684 12.312 7.785 804 HB2 GLU 104 HB2 GLU 104 -1.035 14.777 7.461 805 HB3 GLU 104 HB3 GLU 104 -1.107 13.618 8.818 806 HG2 GLU 104 HG2 GLU 104 1.371 14.084 9.194 807 HG3 GLU 104 HG3 GLU 104 1.253 15.387 8.013 808 H VAL 105 H VAL 105 -0.893 13.301 4.832 809 HA VAL 105 HA VAL 105 -3.295 12.042 4.842 810 HB VAL 105 HB VAL 105 -1.407 12.033 2.454 811 HG11 VAL 105 HG11 VAL 105 -4.453 12.103 2.657 812 HG12 VAL 105 HG12 VAL 105 -3.528 12.328 1.154 813 HG13 VAL 105 HG13 VAL 105 -3.458 10.787 2.001 814 HG21 VAL 105 HG21 VAL 105 -3.285 14.221 3.411 815 HG22 VAL 105 HG22 VAL 105 -1.521 14.342 3.449 816 HG23 VAL 105 HG23 VAL 105 -2.351 14.239 1.905 817 H PHE 106 H PHE 106 -0.140 10.475 4.677 818 HA PHE 106 HA PHE 106 -0.760 7.947 3.686 819 HB2 PHE 106 HB2 PHE 106 1.505 8.742 4.288 820 HB3 PHE 106 HB3 PHE 106 1.069 8.766 5.990 821 HD1 PHE 106 HD1 PHE 106 1.186 6.401 3.026 822 HD2 PHE 106 HD2 PHE 106 1.714 6.902 7.294 823 HE1 PHE 106 HE1 PHE 106 1.684 4.046 3.235 824 HE2 PHE 106 HE2 PHE 106 2.333 4.497 7.473 825 HZ PHE 106 HZ PHE 106 2.199 3.042 5.493 826 H GLN 107 H GLN 107 -1.176 9.218 7.011 827 HA GLN 107 HA GLN 107 -2.440 6.763 7.978 828 HB2 GLN 107 HB2 GLN 107 -1.845 9.476 9.191 829 HB3 GLN 107 HB3 GLN 107 -2.724 8.210 10.061 830 HG2 GLN 107 HG2 GLN 107 -0.889 6.768 10.163 831 HG3 GLN 107 HG3 GLN 107 -0.066 7.471 8.780 832 HE21 GLN 107 HE21 GLN 107 -0.541 7.701 12.267 833 HE22 GLN 107 HE22 GLN 107 0.430 9.109 12.551 834 H HIS 108 H HIS 108 -3.498 9.920 6.709 835 HA HIS 108 HA HIS 108 -6.194 9.773 7.640 836 HB2 HIS 108 HB2 HIS 108 -5.188 11.038 5.062 837 HB3 HIS 108 HB3 HIS 108 -6.786 11.230 5.733 838 HD1 HIS 108 HD1 HIS 108 -6.740 13.827 6.170 839 HD2 HIS 108 HD2 HIS 108 -3.624 11.648 8.023 840 HE1 HIS 108 HE1 HIS 108 -5.543 15.419 7.696 841 H ILE 109 H ILE 109 -4.524 8.068 4.979 842 HA ILE 109 HA ILE 109 -6.900 7.199 3.653 843 HB ILE 109 HB ILE 109 -4.020 6.245 3.712 844 HG12 ILE 109 HG12 ILE 109 -5.507 7.397 1.318 845 HG13 ILE 109 HG13 ILE 109 -4.925 8.490 2.571 846 HG21 ILE 109 HG21 ILE 109 -6.327 5.101 2.091 847 HG22 ILE 109 HG22 ILE 109 -4.613 4.878 1.661 848 HG23 ILE 109 HG23 ILE 109 -5.231 4.248 3.181 849 HD11 ILE 109 HD11 ILE 109 -3.149 6.539 1.080 850 HD12 ILE 109 HD12 ILE 109 -3.274 8.288 0.801 851 HD13 ILE 109 HD13 ILE 109 -2.649 7.681 2.343 852 H TRP 110 H TRP 110 -4.755 5.771 6.199 853 HA TRP 110 HA TRP 110 -6.322 3.413 6.388 854 HB2 TRP 110 HB2 TRP 110 -4.517 4.518 8.548 855 HB3 TRP 110 HB3 TRP 110 -4.992 2.837 8.266 856 HD1 TRP 110 HD1 TRP 110 -2.034 4.602 8.066 857 HE1 TRP 110 HE1 TRP 110 -0.465 3.962 6.106 858 HE3 TRP 110 HE3 TRP 110 -5.315 1.919 5.200 859 HZ2 TRP 110 HZ2 TRP 110 -0.657 2.575 3.612 860 HZ3 TRP 110 HZ3 TRP 110 -4.622 0.949 3.090 861 HH2 TRP 110 HH2 TRP 110 -2.272 1.264 2.230 862 H ASP 111 H ASP 111 -6.704 6.585 7.816 863 HA ASP 111 HA ASP 111 -8.520 5.942 9.893 864 HB2 ASP 111 HB2 ASP 111 -7.438 8.137 9.681 865 HB3 ASP 111 HB3 ASP 111 -8.291 8.443 8.173 866 H PHE 112 H PHE 112 -9.159 6.676 6.428 867 HA PHE 112 HA PHE 112 -12.028 6.268 6.871 868 HB2 PHE 112 HB2 PHE 112 -12.441 6.985 4.754 869 HB3 PHE 112 HB3 PHE 112 -10.986 7.884 5.165 870 HD1 PHE 112 HD1 PHE 112 -12.261 4.875 3.300 871 HD2 PHE 112 HD2 PHE 112 -9.053 7.728 3.758 872 HE1 PHE 112 HE1 PHE 112 -10.985 3.744 1.531 873 HE2 PHE 112 HE2 PHE 112 -7.907 6.726 1.842 874 HZ PHE 112 HZ PHE 112 -8.791 4.631 0.797 875 H LEU 113 H LEU 113 -9.321 4.183 6.090 876 HA LEU 113 HA LEU 113 -10.572 2.238 4.542 877 HB2 LEU 113 HB2 LEU 113 -8.779 0.952 4.866 878 HB3 LEU 113 HB3 LEU 113 -8.126 2.393 5.587 879 HG LEU 113 HG LEU 113 -8.893 1.344 7.883 880 HD11 LEU 113 HD11 LEU 113 -8.717 -1.248 7.718 881 HD12 LEU 113 HD12 LEU 113 -9.178 -1.042 6.020 882 HD13 LEU 113 HD13 LEU 113 -10.244 -0.502 7.340 883 HD21 LEU 113 HD21 LEU 113 -6.814 -0.121 7.892 884 HD22 LEU 113 HD22 LEU 113 -6.587 1.537 7.382 885 HD23 LEU 113 HD23 LEU 113 -6.641 0.246 6.169 886 H GLU 114 H GLU 114 -10.906 2.765 8.010 887 HA GLU 114 HA GLU 114 -12.799 0.516 8.255 888 HB2 GLU 114 HB2 GLU 114 -12.575 0.858 10.635 889 HB3 GLU 114 HB3 GLU 114 -11.010 0.671 9.854 890 HG2 GLU 114 HG2 GLU 114 -10.692 3.160 9.921 891 HG3 GLU 114 HG3 GLU 114 -12.229 3.305 10.801 892 H GLN 115 H GLN 115 -13.024 3.779 7.482 893 HA GLN 115 HA GLN 115 -15.892 3.885 8.194 894 HB2 GLN 115 HB2 GLN 115 -14.816 5.253 9.866 895 HB3 GLN 115 HB3 GLN 115 -13.852 6.067 8.622 896 HG2 GLN 115 HG2 GLN 115 -15.679 7.489 9.407 897 HG3 GLN 115 HG3 GLN 115 -15.848 7.180 7.713 898 HE21 GLN 115 HE21 GLN 115 -17.733 5.894 6.933 899 HE22 GLN 115 HE22 GLN 115 -19.006 5.501 8.059 900 HA PRO 116 HA PRO 116 -14.906 4.744 3.758 901 HB2 PRO 116 HB2 PRO 116 -16.649 3.014 2.577 902 HB3 PRO 116 HB3 PRO 116 -15.130 2.431 3.321 903 HG2 PRO 116 HG2 PRO 116 -17.905 2.462 4.566 904 HG3 PRO 116 HG3 PRO 116 -16.756 1.098 4.469 905 HD2 PRO 116 HD2 PRO 116 -16.976 2.749 6.662 906 HD3 PRO 116 HD3 PRO 116 -15.427 1.986 6.191 907 H ILE 117 H ILE 117 -16.953 5.141 2.056 908 HA ILE 117 HA ILE 117 -18.731 6.283 1.472 909 HB ILE 117 HB ILE 117 -19.874 6.238 4.261 910 HG12 ILE 117 HG12 ILE 117 -20.221 4.151 2.045 911 HG13 ILE 117 HG13 ILE 117 -19.299 3.898 3.523 912 HG21 ILE 117 HG21 ILE 117 -20.783 7.782 2.403 913 HG22 ILE 117 HG22 ILE 117 -21.220 6.300 1.542 914 HG23 ILE 117 HG23 ILE 117 -21.932 6.670 3.140 915 HD11 ILE 117 HD11 ILE 117 -21.394 2.872 3.860 916 HD12 ILE 117 HD12 ILE 117 -21.359 4.326 4.873 917 HD13 ILE 117 HD13 ILE 117 -22.281 4.317 3.343 918 H SER 118 H SER 118 -17.017 7.820 1.107 919 HA SER 118 HA SER 118 -17.849 10.395 2.064 920 HB2 SER 118 HB2 SER 118 -16.076 9.556 3.765 921 HB3 SER 118 HB3 SER 118 -14.899 9.758 2.451 922 HG SER 118 HG SER 118 -15.422 11.653 3.953 923 H SER 119 H SER 119 -16.856 12.008 0.721 924 HA SER 119 HA SER 119 -16.578 11.196 -2.038 925 HB2 SER 119 HB2 SER 119 -16.300 13.912 -0.715 926 HB3 SER 119 HB3 SER 119 -16.209 13.635 -2.466 927 HG SER 119 HG SER 119 -18.301 14.142 -1.915 928 H VAL 120 H VAL 120 -14.574 9.731 -1.174 929 HA VAL 120 HA VAL 120 -12.030 11.181 -1.262 930 HB VAL 120 HB VAL 120 -12.181 9.450 0.310 931 HG11 VAL 120 HG11 VAL 120 -12.321 7.064 -0.211 932 HG12 VAL 120 HG12 VAL 120 -13.816 7.923 -0.594 933 HG13 VAL 120 HG13 VAL 120 -12.712 7.457 -1.902 934 HG21 VAL 120 HG21 VAL 120 -10.258 8.435 -1.840 935 HG22 VAL 120 HG22 VAL 120 -9.976 9.870 -0.836 936 HG23 VAL 120 HG23 VAL 120 -10.129 8.289 -0.080 937 H GLN 121 H GLN 121 -12.978 12.058 -3.241 938 HA GLN 121 HA GLN 121 -11.831 10.841 -5.665 939 HB2 GLN 121 HB2 GLN 121 -14.673 11.979 -5.465 940 HB3 GLN 121 HB3 GLN 121 -13.785 11.684 -6.956 941 HG2 GLN 121 HG2 GLN 121 -15.191 9.875 -6.832 942 HG3 GLN 121 HG3 GLN 121 -13.630 9.251 -6.295 943 HE21 GLN 121 HE21 GLN 121 -14.427 7.546 -5.032 944 HE22 GLN 121 HE22 GLN 121 -15.413 7.781 -3.592 945 HA PRO 122 HA PRO 122 -11.036 15.286 -4.426 946 HB2 PRO 122 HB2 PRO 122 -8.304 15.303 -4.425 947 HB3 PRO 122 HB3 PRO 122 -9.257 14.734 -3.024 948 HG2 PRO 122 HG2 PRO 122 -7.973 13.055 -5.197 949 HG3 PRO 122 HG3 PRO 122 -7.920 12.822 -3.418 950 HD2 PRO 122 HD2 PRO 122 -9.690 11.485 -5.048 951 HD3 PRO 122 HD3 PRO 122 -10.086 11.956 -3.367 952 H ILE 123 H ILE 123 -9.996 16.947 -5.812 953 HA ILE 123 HA ILE 123 -9.474 16.051 -8.599 954 HB ILE 123 HB ILE 123 -10.678 17.924 -9.434 955 HG12 ILE 123 HG12 ILE 123 -11.539 18.723 -6.629 956 HG13 ILE 123 HG13 ILE 123 -10.309 19.553 -7.591 957 HG21 ILE 123 HG21 ILE 123 -12.537 16.547 -7.457 958 HG22 ILE 123 HG22 ILE 123 -12.939 17.187 -9.060 959 HG23 ILE 123 HG23 ILE 123 -11.889 15.779 -8.915 960 HD11 ILE 123 HD11 ILE 123 -12.312 20.789 -7.908 961 HD12 ILE 123 HD12 ILE 123 -12.053 19.893 -9.406 962 HD13 ILE 123 HD13 ILE 123 -13.265 19.331 -8.231 963 H ASP 124 H ASP 124 -8.169 17.553 -9.774 964 HA ASP 124 HA ASP 124 -6.212 18.673 -10.092 965 HB2 ASP 124 HB2 ASP 124 -7.550 20.581 -9.781 966 HB3 ASP 124 HB3 ASP 124 -7.555 20.422 -8.027 Start of MODEL 15 1 H1 ALA 1 H ALA 1 16.007 2.784 3.353 2 HA ALA 1 HA ALA 1 18.267 4.368 2.298 3 HB1 ALA 1 HB1 ALA 1 16.720 5.770 3.689 4 HB2 ALA 1 HB2 ALA 1 16.948 4.639 5.035 5 HB3 ALA 1 HB3 ALA 1 18.316 5.602 4.428 6 H THR 2 H THR 2 19.813 4.239 4.707 7 HA THR 2 HA THR 2 20.122 1.355 5.263 8 HB THR 2 HB THR 2 22.630 1.785 5.058 9 HG1 THR 2 HG1 THR 2 21.863 3.744 3.186 10 HG21 THR 2 HG21 THR 2 22.675 1.266 2.644 11 HG22 THR 2 HG22 THR 2 20.958 1.691 2.515 12 HG23 THR 2 HG23 THR 2 21.460 0.312 3.505 13 H GLN 3 H GLN 3 22.392 3.814 6.155 14 HA GLN 3 HA GLN 3 22.458 3.445 8.842 15 HB2 GLN 3 HB2 GLN 3 23.615 5.613 8.921 16 HB3 GLN 3 HB3 GLN 3 24.104 4.710 7.489 17 HG2 GLN 3 HG2 GLN 3 22.661 6.070 6.055 18 HG3 GLN 3 HG3 GLN 3 21.937 6.870 7.444 19 HE21 GLN 3 HE21 GLN 3 22.729 8.492 5.641 20 HE22 GLN 3 HE22 GLN 3 24.180 9.379 6.123 21 H SER 4 H SER 4 19.791 4.975 7.386 22 HA SER 4 HA SER 4 19.213 7.024 9.335 23 HB2 SER 4 HB2 SER 4 18.343 7.359 7.198 24 HB3 SER 4 HB3 SER 4 17.833 5.682 7.018 25 HG SER 4 HG SER 4 16.037 6.077 7.845 26 HA PRO 5 HA PRO 5 17.509 4.287 12.437 27 HB2 PRO 5 HB2 PRO 5 16.192 6.001 14.064 28 HB3 PRO 5 HB3 PRO 5 17.949 6.137 13.802 29 HG2 PRO 5 HG2 PRO 5 15.752 7.673 12.364 30 HG3 PRO 5 HG3 PRO 5 17.191 8.341 13.205 31 HD2 PRO 5 HD2 PRO 5 17.175 7.877 10.516 32 HD3 PRO 5 HD3 PRO 5 18.638 7.625 11.506 33 H GLY 6 H GLY 6 16.177 3.897 10.085 34 HA2 GLY 6 HA2 GLY 6 13.381 4.410 10.014 35 HA3 GLY 6 HA3 GLY 6 14.264 3.225 9.068 36 H ASP 7 H ASP 7 14.316 2.998 12.573 37 HA ASP 7 HA ASP 7 13.193 0.319 12.511 38 HB2 ASP 7 HB2 ASP 7 14.024 2.169 14.768 39 HB3 ASP 7 HB3 ASP 7 13.371 0.536 15.006 40 H SER 8 H SER 8 12.127 3.531 13.723 41 HA SER 8 HA SER 8 9.598 2.744 14.682 42 HB2 SER 8 HB2 SER 8 10.973 5.057 14.680 43 HB3 SER 8 HB3 SER 8 9.932 5.414 13.303 44 HG SER 8 HG SER 8 9.405 5.731 15.798 45 H ARG 9 H ARG 9 10.695 3.766 11.455 46 HA ARG 9 HA ARG 9 8.132 3.584 10.201 47 HB2 ARG 9 HB2 ARG 9 10.907 3.372 8.928 48 HB3 ARG 9 HB3 ARG 9 9.403 3.631 8.058 49 HG2 ARG 9 HG2 ARG 9 10.524 5.526 10.165 50 HG3 ARG 9 HG3 ARG 9 10.706 5.744 8.434 51 HD2 ARG 9 HD2 ARG 9 8.410 6.170 8.111 52 HD3 ARG 9 HD3 ARG 9 7.941 5.485 9.663 53 HE ARG 9 HE ARG 9 9.637 7.639 10.248 54 HH11 ARG 9 HH11 ARG 9 6.339 7.002 8.968 55 HH12 ARG 9 HH12 ARG 9 5.732 8.500 9.641 56 HH21 ARG 9 HH21 ARG 9 8.719 9.658 10.981 57 HH22 ARG 9 HH22 ARG 9 7.015 9.932 10.741 58 H ARG 10 H ARG 10 10.857 1.182 10.124 59 HA ARG 10 HA ARG 10 9.459 -0.662 8.586 60 HB2 ARG 10 HB2 ARG 10 11.111 -2.223 9.075 61 HB3 ARG 10 HB3 ARG 10 11.931 -0.700 9.376 62 HG2 ARG 10 HG2 ARG 10 11.487 -1.019 11.792 63 HG3 ARG 10 HG3 ARG 10 10.762 -2.598 11.446 64 HD2 ARG 10 HD2 ARG 10 12.799 -3.573 10.956 65 HD3 ARG 10 HD3 ARG 10 13.575 -2.032 10.552 66 HE ARG 10 HE ARG 10 14.294 -1.874 12.690 67 HH11 ARG 10 HH11 ARG 10 11.227 -3.830 12.988 68 HH12 ARG 10 HH12 ARG 10 11.270 -3.698 14.689 69 HH21 ARG 10 HH21 ARG 10 14.219 -1.761 14.838 70 HH22 ARG 10 HH22 ARG 10 12.940 -2.451 15.805 71 H LEU 11 H LEU 11 9.463 -0.656 12.207 72 HA LEU 11 HA LEU 11 7.556 -2.734 12.292 73 HB2 LEU 11 HB2 LEU 11 7.413 -2.386 14.622 74 HB3 LEU 11 HB3 LEU 11 9.068 -2.142 14.098 75 HG LEU 11 HG LEU 11 8.306 0.437 14.081 76 HD11 LEU 11 HD11 LEU 11 6.839 0.954 15.991 77 HD12 LEU 11 HD12 LEU 11 6.550 -0.776 16.266 78 HD13 LEU 11 HD13 LEU 11 5.941 0.010 14.803 79 HD21 LEU 11 HD21 LEU 11 9.023 -1.069 16.627 80 HD22 LEU 11 HD22 LEU 11 9.285 0.655 16.285 81 HD23 LEU 11 HD23 LEU 11 10.174 -0.554 15.367 82 H SER 12 H SER 12 7.018 0.765 12.055 83 HA SER 12 HA SER 12 4.231 0.588 12.724 84 HB2 SER 12 HB2 SER 12 5.640 2.642 12.902 85 HB3 SER 12 HB3 SER 12 5.705 2.724 11.126 86 HG SER 12 HG SER 12 4.016 3.977 11.693 87 H ILE 13 H ILE 13 5.977 0.900 9.588 88 HA ILE 13 HA ILE 13 3.817 0.772 7.855 89 HB ILE 13 HB ILE 13 6.750 0.024 7.617 90 HG12 ILE 13 HG12 ILE 13 5.150 2.350 6.431 91 HG13 ILE 13 HG13 ILE 13 5.978 2.445 7.981 92 HG21 ILE 13 HG21 ILE 13 6.377 0.063 5.108 93 HG22 ILE 13 HG22 ILE 13 5.724 -1.326 5.957 94 HG23 ILE 13 HG23 ILE 13 4.636 -0.012 5.475 95 HD11 ILE 13 HD11 ILE 13 7.402 3.454 6.353 96 HD12 ILE 13 HD12 ILE 13 8.144 1.912 6.829 97 HD13 ILE 13 HD13 ILE 13 7.294 2.056 5.277 98 H GLN 14 H GLN 14 5.757 -2.010 9.153 99 HA GLN 14 HA GLN 14 4.501 -4.060 7.791 100 HB2 GLN 14 HB2 GLN 14 5.570 -3.886 10.613 101 HB3 GLN 14 HB3 GLN 14 4.966 -5.395 9.943 102 HG2 GLN 14 HG2 GLN 14 7.189 -3.792 8.632 103 HG3 GLN 14 HG3 GLN 14 7.481 -5.033 9.847 104 HE21 GLN 14 HE21 GLN 14 7.393 -7.303 9.171 105 HE22 GLN 14 HE22 GLN 14 7.258 -7.636 7.458 106 H ARG 15 H ARG 15 3.072 -2.217 10.545 107 HA ARG 15 HA ARG 15 0.974 -4.065 11.103 108 HB2 ARG 15 HB2 ARG 15 0.891 -1.014 11.328 109 HB3 ARG 15 HB3 ARG 15 -0.266 -2.135 12.042 110 HG2 ARG 15 HG2 ARG 15 1.538 -3.173 13.382 111 HG3 ARG 15 HG3 ARG 15 2.701 -2.018 12.725 112 HD2 ARG 15 HD2 ARG 15 0.222 -1.167 14.256 113 HD3 ARG 15 HD3 ARG 15 1.775 -1.521 15.034 114 HE ARG 15 HE ARG 15 2.018 0.352 12.841 115 HH11 ARG 15 HH11 ARG 15 0.836 0.243 16.226 116 HH12 ARG 15 HH12 ARG 15 1.296 1.896 16.539 117 HH21 ARG 15 HH21 ARG 15 2.595 2.489 13.305 118 HH22 ARG 15 HH22 ARG 15 1.958 3.231 14.724 119 H ALA 16 H ALA 16 1.183 -1.433 8.697 120 HA ALA 16 HA ALA 16 -1.544 -1.747 7.725 121 HB1 ALA 16 HB1 ALA 16 -0.304 0.372 7.447 122 HB2 ALA 16 HB2 ALA 16 0.909 -0.466 6.460 123 HB3 ALA 16 HB3 ALA 16 -0.763 -0.318 5.879 124 H ILE 17 H ILE 17 1.700 -3.012 6.857 125 HA ILE 17 HA ILE 17 0.841 -4.171 4.390 126 HB ILE 17 HB ILE 17 3.315 -4.648 6.065 127 HG12 ILE 17 HG12 ILE 17 2.637 -2.994 3.574 128 HG13 ILE 17 HG13 ILE 17 3.047 -2.362 5.163 129 HG21 ILE 17 HG21 ILE 17 4.268 -5.811 4.160 130 HG22 ILE 17 HG22 ILE 17 2.780 -6.625 4.606 131 HG23 ILE 17 HG23 ILE 17 2.791 -5.539 3.201 132 HD11 ILE 17 HD11 ILE 17 4.961 -2.104 3.786 133 HD12 ILE 17 HD12 ILE 17 5.318 -3.433 4.921 134 HD13 ILE 17 HD13 ILE 17 4.883 -3.763 3.225 135 H GLN 18 H GLN 18 1.050 -5.576 7.711 136 HA GLN 18 HA GLN 18 0.429 -8.215 6.975 137 HB2 GLN 18 HB2 GLN 18 -0.306 -6.585 9.442 138 HB3 GLN 18 HB3 GLN 18 -0.773 -8.277 9.288 139 HG2 GLN 18 HG2 GLN 18 2.076 -7.261 9.206 140 HG3 GLN 18 HG3 GLN 18 1.288 -7.946 10.617 141 HE21 GLN 18 HE21 GLN 18 0.917 -10.276 10.716 142 HE22 GLN 18 HE22 GLN 18 1.650 -11.334 9.543 143 H SER 19 H SER 19 -1.781 -5.437 7.212 144 HA SER 19 HA SER 19 -4.156 -7.142 6.848 145 HB2 SER 19 HB2 SER 19 -5.244 -4.791 6.857 146 HB3 SER 19 HB3 SER 19 -4.604 -5.458 8.347 147 HG SER 19 HG SER 19 -4.039 -3.177 7.730 148 H LEU 20 H LEU 20 -2.127 -4.881 4.973 149 HA LEU 20 HA LEU 20 -3.787 -4.763 2.680 150 HB2 LEU 20 HB2 LEU 20 -1.995 -3.142 3.188 151 HB3 LEU 20 HB3 LEU 20 -0.787 -4.421 3.052 152 HG LEU 20 HG LEU 20 -1.261 -4.656 0.647 153 HD11 LEU 20 HD11 LEU 20 -3.093 -2.232 1.048 154 HD12 LEU 20 HD12 LEU 20 -3.626 -3.868 0.590 155 HD13 LEU 20 HD13 LEU 20 -2.616 -2.935 -0.513 156 HD21 LEU 20 HD21 LEU 20 -0.613 -1.805 1.501 157 HD22 LEU 20 HD22 LEU 20 -0.158 -2.597 -0.031 158 HD23 LEU 20 HD23 LEU 20 0.524 -3.171 1.487 159 H VAL 21 H VAL 21 -0.939 -6.854 3.389 160 HA VAL 21 HA VAL 21 -0.903 -8.269 0.919 161 HB VAL 21 HB VAL 21 -0.020 -9.026 3.742 162 HG11 VAL 21 HG11 VAL 21 1.437 -10.736 2.691 163 HG12 VAL 21 HG12 VAL 21 -0.268 -11.107 2.461 164 HG13 VAL 21 HG13 VAL 21 0.674 -10.425 1.119 165 HG21 VAL 21 HG21 VAL 21 1.150 -7.054 2.585 166 HG22 VAL 21 HG22 VAL 21 2.186 -8.395 3.108 167 HG23 VAL 21 HG23 VAL 21 1.754 -8.231 1.407 168 H HIS 22 H HIS 22 -2.392 -9.039 4.086 169 HA HIS 22 HA HIS 22 -3.622 -11.429 3.477 170 HB2 HIS 22 HB2 HIS 22 -3.404 -10.639 5.715 171 HB3 HIS 22 HB3 HIS 22 -4.509 -9.288 5.398 172 HD1 HIS 22 HD1 HIS 22 -4.584 -13.143 5.848 173 HD2 HIS 22 HD2 HIS 22 -7.107 -9.835 5.148 174 HE1 HIS 22 HE1 HIS 22 -6.976 -13.997 5.950 175 H ALA 23 H ALA 23 -5.036 -8.110 3.147 176 HA ALA 23 HA ALA 23 -7.540 -8.878 2.194 177 HB1 ALA 23 HB1 ALA 23 -6.859 -6.639 2.951 178 HB2 ALA 23 HB2 ALA 23 -5.905 -6.430 1.455 179 HB3 ALA 23 HB3 ALA 23 -7.680 -6.585 1.370 180 H ALA 24 H ALA 24 -4.489 -9.041 0.465 181 HA ALA 24 HA ALA 24 -5.872 -9.112 -2.180 182 HB1 ALA 24 HB1 ALA 24 -3.815 -7.886 -2.196 183 HB2 ALA 24 HB2 ALA 24 -2.915 -9.231 -1.451 184 HB3 ALA 24 HB3 ALA 24 -3.575 -9.384 -3.092 185 H GLN 25 H GLN 25 -3.879 -11.204 -0.057 186 HA GLN 25 HA GLN 25 -4.216 -13.522 -1.745 187 HB2 GLN 25 HB2 GLN 25 -3.265 -14.828 0.104 188 HB3 GLN 25 HB3 GLN 25 -2.309 -13.385 -0.242 189 HG2 GLN 25 HG2 GLN 25 -3.155 -12.247 1.657 190 HG3 GLN 25 HG3 GLN 25 -4.402 -13.454 1.985 191 HE21 GLN 25 HE21 GLN 25 -3.764 -15.548 2.828 192 HE22 GLN 25 HE22 GLN 25 -2.135 -15.821 3.424 193 H CYS 26 H CYS 26 -6.357 -12.150 0.554 194 HA CYS 26 HA CYS 26 -7.743 -14.375 1.557 195 HB2 CYS 26 HB2 CYS 26 -7.843 -12.159 2.496 196 HB3 CYS 26 HB3 CYS 26 -8.568 -11.506 1.033 197 H ARG 27 H ARG 27 -8.241 -15.913 -0.075 198 HA ARG 27 HA ARG 27 -10.643 -15.303 -1.610 199 HB2 ARG 27 HB2 ARG 27 -8.138 -16.276 -3.078 200 HB3 ARG 27 HB3 ARG 27 -9.788 -16.349 -3.687 201 HG2 ARG 27 HG2 ARG 27 -9.892 -13.819 -3.490 202 HG3 ARG 27 HG3 ARG 27 -8.137 -13.866 -3.170 203 HD2 ARG 27 HD2 ARG 27 -7.834 -15.091 -5.323 204 HD3 ARG 27 HD3 ARG 27 -9.565 -14.928 -5.651 205 HE ARG 27 HE ARG 27 -8.480 -12.369 -5.084 206 HH11 ARG 27 HH11 ARG 27 -8.086 -14.818 -7.646 207 HH12 ARG 27 HH12 ARG 27 -7.883 -13.631 -8.886 208 HH21 ARG 27 HH21 ARG 27 -8.181 -10.888 -6.645 209 HH22 ARG 27 HH22 ARG 27 -7.828 -11.266 -8.302 210 H ASN 28 H ASN 28 -11.266 -16.681 0.205 211 HA ASN 28 HA ASN 28 -11.586 -19.376 -0.586 212 HB2 ASN 28 HB2 ASN 28 -9.171 -19.534 0.290 213 HB3 ASN 28 HB3 ASN 28 -9.801 -19.052 1.870 214 HD21 ASN 28 HD21 ASN 28 -9.465 -21.081 2.933 215 HD22 ASN 28 HD22 ASN 28 -10.316 -22.533 2.453 216 H ALA 29 H ALA 29 -13.284 -20.311 0.675 217 HA ALA 29 HA ALA 29 -14.894 -18.556 2.107 218 HB1 ALA 29 HB1 ALA 29 -15.711 -20.609 1.033 219 HB2 ALA 29 HB2 ALA 29 -14.838 -21.603 2.230 220 HB3 ALA 29 HB3 ALA 29 -16.187 -20.574 2.738 221 H ASN 30 H ASN 30 -12.303 -20.561 3.325 222 HA ASN 30 HA ASN 30 -13.099 -20.469 6.122 223 HB2 ASN 30 HB2 ASN 30 -11.785 -22.325 5.118 224 HB3 ASN 30 HB3 ASN 30 -10.483 -21.182 4.769 225 HD21 ASN 30 HD21 ASN 30 -8.837 -21.151 6.213 226 HD22 ASN 30 HD22 ASN 30 -8.991 -21.602 7.909 227 H CYS 31 H CYS 31 -11.529 -18.157 4.045 228 HA CYS 31 HA CYS 31 -9.897 -16.956 6.187 229 HB2 CYS 31 HB2 CYS 31 -9.138 -16.944 3.791 230 HB3 CYS 31 HB3 CYS 31 -10.587 -15.990 3.372 231 H SER 32 H SER 32 -10.977 -15.808 7.721 232 HA SER 32 HA SER 32 -13.184 -14.013 6.907 233 HB2 SER 32 HB2 SER 32 -13.460 -15.666 9.414 234 HB3 SER 32 HB3 SER 32 -14.690 -14.760 8.532 235 HG SER 32 HG SER 32 -14.640 -16.332 6.918 236 H LEU 33 H LEU 33 -11.874 -12.170 7.229 237 HA LEU 33 HA LEU 33 -10.929 -11.776 10.043 238 HB2 LEU 33 HB2 LEU 33 -9.387 -11.538 7.541 239 HB3 LEU 33 HB3 LEU 33 -9.351 -10.078 8.525 240 HG LEU 33 HG LEU 33 -8.716 -11.641 10.506 241 HD11 LEU 33 HD11 LEU 33 -7.992 -13.405 8.120 242 HD12 LEU 33 HD12 LEU 33 -9.169 -13.804 9.388 243 HD13 LEU 33 HD13 LEU 33 -7.453 -13.671 9.792 244 HD21 LEU 33 HD21 LEU 33 -7.195 -9.997 9.501 245 HD22 LEU 33 HD22 LEU 33 -6.789 -11.143 8.201 246 HD23 LEU 33 HD23 LEU 33 -6.334 -11.497 9.872 247 HA PRO 34 HA PRO 34 -13.594 -8.241 9.752 248 HB2 PRO 34 HB2 PRO 34 -12.790 -6.748 11.868 249 HB3 PRO 34 HB3 PRO 34 -13.663 -8.294 12.047 250 HG2 PRO 34 HG2 PRO 34 -10.675 -7.808 12.236 251 HG3 PRO 34 HG3 PRO 34 -11.725 -8.747 13.338 252 HD2 PRO 34 HD2 PRO 34 -10.257 -9.946 11.383 253 HD3 PRO 34 HD3 PRO 34 -11.878 -10.542 11.846 254 H SER 35 H SER 35 -10.060 -7.624 10.080 255 HA SER 35 HA SER 35 -10.251 -4.970 8.944 256 HB2 SER 35 HB2 SER 35 -7.831 -6.795 9.191 257 HB3 SER 35 HB3 SER 35 -7.818 -5.043 8.920 258 HG SER 35 HG SER 35 -8.243 -6.498 11.230 259 H CYS 36 H CYS 36 -9.728 -8.223 7.621 260 HA CYS 36 HA CYS 36 -8.655 -7.711 5.125 261 HB2 CYS 36 HB2 CYS 36 -9.060 -9.929 6.199 262 HB3 CYS 36 HB3 CYS 36 -10.788 -9.792 5.860 263 H GLN 37 H GLN 37 -12.104 -8.193 5.776 264 HA GLN 37 HA GLN 37 -13.133 -7.488 3.288 265 HB2 GLN 37 HB2 GLN 37 -15.293 -7.198 4.513 266 HB3 GLN 37 HB3 GLN 37 -14.428 -8.684 4.887 267 HG2 GLN 37 HG2 GLN 37 -13.501 -7.544 6.954 268 HG3 GLN 37 HG3 GLN 37 -14.585 -6.193 6.623 269 HE21 GLN 37 HE21 GLN 37 -14.236 -9.378 7.913 270 HE22 GLN 37 HE22 GLN 37 -15.854 -9.469 8.595 271 H LYS 38 H LYS 38 -12.497 -5.306 6.094 272 HA LYS 38 HA LYS 38 -13.516 -2.996 4.726 273 HB2 LYS 38 HB2 LYS 38 -11.567 -3.189 7.060 274 HB3 LYS 38 HB3 LYS 38 -12.381 -1.712 6.502 275 HG2 LYS 38 HG2 LYS 38 -14.564 -2.540 7.113 276 HG3 LYS 38 HG3 LYS 38 -13.936 -4.163 7.398 277 HD2 LYS 38 HD2 LYS 38 -14.205 -3.342 9.550 278 HD3 LYS 38 HD3 LYS 38 -12.487 -3.215 9.240 279 HE2 LYS 38 HE2 LYS 38 -12.727 -1.155 10.083 280 HE3 LYS 38 HE3 LYS 38 -13.219 -0.712 8.444 281 HZ1 LYS 38 HZ1 LYS 38 -15.197 -1.608 10.451 282 HZ2 LYS 38 HZ2 LYS 38 -15.475 -0.644 9.163 283 HZ3 LYS 38 HZ3 LYS 38 -14.661 -0.094 10.508 284 H MET 39 H MET 39 -10.160 -4.336 5.039 285 HA MET 39 HA MET 39 -8.851 -2.271 3.563 286 HB2 MET 39 HB2 MET 39 -8.245 -5.228 3.941 287 HB3 MET 39 HB3 MET 39 -7.208 -4.174 2.974 288 HG2 MET 39 HG2 MET 39 -7.809 -3.842 5.904 289 HG3 MET 39 HG3 MET 39 -6.368 -4.542 5.207 290 HE1 MET 39 HE1 MET 39 -5.006 -2.980 3.205 291 HE2 MET 39 HE2 MET 39 -4.166 -1.710 4.117 292 HE3 MET 39 HE3 MET 39 -4.287 -3.322 4.804 293 H LYS 40 H LYS 40 -10.652 -5.157 2.533 294 HA LYS 40 HA LYS 40 -9.888 -5.387 -0.126 295 HB2 LYS 40 HB2 LYS 40 -11.972 -6.416 1.535 296 HB3 LYS 40 HB3 LYS 40 -12.790 -5.686 0.181 297 HG2 LYS 40 HG2 LYS 40 -12.540 -7.756 -0.649 298 HG3 LYS 40 HG3 LYS 40 -11.002 -7.103 -1.227 299 HD2 LYS 40 HD2 LYS 40 -9.898 -8.061 0.834 300 HD3 LYS 40 HD3 LYS 40 -11.449 -8.728 1.338 301 HE2 LYS 40 HE2 LYS 40 -9.910 -9.473 -1.190 302 HE3 LYS 40 HE3 LYS 40 -10.036 -10.437 0.285 303 HZ1 LYS 40 HZ1 LYS 40 -12.303 -9.757 -1.482 304 HZ2 LYS 40 HZ2 LYS 40 -12.379 -10.693 -0.100 305 HZ3 LYS 40 HZ3 LYS 40 -11.559 -11.201 -1.416 306 H ARG 41 H ARG 41 -12.107 -2.962 1.327 307 HA ARG 41 HA ARG 41 -13.111 -1.915 -1.099 308 HB2 ARG 41 HB2 ARG 41 -13.778 -1.472 1.396 309 HB3 ARG 41 HB3 ARG 41 -12.547 -0.215 1.339 310 HG2 ARG 41 HG2 ARG 41 -13.767 0.754 -0.673 311 HG3 ARG 41 HG3 ARG 41 -15.024 -0.463 -0.416 312 HD2 ARG 41 HD2 ARG 41 -15.812 1.483 0.677 313 HD3 ARG 41 HD3 ARG 41 -15.199 0.411 1.951 314 HE ARG 41 HE ARG 41 -13.517 2.594 0.805 315 HH11 ARG 41 HH11 ARG 41 -15.131 1.226 3.687 316 HH12 ARG 41 HH12 ARG 41 -14.185 2.156 4.801 317 HH21 ARG 41 HH21 ARG 41 -12.362 3.868 2.348 318 HH22 ARG 41 HH22 ARG 41 -12.838 3.905 4.001 319 H VAL 42 H VAL 42 -10.210 -0.984 0.820 320 HA VAL 42 HA VAL 42 -9.389 1.147 -0.872 321 HB VAL 42 HB VAL 42 -7.468 -0.553 0.759 322 HG11 VAL 42 HG11 VAL 42 -7.650 2.460 0.284 323 HG12 VAL 42 HG12 VAL 42 -6.334 1.581 1.100 324 HG13 VAL 42 HG13 VAL 42 -6.605 1.358 -0.632 325 HG21 VAL 42 HG21 VAL 42 -9.294 -0.194 2.339 326 HG22 VAL 42 HG22 VAL 42 -7.990 0.914 2.736 327 HG23 VAL 42 HG23 VAL 42 -9.421 1.516 1.881 328 H VAL 43 H VAL 43 -8.625 -2.391 -0.862 329 HA VAL 43 HA VAL 43 -6.861 -2.208 -3.060 330 HB VAL 43 HB VAL 43 -8.502 -4.627 -2.203 331 HG11 VAL 43 HG11 VAL 43 -5.947 -4.370 -3.867 332 HG12 VAL 43 HG12 VAL 43 -6.570 -5.898 -3.211 333 HG13 VAL 43 HG13 VAL 43 -7.517 -5.009 -4.407 334 HG21 VAL 43 HG21 VAL 43 -6.443 -5.274 -0.945 335 HG22 VAL 43 HG22 VAL 43 -5.708 -3.706 -1.363 336 HG23 VAL 43 HG23 VAL 43 -7.132 -3.781 -0.317 337 H GLN 44 H GLN 44 -10.384 -2.377 -2.931 338 HA GLN 44 HA GLN 44 -10.796 -2.830 -5.765 339 HB2 GLN 44 HB2 GLN 44 -12.574 -1.804 -3.514 340 HB3 GLN 44 HB3 GLN 44 -13.137 -1.958 -5.151 341 HG2 GLN 44 HG2 GLN 44 -12.901 -4.326 -5.142 342 HG3 GLN 44 HG3 GLN 44 -11.949 -4.335 -3.676 343 HE21 GLN 44 HE21 GLN 44 -13.070 -4.731 -1.826 344 HE22 GLN 44 HE22 GLN 44 -14.765 -4.491 -1.521 345 H HIS 45 H HIS 45 -10.111 0.084 -3.798 346 HA HIS 45 HA HIS 45 -11.245 2.004 -5.587 347 HB2 HIS 45 HB2 HIS 45 -10.654 2.777 -3.419 348 HB3 HIS 45 HB3 HIS 45 -9.014 2.166 -3.543 349 HD1 HIS 45 HD1 HIS 45 -11.115 5.106 -4.824 350 HD2 HIS 45 HD2 HIS 45 -7.162 3.705 -4.543 351 HE1 HIS 45 HE1 HIS 45 -9.573 7.059 -5.489 352 H THR 46 H THR 46 -7.778 0.875 -5.250 353 HA THR 46 HA THR 46 -6.880 2.312 -7.424 354 HB THR 46 HB THR 46 -5.336 1.390 -5.950 355 HG1 THR 46 HG1 THR 46 -4.256 1.509 -7.749 356 HG21 THR 46 HG21 THR 46 -6.206 -1.386 -6.786 357 HG22 THR 46 HG22 THR 46 -6.425 -0.638 -5.181 358 HG23 THR 46 HG23 THR 46 -4.807 -1.014 -5.754 359 H LYS 47 H LYS 47 -8.597 -0.789 -7.508 360 HA LYS 47 HA LYS 47 -8.038 -1.497 -10.196 361 HB2 LYS 47 HB2 LYS 47 -9.230 -2.893 -8.391 362 HB3 LYS 47 HB3 LYS 47 -10.693 -1.998 -8.775 363 HG2 LYS 47 HG2 LYS 47 -9.588 -2.961 -11.275 364 HG3 LYS 47 HG3 LYS 47 -9.473 -4.265 -10.112 365 HD2 LYS 47 HD2 LYS 47 -11.543 -4.479 -11.325 366 HD3 LYS 47 HD3 LYS 47 -11.883 -4.099 -9.644 367 HE2 LYS 47 HE2 LYS 47 -13.410 -2.892 -11.096 368 HE3 LYS 47 HE3 LYS 47 -12.381 -1.757 -10.228 369 HZ1 LYS 47 HZ1 LYS 47 -11.991 -2.585 -13.062 370 HZ2 LYS 47 HZ2 LYS 47 -11.066 -1.487 -12.251 371 HZ3 LYS 47 HZ3 LYS 47 -12.635 -1.189 -12.576 372 H GLY 48 H GLY 48 -10.424 0.826 -8.884 373 HA2 GLY 48 HA2 GLY 48 -11.567 1.278 -11.605 374 HA3 GLY 48 HA3 GLY 48 -12.262 1.788 -10.066 375 H CYS 49 H CYS 49 -9.442 2.699 -9.202 376 HA CYS 49 HA CYS 49 -9.723 5.420 -10.185 377 HB2 CYS 49 HB2 CYS 49 -8.941 4.369 -7.789 378 HB3 CYS 49 HB3 CYS 49 -7.357 4.634 -8.578 379 H LYS 50 H LYS 50 -9.355 5.221 -12.347 380 HA LYS 50 HA LYS 50 -6.707 4.234 -13.276 381 HB2 LYS 50 HB2 LYS 50 -9.059 5.231 -14.901 382 HB3 LYS 50 HB3 LYS 50 -7.591 4.473 -15.519 383 HG2 LYS 50 HG2 LYS 50 -9.690 3.137 -13.762 384 HG3 LYS 50 HG3 LYS 50 -9.455 2.893 -15.479 385 HD2 LYS 50 HD2 LYS 50 -7.383 2.106 -13.383 386 HD3 LYS 50 HD3 LYS 50 -8.612 1.045 -14.080 387 HE2 LYS 50 HE2 LYS 50 -7.755 1.672 -16.379 388 HE3 LYS 50 HE3 LYS 50 -6.388 2.470 -15.614 389 HZ1 LYS 50 HZ1 LYS 50 -7.029 -0.379 -15.137 390 HZ2 LYS 50 HZ2 LYS 50 -5.578 0.372 -14.880 391 HZ3 LYS 50 HZ3 LYS 50 -6.121 0.096 -16.391 392 H ARG 51 H ARG 51 -7.517 6.978 -11.763 393 HA ARG 51 HA ARG 51 -6.730 9.099 -13.399 394 HB2 ARG 51 HB2 ARG 51 -6.156 8.741 -10.418 395 HB3 ARG 51 HB3 ARG 51 -6.058 10.246 -11.334 396 HG2 ARG 51 HG2 ARG 51 -8.576 9.659 -11.932 397 HG3 ARG 51 HG3 ARG 51 -8.498 8.684 -10.471 398 HD2 ARG 51 HD2 ARG 51 -7.850 10.655 -9.146 399 HD3 ARG 51 HD3 ARG 51 -7.715 11.622 -10.621 400 HE ARG 51 HE ARG 51 -10.372 10.471 -10.184 401 HH11 ARG 51 HH11 ARG 51 -8.315 13.412 -9.918 402 HH12 ARG 51 HH12 ARG 51 -9.681 14.444 -9.737 403 HH21 ARG 51 HH21 ARG 51 -12.132 11.910 -9.617 404 HH22 ARG 51 HH22 ARG 51 -11.751 13.569 -9.267 405 H LYS 52 H LYS 52 -4.748 6.705 -11.754 406 HA LYS 52 HA LYS 52 -2.183 7.716 -12.028 407 HB2 LYS 52 HB2 LYS 52 -1.422 5.376 -11.986 408 HB3 LYS 52 HB3 LYS 52 -2.646 5.738 -10.766 409 HG2 LYS 52 HG2 LYS 52 -4.349 4.569 -11.937 410 HG3 LYS 52 HG3 LYS 52 -3.385 4.421 -13.410 411 HD2 LYS 52 HD2 LYS 52 -1.953 2.795 -12.500 412 HD3 LYS 52 HD3 LYS 52 -2.335 3.182 -10.848 413 HE2 LYS 52 HE2 LYS 52 -4.288 1.898 -12.830 414 HE3 LYS 52 HE3 LYS 52 -3.310 1.025 -11.650 415 HZ1 LYS 52 HZ1 LYS 52 -5.412 2.989 -10.926 416 HZ2 LYS 52 HZ2 LYS 52 -4.424 2.212 -9.893 417 HZ3 LYS 52 HZ3 LYS 52 -5.517 1.360 -10.772 418 H THR 53 H THR 53 -4.115 6.644 -14.805 419 HA THR 53 HA THR 53 -1.852 6.086 -16.455 420 HB THR 53 HB THR 53 -4.530 7.223 -17.351 421 HG1 THR 53 HG1 THR 53 -4.108 4.469 -17.057 422 HG21 THR 53 HG21 THR 53 -4.205 5.789 -19.316 423 HG22 THR 53 HG22 THR 53 -2.667 5.180 -18.656 424 HG23 THR 53 HG23 THR 53 -2.831 6.880 -19.129 425 H ASN 54 H ASN 54 -3.945 9.023 -16.288 426 HA ASN 54 HA ASN 54 -2.010 10.650 -17.689 427 HB2 ASN 54 HB2 ASN 54 -4.524 10.846 -17.835 428 HB3 ASN 54 HB3 ASN 54 -4.507 11.476 -16.157 429 HD21 ASN 54 HD21 ASN 54 -5.247 13.593 -16.723 430 HD22 ASN 54 HD22 ASN 54 -4.263 14.676 -17.701 431 H GLY 55 H GLY 55 -3.279 10.678 -14.290 432 HA2 GLY 55 HA2 GLY 55 -1.018 12.504 -13.519 433 HA3 GLY 55 HA3 GLY 55 -2.650 12.631 -12.887 434 H GLY 56 H GLY 56 -3.301 11.293 -11.247 435 HA2 GLY 56 HA2 GLY 56 -2.400 8.776 -10.446 436 HA3 GLY 56 HA3 GLY 56 -1.208 9.889 -9.798 437 H CYS 57 H CYS 57 -3.752 8.121 -8.924 438 HA CYS 57 HA CYS 57 -5.416 9.921 -7.501 439 HB2 CYS 57 HB2 CYS 57 -5.174 7.236 -6.381 440 HB3 CYS 57 HB3 CYS 57 -6.583 8.075 -7.082 441 HA PRO 58 HA PRO 58 -2.773 10.547 -3.960 442 HB2 PRO 58 HB2 PRO 58 -4.564 10.925 -1.890 443 HB3 PRO 58 HB3 PRO 58 -4.247 12.122 -3.183 444 HG2 PRO 58 HG2 PRO 58 -6.447 10.050 -3.068 445 HG3 PRO 58 HG3 PRO 58 -6.610 11.799 -3.428 446 HD2 PRO 58 HD2 PRO 58 -6.511 10.000 -5.434 447 HD3 PRO 58 HD3 PRO 58 -5.583 11.521 -5.577 448 H ILE 59 H ILE 59 -5.525 8.360 -2.893 449 HA ILE 59 HA ILE 59 -4.086 6.960 -1.012 450 HB ILE 59 HB ILE 59 -6.399 6.097 -2.803 451 HG12 ILE 59 HG12 ILE 59 -7.656 6.136 -0.591 452 HG13 ILE 59 HG13 ILE 59 -6.242 6.880 0.150 453 HG21 ILE 59 HG21 ILE 59 -6.827 4.167 -1.398 454 HG22 ILE 59 HG22 ILE 59 -5.213 4.020 -2.075 455 HG23 ILE 59 HG23 ILE 59 -5.400 4.515 -0.403 456 HD11 ILE 59 HD11 ILE 59 -7.688 8.012 -2.259 457 HD12 ILE 59 HD12 ILE 59 -8.101 8.425 -0.564 458 HD13 ILE 59 HD13 ILE 59 -6.515 8.854 -1.185 459 H CYS 60 H CYS 60 -4.495 6.145 -4.486 460 HA CYS 60 HA CYS 60 -2.877 3.863 -4.525 461 HB2 CYS 60 HB2 CYS 60 -3.363 5.834 -6.797 462 HB3 CYS 60 HB3 CYS 60 -2.895 4.156 -6.888 463 H LYS 61 H LYS 61 -1.859 7.302 -4.747 464 HA LYS 61 HA LYS 61 0.815 6.677 -5.665 465 HB2 LYS 61 HB2 LYS 61 -0.657 9.107 -4.924 466 HB3 LYS 61 HB3 LYS 61 0.830 9.069 -4.049 467 HG2 LYS 61 HG2 LYS 61 1.954 9.825 -5.794 468 HG3 LYS 61 HG3 LYS 61 1.564 8.380 -6.717 469 HD2 LYS 61 HD2 LYS 61 -0.574 9.462 -7.466 470 HD3 LYS 61 HD3 LYS 61 -0.167 10.887 -6.514 471 HE2 LYS 61 HE2 LYS 61 0.385 11.332 -8.820 472 HE3 LYS 61 HE3 LYS 61 1.868 11.262 -7.876 473 HZ1 LYS 61 HZ1 LYS 61 0.881 9.028 -9.527 474 HZ2 LYS 61 HZ2 LYS 61 2.317 9.091 -8.728 475 HZ3 LYS 61 HZ3 LYS 61 2.064 10.109 -9.972 476 H GLN 62 H GLN 62 -0.525 7.449 -2.415 477 HA GLN 62 HA GLN 62 1.900 6.963 -1.041 478 HB2 GLN 62 HB2 GLN 62 -0.875 6.482 0.073 479 HB3 GLN 62 HB3 GLN 62 0.582 6.853 0.983 480 HG2 GLN 62 HG2 GLN 62 -1.039 8.732 -0.764 481 HG3 GLN 62 HG3 GLN 62 -0.855 8.776 0.978 482 HE21 GLN 62 HE21 GLN 62 -0.428 11.070 -0.658 483 HE22 GLN 62 HE22 GLN 62 1.251 11.466 -0.544 484 H LEU 63 H LEU 63 -0.349 4.628 -2.386 485 HA LEU 63 HA LEU 63 0.334 2.435 -0.691 486 HB2 LEU 63 HB2 LEU 63 -1.675 2.660 -2.260 487 HB3 LEU 63 HB3 LEU 63 -0.583 2.311 -3.592 488 HG LEU 63 HG LEU 63 -0.120 0.075 -2.714 489 HD11 LEU 63 HD11 LEU 63 -1.486 -0.765 -0.741 490 HD12 LEU 63 HD12 LEU 63 -1.875 0.926 -0.359 491 HD13 LEU 63 HD13 LEU 63 -0.193 0.347 -0.304 492 HD21 LEU 63 HD21 LEU 63 -2.143 0.466 -4.102 493 HD22 LEU 63 HD22 LEU 63 -3.095 0.730 -2.643 494 HD23 LEU 63 HD23 LEU 63 -2.375 -0.874 -2.973 495 H ILE 64 H ILE 64 1.814 3.747 -3.611 496 HA ILE 64 HA ILE 64 3.446 1.589 -4.359 497 HB ILE 64 HB ILE 64 3.903 4.580 -4.690 498 HG12 ILE 64 HG12 ILE 64 2.734 2.593 -6.695 499 HG13 ILE 64 HG13 ILE 64 1.738 3.571 -5.628 500 HG21 ILE 64 HG21 ILE 64 5.146 2.243 -6.217 501 HG22 ILE 64 HG22 ILE 64 5.325 3.956 -6.648 502 HG23 ILE 64 HG23 ILE 64 6.000 3.370 -5.147 503 HD11 ILE 64 HD11 ILE 64 1.770 4.666 -7.711 504 HD12 ILE 64 HD12 ILE 64 2.739 5.644 -6.592 505 HD13 ILE 64 HD13 ILE 64 3.534 4.623 -7.816 506 H ALA 65 H ALA 65 3.839 3.989 -1.802 507 HA ALA 65 HA ALA 65 6.599 3.687 -1.220 508 HB1 ALA 65 HB1 ALA 65 6.055 4.706 0.908 509 HB2 ALA 65 HB2 ALA 65 5.002 5.448 -0.321 510 HB3 ALA 65 HB3 ALA 65 4.353 4.227 0.775 511 H LEU 66 H LEU 66 3.745 1.952 -0.012 512 HA LEU 66 HA LEU 66 5.239 0.237 1.819 513 HB2 LEU 66 HB2 LEU 66 2.381 0.765 1.093 514 HB3 LEU 66 HB3 LEU 66 2.734 -0.881 1.607 515 HG LEU 66 HG LEU 66 3.648 -0.281 3.641 516 HD11 LEU 66 HD11 LEU 66 3.335 2.632 2.815 517 HD12 LEU 66 HD12 LEU 66 4.842 1.791 3.210 518 HD13 LEU 66 HD13 LEU 66 3.687 2.074 4.482 519 HD21 LEU 66 HD21 LEU 66 1.287 -0.593 3.559 520 HD22 LEU 66 HD22 LEU 66 1.012 1.056 2.999 521 HD23 LEU 66 HD23 LEU 66 1.592 0.752 4.662 522 H ALA 67 H ALA 67 3.830 -0.107 -1.421 523 HA ALA 67 HA ALA 67 4.180 -2.899 -1.653 524 HB1 ALA 67 HB1 ALA 67 2.935 -1.490 -3.243 525 HB2 ALA 67 HB2 ALA 67 4.445 -0.731 -3.793 526 HB3 ALA 67 HB3 ALA 67 4.178 -2.462 -4.077 527 H ALA 68 H ALA 68 6.425 -0.239 -2.498 528 HA ALA 68 HA ALA 68 8.593 -1.894 -3.317 529 HB1 ALA 68 HB1 ALA 68 8.761 0.901 -2.125 530 HB2 ALA 68 HB2 ALA 68 9.875 0.142 -3.289 531 HB3 ALA 68 HB3 ALA 68 8.232 0.572 -3.792 532 H TYR 69 H TYR 69 7.863 -0.369 -0.158 533 HA TYR 69 HA TYR 69 10.205 -1.185 1.169 534 HB2 TYR 69 HB2 TYR 69 8.805 0.434 2.220 535 HB3 TYR 69 HB3 TYR 69 7.382 -0.592 2.103 536 HD1 TYR 69 HD1 TYR 69 10.245 0.278 4.209 537 HD2 TYR 69 HD2 TYR 69 7.198 -2.668 3.451 538 HE1 TYR 69 HE1 TYR 69 10.633 -0.725 6.458 539 HE2 TYR 69 HE2 TYR 69 7.608 -3.716 5.599 540 HH TYR 69 HH TYR 69 9.439 -3.910 7.316 541 H HIS 70 H HIS 70 7.130 -2.994 0.583 542 HA HIS 70 HA HIS 70 8.076 -5.269 2.094 543 HB2 HIS 70 HB2 HIS 70 5.863 -5.345 2.172 544 HB3 HIS 70 HB3 HIS 70 5.632 -4.459 0.674 545 HD1 HIS 70 HD1 HIS 70 5.118 -7.918 1.959 546 HD2 HIS 70 HD2 HIS 70 5.978 -5.951 -1.675 547 HE1 HIS 70 HE1 HIS 70 4.355 -9.450 0.082 548 H ALA 71 H ALA 71 8.165 -4.283 -1.368 549 HA ALA 71 HA ALA 71 8.946 -6.777 -2.459 550 HB1 ALA 71 HB1 ALA 71 8.255 -4.800 -3.787 551 HB2 ALA 71 HB2 ALA 71 9.820 -4.036 -3.399 552 HB3 ALA 71 HB3 ALA 71 9.775 -5.547 -4.326 553 H LYS 72 H LYS 72 10.798 -4.377 -0.625 554 HA LYS 72 HA LYS 72 13.370 -5.277 -1.356 555 HB2 LYS 72 HB2 LYS 72 14.179 -3.840 0.222 556 HB3 LYS 72 HB3 LYS 72 12.545 -3.191 0.093 557 HG2 LYS 72 HG2 LYS 72 12.037 -4.815 2.110 558 HG3 LYS 72 HG3 LYS 72 13.788 -4.882 2.284 559 HD2 LYS 72 HD2 LYS 72 12.116 -2.341 2.399 560 HD3 LYS 72 HD3 LYS 72 12.712 -3.237 3.794 561 HE2 LYS 72 HE2 LYS 72 14.920 -2.769 2.001 562 HE3 LYS 72 HE3 LYS 72 14.039 -1.245 2.205 563 HZ1 LYS 72 HZ1 LYS 72 15.763 -1.471 3.817 564 HZ2 LYS 72 HZ2 LYS 72 15.228 -2.905 4.321 565 HZ3 LYS 72 HZ3 LYS 72 14.309 -1.540 4.619 566 H HIS 73 H HIS 73 10.967 -6.966 0.323 567 HA HIS 73 HA HIS 73 12.858 -8.944 1.485 568 HB2 HIS 73 HB2 HIS 73 10.051 -8.257 2.458 569 HB3 HIS 73 HB3 HIS 73 11.149 -9.443 3.155 570 HD1 HIS 73 HD1 HIS 73 9.931 -6.413 4.341 571 HD2 HIS 73 HD2 HIS 73 13.795 -7.738 3.319 572 HE1 HIS 73 HE1 HIS 73 11.581 -4.844 5.515 573 H CYS 74 H CYS 74 9.671 -8.357 -0.036 574 HA CYS 74 HA CYS 74 9.146 -11.101 -0.660 575 HB2 CYS 74 HB2 CYS 74 7.535 -9.120 -0.111 576 HB3 CYS 74 HB3 CYS 74 7.821 -8.620 -1.777 577 H GLN 75 H GLN 75 10.415 -12.084 -2.110 578 HA GLN 75 HA GLN 75 10.520 -11.053 -4.883 579 HB2 GLN 75 HB2 GLN 75 12.882 -11.795 -5.057 580 HB3 GLN 75 HB3 GLN 75 12.653 -10.387 -4.038 581 HG2 GLN 75 HG2 GLN 75 12.770 -11.891 -2.013 582 HG3 GLN 75 HG3 GLN 75 13.172 -13.228 -3.090 583 HE21 GLN 75 HE21 GLN 75 14.715 -12.359 -0.915 584 HE22 GLN 75 HE22 GLN 75 16.260 -11.858 -1.504 585 H GLU 76 H GLU 76 8.688 -12.500 -5.196 586 HA GLU 76 HA GLU 76 9.564 -15.366 -5.198 587 HB2 GLU 76 HB2 GLU 76 7.099 -15.840 -4.678 588 HB3 GLU 76 HB3 GLU 76 8.219 -15.435 -3.378 589 HG2 GLU 76 HG2 GLU 76 7.278 -13.147 -3.306 590 HG3 GLU 76 HG3 GLU 76 6.204 -13.577 -4.651 591 H ASN 77 H ASN 77 7.985 -16.671 -6.503 592 HA ASN 77 HA ASN 77 8.189 -15.832 -9.234 593 HB2 ASN 77 HB2 ASN 77 6.745 -18.130 -7.873 594 HB3 ASN 77 HB3 ASN 77 6.651 -17.845 -9.613 595 HD21 ASN 77 HD21 ASN 77 8.035 -19.267 -10.666 596 HD22 ASN 77 HD22 ASN 77 9.720 -19.481 -10.172 597 H LYS 78 H LYS 78 5.381 -15.917 -6.952 598 HA LYS 78 HA LYS 78 3.989 -13.992 -8.747 599 HB2 LYS 78 HB2 LYS 78 3.136 -16.285 -9.088 600 HB3 LYS 78 HB3 LYS 78 2.677 -16.366 -7.392 601 HG2 LYS 78 HG2 LYS 78 1.661 -13.925 -8.740 602 HG3 LYS 78 HG3 LYS 78 1.150 -15.383 -9.564 603 HD2 LYS 78 HD2 LYS 78 0.753 -14.922 -6.601 604 HD3 LYS 78 HD3 LYS 78 -0.428 -14.474 -7.813 605 HE2 LYS 78 HE2 LYS 78 0.609 -17.331 -7.456 606 HE3 LYS 78 HE3 LYS 78 -0.796 -16.683 -6.614 607 HZ1 LYS 78 HZ1 LYS 78 -1.691 -17.710 -8.461 608 HZ2 LYS 78 HZ2 LYS 78 -0.537 -17.168 -9.498 609 HZ3 LYS 78 HZ3 LYS 78 -1.695 -16.146 -8.885 610 H CYS 79 H CYS 79 4.915 -12.367 -7.351 611 HA CYS 79 HA CYS 79 4.642 -12.133 -4.627 612 HB2 CYS 79 HB2 CYS 79 4.982 -10.281 -6.897 613 HB3 CYS 79 HB3 CYS 79 4.141 -9.544 -5.565 614 HA PRO 80 HA PRO 80 0.278 -11.974 -3.970 615 HB2 PRO 80 HB2 PRO 80 0.150 -11.172 -1.349 616 HB3 PRO 80 HB3 PRO 80 0.761 -12.777 -1.860 617 HG2 PRO 80 HG2 PRO 80 2.363 -10.288 -1.196 618 HG3 PRO 80 HG3 PRO 80 2.585 -11.963 -0.611 619 HD2 PRO 80 HD2 PRO 80 3.999 -10.930 -2.737 620 HD3 PRO 80 HD3 PRO 80 3.517 -12.650 -2.674 621 H VAL 81 H VAL 81 2.030 -8.939 -2.896 622 HA VAL 81 HA VAL 81 -0.437 -7.434 -2.896 623 HB VAL 81 HB VAL 81 2.487 -6.618 -2.639 624 HG11 VAL 81 HG11 VAL 81 1.245 -4.707 -3.593 625 HG12 VAL 81 HG12 VAL 81 0.013 -4.865 -2.315 626 HG13 VAL 81 HG13 VAL 81 1.680 -4.414 -1.913 627 HG21 VAL 81 HG21 VAL 81 1.865 -6.213 -0.310 628 HG22 VAL 81 HG22 VAL 81 0.220 -6.795 -0.637 629 HG23 VAL 81 HG23 VAL 81 1.613 -7.896 -0.772 630 HA PRO 82 HA PRO 82 -0.450 -7.208 -7.327 631 HB2 PRO 82 HB2 PRO 82 -2.190 -5.087 -7.751 632 HB3 PRO 82 HB3 PRO 82 -2.658 -6.750 -7.299 633 HG2 PRO 82 HG2 PRO 82 -2.344 -4.345 -5.492 634 HG3 PRO 82 HG3 PRO 82 -3.668 -5.548 -5.516 635 HD2 PRO 82 HD2 PRO 82 -1.599 -5.674 -3.743 636 HD3 PRO 82 HD3 PRO 82 -2.339 -7.157 -4.410 637 H PHE 83 H PHE 83 0.572 -4.540 -5.359 638 HA PHE 83 HA PHE 83 1.611 -2.964 -7.615 639 HB2 PHE 83 HB2 PHE 83 1.350 -2.561 -4.635 640 HB3 PHE 83 HB3 PHE 83 2.511 -1.631 -5.558 641 HD1 PHE 83 HD1 PHE 83 -1.077 -2.627 -6.266 642 HD2 PHE 83 HD2 PHE 83 1.836 0.534 -5.859 643 HE1 PHE 83 HE1 PHE 83 -2.791 -0.964 -6.850 644 HE2 PHE 83 HE2 PHE 83 0.085 2.205 -6.461 645 HZ PHE 83 HZ PHE 83 -2.232 1.460 -6.843 646 H CYS 84 H CYS 84 2.981 -5.087 -4.938 647 HA CYS 84 HA CYS 84 5.666 -4.304 -5.590 648 HB2 CYS 84 HB2 CYS 84 6.359 -6.051 -4.149 649 HB3 CYS 84 HB3 CYS 84 4.976 -5.210 -3.414 650 H LEU 85 H LEU 85 3.455 -6.706 -6.706 651 HA LEU 85 HA LEU 85 5.090 -8.363 -8.272 652 HB2 LEU 85 HB2 LEU 85 2.782 -8.851 -7.814 653 HB3 LEU 85 HB3 LEU 85 2.218 -7.385 -8.606 654 HG LEU 85 HG LEU 85 3.864 -9.092 -10.374 655 HD11 LEU 85 HD11 LEU 85 1.221 -10.149 -9.320 656 HD12 LEU 85 HD12 LEU 85 2.820 -10.905 -9.127 657 HD13 LEU 85 HD13 LEU 85 2.083 -10.771 -10.744 658 HD21 LEU 85 HD21 LEU 85 2.596 -7.190 -11.230 659 HD22 LEU 85 HD22 LEU 85 1.073 -7.900 -10.648 660 HD23 LEU 85 HD23 LEU 85 1.994 -8.701 -11.940 661 H ASN 86 H ASN 86 3.905 -5.155 -8.860 662 HA ASN 86 HA ASN 86 4.826 -4.989 -11.659 663 HB2 ASN 86 HB2 ASN 86 3.960 -2.713 -9.817 664 HB3 ASN 86 HB3 ASN 86 4.273 -2.600 -11.536 665 HD21 ASN 86 HD21 ASN 86 2.921 -4.966 -12.481 666 HD22 ASN 86 HD22 ASN 86 1.219 -4.782 -12.143 667 H ILE 87 H ILE 87 6.141 -4.259 -8.455 668 HA ILE 87 HA ILE 87 8.249 -2.515 -9.343 669 HB ILE 87 HB ILE 87 7.760 -3.993 -6.720 670 HG12 ILE 87 HG12 ILE 87 7.658 -1.071 -7.638 671 HG13 ILE 87 HG13 ILE 87 6.250 -2.112 -7.469 672 HG21 ILE 87 HG21 ILE 87 9.586 -2.691 -5.715 673 HG22 ILE 87 HG22 ILE 87 10.210 -3.767 -6.937 674 HG23 ILE 87 HG23 ILE 87 10.029 -2.044 -7.317 675 HD11 ILE 87 HD11 ILE 87 8.016 -1.082 -5.289 676 HD12 ILE 87 HD12 ILE 87 6.309 -0.717 -5.566 677 HD13 ILE 87 HD13 ILE 87 6.784 -2.349 -5.026 678 H LYS 88 H LYS 88 8.059 -6.090 -8.974 679 HA LYS 88 HA LYS 88 10.798 -6.588 -9.221 680 HB2 LYS 88 HB2 LYS 88 10.308 -8.770 -9.919 681 HB3 LYS 88 HB3 LYS 88 9.003 -8.281 -8.829 682 HG2 LYS 88 HG2 LYS 88 7.783 -7.630 -11.086 683 HG3 LYS 88 HG3 LYS 88 8.976 -8.664 -11.853 684 HD2 LYS 88 HD2 LYS 88 7.176 -9.535 -9.555 685 HD3 LYS 88 HD3 LYS 88 6.803 -9.793 -11.268 686 HE2 LYS 88 HE2 LYS 88 8.956 -11.047 -11.530 687 HE3 LYS 88 HE3 LYS 88 9.272 -10.834 -9.803 688 HZ1 LYS 88 HZ1 LYS 88 6.978 -12.330 -10.934 689 HZ2 LYS 88 HZ2 LYS 88 7.270 -12.050 -9.336 690 HZ3 LYS 88 HZ3 LYS 88 8.322 -12.958 -10.197 691 H GLN 89 H GLN 89 8.558 -5.615 -11.753 692 HA GLN 89 HA GLN 89 10.142 -6.183 -14.024 693 HB2 GLN 89 HB2 GLN 89 8.120 -3.931 -13.652 694 HB3 GLN 89 HB3 GLN 89 8.643 -4.628 -15.176 695 HG2 GLN 89 HG2 GLN 89 7.684 -6.840 -14.480 696 HG3 GLN 89 HG3 GLN 89 7.069 -6.101 -13.000 697 HE21 GLN 89 HE21 GLN 89 5.657 -7.392 -15.385 698 HE22 GLN 89 HE22 GLN 89 4.451 -6.229 -15.839 699 H LYS 90 H LYS 90 10.521 -3.737 -11.576 700 HA LYS 90 HA LYS 90 12.505 -2.198 -13.166 701 HB2 LYS 90 HB2 LYS 90 10.944 -1.508 -10.633 702 HB3 LYS 90 HB3 LYS 90 12.131 -0.464 -11.378 703 HG2 LYS 90 HG2 LYS 90 9.490 -1.348 -12.631 704 HG3 LYS 90 HG3 LYS 90 9.826 0.219 -11.914 705 HD2 LYS 90 HD2 LYS 90 11.134 -0.904 -14.421 706 HD3 LYS 90 HD3 LYS 90 9.875 0.337 -14.339 707 HE2 LYS 90 HE2 LYS 90 11.384 1.850 -13.127 708 HE3 LYS 90 HE3 LYS 90 12.644 0.616 -13.115 709 HZ1 LYS 90 HZ1 LYS 90 12.645 0.730 -15.553 710 HZ2 LYS 90 HZ2 LYS 90 13.069 2.158 -14.862 711 HZ3 LYS 90 HZ3 LYS 90 11.579 1.961 -15.526 712 H GLY 91 H GLY 91 12.404 -4.726 -10.884 713 HA2 GLY 91 HA2 GLY 91 14.022 -5.696 -9.648 714 HA3 GLY 91 HA3 GLY 91 15.208 -4.619 -10.397 715 H THR 92 H THR 92 16.243 -3.411 -8.962 716 HA THR 92 HA THR 92 16.902 -2.387 -7.159 717 HB THR 92 HB THR 92 15.738 -0.579 -8.176 718 HG1 THR 92 HG1 THR 92 15.619 -0.758 -5.392 719 HG21 THR 92 HG21 THR 92 13.350 -1.328 -6.448 720 HG22 THR 92 HG22 THR 92 13.406 -1.163 -8.222 721 HG23 THR 92 HG23 THR 92 13.598 0.269 -7.191 722 H ILE 93 H ILE 93 15.765 -5.020 -6.655 723 HA ILE 93 HA ILE 93 14.414 -5.046 -4.153 724 HB ILE 93 HB ILE 93 16.277 -7.054 -5.492 725 HG12 ILE 93 HG12 ILE 93 14.258 -6.560 -6.826 726 HG13 ILE 93 HG13 ILE 93 14.285 -8.207 -6.237 727 HG21 ILE 93 HG21 ILE 93 14.502 -7.386 -3.059 728 HG22 ILE 93 HG22 ILE 93 15.122 -8.754 -4.012 729 HG23 ILE 93 HG23 ILE 93 16.246 -7.676 -3.186 730 HD11 ILE 93 HD11 ILE 93 12.628 -5.966 -4.985 731 HD12 ILE 93 HD12 ILE 93 12.035 -7.167 -6.131 732 HD13 ILE 93 HD13 ILE 93 12.602 -7.693 -4.542 733 H GLU 94 H GLU 94 17.859 -4.766 -5.004 734 HA GLU 94 HA GLU 94 18.474 -4.143 -2.160 735 HB2 GLU 94 HB2 GLU 94 20.534 -5.152 -4.092 736 HB3 GLU 94 HB3 GLU 94 20.516 -5.171 -2.343 737 HG2 GLU 94 HG2 GLU 94 20.188 -7.358 -2.750 738 HG3 GLU 94 HG3 GLU 94 18.495 -6.884 -2.708 739 H GLY 95 H GLY 95 18.054 -1.881 -2.399 740 HA2 GLY 95 HA2 GLY 95 20.150 -0.228 -2.985 741 HA3 GLY 95 HA3 GLY 95 19.244 -0.301 -4.504 742 H ARG 96 H ARG 96 17.468 0.919 -4.715 743 HA ARG 96 HA ARG 96 16.595 2.571 -2.423 744 HB2 ARG 96 HB2 ARG 96 15.733 4.108 -4.090 745 HB3 ARG 96 HB3 ARG 96 17.449 3.746 -4.281 746 HG2 ARG 96 HG2 ARG 96 16.923 2.200 -6.136 747 HG3 ARG 96 HG3 ARG 96 15.197 2.571 -5.967 748 HD2 ARG 96 HD2 ARG 96 15.565 4.871 -6.593 749 HD3 ARG 96 HD3 ARG 96 17.329 4.678 -6.515 750 HE ARG 96 HE ARG 96 16.849 2.826 -8.285 751 HH11 ARG 96 HH11 ARG 96 15.896 6.247 -8.243 752 HH12 ARG 96 HH12 ARG 96 15.461 6.285 -9.928 753 HH21 ARG 96 HH21 ARG 96 16.098 2.825 -10.461 754 HH22 ARG 96 HH22 ARG 96 15.844 4.329 -11.263 755 H GLY 97 H GLY 97 15.646 -0.225 -2.727 756 HA2 GLY 97 HA2 GLY 97 12.933 -0.269 -3.606 757 HA3 GLY 97 HA3 GLY 97 13.671 -1.388 -2.449 758 H ASN 98 H ASN 98 14.368 1.288 -0.888 759 HA ASN 98 HA ASN 98 11.699 1.846 0.244 760 HB2 ASN 98 HB2 ASN 98 12.545 0.221 1.805 761 HB3 ASN 98 HB3 ASN 98 14.114 1.059 1.910 762 HD21 ASN 98 HD21 ASN 98 14.034 1.796 4.149 763 HD22 ASN 98 HD22 ASN 98 12.783 2.882 4.680 764 H GLU 99 H GLU 99 11.994 3.609 -1.229 765 HA GLU 99 HA GLU 99 13.512 5.830 -0.037 766 HB2 GLU 99 HB2 GLU 99 14.980 4.710 -1.721 767 HB3 GLU 99 HB3 GLU 99 13.765 5.035 -2.972 768 HG2 GLU 99 HG2 GLU 99 14.068 7.438 -2.702 769 HG3 GLU 99 HG3 GLU 99 14.981 7.188 -1.215 770 H PHE 100 H PHE 100 10.911 5.712 0.481 771 HA PHE 100 HA PHE 100 9.764 7.709 -1.390 772 HB2 PHE 100 HB2 PHE 100 8.924 5.380 -1.891 773 HB3 PHE 100 HB3 PHE 100 8.162 5.372 -0.309 774 HD1 PHE 100 HD1 PHE 100 7.667 5.996 -3.715 775 HD2 PHE 100 HD2 PHE 100 6.618 7.742 0.135 776 HE1 PHE 100 HE1 PHE 100 5.656 7.020 -4.706 777 HE2 PHE 100 HE2 PHE 100 4.661 8.782 -0.921 778 HZ PHE 100 HZ PHE 100 4.146 8.396 -3.316 779 H LEU 101 H LEU 101 9.385 9.446 -0.205 780 HA LEU 101 HA LEU 101 8.712 9.134 2.682 781 HB2 LEU 101 HB2 LEU 101 9.858 11.533 1.192 782 HB3 LEU 101 HB3 LEU 101 9.457 11.466 2.904 783 HG LEU 101 HG LEU 101 11.677 9.967 1.452 784 HD11 LEU 101 HD11 LEU 101 12.148 12.290 2.068 785 HD12 LEU 101 HD12 LEU 101 13.116 11.164 3.071 786 HD13 LEU 101 HD13 LEU 101 11.691 11.964 3.750 787 HD21 LEU 101 HD21 LEU 101 10.859 8.324 3.018 788 HD22 LEU 101 HD22 LEU 101 10.707 9.529 4.303 789 HD23 LEU 101 HD23 LEU 101 12.307 9.031 3.718 790 H SER 102 H SER 102 6.778 9.908 3.320 791 HA SER 102 HA SER 102 5.013 11.309 1.361 792 HB2 SER 102 HB2 SER 102 3.171 9.784 2.216 793 HB3 SER 102 HB3 SER 102 4.411 8.964 1.251 794 HG SER 102 HG SER 102 4.469 9.118 4.077 795 HA PRO 103 HA PRO 103 3.956 13.708 4.996 796 HB2 PRO 103 HB2 PRO 103 1.520 14.769 4.338 797 HB3 PRO 103 HB3 PRO 103 2.991 15.193 3.418 798 HG2 PRO 103 HG2 PRO 103 0.961 13.044 2.748 799 HG3 PRO 103 HG3 PRO 103 1.524 14.370 1.688 800 HD2 PRO 103 HD2 PRO 103 2.612 11.888 1.568 801 HD3 PRO 103 HD3 PRO 103 3.655 13.336 1.426 802 H GLU 104 H GLU 104 1.707 13.992 6.488 803 HA GLU 104 HA GLU 104 1.310 11.409 7.679 804 HB2 GLU 104 HB2 GLU 104 -0.321 12.442 9.085 805 HB3 GLU 104 HB3 GLU 104 1.138 13.433 9.012 806 HG2 GLU 104 HG2 GLU 104 0.129 15.037 7.585 807 HG3 GLU 104 HG3 GLU 104 -1.265 14.022 7.227 808 H VAL 105 H VAL 105 -0.119 12.762 4.881 809 HA VAL 105 HA VAL 105 -2.675 11.670 4.932 810 HB VAL 105 HB VAL 105 -0.919 11.967 2.475 811 HG11 VAL 105 HG11 VAL 105 -2.968 10.734 1.952 812 HG12 VAL 105 HG12 VAL 105 -3.949 11.959 2.784 813 HG13 VAL 105 HG13 VAL 105 -3.078 12.366 1.296 814 HG21 VAL 105 HG21 VAL 105 -2.762 13.989 3.844 815 HG22 VAL 105 HG22 VAL 105 -0.992 14.106 3.750 816 HG23 VAL 105 HG23 VAL 105 -1.961 14.229 2.277 817 H PHE 106 H PHE 106 0.392 10.025 4.682 818 HA PHE 106 HA PHE 106 -0.398 7.581 3.494 819 HB2 PHE 106 HB2 PHE 106 1.923 8.004 3.881 820 HB3 PHE 106 HB3 PHE 106 1.667 8.338 5.597 821 HD1 PHE 106 HD1 PHE 106 1.092 5.560 3.129 822 HD2 PHE 106 HD2 PHE 106 2.150 6.630 7.171 823 HE1 PHE 106 HE1 PHE 106 1.313 3.174 3.717 824 HE2 PHE 106 HE2 PHE 106 2.417 4.240 7.739 825 HZ PHE 106 HZ PHE 106 2.049 2.485 5.992 826 H GLN 107 H GLN 107 -0.796 8.808 6.840 827 HA GLN 107 HA GLN 107 -1.772 6.277 7.904 828 HB2 GLN 107 HB2 GLN 107 -1.814 9.129 8.979 829 HB3 GLN 107 HB3 GLN 107 -2.326 7.703 9.884 830 HG2 GLN 107 HG2 GLN 107 -0.122 6.802 9.961 831 HG3 GLN 107 HG3 GLN 107 0.476 7.882 8.711 832 HE21 GLN 107 HE21 GLN 107 -1.211 8.246 11.953 833 HE22 GLN 107 HE22 GLN 107 -0.147 9.524 12.475 834 H HIS 108 H HIS 108 -3.105 9.218 6.447 835 HA HIS 108 HA HIS 108 -5.758 8.963 7.280 836 HB2 HIS 108 HB2 HIS 108 -4.831 10.060 4.618 837 HB3 HIS 108 HB3 HIS 108 -6.391 10.292 5.383 838 HD1 HIS 108 HD1 HIS 108 -5.325 12.973 4.837 839 HD2 HIS 108 HD2 HIS 108 -3.883 10.695 8.092 840 HE1 HIS 108 HE1 HIS 108 -4.074 14.567 6.360 841 H ILE 109 H ILE 109 -4.062 7.087 4.795 842 HA ILE 109 HA ILE 109 -6.427 6.125 3.465 843 HB ILE 109 HB ILE 109 -3.684 4.848 3.735 844 HG12 ILE 109 HG12 ILE 109 -4.173 5.638 1.053 845 HG13 ILE 109 HG13 ILE 109 -4.863 6.954 1.997 846 HG21 ILE 109 HG21 ILE 109 -5.910 4.064 1.812 847 HG22 ILE 109 HG22 ILE 109 -4.274 3.382 1.896 848 HG23 ILE 109 HG23 ILE 109 -5.389 3.113 3.218 849 HD11 ILE 109 HD11 ILE 109 -2.601 7.483 1.529 850 HD12 ILE 109 HD12 ILE 109 -2.680 7.037 3.245 851 HD13 ILE 109 HD13 ILE 109 -2.028 5.883 2.079 852 H TRP 110 H TRP 110 -4.687 5.173 6.463 853 HA TRP 110 HA TRP 110 -6.402 2.854 6.739 854 HB2 TRP 110 HB2 TRP 110 -4.535 3.911 8.844 855 HB3 TRP 110 HB3 TRP 110 -5.091 2.255 8.553 856 HD1 TRP 110 HD1 TRP 110 -2.174 4.241 8.161 857 HE1 TRP 110 HE1 TRP 110 -0.597 3.536 6.291 858 HE3 TRP 110 HE3 TRP 110 -5.372 1.218 5.589 859 HZ2 TRP 110 HZ2 TRP 110 -0.794 2.011 3.828 860 HZ3 TRP 110 HZ3 TRP 110 -4.722 0.317 3.404 861 HH2 TRP 110 HH2 TRP 110 -2.432 0.695 2.494 862 H ASP 111 H ASP 111 -6.418 6.177 7.740 863 HA ASP 111 HA ASP 111 -8.228 5.890 9.960 864 HB2 ASP 111 HB2 ASP 111 -7.685 8.292 8.155 865 HB3 ASP 111 HB3 ASP 111 -8.680 8.334 9.599 866 H PHE 112 H PHE 112 -8.680 6.918 6.556 867 HA PHE 112 HA PHE 112 -11.554 6.930 6.772 868 HB2 PHE 112 HB2 PHE 112 -11.583 7.914 4.761 869 HB3 PHE 112 HB3 PHE 112 -9.868 8.154 5.035 870 HD1 PHE 112 HD1 PHE 112 -12.333 6.846 2.774 871 HD2 PHE 112 HD2 PHE 112 -8.387 6.134 4.267 872 HE1 PHE 112 HE1 PHE 112 -11.933 5.179 0.983 873 HE2 PHE 112 HE2 PHE 112 -7.971 4.480 2.458 874 HZ PHE 112 HZ PHE 112 -9.784 3.910 0.905 875 H LEU 113 H LEU 113 -9.355 4.298 6.379 876 HA LEU 113 HA LEU 113 -10.877 2.639 4.686 877 HB2 LEU 113 HB2 LEU 113 -9.465 0.969 5.147 878 HB3 LEU 113 HB3 LEU 113 -8.509 2.269 5.777 879 HG LEU 113 HG LEU 113 -9.463 1.639 8.114 880 HD11 LEU 113 HD11 LEU 113 -11.253 0.032 7.501 881 HD12 LEU 113 HD12 LEU 113 -9.986 -0.824 8.329 882 HD13 LEU 113 HD13 LEU 113 -10.095 -0.926 6.553 883 HD21 LEU 113 HD21 LEU 113 -7.634 -0.191 6.493 884 HD22 LEU 113 HD22 LEU 113 -7.808 -0.307 8.261 885 HD23 LEU 113 HD23 LEU 113 -7.160 1.149 7.552 886 H GLU 114 H GLU 114 -11.244 3.475 8.042 887 HA GLU 114 HA GLU 114 -13.712 1.832 8.243 888 HB2 GLU 114 HB2 GLU 114 -13.246 1.745 10.643 889 HB3 GLU 114 HB3 GLU 114 -11.961 1.032 9.668 890 HG2 GLU 114 HG2 GLU 114 -10.651 3.194 9.938 891 HG3 GLU 114 HG3 GLU 114 -11.912 3.755 11.049 892 H GLN 115 H GLN 115 -12.460 5.181 8.783 893 HA GLN 115 HA GLN 115 -14.773 5.994 10.257 894 HB2 GLN 115 HB2 GLN 115 -12.732 7.513 8.575 895 HB3 GLN 115 HB3 GLN 115 -14.046 8.338 9.384 896 HG2 GLN 115 HG2 GLN 115 -11.892 6.685 10.723 897 HG3 GLN 115 HG3 GLN 115 -12.033 8.444 10.760 898 HE21 GLN 115 HE21 GLN 115 -12.457 5.818 12.703 899 HE22 GLN 115 HE22 GLN 115 -13.969 6.253 13.508 900 HA PRO 116 HA PRO 116 -17.829 6.358 7.075 901 HB2 PRO 116 HB2 PRO 116 -19.520 8.273 7.997 902 HB3 PRO 116 HB3 PRO 116 -19.267 6.733 8.868 903 HG2 PRO 116 HG2 PRO 116 -17.932 9.396 9.432 904 HG3 PRO 116 HG3 PRO 116 -18.772 8.308 10.584 905 HD2 PRO 116 HD2 PRO 116 -16.076 8.255 10.236 906 HD3 PRO 116 HD3 PRO 116 -16.998 6.767 10.572 907 H ILE 117 H ILE 117 -15.946 7.086 5.716 908 HA ILE 117 HA ILE 117 -16.347 9.855 4.660 909 HB ILE 117 HB ILE 117 -13.797 8.223 4.961 910 HG12 ILE 117 HG12 ILE 117 -14.538 10.935 6.159 911 HG13 ILE 117 HG13 ILE 117 -14.628 9.413 7.036 912 HG21 ILE 117 HG21 ILE 117 -12.606 10.152 3.929 913 HG22 ILE 117 HG22 ILE 117 -13.748 9.451 2.804 914 HG23 ILE 117 HG23 ILE 117 -14.165 10.959 3.645 915 HD11 ILE 117 HD11 ILE 117 -12.630 10.526 7.695 916 HD12 ILE 117 HD12 ILE 117 -12.176 9.103 6.751 917 HD13 ILE 117 HD13 ILE 117 -12.088 10.725 6.022 918 H SER 118 H SER 118 -16.401 10.012 2.415 919 HA SER 118 HA SER 118 -16.210 7.659 0.713 920 HB2 SER 118 HB2 SER 118 -18.597 7.817 1.650 921 HB3 SER 118 HB3 SER 118 -18.742 9.355 0.787 922 HG SER 118 HG SER 118 -19.016 8.251 -1.022 923 H SER 119 H SER 119 -17.073 8.908 -1.621 924 HA SER 119 HA SER 119 -16.320 10.298 -3.250 925 HB2 SER 119 HB2 SER 119 -17.676 11.830 -1.608 926 HB3 SER 119 HB3 SER 119 -16.106 12.525 -1.195 927 HG SER 119 HG SER 119 -15.871 13.233 -3.227 928 H VAL 120 H VAL 120 -14.430 8.646 -2.479 929 HA VAL 120 HA VAL 120 -12.033 9.960 -1.536 930 HB VAL 120 HB VAL 120 -12.329 7.178 -2.717 931 HG11 VAL 120 HG11 VAL 120 -10.348 8.467 -0.783 932 HG12 VAL 120 HG12 VAL 120 -10.393 6.744 -1.157 933 HG13 VAL 120 HG13 VAL 120 -9.991 7.897 -2.429 934 HG21 VAL 120 HG21 VAL 120 -13.986 7.490 -0.833 935 HG22 VAL 120 HG22 VAL 120 -12.722 6.354 -0.498 936 HG23 VAL 120 HG23 VAL 120 -12.639 7.989 0.212 937 H GLN 121 H GLN 121 -11.969 11.676 -3.117 938 HA GLN 121 HA GLN 121 -10.525 10.951 -5.581 939 HB2 GLN 121 HB2 GLN 121 -12.783 13.004 -5.481 940 HB3 GLN 121 HB3 GLN 121 -11.769 12.557 -6.855 941 HG2 GLN 121 HG2 GLN 121 -12.751 10.155 -6.508 942 HG3 GLN 121 HG3 GLN 121 -14.023 10.984 -5.596 943 HE21 GLN 121 HE21 GLN 121 -15.094 12.929 -6.873 944 HE22 GLN 121 HE22 GLN 121 -15.230 12.741 -8.599 945 HA PRO 122 HA PRO 122 -8.084 14.122 -3.663 946 HB2 PRO 122 HB2 PRO 122 -6.588 15.100 -5.733 947 HB3 PRO 122 HB3 PRO 122 -6.300 13.512 -4.998 948 HG2 PRO 122 HG2 PRO 122 -7.845 14.168 -7.517 949 HG3 PRO 122 HG3 PRO 122 -6.645 12.863 -7.278 950 HD2 PRO 122 HD2 PRO 122 -9.350 12.426 -7.142 951 HD3 PRO 122 HD3 PRO 122 -8.205 11.528 -6.109 952 H ILE 123 H ILE 123 -8.490 16.173 -3.135 953 HA ILE 123 HA ILE 123 -9.742 18.059 -5.025 954 HB ILE 123 HB ILE 123 -11.288 18.762 -3.219 955 HG12 ILE 123 HG12 ILE 123 -10.572 16.164 -1.795 956 HG13 ILE 123 HG13 ILE 123 -10.031 17.769 -1.289 957 HG21 ILE 123 HG21 ILE 123 -12.952 17.064 -3.687 958 HG22 ILE 123 HG22 ILE 123 -11.910 17.208 -5.109 959 HG23 ILE 123 HG23 ILE 123 -11.691 15.847 -3.988 960 HD11 ILE 123 HD11 ILE 123 -11.949 17.105 0.022 961 HD12 ILE 123 HD12 ILE 123 -12.379 18.487 -0.997 962 HD13 ILE 123 HD13 ILE 123 -12.929 16.845 -1.422 963 H ASP 124 H ASP 124 -7.469 17.357 -2.568 964 HA ASP 124 HA ASP 124 -6.456 20.103 -2.546 965 HB2 ASP 124 HB2 ASP 124 -8.020 19.810 -0.555 966 HB3 ASP 124 HB3 ASP 124 -6.933 18.554 0.042 Start of MODEL 16 1 H1 ALA 1 H ALA 1 25.666 -3.336 6.839 2 HA ALA 1 HA ALA 1 24.573 -1.916 4.488 3 HB1 ALA 1 HB1 ALA 1 23.093 -3.750 5.167 4 HB2 ALA 1 HB2 ALA 1 23.103 -3.170 6.845 5 HB3 ALA 1 HB3 ALA 1 22.344 -2.193 5.569 6 H THR 2 H THR 2 24.477 0.270 4.643 7 HA THR 2 HA THR 2 24.511 1.560 7.296 8 HB THR 2 HB THR 2 26.108 2.415 4.849 9 HG1 THR 2 HG1 THR 2 27.060 0.584 5.723 10 HG21 THR 2 HG21 THR 2 25.445 4.259 6.359 11 HG22 THR 2 HG22 THR 2 27.186 3.960 6.445 12 HG23 THR 2 HG23 THR 2 26.124 3.384 7.750 13 H GLN 3 H GLN 3 22.427 1.968 7.237 14 HA GLN 3 HA GLN 3 21.209 3.698 5.212 15 HB2 GLN 3 HB2 GLN 3 19.115 2.290 5.310 16 HB3 GLN 3 HB3 GLN 3 20.443 1.522 4.450 17 HG2 GLN 3 HG2 GLN 3 20.924 0.042 6.312 18 HG3 GLN 3 HG3 GLN 3 19.855 0.949 7.382 19 HE21 GLN 3 HE21 GLN 3 19.857 -1.104 4.417 20 HE22 GLN 3 HE22 GLN 3 18.219 -1.705 4.654 21 H SER 4 H SER 4 19.020 4.557 6.281 22 HA SER 4 HA SER 4 19.656 5.652 8.820 23 HB2 SER 4 HB2 SER 4 16.862 5.309 7.660 24 HB3 SER 4 HB3 SER 4 17.477 6.644 8.647 25 HG SER 4 HG SER 4 18.763 7.286 6.901 26 HA PRO 5 HA PRO 5 18.026 2.378 11.427 27 HB2 PRO 5 HB2 PRO 5 17.199 3.666 13.672 28 HB3 PRO 5 HB3 PRO 5 18.914 3.491 13.219 29 HG2 PRO 5 HG2 PRO 5 17.118 5.879 12.840 30 HG3 PRO 5 HG3 PRO 5 18.813 5.860 13.404 31 HD2 PRO 5 HD2 PRO 5 18.060 6.411 10.799 32 HD3 PRO 5 HD3 PRO 5 19.624 5.664 11.220 33 H GLY 6 H GLY 6 16.343 1.660 10.204 34 HA2 GLY 6 HA2 GLY 6 13.702 3.049 10.225 35 HA3 GLY 6 HA3 GLY 6 14.251 1.874 9.024 36 H ASP 7 H ASP 7 15.016 1.200 12.370 37 HA ASP 7 HA ASP 7 13.592 -1.313 12.371 38 HB2 ASP 7 HB2 ASP 7 14.597 -1.619 14.458 39 HB3 ASP 7 HB3 ASP 7 15.824 -0.902 13.406 40 H SER 8 H SER 8 13.099 1.947 13.358 41 HA SER 8 HA SER 8 10.877 1.658 15.161 42 HB2 SER 8 HB2 SER 8 10.960 4.234 14.612 43 HB3 SER 8 HB3 SER 8 12.335 3.523 15.459 44 HG SER 8 HG SER 8 13.461 4.320 13.909 45 H ARG 9 H ARG 9 11.411 3.017 11.926 46 HA ARG 9 HA ARG 9 8.807 3.304 11.080 47 HB2 ARG 9 HB2 ARG 9 11.207 3.846 9.929 48 HB3 ARG 9 HB3 ARG 9 10.728 2.451 8.931 49 HG2 ARG 9 HG2 ARG 9 8.527 3.601 8.509 50 HG3 ARG 9 HG3 ARG 9 9.099 5.008 9.385 51 HD2 ARG 9 HD2 ARG 9 10.447 3.837 6.929 52 HD3 ARG 9 HD3 ARG 9 9.354 5.227 6.915 53 HE ARG 9 HE ARG 9 10.984 6.274 8.561 54 HH11 ARG 9 HH11 ARG 9 12.009 4.222 5.798 55 HH12 ARG 9 HH12 ARG 9 13.492 5.079 5.581 56 HH21 ARG 9 HH21 ARG 9 13.038 7.242 8.361 57 HH22 ARG 9 HH22 ARG 9 14.063 6.881 7.023 58 H ARG 10 H ARG 10 10.742 0.290 10.692 59 HA ARG 10 HA ARG 10 8.967 -1.017 8.949 60 HB2 ARG 10 HB2 ARG 10 9.802 -3.160 9.886 61 HB3 ARG 10 HB3 ARG 10 11.085 -2.030 9.425 62 HG2 ARG 10 HG2 ARG 10 11.375 -1.434 11.768 63 HG3 ARG 10 HG3 ARG 10 10.058 -2.499 12.261 64 HD2 ARG 10 HD2 ARG 10 12.121 -3.644 12.709 65 HD3 ARG 10 HD3 ARG 10 11.340 -4.440 11.330 66 HE ARG 10 HE ARG 10 13.092 -2.524 10.266 67 HH11 ARG 10 HH11 ARG 10 13.316 -5.593 12.100 68 HH12 ARG 10 HH12 ARG 10 14.730 -6.099 11.238 69 HH21 ARG 10 HH21 ARG 10 15.096 -3.054 9.434 70 HH22 ARG 10 HH22 ARG 10 15.874 -4.551 9.810 71 H LEU 11 H LEU 11 8.648 -0.776 12.499 72 HA LEU 11 HA LEU 11 6.522 -2.545 12.852 73 HB2 LEU 11 HB2 LEU 11 6.818 0.122 14.296 74 HB3 LEU 11 HB3 LEU 11 6.053 -1.333 14.901 75 HG LEU 11 HG LEU 11 9.023 -1.087 14.255 76 HD11 LEU 11 HD11 LEU 11 9.388 -0.694 16.581 77 HD12 LEU 11 HD12 LEU 11 7.632 -0.792 16.936 78 HD13 LEU 11 HD13 LEU 11 8.287 0.536 15.954 79 HD21 LEU 11 HD21 LEU 11 8.260 -3.406 14.261 80 HD22 LEU 11 HD22 LEU 11 7.355 -3.144 15.762 81 HD23 LEU 11 HD23 LEU 11 9.129 -3.113 15.780 82 H SER 12 H SER 12 6.420 0.918 12.437 83 HA SER 12 HA SER 12 3.598 1.229 12.361 84 HB2 SER 12 HB2 SER 12 5.929 2.937 11.457 85 HB3 SER 12 HB3 SER 12 4.235 3.474 11.279 86 HG SER 12 HG SER 12 5.775 3.181 13.577 87 H ILE 13 H ILE 13 5.938 0.828 9.676 88 HA ILE 13 HA ILE 13 4.002 1.061 7.586 89 HB ILE 13 HB ILE 13 6.788 -0.111 7.814 90 HG12 ILE 13 HG12 ILE 13 5.720 2.404 6.433 91 HG13 ILE 13 HG13 ILE 13 6.514 2.384 8.002 92 HG21 ILE 13 HG21 ILE 13 6.960 -0.364 5.482 93 HG22 ILE 13 HG22 ILE 13 5.533 -1.259 5.954 94 HG23 ILE 13 HG23 ILE 13 5.390 0.354 5.191 95 HD11 ILE 13 HD11 ILE 13 7.818 1.660 5.338 96 HD12 ILE 13 HD12 ILE 13 8.082 3.101 6.300 97 HD13 ILE 13 HD13 ILE 13 8.603 1.523 6.932 98 H GLN 14 H GLN 14 5.511 -1.871 9.107 99 HA GLN 14 HA GLN 14 4.092 -3.841 7.812 100 HB2 GLN 14 HB2 GLN 14 5.246 -3.665 10.595 101 HB3 GLN 14 HB3 GLN 14 4.453 -5.136 10.041 102 HG2 GLN 14 HG2 GLN 14 6.581 -3.899 8.317 103 HG3 GLN 14 HG3 GLN 14 7.055 -4.837 9.736 104 HE21 GLN 14 HE21 GLN 14 7.091 -7.038 9.546 105 HE22 GLN 14 HE22 GLN 14 6.477 -7.967 8.193 106 H ARG 15 H ARG 15 2.958 -1.838 10.551 107 HA ARG 15 HA ARG 15 0.786 -3.421 11.318 108 HB2 ARG 15 HB2 ARG 15 1.562 -1.383 12.529 109 HB3 ARG 15 HB3 ARG 15 0.984 -0.371 11.201 110 HG2 ARG 15 HG2 ARG 15 -1.357 -1.137 11.670 111 HG3 ARG 15 HG3 ARG 15 -0.744 -2.039 13.072 112 HD2 ARG 15 HD2 ARG 15 0.061 0.069 14.084 113 HD3 ARG 15 HD3 ARG 15 -0.383 0.963 12.629 114 HE ARG 15 HE ARG 15 -2.625 0.866 13.142 115 HH11 ARG 15 HH11 ARG 15 -0.782 -0.845 15.679 116 HH12 ARG 15 HH12 ARG 15 -2.164 -0.904 16.730 117 HH21 ARG 15 HH21 ARG 15 -4.350 0.872 14.715 118 HH22 ARG 15 HH22 ARG 15 -4.204 -0.193 16.084 119 H ALA 16 H ALA 16 1.032 -1.104 8.614 120 HA ALA 16 HA ALA 16 -1.764 -1.406 7.816 121 HB1 ALA 16 HB1 ALA 16 0.632 -0.213 6.356 122 HB2 ALA 16 HB2 ALA 16 -1.066 -0.113 5.841 123 HB3 ALA 16 HB3 ALA 16 -0.550 0.683 7.334 124 H ILE 17 H ILE 17 1.413 -2.464 6.565 125 HA ILE 17 HA ILE 17 0.564 -3.931 4.374 126 HB ILE 17 HB ILE 17 2.995 -4.277 6.118 127 HG12 ILE 17 HG12 ILE 17 2.418 -2.904 3.455 128 HG13 ILE 17 HG13 ILE 17 2.753 -2.097 4.994 129 HG21 ILE 17 HG21 ILE 17 4.061 -5.571 4.364 130 HG22 ILE 17 HG22 ILE 17 2.609 -6.404 4.857 131 HG23 ILE 17 HG23 ILE 17 2.607 -5.460 3.348 132 HD11 ILE 17 HD11 ILE 17 4.754 -1.960 3.723 133 HD12 ILE 17 HD12 ILE 17 5.031 -3.219 4.956 134 HD13 ILE 17 HD13 ILE 17 4.675 -3.653 3.271 135 H GLN 18 H GLN 18 0.685 -5.101 7.762 136 HA GLN 18 HA GLN 18 0.365 -7.819 7.159 137 HB2 GLN 18 HB2 GLN 18 0.064 -8.130 9.405 138 HB3 GLN 18 HB3 GLN 18 0.844 -6.561 9.407 139 HG2 GLN 18 HG2 GLN 18 -1.485 -5.527 9.523 140 HG3 GLN 18 HG3 GLN 18 -2.091 -7.157 9.842 141 HE21 GLN 18 HE21 GLN 18 -1.304 -4.423 11.399 142 HE22 GLN 18 HE22 GLN 18 -0.548 -5.032 12.876 143 H SER 19 H SER 19 -2.069 -5.269 7.234 144 HA SER 19 HA SER 19 -4.350 -7.097 7.089 145 HB2 SER 19 HB2 SER 19 -4.152 -4.106 6.542 146 HB3 SER 19 HB3 SER 19 -5.625 -5.022 6.923 147 HG SER 19 HG SER 19 -4.355 -3.711 8.570 148 H LEU 20 H LEU 20 -2.545 -4.883 4.968 149 HA LEU 20 HA LEU 20 -3.945 -5.064 2.567 150 HB2 LEU 20 HB2 LEU 20 -2.369 -3.373 3.201 151 HB3 LEU 20 HB3 LEU 20 -1.057 -4.534 3.307 152 HG LEU 20 HG LEU 20 -2.425 -3.980 0.687 153 HD11 LEU 20 HD11 LEU 20 -1.651 -1.830 1.618 154 HD12 LEU 20 HD12 LEU 20 -0.618 -2.325 0.273 155 HD13 LEU 20 HD13 LEU 20 -0.041 -2.535 1.933 156 HD21 LEU 20 HD21 LEU 20 -0.984 -5.888 0.472 157 HD22 LEU 20 HD22 LEU 20 0.307 -5.106 1.426 158 HD23 LEU 20 HD23 LEU 20 -0.103 -4.531 -0.196 159 H VAL 21 H VAL 21 -0.980 -6.875 3.493 160 HA VAL 21 HA VAL 21 -0.791 -8.456 1.169 161 HB VAL 21 HB VAL 21 0.111 -9.040 4.013 162 HG11 VAL 21 HG11 VAL 21 1.673 -10.716 2.998 163 HG12 VAL 21 HG12 VAL 21 -0.011 -11.212 2.865 164 HG13 VAL 21 HG13 VAL 21 0.823 -10.545 1.445 165 HG21 VAL 21 HG21 VAL 21 2.287 -8.331 3.222 166 HG22 VAL 21 HG22 VAL 21 1.713 -8.219 1.549 167 HG23 VAL 21 HG23 VAL 21 1.128 -7.073 2.765 168 H HIS 22 H HIS 22 -2.425 -9.339 4.288 169 HA HIS 22 HA HIS 22 -3.413 -11.806 3.387 170 HB2 HIS 22 HB2 HIS 22 -3.506 -11.195 5.714 171 HB3 HIS 22 HB3 HIS 22 -4.562 -9.824 5.383 172 HD1 HIS 22 HD1 HIS 22 -4.746 -13.744 5.095 173 HD2 HIS 22 HD2 HIS 22 -7.159 -10.272 5.267 174 HE1 HIS 22 HE1 HIS 22 -7.166 -14.486 5.191 175 H ALA 23 H ALA 23 -5.060 -8.573 3.247 176 HA ALA 23 HA ALA 23 -7.378 -9.483 1.945 177 HB1 ALA 23 HB1 ALA 23 -7.679 -7.089 1.357 178 HB2 ALA 23 HB2 ALA 23 -7.158 -7.303 3.042 179 HB3 ALA 23 HB3 ALA 23 -5.997 -6.768 1.808 180 H ALA 24 H ALA 24 -4.196 -8.905 0.581 181 HA ALA 24 HA ALA 24 -5.126 -8.682 -2.173 182 HB1 ALA 24 HB1 ALA 24 -2.734 -8.702 -2.726 183 HB2 ALA 24 HB2 ALA 24 -3.061 -7.548 -1.423 184 HB3 ALA 24 HB3 ALA 24 -2.313 -9.122 -1.059 185 H GLN 25 H GLN 25 -4.141 -11.364 -0.009 186 HA GLN 25 HA GLN 25 -4.130 -13.242 -2.340 187 HB2 GLN 25 HB2 GLN 25 -2.902 -14.773 -0.958 188 HB3 GLN 25 HB3 GLN 25 -2.074 -13.227 -1.070 189 HG2 GLN 25 HG2 GLN 25 -2.805 -12.637 1.207 190 HG3 GLN 25 HG3 GLN 25 -3.750 -14.107 1.326 191 HE21 GLN 25 HE21 GLN 25 -2.598 -15.055 3.111 192 HE22 GLN 25 HE22 GLN 25 -0.910 -15.468 3.006 193 H CYS 26 H CYS 26 -6.282 -12.094 -0.195 194 HA CYS 26 HA CYS 26 -7.559 -14.398 0.849 195 HB2 CYS 26 HB2 CYS 26 -7.666 -12.246 1.890 196 HB3 CYS 26 HB3 CYS 26 -8.375 -11.509 0.446 197 H ARG 27 H ARG 27 -8.067 -15.915 -0.702 198 HA ARG 27 HA ARG 27 -10.533 -15.428 -2.256 199 HB2 ARG 27 HB2 ARG 27 -8.001 -16.542 -3.564 200 HB3 ARG 27 HB3 ARG 27 -9.639 -16.734 -4.197 201 HG2 ARG 27 HG2 ARG 27 -9.815 -14.212 -4.320 202 HG3 ARG 27 HG3 ARG 27 -8.097 -14.144 -3.889 203 HD2 ARG 27 HD2 ARG 27 -8.069 -14.084 -6.249 204 HD3 ARG 27 HD3 ARG 27 -7.660 -15.728 -5.845 205 HE ARG 27 HE ARG 27 -9.486 -16.443 -7.005 206 HH11 ARG 27 HH11 ARG 27 -10.010 -13.012 -6.200 207 HH12 ARG 27 HH12 ARG 27 -11.471 -12.869 -7.107 208 HH21 ARG 27 HH21 ARG 27 -11.448 -16.236 -8.267 209 HH22 ARG 27 HH22 ARG 27 -12.289 -14.738 -8.307 210 H ASN 28 H ASN 28 -11.288 -16.690 -0.361 211 HA ASN 28 HA ASN 28 -11.298 -19.520 -0.838 212 HB2 ASN 28 HB2 ASN 28 -9.052 -19.363 0.234 213 HB3 ASN 28 HB3 ASN 28 -9.767 -18.489 1.591 214 HD21 ASN 28 HD21 ASN 28 -8.748 -20.258 2.829 215 HD22 ASN 28 HD22 ASN 28 -9.581 -21.797 2.950 216 H ALA 29 H ALA 29 -12.998 -20.411 0.311 217 HA ALA 29 HA ALA 29 -15.035 -18.688 1.336 218 HB1 ALA 29 HB1 ALA 29 -15.407 -20.850 0.142 219 HB2 ALA 29 HB2 ALA 29 -14.691 -21.727 1.519 220 HB3 ALA 29 HB3 ALA 29 -16.201 -20.822 1.716 221 H ASN 30 H ASN 30 -12.640 -20.844 2.945 222 HA ASN 30 HA ASN 30 -13.679 -20.474 5.600 223 HB2 ASN 30 HB2 ASN 30 -10.869 -21.301 4.763 224 HB3 ASN 30 HB3 ASN 30 -11.541 -21.440 6.368 225 HD21 ASN 30 HD21 ASN 30 -12.019 -23.564 6.856 226 HD22 ASN 30 HD22 ASN 30 -12.700 -24.698 5.716 227 H CYS 31 H CYS 31 -12.039 -18.218 3.669 228 HA CYS 31 HA CYS 31 -10.253 -17.099 5.625 229 HB2 CYS 31 HB2 CYS 31 -10.006 -16.820 3.115 230 HB3 CYS 31 HB3 CYS 31 -11.446 -15.781 3.161 231 H SER 32 H SER 32 -10.853 -16.070 7.399 232 HA SER 32 HA SER 32 -13.143 -14.190 7.298 233 HB2 SER 32 HB2 SER 32 -12.746 -16.031 9.636 234 HB3 SER 32 HB3 SER 32 -14.153 -15.064 9.238 235 HG SER 32 HG SER 32 -14.551 -16.492 7.494 236 H LEU 33 H LEU 33 -11.684 -12.426 7.267 237 HA LEU 33 HA LEU 33 -10.286 -11.932 9.848 238 HB2 LEU 33 HB2 LEU 33 -9.332 -11.677 7.027 239 HB3 LEU 33 HB3 LEU 33 -8.944 -10.338 8.099 240 HG LEU 33 HG LEU 33 -7.093 -11.820 7.929 241 HD11 LEU 33 HD11 LEU 33 -7.366 -10.657 10.030 242 HD12 LEU 33 HD12 LEU 33 -6.622 -12.254 10.276 243 HD13 LEU 33 HD13 LEU 33 -8.314 -12.013 10.702 244 HD21 LEU 33 HD21 LEU 33 -8.401 -13.897 7.438 245 HD22 LEU 33 HD22 LEU 33 -8.693 -14.063 9.189 246 HD23 LEU 33 HD23 LEU 33 -7.040 -14.100 8.548 247 HA PRO 34 HA PRO 34 -13.185 -8.554 9.580 248 HB2 PRO 34 HB2 PRO 34 -12.464 -7.019 11.724 249 HB3 PRO 34 HB3 PRO 34 -13.257 -8.609 11.853 250 HG2 PRO 34 HG2 PRO 34 -10.298 -7.984 12.070 251 HG3 PRO 34 HG3 PRO 34 -11.304 -8.981 13.170 252 HD2 PRO 34 HD2 PRO 34 -9.757 -10.062 11.180 253 HD3 PRO 34 HD3 PRO 34 -11.325 -10.781 11.661 254 H SER 35 H SER 35 -9.633 -7.778 9.540 255 HA SER 35 HA SER 35 -10.196 -5.049 8.618 256 HB2 SER 35 HB2 SER 35 -7.689 -5.024 8.281 257 HB3 SER 35 HB3 SER 35 -8.269 -5.235 9.933 258 HG SER 35 HG SER 35 -6.830 -6.769 9.797 259 H CYS 36 H CYS 36 -9.638 -8.202 7.243 260 HA CYS 36 HA CYS 36 -8.706 -7.729 4.711 261 HB2 CYS 36 HB2 CYS 36 -9.182 -9.898 5.895 262 HB3 CYS 36 HB3 CYS 36 -10.881 -9.753 5.457 263 H GLN 37 H GLN 37 -12.186 -8.014 5.519 264 HA GLN 37 HA GLN 37 -13.183 -7.051 3.110 265 HB2 GLN 37 HB2 GLN 37 -15.254 -6.430 4.351 266 HB3 GLN 37 HB3 GLN 37 -14.692 -8.077 4.606 267 HG2 GLN 37 HG2 GLN 37 -13.929 -7.619 6.818 268 HG3 GLN 37 HG3 GLN 37 -14.067 -5.872 6.594 269 HE21 GLN 37 HE21 GLN 37 -16.196 -4.859 6.640 270 HE22 GLN 37 HE22 GLN 37 -17.602 -5.760 7.073 271 H LYS 38 H LYS 38 -11.961 -5.060 5.796 272 HA LYS 38 HA LYS 38 -13.070 -2.588 4.718 273 HB2 LYS 38 HB2 LYS 38 -10.635 -2.853 6.531 274 HB3 LYS 38 HB3 LYS 38 -11.621 -1.431 6.222 275 HG2 LYS 38 HG2 LYS 38 -12.604 -3.890 7.699 276 HG3 LYS 38 HG3 LYS 38 -11.966 -2.426 8.453 277 HD2 LYS 38 HD2 LYS 38 -13.803 -1.093 7.324 278 HD3 LYS 38 HD3 LYS 38 -14.451 -2.621 6.712 279 HE2 LYS 38 HE2 LYS 38 -15.722 -2.265 8.624 280 HE3 LYS 38 HE3 LYS 38 -14.498 -3.417 9.173 281 HZ1 LYS 38 HZ1 LYS 38 -14.763 -1.674 10.784 282 HZ2 LYS 38 HZ2 LYS 38 -14.655 -0.524 9.686 283 HZ3 LYS 38 HZ3 LYS 38 -13.302 -1.402 10.098 284 H MET 39 H MET 39 -9.920 -4.271 4.526 285 HA MET 39 HA MET 39 -8.627 -2.330 2.873 286 HB2 MET 39 HB2 MET 39 -8.122 -5.296 3.230 287 HB3 MET 39 HB3 MET 39 -6.996 -4.203 2.433 288 HG2 MET 39 HG2 MET 39 -7.878 -3.702 5.284 289 HG3 MET 39 HG3 MET 39 -6.700 -4.939 4.927 290 HE1 MET 39 HE1 MET 39 -5.705 -0.510 3.878 291 HE2 MET 39 HE2 MET 39 -6.529 -1.579 2.735 292 HE3 MET 39 HE3 MET 39 -7.366 -1.039 4.218 293 H LYS 40 H LYS 40 -10.735 -5.114 2.084 294 HA LYS 40 HA LYS 40 -10.203 -5.332 -0.651 295 HB2 LYS 40 HB2 LYS 40 -12.570 -5.915 1.095 296 HB3 LYS 40 HB3 LYS 40 -12.937 -5.658 -0.601 297 HG2 LYS 40 HG2 LYS 40 -12.625 -7.994 -0.272 298 HG3 LYS 40 HG3 LYS 40 -11.290 -7.395 -1.252 299 HD2 LYS 40 HD2 LYS 40 -9.889 -7.318 0.849 300 HD3 LYS 40 HD3 LYS 40 -11.237 -8.032 1.727 301 HE2 LYS 40 HE2 LYS 40 -9.840 -9.350 -0.639 302 HE3 LYS 40 HE3 LYS 40 -9.459 -9.634 1.067 303 HZ1 LYS 40 HZ1 LYS 40 -11.835 -10.489 -0.387 304 HZ2 LYS 40 HZ2 LYS 40 -11.953 -10.159 1.237 305 HZ3 LYS 40 HZ3 LYS 40 -10.889 -11.277 0.702 306 H ARG 41 H ARG 41 -12.124 -2.837 1.015 307 HA ARG 41 HA ARG 41 -13.232 -1.650 -1.335 308 HB2 ARG 41 HB2 ARG 41 -13.982 -1.185 1.006 309 HB3 ARG 41 HB3 ARG 41 -12.456 -0.330 1.319 310 HG2 ARG 41 HG2 ARG 41 -12.961 1.321 -0.417 311 HG3 ARG 41 HG3 ARG 41 -14.409 0.413 -0.872 312 HD2 ARG 41 HD2 ARG 41 -13.956 1.674 1.867 313 HD3 ARG 41 HD3 ARG 41 -14.798 2.481 0.544 314 HE ARG 41 HE ARG 41 -15.790 0.431 2.293 315 HH11 ARG 41 HH11 ARG 41 -16.179 1.772 -1.031 316 HH12 ARG 41 HH12 ARG 41 -17.826 1.307 -1.166 317 HH21 ARG 41 HH21 ARG 41 -17.960 -0.300 2.013 318 HH22 ARG 41 HH22 ARG 41 -18.793 -0.027 0.505 319 H VAL 42 H VAL 42 -10.170 -1.005 0.452 320 HA VAL 42 HA VAL 42 -9.328 1.139 -1.190 321 HB VAL 42 HB VAL 42 -7.564 -0.707 0.469 322 HG11 VAL 42 HG11 VAL 42 -6.431 1.038 -0.928 323 HG12 VAL 42 HG12 VAL 42 -7.387 2.289 -0.094 324 HG13 VAL 42 HG13 VAL 42 -6.223 1.311 0.810 325 HG21 VAL 42 HG21 VAL 42 -7.997 0.833 2.404 326 HG22 VAL 42 HG22 VAL 42 -9.268 1.639 1.486 327 HG23 VAL 42 HG23 VAL 42 -9.438 -0.062 1.968 328 H VAL 43 H VAL 43 -8.841 -2.432 -1.373 329 HA VAL 43 HA VAL 43 -7.089 -2.279 -3.628 330 HB VAL 43 HB VAL 43 -8.844 -4.582 -2.662 331 HG11 VAL 43 HG11 VAL 43 -7.257 -6.048 -3.913 332 HG12 VAL 43 HG12 VAL 43 -8.220 -5.025 -4.994 333 HG13 VAL 43 HG13 VAL 43 -6.533 -4.606 -4.649 334 HG21 VAL 43 HG21 VAL 43 -5.896 -3.919 -2.243 335 HG22 VAL 43 HG22 VAL 43 -7.166 -3.852 -1.004 336 HG23 VAL 43 HG23 VAL 43 -6.707 -5.399 -1.700 337 H GLN 44 H GLN 44 -10.648 -2.298 -3.321 338 HA GLN 44 HA GLN 44 -11.093 -2.523 -6.176 339 HB2 GLN 44 HB2 GLN 44 -12.881 -1.770 -3.836 340 HB3 GLN 44 HB3 GLN 44 -13.437 -1.742 -5.518 341 HG2 GLN 44 HG2 GLN 44 -12.917 -4.089 -5.829 342 HG3 GLN 44 HG3 GLN 44 -12.162 -4.199 -4.246 343 HE21 GLN 44 HE21 GLN 44 -13.813 -6.115 -4.348 344 HE22 GLN 44 HE22 GLN 44 -15.437 -5.801 -3.814 345 H HIS 45 H HIS 45 -10.368 0.219 -3.985 346 HA HIS 45 HA HIS 45 -11.244 2.250 -5.781 347 HB2 HIS 45 HB2 HIS 45 -10.754 2.927 -3.565 348 HB3 HIS 45 HB3 HIS 45 -9.132 2.271 -3.602 349 HD1 HIS 45 HD1 HIS 45 -11.057 5.352 -5.014 350 HD2 HIS 45 HD2 HIS 45 -7.167 3.731 -4.620 351 HE1 HIS 45 HE1 HIS 45 -9.436 7.174 -5.674 352 H THR 46 H THR 46 -7.860 0.868 -5.369 353 HA THR 46 HA THR 46 -6.771 2.357 -7.489 354 HB THR 46 HB THR 46 -5.416 1.207 -5.890 355 HG1 THR 46 HG1 THR 46 -3.884 0.695 -7.196 356 HG21 THR 46 HG21 THR 46 -5.074 -1.303 -6.099 357 HG22 THR 46 HG22 THR 46 -6.564 -1.325 -7.078 358 HG23 THR 46 HG23 THR 46 -6.615 -0.771 -5.398 359 H LYS 47 H LYS 47 -8.713 -0.611 -7.683 360 HA LYS 47 HA LYS 47 -8.192 -1.177 -10.467 361 HB2 LYS 47 HB2 LYS 47 -10.366 -1.884 -8.483 362 HB3 LYS 47 HB3 LYS 47 -10.445 -2.384 -10.180 363 HG2 LYS 47 HG2 LYS 47 -8.363 -3.701 -9.882 364 HG3 LYS 47 HG3 LYS 47 -8.287 -3.185 -8.192 365 HD2 LYS 47 HD2 LYS 47 -9.343 -5.368 -8.230 366 HD3 LYS 47 HD3 LYS 47 -10.556 -4.168 -7.808 367 HE2 LYS 47 HE2 LYS 47 -11.068 -4.163 -10.415 368 HE3 LYS 47 HE3 LYS 47 -10.211 -5.700 -10.413 369 HZ1 LYS 47 HZ1 LYS 47 -11.855 -6.552 -8.877 370 HZ2 LYS 47 HZ2 LYS 47 -12.665 -5.852 -10.104 371 HZ3 LYS 47 HZ3 LYS 47 -12.556 -5.040 -8.724 372 H GLY 48 H GLY 48 -10.578 0.914 -8.793 373 HA2 GLY 48 HA2 GLY 48 -11.974 1.414 -11.370 374 HA3 GLY 48 HA3 GLY 48 -12.600 1.727 -9.762 375 H CYS 49 H CYS 49 -9.556 2.873 -9.413 376 HA CYS 49 HA CYS 49 -10.458 5.592 -9.789 377 HB2 CYS 49 HB2 CYS 49 -8.920 4.560 -7.970 378 HB3 CYS 49 HB3 CYS 49 -7.618 4.826 -9.149 379 H LYS 50 H LYS 50 -10.667 6.256 -11.853 380 HA LYS 50 HA LYS 50 -9.052 5.387 -14.055 381 HB2 LYS 50 HB2 LYS 50 -11.357 6.412 -14.249 382 HB3 LYS 50 HB3 LYS 50 -10.654 7.968 -13.784 383 HG2 LYS 50 HG2 LYS 50 -10.893 7.978 -16.143 384 HG3 LYS 50 HG3 LYS 50 -9.178 7.848 -15.834 385 HD2 LYS 50 HD2 LYS 50 -9.296 5.384 -16.239 386 HD3 LYS 50 HD3 LYS 50 -11.033 5.532 -16.564 387 HE2 LYS 50 HE2 LYS 50 -8.749 6.775 -18.171 388 HE3 LYS 50 HE3 LYS 50 -9.729 5.375 -18.631 389 HZ1 LYS 50 HZ1 LYS 50 -10.743 7.071 -19.757 390 HZ2 LYS 50 HZ2 LYS 50 -10.460 8.193 -18.592 391 HZ3 LYS 50 HZ3 LYS 50 -11.655 7.079 -18.390 392 H ARG 51 H ARG 51 -8.778 8.018 -11.746 393 HA ARG 51 HA ARG 51 -6.866 9.582 -12.923 394 HB2 ARG 51 HB2 ARG 51 -8.084 9.489 -10.422 395 HB3 ARG 51 HB3 ARG 51 -6.392 9.288 -10.027 396 HG2 ARG 51 HG2 ARG 51 -7.579 11.558 -11.695 397 HG3 ARG 51 HG3 ARG 51 -7.190 11.617 -9.969 398 HD2 ARG 51 HD2 ARG 51 -4.769 11.056 -10.718 399 HD3 ARG 51 HD3 ARG 51 -5.295 11.567 -12.311 400 HE ARG 51 HE ARG 51 -5.567 13.775 -11.599 401 HH11 ARG 51 HH11 ARG 51 -4.203 11.817 -8.972 402 HH12 ARG 51 HH12 ARG 51 -4.383 13.058 -7.755 403 HH21 ARG 51 HH21 ARG 51 -5.416 15.579 -10.050 404 HH22 ARG 51 HH22 ARG 51 -4.909 15.271 -8.469 405 H LYS 52 H LYS 52 -6.366 6.329 -11.648 406 HA LYS 52 HA LYS 52 -3.636 6.371 -11.122 407 HB2 LYS 52 HB2 LYS 52 -5.382 4.545 -10.682 408 HB3 LYS 52 HB3 LYS 52 -5.191 4.072 -12.369 409 HG2 LYS 52 HG2 LYS 52 -2.770 3.675 -11.961 410 HG3 LYS 52 HG3 LYS 52 -2.964 4.182 -10.273 411 HD2 LYS 52 HD2 LYS 52 -4.488 2.379 -9.809 412 HD3 LYS 52 HD3 LYS 52 -4.567 1.901 -11.507 413 HE2 LYS 52 HE2 LYS 52 -1.992 1.842 -9.868 414 HE3 LYS 52 HE3 LYS 52 -3.081 0.450 -10.020 415 HZ1 LYS 52 HZ1 LYS 52 -2.644 0.351 -12.344 416 HZ2 LYS 52 HZ2 LYS 52 -1.192 0.492 -11.626 417 HZ3 LYS 52 HZ3 LYS 52 -1.856 1.778 -12.376 418 H THR 53 H THR 53 -5.346 5.603 -14.226 419 HA THR 53 HA THR 53 -2.807 5.442 -15.612 420 HB THR 53 HB THR 53 -5.195 4.309 -16.054 421 HG1 THR 53 HG1 THR 53 -3.428 4.858 -18.177 422 HG21 THR 53 HG21 THR 53 -5.161 6.522 -18.147 423 HG22 THR 53 HG22 THR 53 -6.351 6.337 -16.839 424 HG23 THR 53 HG23 THR 53 -6.225 5.103 -18.100 425 H ASN 54 H ASN 54 -5.165 7.980 -14.892 426 HA ASN 54 HA ASN 54 -4.110 9.872 -16.739 427 HB2 ASN 54 HB2 ASN 54 -5.637 10.542 -14.225 428 HB3 ASN 54 HB3 ASN 54 -5.385 11.571 -15.613 429 HD21 ASN 54 HD21 ASN 54 -7.929 11.500 -15.015 430 HD22 ASN 54 HD22 ASN 54 -8.834 10.357 -15.969 431 H GLY 55 H GLY 55 -2.053 8.588 -14.924 432 HA2 GLY 55 HA2 GLY 55 0.032 9.535 -14.445 433 HA3 GLY 55 HA3 GLY 55 -0.712 11.045 -13.951 434 H GLY 56 H GLY 56 -2.637 8.982 -12.292 435 HA2 GLY 56 HA2 GLY 56 -1.981 7.515 -10.408 436 HA3 GLY 56 HA3 GLY 56 -0.755 8.696 -9.988 437 H CYS 57 H CYS 57 -3.432 7.566 -8.819 438 HA CYS 57 HA CYS 57 -5.025 9.894 -8.156 439 HB2 CYS 57 HB2 CYS 57 -5.375 7.451 -6.551 440 HB3 CYS 57 HB3 CYS 57 -6.545 8.320 -7.577 441 HA PRO 58 HA PRO 58 -2.940 10.714 -4.354 442 HB2 PRO 58 HB2 PRO 58 -4.867 10.883 -2.358 443 HB3 PRO 58 HB3 PRO 58 -4.619 12.111 -3.628 444 HG2 PRO 58 HG2 PRO 58 -6.600 9.833 -3.610 445 HG3 PRO 58 HG3 PRO 58 -6.919 11.565 -3.981 446 HD2 PRO 58 HD2 PRO 58 -6.561 9.771 -5.951 447 HD3 PRO 58 HD3 PRO 58 -5.798 11.377 -6.089 448 H ILE 59 H ILE 59 -5.507 8.409 -3.229 449 HA ILE 59 HA ILE 59 -4.000 7.115 -1.319 450 HB ILE 59 HB ILE 59 -6.363 6.166 -2.976 451 HG12 ILE 59 HG12 ILE 59 -7.537 6.281 -0.716 452 HG13 ILE 59 HG13 ILE 59 -6.100 7.091 -0.065 453 HG21 ILE 59 HG21 ILE 59 -5.200 4.700 -0.582 454 HG22 ILE 59 HG22 ILE 59 -6.708 4.304 -1.424 455 HG23 ILE 59 HG23 ILE 59 -5.175 4.111 -2.261 456 HD11 ILE 59 HD11 ILE 59 -6.533 8.990 -1.512 457 HD12 ILE 59 HD12 ILE 59 -7.769 8.059 -2.425 458 HD13 ILE 59 HD13 ILE 59 -8.032 8.553 -0.721 459 H CYS 60 H CYS 60 -4.565 6.064 -4.730 460 HA CYS 60 HA CYS 60 -2.938 3.837 -4.740 461 HB2 CYS 60 HB2 CYS 60 -3.488 5.720 -7.073 462 HB3 CYS 60 HB3 CYS 60 -3.053 4.024 -7.158 463 H LYS 61 H LYS 61 -1.895 7.260 -5.019 464 HA LYS 61 HA LYS 61 0.732 6.540 -6.177 465 HB2 LYS 61 HB2 LYS 61 -0.465 9.104 -5.068 466 HB3 LYS 61 HB3 LYS 61 1.272 8.942 -5.276 467 HG2 LYS 61 HG2 LYS 61 1.062 8.542 -7.673 468 HG3 LYS 61 HG3 LYS 61 -0.681 8.490 -7.559 469 HD2 LYS 61 HD2 LYS 61 -0.292 10.665 -8.333 470 HD3 LYS 61 HD3 LYS 61 -0.512 10.915 -6.610 471 HE2 LYS 61 HE2 LYS 61 1.973 10.880 -6.297 472 HE3 LYS 61 HE3 LYS 61 2.195 10.597 -8.021 473 HZ1 LYS 61 HZ1 LYS 61 2.483 12.923 -7.301 474 HZ2 LYS 61 HZ2 LYS 61 0.901 13.034 -6.940 475 HZ3 LYS 61 HZ3 LYS 61 1.385 12.784 -8.483 476 H GLN 62 H GLN 62 -0.585 7.531 -2.968 477 HA GLN 62 HA GLN 62 1.925 7.164 -1.672 478 HB2 GLN 62 HB2 GLN 62 -0.909 7.154 -0.558 479 HB3 GLN 62 HB3 GLN 62 0.547 7.266 0.424 480 HG2 GLN 62 HG2 GLN 62 -0.571 9.319 -1.506 481 HG3 GLN 62 HG3 GLN 62 -0.258 9.494 0.216 482 HE21 GLN 62 HE21 GLN 62 0.732 11.133 -2.109 483 HE22 GLN 62 HE22 GLN 62 2.491 10.967 -2.167 484 H LEU 63 H LEU 63 -0.576 4.817 -2.426 485 HA LEU 63 HA LEU 63 0.091 2.763 -0.654 486 HB2 LEU 63 HB2 LEU 63 -1.876 2.865 -2.214 487 HB3 LEU 63 HB3 LEU 63 -0.804 2.555 -3.562 488 HG LEU 63 HG LEU 63 -0.324 0.302 -2.744 489 HD11 LEU 63 HD11 LEU 63 -1.606 -0.602 -0.779 490 HD12 LEU 63 HD12 LEU 63 -2.076 1.059 -0.359 491 HD13 LEU 63 HD13 LEU 63 -0.366 0.567 -0.321 492 HD21 LEU 63 HD21 LEU 63 -2.380 0.723 -4.100 493 HD22 LEU 63 HD22 LEU 63 -3.315 0.890 -2.601 494 HD23 LEU 63 HD23 LEU 63 -2.547 -0.665 -3.014 495 H ILE 64 H ILE 64 1.744 3.785 -3.544 496 HA ILE 64 HA ILE 64 3.330 1.577 -4.223 497 HB ILE 64 HB ILE 64 3.798 4.560 -4.421 498 HG12 ILE 64 HG12 ILE 64 1.731 3.681 -5.566 499 HG13 ILE 64 HG13 ILE 64 2.864 4.491 -6.612 500 HG21 ILE 64 HG21 ILE 64 5.221 2.463 -6.038 501 HG22 ILE 64 HG22 ILE 64 5.317 4.210 -6.281 502 HG23 ILE 64 HG23 ILE 64 5.958 3.500 -4.792 503 HD11 ILE 64 HD11 ILE 64 1.844 2.439 -7.592 504 HD12 ILE 64 HD12 ILE 64 3.616 2.437 -7.587 505 HD13 ILE 64 HD13 ILE 64 2.733 1.474 -6.393 506 H ALA 65 H ALA 65 3.722 3.931 -1.610 507 HA ALA 65 HA ALA 65 6.439 3.512 -0.950 508 HB1 ALA 65 HB1 ALA 65 4.090 4.100 0.929 509 HB2 ALA 65 HB2 ALA 65 5.804 4.442 1.230 510 HB3 ALA 65 HB3 ALA 65 4.930 5.318 -0.042 511 H LEU 66 H LEU 66 3.476 1.845 0.179 512 HA LEU 66 HA LEU 66 4.907 0.076 1.998 513 HB2 LEU 66 HB2 LEU 66 2.128 -0.234 0.732 514 HB3 LEU 66 HB3 LEU 66 2.805 -1.193 2.053 515 HG LEU 66 HG LEU 66 2.035 1.717 2.208 516 HD11 LEU 66 HD11 LEU 66 1.097 -0.859 3.566 517 HD12 LEU 66 HD12 LEU 66 0.170 0.180 2.468 518 HD13 LEU 66 HD13 LEU 66 0.627 0.757 4.082 519 HD21 LEU 66 HD21 LEU 66 4.069 1.595 3.458 520 HD22 LEU 66 HD22 LEU 66 3.664 -0.055 4.039 521 HD23 LEU 66 HD23 LEU 66 2.805 1.321 4.660 522 H ALA 67 H ALA 67 3.895 -0.136 -1.392 523 HA ALA 67 HA ALA 67 4.540 -2.906 -1.704 524 HB1 ALA 67 HB1 ALA 67 3.152 -1.575 -3.286 525 HB2 ALA 67 HB2 ALA 67 4.605 -0.703 -3.811 526 HB3 ALA 67 HB3 ALA 67 4.467 -2.456 -4.081 527 H ALA 68 H ALA 68 6.431 0.089 -2.195 528 HA ALA 68 HA ALA 68 8.852 -1.041 -3.106 529 HB1 ALA 68 HB1 ALA 68 8.367 1.392 -3.165 530 HB2 ALA 68 HB2 ALA 68 8.473 1.453 -1.392 531 HB3 ALA 68 HB3 ALA 68 9.904 1.045 -2.347 532 H TYR 69 H TYR 69 7.920 -0.236 0.265 533 HA TYR 69 HA TYR 69 10.279 -1.243 1.489 534 HB2 TYR 69 HB2 TYR 69 8.892 0.264 2.682 535 HB3 TYR 69 HB3 TYR 69 7.443 -0.680 2.387 536 HD1 TYR 69 HD1 TYR 69 10.218 -0.155 4.738 537 HD2 TYR 69 HD2 TYR 69 7.036 -2.814 3.501 538 HE1 TYR 69 HE1 TYR 69 10.371 -1.364 6.883 539 HE2 TYR 69 HE2 TYR 69 7.184 -4.026 5.619 540 HH TYR 69 HH TYR 69 9.731 -3.928 7.733 541 H HIS 70 H HIS 70 7.078 -2.903 0.963 542 HA HIS 70 HA HIS 70 7.834 -5.310 2.104 543 HB2 HIS 70 HB2 HIS 70 5.584 -4.958 1.874 544 HB3 HIS 70 HB3 HIS 70 5.693 -4.393 0.214 545 HD1 HIS 70 HD1 HIS 70 4.979 -7.566 2.119 546 HD2 HIS 70 HD2 HIS 70 5.916 -6.223 -1.761 547 HE1 HIS 70 HE1 HIS 70 4.259 -9.412 0.502 548 H ALA 71 H ALA 71 8.190 -4.211 -1.321 549 HA ALA 71 HA ALA 71 9.038 -6.697 -2.323 550 HB1 ALA 71 HB1 ALA 71 9.831 -3.908 -3.208 551 HB2 ALA 71 HB2 ALA 71 10.065 -5.419 -4.130 552 HB3 ALA 71 HB3 ALA 71 8.421 -4.873 -3.763 553 H LYS 72 H LYS 72 10.782 -4.580 -0.140 554 HA LYS 72 HA LYS 72 13.392 -5.437 -1.059 555 HB2 LYS 72 HB2 LYS 72 14.334 -4.427 0.734 556 HB3 LYS 72 HB3 LYS 72 12.853 -3.475 0.593 557 HG2 LYS 72 HG2 LYS 72 11.927 -4.766 2.555 558 HG3 LYS 72 HG3 LYS 72 13.390 -5.723 2.560 559 HD2 LYS 72 HD2 LYS 72 13.549 -4.108 4.281 560 HD3 LYS 72 HD3 LYS 72 14.781 -3.813 3.043 561 HE2 LYS 72 HE2 LYS 72 13.299 -2.015 2.079 562 HE3 LYS 72 HE3 LYS 72 12.171 -2.278 3.419 563 HZ1 LYS 72 HZ1 LYS 72 15.005 -1.472 3.672 564 HZ2 LYS 72 HZ2 LYS 72 13.995 -1.735 4.939 565 HZ3 LYS 72 HZ3 LYS 72 13.741 -0.473 3.870 566 H HIS 73 H HIS 73 10.837 -6.971 0.741 567 HA HIS 73 HA HIS 73 12.720 -9.192 1.513 568 HB2 HIS 73 HB2 HIS 73 10.008 -8.452 2.648 569 HB3 HIS 73 HB3 HIS 73 11.007 -9.817 3.149 570 HD1 HIS 73 HD1 HIS 73 10.081 -6.845 4.612 571 HD2 HIS 73 HD2 HIS 73 13.842 -8.439 3.569 572 HE1 HIS 73 HE1 HIS 73 11.810 -5.617 6.032 573 H CYS 74 H CYS 74 9.516 -8.371 0.062 574 HA CYS 74 HA CYS 74 9.044 -11.171 -0.607 575 HB2 CYS 74 HB2 CYS 74 7.396 -9.145 0.010 576 HB3 CYS 74 HB3 CYS 74 7.518 -8.859 -1.729 577 H GLN 75 H GLN 75 10.513 -11.875 -2.013 578 HA GLN 75 HA GLN 75 10.679 -10.560 -4.666 579 HB2 GLN 75 HB2 GLN 75 13.125 -11.398 -3.014 580 HB3 GLN 75 HB3 GLN 75 13.144 -10.862 -4.705 581 HG2 GLN 75 HG2 GLN 75 12.198 -8.660 -3.984 582 HG3 GLN 75 HG3 GLN 75 12.257 -9.211 -2.301 583 HE21 GLN 75 HE21 GLN 75 14.198 -7.958 -4.995 584 HE22 GLN 75 HE22 GLN 75 15.598 -7.680 -3.965 585 H GLU 76 H GLU 76 9.336 -12.197 -5.389 586 HA GLU 76 HA GLU 76 10.503 -14.852 -5.563 587 HB2 GLU 76 HB2 GLU 76 8.403 -15.938 -5.106 588 HB3 GLU 76 HB3 GLU 76 9.057 -15.218 -3.676 589 HG2 GLU 76 HG2 GLU 76 7.336 -13.691 -3.462 590 HG3 GLU 76 HG3 GLU 76 7.071 -13.575 -5.205 591 H ASN 77 H ASN 77 8.700 -16.034 -7.215 592 HA ASN 77 HA ASN 77 8.907 -14.258 -9.541 593 HB2 ASN 77 HB2 ASN 77 8.140 -17.168 -9.206 594 HB3 ASN 77 HB3 ASN 77 7.893 -16.300 -10.730 595 HD21 ASN 77 HD21 ASN 77 9.747 -15.565 -11.952 596 HD22 ASN 77 HD22 ASN 77 11.378 -15.687 -11.292 597 H LYS 78 H LYS 78 6.282 -15.499 -7.415 598 HA LYS 78 HA LYS 78 4.466 -13.618 -8.812 599 HB2 LYS 78 HB2 LYS 78 4.128 -16.558 -8.397 600 HB3 LYS 78 HB3 LYS 78 2.712 -15.543 -8.209 601 HG2 LYS 78 HG2 LYS 78 2.494 -15.047 -10.371 602 HG3 LYS 78 HG3 LYS 78 4.213 -14.791 -10.620 603 HD2 LYS 78 HD2 LYS 78 3.499 -16.616 -11.970 604 HD3 LYS 78 HD3 LYS 78 4.651 -17.140 -10.758 605 HE2 LYS 78 HE2 LYS 78 2.854 -18.789 -11.098 606 HE3 LYS 78 HE3 LYS 78 2.864 -18.191 -9.436 607 HZ1 LYS 78 HZ1 LYS 78 1.101 -17.025 -11.496 608 HZ2 LYS 78 HZ2 LYS 78 0.967 -16.891 -9.866 609 HZ3 LYS 78 HZ3 LYS 78 0.623 -18.319 -10.591 610 H CYS 79 H CYS 79 5.513 -12.456 -6.983 611 HA CYS 79 HA CYS 79 4.972 -12.583 -4.351 612 HB2 CYS 79 HB2 CYS 79 5.195 -10.412 -6.403 613 HB3 CYS 79 HB3 CYS 79 4.323 -9.942 -4.989 614 HA PRO 80 HA PRO 80 0.511 -12.518 -4.029 615 HB2 PRO 80 HB2 PRO 80 0.082 -11.806 -1.421 616 HB3 PRO 80 HB3 PRO 80 0.806 -13.368 -1.908 617 HG2 PRO 80 HG2 PRO 80 2.249 -10.844 -1.026 618 HG3 PRO 80 HG3 PRO 80 2.493 -12.522 -0.457 619 HD2 PRO 80 HD2 PRO 80 4.061 -11.392 -2.403 620 HD3 PRO 80 HD3 PRO 80 3.633 -13.130 -2.439 621 H VAL 81 H VAL 81 2.169 -9.414 -3.040 622 HA VAL 81 HA VAL 81 -0.369 -8.001 -3.130 623 HB VAL 81 HB VAL 81 2.488 -7.074 -2.699 624 HG11 VAL 81 HG11 VAL 81 1.563 -4.930 -1.996 625 HG12 VAL 81 HG12 VAL 81 1.201 -5.217 -3.688 626 HG13 VAL 81 HG13 VAL 81 -0.070 -5.448 -2.460 627 HG21 VAL 81 HG21 VAL 81 1.657 -8.417 -0.879 628 HG22 VAL 81 HG22 VAL 81 1.693 -6.726 -0.391 629 HG23 VAL 81 HG23 VAL 81 0.143 -7.488 -0.832 630 HA PRO 82 HA PRO 82 -0.058 -7.579 -7.576 631 HB2 PRO 82 HB2 PRO 82 -1.889 -5.603 -8.078 632 HB3 PRO 82 HB3 PRO 82 -2.328 -7.282 -7.638 633 HG2 PRO 82 HG2 PRO 82 -2.151 -4.864 -5.826 634 HG3 PRO 82 HG3 PRO 82 -3.459 -6.091 -5.918 635 HD2 PRO 82 HD2 PRO 82 -1.512 -6.199 -4.025 636 HD3 PRO 82 HD3 PRO 82 -2.180 -7.682 -4.760 637 H PHE 83 H PHE 83 0.273 -4.678 -5.507 638 HA PHE 83 HA PHE 83 1.523 -3.089 -7.573 639 HB2 PHE 83 HB2 PHE 83 1.119 -2.838 -4.582 640 HB3 PHE 83 HB3 PHE 83 2.330 -1.852 -5.386 641 HD1 PHE 83 HD1 PHE 83 -0.947 -2.700 -7.045 642 HD2 PHE 83 HD2 PHE 83 1.415 0.241 -4.951 643 HE1 PHE 83 HE1 PHE 83 -2.496 -0.965 -7.755 644 HE2 PHE 83 HE2 PHE 83 -0.078 2.010 -5.742 645 HZ PHE 83 HZ PHE 83 -2.099 1.447 -7.117 646 H CYS 84 H CYS 84 2.830 -5.424 -5.118 647 HA CYS 84 HA CYS 84 5.521 -4.451 -5.577 648 HB2 CYS 84 HB2 CYS 84 6.279 -5.977 -4.057 649 HB3 CYS 84 HB3 CYS 84 4.700 -5.366 -3.450 650 H LEU 85 H LEU 85 3.448 -6.896 -6.864 651 HA LEU 85 HA LEU 85 5.268 -8.488 -8.286 652 HB2 LEU 85 HB2 LEU 85 2.760 -8.703 -8.016 653 HB3 LEU 85 HB3 LEU 85 2.569 -7.467 -9.249 654 HG LEU 85 HG LEU 85 3.985 -9.063 -10.779 655 HD11 LEU 85 HD11 LEU 85 3.000 -11.014 -8.632 656 HD12 LEU 85 HD12 LEU 85 4.697 -10.660 -9.031 657 HD13 LEU 85 HD13 LEU 85 3.666 -11.480 -10.206 658 HD21 LEU 85 HD21 LEU 85 1.625 -8.517 -11.135 659 HD22 LEU 85 HD22 LEU 85 1.148 -9.722 -9.923 660 HD23 LEU 85 HD23 LEU 85 1.908 -10.235 -11.445 661 H ASN 86 H ASN 86 3.994 -5.283 -8.967 662 HA ASN 86 HA ASN 86 5.020 -4.956 -11.657 663 HB2 ASN 86 HB2 ASN 86 3.254 -3.492 -10.625 664 HB3 ASN 86 HB3 ASN 86 4.485 -2.809 -9.549 665 HD21 ASN 86 HD21 ASN 86 3.502 -0.846 -10.703 666 HD22 ASN 86 HD22 ASN 86 4.208 -0.391 -12.266 667 H ILE 87 H ILE 87 6.271 -4.164 -8.407 668 HA ILE 87 HA ILE 87 8.728 -3.003 -9.179 669 HB ILE 87 HB ILE 87 8.137 -4.537 -6.609 670 HG12 ILE 87 HG12 ILE 87 7.762 -1.558 -7.179 671 HG13 ILE 87 HG13 ILE 87 6.448 -2.731 -7.105 672 HG21 ILE 87 HG21 ILE 87 10.181 -2.392 -7.228 673 HG22 ILE 87 HG22 ILE 87 9.900 -3.145 -5.633 674 HG23 ILE 87 HG23 ILE 87 10.516 -4.114 -6.952 675 HD11 ILE 87 HD11 ILE 87 7.189 -3.342 -4.772 676 HD12 ILE 87 HD12 ILE 87 8.249 -1.918 -4.844 677 HD13 ILE 87 HD13 ILE 87 6.496 -1.742 -4.982 678 H LYS 88 H LYS 88 7.905 -6.444 -8.367 679 HA LYS 88 HA LYS 88 10.484 -7.512 -8.603 680 HB2 LYS 88 HB2 LYS 88 8.679 -8.902 -7.819 681 HB3 LYS 88 HB3 LYS 88 7.754 -8.687 -9.296 682 HG2 LYS 88 HG2 LYS 88 8.736 -10.930 -9.154 683 HG3 LYS 88 HG3 LYS 88 9.315 -10.062 -10.577 684 HD2 LYS 88 HD2 LYS 88 11.421 -9.522 -9.430 685 HD3 LYS 88 HD3 LYS 88 10.821 -10.251 -7.945 686 HE2 LYS 88 HE2 LYS 88 12.324 -11.824 -8.875 687 HE3 LYS 88 HE3 LYS 88 10.705 -12.477 -9.128 688 HZ1 LYS 88 HZ1 LYS 88 12.304 -11.067 -11.199 689 HZ2 LYS 88 HZ2 LYS 88 10.863 -11.820 -11.452 690 HZ3 LYS 88 HZ3 LYS 88 12.174 -12.698 -11.040 691 H GLN 89 H GLN 89 8.074 -7.146 -11.151 692 HA GLN 89 HA GLN 89 9.702 -8.022 -13.311 693 HB2 GLN 89 HB2 GLN 89 7.326 -6.102 -13.309 694 HB3 GLN 89 HB3 GLN 89 8.079 -6.730 -14.768 695 HG2 GLN 89 HG2 GLN 89 6.647 -8.357 -12.629 696 HG3 GLN 89 HG3 GLN 89 6.096 -8.039 -14.271 697 HE21 GLN 89 HE21 GLN 89 8.367 -8.572 -15.815 698 HE22 GLN 89 HE22 GLN 89 9.016 -10.156 -15.481 699 H LYS 90 H LYS 90 9.160 -4.677 -12.105 700 HA LYS 90 HA LYS 90 10.829 -3.435 -14.059 701 HB2 LYS 90 HB2 LYS 90 10.003 -2.593 -11.252 702 HB3 LYS 90 HB3 LYS 90 10.897 -1.554 -12.363 703 HG2 LYS 90 HG2 LYS 90 9.077 -1.478 -13.944 704 HG3 LYS 90 HG3 LYS 90 8.203 -2.761 -13.107 705 HD2 LYS 90 HD2 LYS 90 7.162 -0.681 -12.488 706 HD3 LYS 90 HD3 LYS 90 8.043 -1.282 -11.072 707 HE2 LYS 90 HE2 LYS 90 10.007 0.221 -11.910 708 HE3 LYS 90 HE3 LYS 90 8.824 0.945 -13.002 709 HZ1 LYS 90 HZ1 LYS 90 8.964 2.230 -11.062 710 HZ2 LYS 90 HZ2 LYS 90 8.795 0.930 -10.057 711 HZ3 LYS 90 HZ3 LYS 90 7.503 1.446 -10.944 712 H GLY 91 H GLY 91 11.597 -4.630 -10.765 713 HA2 GLY 91 HA2 GLY 91 13.543 -5.095 -9.725 714 HA3 GLY 91 HA3 GLY 91 14.312 -5.068 -11.312 715 H THR 92 H THR 92 13.081 -2.025 -11.170 716 HA THR 92 HA THR 92 15.438 -0.686 -10.802 717 HB THR 92 HB THR 92 13.993 1.349 -10.691 718 HG1 THR 92 HG1 THR 92 11.911 1.197 -10.534 719 HG21 THR 92 HG21 THR 92 14.555 0.360 -12.874 720 HG22 THR 92 HG22 THR 92 12.925 1.045 -12.877 721 HG23 THR 92 HG23 THR 92 13.141 -0.705 -12.785 722 H ILE 93 H ILE 93 13.754 -2.051 -8.172 723 HA ILE 93 HA ILE 93 14.429 0.066 -6.275 724 HB ILE 93 HB ILE 93 13.801 -1.570 -4.507 725 HG12 ILE 93 HG12 ILE 93 12.218 -3.456 -5.492 726 HG13 ILE 93 HG13 ILE 93 13.343 -3.453 -6.838 727 HG21 ILE 93 HG21 ILE 93 12.312 0.132 -5.361 728 HG22 ILE 93 HG22 ILE 93 11.776 -0.938 -6.667 729 HG23 ILE 93 HG23 ILE 93 11.408 -1.334 -4.971 730 HD11 ILE 93 HD11 ILE 93 13.914 -5.176 -5.236 731 HD12 ILE 93 HD12 ILE 93 15.174 -3.943 -5.108 732 HD13 ILE 93 HD13 ILE 93 13.884 -4.027 -3.894 733 H GLU 94 H GLU 94 15.962 -2.896 -7.536 734 HA GLU 94 HA GLU 94 17.851 -3.016 -5.377 735 HB2 GLU 94 HB2 GLU 94 16.865 -4.901 -6.880 736 HB3 GLU 94 HB3 GLU 94 18.182 -4.496 -7.985 737 HG2 GLU 94 HG2 GLU 94 19.767 -4.737 -6.012 738 HG3 GLU 94 HG3 GLU 94 18.395 -5.235 -5.027 739 H GLY 95 H GLY 95 18.947 -1.174 -5.184 740 HA2 GLY 95 HA2 GLY 95 21.198 -0.317 -5.606 741 HA3 GLY 95 HA3 GLY 95 20.858 -0.363 -7.345 742 H ARG 96 H ARG 96 20.796 1.611 -4.593 743 HA ARG 96 HA ARG 96 19.971 3.487 -3.893 744 HB2 ARG 96 HB2 ARG 96 19.750 4.166 -6.807 745 HB3 ARG 96 HB3 ARG 96 20.125 5.230 -5.442 746 HG2 ARG 96 HG2 ARG 96 21.979 3.107 -6.541 747 HG3 ARG 96 HG3 ARG 96 22.030 4.806 -6.964 748 HD2 ARG 96 HD2 ARG 96 22.705 5.471 -4.787 749 HD3 ARG 96 HD3 ARG 96 22.311 3.898 -4.079 750 HE ARG 96 HE ARG 96 24.502 4.475 -6.026 751 HH11 ARG 96 HH11 ARG 96 23.370 2.402 -3.330 752 HH12 ARG 96 HH12 ARG 96 24.372 1.083 -3.754 753 HH21 ARG 96 HH21 ARG 96 25.908 2.739 -6.489 754 HH22 ARG 96 HH22 ARG 96 25.696 1.212 -5.717 755 H GLY 97 H GLY 97 17.744 1.519 -5.298 756 HA2 GLY 97 HA2 GLY 97 15.498 3.332 -5.562 757 HA3 GLY 97 HA3 GLY 97 15.544 1.571 -5.661 758 H ASN 98 H ASN 98 13.462 2.142 -4.461 759 HA ASN 98 HA ASN 98 12.158 1.881 -2.637 760 HB2 ASN 98 HB2 ASN 98 13.696 -0.128 -2.376 761 HB3 ASN 98 HB3 ASN 98 14.564 0.793 -1.139 762 HD21 ASN 98 HD21 ASN 98 13.168 -1.671 -0.798 763 HD22 ASN 98 HD22 ASN 98 11.627 -1.424 -0.053 764 H GLU 99 H GLU 99 12.224 4.253 -2.842 765 HA GLU 99 HA GLU 99 13.091 5.516 -0.302 766 HB2 GLU 99 HB2 GLU 99 13.671 6.547 -3.110 767 HB3 GLU 99 HB3 GLU 99 13.710 7.537 -1.666 768 HG2 GLU 99 HG2 GLU 99 15.313 5.486 -0.845 769 HG3 GLU 99 HG3 GLU 99 15.623 5.452 -2.577 770 H PHE 100 H PHE 100 11.112 5.802 0.530 771 HA PHE 100 HA PHE 100 9.286 7.625 -0.837 772 HB2 PHE 100 HB2 PHE 100 8.696 4.955 -1.080 773 HB3 PHE 100 HB3 PHE 100 7.866 5.314 0.429 774 HD1 PHE 100 HD1 PHE 100 7.294 5.021 -2.983 775 HD2 PHE 100 HD2 PHE 100 6.670 7.900 0.199 776 HE1 PHE 100 HE1 PHE 100 5.478 6.087 -4.268 777 HE2 PHE 100 HE2 PHE 100 4.868 8.931 -1.107 778 HZ PHE 100 HZ PHE 100 4.217 7.994 -3.326 779 H LEU 101 H LEU 101 8.959 9.198 0.635 780 HA LEU 101 HA LEU 101 8.823 8.605 3.526 781 HB2 LEU 101 HB2 LEU 101 10.741 10.582 2.219 782 HB3 LEU 101 HB3 LEU 101 10.268 10.661 3.905 783 HG LEU 101 HG LEU 101 11.732 8.311 2.630 784 HD11 LEU 101 HD11 LEU 101 13.106 10.370 2.739 785 HD12 LEU 101 HD12 LEU 101 13.702 9.127 3.850 786 HD13 LEU 101 HD13 LEU 101 12.767 10.507 4.474 787 HD21 LEU 101 HD21 LEU 101 11.120 8.888 5.563 788 HD22 LEU 101 HD22 LEU 101 12.167 7.591 4.949 789 HD23 LEU 101 HD23 LEU 101 10.444 7.563 4.595 790 H SER 102 H SER 102 6.628 8.998 3.365 791 HA SER 102 HA SER 102 5.684 11.547 2.224 792 HB2 SER 102 HB2 SER 102 3.433 10.254 2.676 793 HB3 SER 102 HB3 SER 102 4.483 9.798 1.329 794 HG SER 102 HG SER 102 3.911 7.949 2.298 795 HA PRO 103 HA PRO 103 4.822 13.175 6.286 796 HB2 PRO 103 HB2 PRO 103 2.770 14.902 5.857 797 HB3 PRO 103 HB3 PRO 103 4.333 15.116 5.031 798 HG2 PRO 103 HG2 PRO 103 1.829 13.793 3.945 799 HG3 PRO 103 HG3 PRO 103 2.849 15.050 3.171 800 HD2 PRO 103 HD2 PRO 103 3.107 12.350 2.687 801 HD3 PRO 103 HD3 PRO 103 4.478 13.490 2.575 802 H GLU 104 H GLU 104 2.518 13.681 7.633 803 HA GLU 104 HA GLU 104 1.552 11.216 8.449 804 HB2 GLU 104 HB2 GLU 104 0.291 13.954 8.837 805 HB3 GLU 104 HB3 GLU 104 -0.136 12.476 9.716 806 HG2 GLU 104 HG2 GLU 104 2.406 12.297 10.254 807 HG3 GLU 104 HG3 GLU 104 2.486 13.997 9.758 808 H VAL 105 H VAL 105 0.546 12.750 5.565 809 HA VAL 105 HA VAL 105 -2.161 11.932 5.451 810 HB VAL 105 HB VAL 105 -0.132 12.179 3.224 811 HG11 VAL 105 HG11 VAL 105 -2.012 10.809 2.394 812 HG12 VAL 105 HG12 VAL 105 -3.171 11.988 3.038 813 HG13 VAL 105 HG13 VAL 105 -2.091 12.422 1.686 814 HG21 VAL 105 HG21 VAL 105 -1.335 14.339 2.817 815 HG22 VAL 105 HG22 VAL 105 -2.279 14.064 4.276 816 HG23 VAL 105 HG23 VAL 105 -0.526 14.288 4.400 817 H PHE 106 H PHE 106 0.792 10.049 5.352 818 HA PHE 106 HA PHE 106 -0.118 7.654 4.136 819 HB2 PHE 106 HB2 PHE 106 2.225 7.999 4.760 820 HB3 PHE 106 HB3 PHE 106 1.794 8.192 6.457 821 HD1 PHE 106 HD1 PHE 106 2.059 5.715 3.663 822 HD2 PHE 106 HD2 PHE 106 1.358 6.257 7.898 823 HE1 PHE 106 HE1 PHE 106 2.263 3.334 3.999 824 HE2 PHE 106 HE2 PHE 106 1.519 3.809 8.224 825 HZ PHE 106 HZ PHE 106 2.027 2.318 6.303 826 H GLN 107 H GLN 107 -0.437 8.909 7.483 827 HA GLN 107 HA GLN 107 -2.004 6.643 8.394 828 HB2 GLN 107 HB2 GLN 107 -0.727 9.047 9.581 829 HB3 GLN 107 HB3 GLN 107 -2.239 8.564 10.345 830 HG2 GLN 107 HG2 GLN 107 -1.419 6.471 11.013 831 HG3 GLN 107 HG3 GLN 107 -0.198 6.424 9.745 832 HE21 GLN 107 HE21 GLN 107 -0.819 7.624 13.082 833 HE22 GLN 107 HE22 GLN 107 0.822 8.205 13.265 834 H HIS 108 H HIS 108 -2.726 9.898 7.128 835 HA HIS 108 HA HIS 108 -5.450 9.957 7.939 836 HB2 HIS 108 HB2 HIS 108 -4.427 10.932 5.244 837 HB3 HIS 108 HB3 HIS 108 -5.925 11.384 6.029 838 HD1 HIS 108 HD1 HIS 108 -4.751 13.826 5.348 839 HD2 HIS 108 HD2 HIS 108 -3.061 11.606 8.513 840 HE1 HIS 108 HE1 HIS 108 -3.169 15.392 6.534 841 H ILE 109 H ILE 109 -3.880 8.410 5.125 842 HA ILE 109 HA ILE 109 -6.140 7.462 3.779 843 HB ILE 109 HB ILE 109 -3.297 6.486 3.925 844 HG12 ILE 109 HG12 ILE 109 -4.742 7.911 1.644 845 HG13 ILE 109 HG13 ILE 109 -3.956 8.812 2.925 846 HG21 ILE 109 HG21 ILE 109 -3.737 5.231 1.819 847 HG22 ILE 109 HG22 ILE 109 -4.534 4.554 3.219 848 HG23 ILE 109 HG23 ILE 109 -5.465 5.511 2.030 849 HD11 ILE 109 HD11 ILE 109 -2.453 8.679 1.062 850 HD12 ILE 109 HD12 ILE 109 -1.782 7.694 2.379 851 HD13 ILE 109 HD13 ILE 109 -2.584 6.918 0.993 852 H TRP 110 H TRP 110 -4.399 6.076 6.624 853 HA TRP 110 HA TRP 110 -6.013 3.648 6.439 854 HB2 TRP 110 HB2 TRP 110 -4.211 4.456 8.730 855 HB3 TRP 110 HB3 TRP 110 -4.836 2.846 8.332 856 HD1 TRP 110 HD1 TRP 110 -1.718 4.424 8.284 857 HE1 TRP 110 HE1 TRP 110 -0.182 3.726 6.390 858 HE3 TRP 110 HE3 TRP 110 -5.152 2.118 5.223 859 HZ2 TRP 110 HZ2 TRP 110 -0.433 2.597 3.748 860 HZ3 TRP 110 HZ3 TRP 110 -4.478 1.269 3.054 861 HH2 TRP 110 HH2 TRP 110 -2.128 1.509 2.246 862 H ASP 111 H ASP 111 -6.069 6.679 8.206 863 HA ASP 111 HA ASP 111 -7.961 5.942 10.239 864 HB2 ASP 111 HB2 ASP 111 -6.582 7.928 10.428 865 HB3 ASP 111 HB3 ASP 111 -7.196 8.564 8.904 866 H PHE 112 H PHE 112 -8.372 7.368 6.959 867 HA PHE 112 HA PHE 112 -11.238 7.237 7.275 868 HB2 PHE 112 HB2 PHE 112 -11.483 8.476 5.450 869 HB3 PHE 112 HB3 PHE 112 -9.793 8.855 5.705 870 HD1 PHE 112 HD1 PHE 112 -12.246 7.234 3.504 871 HD2 PHE 112 HD2 PHE 112 -8.083 7.568 4.424 872 HE1 PHE 112 HE1 PHE 112 -11.698 6.046 1.389 873 HE2 PHE 112 HE2 PHE 112 -7.499 6.356 2.303 874 HZ PHE 112 HZ PHE 112 -9.331 5.631 0.778 875 H LEU 113 H LEU 113 -8.913 4.826 6.382 876 HA LEU 113 HA LEU 113 -10.283 3.403 4.409 877 HB2 LEU 113 HB2 LEU 113 -8.812 1.747 4.654 878 HB3 LEU 113 HB3 LEU 113 -7.962 2.994 5.518 879 HG LEU 113 HG LEU 113 -8.962 1.896 7.692 880 HD11 LEU 113 HD11 LEU 113 -10.545 0.337 6.741 881 HD12 LEU 113 HD12 LEU 113 -9.238 -0.597 7.424 882 HD13 LEU 113 HD13 LEU 113 -9.322 -0.353 5.655 883 HD21 LEU 113 HD21 LEU 113 -6.600 1.766 7.190 884 HD22 LEU 113 HD22 LEU 113 -6.866 0.539 5.932 885 HD23 LEU 113 HD23 LEU 113 -7.124 0.166 7.654 886 H GLU 114 H GLU 114 -10.939 3.559 7.797 887 HA GLU 114 HA GLU 114 -13.034 1.452 7.675 888 HB2 GLU 114 HB2 GLU 114 -12.156 3.226 9.996 889 HB3 GLU 114 HB3 GLU 114 -13.398 1.980 10.062 890 HG2 GLU 114 HG2 GLU 114 -11.294 0.547 9.025 891 HG3 GLU 114 HG3 GLU 114 -10.433 1.698 10.055 892 H GLN 115 H GLN 115 -12.792 4.977 7.665 893 HA GLN 115 HA GLN 115 -15.533 5.516 8.388 894 HB2 GLN 115 HB2 GLN 115 -13.308 7.109 7.041 895 HB3 GLN 115 HB3 GLN 115 -14.829 7.838 7.441 896 HG2 GLN 115 HG2 GLN 115 -14.544 7.451 9.807 897 HG3 GLN 115 HG3 GLN 115 -13.086 6.486 9.521 898 HE21 GLN 115 HE21 GLN 115 -11.636 7.795 10.696 899 HE22 GLN 115 HE22 GLN 115 -11.111 9.334 10.087 900 HA PRO 116 HA PRO 116 -17.518 5.339 4.368 901 HB2 PRO 116 HB2 PRO 116 -19.445 7.262 4.545 902 HB3 PRO 116 HB3 PRO 116 -19.474 5.869 5.654 903 HG2 PRO 116 HG2 PRO 116 -18.289 8.608 6.193 904 HG3 PRO 116 HG3 PRO 116 -19.481 7.690 7.164 905 HD2 PRO 116 HD2 PRO 116 -16.851 7.597 7.745 906 HD3 PRO 116 HD3 PRO 116 -17.858 6.139 7.887 907 H ILE 117 H ILE 117 -18.260 7.163 2.615 908 HA ILE 117 HA ILE 117 -17.711 8.763 1.137 909 HB ILE 117 HB ILE 117 -16.218 10.261 3.301 910 HG12 ILE 117 HG12 ILE 117 -19.205 10.425 2.696 911 HG13 ILE 117 HG13 ILE 117 -18.508 9.701 4.144 912 HG21 ILE 117 HG21 ILE 117 -16.780 12.209 1.934 913 HG22 ILE 117 HG22 ILE 117 -15.920 11.007 1.004 914 HG23 ILE 117 HG23 ILE 117 -17.683 11.167 0.804 915 HD11 ILE 117 HD11 ILE 117 -19.164 11.873 4.803 916 HD12 ILE 117 HD12 ILE 117 -17.403 11.925 4.656 917 HD13 ILE 117 HD13 ILE 117 -18.441 12.622 3.380 918 H SER 118 H SER 118 -16.633 7.097 0.141 919 HA SER 118 HA SER 118 -13.653 7.207 0.139 920 HB2 SER 118 HB2 SER 118 -14.869 5.195 1.127 921 HB3 SER 118 HB3 SER 118 -15.400 4.815 -0.522 922 HG SER 118 HG SER 118 -13.330 4.451 -1.095 923 H SER 119 H SER 119 -16.189 8.373 -1.553 924 HA SER 119 HA SER 119 -15.689 7.512 -4.249 925 HB2 SER 119 HB2 SER 119 -17.817 8.639 -2.983 926 HB3 SER 119 HB3 SER 119 -17.048 10.115 -3.609 927 HG SER 119 HG SER 119 -18.249 9.565 -5.227 928 H VAL 120 H VAL 120 -13.506 9.000 -2.503 929 HA VAL 120 HA VAL 120 -12.737 11.289 -3.822 930 HB VAL 120 HB VAL 120 -11.817 10.686 -1.744 931 HG11 VAL 120 HG11 VAL 120 -10.283 8.865 -1.288 932 HG12 VAL 120 HG12 VAL 120 -11.828 8.229 -1.809 933 HG13 VAL 120 HG13 VAL 120 -10.449 8.239 -2.935 934 HG21 VAL 120 HG21 VAL 120 -9.451 11.059 -2.037 935 HG22 VAL 120 HG22 VAL 120 -9.509 10.510 -3.722 936 HG23 VAL 120 HG23 VAL 120 -10.336 12.010 -3.237 937 H GLN 121 H GLN 121 -13.059 11.252 -5.932 938 HA GLN 121 HA GLN 121 -11.198 9.687 -7.658 939 HB2 GLN 121 HB2 GLN 121 -12.889 9.366 -9.318 940 HB3 GLN 121 HB3 GLN 121 -13.426 8.710 -7.783 941 HG2 GLN 121 HG2 GLN 121 -14.748 10.996 -7.550 942 HG3 GLN 121 HG3 GLN 121 -14.488 11.118 -9.286 943 HE21 GLN 121 HE21 GLN 121 -16.030 9.227 -6.757 944 HE22 GLN 121 HE22 GLN 121 -17.131 8.347 -7.822 945 HA PRO 122 HA PRO 122 -10.816 14.334 -8.043 946 HB2 PRO 122 HB2 PRO 122 -8.033 14.418 -8.163 947 HB3 PRO 122 HB3 PRO 122 -8.990 14.554 -6.667 948 HG2 PRO 122 HG2 PRO 122 -7.617 12.116 -7.771 949 HG3 PRO 122 HG3 PRO 122 -7.693 12.693 -6.083 950 HD2 PRO 122 HD2 PRO 122 -9.303 10.690 -7.019 951 HD3 PRO 122 HD3 PRO 122 -9.871 11.866 -5.793 952 H ILE 123 H ILE 123 -10.147 15.479 -9.936 953 HA ILE 123 HA ILE 123 -9.340 13.817 -12.292 954 HB ILE 123 HB ILE 123 -10.941 15.068 -13.635 955 HG12 ILE 123 HG12 ILE 123 -12.147 16.250 -11.105 956 HG13 ILE 123 HG13 ILE 123 -11.062 17.150 -12.160 957 HG21 ILE 123 HG21 ILE 123 -11.520 12.898 -12.554 958 HG22 ILE 123 HG22 ILE 123 -12.411 13.801 -11.303 959 HG23 ILE 123 HG23 ILE 123 -12.926 13.882 -13.000 960 HD11 ILE 123 HD11 ILE 123 -13.345 17.727 -12.688 961 HD12 ILE 123 HD12 ILE 123 -12.607 16.871 -14.059 962 HD13 ILE 123 HD13 ILE 123 -13.757 16.035 -12.993 963 H ASP 124 H ASP 124 -9.062 16.652 -10.404 964 HA ASP 124 HA ASP 124 -7.479 18.274 -12.218 965 HB2 ASP 124 HB2 ASP 124 -7.926 19.934 -10.441 966 HB3 ASP 124 HB3 ASP 124 -9.416 19.222 -11.068 Start of MODEL 17 1 H1 ALA 1 H ALA 1 25.239 -1.348 2.182 2 HA ALA 1 HA ALA 1 26.702 -0.640 4.658 3 HB1 ALA 1 HB1 ALA 1 27.878 1.044 3.244 4 HB2 ALA 1 HB2 ALA 1 28.185 -0.609 2.702 5 HB3 ALA 1 HB3 ALA 1 27.037 0.419 1.812 6 H THR 2 H THR 2 26.231 1.266 5.647 7 HA THR 2 HA THR 2 25.088 2.958 6.436 8 HB THR 2 HB THR 2 24.452 3.681 3.570 9 HG1 THR 2 HG1 THR 2 26.448 3.821 3.300 10 HG21 THR 2 HG21 THR 2 23.395 5.152 5.267 11 HG22 THR 2 HG22 THR 2 24.682 5.984 4.382 12 HG23 THR 2 HG23 THR 2 24.986 5.404 6.031 13 H GLN 3 H GLN 3 23.416 2.284 7.667 14 HA GLN 3 HA GLN 3 20.770 1.888 6.342 15 HB2 GLN 3 HB2 GLN 3 21.675 -0.223 7.316 16 HB3 GLN 3 HB3 GLN 3 21.733 0.568 8.902 17 HG2 GLN 3 HG2 GLN 3 19.235 1.019 8.654 18 HG3 GLN 3 HG3 GLN 3 19.267 0.068 7.169 19 HE21 GLN 3 HE21 GLN 3 19.142 -2.246 7.375 20 HE22 GLN 3 HE22 GLN 3 19.198 -3.038 8.927 21 H SER 4 H SER 4 19.724 3.781 6.626 22 HA SER 4 HA SER 4 20.355 5.672 8.726 23 HB2 SER 4 HB2 SER 4 18.043 5.338 6.773 24 HB3 SER 4 HB3 SER 4 18.299 6.789 7.761 25 HG SER 4 HG SER 4 19.759 7.428 6.426 26 HA PRO 5 HA PRO 5 17.644 4.015 11.843 27 HB2 PRO 5 HB2 PRO 5 16.665 6.171 13.183 28 HB3 PRO 5 HB3 PRO 5 18.392 5.689 13.217 29 HG2 PRO 5 HG2 PRO 5 17.103 7.828 11.507 30 HG3 PRO 5 HG3 PRO 5 18.606 7.909 12.479 31 HD2 PRO 5 HD2 PRO 5 18.599 7.402 9.780 32 HD3 PRO 5 HD3 PRO 5 19.825 6.712 10.881 33 H GLY 6 H GLY 6 16.072 2.971 10.661 34 HA2 GLY 6 HA2 GLY 6 13.557 4.424 10.014 35 HA3 GLY 6 HA3 GLY 6 14.312 3.249 8.931 36 H ASP 7 H ASP 7 14.488 2.659 12.414 37 HA ASP 7 HA ASP 7 13.254 0.107 12.185 38 HB2 ASP 7 HB2 ASP 7 13.581 -0.191 14.419 39 HB3 ASP 7 HB3 ASP 7 14.925 0.829 13.936 40 H SER 8 H SER 8 12.009 3.242 13.540 41 HA SER 8 HA SER 8 9.425 2.162 14.044 42 HB2 SER 8 HB2 SER 8 10.625 4.862 14.040 43 HB3 SER 8 HB3 SER 8 8.897 4.817 13.644 44 HG SER 8 HG SER 8 9.478 4.876 15.960 45 H ARG 9 H ARG 9 10.864 3.510 11.084 46 HA ARG 9 HA ARG 9 8.388 3.678 9.623 47 HB2 ARG 9 HB2 ARG 9 11.192 3.169 8.539 48 HB3 ARG 9 HB3 ARG 9 9.793 3.569 7.565 49 HG2 ARG 9 HG2 ARG 9 10.991 5.385 9.714 50 HG3 ARG 9 HG3 ARG 9 11.329 5.476 7.985 51 HD2 ARG 9 HD2 ARG 9 8.861 5.844 7.564 52 HD3 ARG 9 HD3 ARG 9 8.633 5.923 9.321 53 HE ARG 9 HE ARG 9 9.632 7.960 9.426 54 HH11 ARG 9 HH11 ARG 9 9.739 6.907 6.003 55 HH12 ARG 9 HH12 ARG 9 10.836 8.150 5.536 56 HH21 ARG 9 HH21 ARG 9 10.859 9.748 8.692 57 HH22 ARG 9 HH22 ARG 9 11.444 9.817 7.076 58 H ARG 10 H ARG 10 10.841 1.009 9.854 59 HA ARG 10 HA ARG 10 9.390 -0.679 8.102 60 HB2 ARG 10 HB2 ARG 10 10.763 -2.493 8.758 61 HB3 ARG 10 HB3 ARG 10 11.758 -1.043 8.658 62 HG2 ARG 10 HG2 ARG 10 11.830 -0.954 11.087 63 HG3 ARG 10 HG3 ARG 10 10.773 -2.368 11.213 64 HD2 ARG 10 HD2 ARG 10 12.943 -3.165 11.563 65 HD3 ARG 10 HD3 ARG 10 12.582 -3.618 9.884 66 HE ARG 10 HE ARG 10 13.852 -1.232 9.541 67 HH11 ARG 10 HH11 ARG 10 14.789 -4.280 11.150 68 HH12 ARG 10 HH12 ARG 10 16.484 -3.832 11.130 69 HH21 ARG 10 HH21 ARG 10 16.093 -0.626 9.840 70 HH22 ARG 10 HH22 ARG 10 17.191 -1.851 10.334 71 H LEU 11 H LEU 11 9.197 -0.618 11.733 72 HA LEU 11 HA LEU 11 7.095 -2.545 11.675 73 HB2 LEU 11 HB2 LEU 11 6.769 -2.113 14.021 74 HB3 LEU 11 HB3 LEU 11 8.454 -2.289 13.587 75 HG LEU 11 HG LEU 11 8.333 0.396 13.486 76 HD11 LEU 11 HD11 LEU 11 6.005 0.679 14.090 77 HD12 LEU 11 HD12 LEU 11 7.012 1.243 15.421 78 HD13 LEU 11 HD13 LEU 11 6.209 -0.336 15.533 79 HD21 LEU 11 HD21 LEU 11 8.668 -1.258 16.008 80 HD22 LEU 11 HD22 LEU 11 9.226 0.423 15.796 81 HD23 LEU 11 HD23 LEU 11 9.913 -0.870 14.808 82 H SER 12 H SER 12 6.936 0.975 11.304 83 HA SER 12 HA SER 12 4.097 1.229 11.769 84 HB2 SER 12 HB2 SER 12 5.679 3.104 11.928 85 HB3 SER 12 HB3 SER 12 6.118 2.919 10.229 86 HG SER 12 HG SER 12 3.401 3.375 10.863 87 H ILE 13 H ILE 13 6.111 1.062 8.772 88 HA ILE 13 HA ILE 13 3.922 0.924 7.009 89 HB ILE 13 HB ILE 13 6.820 0.051 6.723 90 HG12 ILE 13 HG12 ILE 13 5.354 2.452 5.527 91 HG13 ILE 13 HG13 ILE 13 6.186 2.532 7.075 92 HG21 ILE 13 HG21 ILE 13 6.246 0.148 4.217 93 HG22 ILE 13 HG22 ILE 13 5.651 -1.248 5.132 94 HG23 ILE 13 HG23 ILE 13 4.564 0.095 4.777 95 HD11 ILE 13 HD11 ILE 13 7.501 1.968 4.398 96 HD12 ILE 13 HD12 ILE 13 7.658 3.412 5.407 97 HD13 ILE 13 HD13 ILE 13 8.323 1.867 5.974 98 H GLN 14 H GLN 14 5.759 -1.743 8.654 99 HA GLN 14 HA GLN 14 4.406 -3.807 7.345 100 HB2 GLN 14 HB2 GLN 14 5.764 -3.590 10.046 101 HB3 GLN 14 HB3 GLN 14 4.911 -5.062 9.634 102 HG2 GLN 14 HG2 GLN 14 7.110 -3.879 7.904 103 HG3 GLN 14 HG3 GLN 14 7.360 -5.135 9.113 104 HE21 GLN 14 HE21 GLN 14 7.081 -7.299 8.431 105 HE22 GLN 14 HE22 GLN 14 6.201 -7.760 6.993 106 H ARG 15 H ARG 15 3.169 -1.808 10.035 107 HA ARG 15 HA ARG 15 0.943 -3.562 10.575 108 HB2 ARG 15 HB2 ARG 15 1.800 -1.712 12.117 109 HB3 ARG 15 HB3 ARG 15 1.135 -0.529 10.994 110 HG2 ARG 15 HG2 ARG 15 -1.149 -1.460 11.373 111 HG3 ARG 15 HG3 ARG 15 -0.463 -2.647 12.499 112 HD2 ARG 15 HD2 ARG 15 0.356 -0.757 13.934 113 HD3 ARG 15 HD3 ARG 15 -0.349 0.391 12.792 114 HE ARG 15 HE ARG 15 -2.510 -0.122 13.518 115 HH11 ARG 15 HH11 ARG 15 -0.261 -2.365 15.146 116 HH12 ARG 15 HH12 ARG 15 -1.492 -2.831 16.310 117 HH21 ARG 15 HH21 ARG 15 -3.994 -0.804 14.962 118 HH22 ARG 15 HH22 ARG 15 -3.645 -1.990 16.190 119 H ALA 16 H ALA 16 1.461 -0.834 8.289 120 HA ALA 16 HA ALA 16 -1.308 -0.796 7.469 121 HB1 ALA 16 HB1 ALA 16 1.189 0.208 6.029 122 HB2 ALA 16 HB2 ALA 16 -0.489 0.539 5.555 123 HB3 ALA 16 HB3 ALA 16 0.127 1.152 7.104 124 H ILE 17 H ILE 17 1.677 -2.241 6.126 125 HA ILE 17 HA ILE 17 0.450 -3.404 3.841 126 HB ILE 17 HB ILE 17 3.087 -4.012 5.224 127 HG12 ILE 17 HG12 ILE 17 2.227 -2.275 2.887 128 HG13 ILE 17 HG13 ILE 17 3.034 -1.781 4.378 129 HG21 ILE 17 HG21 ILE 17 2.360 -5.983 3.878 130 HG22 ILE 17 HG22 ILE 17 2.162 -4.929 2.461 131 HG23 ILE 17 HG23 ILE 17 3.766 -5.229 3.189 132 HD11 ILE 17 HD11 ILE 17 4.208 -3.214 2.007 133 HD12 ILE 17 HD12 ILE 17 4.728 -1.704 2.734 134 HD13 ILE 17 HD13 ILE 17 5.005 -3.229 3.608 135 H GLN 18 H GLN 18 0.863 -4.814 7.162 136 HA GLN 18 HA GLN 18 0.378 -7.450 6.345 137 HB2 GLN 18 HB2 GLN 18 -0.042 -7.994 8.588 138 HB3 GLN 18 HB3 GLN 18 1.125 -6.675 8.590 139 HG2 GLN 18 HG2 GLN 18 -0.789 -5.117 9.029 140 HG3 GLN 18 HG3 GLN 18 -1.803 -6.514 9.282 141 HE21 GLN 18 HE21 GLN 18 -2.152 -6.473 11.546 142 HE22 GLN 18 HE22 GLN 18 -0.881 -6.312 12.732 143 H SER 19 H SER 19 -1.954 -4.850 6.908 144 HA SER 19 HA SER 19 -4.218 -6.612 6.611 145 HB2 SER 19 HB2 SER 19 -4.028 -3.567 6.524 146 HB3 SER 19 HB3 SER 19 -5.530 -4.499 6.579 147 HG SER 19 HG SER 19 -4.714 -5.491 8.526 148 H LEU 20 H LEU 20 -2.378 -4.511 4.422 149 HA LEU 20 HA LEU 20 -4.090 -4.674 2.157 150 HB2 LEU 20 HB2 LEU 20 -2.373 -2.960 2.319 151 HB3 LEU 20 HB3 LEU 20 -1.111 -4.176 2.509 152 HG LEU 20 HG LEU 20 -1.488 -4.964 0.167 153 HD11 LEU 20 HD11 LEU 20 -3.338 -2.543 0.013 154 HD12 LEU 20 HD12 LEU 20 -3.809 -4.252 -0.186 155 HD13 LEU 20 HD13 LEU 20 -2.748 -3.488 -1.373 156 HD21 LEU 20 HD21 LEU 20 -0.393 -3.041 -0.880 157 HD22 LEU 20 HD22 LEU 20 0.307 -3.408 0.699 158 HD23 LEU 20 HD23 LEU 20 -0.799 -2.027 0.520 159 H VAL 21 H VAL 21 -1.084 -6.499 2.967 160 HA VAL 21 HA VAL 21 -0.980 -8.250 0.791 161 HB VAL 21 HB VAL 21 -0.153 -8.506 3.709 162 HG11 VAL 21 HG11 VAL 21 1.288 -10.442 3.029 163 HG12 VAL 21 HG12 VAL 21 -0.433 -10.824 2.995 164 HG13 VAL 21 HG13 VAL 21 0.414 -10.504 1.480 165 HG21 VAL 21 HG21 VAL 21 0.992 -6.886 2.068 166 HG22 VAL 21 HG22 VAL 21 2.034 -8.039 2.929 167 HG23 VAL 21 HG23 VAL 21 1.601 -8.334 1.243 168 H HIS 22 H HIS 22 -2.518 -8.793 3.995 169 HA HIS 22 HA HIS 22 -3.608 -11.285 3.392 170 HB2 HIS 22 HB2 HIS 22 -3.453 -10.384 5.655 171 HB3 HIS 22 HB3 HIS 22 -4.665 -9.150 5.274 172 HD1 HIS 22 HD1 HIS 22 -4.438 -13.038 5.308 173 HD2 HIS 22 HD2 HIS 22 -7.179 -9.841 5.380 174 HE1 HIS 22 HE1 HIS 22 -6.751 -14.072 5.533 175 H ALA 23 H ALA 23 -5.211 -8.045 3.077 176 HA ALA 23 HA ALA 23 -7.669 -9.057 2.117 177 HB1 ALA 23 HB1 ALA 23 -8.052 -6.739 1.425 178 HB2 ALA 23 HB2 ALA 23 -7.245 -6.800 3.017 179 HB3 ALA 23 HB3 ALA 23 -6.311 -6.396 1.554 180 H ALA 24 H ALA 24 -4.618 -8.504 0.403 181 HA ALA 24 HA ALA 24 -5.840 -8.484 -2.243 182 HB1 ALA 24 HB1 ALA 24 -2.944 -8.892 -1.337 183 HB2 ALA 24 HB2 ALA 24 -3.495 -8.678 -3.010 184 HB3 ALA 24 HB3 ALA 24 -3.696 -7.359 -1.833 185 H GLN 25 H GLN 25 -3.870 -10.821 -0.357 186 HA GLN 25 HA GLN 25 -4.266 -12.968 -2.261 187 HB2 GLN 25 HB2 GLN 25 -2.952 -14.296 -0.831 188 HB3 GLN 25 HB3 GLN 25 -2.256 -12.682 -0.776 189 HG2 GLN 25 HG2 GLN 25 -3.370 -12.290 1.417 190 HG3 GLN 25 HG3 GLN 25 -4.099 -13.882 1.359 191 HE21 GLN 25 HE21 GLN 25 -2.988 -15.546 2.345 192 HE22 GLN 25 HE22 GLN 25 -1.314 -15.436 2.827 193 H CYS 26 H CYS 26 -6.382 -11.759 0.075 194 HA CYS 26 HA CYS 26 -7.504 -14.158 1.121 195 HB2 CYS 26 HB2 CYS 26 -7.734 -12.042 2.228 196 HB3 CYS 26 HB3 CYS 26 -8.592 -11.364 0.847 197 H ARG 27 H ARG 27 -8.147 -15.635 -0.338 198 HA ARG 27 HA ARG 27 -10.608 -15.131 -1.809 199 HB2 ARG 27 HB2 ARG 27 -9.765 -16.274 -3.894 200 HB3 ARG 27 HB3 ARG 27 -9.322 -14.593 -3.654 201 HG2 ARG 27 HG2 ARG 27 -7.034 -15.268 -2.949 202 HG3 ARG 27 HG3 ARG 27 -7.479 -16.969 -3.165 203 HD2 ARG 27 HD2 ARG 27 -6.345 -16.352 -5.120 204 HD3 ARG 27 HD3 ARG 27 -8.066 -16.402 -5.556 205 HE ARG 27 HE ARG 27 -7.407 -13.751 -4.768 206 HH11 ARG 27 HH11 ARG 27 -6.714 -16.061 -7.388 207 HH12 ARG 27 HH12 ARG 27 -6.364 -14.808 -8.555 208 HH21 ARG 27 HH21 ARG 27 -6.671 -12.118 -6.305 209 HH22 ARG 27 HH22 ARG 27 -6.459 -12.586 -7.953 210 H ASN 28 H ASN 28 -11.262 -16.447 0.065 211 HA ASN 28 HA ASN 28 -11.283 -19.250 -0.543 212 HB2 ASN 28 HB2 ASN 28 -8.922 -19.031 0.448 213 HB3 ASN 28 HB3 ASN 28 -9.677 -18.457 1.938 214 HD21 ASN 28 HD21 ASN 28 -8.690 -20.394 3.003 215 HD22 ASN 28 HD22 ASN 28 -9.410 -21.980 2.700 216 H ALA 29 H ALA 29 -12.793 -20.313 0.726 217 HA ALA 29 HA ALA 29 -14.795 -18.780 2.037 218 HB1 ALA 29 HB1 ALA 29 -15.627 -21.089 2.667 219 HB2 ALA 29 HB2 ALA 29 -15.336 -20.857 0.929 220 HB3 ALA 29 HB3 ALA 29 -14.171 -21.762 1.932 221 H ASN 30 H ASN 30 -12.117 -20.799 3.337 222 HA ASN 30 HA ASN 30 -12.901 -20.468 6.095 223 HB2 ASN 30 HB2 ASN 30 -10.341 -21.417 4.757 224 HB3 ASN 30 HB3 ASN 30 -10.371 -21.114 6.473 225 HD21 ASN 30 HD21 ASN 30 -10.913 -23.600 4.191 226 HD22 ASN 30 HD22 ASN 30 -11.813 -24.614 5.283 227 H CYS 31 H CYS 31 -11.530 -18.125 3.988 228 HA CYS 31 HA CYS 31 -9.850 -16.877 6.029 229 HB2 CYS 31 HB2 CYS 31 -9.328 -16.812 3.564 230 HB3 CYS 31 HB3 CYS 31 -10.762 -15.768 3.347 231 H SER 32 H SER 32 -10.686 -15.789 7.653 232 HA SER 32 HA SER 32 -12.889 -13.892 7.203 233 HB2 SER 32 HB2 SER 32 -13.907 -16.022 8.010 234 HB3 SER 32 HB3 SER 32 -12.970 -15.865 9.507 235 HG SER 32 HG SER 32 -14.967 -14.166 8.403 236 H LEU 33 H LEU 33 -11.402 -12.149 7.421 237 HA LEU 33 HA LEU 33 -10.373 -11.794 10.210 238 HB2 LEU 33 HB2 LEU 33 -8.923 -11.635 7.671 239 HB3 LEU 33 HB3 LEU 33 -8.891 -10.094 8.527 240 HG LEU 33 HG LEU 33 -8.147 -11.431 10.602 241 HD11 LEU 33 HD11 LEU 33 -6.980 -13.552 10.101 242 HD12 LEU 33 HD12 LEU 33 -7.557 -13.471 8.413 243 HD13 LEU 33 HD13 LEU 33 -8.704 -13.677 9.758 244 HD21 LEU 33 HD21 LEU 33 -6.279 -11.298 8.204 245 HD22 LEU 33 HD22 LEU 33 -5.803 -11.384 9.913 246 HD23 LEU 33 HD23 LEU 33 -6.643 -9.951 9.314 247 HA PRO 34 HA PRO 34 -13.127 -8.340 10.143 248 HB2 PRO 34 HB2 PRO 34 -11.929 -6.591 11.948 249 HB3 PRO 34 HB3 PRO 34 -12.852 -8.029 12.404 250 HG2 PRO 34 HG2 PRO 34 -9.855 -7.753 12.165 251 HG3 PRO 34 HG3 PRO 34 -10.803 -8.554 13.453 252 HD2 PRO 34 HD2 PRO 34 -9.638 -9.962 11.450 253 HD3 PRO 34 HD3 PRO 34 -11.246 -10.433 12.076 254 H SER 35 H SER 35 -9.691 -7.120 10.219 255 HA SER 35 HA SER 35 -10.380 -4.896 8.572 256 HB2 SER 35 HB2 SER 35 -7.683 -6.036 9.322 257 HB3 SER 35 HB3 SER 35 -7.945 -4.492 8.462 258 HG SER 35 HG SER 35 -7.885 -4.189 10.774 259 H CYS 36 H CYS 36 -9.979 -8.206 7.645 260 HA CYS 36 HA CYS 36 -8.850 -7.794 5.032 261 HB2 CYS 36 HB2 CYS 36 -9.175 -10.042 6.269 262 HB3 CYS 36 HB3 CYS 36 -10.885 -9.942 5.820 263 H GLN 37 H GLN 37 -12.167 -8.325 6.196 264 HA GLN 37 HA GLN 37 -13.557 -7.609 3.893 265 HB2 GLN 37 HB2 GLN 37 -14.390 -7.184 6.805 266 HB3 GLN 37 HB3 GLN 37 -15.448 -7.165 5.385 267 HG2 GLN 37 HG2 GLN 37 -14.899 -9.523 4.909 268 HG3 GLN 37 HG3 GLN 37 -13.848 -9.576 6.328 269 HE21 GLN 37 HE21 GLN 37 -15.447 -11.487 6.856 270 HE22 GLN 37 HE22 GLN 37 -16.755 -10.950 7.877 271 H LYS 38 H LYS 38 -12.452 -5.458 6.573 272 HA LYS 38 HA LYS 38 -13.650 -3.070 5.502 273 HB2 LYS 38 HB2 LYS 38 -11.147 -3.342 7.213 274 HB3 LYS 38 HB3 LYS 38 -12.008 -1.848 6.896 275 HG2 LYS 38 HG2 LYS 38 -13.327 -4.187 8.321 276 HG3 LYS 38 HG3 LYS 38 -12.414 -2.936 9.162 277 HD2 LYS 38 HD2 LYS 38 -13.955 -1.195 8.382 278 HD3 LYS 38 HD3 LYS 38 -14.797 -2.358 7.372 279 HE2 LYS 38 HE2 LYS 38 -16.221 -2.270 9.138 280 HE3 LYS 38 HE3 LYS 38 -15.252 -3.677 9.592 281 HZ1 LYS 38 HZ1 LYS 38 -14.146 -2.309 11.252 282 HZ2 LYS 38 HZ2 LYS 38 -15.753 -1.998 11.340 283 HZ3 LYS 38 HZ3 LYS 38 -14.842 -0.922 10.641 284 H MET 39 H MET 39 -10.369 -4.473 5.000 285 HA MET 39 HA MET 39 -9.428 -2.429 3.251 286 HB2 MET 39 HB2 MET 39 -8.672 -5.326 3.682 287 HB3 MET 39 HB3 MET 39 -7.818 -4.318 2.520 288 HG2 MET 39 HG2 MET 39 -8.013 -3.292 5.313 289 HG3 MET 39 HG3 MET 39 -7.028 -4.712 5.033 290 HE1 MET 39 HE1 MET 39 -7.580 -0.961 3.943 291 HE2 MET 39 HE2 MET 39 -6.147 -0.671 2.940 292 HE3 MET 39 HE3 MET 39 -7.407 -1.770 2.362 293 H LYS 40 H LYS 40 -11.378 -5.358 2.634 294 HA LYS 40 HA LYS 40 -10.926 -5.657 -0.119 295 HB2 LYS 40 HB2 LYS 40 -13.101 -6.405 1.766 296 HB3 LYS 40 HB3 LYS 40 -13.657 -6.156 0.113 297 HG2 LYS 40 HG2 LYS 40 -13.150 -8.460 0.364 298 HG3 LYS 40 HG3 LYS 40 -11.929 -7.752 -0.701 299 HD2 LYS 40 HD2 LYS 40 -10.382 -7.587 1.283 300 HD3 LYS 40 HD3 LYS 40 -11.593 -8.445 2.236 301 HE2 LYS 40 HE2 LYS 40 -10.304 -9.549 -0.299 302 HE3 LYS 40 HE3 LYS 40 -9.749 -9.852 1.354 303 HZ1 LYS 40 HZ1 LYS 40 -11.990 -10.701 1.837 304 HZ2 LYS 40 HZ2 LYS 40 -11.083 -11.625 0.873 305 HZ3 LYS 40 HZ3 LYS 40 -12.324 -10.730 0.217 306 H ARG 41 H ARG 41 -13.004 -3.290 1.531 307 HA ARG 41 HA ARG 41 -14.252 -2.214 -0.797 308 HB2 ARG 41 HB2 ARG 41 -15.047 -1.806 1.482 309 HB3 ARG 41 HB3 ARG 41 -13.548 -0.968 1.899 310 HG2 ARG 41 HG2 ARG 41 -14.060 0.841 0.357 311 HG3 ARG 41 HG3 ARG 41 -15.495 -0.018 -0.244 312 HD2 ARG 41 HD2 ARG 41 -16.560 0.126 1.950 313 HD3 ARG 41 HD3 ARG 41 -15.090 0.824 2.659 314 HE ARG 41 HE ARG 41 -15.893 2.431 0.472 315 HH11 ARG 41 HH11 ARG 41 -16.920 1.651 3.817 316 HH12 ARG 41 HH12 ARG 41 -17.949 3.049 3.907 317 HH21 ARG 41 HH21 ARG 41 -17.226 4.274 0.747 318 HH22 ARG 41 HH22 ARG 41 -17.754 4.780 2.332 319 H VAL 42 H VAL 42 -11.167 -1.309 0.880 320 HA VAL 42 HA VAL 42 -10.554 0.833 -0.836 321 HB VAL 42 HB VAL 42 -8.597 -0.937 0.686 322 HG11 VAL 42 HG11 VAL 42 -7.327 1.257 0.840 323 HG12 VAL 42 HG12 VAL 42 -7.437 0.579 -0.786 324 HG13 VAL 42 HG13 VAL 42 -8.480 1.942 -0.315 325 HG21 VAL 42 HG21 VAL 42 -10.333 -0.164 2.283 326 HG22 VAL 42 HG22 VAL 42 -8.796 0.650 2.566 327 HG23 VAL 42 HG23 VAL 42 -10.083 1.507 1.715 328 H VAL 43 H VAL 43 -9.852 -2.711 -1.068 329 HA VAL 43 HA VAL 43 -8.123 -2.449 -3.272 330 HB VAL 43 HB VAL 43 -9.948 -4.762 -2.539 331 HG11 VAL 43 HG11 VAL 43 -9.368 -5.075 -4.877 332 HG12 VAL 43 HG12 VAL 43 -7.676 -4.660 -4.558 333 HG13 VAL 43 HG13 VAL 43 -8.360 -6.161 -3.917 334 HG21 VAL 43 HG21 VAL 43 -8.243 -4.213 -0.816 335 HG22 VAL 43 HG22 VAL 43 -7.927 -5.772 -1.587 336 HG23 VAL 43 HG23 VAL 43 -6.975 -4.357 -2.051 337 H GLN 44 H GLN 44 -11.706 -2.477 -3.197 338 HA GLN 44 HA GLN 44 -12.077 -2.715 -6.006 339 HB2 GLN 44 HB2 GLN 44 -13.855 -1.352 -3.960 340 HB3 GLN 44 HB3 GLN 44 -14.319 -1.742 -5.609 341 HG2 GLN 44 HG2 GLN 44 -13.540 -3.764 -3.471 342 HG3 GLN 44 HG3 GLN 44 -15.171 -3.388 -4.016 343 HE21 GLN 44 HE21 GLN 44 -13.065 -5.850 -4.228 344 HE22 GLN 44 HE22 GLN 44 -13.452 -6.431 -5.818 345 H HIS 45 H HIS 45 -11.069 0.095 -4.100 346 HA HIS 45 HA HIS 45 -11.807 2.024 -6.122 347 HB2 HIS 45 HB2 HIS 45 -11.629 2.746 -3.869 348 HB3 HIS 45 HB3 HIS 45 -10.048 2.031 -3.655 349 HD1 HIS 45 HD1 HIS 45 -11.655 5.177 -5.168 350 HD2 HIS 45 HD2 HIS 45 -7.865 3.317 -4.644 351 HE1 HIS 45 HE1 HIS 45 -9.880 6.877 -5.726 352 H THR 46 H THR 46 -8.491 0.697 -5.178 353 HA THR 46 HA THR 46 -7.182 1.884 -7.361 354 HB THR 46 HB THR 46 -5.977 0.999 -5.453 355 HG1 THR 46 HG1 THR 46 -5.215 -0.391 -7.782 356 HG21 THR 46 HG21 THR 46 -7.235 -1.010 -4.889 357 HG22 THR 46 HG22 THR 46 -5.563 -1.459 -5.241 358 HG23 THR 46 HG23 THR 46 -6.852 -1.767 -6.431 359 H LYS 47 H LYS 47 -9.180 -0.986 -7.263 360 HA LYS 47 HA LYS 47 -8.285 -2.354 -9.544 361 HB2 LYS 47 HB2 LYS 47 -10.698 -2.196 -7.879 362 HB3 LYS 47 HB3 LYS 47 -11.029 -2.651 -9.560 363 HG2 LYS 47 HG2 LYS 47 -9.370 -4.508 -9.325 364 HG3 LYS 47 HG3 LYS 47 -9.105 -4.023 -7.642 365 HD2 LYS 47 HD2 LYS 47 -10.673 -5.852 -7.660 366 HD3 LYS 47 HD3 LYS 47 -11.523 -4.397 -7.169 367 HE2 LYS 47 HE2 LYS 47 -12.317 -4.137 -9.583 368 HE3 LYS 47 HE3 LYS 47 -11.615 -5.731 -9.916 369 HZ1 LYS 47 HZ1 LYS 47 -13.747 -5.123 -7.948 370 HZ2 LYS 47 HZ2 LYS 47 -13.154 -6.630 -8.244 371 HZ3 LYS 47 HZ3 LYS 47 -13.992 -5.823 -9.386 372 H GLY 48 H GLY 48 -10.094 0.725 -9.371 373 HA2 GLY 48 HA2 GLY 48 -10.273 0.684 -12.365 374 HA3 GLY 48 HA3 GLY 48 -11.541 1.321 -11.337 375 H CYS 49 H CYS 49 -9.072 2.403 -9.551 376 HA CYS 49 HA CYS 49 -9.272 5.031 -10.645 377 HB2 CYS 49 HB2 CYS 49 -8.872 4.106 -8.146 378 HB3 CYS 49 HB3 CYS 49 -7.220 4.405 -8.590 379 H LYS 50 H LYS 50 -8.501 4.677 -12.768 380 HA LYS 50 HA LYS 50 -5.719 4.138 -13.285 381 HB2 LYS 50 HB2 LYS 50 -7.508 3.571 -14.879 382 HB3 LYS 50 HB3 LYS 50 -7.904 5.277 -15.066 383 HG2 LYS 50 HG2 LYS 50 -6.692 4.533 -16.993 384 HG3 LYS 50 HG3 LYS 50 -5.695 5.677 -16.124 385 HD2 LYS 50 HD2 LYS 50 -4.504 3.656 -15.066 386 HD3 LYS 50 HD3 LYS 50 -5.389 2.646 -16.205 387 HE2 LYS 50 HE2 LYS 50 -3.438 4.895 -16.854 388 HE3 LYS 50 HE3 LYS 50 -3.124 3.165 -17.002 389 HZ1 LYS 50 HZ1 LYS 50 -5.011 4.755 -18.632 390 HZ2 LYS 50 HZ2 LYS 50 -4.891 3.104 -18.711 391 HZ3 LYS 50 HZ3 LYS 50 -3.619 4.042 -19.117 392 H ARG 51 H ARG 51 -7.360 7.122 -12.410 393 HA ARG 51 HA ARG 51 -5.689 8.981 -13.692 394 HB2 ARG 51 HB2 ARG 51 -7.845 9.314 -12.269 395 HB3 ARG 51 HB3 ARG 51 -6.739 9.433 -10.897 396 HG2 ARG 51 HG2 ARG 51 -5.617 11.366 -12.206 397 HG3 ARG 51 HG3 ARG 51 -6.957 11.225 -13.356 398 HD2 ARG 51 HD2 ARG 51 -8.553 11.553 -11.442 399 HD3 ARG 51 HD3 ARG 51 -7.169 11.856 -10.374 400 HE ARG 51 HE ARG 51 -6.847 13.684 -12.448 401 HH11 ARG 51 HH11 ARG 51 -9.118 13.165 -9.741 402 HH12 ARG 51 HH12 ARG 51 -9.935 14.673 -10.050 403 HH21 ARG 51 HH21 ARG 51 -7.934 15.777 -12.648 404 HH22 ARG 51 HH22 ARG 51 -9.258 16.090 -11.578 405 H LYS 52 H LYS 52 -4.775 6.790 -11.192 406 HA LYS 52 HA LYS 52 -2.815 8.160 -9.799 407 HB2 LYS 52 HB2 LYS 52 -1.908 6.024 -9.252 408 HB3 LYS 52 HB3 LYS 52 -3.666 5.840 -9.393 409 HG2 LYS 52 HG2 LYS 52 -3.375 4.850 -11.663 410 HG3 LYS 52 HG3 LYS 52 -1.629 5.048 -11.516 411 HD2 LYS 52 HD2 LYS 52 -1.745 3.534 -9.439 412 HD3 LYS 52 HD3 LYS 52 -3.413 3.191 -9.937 413 HE2 LYS 52 HE2 LYS 52 -2.142 1.458 -10.962 414 HE3 LYS 52 HE3 LYS 52 -2.444 2.623 -12.262 415 HZ1 LYS 52 HZ1 LYS 52 -0.211 2.172 -12.459 416 HZ2 LYS 52 HZ2 LYS 52 0.044 2.060 -10.825 417 HZ3 LYS 52 HZ3 LYS 52 -0.120 3.525 -11.539 418 H THR 53 H THR 53 -2.537 6.847 -13.176 419 HA THR 53 HA THR 53 0.249 7.009 -13.383 420 HB THR 53 HB THR 53 -0.305 7.162 -15.873 421 HG1 THR 53 HG1 THR 53 -2.380 7.025 -16.443 422 HG21 THR 53 HG21 THR 53 -1.160 4.886 -15.978 423 HG22 THR 53 HG22 THR 53 -1.747 4.971 -14.297 424 HG23 THR 53 HG23 THR 53 0.000 5.016 -14.649 425 H ASN 54 H ASN 54 -2.155 9.619 -13.625 426 HA ASN 54 HA ASN 54 0.000 11.471 -14.529 427 HB2 ASN 54 HB2 ASN 54 -1.656 13.060 -15.044 428 HB3 ASN 54 HB3 ASN 54 -2.107 11.531 -15.771 429 HD21 ASN 54 HD21 ASN 54 -4.291 11.245 -15.691 430 HD22 ASN 54 HD22 ASN 54 -5.336 11.819 -14.411 431 H GLY 55 H GLY 55 -0.913 10.212 -11.667 432 HA2 GLY 55 HA2 GLY 55 -0.157 10.892 -9.564 433 HA3 GLY 55 HA3 GLY 55 0.133 12.534 -10.169 434 H GLY 56 H GLY 56 -2.888 10.629 -10.593 435 HA2 GLY 56 HA2 GLY 56 -4.556 12.748 -9.710 436 HA3 GLY 56 HA3 GLY 56 -5.023 11.108 -10.119 437 H CYS 57 H CYS 57 -5.700 9.769 -8.575 438 HA CYS 57 HA CYS 57 -6.421 10.698 -6.079 439 HB2 CYS 57 HB2 CYS 57 -7.505 8.907 -7.363 440 HB3 CYS 57 HB3 CYS 57 -6.023 7.913 -7.149 441 HA PRO 58 HA PRO 58 -2.748 9.988 -3.592 442 HB2 PRO 58 HB2 PRO 58 -3.854 10.069 -1.068 443 HB3 PRO 58 HB3 PRO 58 -3.585 11.500 -2.098 444 HG2 PRO 58 HG2 PRO 58 -6.141 9.904 -1.802 445 HG3 PRO 58 HG3 PRO 58 -5.913 11.686 -1.686 446 HD2 PRO 58 HD2 PRO 58 -6.752 10.555 -3.970 447 HD3 PRO 58 HD3 PRO 58 -5.547 11.870 -4.033 448 H ILE 59 H ILE 59 -5.652 7.920 -2.931 449 HA ILE 59 HA ILE 59 -4.375 6.061 -1.263 450 HB ILE 59 HB ILE 59 -6.643 5.620 -3.252 451 HG12 ILE 59 HG12 ILE 59 -6.815 5.945 -0.220 452 HG13 ILE 59 HG13 ILE 59 -6.946 7.320 -1.315 453 HG21 ILE 59 HG21 ILE 59 -5.599 3.444 -2.641 454 HG22 ILE 59 HG22 ILE 59 -5.691 3.861 -0.922 455 HG23 ILE 59 HG23 ILE 59 -7.163 3.584 -1.871 456 HD11 ILE 59 HD11 ILE 59 -8.911 6.388 -2.404 457 HD12 ILE 59 HD12 ILE 59 -8.819 4.913 -1.418 458 HD13 ILE 59 HD13 ILE 59 -9.157 6.457 -0.644 459 H CYS 60 H CYS 60 -4.822 5.775 -4.816 460 HA CYS 60 HA CYS 60 -3.210 3.470 -5.056 461 HB2 CYS 60 HB2 CYS 60 -3.137 5.056 -7.456 462 HB3 CYS 60 HB3 CYS 60 -3.907 3.508 -7.154 463 H LYS 61 H LYS 61 -2.442 6.911 -5.351 464 HA LYS 61 HA LYS 61 0.247 6.715 -6.352 465 HB2 LYS 61 HB2 LYS 61 -1.129 8.799 -4.625 466 HB3 LYS 61 HB3 LYS 61 0.553 8.973 -5.120 467 HG2 LYS 61 HG2 LYS 61 0.004 9.175 -7.435 468 HG3 LYS 61 HG3 LYS 61 -1.629 8.588 -7.180 469 HD2 LYS 61 HD2 LYS 61 -1.924 10.863 -7.403 470 HD3 LYS 61 HD3 LYS 61 -2.010 10.652 -5.674 471 HE2 LYS 61 HE2 LYS 61 0.301 11.479 -5.418 472 HE3 LYS 61 HE3 LYS 61 0.463 11.620 -7.178 473 HZ1 LYS 61 HZ1 LYS 61 -0.105 13.753 -6.232 474 HZ2 LYS 61 HZ2 LYS 61 -1.475 13.169 -5.541 475 HZ3 LYS 61 HZ3 LYS 61 -1.307 13.282 -7.160 476 H GLN 62 H GLN 62 -1.005 6.766 -2.984 477 HA GLN 62 HA GLN 62 1.607 6.640 -1.790 478 HB2 GLN 62 HB2 GLN 62 -1.204 6.263 -0.742 479 HB3 GLN 62 HB3 GLN 62 0.214 6.296 0.302 480 HG2 GLN 62 HG2 GLN 62 -0.409 8.632 -1.568 481 HG3 GLN 62 HG3 GLN 62 -1.160 8.492 0.006 482 HE21 GLN 62 HE21 GLN 62 -0.150 9.629 1.566 483 HE22 GLN 62 HE22 GLN 62 1.561 9.958 1.648 484 H LEU 63 H LEU 63 -0.716 4.173 -2.848 485 HA LEU 63 HA LEU 63 0.273 2.003 -1.332 486 HB2 LEU 63 HB2 LEU 63 -1.278 2.345 -3.884 487 HB3 LEU 63 HB3 LEU 63 -0.512 0.784 -3.669 488 HG LEU 63 HG LEU 63 -2.322 1.972 -1.545 489 HD11 LEU 63 HD11 LEU 63 -3.006 0.114 -3.874 490 HD12 LEU 63 HD12 LEU 63 -3.610 1.762 -3.615 491 HD13 LEU 63 HD13 LEU 63 -4.081 0.483 -2.489 492 HD21 LEU 63 HD21 LEU 63 -1.458 -0.897 -2.161 493 HD22 LEU 63 HD22 LEU 63 -2.469 -0.359 -0.794 494 HD23 LEU 63 HD23 LEU 63 -0.767 0.106 -0.877 495 H ILE 64 H ILE 64 1.655 3.577 -4.077 496 HA ILE 64 HA ILE 64 3.338 1.507 -5.097 497 HB ILE 64 HB ILE 64 3.447 4.543 -5.240 498 HG12 ILE 64 HG12 ILE 64 2.580 2.524 -7.372 499 HG13 ILE 64 HG13 ILE 64 1.448 3.231 -6.236 500 HG21 ILE 64 HG21 ILE 64 5.694 3.680 -5.729 501 HG22 ILE 64 HG22 ILE 64 5.000 2.554 -6.925 502 HG23 ILE 64 HG23 ILE 64 4.927 4.316 -7.177 503 HD11 ILE 64 HD11 ILE 64 3.051 4.830 -8.246 504 HD12 ILE 64 HD12 ILE 64 1.316 4.456 -8.280 505 HD13 ILE 64 HD13 ILE 64 1.981 5.487 -6.999 506 H ALA 65 H ALA 65 3.808 3.880 -2.456 507 HA ALA 65 HA ALA 65 6.580 3.494 -2.042 508 HB1 ALA 65 HB1 ALA 65 6.058 4.278 0.298 509 HB2 ALA 65 HB2 ALA 65 5.299 5.312 -0.929 510 HB3 ALA 65 HB3 ALA 65 4.340 4.113 -0.044 511 H LEU 66 H LEU 66 3.703 1.995 -0.690 512 HA LEU 66 HA LEU 66 4.918 0.193 1.154 513 HB2 LEU 66 HB2 LEU 66 2.216 -0.036 -0.288 514 HB3 LEU 66 HB3 LEU 66 2.748 -0.978 1.105 515 HG LEU 66 HG LEU 66 2.180 1.995 1.128 516 HD11 LEU 66 HD11 LEU 66 0.845 -0.510 2.280 517 HD12 LEU 66 HD12 LEU 66 0.148 0.706 1.192 518 HD13 LEU 66 HD13 LEU 66 0.515 1.103 2.877 519 HD21 LEU 66 HD21 LEU 66 3.478 0.080 3.057 520 HD22 LEU 66 HD22 LEU 66 2.629 1.473 3.673 521 HD23 LEU 66 HD23 LEU 66 4.025 1.712 2.622 522 H ALA 67 H ALA 67 3.780 -0.278 -2.201 523 HA ALA 67 HA ALA 67 4.397 -3.015 -2.477 524 HB1 ALA 67 HB1 ALA 67 4.412 -2.586 -4.839 525 HB2 ALA 67 HB2 ALA 67 3.184 -1.538 -4.106 526 HB3 ALA 67 HB3 ALA 67 4.737 -0.854 -4.609 527 H ALA 68 H ALA 68 6.488 -0.144 -3.108 528 HA ALA 68 HA ALA 68 8.818 -1.554 -3.858 529 HB1 ALA 68 HB1 ALA 68 8.460 0.893 -4.180 530 HB2 ALA 68 HB2 ALA 68 8.619 1.152 -2.451 531 HB3 ALA 68 HB3 ALA 68 9.997 0.544 -3.385 532 H TYR 69 H TYR 69 7.844 -0.275 -0.639 533 HA TYR 69 HA TYR 69 10.151 -1.048 0.792 534 HB2 TYR 69 HB2 TYR 69 8.626 0.506 1.796 535 HB3 TYR 69 HB3 TYR 69 7.258 -0.575 1.594 536 HD1 TYR 69 HD1 TYR 69 10.111 0.259 3.763 537 HD2 TYR 69 HD2 TYR 69 6.969 -2.564 2.994 538 HE1 TYR 69 HE1 TYR 69 10.575 -0.837 5.924 539 HE2 TYR 69 HE2 TYR 69 7.405 -3.698 5.124 540 HH TYR 69 HH TYR 69 9.178 -3.997 6.779 541 H HIS 70 H HIS 70 7.004 -2.769 0.417 542 HA HIS 70 HA HIS 70 7.752 -5.048 1.863 543 HB2 HIS 70 HB2 HIS 70 5.524 -4.993 1.639 544 HB3 HIS 70 HB3 HIS 70 5.547 -4.280 0.027 545 HD1 HIS 70 HD1 HIS 70 4.755 -7.563 1.629 546 HD2 HIS 70 HD2 HIS 70 6.081 -5.999 -2.064 547 HE1 HIS 70 HE1 HIS 70 4.333 -9.333 -0.089 548 H ALA 71 H ALA 71 8.015 -4.340 -1.672 549 HA ALA 71 HA ALA 71 8.959 -6.835 -2.365 550 HB1 ALA 71 HB1 ALA 71 9.785 -5.768 -4.407 551 HB2 ALA 71 HB2 ALA 71 8.170 -5.174 -3.981 552 HB3 ALA 71 HB3 ALA 71 9.597 -4.162 -3.654 553 H LYS 72 H LYS 72 10.761 -4.417 -0.551 554 HA LYS 72 HA LYS 72 13.336 -5.256 -1.606 555 HB2 LYS 72 HB2 LYS 72 14.332 -3.836 -0.149 556 HB3 LYS 72 HB3 LYS 72 12.732 -3.094 -0.185 557 HG2 LYS 72 HG2 LYS 72 12.226 -4.423 1.957 558 HG3 LYS 72 HG3 LYS 72 13.919 -4.931 1.927 559 HD2 LYS 72 HD2 LYS 72 13.945 -3.165 3.416 560 HD3 LYS 72 HD3 LYS 72 14.549 -2.464 1.909 561 HE2 LYS 72 HE2 LYS 72 12.058 -1.801 1.485 562 HE3 LYS 72 HE3 LYS 72 11.788 -2.201 3.191 563 HZ1 LYS 72 HZ1 LYS 72 13.649 -0.182 2.104 564 HZ2 LYS 72 HZ2 LYS 72 13.538 -0.531 3.712 565 HZ3 LYS 72 HZ3 LYS 72 12.275 0.141 2.911 566 H HIS 73 H HIS 73 11.018 -6.566 0.590 567 HA HIS 73 HA HIS 73 12.911 -8.604 1.643 568 HB2 HIS 73 HB2 HIS 73 10.080 -7.916 2.526 569 HB3 HIS 73 HB3 HIS 73 11.227 -8.941 3.364 570 HD1 HIS 73 HD1 HIS 73 9.811 -5.870 4.099 571 HD2 HIS 73 HD2 HIS 73 13.784 -7.148 3.583 572 HE1 HIS 73 HE1 HIS 73 11.266 -4.184 5.317 573 H CYS 74 H CYS 74 9.687 -8.147 0.155 574 HA CYS 74 HA CYS 74 9.246 -10.988 -0.389 575 HB2 CYS 74 HB2 CYS 74 7.512 -9.086 0.297 576 HB3 CYS 74 HB3 CYS 74 7.708 -8.560 -1.349 577 H GLN 75 H GLN 75 10.672 -11.668 -1.939 578 HA GLN 75 HA GLN 75 10.355 -10.477 -4.628 579 HB2 GLN 75 HB2 GLN 75 12.849 -10.731 -4.982 580 HB3 GLN 75 HB3 GLN 75 12.312 -9.340 -4.044 581 HG2 GLN 75 HG2 GLN 75 12.943 -10.468 -1.932 582 HG3 GLN 75 HG3 GLN 75 13.478 -11.883 -2.848 583 HE21 GLN 75 HE21 GLN 75 14.532 -9.017 -1.428 584 HE22 GLN 75 HE22 GLN 75 16.051 -8.862 -2.271 585 H GLU 76 H GLU 76 9.028 -12.187 -5.104 586 HA GLU 76 HA GLU 76 10.402 -14.791 -5.291 587 HB2 GLU 76 HB2 GLU 76 8.354 -15.930 -4.522 588 HB3 GLU 76 HB3 GLU 76 9.147 -15.041 -3.229 589 HG2 GLU 76 HG2 GLU 76 7.455 -13.468 -3.062 590 HG3 GLU 76 HG3 GLU 76 7.004 -13.594 -4.757 591 H ASN 77 H ASN 77 8.612 -16.261 -6.565 592 HA ASN 77 HA ASN 77 8.467 -14.840 -9.103 593 HB2 ASN 77 HB2 ASN 77 9.025 -17.249 -9.031 594 HB3 ASN 77 HB3 ASN 77 7.401 -17.597 -8.407 595 HD21 ASN 77 HD21 ASN 77 6.466 -18.687 -10.219 596 HD22 ASN 77 HD22 ASN 77 6.316 -17.937 -11.786 597 H LYS 78 H LYS 78 6.087 -15.671 -6.415 598 HA LYS 78 HA LYS 78 4.206 -14.018 -7.954 599 HB2 LYS 78 HB2 LYS 78 3.983 -16.644 -8.167 600 HB3 LYS 78 HB3 LYS 78 3.290 -16.543 -6.557 601 HG2 LYS 78 HG2 LYS 78 1.617 -16.546 -8.331 602 HG3 LYS 78 HG3 LYS 78 1.540 -15.032 -7.424 603 HD2 LYS 78 HD2 LYS 78 2.359 -13.763 -9.222 604 HD3 LYS 78 HD3 LYS 78 3.206 -15.142 -9.937 605 HE2 LYS 78 HE2 LYS 78 1.276 -14.441 -11.279 606 HE3 LYS 78 HE3 LYS 78 1.182 -16.120 -10.747 607 HZ1 LYS 78 HZ1 LYS 78 -0.401 -15.474 -9.063 608 HZ2 LYS 78 HZ2 LYS 78 -0.911 -14.936 -10.538 609 HZ3 LYS 78 HZ3 LYS 78 -0.272 -13.897 -9.418 610 H CYS 79 H CYS 79 5.330 -12.504 -6.278 611 HA CYS 79 HA CYS 79 4.759 -12.423 -3.667 612 HB2 CYS 79 HB2 CYS 79 4.863 -10.270 -5.802 613 HB3 CYS 79 HB3 CYS 79 4.588 -9.842 -4.132 614 HA PRO 80 HA PRO 80 0.315 -12.381 -3.357 615 HB2 PRO 80 HB2 PRO 80 -0.090 -11.273 -0.862 616 HB3 PRO 80 HB3 PRO 80 0.462 -12.945 -1.170 617 HG2 PRO 80 HG2 PRO 80 2.150 -10.519 -0.513 618 HG3 PRO 80 HG3 PRO 80 2.256 -12.167 0.183 619 HD2 PRO 80 HD2 PRO 80 3.917 -11.340 -1.805 620 HD3 PRO 80 HD3 PRO 80 3.298 -13.018 -1.768 621 H VAL 81 H VAL 81 1.914 -9.250 -2.604 622 HA VAL 81 HA VAL 81 -0.483 -7.719 -2.952 623 HB VAL 81 HB VAL 81 2.419 -6.798 -3.042 624 HG11 VAL 81 HG11 VAL 81 0.820 -5.081 -3.879 625 HG12 VAL 81 HG12 VAL 81 -0.140 -5.255 -2.394 626 HG13 VAL 81 HG13 VAL 81 1.513 -4.612 -2.329 627 HG21 VAL 81 HG21 VAL 81 2.039 -7.953 -0.959 628 HG22 VAL 81 HG22 VAL 81 2.121 -6.223 -0.667 629 HG23 VAL 81 HG23 VAL 81 0.536 -7.037 -0.678 630 HA PRO 82 HA PRO 82 -0.306 -7.998 -7.433 631 HB2 PRO 82 HB2 PRO 82 -2.248 -6.132 -8.116 632 HB3 PRO 82 HB3 PRO 82 -2.581 -7.789 -7.526 633 HG2 PRO 82 HG2 PRO 82 -2.492 -5.228 -5.924 634 HG3 PRO 82 HG3 PRO 82 -3.759 -6.500 -5.930 635 HD2 PRO 82 HD2 PRO 82 -1.866 -6.463 -4.017 636 HD3 PRO 82 HD3 PRO 82 -2.346 -8.021 -4.760 637 H PHE 83 H PHE 83 0.310 -5.031 -5.676 638 HA PHE 83 HA PHE 83 1.249 -3.488 -7.983 639 HB2 PHE 83 HB2 PHE 83 1.159 -3.062 -4.973 640 HB3 PHE 83 HB3 PHE 83 2.229 -2.122 -5.988 641 HD1 PHE 83 HD1 PHE 83 -1.368 -3.109 -6.618 642 HD2 PHE 83 HD2 PHE 83 1.504 0.039 -5.908 643 HE1 PHE 83 HE1 PHE 83 -3.092 -1.434 -7.051 644 HE2 PHE 83 HE2 PHE 83 -0.231 1.729 -6.364 645 HZ PHE 83 HZ PHE 83 -2.555 1.006 -6.930 646 H CYS 84 H CYS 84 2.656 -5.386 -5.269 647 HA CYS 84 HA CYS 84 5.395 -4.693 -5.593 648 HB2 CYS 84 HB2 CYS 84 4.546 -5.834 -3.617 649 HB3 CYS 84 HB3 CYS 84 3.957 -7.194 -4.583 650 H LEU 85 H LEU 85 3.399 -7.102 -7.173 651 HA LEU 85 HA LEU 85 5.249 -8.540 -8.633 652 HB2 LEU 85 HB2 LEU 85 2.635 -7.463 -9.764 653 HB3 LEU 85 HB3 LEU 85 3.580 -8.781 -10.466 654 HG LEU 85 HG LEU 85 2.382 -8.804 -7.697 655 HD11 LEU 85 HD11 LEU 85 1.422 -10.261 -10.189 656 HD12 LEU 85 HD12 LEU 85 0.657 -8.793 -9.510 657 HD13 LEU 85 HD13 LEU 85 0.674 -10.300 -8.585 658 HD21 LEU 85 HD21 LEU 85 2.823 -11.280 -7.817 659 HD22 LEU 85 HD22 LEU 85 4.318 -10.360 -7.901 660 HD23 LEU 85 HD23 LEU 85 3.630 -11.053 -9.384 661 H ASN 86 H ASN 86 4.106 -5.303 -9.298 662 HA ASN 86 HA ASN 86 5.367 -4.946 -11.891 663 HB2 ASN 86 HB2 ASN 86 4.730 -2.801 -9.821 664 HB3 ASN 86 HB3 ASN 86 5.229 -2.495 -11.459 665 HD21 ASN 86 HD21 ASN 86 3.769 -3.756 -13.173 666 HD22 ASN 86 HD22 ASN 86 2.134 -3.156 -12.982 667 H ILE 87 H ILE 87 6.507 -4.289 -8.544 668 HA ILE 87 HA ILE 87 8.931 -2.978 -9.360 669 HB ILE 87 HB ILE 87 8.027 -4.146 -6.701 670 HG12 ILE 87 HG12 ILE 87 8.348 -1.659 -6.058 671 HG13 ILE 87 HG13 ILE 87 8.420 -1.310 -7.780 672 HG21 ILE 87 HG21 ILE 87 10.677 -2.790 -7.341 673 HG22 ILE 87 HG22 ILE 87 10.055 -3.050 -5.709 674 HG23 ILE 87 HG23 ILE 87 10.442 -4.436 -6.707 675 HD11 ILE 87 HD11 ILE 87 6.102 -2.079 -8.024 676 HD12 ILE 87 HD12 ILE 87 6.109 -2.700 -6.354 677 HD13 ILE 87 HD13 ILE 87 6.191 -0.956 -6.662 678 H LYS 88 H LYS 88 8.233 -6.248 -8.029 679 HA LYS 88 HA LYS 88 10.866 -7.153 -8.384 680 HB2 LYS 88 HB2 LYS 88 10.152 -9.242 -7.756 681 HB3 LYS 88 HB3 LYS 88 9.178 -8.077 -6.893 682 HG2 LYS 88 HG2 LYS 88 7.704 -9.768 -7.391 683 HG3 LYS 88 HG3 LYS 88 7.335 -8.523 -8.584 684 HD2 LYS 88 HD2 LYS 88 8.235 -9.804 -10.364 685 HD3 LYS 88 HD3 LYS 88 9.272 -10.746 -9.279 686 HE2 LYS 88 HE2 LYS 88 7.300 -11.849 -8.325 687 HE3 LYS 88 HE3 LYS 88 6.242 -10.943 -9.423 688 HZ1 LYS 88 HZ1 LYS 88 6.845 -13.185 -10.190 689 HZ2 LYS 88 HZ2 LYS 88 8.415 -12.725 -10.348 690 HZ3 LYS 88 HZ3 LYS 88 7.199 -12.020 -11.260 691 H GLN 89 H GLN 89 8.369 -7.015 -10.723 692 HA GLN 89 HA GLN 89 9.577 -8.761 -12.711 693 HB2 GLN 89 HB2 GLN 89 7.490 -6.560 -12.797 694 HB3 GLN 89 HB3 GLN 89 8.162 -7.154 -14.302 695 HG2 GLN 89 HG2 GLN 89 7.424 -9.379 -13.947 696 HG3 GLN 89 HG3 GLN 89 6.943 -9.042 -12.289 697 HE21 GLN 89 HE21 GLN 89 5.098 -7.894 -11.941 698 HE22 GLN 89 HE22 GLN 89 3.966 -7.336 -13.176 699 H LYS 90 H LYS 90 10.604 -5.668 -11.564 700 HA LYS 90 HA LYS 90 12.102 -5.149 -14.098 701 HB2 LYS 90 HB2 LYS 90 11.156 -3.315 -11.861 702 HB3 LYS 90 HB3 LYS 90 12.251 -2.799 -13.135 703 HG2 LYS 90 HG2 LYS 90 9.487 -3.996 -13.698 704 HG3 LYS 90 HG3 LYS 90 9.763 -2.287 -13.432 705 HD2 LYS 90 HD2 LYS 90 11.164 -3.855 -15.639 706 HD3 LYS 90 HD3 LYS 90 9.630 -2.991 -15.845 707 HE2 LYS 90 HE2 LYS 90 10.646 -0.878 -15.209 708 HE3 LYS 90 HE3 LYS 90 12.182 -1.663 -14.841 709 HZ1 LYS 90 HZ1 LYS 90 10.928 -1.510 -17.495 710 HZ2 LYS 90 HZ2 LYS 90 12.366 -2.232 -17.171 711 HZ3 LYS 90 HZ3 LYS 90 12.221 -0.599 -16.965 712 H GLY 91 H GLY 91 12.494 -5.557 -10.536 713 HA2 GLY 91 HA2 GLY 91 14.463 -6.036 -9.404 714 HA3 GLY 91 HA3 GLY 91 15.290 -6.227 -10.962 715 H THR 92 H THR 92 13.883 -3.792 -8.782 716 HA THR 92 HA THR 92 15.975 -1.820 -9.517 717 HB THR 92 HB THR 92 13.945 -1.197 -10.678 718 HG1 THR 92 HG1 THR 92 15.081 0.538 -9.880 719 HG21 THR 92 HG21 THR 92 12.160 -2.234 -9.529 720 HG22 THR 92 HG22 THR 92 11.924 -0.501 -9.267 721 HG23 THR 92 HG23 THR 92 12.593 -1.493 -7.972 722 H ILE 93 H ILE 93 16.234 -3.779 -7.503 723 HA ILE 93 HA ILE 93 15.347 -2.771 -4.961 724 HB ILE 93 HB ILE 93 17.606 -4.660 -5.718 725 HG12 ILE 93 HG12 ILE 93 15.438 -5.591 -6.370 726 HG13 ILE 93 HG13 ILE 93 16.125 -6.480 -5.028 727 HG21 ILE 93 HG21 ILE 93 17.455 -5.463 -3.350 728 HG22 ILE 93 HG22 ILE 93 18.128 -3.849 -3.534 729 HG23 ILE 93 HG23 ILE 93 16.458 -4.040 -2.973 730 HD11 ILE 93 HD11 ILE 93 14.577 -5.250 -3.466 731 HD12 ILE 93 HD12 ILE 93 13.846 -4.463 -4.888 732 HD13 ILE 93 HD13 ILE 93 13.741 -6.217 -4.682 733 H GLU 94 H GLU 94 17.913 -1.871 -7.199 734 HA GLU 94 HA GLU 94 18.876 0.211 -5.347 735 HB2 GLU 94 HB2 GLU 94 20.603 -1.733 -6.959 736 HB3 GLU 94 HB3 GLU 94 21.203 -0.352 -6.025 737 HG2 GLU 94 HG2 GLU 94 20.156 -1.373 -3.974 738 HG3 GLU 94 HG3 GLU 94 19.764 -2.809 -4.923 739 H GLY 95 H GLY 95 20.447 1.645 -6.806 740 HA2 GLY 95 HA2 GLY 95 20.976 2.632 -8.829 741 HA3 GLY 95 HA3 GLY 95 19.527 1.958 -9.578 742 H ARG 96 H ARG 96 17.497 2.739 -8.755 743 HA ARG 96 HA ARG 96 17.461 5.623 -8.661 744 HB2 ARG 96 HB2 ARG 96 15.140 5.615 -8.763 745 HB3 ARG 96 HB3 ARG 96 15.606 4.194 -9.678 746 HG2 ARG 96 HG2 ARG 96 14.917 2.732 -7.844 747 HG3 ARG 96 HG3 ARG 96 14.665 4.118 -6.772 748 HD2 ARG 96 HD2 ARG 96 12.521 3.546 -7.424 749 HD3 ARG 96 HD3 ARG 96 12.905 4.979 -8.358 750 HE ARG 96 HE ARG 96 13.542 3.191 -10.211 751 HH11 ARG 96 HH11 ARG 96 10.687 2.936 -8.010 752 HH12 ARG 96 HH12 ARG 96 9.862 1.889 -9.092 753 HH21 ARG 96 HH21 ARG 96 12.424 1.903 -11.524 754 HH22 ARG 96 HH22 ARG 96 10.914 1.128 -11.091 755 H GLY 97 H GLY 97 18.021 3.540 -6.165 756 HA2 GLY 97 HA2 GLY 97 18.656 4.254 -4.040 757 HA3 GLY 97 HA3 GLY 97 17.483 5.574 -4.068 758 H ASN 98 H ASN 98 15.682 3.254 -5.222 759 HA ASN 98 HA ASN 98 13.823 2.253 -4.403 760 HB2 ASN 98 HB2 ASN 98 15.495 0.513 -4.852 761 HB3 ASN 98 HB3 ASN 98 16.002 0.581 -3.155 762 HD21 ASN 98 HD21 ASN 98 15.407 -1.696 -2.960 763 HD22 ASN 98 HD22 ASN 98 13.695 -2.160 -2.928 764 H GLU 99 H GLU 99 13.165 4.137 -2.985 765 HA GLU 99 HA GLU 99 12.337 3.194 -0.483 766 HB2 GLU 99 HB2 GLU 99 13.267 4.757 0.939 767 HB3 GLU 99 HB3 GLU 99 14.661 4.079 0.104 768 HG2 GLU 99 HG2 GLU 99 14.843 6.102 -1.287 769 HG3 GLU 99 HG3 GLU 99 13.375 6.771 -0.554 770 H PHE 100 H PHE 100 10.879 5.030 0.358 771 HA PHE 100 HA PHE 100 10.063 6.993 -1.669 772 HB2 PHE 100 HB2 PHE 100 8.799 4.709 -1.992 773 HB3 PHE 100 HB3 PHE 100 7.943 5.165 -0.534 774 HD1 PHE 100 HD1 PHE 100 8.084 5.461 -4.115 775 HD2 PHE 100 HD2 PHE 100 6.744 7.554 -0.575 776 HE1 PHE 100 HE1 PHE 100 6.666 6.912 -5.498 777 HE2 PHE 100 HE2 PHE 100 5.345 9.017 -1.977 778 HZ PHE 100 HZ PHE 100 5.322 8.736 -4.459 779 H LEU 101 H LEU 101 9.332 8.815 -0.726 780 HA LEU 101 HA LEU 101 8.789 8.809 2.205 781 HB2 LEU 101 HB2 LEU 101 10.343 10.844 0.557 782 HB3 LEU 101 HB3 LEU 101 9.814 11.085 2.223 783 HG LEU 101 HG LEU 101 11.693 8.854 1.294 784 HD11 LEU 101 HD11 LEU 101 13.446 10.115 2.483 785 HD12 LEU 101 HD12 LEU 101 12.286 11.440 2.771 786 HD13 LEU 101 HD13 LEU 101 12.784 11.012 1.120 787 HD21 LEU 101 HD21 LEU 101 12.133 8.551 3.713 788 HD22 LEU 101 HD22 LEU 101 10.484 8.143 3.295 789 HD23 LEU 101 HD23 LEU 101 10.820 9.706 4.087 790 H SER 102 H SER 102 6.881 9.536 2.685 791 HA SER 102 HA SER 102 5.345 11.077 0.717 792 HB2 SER 102 HB2 SER 102 3.385 9.567 1.438 793 HB3 SER 102 HB3 SER 102 4.554 8.928 0.275 794 HG SER 102 HG SER 102 4.140 7.365 1.740 795 HA PRO 103 HA PRO 103 4.263 13.457 4.268 796 HB2 PRO 103 HB2 PRO 103 1.816 14.510 3.567 797 HB3 PRO 103 HB3 PRO 103 3.338 14.978 2.754 798 HG2 PRO 103 HG2 PRO 103 1.324 12.915 1.836 799 HG3 PRO 103 HG3 PRO 103 2.048 14.262 0.895 800 HD2 PRO 103 HD2 PRO 103 3.050 11.752 0.753 801 HD3 PRO 103 HD3 PRO 103 4.145 13.168 0.774 802 H GLU 104 H GLU 104 2.497 13.741 5.947 803 HA GLU 104 HA GLU 104 1.744 11.362 7.142 804 HB2 GLU 104 HB2 GLU 104 0.760 14.204 7.530 805 HB3 GLU 104 HB3 GLU 104 0.225 12.858 8.555 806 HG2 GLU 104 HG2 GLU 104 2.558 12.299 9.105 807 HG3 GLU 104 HG3 GLU 104 3.142 13.646 8.121 808 H VAL 105 H VAL 105 0.126 12.792 4.494 809 HA VAL 105 HA VAL 105 -2.545 11.962 4.798 810 HB VAL 105 HB VAL 105 -0.766 12.050 2.313 811 HG11 VAL 105 HG11 VAL 105 -2.798 10.770 1.788 812 HG12 VAL 105 HG12 VAL 105 -3.792 12.050 2.498 813 HG13 VAL 105 HG13 VAL 105 -2.857 12.351 1.020 814 HG21 VAL 105 HG21 VAL 105 -0.808 14.225 3.378 815 HG22 VAL 105 HG22 VAL 105 -1.900 14.302 1.995 816 HG23 VAL 105 HG23 VAL 105 -2.565 14.128 3.632 817 H PHE 106 H PHE 106 0.408 10.123 4.249 818 HA PHE 106 HA PHE 106 -0.572 7.700 3.197 819 HB2 PHE 106 HB2 PHE 106 1.802 8.113 3.392 820 HB3 PHE 106 HB3 PHE 106 1.679 8.405 5.123 821 HD1 PHE 106 HD1 PHE 106 1.109 5.714 2.552 822 HD2 PHE 106 HD2 PHE 106 2.069 6.653 6.653 823 HE1 PHE 106 HE1 PHE 106 1.475 3.339 3.014 824 HE2 PHE 106 HE2 PHE 106 2.355 4.228 7.131 825 HZ PHE 106 HZ PHE 106 2.073 2.577 5.339 826 H GLN 107 H GLN 107 -0.523 8.892 6.618 827 HA GLN 107 HA GLN 107 -1.654 6.416 7.600 828 HB2 GLN 107 HB2 GLN 107 -1.073 9.092 8.863 829 HB3 GLN 107 HB3 GLN 107 -1.868 7.788 9.737 830 HG2 GLN 107 HG2 GLN 107 0.812 7.378 8.327 831 HG3 GLN 107 HG3 GLN 107 0.698 7.978 9.984 832 HE21 GLN 107 HE21 GLN 107 -1.270 6.357 11.129 833 HE22 GLN 107 HE22 GLN 107 -0.683 4.725 11.181 834 H HIS 108 H HIS 108 -3.007 9.428 6.424 835 HA HIS 108 HA HIS 108 -5.609 9.143 7.582 836 HB2 HIS 108 HB2 HIS 108 -4.673 10.506 5.020 837 HB3 HIS 108 HB3 HIS 108 -6.326 10.521 5.572 838 HD1 HIS 108 HD1 HIS 108 -6.867 12.742 6.529 839 HD2 HIS 108 HD2 HIS 108 -3.057 11.295 7.628 840 HE1 HIS 108 HE1 HIS 108 -5.811 14.558 7.969 841 H ILE 109 H ILE 109 -4.078 7.650 4.753 842 HA ILE 109 HA ILE 109 -6.442 6.652 3.528 843 HB ILE 109 HB ILE 109 -3.523 5.893 3.424 844 HG12 ILE 109 HG12 ILE 109 -5.368 7.073 1.292 845 HG13 ILE 109 HG13 ILE 109 -4.533 8.092 2.458 846 HG21 ILE 109 HG21 ILE 109 -3.950 4.464 1.472 847 HG22 ILE 109 HG22 ILE 109 -4.657 3.815 2.936 848 HG23 ILE 109 HG23 ILE 109 -5.694 4.613 1.729 849 HD11 ILE 109 HD11 ILE 109 -2.360 7.316 1.701 850 HD12 ILE 109 HD12 ILE 109 -3.128 6.253 0.505 851 HD13 ILE 109 HD13 ILE 109 -3.324 8.009 0.371 852 H TRP 110 H TRP 110 -4.499 5.498 6.311 853 HA TRP 110 HA TRP 110 -5.934 2.971 6.322 854 HB2 TRP 110 HB2 TRP 110 -4.101 4.025 8.480 855 HB3 TRP 110 HB3 TRP 110 -4.568 2.349 8.150 856 HD1 TRP 110 HD1 TRP 110 -1.658 4.303 7.824 857 HE1 TRP 110 HE1 TRP 110 -0.321 4.042 5.662 858 HE3 TRP 110 HE3 TRP 110 -4.934 1.353 5.209 859 HZ2 TRP 110 HZ2 TRP 110 -0.729 2.877 3.046 860 HZ3 TRP 110 HZ3 TRP 110 -4.333 0.548 2.950 861 HH2 TRP 110 HH2 TRP 110 -2.270 1.315 1.837 862 H ASP 111 H ASP 111 -6.470 6.127 7.578 863 HA ASP 111 HA ASP 111 -8.090 5.346 9.883 864 HB2 ASP 111 HB2 ASP 111 -7.149 7.495 10.018 865 HB3 ASP 111 HB3 ASP 111 -7.596 7.915 8.371 866 H PHE 112 H PHE 112 -8.883 6.675 6.628 867 HA PHE 112 HA PHE 112 -11.631 6.276 6.998 868 HB2 PHE 112 HB2 PHE 112 -12.023 7.048 4.922 869 HB3 PHE 112 HB3 PHE 112 -10.406 7.664 5.157 870 HD1 PHE 112 HD1 PHE 112 -12.543 5.274 3.324 871 HD2 PHE 112 HD2 PHE 112 -8.501 6.541 4.025 872 HE1 PHE 112 HE1 PHE 112 -11.798 3.903 1.407 873 HE2 PHE 112 HE2 PHE 112 -7.748 5.227 2.047 874 HZ PHE 112 HZ PHE 112 -9.394 3.898 0.739 875 H LEU 113 H LEU 113 -9.276 3.842 6.256 876 HA LEU 113 HA LEU 113 -10.915 2.008 4.860 877 HB2 LEU 113 HB2 LEU 113 -9.274 0.493 5.046 878 HB3 LEU 113 HB3 LEU 113 -8.361 1.929 5.438 879 HG LEU 113 HG LEU 113 -8.788 1.274 7.935 880 HD11 LEU 113 HD11 LEU 113 -9.384 -1.380 6.529 881 HD12 LEU 113 HD12 LEU 113 -10.399 -0.549 7.726 882 HD13 LEU 113 HD13 LEU 113 -8.889 -1.249 8.241 883 HD21 LEU 113 HD21 LEU 113 -7.020 -0.478 6.154 884 HD22 LEU 113 HD22 LEU 113 -6.834 -0.252 7.913 885 HD23 LEU 113 HD23 LEU 113 -6.592 1.098 6.831 886 H GLU 114 H GLU 114 -10.782 2.828 8.305 887 HA GLU 114 HA GLU 114 -13.084 1.003 8.787 888 HB2 GLU 114 HB2 GLU 114 -12.273 0.702 11.062 889 HB3 GLU 114 HB3 GLU 114 -11.154 0.080 9.860 890 HG2 GLU 114 HG2 GLU 114 -9.696 2.061 10.136 891 HG3 GLU 114 HG3 GLU 114 -10.847 2.762 11.289 892 H GLN 115 H GLN 115 -12.215 4.259 8.589 893 HA GLN 115 HA GLN 115 -14.701 4.973 9.972 894 HB2 GLN 115 HB2 GLN 115 -12.898 5.311 11.609 895 HB3 GLN 115 HB3 GLN 115 -12.034 6.349 10.475 896 HG2 GLN 115 HG2 GLN 115 -13.256 7.584 12.249 897 HG3 GLN 115 HG3 GLN 115 -13.736 8.061 10.636 898 HE21 GLN 115 HE21 GLN 115 -14.945 7.055 13.692 899 HE22 GLN 115 HE22 GLN 115 -16.615 6.884 13.145 900 HA PRO 116 HA PRO 116 -14.066 6.835 5.750 901 HB2 PRO 116 HB2 PRO 116 -16.218 5.813 4.436 902 HB3 PRO 116 HB3 PRO 116 -14.724 4.870 4.672 903 HG2 PRO 116 HG2 PRO 116 -17.262 4.800 6.341 904 HG3 PRO 116 HG3 PRO 116 -16.350 3.407 5.687 905 HD2 PRO 116 HD2 PRO 116 -16.040 4.291 8.247 906 HD3 PRO 116 HD3 PRO 116 -14.696 3.584 7.300 907 H ILE 117 H ILE 117 -15.303 8.477 4.731 908 HA ILE 117 HA ILE 117 -17.570 9.610 6.301 909 HB ILE 117 HB ILE 117 -15.543 11.122 4.686 910 HG12 ILE 117 HG12 ILE 117 -15.672 10.680 7.696 911 HG13 ILE 117 HG13 ILE 117 -14.393 10.165 6.604 912 HG21 ILE 117 HG21 ILE 117 -17.862 12.142 4.951 913 HG22 ILE 117 HG22 ILE 117 -17.641 12.065 6.707 914 HG23 ILE 117 HG23 ILE 117 -16.595 13.092 5.699 915 HD11 ILE 117 HD11 ILE 117 -13.591 12.078 7.761 916 HD12 ILE 117 HD12 ILE 117 -13.917 12.592 6.091 917 HD13 ILE 117 HD13 ILE 117 -15.045 13.018 7.403 918 H SER 118 H SER 118 -16.890 10.847 3.406 919 HA SER 118 HA SER 118 -19.294 9.614 2.143 920 HB2 SER 118 HB2 SER 118 -17.683 12.003 1.214 921 HB3 SER 118 HB3 SER 118 -19.258 11.469 0.590 922 HG SER 118 HG SER 118 -19.493 13.109 2.083 923 H SER 119 H SER 119 -16.258 10.714 0.446 924 HA SER 119 HA SER 119 -15.609 8.120 -0.532 925 HB2 SER 119 HB2 SER 119 -17.699 9.053 -1.920 926 HB3 SER 119 HB3 SER 119 -16.466 10.097 -2.657 927 HG SER 119 HG SER 119 -16.544 8.259 -3.868 928 H VAL 120 H VAL 120 -13.493 8.181 -1.017 929 HA VAL 120 HA VAL 120 -12.009 10.694 -0.684 930 HB VAL 120 HB VAL 120 -11.054 7.830 -1.066 931 HG11 VAL 120 HG11 VAL 120 -9.524 10.388 -0.409 932 HG12 VAL 120 HG12 VAL 120 -8.851 8.755 -0.231 933 HG13 VAL 120 HG13 VAL 120 -9.284 9.336 -1.822 934 HG21 VAL 120 HG21 VAL 120 -10.516 7.900 1.321 935 HG22 VAL 120 HG22 VAL 120 -11.182 9.547 1.450 936 HG23 VAL 120 HG23 VAL 120 -12.239 8.168 1.089 937 H GLN 121 H GLN 121 -12.959 11.687 -2.511 938 HA GLN 121 HA GLN 121 -11.704 10.905 -5.102 939 HB2 GLN 121 HB2 GLN 121 -14.523 11.940 -4.816 940 HB3 GLN 121 HB3 GLN 121 -13.702 11.512 -6.313 941 HG2 GLN 121 HG2 GLN 121 -14.515 9.641 -4.058 942 HG3 GLN 121 HG3 GLN 121 -15.347 9.822 -5.590 943 HE21 GLN 121 HE21 GLN 121 -12.744 9.772 -7.264 944 HE22 GLN 121 HE22 GLN 121 -12.381 8.068 -7.213 945 HA PRO 122 HA PRO 122 -10.804 15.292 -3.759 946 HB2 PRO 122 HB2 PRO 122 -8.062 15.215 -3.921 947 HB3 PRO 122 HB3 PRO 122 -8.938 14.638 -2.477 948 HG2 PRO 122 HG2 PRO 122 -7.913 12.982 -4.790 949 HG3 PRO 122 HG3 PRO 122 -7.689 12.712 -3.030 950 HD2 PRO 122 HD2 PRO 122 -9.625 11.440 -4.429 951 HD3 PRO 122 HD3 PRO 122 -9.914 12.011 -2.757 952 H ILE 123 H ILE 123 -9.630 16.972 -5.041 953 HA ILE 123 HA ILE 123 -9.825 16.340 -7.938 954 HB ILE 123 HB ILE 123 -9.909 18.687 -8.339 955 HG12 ILE 123 HG12 ILE 123 -9.408 19.140 -5.364 956 HG13 ILE 123 HG13 ILE 123 -8.312 19.529 -6.680 957 HG21 ILE 123 HG21 ILE 123 -11.956 17.413 -7.574 958 HG22 ILE 123 HG22 ILE 123 -11.737 18.121 -5.965 959 HG23 ILE 123 HG23 ILE 123 -12.054 19.162 -7.370 960 HD11 ILE 123 HD11 ILE 123 -10.050 21.109 -7.608 961 HD12 ILE 123 HD12 ILE 123 -10.992 20.850 -6.120 962 HD13 ILE 123 HD13 ILE 123 -9.377 21.565 -6.030 963 H ASP 124 H ASP 124 -7.431 16.810 -5.469 964 HA ASP 124 HA ASP 124 -5.249 16.331 -7.303 965 HB2 ASP 124 HB2 ASP 124 -5.148 18.654 -7.617 966 HB3 ASP 124 HB3 ASP 124 -5.717 19.011 -5.981 Start of MODEL 18 1 H1 ALA 1 H ALA 1 25.804 9.508 18.466 2 HA ALA 1 HA ALA 1 23.606 8.077 17.104 3 HB1 ALA 1 HB1 ALA 1 24.403 6.758 19.004 4 HB2 ALA 1 HB2 ALA 1 24.211 8.150 20.092 5 HB3 ALA 1 HB3 ALA 1 22.789 7.407 19.325 6 H THR 2 H THR 2 22.376 9.655 16.316 7 HA THR 2 HA THR 2 21.309 11.728 18.148 8 HB THR 2 HB THR 2 21.489 13.314 16.098 9 HG1 THR 2 HG1 THR 2 23.679 11.577 15.550 10 HG21 THR 2 HG21 THR 2 24.039 12.625 17.628 11 HG22 THR 2 HG22 THR 2 22.707 13.625 18.243 12 HG23 THR 2 HG23 THR 2 23.643 14.174 16.851 13 H GLN 3 H GLN 3 21.112 10.730 14.696 14 HA GLN 3 HA GLN 3 18.358 10.979 14.477 15 HB2 GLN 3 HB2 GLN 3 18.494 9.810 12.448 16 HB3 GLN 3 HB3 GLN 3 20.102 10.508 12.624 17 HG2 GLN 3 HG2 GLN 3 20.879 8.289 13.562 18 HG3 GLN 3 HG3 GLN 3 19.292 7.616 13.164 19 HE21 GLN 3 HE21 GLN 3 22.002 6.890 12.180 20 HE22 GLN 3 HE22 GLN 3 21.903 7.022 10.431 21 H SER 4 H SER 4 16.560 9.650 14.834 22 HA SER 4 HA SER 4 16.803 7.692 16.922 23 HB2 SER 4 HB2 SER 4 14.511 8.275 14.990 24 HB3 SER 4 HB3 SER 4 14.370 7.399 16.527 25 HG SER 4 HG SER 4 13.783 9.547 16.854 26 HA PRO 5 HA PRO 5 17.662 4.154 14.388 27 HB2 PRO 5 HB2 PRO 5 16.222 2.113 15.624 28 HB3 PRO 5 HB3 PRO 5 17.791 2.749 16.183 29 HG2 PRO 5 HG2 PRO 5 15.048 3.337 17.215 30 HG3 PRO 5 HG3 PRO 5 16.576 3.211 18.118 31 HD2 PRO 5 HD2 PRO 5 15.385 5.608 17.411 32 HD3 PRO 5 HD3 PRO 5 17.142 5.424 17.670 33 H GLY 6 H GLY 6 16.489 2.418 13.099 34 HA2 GLY 6 HA2 GLY 6 14.197 3.647 11.717 35 HA3 GLY 6 HA3 GLY 6 15.231 2.339 11.152 36 H ASP 7 H ASP 7 13.608 2.223 14.398 37 HA ASP 7 HA ASP 7 12.292 -0.265 13.475 38 HB2 ASP 7 HB2 ASP 7 13.541 -0.411 15.544 39 HB3 ASP 7 HB3 ASP 7 12.497 0.826 16.266 40 H SER 8 H SER 8 11.541 3.027 14.637 41 HA SER 8 HA SER 8 8.785 2.687 14.919 42 HB2 SER 8 HB2 SER 8 10.464 4.790 15.260 43 HB3 SER 8 HB3 SER 8 9.701 5.287 13.740 44 HG SER 8 HG SER 8 8.544 4.592 16.234 45 H ARG 9 H ARG 9 10.657 3.559 11.984 46 HA ARG 9 HA ARG 9 8.414 3.688 10.239 47 HB2 ARG 9 HB2 ARG 9 10.015 3.157 8.367 48 HB3 ARG 9 HB3 ARG 9 10.418 4.577 9.352 49 HG2 ARG 9 HG2 ARG 9 12.099 3.073 10.555 50 HG3 ARG 9 HG3 ARG 9 11.720 1.840 9.344 51 HD2 ARG 9 HD2 ARG 9 12.349 3.590 7.579 52 HD3 ARG 9 HD3 ARG 9 13.035 4.544 8.915 53 HE ARG 9 HE ARG 9 14.039 2.007 9.272 54 HH11 ARG 9 HH11 ARG 9 14.465 4.404 6.618 55 HH12 ARG 9 HH12 ARG 9 15.439 3.334 5.692 56 HH21 ARG 9 HH21 ARG 9 15.686 0.825 8.172 57 HH22 ARG 9 HH22 ARG 9 16.248 1.381 6.652 58 H ARG 10 H ARG 10 10.618 0.905 10.767 59 HA ARG 10 HA ARG 10 9.103 -0.820 9.171 60 HB2 ARG 10 HB2 ARG 10 10.398 -2.577 9.810 61 HB3 ARG 10 HB3 ARG 10 11.441 -1.196 10.090 62 HG2 ARG 10 HG2 ARG 10 10.720 -1.436 12.567 63 HG3 ARG 10 HG3 ARG 10 10.003 -2.971 12.103 64 HD2 ARG 10 HD2 ARG 10 12.223 -3.347 13.014 65 HD3 ARG 10 HD3 ARG 10 12.246 -3.729 11.290 66 HE ARG 10 HE ARG 10 13.020 -0.998 11.937 67 HH11 ARG 10 HH11 ARG 10 14.295 -4.286 11.261 68 HH12 ARG 10 HH12 ARG 10 15.798 -3.667 10.747 69 HH21 ARG 10 HH21 ARG 10 15.058 -0.305 11.635 70 HH22 ARG 10 HH22 ARG 10 16.361 -1.315 11.130 71 H LEU 11 H LEU 11 8.623 -0.427 12.760 72 HA LEU 11 HA LEU 11 6.467 -2.293 12.716 73 HB2 LEU 11 HB2 LEU 11 6.047 -1.727 14.951 74 HB3 LEU 11 HB3 LEU 11 7.775 -1.694 14.699 75 HG LEU 11 HG LEU 11 7.445 0.913 14.475 76 HD11 LEU 11 HD11 LEU 11 4.917 0.088 15.955 77 HD12 LEU 11 HD12 LEU 11 5.024 1.158 14.547 78 HD13 LEU 11 HD13 LEU 11 5.640 1.699 16.097 79 HD21 LEU 11 HD21 LEU 11 7.216 -0.571 17.121 80 HD22 LEU 11 HD22 LEU 11 7.756 1.111 16.921 81 HD23 LEU 11 HD23 LEU 11 8.712 -0.202 16.242 82 H SER 12 H SER 12 6.472 1.163 11.973 83 HA SER 12 HA SER 12 3.567 1.352 12.231 84 HB2 SER 12 HB2 SER 12 5.276 3.163 12.749 85 HB3 SER 12 HB3 SER 12 5.465 3.379 10.999 86 HG SER 12 HG SER 12 2.932 3.429 12.291 87 H ILE 13 H ILE 13 5.952 1.095 9.589 88 HA ILE 13 HA ILE 13 4.124 1.348 7.401 89 HB ILE 13 HB ILE 13 6.910 0.171 7.758 90 HG12 ILE 13 HG12 ILE 13 5.939 2.677 6.281 91 HG13 ILE 13 HG13 ILE 13 6.548 2.702 7.925 92 HG21 ILE 13 HG21 ILE 13 7.198 -0.038 5.422 93 HG22 ILE 13 HG22 ILE 13 5.775 -0.975 5.834 94 HG23 ILE 13 HG23 ILE 13 5.620 0.634 5.070 95 HD11 ILE 13 HD11 ILE 13 8.129 2.014 5.420 96 HD12 ILE 13 HD12 ILE 13 8.374 3.361 6.538 97 HD13 ILE 13 HD13 ILE 13 8.729 1.701 7.063 98 H GLN 14 H GLN 14 5.673 -1.537 8.999 99 HA GLN 14 HA GLN 14 4.228 -3.469 7.654 100 HB2 GLN 14 HB2 GLN 14 5.414 -3.484 10.443 101 HB3 GLN 14 HB3 GLN 14 4.676 -4.904 9.715 102 HG2 GLN 14 HG2 GLN 14 6.889 -3.393 8.268 103 HG3 GLN 14 HG3 GLN 14 7.234 -4.663 9.428 104 HE21 GLN 14 HE21 GLN 14 6.707 -6.868 8.890 105 HE22 GLN 14 HE22 GLN 14 6.146 -7.314 7.270 106 H ARG 15 H ARG 15 3.059 -1.435 10.325 107 HA ARG 15 HA ARG 15 0.880 -3.031 11.114 108 HB2 ARG 15 HB2 ARG 15 1.652 -0.885 12.197 109 HB3 ARG 15 HB3 ARG 15 0.898 0.010 10.872 110 HG2 ARG 15 HG2 ARG 15 -1.316 -0.874 11.462 111 HG3 ARG 15 HG3 ARG 15 -0.609 -1.828 12.779 112 HD2 ARG 15 HD2 ARG 15 -0.487 1.207 12.516 113 HD3 ARG 15 HD3 ARG 15 -1.646 0.320 13.511 114 HE ARG 15 HE ARG 15 0.502 -0.662 14.613 115 HH11 ARG 15 HH11 ARG 15 0.023 2.794 13.789 116 HH12 ARG 15 HH12 ARG 15 1.360 3.276 14.798 117 HH21 ARG 15 HH21 ARG 15 2.039 0.125 16.095 118 HH22 ARG 15 HH22 ARG 15 2.477 1.821 16.052 119 H ALA 16 H ALA 16 1.155 -0.724 8.370 120 HA ALA 16 HA ALA 16 -1.605 -1.122 7.542 121 HB1 ALA 16 HB1 ALA 16 0.779 0.139 6.114 122 HB2 ALA 16 HB2 ALA 16 -0.909 0.191 5.552 123 HB3 ALA 16 HB3 ALA 16 -0.463 0.991 7.068 124 H ILE 17 H ILE 17 1.621 -2.277 6.492 125 HA ILE 17 HA ILE 17 0.793 -3.714 4.217 126 HB ILE 17 HB ILE 17 3.225 -4.100 5.985 127 HG12 ILE 17 HG12 ILE 17 2.659 -2.628 3.390 128 HG13 ILE 17 HG13 ILE 17 3.070 -1.899 4.946 129 HG21 ILE 17 HG21 ILE 17 4.257 -5.375 4.202 130 HG22 ILE 17 HG22 ILE 17 2.787 -6.180 4.687 131 HG23 ILE 17 HG23 ILE 17 2.798 -5.210 3.191 132 HD11 ILE 17 HD11 ILE 17 5.318 -3.037 4.784 133 HD12 ILE 17 HD12 ILE 17 4.894 -3.436 3.099 134 HD13 ILE 17 HD13 ILE 17 5.013 -1.753 3.592 135 H GLN 18 H GLN 18 1.040 -4.901 7.607 136 HA GLN 18 HA GLN 18 0.705 -7.591 7.128 137 HB2 GLN 18 HB2 GLN 18 0.242 -7.824 9.366 138 HB3 GLN 18 HB3 GLN 18 1.041 -6.257 9.366 139 HG2 GLN 18 HG2 GLN 18 -1.333 -5.247 9.233 140 HG3 GLN 18 HG3 GLN 18 -1.926 -6.862 9.625 141 HE21 GLN 18 HE21 GLN 18 -1.208 -3.930 10.874 142 HE22 GLN 18 HE22 GLN 18 -1.271 -4.441 12.575 143 H SER 19 H SER 19 -1.841 -5.140 7.183 144 HA SER 19 HA SER 19 -3.959 -7.119 6.843 145 HB2 SER 19 HB2 SER 19 -4.045 -4.070 6.954 146 HB3 SER 19 HB3 SER 19 -5.443 -5.166 7.033 147 HG SER 19 HG SER 19 -4.537 -6.106 8.886 148 H LEU 20 H LEU 20 -2.206 -4.746 4.913 149 HA LEU 20 HA LEU 20 -3.863 -4.733 2.602 150 HB2 LEU 20 HB2 LEU 20 -2.227 -3.025 3.154 151 HB3 LEU 20 HB3 LEU 20 -0.898 -4.169 3.027 152 HG LEU 20 HG LEU 20 -2.660 -3.759 0.622 153 HD11 LEU 20 HD11 LEU 20 -1.223 -1.838 -0.053 154 HD12 LEU 20 HD12 LEU 20 -0.432 -1.875 1.526 155 HD13 LEU 20 HD13 LEU 20 -2.165 -1.468 1.401 156 HD21 LEU 20 HD21 LEU 20 0.326 -4.291 0.974 157 HD22 LEU 20 HD22 LEU 20 -0.473 -4.009 -0.578 158 HD23 LEU 20 HD23 LEU 20 -0.897 -5.430 0.362 159 H VAL 21 H VAL 21 -0.847 -6.553 3.304 160 HA VAL 21 HA VAL 21 -0.723 -8.047 0.929 161 HB VAL 21 HB VAL 21 0.157 -8.765 3.754 162 HG11 VAL 21 HG11 VAL 21 1.701 -10.418 2.679 163 HG12 VAL 21 HG12 VAL 21 0.003 -10.858 2.475 164 HG13 VAL 21 HG13 VAL 21 0.881 -10.133 1.122 165 HG21 VAL 21 HG21 VAL 21 1.207 -6.736 2.585 166 HG22 VAL 21 HG22 VAL 21 2.325 -8.001 3.121 167 HG23 VAL 21 HG23 VAL 21 1.884 -7.876 1.415 168 H HIS 22 H HIS 22 -2.262 -9.018 4.045 169 HA HIS 22 HA HIS 22 -3.294 -11.447 3.117 170 HB2 HIS 22 HB2 HIS 22 -3.291 -10.933 5.477 171 HB3 HIS 22 HB3 HIS 22 -4.334 -9.523 5.232 172 HD1 HIS 22 HD1 HIS 22 -4.540 -13.392 5.171 173 HD2 HIS 22 HD2 HIS 22 -6.972 -9.954 4.740 174 HE1 HIS 22 HE1 HIS 22 -6.972 -14.168 4.997 175 H ALA 23 H ALA 23 -4.920 -8.191 3.152 176 HA ALA 23 HA ALA 23 -7.332 -9.146 2.007 177 HB1 ALA 23 HB1 ALA 23 -7.813 -6.798 1.603 178 HB2 ALA 23 HB2 ALA 23 -7.057 -7.007 3.194 179 HB3 ALA 23 HB3 ALA 23 -6.097 -6.375 1.834 180 H ALA 24 H ALA 24 -4.278 -8.194 0.483 181 HA ALA 24 HA ALA 24 -5.340 -7.904 -2.177 182 HB1 ALA 24 HB1 ALA 24 -2.497 -8.645 -1.309 183 HB2 ALA 24 HB2 ALA 24 -3.004 -8.022 -2.884 184 HB3 ALA 24 HB3 ALA 24 -3.119 -6.990 -1.439 185 H GLN 25 H GLN 25 -3.620 -10.595 -0.514 186 HA GLN 25 HA GLN 25 -4.227 -12.383 -2.741 187 HB2 GLN 25 HB2 GLN 25 -2.907 -14.012 -1.669 188 HB3 GLN 25 HB3 GLN 25 -2.077 -12.464 -1.567 189 HG2 GLN 25 HG2 GLN 25 -2.888 -12.249 0.813 190 HG3 GLN 25 HG3 GLN 25 -3.589 -13.858 0.696 191 HE21 GLN 25 HE21 GLN 25 -1.994 -15.670 -0.003 192 HE22 GLN 25 HE22 GLN 25 -0.350 -15.520 0.566 193 H CYS 26 H CYS 26 -6.150 -11.410 -0.194 194 HA CYS 26 HA CYS 26 -7.449 -13.848 0.552 195 HB2 CYS 26 HB2 CYS 26 -7.642 -11.867 1.894 196 HB3 CYS 26 HB3 CYS 26 -8.345 -10.958 0.559 197 H ARG 27 H ARG 27 -7.877 -14.998 -1.296 198 HA ARG 27 HA ARG 27 -10.212 -14.202 -2.934 199 HB2 ARG 27 HB2 ARG 27 -7.544 -15.118 -4.108 200 HB3 ARG 27 HB3 ARG 27 -9.043 -14.960 -5.013 201 HG2 ARG 27 HG2 ARG 27 -9.054 -12.498 -4.487 202 HG3 ARG 27 HG3 ARG 27 -7.510 -12.678 -3.658 203 HD2 ARG 27 HD2 ARG 27 -7.976 -13.276 -6.592 204 HD3 ARG 27 HD3 ARG 27 -7.191 -11.835 -5.921 205 HE ARG 27 HE ARG 27 -5.858 -14.015 -4.804 206 HH11 ARG 27 HH11 ARG 27 -6.054 -12.600 -8.040 207 HH12 ARG 27 HH12 ARG 27 -4.890 -13.692 -8.731 208 HH21 ARG 27 HH21 ARG 27 -4.239 -15.231 -5.582 209 HH22 ARG 27 HH22 ARG 27 -3.693 -15.122 -7.244 210 H ASN 28 H ASN 28 -11.149 -15.652 -1.493 211 HA ASN 28 HA ASN 28 -11.113 -18.403 -2.098 212 HB2 ASN 28 HB2 ASN 28 -8.934 -18.057 -0.559 213 HB3 ASN 28 HB3 ASN 28 -10.107 -17.933 0.735 214 HD21 ASN 28 HD21 ASN 28 -8.370 -20.066 -1.358 215 HD22 ASN 28 HD22 ASN 28 -9.123 -21.557 -0.861 216 H ALA 29 H ALA 29 -12.746 -19.520 -0.632 217 HA ALA 29 HA ALA 29 -14.796 -17.612 0.359 218 HB1 ALA 29 HB1 ALA 29 -15.536 -19.445 -1.063 219 HB2 ALA 29 HB2 ALA 29 -14.795 -20.646 0.021 220 HB3 ALA 29 HB3 ALA 29 -16.170 -19.671 0.573 221 H ASN 30 H ASN 30 -12.658 -20.225 1.534 222 HA ASN 30 HA ASN 30 -13.599 -20.341 4.211 223 HB2 ASN 30 HB2 ASN 30 -12.224 -21.998 2.811 224 HB3 ASN 30 HB3 ASN 30 -10.805 -21.035 3.241 225 HD21 ASN 30 HD21 ASN 30 -10.801 -23.658 3.866 226 HD22 ASN 30 HD22 ASN 30 -11.093 -23.947 5.572 227 H CYS 31 H CYS 31 -11.600 -17.998 2.642 228 HA CYS 31 HA CYS 31 -10.074 -17.112 4.959 229 HB2 CYS 31 HB2 CYS 31 -9.273 -16.742 2.633 230 HB3 CYS 31 HB3 CYS 31 -10.708 -15.721 2.312 231 H SER 32 H SER 32 -10.984 -16.131 6.651 232 HA SER 32 HA SER 32 -13.053 -14.083 6.205 233 HB2 SER 32 HB2 SER 32 -14.295 -16.152 6.743 234 HB3 SER 32 HB3 SER 32 -13.408 -16.253 8.284 235 HG SER 32 HG SER 32 -15.467 -14.536 7.498 236 H LEU 33 H LEU 33 -11.766 -12.412 6.714 237 HA LEU 33 HA LEU 33 -10.685 -12.302 9.486 238 HB2 LEU 33 HB2 LEU 33 -9.303 -11.732 6.905 239 HB3 LEU 33 HB3 LEU 33 -9.118 -10.499 8.151 240 HG LEU 33 HG LEU 33 -8.423 -12.448 9.726 241 HD11 LEU 33 HD11 LEU 33 -8.913 -14.419 8.594 242 HD12 LEU 33 HD12 LEU 33 -7.206 -14.225 8.168 243 HD13 LEU 33 HD13 LEU 33 -8.448 -13.791 7.009 244 HD21 LEU 33 HD21 LEU 33 -6.073 -12.307 8.837 245 HD22 LEU 33 HD22 LEU 33 -6.877 -10.749 9.055 246 HD23 LEU 33 HD23 LEU 33 -6.709 -11.446 7.438 247 HA PRO 34 HA PRO 34 -13.485 -8.823 9.425 248 HB2 PRO 34 HB2 PRO 34 -12.554 -7.339 11.570 249 HB3 PRO 34 HB3 PRO 34 -13.513 -8.830 11.729 250 HG2 PRO 34 HG2 PRO 34 -10.504 -8.539 11.884 251 HG3 PRO 34 HG3 PRO 34 -11.591 -9.438 12.977 252 HD2 PRO 34 HD2 PRO 34 -10.227 -10.701 11.013 253 HD3 PRO 34 HD3 PRO 34 -11.911 -11.177 11.393 254 H SER 35 H SER 35 -9.992 -8.160 9.867 255 HA SER 35 HA SER 35 -9.908 -5.506 8.959 256 HB2 SER 35 HB2 SER 35 -7.441 -6.299 8.532 257 HB3 SER 35 HB3 SER 35 -8.070 -6.181 10.174 258 HG SER 35 HG SER 35 -6.961 -8.181 9.630 259 H CYS 36 H CYS 36 -9.641 -8.611 7.318 260 HA CYS 36 HA CYS 36 -8.792 -7.731 4.769 261 HB2 CYS 36 HB2 CYS 36 -8.932 -10.082 5.698 262 HB3 CYS 36 HB3 CYS 36 -10.674 -10.042 5.444 263 H GLN 37 H GLN 37 -12.104 -8.323 6.024 264 HA GLN 37 HA GLN 37 -13.506 -7.514 3.750 265 HB2 GLN 37 HB2 GLN 37 -14.292 -7.408 6.697 266 HB3 GLN 37 HB3 GLN 37 -15.430 -7.123 5.373 267 HG2 GLN 37 HG2 GLN 37 -15.129 -9.333 4.490 268 HG3 GLN 37 HG3 GLN 37 -13.753 -9.669 5.530 269 HE21 GLN 37 HE21 GLN 37 -17.174 -9.889 5.236 270 HE22 GLN 37 HE22 GLN 37 -17.384 -10.701 6.762 271 H LYS 38 H LYS 38 -12.340 -5.367 6.426 272 HA LYS 38 HA LYS 38 -13.503 -3.034 5.107 273 HB2 LYS 38 HB2 LYS 38 -11.992 -1.732 6.647 274 HB3 LYS 38 HB3 LYS 38 -13.285 -2.684 7.354 275 HG2 LYS 38 HG2 LYS 38 -11.619 -4.428 7.988 276 HG3 LYS 38 HG3 LYS 38 -10.327 -3.366 7.357 277 HD2 LYS 38 HD2 LYS 38 -10.941 -1.650 8.934 278 HD3 LYS 38 HD3 LYS 38 -12.297 -2.614 9.556 279 HE2 LYS 38 HE2 LYS 38 -10.758 -4.298 10.418 280 HE3 LYS 38 HE3 LYS 38 -9.376 -3.451 9.671 281 HZ1 LYS 38 HZ1 LYS 38 -9.339 -2.797 11.829 282 HZ2 LYS 38 HZ2 LYS 38 -10.998 -2.546 11.932 283 HZ3 LYS 38 HZ3 LYS 38 -10.078 -1.522 11.066 284 H MET 39 H MET 39 -10.270 -4.496 5.152 285 HA MET 39 HA MET 39 -8.960 -2.450 3.671 286 HB2 MET 39 HB2 MET 39 -8.429 -5.416 3.995 287 HB3 MET 39 HB3 MET 39 -7.429 -4.403 2.956 288 HG2 MET 39 HG2 MET 39 -7.823 -4.069 5.942 289 HG3 MET 39 HG3 MET 39 -6.401 -4.677 5.120 290 HE1 MET 39 HE1 MET 39 -6.436 -2.340 2.616 291 HE2 MET 39 HE2 MET 39 -5.217 -1.259 3.306 292 HE3 MET 39 HE3 MET 39 -4.969 -3.016 3.362 293 H LYS 40 H LYS 40 -11.134 -5.065 2.625 294 HA LYS 40 HA LYS 40 -10.500 -5.114 -0.106 295 HB2 LYS 40 HB2 LYS 40 -12.813 -5.915 1.522 296 HB3 LYS 40 HB3 LYS 40 -13.288 -5.327 -0.069 297 HG2 LYS 40 HG2 LYS 40 -12.973 -7.667 -0.307 298 HG3 LYS 40 HG3 LYS 40 -11.586 -6.899 -1.090 299 HD2 LYS 40 HD2 LYS 40 -10.336 -7.239 1.139 300 HD3 LYS 40 HD3 LYS 40 -11.685 -8.221 1.658 301 HE2 LYS 40 HE2 LYS 40 -10.076 -8.758 -0.885 302 HE3 LYS 40 HE3 LYS 40 -9.645 -9.416 0.695 303 HZ1 LYS 40 HZ1 LYS 40 -10.908 -10.981 -0.593 304 HZ2 LYS 40 HZ2 LYS 40 -12.219 -9.988 -0.653 305 HZ3 LYS 40 HZ3 LYS 40 -11.687 -10.582 0.787 306 H ARG 41 H ARG 41 -12.441 -2.658 1.675 307 HA ARG 41 HA ARG 41 -13.371 -1.249 -0.555 308 HB2 ARG 41 HB2 ARG 41 -13.903 -0.941 1.927 309 HB3 ARG 41 HB3 ARG 41 -12.395 -0.038 2.082 310 HG2 ARG 41 HG2 ARG 41 -13.237 1.634 0.446 311 HG3 ARG 41 HG3 ARG 41 -14.735 0.694 0.265 312 HD2 ARG 41 HD2 ARG 41 -15.147 0.945 2.714 313 HD3 ARG 41 HD3 ARG 41 -13.719 1.980 2.848 314 HE ARG 41 HE ARG 41 -15.000 3.350 0.989 315 HH11 ARG 41 HH11 ARG 41 -16.193 2.144 4.095 316 HH12 ARG 41 HH12 ARG 41 -17.720 2.869 4.038 317 HH21 ARG 41 HH21 ARG 41 -16.827 4.670 1.015 318 HH22 ARG 41 HH22 ARG 41 -18.087 4.488 2.222 319 H VAL 42 H VAL 42 -10.230 -0.966 1.131 320 HA VAL 42 HA VAL 42 -9.260 1.135 -0.590 321 HB VAL 42 HB VAL 42 -7.457 -0.561 1.138 322 HG11 VAL 42 HG11 VAL 42 -6.557 1.331 -0.243 323 HG12 VAL 42 HG12 VAL 42 -7.660 2.449 0.608 324 HG13 VAL 42 HG13 VAL 42 -6.377 1.625 1.498 325 HG21 VAL 42 HG21 VAL 42 -8.021 0.945 3.085 326 HG22 VAL 42 HG22 VAL 42 -9.454 1.487 2.194 327 HG23 VAL 42 HG23 VAL 42 -9.289 -0.210 2.695 328 H VAL 43 H VAL 43 -8.904 -2.418 -0.519 329 HA VAL 43 HA VAL 43 -6.902 -2.622 -2.559 330 HB VAL 43 HB VAL 43 -9.023 -4.522 -1.501 331 HG11 VAL 43 HG11 VAL 43 -7.723 -6.372 -2.586 332 HG12 VAL 43 HG12 VAL 43 -8.585 -5.339 -3.725 333 HG13 VAL 43 HG13 VAL 43 -6.837 -5.134 -3.507 334 HG21 VAL 43 HG21 VAL 43 -7.164 -5.625 -0.377 335 HG22 VAL 43 HG22 VAL 43 -6.001 -4.522 -1.121 336 HG23 VAL 43 HG23 VAL 43 -7.157 -3.913 0.068 337 H GLN 44 H GLN 44 -10.468 -2.579 -2.614 338 HA GLN 44 HA GLN 44 -10.620 -2.852 -5.478 339 HB2 GLN 44 HB2 GLN 44 -12.754 -2.375 -3.377 340 HB3 GLN 44 HB3 GLN 44 -13.058 -2.574 -5.117 341 HG2 GLN 44 HG2 GLN 44 -11.832 -4.755 -5.079 342 HG3 GLN 44 HG3 GLN 44 -11.609 -4.614 -3.351 343 HE21 GLN 44 HE21 GLN 44 -13.958 -5.254 -5.940 344 HE22 GLN 44 HE22 GLN 44 -15.028 -6.112 -4.857 345 H HIS 45 H HIS 45 -10.195 -0.102 -3.310 346 HA HIS 45 HA HIS 45 -11.336 1.905 -4.929 347 HB2 HIS 45 HB2 HIS 45 -10.604 2.666 -2.814 348 HB3 HIS 45 HB3 HIS 45 -9.015 1.943 -2.992 349 HD1 HIS 45 HD1 HIS 45 -10.914 5.105 -4.120 350 HD2 HIS 45 HD2 HIS 45 -7.173 3.170 -4.493 351 HE1 HIS 45 HE1 HIS 45 -9.357 6.755 -5.217 352 H THR 46 H THR 46 -7.914 0.561 -5.096 353 HA THR 46 HA THR 46 -7.195 2.214 -7.296 354 HB THR 46 HB THR 46 -5.738 0.881 -5.789 355 HG1 THR 46 HG1 THR 46 -4.852 1.957 -7.435 356 HG21 THR 46 HG21 THR 46 -5.105 -1.297 -6.324 357 HG22 THR 46 HG22 THR 46 -6.126 -1.359 -7.783 358 HG23 THR 46 HG23 THR 46 -6.850 -1.273 -6.157 359 H LYS 47 H LYS 47 -9.036 -0.776 -7.159 360 HA LYS 47 HA LYS 47 -9.085 -1.344 -9.962 361 HB2 LYS 47 HB2 LYS 47 -9.429 -2.853 -7.763 362 HB3 LYS 47 HB3 LYS 47 -11.130 -2.468 -8.068 363 HG2 LYS 47 HG2 LYS 47 -10.757 -3.230 -10.458 364 HG3 LYS 47 HG3 LYS 47 -9.126 -3.731 -10.005 365 HD2 LYS 47 HD2 LYS 47 -11.629 -4.797 -8.655 366 HD3 LYS 47 HD3 LYS 47 -10.932 -5.491 -10.122 367 HE2 LYS 47 HE2 LYS 47 -8.812 -5.908 -8.915 368 HE3 LYS 47 HE3 LYS 47 -9.532 -5.296 -7.420 369 HZ1 LYS 47 HZ1 LYS 47 -9.605 -7.743 -7.689 370 HZ2 LYS 47 HZ2 LYS 47 -10.586 -7.589 -8.981 371 HZ3 LYS 47 HZ3 LYS 47 -11.112 -7.136 -7.481 372 H GLY 48 H GLY 48 -10.591 1.128 -8.255 373 HA2 GLY 48 HA2 GLY 48 -12.851 1.355 -10.187 374 HA3 GLY 48 HA3 GLY 48 -12.980 1.826 -8.492 375 H CYS 49 H CYS 49 -10.008 2.721 -8.810 376 HA CYS 49 HA CYS 49 -10.517 5.462 -9.712 377 HB2 CYS 49 HB2 CYS 49 -9.600 4.560 -7.394 378 HB3 CYS 49 HB3 CYS 49 -8.088 4.395 -8.304 379 H LYS 50 H LYS 50 -10.309 5.316 -11.962 380 HA LYS 50 HA LYS 50 -8.066 3.957 -13.244 381 HB2 LYS 50 HB2 LYS 50 -10.340 5.724 -14.176 382 HB3 LYS 50 HB3 LYS 50 -8.967 5.445 -15.238 383 HG2 LYS 50 HG2 LYS 50 -10.871 3.915 -15.639 384 HG3 LYS 50 HG3 LYS 50 -9.308 3.135 -15.372 385 HD2 LYS 50 HD2 LYS 50 -9.982 2.608 -13.052 386 HD3 LYS 50 HD3 LYS 50 -11.556 3.352 -13.338 387 HE2 LYS 50 HE2 LYS 50 -11.993 1.720 -15.157 388 HE3 LYS 50 HE3 LYS 50 -10.376 1.030 -14.930 389 HZ1 LYS 50 HZ1 LYS 50 -11.037 0.376 -12.702 390 HZ2 LYS 50 HZ2 LYS 50 -12.026 -0.284 -13.859 391 HZ3 LYS 50 HZ3 LYS 50 -12.570 0.987 -12.975 392 H ARG 51 H ARG 51 -8.193 6.863 -11.504 393 HA ARG 51 HA ARG 51 -6.592 8.615 -12.988 394 HB2 ARG 51 HB2 ARG 51 -6.851 8.156 -9.996 395 HB3 ARG 51 HB3 ARG 51 -5.717 9.346 -10.648 396 HG2 ARG 51 HG2 ARG 51 -7.581 10.473 -11.795 397 HG3 ARG 51 HG3 ARG 51 -8.712 9.302 -11.106 398 HD2 ARG 51 HD2 ARG 51 -6.943 11.060 -9.384 399 HD3 ARG 51 HD3 ARG 51 -8.537 11.560 -9.959 400 HE ARG 51 HE ARG 51 -8.221 8.987 -8.490 401 HH11 ARG 51 HH11 ARG 51 -9.999 12.110 -8.796 402 HH12 ARG 51 HH12 ARG 51 -11.004 11.694 -7.449 403 HH21 ARG 51 HH21 ARG 51 -9.624 8.614 -6.751 404 HH22 ARG 51 HH22 ARG 51 -10.601 9.911 -6.102 405 H LYS 52 H LYS 52 -5.574 5.734 -11.157 406 HA LYS 52 HA LYS 52 -2.854 6.062 -11.088 407 HB2 LYS 52 HB2 LYS 52 -2.675 3.644 -10.984 408 HB3 LYS 52 HB3 LYS 52 -3.979 4.258 -9.988 409 HG2 LYS 52 HG2 LYS 52 -5.567 3.655 -11.931 410 HG3 LYS 52 HG3 LYS 52 -4.196 2.815 -12.647 411 HD2 LYS 52 HD2 LYS 52 -5.233 2.227 -9.851 412 HD3 LYS 52 HD3 LYS 52 -5.833 1.405 -11.295 413 HE2 LYS 52 HE2 LYS 52 -3.505 0.702 -11.847 414 HE3 LYS 52 HE3 LYS 52 -2.937 1.406 -10.333 415 HZ1 LYS 52 HZ1 LYS 52 -4.781 -0.878 -10.673 416 HZ2 LYS 52 HZ2 LYS 52 -4.489 -0.128 -9.209 417 HZ3 LYS 52 HZ3 LYS 52 -3.256 -0.862 -10.018 418 H THR 53 H THR 53 -4.617 4.625 -13.911 419 HA THR 53 HA THR 53 -2.226 4.357 -15.446 420 HB THR 53 HB THR 53 -5.112 4.604 -16.396 421 HG1 THR 53 HG1 THR 53 -3.798 2.159 -15.932 422 HG21 THR 53 HG21 THR 53 -4.368 3.106 -18.242 423 HG22 THR 53 HG22 THR 53 -2.695 3.206 -17.639 424 HG23 THR 53 HG23 THR 53 -3.510 4.652 -18.258 425 H ASN 54 H ASN 54 -4.803 6.896 -15.344 426 HA ASN 54 HA ASN 54 -3.777 8.462 -17.444 427 HB2 ASN 54 HB2 ASN 54 -6.028 8.739 -16.453 428 HB3 ASN 54 HB3 ASN 54 -5.297 9.446 -15.002 429 HD21 ASN 54 HD21 ASN 54 -6.824 11.303 -15.669 430 HD22 ASN 54 HD22 ASN 54 -6.231 12.409 -16.886 431 H GLY 55 H GLY 55 -3.034 8.761 -13.931 432 HA2 GLY 55 HA2 GLY 55 -0.399 9.857 -14.521 433 HA3 GLY 55 HA3 GLY 55 -1.513 11.036 -13.809 434 H GLY 56 H GLY 56 -2.941 9.574 -11.954 435 HA2 GLY 56 HA2 GLY 56 -1.898 7.640 -10.383 436 HA3 GLY 56 HA3 GLY 56 -0.895 8.988 -9.946 437 H CYS 57 H CYS 57 -3.466 7.286 -8.862 438 HA CYS 57 HA CYS 57 -5.297 9.365 -7.997 439 HB2 CYS 57 HB2 CYS 57 -4.928 6.768 -6.525 440 HB3 CYS 57 HB3 CYS 57 -6.423 7.638 -6.925 441 HA PRO 58 HA PRO 58 -2.904 10.404 -4.351 442 HB2 PRO 58 HB2 PRO 58 -4.724 10.684 -2.292 443 HB3 PRO 58 HB3 PRO 58 -4.484 11.863 -3.616 444 HG2 PRO 58 HG2 PRO 58 -6.568 9.664 -3.417 445 HG3 PRO 58 HG3 PRO 58 -6.825 11.373 -3.864 446 HD2 PRO 58 HD2 PRO 58 -6.615 9.455 -5.754 447 HD3 PRO 58 HD3 PRO 58 -5.841 11.040 -6.016 448 H ILE 59 H ILE 59 -5.470 8.165 -3.174 449 HA ILE 59 HA ILE 59 -3.993 6.838 -1.258 450 HB ILE 59 HB ILE 59 -6.264 5.833 -3.014 451 HG12 ILE 59 HG12 ILE 59 -6.215 7.056 -0.220 452 HG13 ILE 59 HG13 ILE 59 -6.791 7.842 -1.685 453 HG21 ILE 59 HG21 ILE 59 -6.700 4.074 -1.364 454 HG22 ILE 59 HG22 ILE 59 -5.080 3.884 -1.990 455 HG23 ILE 59 HG23 ILE 59 -5.317 4.602 -0.392 456 HD11 ILE 59 HD11 ILE 59 -8.068 5.497 -0.255 457 HD12 ILE 59 HD12 ILE 59 -8.701 7.136 -0.498 458 HD13 ILE 59 HD13 ILE 59 -8.548 6.032 -1.886 459 H CYS 60 H CYS 60 -4.419 5.890 -4.707 460 HA CYS 60 HA CYS 60 -2.792 3.592 -4.601 461 HB2 CYS 60 HB2 CYS 60 -3.321 5.337 -7.038 462 HB3 CYS 60 HB3 CYS 60 -2.873 3.656 -7.008 463 H LYS 61 H LYS 61 -1.839 7.016 -5.404 464 HA LYS 61 HA LYS 61 0.856 6.434 -6.086 465 HB2 LYS 61 HB2 LYS 61 -0.555 8.901 -4.986 466 HB3 LYS 61 HB3 LYS 61 1.195 8.884 -5.136 467 HG2 LYS 61 HG2 LYS 61 1.176 8.609 -7.471 468 HG3 LYS 61 HG3 LYS 61 -0.506 8.080 -7.502 469 HD2 LYS 61 HD2 LYS 61 -0.438 10.281 -8.403 470 HD3 LYS 61 HD3 LYS 61 -1.223 10.389 -6.822 471 HE2 LYS 61 HE2 LYS 61 0.766 11.366 -5.875 472 HE3 LYS 61 HE3 LYS 61 1.697 11.009 -7.332 473 HZ1 LYS 61 HZ1 LYS 61 -0.642 12.819 -7.305 474 HZ2 LYS 61 HZ2 LYS 61 0.386 12.585 -8.557 475 HZ3 LYS 61 HZ3 LYS 61 0.916 13.349 -7.204 476 H GLN 62 H GLN 62 -0.562 7.286 -2.861 477 HA GLN 62 HA GLN 62 2.012 7.014 -1.575 478 HB2 GLN 62 HB2 GLN 62 -0.667 6.678 -0.173 479 HB3 GLN 62 HB3 GLN 62 0.867 7.152 0.509 480 HG2 GLN 62 HG2 GLN 62 -1.107 8.769 -1.053 481 HG3 GLN 62 HG3 GLN 62 -0.300 9.152 0.470 482 HE21 GLN 62 HE21 GLN 62 2.399 9.171 0.001 483 HE22 GLN 62 HE22 GLN 62 2.722 10.355 -1.259 484 H LEU 63 H LEU 63 -0.531 4.631 -2.302 485 HA LEU 63 HA LEU 63 0.279 2.603 -0.542 486 HB2 LEU 63 HB2 LEU 63 -1.810 2.776 -1.994 487 HB3 LEU 63 HB3 LEU 63 -0.863 2.142 -3.331 488 HG LEU 63 HG LEU 63 -0.648 0.505 -0.851 489 HD11 LEU 63 HD11 LEU 63 -2.913 -0.403 -0.943 490 HD12 LEU 63 HD12 LEU 63 -3.380 0.773 -2.180 491 HD13 LEU 63 HD13 LEU 63 -2.962 1.326 -0.539 492 HD21 LEU 63 HD21 LEU 63 -1.612 -0.170 -3.676 493 HD22 LEU 63 HD22 LEU 63 -1.162 -1.335 -2.410 494 HD23 LEU 63 HD23 LEU 63 0.070 -0.278 -3.099 495 H ILE 64 H ILE 64 1.775 3.651 -3.511 496 HA ILE 64 HA ILE 64 3.279 1.342 -4.132 497 HB ILE 64 HB ILE 64 3.788 4.271 -4.757 498 HG12 ILE 64 HG12 ILE 64 2.631 1.999 -6.448 499 HG13 ILE 64 HG13 ILE 64 1.654 3.188 -5.592 500 HG21 ILE 64 HG21 ILE 64 5.090 1.798 -5.979 501 HG22 ILE 64 HG22 ILE 64 5.257 3.462 -6.586 502 HG23 ILE 64 HG23 ILE 64 5.910 3.043 -5.012 503 HD11 ILE 64 HD11 ILE 64 3.445 3.666 -7.942 504 HD12 ILE 64 HD12 ILE 64 1.700 3.885 -7.828 505 HD13 ILE 64 HD13 ILE 64 2.777 4.996 -6.950 506 H ALA 65 H ALA 65 3.793 3.962 -1.758 507 HA ALA 65 HA ALA 65 6.515 3.645 -1.183 508 HB1 ALA 65 HB1 ALA 65 5.988 4.618 1.005 509 HB2 ALA 65 HB2 ALA 65 4.948 5.407 -0.209 510 HB3 ALA 65 HB3 ALA 65 4.287 4.158 0.852 511 H LEU 66 H LEU 66 3.732 1.967 0.145 512 HA LEU 66 HA LEU 66 5.167 0.214 1.913 513 HB2 LEU 66 HB2 LEU 66 2.388 -0.109 0.647 514 HB3 LEU 66 HB3 LEU 66 3.043 -1.036 1.991 515 HG LEU 66 HG LEU 66 2.333 1.898 2.054 516 HD11 LEU 66 HD11 LEU 66 0.420 0.382 2.234 517 HD12 LEU 66 HD12 LEU 66 0.773 1.065 3.831 518 HD13 LEU 66 HD13 LEU 66 1.251 -0.595 3.461 519 HD21 LEU 66 HD21 LEU 66 2.991 1.586 4.520 520 HD22 LEU 66 HD22 LEU 66 4.322 1.667 3.377 521 HD23 LEU 66 HD23 LEU 66 3.771 0.101 4.037 522 H ALA 67 H ALA 67 3.987 -0.082 -1.428 523 HA ALA 67 HA ALA 67 4.519 -2.844 -1.792 524 HB1 ALA 67 HB1 ALA 67 4.652 -0.622 -3.882 525 HB2 ALA 67 HB2 ALA 67 4.431 -2.347 -4.168 526 HB3 ALA 67 HB3 ALA 67 3.168 -1.429 -3.321 527 H ALA 68 H ALA 68 6.540 0.016 -2.554 528 HA ALA 68 HA ALA 68 8.846 -1.390 -3.394 529 HB1 ALA 68 HB1 ALA 68 9.969 0.779 -3.051 530 HB2 ALA 68 HB2 ALA 68 8.419 0.989 -3.880 531 HB3 ALA 68 HB3 ALA 68 8.564 1.386 -2.150 532 H TYR 69 H TYR 69 7.802 -0.381 -0.107 533 HA TYR 69 HA TYR 69 10.341 -1.032 1.161 534 HB2 TYR 69 HB2 TYR 69 8.892 0.494 2.317 535 HB3 TYR 69 HB3 TYR 69 7.508 -0.566 2.160 536 HD1 TYR 69 HD1 TYR 69 10.380 0.311 4.300 537 HD2 TYR 69 HD2 TYR 69 7.311 -2.625 3.482 538 HE1 TYR 69 HE1 TYR 69 10.768 -0.717 6.498 539 HE2 TYR 69 HE2 TYR 69 7.617 -3.598 5.695 540 HH TYR 69 HH TYR 69 10.442 -2.901 7.662 541 H HIS 70 H HIS 70 7.236 -2.830 0.751 542 HA HIS 70 HA HIS 70 8.220 -5.168 2.081 543 HB2 HIS 70 HB2 HIS 70 5.986 -5.098 2.162 544 HB3 HIS 70 HB3 HIS 70 5.794 -4.315 0.606 545 HD1 HIS 70 HD1 HIS 70 5.283 -7.676 2.120 546 HD2 HIS 70 HD2 HIS 70 6.010 -5.895 -1.628 547 HE1 HIS 70 HE1 HIS 70 4.359 -9.268 0.350 548 H ALA 71 H ALA 71 8.410 -4.099 -1.338 549 HA ALA 71 HA ALA 71 9.054 -6.584 -2.435 550 HB1 ALA 71 HB1 ALA 71 8.614 -4.532 -3.783 551 HB2 ALA 71 HB2 ALA 71 10.178 -3.859 -3.245 552 HB3 ALA 71 HB3 ALA 71 10.137 -5.311 -4.259 553 H LYS 72 H LYS 72 11.156 -4.653 -0.337 554 HA LYS 72 HA LYS 72 13.542 -6.039 -1.356 555 HB2 LYS 72 HB2 LYS 72 14.838 -4.862 0.157 556 HB3 LYS 72 HB3 LYS 72 13.604 -3.716 -0.371 557 HG2 LYS 72 HG2 LYS 72 12.358 -4.370 1.834 558 HG3 LYS 72 HG3 LYS 72 13.815 -5.218 2.269 559 HD2 LYS 72 HD2 LYS 72 14.046 -3.130 3.313 560 HD3 LYS 72 HD3 LYS 72 15.097 -3.047 1.890 561 HE2 LYS 72 HE2 LYS 72 13.006 -1.992 0.703 562 HE3 LYS 72 HE3 LYS 72 12.353 -1.801 2.336 563 HZ1 LYS 72 HZ1 LYS 72 14.769 -0.593 1.172 564 HZ2 LYS 72 HZ2 LYS 72 14.560 -0.620 2.788 565 HZ3 LYS 72 HZ3 LYS 72 13.475 0.181 1.825 566 H HIS 73 H HIS 73 10.943 -6.931 0.640 567 HA HIS 73 HA HIS 73 12.458 -9.110 1.980 568 HB2 HIS 73 HB2 HIS 73 9.891 -7.691 2.787 569 HB3 HIS 73 HB3 HIS 73 10.669 -8.979 3.683 570 HD1 HIS 73 HD1 HIS 73 10.171 -5.634 4.307 571 HD2 HIS 73 HD2 HIS 73 13.671 -7.927 3.810 572 HE1 HIS 73 HE1 HIS 73 12.037 -4.375 5.519 573 H CYS 74 H CYS 74 10.245 -8.360 -0.482 574 HA CYS 74 HA CYS 74 9.015 -11.066 -0.535 575 HB2 CYS 74 HB2 CYS 74 7.541 -8.944 0.105 576 HB3 CYS 74 HB3 CYS 74 7.769 -8.526 -1.588 577 H GLN 75 H GLN 75 10.260 -11.954 -2.048 578 HA GLN 75 HA GLN 75 10.345 -10.783 -4.721 579 HB2 GLN 75 HB2 GLN 75 12.840 -11.313 -4.838 580 HB3 GLN 75 HB3 GLN 75 12.359 -9.831 -4.037 581 HG2 GLN 75 HG2 GLN 75 12.730 -10.818 -1.824 582 HG3 GLN 75 HG3 GLN 75 13.121 -12.378 -2.550 583 HE21 GLN 75 HE21 GLN 75 15.266 -12.744 -3.013 584 HE22 GLN 75 HE22 GLN 75 16.521 -11.507 -3.038 585 H GLU 76 H GLU 76 8.843 -12.394 -5.132 586 HA GLU 76 HA GLU 76 9.945 -15.135 -5.111 587 HB2 GLU 76 HB2 GLU 76 7.671 -15.918 -4.495 588 HB3 GLU 76 HB3 GLU 76 8.616 -15.239 -3.178 589 HG2 GLU 76 HG2 GLU 76 7.225 -13.266 -3.143 590 HG3 GLU 76 HG3 GLU 76 6.418 -13.768 -4.634 591 H ASN 77 H ASN 77 8.270 -16.579 -6.206 592 HA ASN 77 HA ASN 77 8.296 -16.117 -8.980 593 HB2 ASN 77 HB2 ASN 77 6.470 -17.926 -7.304 594 HB3 ASN 77 HB3 ASN 77 6.593 -17.961 -9.062 595 HD21 ASN 77 HD21 ASN 77 7.826 -19.380 -6.205 596 HD22 ASN 77 HD22 ASN 77 9.312 -19.996 -6.890 597 H LYS 78 H LYS 78 5.505 -16.014 -6.708 598 HA LYS 78 HA LYS 78 4.172 -13.984 -8.417 599 HB2 LYS 78 HB2 LYS 78 3.313 -16.318 -8.801 600 HB3 LYS 78 HB3 LYS 78 2.912 -16.413 -7.090 601 HG2 LYS 78 HG2 LYS 78 0.886 -15.954 -8.108 602 HG3 LYS 78 HG3 LYS 78 1.375 -14.373 -7.495 603 HD2 LYS 78 HD2 LYS 78 2.311 -13.920 -9.850 604 HD3 LYS 78 HD3 LYS 78 1.497 -15.396 -10.374 605 HE2 LYS 78 HE2 LYS 78 0.136 -13.020 -9.016 606 HE3 LYS 78 HE3 LYS 78 0.216 -13.252 -10.761 607 HZ1 LYS 78 HZ1 LYS 78 -1.173 -15.058 -8.873 608 HZ2 LYS 78 HZ2 LYS 78 -1.080 -15.250 -10.518 609 HZ3 LYS 78 HZ3 LYS 78 -1.873 -13.975 -9.860 610 H CYS 79 H CYS 79 5.128 -12.479 -6.893 611 HA CYS 79 HA CYS 79 4.866 -12.259 -4.197 612 HB2 CYS 79 HB2 CYS 79 4.949 -10.316 -6.475 613 HB3 CYS 79 HB3 CYS 79 4.198 -9.680 -5.047 614 HA PRO 80 HA PRO 80 0.440 -12.373 -3.536 615 HB2 PRO 80 HB2 PRO 80 0.258 -11.407 -0.953 616 HB3 PRO 80 HB3 PRO 80 0.779 -13.059 -1.399 617 HG2 PRO 80 HG2 PRO 80 2.531 -10.653 -0.812 618 HG3 PRO 80 HG3 PRO 80 2.680 -12.317 -0.158 619 HD2 PRO 80 HD2 PRO 80 4.172 -11.507 -2.264 620 HD3 PRO 80 HD3 PRO 80 3.466 -13.149 -2.255 621 H VAL 81 H VAL 81 2.182 -9.194 -3.046 622 HA VAL 81 HA VAL 81 -0.393 -7.836 -3.226 623 HB VAL 81 HB VAL 81 2.447 -6.876 -2.731 624 HG11 VAL 81 HG11 VAL 81 1.216 -5.073 -3.830 625 HG12 VAL 81 HG12 VAL 81 -0.149 -5.279 -2.705 626 HG13 VAL 81 HG13 VAL 81 1.429 -4.708 -2.126 627 HG21 VAL 81 HG21 VAL 81 1.534 -8.133 -0.871 628 HG22 VAL 81 HG22 VAL 81 1.552 -6.417 -0.472 629 HG23 VAL 81 HG23 VAL 81 0.022 -7.189 -0.943 630 HA PRO 82 HA PRO 82 0.156 -7.600 -7.679 631 HB2 PRO 82 HB2 PRO 82 -1.765 -5.725 -8.310 632 HB3 PRO 82 HB3 PRO 82 -2.138 -7.428 -7.893 633 HG2 PRO 82 HG2 PRO 82 -2.204 -4.990 -6.091 634 HG3 PRO 82 HG3 PRO 82 -3.440 -6.268 -6.287 635 HD2 PRO 82 HD2 PRO 82 -1.642 -6.303 -4.243 636 HD3 PRO 82 HD3 PRO 82 -2.142 -7.822 -5.053 637 H PHE 83 H PHE 83 0.293 -4.766 -5.540 638 HA PHE 83 HA PHE 83 1.396 -2.980 -7.532 639 HB2 PHE 83 HB2 PHE 83 0.947 -2.878 -4.554 640 HB3 PHE 83 HB3 PHE 83 2.152 -1.832 -5.271 641 HD1 PHE 83 HD1 PHE 83 -1.372 -2.824 -6.314 642 HD2 PHE 83 HD2 PHE 83 1.490 0.306 -5.528 643 HE1 PHE 83 HE1 PHE 83 -3.073 -1.105 -6.818 644 HE2 PHE 83 HE2 PHE 83 -0.192 2.002 -6.045 645 HZ PHE 83 HZ PHE 83 -2.546 1.308 -6.660 646 H CYS 84 H CYS 84 2.910 -4.898 -4.786 647 HA CYS 84 HA CYS 84 5.531 -3.972 -5.361 648 HB2 CYS 84 HB2 CYS 84 6.269 -5.549 -3.822 649 HB3 CYS 84 HB3 CYS 84 4.648 -5.079 -3.232 650 H LEU 85 H LEU 85 3.655 -6.532 -6.701 651 HA LEU 85 HA LEU 85 5.571 -7.986 -8.064 652 HB2 LEU 85 HB2 LEU 85 3.092 -8.425 -7.943 653 HB3 LEU 85 HB3 LEU 85 2.843 -7.134 -9.116 654 HG LEU 85 HG LEU 85 4.237 -8.406 -10.776 655 HD11 LEU 85 HD11 LEU 85 4.154 -10.524 -8.582 656 HD12 LEU 85 HD12 LEU 85 5.578 -9.832 -9.324 657 HD13 LEU 85 HD13 LEU 85 4.528 -10.896 -10.277 658 HD21 LEU 85 HD21 LEU 85 2.429 -10.158 -11.166 659 HD22 LEU 85 HD22 LEU 85 1.908 -8.470 -11.033 660 HD23 LEU 85 HD23 LEU 85 1.683 -9.557 -9.667 661 H ASN 86 H ASN 86 4.385 -4.734 -8.753 662 HA ASN 86 HA ASN 86 5.377 -4.496 -11.441 663 HB2 ASN 86 HB2 ASN 86 3.779 -2.812 -10.368 664 HB3 ASN 86 HB3 ASN 86 5.155 -2.196 -9.459 665 HD21 ASN 86 HD21 ASN 86 5.837 -0.269 -10.470 666 HD22 ASN 86 HD22 ASN 86 5.978 -0.068 -12.189 667 H ILE 87 H ILE 87 6.768 -3.697 -8.208 668 HA ILE 87 HA ILE 87 9.150 -2.577 -9.181 669 HB ILE 87 HB ILE 87 8.540 -3.867 -6.504 670 HG12 ILE 87 HG12 ILE 87 8.970 -1.207 -6.030 671 HG13 ILE 87 HG13 ILE 87 8.406 -1.077 -7.683 672 HG21 ILE 87 HG21 ILE 87 10.940 -4.028 -6.802 673 HG22 ILE 87 HG22 ILE 87 11.033 -2.335 -7.356 674 HG23 ILE 87 HG23 ILE 87 10.585 -2.730 -5.674 675 HD11 ILE 87 HD11 ILE 87 6.298 -2.276 -6.982 676 HD12 ILE 87 HD12 ILE 87 6.946 -2.329 -5.323 677 HD13 ILE 87 HD13 ILE 87 6.582 -0.775 -6.085 678 H LYS 88 H LYS 88 8.247 -6.007 -8.721 679 HA LYS 88 HA LYS 88 10.896 -7.033 -9.205 680 HB2 LYS 88 HB2 LYS 88 9.267 -8.472 -8.201 681 HB3 LYS 88 HB3 LYS 88 8.140 -8.264 -9.538 682 HG2 LYS 88 HG2 LYS 88 9.675 -9.462 -11.058 683 HG3 LYS 88 HG3 LYS 88 10.837 -9.673 -9.740 684 HD2 LYS 88 HD2 LYS 88 9.191 -11.034 -8.504 685 HD3 LYS 88 HD3 LYS 88 7.966 -10.704 -9.760 686 HE2 LYS 88 HE2 LYS 88 9.407 -11.845 -11.452 687 HE3 LYS 88 HE3 LYS 88 10.605 -12.186 -10.203 688 HZ1 LYS 88 HZ1 LYS 88 9.131 -14.069 -10.637 689 HZ2 LYS 88 HZ2 LYS 88 7.825 -13.239 -10.186 690 HZ3 LYS 88 HZ3 LYS 88 8.969 -13.538 -9.067 691 H GLN 89 H GLN 89 8.127 -6.678 -11.487 692 HA GLN 89 HA GLN 89 9.790 -7.293 -13.777 693 HB2 GLN 89 HB2 GLN 89 7.851 -6.600 -15.140 694 HB3 GLN 89 HB3 GLN 89 7.444 -7.789 -13.919 695 HG2 GLN 89 HG2 GLN 89 6.220 -6.236 -12.641 696 HG3 GLN 89 HG3 GLN 89 7.066 -4.846 -13.316 697 HE21 GLN 89 HE21 GLN 89 5.453 -3.606 -14.235 698 HE22 GLN 89 HE22 GLN 89 4.343 -4.241 -15.422 699 H LYS 90 H LYS 90 9.805 -4.457 -12.029 700 HA LYS 90 HA LYS 90 10.727 -2.893 -14.359 701 HB2 LYS 90 HB2 LYS 90 8.906 -1.825 -12.173 702 HB3 LYS 90 HB3 LYS 90 9.782 -0.813 -13.306 703 HG2 LYS 90 HG2 LYS 90 7.814 -2.941 -14.189 704 HG3 LYS 90 HG3 LYS 90 7.364 -1.275 -13.912 705 HD2 LYS 90 HD2 LYS 90 8.569 -0.453 -15.739 706 HD3 LYS 90 HD3 LYS 90 9.630 -1.854 -15.854 707 HE2 LYS 90 HE2 LYS 90 6.645 -1.939 -16.402 708 HE3 LYS 90 HE3 LYS 90 7.867 -1.692 -17.654 709 HZ1 LYS 90 HZ1 LYS 90 8.756 -3.855 -17.239 710 HZ2 LYS 90 HZ2 LYS 90 7.133 -4.060 -17.335 711 HZ3 LYS 90 HZ3 LYS 90 7.920 -4.052 -15.881 712 H GLY 91 H GLY 91 12.103 -4.593 -12.425 713 HA2 GLY 91 HA2 GLY 91 13.538 -2.920 -10.530 714 HA3 GLY 91 HA3 GLY 91 13.870 -4.598 -10.982 715 H THR 92 H THR 92 13.936 -1.302 -12.376 716 HA THR 92 HA THR 92 16.507 -1.893 -13.711 717 HB THR 92 HB THR 92 15.725 -1.001 -15.833 718 HG1 THR 92 HG1 THR 92 14.133 0.287 -15.499 719 HG21 THR 92 HG21 THR 92 15.461 -3.462 -15.470 720 HG22 THR 92 HG22 THR 92 14.295 -2.786 -16.616 721 HG23 THR 92 HG23 THR 92 13.776 -3.178 -14.971 722 H ILE 93 H ILE 93 14.932 0.176 -11.606 723 HA ILE 93 HA ILE 93 16.648 2.439 -12.453 724 HB ILE 93 HB ILE 93 15.064 3.989 -11.506 725 HG12 ILE 93 HG12 ILE 93 12.644 3.430 -11.382 726 HG13 ILE 93 HG13 ILE 93 13.066 1.730 -11.261 727 HG21 ILE 93 HG21 ILE 93 15.162 3.478 -13.936 728 HG22 ILE 93 HG22 ILE 93 13.816 2.338 -13.726 729 HG23 ILE 93 HG23 ILE 93 13.578 4.067 -13.423 730 HD11 ILE 93 HD11 ILE 93 14.076 2.142 -9.060 731 HD12 ILE 93 HD12 ILE 93 14.023 3.903 -9.323 732 HD13 ILE 93 HD13 ILE 93 12.532 2.978 -9.096 733 H GLU 94 H GLU 94 15.584 0.312 -10.034 734 HA GLU 94 HA GLU 94 16.637 1.548 -7.689 735 HB2 GLU 94 HB2 GLU 94 14.818 -0.088 -7.812 736 HB3 GLU 94 HB3 GLU 94 15.899 -1.334 -8.420 737 HG2 GLU 94 HG2 GLU 94 16.400 -0.065 -5.723 738 HG3 GLU 94 HG3 GLU 94 15.066 -1.199 -5.915 739 H GLY 95 H GLY 95 18.358 -0.157 -6.420 740 HA2 GLY 95 HA2 GLY 95 20.337 -1.456 -6.921 741 HA3 GLY 95 HA3 GLY 95 20.750 -0.266 -8.175 742 H ARG 96 H ARG 96 20.545 2.134 -7.225 743 HA ARG 96 HA ARG 96 22.575 2.324 -5.252 744 HB2 ARG 96 HB2 ARG 96 22.124 4.076 -6.945 745 HB3 ARG 96 HB3 ARG 96 20.601 4.479 -6.145 746 HG2 ARG 96 HG2 ARG 96 22.374 6.073 -5.573 747 HG3 ARG 96 HG3 ARG 96 21.836 5.198 -4.134 748 HD2 ARG 96 HD2 ARG 96 23.805 3.698 -4.301 749 HD3 ARG 96 HD3 ARG 96 24.340 4.551 -5.765 750 HE ARG 96 HE ARG 96 24.073 6.515 -3.840 751 HH11 ARG 96 HH11 ARG 96 25.897 3.434 -3.976 752 HH12 ARG 96 HH12 ARG 96 27.222 4.022 -3.065 753 HH21 ARG 96 HH21 ARG 96 25.802 7.248 -2.486 754 HH22 ARG 96 HH22 ARG 96 27.122 6.200 -2.130 755 H GLY 97 H GLY 97 19.002 2.687 -5.036 756 HA2 GLY 97 HA2 GLY 97 18.540 1.453 -2.689 757 HA3 GLY 97 HA3 GLY 97 19.014 3.098 -2.180 758 H ASN 98 H ASN 98 16.428 2.400 -1.586 759 HA ASN 98 HA ASN 98 14.845 4.191 -3.233 760 HB2 ASN 98 HB2 ASN 98 14.674 1.978 -4.415 761 HB3 ASN 98 HB3 ASN 98 14.084 1.246 -2.920 762 HD21 ASN 98 HD21 ASN 98 12.319 0.744 -4.708 763 HD22 ASN 98 HD22 ASN 98 11.077 1.960 -4.957 764 H GLU 99 H GLU 99 13.660 5.303 -1.747 765 HA GLU 99 HA GLU 99 12.636 4.074 0.704 766 HB2 GLU 99 HB2 GLU 99 14.489 6.509 0.702 767 HB3 GLU 99 HB3 GLU 99 13.314 6.171 1.974 768 HG2 GLU 99 HG2 GLU 99 14.462 3.933 2.296 769 HG3 GLU 99 HG3 GLU 99 15.760 4.539 1.260 770 H PHE 100 H PHE 100 10.546 4.838 0.914 771 HA PHE 100 HA PHE 100 9.777 7.393 -0.414 772 HB2 PHE 100 HB2 PHE 100 9.020 5.341 -1.637 773 HB3 PHE 100 HB3 PHE 100 8.112 4.885 -0.199 774 HD1 PHE 100 HD1 PHE 100 6.970 5.169 -2.956 775 HD2 PHE 100 HD2 PHE 100 7.257 8.102 0.224 776 HE1 PHE 100 HE1 PHE 100 4.848 6.202 -3.674 777 HE2 PHE 100 HE2 PHE 100 5.217 9.139 -0.539 778 HZ PHE 100 HZ PHE 100 3.931 8.167 -2.464 779 H LEU 101 H LEU 101 9.924 8.607 1.403 780 HA LEU 101 HA LEU 101 8.736 7.641 3.973 781 HB2 LEU 101 HB2 LEU 101 10.664 9.890 3.291 782 HB3 LEU 101 HB3 LEU 101 9.973 9.631 4.896 783 HG LEU 101 HG LEU 101 11.561 7.453 3.454 784 HD11 LEU 101 HD11 LEU 101 13.514 8.169 4.744 785 HD12 LEU 101 HD12 LEU 101 12.593 9.572 5.354 786 HD13 LEU 101 HD13 LEU 101 12.954 9.403 3.608 787 HD21 LEU 101 HD21 LEU 101 11.919 6.608 5.767 788 HD22 LEU 101 HD22 LEU 101 10.200 6.634 5.330 789 HD23 LEU 101 HD23 LEU 101 10.860 7.889 6.390 790 H SER 102 H SER 102 6.645 7.874 3.446 791 HA SER 102 HA SER 102 5.451 10.009 2.025 792 HB2 SER 102 HB2 SER 102 3.385 8.885 3.196 793 HB3 SER 102 HB3 SER 102 4.319 7.979 2.010 794 HG SER 102 HG SER 102 4.900 7.788 4.799 795 HA PRO 103 HA PRO 103 4.699 12.961 5.264 796 HB2 PRO 103 HB2 PRO 103 2.496 14.282 4.380 797 HB3 PRO 103 HB3 PRO 103 3.996 14.247 3.407 798 HG2 PRO 103 HG2 PRO 103 1.563 12.462 3.160 799 HG3 PRO 103 HG3 PRO 103 2.362 13.415 1.868 800 HD2 PRO 103 HD2 PRO 103 2.891 10.768 2.327 801 HD3 PRO 103 HD3 PRO 103 4.146 11.907 1.753 802 H GLU 104 H GLU 104 2.526 13.841 6.562 803 HA GLU 104 HA GLU 104 1.720 11.709 8.291 804 HB2 GLU 104 HB2 GLU 104 0.150 13.322 9.264 805 HB3 GLU 104 HB3 GLU 104 1.817 13.850 9.229 806 HG2 GLU 104 HG2 GLU 104 -0.095 14.688 7.063 807 HG3 GLU 104 HG3 GLU 104 -0.089 15.518 8.643 808 H VAL 105 H VAL 105 0.370 12.964 5.341 809 HA VAL 105 HA VAL 105 -2.246 12.079 5.503 810 HB VAL 105 HB VAL 105 -0.607 12.160 2.948 811 HG11 VAL 105 HG11 VAL 105 -3.566 12.453 3.557 812 HG12 VAL 105 HG12 VAL 105 -2.847 12.947 2.020 813 HG13 VAL 105 HG13 VAL 105 -2.789 11.249 2.518 814 HG21 VAL 105 HG21 VAL 105 -1.389 14.547 2.809 815 HG22 VAL 105 HG22 VAL 105 -1.967 14.440 4.476 816 HG23 VAL 105 HG23 VAL 105 -0.233 14.297 4.110 817 H PHE 106 H PHE 106 0.603 10.126 5.209 818 HA PHE 106 HA PHE 106 -0.387 7.792 3.959 819 HB2 PHE 106 HB2 PHE 106 1.945 8.081 4.522 820 HB3 PHE 106 HB3 PHE 106 1.590 8.303 6.221 821 HD1 PHE 106 HD1 PHE 106 1.402 5.728 3.487 822 HD2 PHE 106 HD2 PHE 106 1.800 6.495 7.715 823 HE1 PHE 106 HE1 PHE 106 1.776 3.347 3.882 824 HE2 PHE 106 HE2 PHE 106 2.205 4.088 8.118 825 HZ PHE 106 HZ PHE 106 2.184 2.486 6.213 826 H GLN 107 H GLN 107 -0.566 8.879 7.382 827 HA GLN 107 HA GLN 107 -2.092 6.568 8.241 828 HB2 GLN 107 HB2 GLN 107 -1.438 9.250 9.469 829 HB3 GLN 107 HB3 GLN 107 -2.471 8.074 10.289 830 HG2 GLN 107 HG2 GLN 107 -0.744 6.483 10.522 831 HG3 GLN 107 HG3 GLN 107 0.275 7.262 9.315 832 HE21 GLN 107 HE21 GLN 107 1.635 8.937 9.899 833 HE22 GLN 107 HE22 GLN 107 1.569 9.739 11.432 834 H HIS 108 H HIS 108 -2.944 9.779 6.929 835 HA HIS 108 HA HIS 108 -5.640 9.862 7.849 836 HB2 HIS 108 HB2 HIS 108 -4.594 10.821 5.143 837 HB3 HIS 108 HB3 HIS 108 -6.110 11.252 5.877 838 HD1 HIS 108 HD1 HIS 108 -5.014 13.718 5.285 839 HD2 HIS 108 HD2 HIS 108 -3.300 11.482 8.423 840 HE1 HIS 108 HE1 HIS 108 -3.494 15.321 6.583 841 H ILE 109 H ILE 109 -4.171 8.502 4.888 842 HA ILE 109 HA ILE 109 -6.449 7.463 3.674 843 HB ILE 109 HB ILE 109 -3.605 6.481 3.578 844 HG12 ILE 109 HG12 ILE 109 -5.156 8.128 1.521 845 HG13 ILE 109 HG13 ILE 109 -4.296 8.917 2.823 846 HG21 ILE 109 HG21 ILE 109 -5.912 5.736 1.756 847 HG22 ILE 109 HG22 ILE 109 -4.196 5.417 1.431 848 HG23 ILE 109 HG23 ILE 109 -4.974 4.651 2.806 849 HD11 ILE 109 HD11 ILE 109 -2.164 8.015 2.089 850 HD12 ILE 109 HD12 ILE 109 -2.956 7.154 0.751 851 HD13 ILE 109 HD13 ILE 109 -2.968 8.923 0.798 852 H TRP 110 H TRP 110 -4.451 6.003 6.272 853 HA TRP 110 HA TRP 110 -6.002 3.536 6.155 854 HB2 TRP 110 HB2 TRP 110 -4.054 4.381 8.311 855 HB3 TRP 110 HB3 TRP 110 -4.636 2.761 7.925 856 HD1 TRP 110 HD1 TRP 110 -1.592 4.432 7.744 857 HE1 TRP 110 HE1 TRP 110 -0.152 3.915 5.717 858 HE3 TRP 110 HE3 TRP 110 -5.101 2.062 4.861 859 HZ2 TRP 110 HZ2 TRP 110 -0.509 2.731 3.081 860 HZ3 TRP 110 HZ3 TRP 110 -4.511 1.200 2.649 861 HH2 TRP 110 HH2 TRP 110 -2.192 1.498 1.738 862 H ASP 111 H ASP 111 -6.261 6.567 7.879 863 HA ASP 111 HA ASP 111 -7.804 5.457 10.104 864 HB2 ASP 111 HB2 ASP 111 -6.374 7.521 10.275 865 HB3 ASP 111 HB3 ASP 111 -7.517 8.352 9.214 866 H PHE 112 H PHE 112 -8.505 7.553 7.278 867 HA PHE 112 HA PHE 112 -11.295 7.523 7.675 868 HB2 PHE 112 HB2 PHE 112 -11.479 8.828 5.866 869 HB3 PHE 112 HB3 PHE 112 -9.747 8.999 6.047 870 HD1 PHE 112 HD1 PHE 112 -12.503 7.681 3.998 871 HD2 PHE 112 HD2 PHE 112 -8.278 7.598 4.608 872 HE1 PHE 112 HE1 PHE 112 -12.207 6.457 1.846 873 HE2 PHE 112 HE2 PHE 112 -7.949 6.490 2.380 874 HZ PHE 112 HZ PHE 112 -9.981 5.946 0.994 875 H LEU 113 H LEU 113 -9.283 4.974 6.537 876 HA LEU 113 HA LEU 113 -11.025 3.680 4.734 877 HB2 LEU 113 HB2 LEU 113 -9.597 1.942 4.731 878 HB3 LEU 113 HB3 LEU 113 -8.552 3.124 5.465 879 HG LEU 113 HG LEU 113 -9.199 2.062 7.738 880 HD11 LEU 113 HD11 LEU 113 -9.675 -0.477 7.401 881 HD12 LEU 113 HD12 LEU 113 -10.306 -0.021 5.799 882 HD13 LEU 113 HD13 LEU 113 -11.038 0.606 7.295 883 HD21 LEU 113 HD21 LEU 113 -7.695 0.418 5.645 884 HD22 LEU 113 HD22 LEU 113 -7.536 0.259 7.411 885 HD23 LEU 113 HD23 LEU 113 -7.013 1.739 6.607 886 H GLU 114 H GLU 114 -11.123 4.005 8.200 887 HA GLU 114 HA GLU 114 -13.142 1.951 8.651 888 HB2 GLU 114 HB2 GLU 114 -12.176 4.167 10.464 889 HB3 GLU 114 HB3 GLU 114 -13.157 2.789 10.945 890 HG2 GLU 114 HG2 GLU 114 -10.278 2.698 9.951 891 HG3 GLU 114 HG3 GLU 114 -10.822 2.485 11.600 892 H GLN 115 H GLN 115 -13.103 5.469 8.474 893 HA GLN 115 HA GLN 115 -15.876 5.848 9.034 894 HB2 GLN 115 HB2 GLN 115 -13.680 7.514 7.738 895 HB3 GLN 115 HB3 GLN 115 -15.287 8.170 7.993 896 HG2 GLN 115 HG2 GLN 115 -15.146 7.820 10.405 897 HG3 GLN 115 HG3 GLN 115 -13.587 7.002 10.247 898 HE21 GLN 115 HE21 GLN 115 -14.826 9.935 11.240 899 HE22 GLN 115 HE22 GLN 115 -13.528 10.984 10.747 900 HA PRO 116 HA PRO 116 -17.743 5.004 5.097 901 HB2 PRO 116 HB2 PRO 116 -19.940 6.603 5.041 902 HB3 PRO 116 HB3 PRO 116 -19.716 5.403 6.344 903 HG2 PRO 116 HG2 PRO 116 -18.966 8.356 6.416 904 HG3 PRO 116 HG3 PRO 116 -20.012 7.460 7.564 905 HD2 PRO 116 HD2 PRO 116 -17.368 7.852 8.026 906 HD3 PRO 116 HD3 PRO 116 -18.165 6.321 8.492 907 H ILE 117 H ILE 117 -19.008 6.737 3.275 908 HA ILE 117 HA ILE 117 -16.910 7.694 1.660 909 HB ILE 117 HB ILE 117 -19.897 8.135 1.796 910 HG12 ILE 117 HG12 ILE 117 -18.192 7.139 -0.530 911 HG13 ILE 117 HG13 ILE 117 -18.622 6.080 0.795 912 HG21 ILE 117 HG21 ILE 117 -19.831 9.454 -0.311 913 HG22 ILE 117 HG22 ILE 117 -19.144 10.329 1.043 914 HG23 ILE 117 HG23 ILE 117 -18.063 9.588 -0.168 915 HD11 ILE 117 HD11 ILE 117 -20.168 5.764 -1.039 916 HD12 ILE 117 HD12 ILE 117 -21.013 6.429 0.366 917 HD13 ILE 117 HD13 ILE 117 -20.615 7.478 -1.016 918 H SER 118 H SER 118 -15.603 9.394 1.829 919 HA SER 118 HA SER 118 -16.469 11.789 3.279 920 HB2 SER 118 HB2 SER 118 -15.286 10.364 4.966 921 HB3 SER 118 HB3 SER 118 -13.838 10.408 3.953 922 HG SER 118 HG SER 118 -15.214 12.720 4.952 923 H SER 119 H SER 119 -13.022 11.208 2.248 924 HA SER 119 HA SER 119 -13.608 12.497 -0.256 925 HB2 SER 119 HB2 SER 119 -12.195 13.760 2.063 926 HB3 SER 119 HB3 SER 119 -11.342 13.833 0.503 927 HG SER 119 HG SER 119 -13.209 14.594 -0.462 928 H VAL 120 H VAL 120 -12.548 11.784 -1.721 929 HA VAL 120 HA VAL 120 -10.060 10.227 -1.436 930 HB VAL 120 HB VAL 120 -12.471 9.043 -2.868 931 HG11 VAL 120 HG11 VAL 120 -10.908 6.994 -2.794 932 HG12 VAL 120 HG12 VAL 120 -10.491 8.276 -3.941 933 HG13 VAL 120 HG13 VAL 120 -9.609 8.143 -2.408 934 HG21 VAL 120 HG21 VAL 120 -12.880 8.859 -0.466 935 HG22 VAL 120 HG22 VAL 120 -12.444 7.288 -1.114 936 HG23 VAL 120 HG23 VAL 120 -11.240 8.233 -0.207 937 H GLN 121 H GLN 121 -9.869 12.667 -2.192 938 HA GLN 121 HA GLN 121 -9.738 12.710 -5.138 939 HB2 GLN 121 HB2 GLN 121 -10.935 14.814 -3.311 940 HB3 GLN 121 HB3 GLN 121 -10.143 15.282 -4.822 941 HG2 GLN 121 HG2 GLN 121 -11.628 13.869 -6.135 942 HG3 GLN 121 HG3 GLN 121 -12.419 13.278 -4.668 943 HE21 GLN 121 HE21 GLN 121 -12.741 15.551 -7.172 944 HE22 GLN 121 HE22 GLN 121 -13.879 16.605 -6.350 945 HA PRO 122 HA PRO 122 -5.575 13.658 -3.964 946 HB2 PRO 122 HB2 PRO 122 -4.585 14.741 -6.279 947 HB3 PRO 122 HB3 PRO 122 -4.900 13.004 -6.058 948 HG2 PRO 122 HG2 PRO 122 -6.648 15.063 -7.429 949 HG3 PRO 122 HG3 PRO 122 -6.289 13.382 -7.944 950 HD2 PRO 122 HD2 PRO 122 -8.594 14.105 -6.660 951 HD3 PRO 122 HD3 PRO 122 -7.841 12.492 -6.471 952 H ILE 123 H ILE 123 -4.995 15.268 -2.630 953 HA ILE 123 HA ILE 123 -6.149 17.944 -2.959 954 HB ILE 123 HB ILE 123 -4.815 18.442 -0.882 955 HG12 ILE 123 HG12 ILE 123 -4.247 15.440 -0.837 956 HG13 ILE 123 HG13 ILE 123 -3.052 16.689 -1.180 957 HG21 ILE 123 HG21 ILE 123 -6.435 17.230 0.538 958 HG22 ILE 123 HG22 ILE 123 -7.178 17.854 -0.923 959 HG23 ILE 123 HG23 ILE 123 -6.806 16.124 -0.821 960 HD11 ILE 123 HD11 ILE 123 -2.934 15.911 1.152 961 HD12 ILE 123 HD12 ILE 123 -3.350 17.636 1.066 962 HD13 ILE 123 HD13 ILE 123 -4.591 16.425 1.445 963 H ASP 124 H ASP 124 -4.616 19.842 -2.768 964 HA ASP 124 HA ASP 124 -2.757 19.671 -5.015 965 HB2 ASP 124 HB2 ASP 124 -2.609 22.098 -4.801 966 HB3 ASP 124 HB3 ASP 124 -4.283 21.573 -4.932 Start of MODEL 19 1 H1 ALA 1 H ALA 1 18.814 -3.985 16.167 2 HA ALA 1 HA ALA 1 15.881 -3.579 15.991 3 HB1 ALA 1 HB1 ALA 1 15.891 -3.639 18.495 4 HB2 ALA 1 HB2 ALA 1 16.305 -5.205 17.774 5 HB3 ALA 1 HB3 ALA 1 17.578 -4.179 18.462 6 H THR 2 H THR 2 15.430 -1.427 15.789 7 HA THR 2 HA THR 2 15.633 0.726 15.616 8 HB THR 2 HB THR 2 15.743 1.896 17.629 9 HG1 THR 2 HG1 THR 2 16.563 0.896 19.540 10 HG21 THR 2 HG21 THR 2 14.362 0.555 19.127 11 HG22 THR 2 HG22 THR 2 14.937 -0.951 18.431 12 HG23 THR 2 HG23 THR 2 13.929 0.144 17.467 13 H GLN 3 H GLN 3 18.342 -0.881 15.167 14 HA GLN 3 HA GLN 3 20.308 1.269 15.130 15 HB2 GLN 3 HB2 GLN 3 20.772 -0.978 15.964 16 HB3 GLN 3 HB3 GLN 3 20.264 -1.699 14.440 17 HG2 GLN 3 HG2 GLN 3 22.217 -0.619 13.301 18 HG3 GLN 3 HG3 GLN 3 22.738 -0.004 14.884 19 HE21 GLN 3 HE21 GLN 3 23.494 -2.432 12.737 20 HE22 GLN 3 HE22 GLN 3 23.918 -3.677 13.891 21 H SER 4 H SER 4 18.305 -0.503 12.819 22 HA SER 4 HA SER 4 19.901 0.295 10.517 23 HB2 SER 4 HB2 SER 4 17.128 -0.983 10.685 24 HB3 SER 4 HB3 SER 4 18.110 -0.837 9.222 25 HG SER 4 HG SER 4 19.766 -1.994 10.356 26 HA PRO 5 HA PRO 5 18.258 4.217 9.634 27 HB2 PRO 5 HB2 PRO 5 17.617 4.070 6.877 28 HB3 PRO 5 HB3 PRO 5 19.188 4.494 7.601 29 HG2 PRO 5 HG2 PRO 5 18.250 1.817 6.585 30 HG3 PRO 5 HG3 PRO 5 19.861 2.578 6.434 31 HD2 PRO 5 HD2 PRO 5 19.392 0.644 8.249 32 HD3 PRO 5 HD3 PRO 5 20.396 2.047 8.694 33 H GLY 6 H GLY 6 16.204 2.075 7.614 34 HA2 GLY 6 HA2 GLY 6 13.804 3.467 8.366 35 HA3 GLY 6 HA3 GLY 6 13.966 2.009 7.376 36 H ASP 7 H ASP 7 15.231 2.087 10.780 37 HA ASP 7 HA ASP 7 13.578 -0.243 11.297 38 HB2 ASP 7 HB2 ASP 7 15.919 0.130 12.079 39 HB3 ASP 7 HB3 ASP 7 15.212 1.099 13.390 40 H SER 8 H SER 8 13.372 3.257 12.246 41 HA SER 8 HA SER 8 11.125 2.635 14.022 42 HB2 SER 8 HB2 SER 8 12.451 4.572 14.544 43 HB3 SER 8 HB3 SER 8 12.167 5.278 12.938 44 HG SER 8 HG SER 8 10.751 5.913 14.883 45 H ARG 9 H ARG 9 11.608 3.727 10.659 46 HA ARG 9 HA ARG 9 8.866 4.078 10.053 47 HB2 ARG 9 HB2 ARG 9 11.206 4.580 8.726 48 HB3 ARG 9 HB3 ARG 9 10.633 3.177 7.804 49 HG2 ARG 9 HG2 ARG 9 8.492 4.317 7.374 50 HG3 ARG 9 HG3 ARG 9 9.006 5.687 8.358 51 HD2 ARG 9 HD2 ARG 9 10.541 4.849 5.881 52 HD3 ARG 9 HD3 ARG 9 9.225 6.030 5.871 53 HE ARG 9 HE ARG 9 10.438 7.319 7.589 54 HH11 ARG 9 HH11 ARG 9 12.485 5.509 5.282 55 HH12 ARG 9 HH12 ARG 9 13.948 6.094 6.031 56 HH21 ARG 9 HH21 ARG 9 12.232 8.234 8.259 57 HH22 ARG 9 HH22 ARG 9 13.769 7.979 7.466 58 H ARG 10 H ARG 10 10.800 1.093 9.898 59 HA ARG 10 HA ARG 10 9.042 -0.360 8.210 60 HB2 ARG 10 HB2 ARG 10 10.084 -2.404 9.028 61 HB3 ARG 10 HB3 ARG 10 11.289 -1.167 8.643 62 HG2 ARG 10 HG2 ARG 10 11.545 -0.662 10.940 63 HG3 ARG 10 HG3 ARG 10 10.319 -1.805 11.456 64 HD2 ARG 10 HD2 ARG 10 12.514 -2.797 11.793 65 HD3 ARG 10 HD3 ARG 10 11.695 -3.635 10.471 66 HE ARG 10 HE ARG 10 13.459 -1.393 9.734 67 HH11 ARG 10 HH11 ARG 10 13.077 -4.937 9.785 68 HH12 ARG 10 HH12 ARG 10 14.636 -5.208 9.060 69 HH21 ARG 10 HH21 ARG 10 15.419 -1.883 8.453 70 HH22 ARG 10 HH22 ARG 10 15.866 -3.565 8.347 71 H LEU 11 H LEU 11 8.819 -0.146 11.844 72 HA LEU 11 HA LEU 11 6.706 -2.012 11.864 73 HB2 LEU 11 HB2 LEU 11 6.203 -1.306 14.093 74 HB3 LEU 11 HB3 LEU 11 7.932 -1.407 13.845 75 HG LEU 11 HG LEU 11 7.537 1.260 13.365 76 HD11 LEU 11 HD11 LEU 11 6.000 2.215 14.974 77 HD12 LEU 11 HD12 LEU 11 5.549 0.612 15.568 78 HD13 LEU 11 HD13 LEU 11 5.084 1.114 13.934 79 HD21 LEU 11 HD21 LEU 11 8.347 1.637 15.661 80 HD22 LEU 11 HD22 LEU 11 9.196 0.289 14.900 81 HD23 LEU 11 HD23 LEU 11 7.924 -0.029 16.093 82 H SER 12 H SER 12 6.549 1.502 11.450 83 HA SER 12 HA SER 12 3.675 1.655 11.513 84 HB2 SER 12 HB2 SER 12 5.208 3.562 11.868 85 HB3 SER 12 HB3 SER 12 5.731 3.452 10.183 86 HG SER 12 HG SER 12 2.968 3.778 10.702 87 H ILE 13 H ILE 13 5.999 1.515 8.747 88 HA ILE 13 HA ILE 13 3.973 1.407 6.760 89 HB ILE 13 HB ILE 13 6.912 0.652 6.798 90 HG12 ILE 13 HG12 ILE 13 5.377 2.849 5.333 91 HG13 ILE 13 HG13 ILE 13 6.154 3.076 6.906 92 HG21 ILE 13 HG21 ILE 13 4.939 0.370 4.547 93 HG22 ILE 13 HG22 ILE 13 6.678 0.501 4.253 94 HG23 ILE 13 HG23 ILE 13 6.038 -0.841 5.194 95 HD11 ILE 13 HD11 ILE 13 7.637 3.940 5.267 96 HD12 ILE 13 HD12 ILE 13 8.355 2.417 5.838 97 HD13 ILE 13 HD13 ILE 13 7.529 2.500 4.260 98 H GLN 14 H GLN 14 5.816 -1.419 8.310 99 HA GLN 14 HA GLN 14 4.492 -3.257 6.800 100 HB2 GLN 14 HB2 GLN 14 6.603 -3.463 8.345 101 HB3 GLN 14 HB3 GLN 14 5.424 -3.954 9.590 102 HG2 GLN 14 HG2 GLN 14 4.562 -5.678 8.066 103 HG3 GLN 14 HG3 GLN 14 5.563 -5.027 6.762 104 HE21 GLN 14 HE21 GLN 14 7.046 -6.452 6.253 105 HE22 GLN 14 HE22 GLN 14 7.970 -7.455 7.344 106 H ARG 15 H ARG 15 3.420 -1.777 9.911 107 HA ARG 15 HA ARG 15 1.282 -3.566 10.392 108 HB2 ARG 15 HB2 ARG 15 1.746 -0.624 10.979 109 HB3 ARG 15 HB3 ARG 15 0.192 -1.370 11.351 110 HG2 ARG 15 HG2 ARG 15 1.101 -2.892 12.897 111 HG3 ARG 15 HG3 ARG 15 2.756 -2.662 12.326 112 HD2 ARG 15 HD2 ARG 15 2.179 -1.591 14.564 113 HD3 ARG 15 HD3 ARG 15 2.976 -0.560 13.366 114 HE ARG 15 HE ARG 15 0.031 -0.473 13.405 115 HH11 ARG 15 HH11 ARG 15 2.933 1.251 14.660 116 HH12 ARG 15 HH12 ARG 15 2.129 2.794 14.448 117 HH21 ARG 15 HH21 ARG 15 -0.838 1.519 13.159 118 HH22 ARG 15 HH22 ARG 15 0.063 2.955 13.600 119 H ALA 16 H ALA 16 1.365 -0.641 8.263 120 HA ALA 16 HA ALA 16 -1.355 -0.947 7.440 121 HB1 ALA 16 HB1 ALA 16 -0.126 1.171 7.197 122 HB2 ALA 16 HB2 ALA 16 0.995 0.409 6.039 123 HB3 ALA 16 HB3 ALA 16 -0.717 0.609 5.619 124 H ILE 17 H ILE 17 1.701 -2.320 6.262 125 HA ILE 17 HA ILE 17 0.595 -3.351 3.814 126 HB ILE 17 HB ILE 17 3.206 -3.716 5.260 127 HG12 ILE 17 HG12 ILE 17 2.347 -2.429 2.617 128 HG13 ILE 17 HG13 ILE 17 2.668 -1.573 4.122 129 HG21 ILE 17 HG21 ILE 17 2.754 -5.873 4.062 130 HG22 ILE 17 HG22 ILE 17 2.638 -4.935 2.548 131 HG23 ILE 17 HG23 ILE 17 4.153 -5.001 3.478 132 HD11 ILE 17 HD11 ILE 17 5.006 -2.508 4.034 133 HD12 ILE 17 HD12 ILE 17 4.650 -2.985 2.352 134 HD13 ILE 17 HD13 ILE 17 4.605 -1.287 2.806 135 H GLN 18 H GLN 18 0.901 -4.770 7.107 136 HA GLN 18 HA GLN 18 0.408 -7.456 6.342 137 HB2 GLN 18 HB2 GLN 18 -0.601 -5.992 8.816 138 HB3 GLN 18 HB3 GLN 18 -0.702 -7.727 8.573 139 HG2 GLN 18 HG2 GLN 18 1.810 -6.069 8.931 140 HG3 GLN 18 HG3 GLN 18 1.098 -7.219 10.048 141 HE21 GLN 18 HE21 GLN 18 0.691 -9.535 8.470 142 HE22 GLN 18 HE22 GLN 18 2.260 -10.078 7.926 143 H SER 19 H SER 19 -1.767 -4.691 6.675 144 HA SER 19 HA SER 19 -4.225 -6.136 6.301 145 HB2 SER 19 HB2 SER 19 -3.374 -3.234 6.336 146 HB3 SER 19 HB3 SER 19 -5.011 -3.698 5.864 147 HG SER 19 HG SER 19 -3.852 -4.744 8.241 148 H LEU 20 H LEU 20 -2.172 -4.146 4.117 149 HA LEU 20 HA LEU 20 -3.697 -4.352 1.773 150 HB2 LEU 20 HB2 LEU 20 -1.877 -2.784 1.976 151 HB3 LEU 20 HB3 LEU 20 -0.735 -4.061 2.350 152 HG LEU 20 HG LEU 20 -0.838 -4.930 0.047 153 HD11 LEU 20 HD11 LEU 20 -1.849 -3.663 -1.747 154 HD12 LEU 20 HD12 LEU 20 -2.472 -2.455 -0.604 155 HD13 LEU 20 HD13 LEU 20 -3.106 -4.107 -0.589 156 HD21 LEU 20 HD21 LEU 20 -0.069 -2.013 0.351 157 HD22 LEU 20 HD22 LEU 20 0.457 -3.101 -0.950 158 HD23 LEU 20 HD23 LEU 20 0.930 -3.432 0.712 159 H VAL 21 H VAL 21 -0.889 -6.375 2.749 160 HA VAL 21 HA VAL 21 -0.935 -8.075 0.473 161 HB VAL 21 HB VAL 21 0.183 -8.584 3.259 162 HG11 VAL 21 HG11 VAL 21 0.083 -10.660 1.917 163 HG12 VAL 21 HG12 VAL 21 0.832 -9.828 0.546 164 HG13 VAL 21 HG13 VAL 21 1.763 -10.115 2.030 165 HG21 VAL 21 HG21 VAL 21 1.677 -7.537 0.823 166 HG22 VAL 21 HG22 VAL 21 1.088 -6.493 2.114 167 HG23 VAL 21 HG23 VAL 21 2.284 -7.744 2.479 168 H HIS 22 H HIS 22 -2.218 -8.590 3.837 169 HA HIS 22 HA HIS 22 -3.231 -11.146 3.360 170 HB2 HIS 22 HB2 HIS 22 -3.131 -10.154 5.600 171 HB3 HIS 22 HB3 HIS 22 -4.307 -8.937 5.122 172 HD1 HIS 22 HD1 HIS 22 -4.150 -12.786 5.678 173 HD2 HIS 22 HD2 HIS 22 -6.881 -9.563 5.385 174 HE1 HIS 22 HE1 HIS 22 -6.509 -13.697 6.092 175 H ALA 23 H ALA 23 -4.951 -7.988 2.890 176 HA ALA 23 HA ALA 23 -7.337 -9.199 1.953 177 HB1 ALA 23 HB1 ALA 23 -7.171 -6.860 2.688 178 HB2 ALA 23 HB2 ALA 23 -6.158 -6.465 1.284 179 HB3 ALA 23 HB3 ALA 23 -7.848 -6.962 1.045 180 H ALA 24 H ALA 24 -4.289 -8.529 0.233 181 HA ALA 24 HA ALA 24 -5.345 -8.762 -2.405 182 HB1 ALA 24 HB1 ALA 24 -2.490 -9.531 -1.628 183 HB2 ALA 24 HB2 ALA 24 -3.080 -8.812 -3.126 184 HB3 ALA 24 HB3 ALA 24 -2.992 -7.843 -1.640 185 H GLN 25 H GLN 25 -3.874 -11.114 -0.126 186 HA GLN 25 HA GLN 25 -4.332 -13.354 -2.016 187 HB2 GLN 25 HB2 GLN 25 -2.882 -14.643 -0.555 188 HB3 GLN 25 HB3 GLN 25 -2.101 -13.202 -1.158 189 HG2 GLN 25 HG2 GLN 25 -1.899 -12.250 0.935 190 HG3 GLN 25 HG3 GLN 25 -3.373 -13.014 1.557 191 HE21 GLN 25 HE21 GLN 25 -0.118 -14.225 0.239 192 HE22 GLN 25 HE22 GLN 25 0.079 -15.325 1.574 193 H CYS 26 H CYS 26 -6.312 -11.926 0.084 194 HA CYS 26 HA CYS 26 -7.191 -14.115 1.756 195 HB2 CYS 26 HB2 CYS 26 -7.413 -11.938 2.590 196 HB3 CYS 26 HB3 CYS 26 -8.203 -11.356 1.118 197 H ARG 27 H ARG 27 -7.491 -15.766 0.351 198 HA ARG 27 HA ARG 27 -10.136 -15.870 -0.927 199 HB2 ARG 27 HB2 ARG 27 -9.203 -16.965 -2.945 200 HB3 ARG 27 HB3 ARG 27 -8.960 -15.239 -2.875 201 HG2 ARG 27 HG2 ARG 27 -6.638 -15.416 -2.701 202 HG3 ARG 27 HG3 ARG 27 -6.688 -17.032 -2.006 203 HD2 ARG 27 HD2 ARG 27 -7.501 -17.958 -4.164 204 HD3 ARG 27 HD3 ARG 27 -7.396 -16.362 -4.887 205 HE ARG 27 HE ARG 27 -5.216 -18.217 -4.154 206 HH11 ARG 27 HH11 ARG 27 -6.043 -14.967 -5.361 207 HH12 ARG 27 HH12 ARG 27 -4.490 -14.702 -6.061 208 HH21 ARG 27 HH21 ARG 27 -3.132 -17.849 -5.156 209 HH22 ARG 27 HH22 ARG 27 -2.810 -16.329 -5.905 210 H ASN 28 H ASN 28 -10.568 -17.205 1.000 211 HA ASN 28 HA ASN 28 -10.139 -19.987 0.597 212 HB2 ASN 28 HB2 ASN 28 -7.831 -19.228 1.604 213 HB3 ASN 28 HB3 ASN 28 -8.729 -18.869 3.072 214 HD21 ASN 28 HD21 ASN 28 -6.978 -21.291 1.505 215 HD22 ASN 28 HD22 ASN 28 -7.609 -22.638 2.422 216 H ALA 29 H ALA 29 -11.603 -21.113 1.992 217 HA ALA 29 HA ALA 29 -13.744 -19.640 3.160 218 HB1 ALA 29 HB1 ALA 29 -12.859 -22.538 3.567 219 HB2 ALA 29 HB2 ALA 29 -14.433 -21.867 4.025 220 HB3 ALA 29 HB3 ALA 29 -13.984 -21.951 2.312 221 H ASN 30 H ASN 30 -10.707 -20.787 4.458 222 HA ASN 30 HA ASN 30 -11.319 -20.677 7.260 223 HB2 ASN 30 HB2 ASN 30 -8.669 -20.469 5.739 224 HB3 ASN 30 HB3 ASN 30 -8.798 -20.594 7.483 225 HD21 ASN 30 HD21 ASN 30 -7.232 -22.469 6.794 226 HD22 ASN 30 HD22 ASN 30 -8.123 -23.993 6.708 227 H CYS 31 H CYS 31 -10.597 -18.191 4.864 228 HA CYS 31 HA CYS 31 -9.385 -16.392 6.853 229 HB2 CYS 31 HB2 CYS 31 -8.531 -16.527 4.465 230 HB3 CYS 31 HB3 CYS 31 -10.116 -15.874 3.958 231 H SER 32 H SER 32 -10.673 -15.437 8.194 232 HA SER 32 HA SER 32 -12.959 -13.853 7.165 233 HB2 SER 32 HB2 SER 32 -13.082 -15.579 9.670 234 HB3 SER 32 HB3 SER 32 -14.347 -14.512 9.052 235 HG SER 32 HG SER 32 -14.811 -16.562 8.457 236 H LEU 33 H LEU 33 -11.478 -12.022 7.310 237 HA LEU 33 HA LEU 33 -10.726 -11.340 10.124 238 HB2 LEU 33 HB2 LEU 33 -9.146 -11.074 7.577 239 HB3 LEU 33 HB3 LEU 33 -9.088 -9.751 8.739 240 HG LEU 33 HG LEU 33 -8.526 -11.441 10.545 241 HD11 LEU 33 HD11 LEU 33 -7.395 -13.551 9.713 242 HD12 LEU 33 HD12 LEU 33 -8.085 -13.225 8.109 243 HD13 LEU 33 HD13 LEU 33 -9.141 -13.546 9.494 244 HD21 LEU 33 HD21 LEU 33 -6.861 -9.924 9.524 245 HD22 LEU 33 HD22 LEU 33 -6.512 -11.149 8.290 246 HD23 LEU 33 HD23 LEU 33 -6.170 -11.477 10.003 247 HA PRO 34 HA PRO 34 -13.601 -8.066 9.566 248 HB2 PRO 34 HB2 PRO 34 -12.869 -6.316 11.559 249 HB3 PRO 34 HB3 PRO 34 -13.658 -7.893 11.851 250 HG2 PRO 34 HG2 PRO 34 -10.684 -7.281 11.930 251 HG3 PRO 34 HG3 PRO 34 -11.671 -8.102 13.173 252 HD2 PRO 34 HD2 PRO 34 -10.267 -9.544 11.368 253 HD3 PRO 34 HD3 PRO 34 -11.921 -10.045 11.808 254 H SER 35 H SER 35 -10.145 -6.729 9.999 255 HA SER 35 HA SER 35 -10.898 -4.396 8.506 256 HB2 SER 35 HB2 SER 35 -8.279 -4.204 8.414 257 HB3 SER 35 HB3 SER 35 -9.225 -3.804 9.787 258 HG SER 35 HG SER 35 -7.569 -5.107 10.483 259 H CYS 36 H CYS 36 -9.558 -7.594 7.560 260 HA CYS 36 HA CYS 36 -8.806 -7.163 4.998 261 HB2 CYS 36 HB2 CYS 36 -8.740 -9.226 6.404 262 HB3 CYS 36 HB3 CYS 36 -10.447 -9.413 6.166 263 H GLN 37 H GLN 37 -12.117 -7.802 6.156 264 HA GLN 37 HA GLN 37 -13.462 -7.728 3.641 265 HB2 GLN 37 HB2 GLN 37 -14.451 -6.952 6.412 266 HB3 GLN 37 HB3 GLN 37 -15.498 -7.028 4.989 267 HG2 GLN 37 HG2 GLN 37 -14.988 -9.399 4.665 268 HG3 GLN 37 HG3 GLN 37 -13.893 -9.385 6.050 269 HE21 GLN 37 HE21 GLN 37 -16.530 -10.867 5.490 270 HE22 GLN 37 HE22 GLN 37 -17.368 -10.600 7.016 271 H LYS 38 H LYS 38 -12.699 -5.047 5.894 272 HA LYS 38 HA LYS 38 -13.982 -3.003 4.310 273 HB2 LYS 38 HB2 LYS 38 -11.675 -2.683 6.276 274 HB3 LYS 38 HB3 LYS 38 -12.788 -1.431 5.752 275 HG2 LYS 38 HG2 LYS 38 -13.587 -3.863 7.397 276 HG3 LYS 38 HG3 LYS 38 -13.147 -2.281 8.051 277 HD2 LYS 38 HD2 LYS 38 -15.039 -1.240 6.923 278 HD3 LYS 38 HD3 LYS 38 -15.466 -2.756 6.132 279 HE2 LYS 38 HE2 LYS 38 -16.930 -2.359 8.033 280 HE3 LYS 38 HE3 LYS 38 -15.946 -3.807 8.293 281 HZ1 LYS 38 HZ1 LYS 38 -16.074 -2.474 10.252 282 HZ2 LYS 38 HZ2 LYS 38 -15.515 -1.143 9.514 283 HZ3 LYS 38 HZ3 LYS 38 -14.519 -2.471 9.736 284 H MET 39 H MET 39 -10.687 -4.326 4.486 285 HA MET 39 HA MET 39 -9.367 -2.507 2.758 286 HB2 MET 39 HB2 MET 39 -8.821 -5.255 3.843 287 HB3 MET 39 HB3 MET 39 -8.039 -4.833 2.327 288 HG2 MET 39 HG2 MET 39 -7.761 -3.236 4.865 289 HG3 MET 39 HG3 MET 39 -6.638 -4.445 4.287 290 HE1 MET 39 HE1 MET 39 -4.413 -2.549 4.037 291 HE2 MET 39 HE2 MET 39 -4.840 -0.918 3.508 292 HE3 MET 39 HE3 MET 39 -5.634 -1.617 4.936 293 H LYS 40 H LYS 40 -11.239 -5.494 2.048 294 HA LYS 40 HA LYS 40 -10.558 -5.765 -0.659 295 HB2 LYS 40 HB2 LYS 40 -12.904 -6.516 1.022 296 HB3 LYS 40 HB3 LYS 40 -13.236 -6.376 -0.702 297 HG2 LYS 40 HG2 LYS 40 -12.736 -8.640 -0.386 298 HG3 LYS 40 HG3 LYS 40 -11.314 -7.958 -1.142 299 HD2 LYS 40 HD2 LYS 40 -10.276 -7.810 1.162 300 HD3 LYS 40 HD3 LYS 40 -11.668 -8.698 1.794 301 HE2 LYS 40 HE2 LYS 40 -9.712 -9.688 -0.342 302 HE3 LYS 40 HE3 LYS 40 -9.654 -10.070 1.383 303 HZ1 LYS 40 HZ1 LYS 40 -11.698 -11.041 -0.521 304 HZ2 LYS 40 HZ2 LYS 40 -11.829 -11.173 1.131 305 HZ3 LYS 40 HZ3 LYS 40 -10.601 -11.879 0.367 306 H ARG 41 H ARG 41 -12.708 -3.323 0.810 307 HA ARG 41 HA ARG 41 -13.737 -2.299 -1.662 308 HB2 ARG 41 HB2 ARG 41 -14.678 -1.949 0.690 309 HB3 ARG 41 HB3 ARG 41 -13.377 -0.777 0.951 310 HG2 ARG 41 HG2 ARG 41 -14.209 0.568 -0.982 311 HG3 ARG 41 HG3 ARG 41 -15.482 -0.630 -1.237 312 HD2 ARG 41 HD2 ARG 41 -16.551 1.091 -0.038 313 HD3 ARG 41 HD3 ARG 41 -16.257 -0.182 1.144 314 HE ARG 41 HE ARG 41 -14.898 1.183 2.337 315 HH11 ARG 41 HH11 ARG 41 -15.002 2.545 -0.904 316 HH12 ARG 41 HH12 ARG 41 -14.389 4.094 -0.477 317 HH21 ARG 41 HH21 ARG 41 -14.253 3.331 2.999 318 HH22 ARG 41 HH22 ARG 41 -14.104 4.585 1.862 319 H VAL 42 H VAL 42 -11.034 -1.149 0.464 320 HA VAL 42 HA VAL 42 -10.308 0.972 -1.223 321 HB VAL 42 HB VAL 42 -9.693 0.223 1.295 322 HG11 VAL 42 HG11 VAL 42 -7.096 -0.303 -0.173 323 HG12 VAL 42 HG12 VAL 42 -7.311 -0.118 1.579 324 HG13 VAL 42 HG13 VAL 42 -8.041 -1.496 0.740 325 HG21 VAL 42 HG21 VAL 42 -8.100 2.105 1.311 326 HG22 VAL 42 HG22 VAL 42 -7.976 1.998 -0.469 327 HG23 VAL 42 HG23 VAL 42 -9.509 2.467 0.305 328 H VAL 43 H VAL 43 -9.318 -2.315 -1.151 329 HA VAL 43 HA VAL 43 -7.225 -2.079 -3.067 330 HB VAL 43 HB VAL 43 -8.949 -4.523 -2.429 331 HG11 VAL 43 HG11 VAL 43 -7.895 -4.845 -4.606 332 HG12 VAL 43 HG12 VAL 43 -6.325 -4.330 -3.943 333 HG13 VAL 43 HG13 VAL 43 -7.086 -5.842 -3.393 334 HG21 VAL 43 HG21 VAL 43 -6.108 -3.758 -1.552 335 HG22 VAL 43 HG22 VAL 43 -7.517 -3.585 -0.524 336 HG23 VAL 43 HG23 VAL 43 -7.044 -5.200 -1.037 337 H GLN 44 H GLN 44 -10.745 -2.327 -3.513 338 HA GLN 44 HA GLN 44 -10.636 -2.671 -6.366 339 HB2 GLN 44 HB2 GLN 44 -12.818 -1.429 -4.663 340 HB3 GLN 44 HB3 GLN 44 -12.978 -1.842 -6.357 341 HG2 GLN 44 HG2 GLN 44 -13.076 -4.118 -5.997 342 HG3 GLN 44 HG3 GLN 44 -12.180 -4.051 -4.485 343 HE21 GLN 44 HE21 GLN 44 -13.596 -4.840 -2.970 344 HE22 GLN 44 HE22 GLN 44 -15.178 -4.114 -2.642 345 H HIS 45 H HIS 45 -10.113 0.190 -4.274 346 HA HIS 45 HA HIS 45 -10.855 2.140 -6.252 347 HB2 HIS 45 HB2 HIS 45 -10.581 3.049 -4.088 348 HB3 HIS 45 HB3 HIS 45 -9.028 2.271 -3.836 349 HD1 HIS 45 HD1 HIS 45 -10.446 5.306 -5.704 350 HD2 HIS 45 HD2 HIS 45 -6.811 3.328 -4.857 351 HE1 HIS 45 HE1 HIS 45 -8.574 6.777 -6.584 352 H THR 46 H THR 46 -7.530 0.751 -5.422 353 HA THR 46 HA THR 46 -6.351 2.165 -7.568 354 HB THR 46 HB THR 46 -4.930 1.287 -5.840 355 HG1 THR 46 HG1 THR 46 -4.187 1.420 -8.061 356 HG21 THR 46 HG21 THR 46 -6.057 -0.779 -5.180 357 HG22 THR 46 HG22 THR 46 -4.395 -1.129 -5.669 358 HG23 THR 46 HG23 THR 46 -5.740 -1.497 -6.766 359 H LYS 47 H LYS 47 -8.103 -0.843 -7.587 360 HA LYS 47 HA LYS 47 -7.296 -2.013 -10.003 361 HB2 LYS 47 HB2 LYS 47 -8.795 -2.944 -8.181 362 HB3 LYS 47 HB3 LYS 47 -10.127 -2.008 -8.885 363 HG2 LYS 47 HG2 LYS 47 -9.851 -3.200 -11.030 364 HG3 LYS 47 HG3 LYS 47 -8.545 -4.158 -10.333 365 HD2 LYS 47 HD2 LYS 47 -11.457 -4.077 -9.408 366 HD3 LYS 47 HD3 LYS 47 -10.710 -5.370 -10.334 367 HE2 LYS 47 HE2 LYS 47 -10.079 -4.568 -7.457 368 HE3 LYS 47 HE3 LYS 47 -10.952 -5.998 -8.010 369 HZ1 LYS 47 HZ1 LYS 47 -8.706 -6.586 -7.499 370 HZ2 LYS 47 HZ2 LYS 47 -8.092 -5.411 -8.436 371 HZ3 LYS 47 HZ3 LYS 47 -8.868 -6.655 -9.161 372 H GLY 48 H GLY 48 -9.641 0.605 -9.447 373 HA2 GLY 48 HA2 GLY 48 -9.851 1.036 -12.387 374 HA3 GLY 48 HA3 GLY 48 -11.230 1.172 -11.293 375 H CYS 49 H CYS 49 -7.973 2.251 -10.301 376 HA CYS 49 HA CYS 49 -9.078 4.922 -9.876 377 HB2 CYS 49 HB2 CYS 49 -7.525 4.033 -8.241 378 HB3 CYS 49 HB3 CYS 49 -6.225 3.984 -9.462 379 H LYS 50 H LYS 50 -9.677 5.526 -11.938 380 HA LYS 50 HA LYS 50 -7.963 5.716 -14.212 381 HB2 LYS 50 HB2 LYS 50 -10.494 6.065 -14.174 382 HB3 LYS 50 HB3 LYS 50 -10.212 7.620 -13.395 383 HG2 LYS 50 HG2 LYS 50 -10.471 8.240 -15.601 384 HG3 LYS 50 HG3 LYS 50 -8.721 8.169 -15.469 385 HD2 LYS 50 HD2 LYS 50 -8.926 5.744 -16.383 386 HD3 LYS 50 HD3 LYS 50 -10.619 6.159 -16.734 387 HE2 LYS 50 HE2 LYS 50 -9.711 8.212 -17.983 388 HE3 LYS 50 HE3 LYS 50 -8.100 7.511 -17.803 389 HZ1 LYS 50 HZ1 LYS 50 -8.880 5.582 -19.031 390 HZ2 LYS 50 HZ2 LYS 50 -9.088 6.953 -19.912 391 HZ3 LYS 50 HZ3 LYS 50 -10.381 6.237 -19.195 392 H ARG 51 H ARG 51 -8.560 7.885 -11.483 393 HA ARG 51 HA ARG 51 -7.116 10.117 -12.174 394 HB2 ARG 51 HB2 ARG 51 -7.365 8.961 -9.368 395 HB3 ARG 51 HB3 ARG 51 -6.808 10.576 -9.768 396 HG2 ARG 51 HG2 ARG 51 -9.054 11.007 -10.885 397 HG3 ARG 51 HG3 ARG 51 -9.586 9.450 -10.212 398 HD2 ARG 51 HD2 ARG 51 -8.930 10.303 -7.921 399 HD3 ARG 51 HD3 ARG 51 -8.562 11.862 -8.649 400 HE ARG 51 HE ARG 51 -10.770 12.400 -8.703 401 HH11 ARG 51 HH11 ARG 51 -10.571 8.941 -8.015 402 HH12 ARG 51 HH12 ARG 51 -12.289 8.750 -7.770 403 HH21 ARG 51 HH21 ARG 51 -12.893 12.236 -8.182 404 HH22 ARG 51 HH22 ARG 51 -13.670 10.778 -7.714 405 H LYS 52 H LYS 52 -5.652 6.981 -11.405 406 HA LYS 52 HA LYS 52 -3.141 7.682 -10.488 407 HB2 LYS 52 HB2 LYS 52 -3.831 5.366 -10.782 408 HB3 LYS 52 HB3 LYS 52 -4.143 5.611 -12.499 409 HG2 LYS 52 HG2 LYS 52 -2.150 4.288 -12.225 410 HG3 LYS 52 HG3 LYS 52 -1.760 5.819 -13.002 411 HD2 LYS 52 HD2 LYS 52 -1.028 6.666 -10.705 412 HD3 LYS 52 HD3 LYS 52 -1.392 5.034 -10.103 413 HE2 LYS 52 HE2 LYS 52 0.916 4.948 -10.490 414 HE3 LYS 52 HE3 LYS 52 0.243 4.198 -11.941 415 HZ1 LYS 52 HZ1 LYS 52 1.952 5.674 -12.512 416 HZ2 LYS 52 HZ2 LYS 52 1.381 6.918 -11.657 417 HZ3 LYS 52 HZ3 LYS 52 0.594 6.444 -13.026 418 H THR 53 H THR 53 -4.456 7.849 -13.774 419 HA THR 53 HA THR 53 -1.921 8.799 -14.914 420 HB THR 53 HB THR 53 -3.141 8.595 -17.024 421 HG1 THR 53 HG1 THR 53 -5.382 7.773 -15.421 422 HG21 THR 53 HG21 THR 53 -3.729 6.113 -15.340 423 HG22 THR 53 HG22 THR 53 -2.103 6.565 -15.877 424 HG23 THR 53 HG23 THR 53 -3.355 6.205 -17.070 425 H ASN 54 H ASN 54 -4.883 10.225 -13.707 426 HA ASN 54 HA ASN 54 -4.537 12.705 -15.221 427 HB2 ASN 54 HB2 ASN 54 -6.442 11.990 -12.966 428 HB3 ASN 54 HB3 ASN 54 -6.465 13.494 -13.861 429 HD21 ASN 54 HD21 ASN 54 -6.789 13.353 -16.269 430 HD22 ASN 54 HD22 ASN 54 -7.968 12.179 -16.811 431 H GLY 55 H GLY 55 -3.348 11.493 -12.185 432 HA2 GLY 55 HA2 GLY 55 -1.850 13.810 -11.596 433 HA3 GLY 55 HA3 GLY 55 -3.343 13.920 -10.695 434 H GLY 56 H GLY 56 -3.796 11.143 -10.213 435 HA2 GLY 56 HA2 GLY 56 -3.018 9.342 -8.977 436 HA3 GLY 56 HA3 GLY 56 -1.465 10.161 -8.715 437 H CYS 57 H CYS 57 -4.468 9.337 -7.264 438 HA CYS 57 HA CYS 57 -4.583 11.619 -5.430 439 HB2 CYS 57 HB2 CYS 57 -6.468 10.290 -4.446 440 HB3 CYS 57 HB3 CYS 57 -6.640 10.686 -6.148 441 HA PRO 58 HA PRO 58 -1.734 10.039 -2.483 442 HB2 PRO 58 HB2 PRO 58 -3.023 9.743 -0.037 443 HB3 PRO 58 HB3 PRO 58 -2.533 11.316 -0.736 444 HG2 PRO 58 HG2 PRO 58 -5.217 9.917 -1.050 445 HG3 PRO 58 HG3 PRO 58 -4.907 11.593 -0.439 446 HD2 PRO 58 HD2 PRO 58 -5.544 11.281 -2.990 447 HD3 PRO 58 HD3 PRO 58 -4.088 12.251 -2.651 448 H ILE 59 H ILE 59 -4.808 8.181 -2.468 449 HA ILE 59 HA ILE 59 -3.905 5.895 -1.165 450 HB ILE 59 HB ILE 59 -5.809 5.905 -3.528 451 HG12 ILE 59 HG12 ILE 59 -6.647 6.172 -0.619 452 HG13 ILE 59 HG13 ILE 59 -6.449 7.575 -1.655 453 HG21 ILE 59 HG21 ILE 59 -5.502 4.032 -1.128 454 HG22 ILE 59 HG22 ILE 59 -6.738 3.858 -2.377 455 HG23 ILE 59 HG23 ILE 59 -5.048 3.652 -2.797 456 HD11 ILE 59 HD11 ILE 59 -8.799 6.830 -1.650 457 HD12 ILE 59 HD12 ILE 59 -8.089 6.765 -3.264 458 HD13 ILE 59 HD13 ILE 59 -8.345 5.280 -2.323 459 H CYS 60 H CYS 60 -4.000 6.339 -4.754 460 HA CYS 60 HA CYS 60 -2.411 3.956 -5.142 461 HB2 CYS 60 HB2 CYS 60 -2.350 4.725 -7.535 462 HB3 CYS 60 HB3 CYS 60 -3.917 4.448 -6.808 463 H LYS 61 H LYS 61 -1.614 7.354 -4.960 464 HA LYS 61 HA LYS 61 1.119 7.202 -5.919 465 HB2 LYS 61 HB2 LYS 61 -0.211 9.076 -3.902 466 HB3 LYS 61 HB3 LYS 61 1.485 9.202 -4.356 467 HG2 LYS 61 HG2 LYS 61 0.861 9.511 -6.726 468 HG3 LYS 61 HG3 LYS 61 -0.841 9.514 -6.282 469 HD2 LYS 61 HD2 LYS 61 1.300 11.440 -5.316 470 HD3 LYS 61 HD3 LYS 61 0.076 11.781 -6.541 471 HE2 LYS 61 HE2 LYS 61 -1.689 11.611 -4.818 472 HE3 LYS 61 HE3 LYS 61 -0.445 11.287 -3.590 473 HZ1 LYS 61 HZ1 LYS 61 -1.069 13.602 -3.591 474 HZ2 LYS 61 HZ2 LYS 61 -0.643 13.787 -5.169 475 HZ3 LYS 61 HZ3 LYS 61 0.491 13.440 -4.014 476 H GLN 62 H GLN 62 -0.002 7.275 -2.512 477 HA GLN 62 HA GLN 62 2.529 6.552 -1.449 478 HB2 GLN 62 HB2 GLN 62 -0.229 6.084 -0.260 479 HB3 GLN 62 HB3 GLN 62 1.292 5.999 0.609 480 HG2 GLN 62 HG2 GLN 62 0.113 8.515 -0.661 481 HG3 GLN 62 HG3 GLN 62 0.122 8.118 1.051 482 HE21 GLN 62 HE21 GLN 62 1.204 10.516 -0.290 483 HE22 GLN 62 HE22 GLN 62 2.885 10.600 0.154 484 H LEU 63 H LEU 63 -0.041 4.459 -2.795 485 HA LEU 63 HA LEU 63 0.798 2.054 -1.622 486 HB2 LEU 63 HB2 LEU 63 -1.315 2.520 -2.934 487 HB3 LEU 63 HB3 LEU 63 -0.374 2.391 -4.412 488 HG LEU 63 HG LEU 63 0.066 0.016 -3.928 489 HD11 LEU 63 HD11 LEU 63 -1.132 -1.089 -2.031 490 HD12 LEU 63 HD12 LEU 63 -1.591 0.527 -1.419 491 HD13 LEU 63 HD13 LEU 63 0.116 0.011 -1.461 492 HD21 LEU 63 HD21 LEU 63 -2.206 -0.793 -4.236 493 HD22 LEU 63 HD22 LEU 63 -2.070 0.756 -5.071 494 HD23 LEU 63 HD23 LEU 63 -2.890 0.687 -3.514 495 H ILE 64 H ILE 64 2.342 3.887 -4.166 496 HA ILE 64 HA ILE 64 3.921 1.774 -5.347 497 HB ILE 64 HB ILE 64 4.145 4.806 -5.231 498 HG12 ILE 64 HG12 ILE 64 3.447 3.006 -7.599 499 HG13 ILE 64 HG13 ILE 64 2.216 3.621 -6.506 500 HG21 ILE 64 HG21 ILE 64 6.416 3.892 -5.632 501 HG22 ILE 64 HG22 ILE 64 5.767 3.038 -7.063 502 HG23 ILE 64 HG23 ILE 64 5.783 4.811 -6.976 503 HD11 ILE 64 HD11 ILE 64 2.437 4.986 -8.543 504 HD12 ILE 64 HD12 ILE 64 2.712 5.902 -7.047 505 HD13 ILE 64 HD13 ILE 64 4.077 5.438 -8.084 506 H ALA 65 H ALA 65 4.326 3.963 -2.566 507 HA ALA 65 HA ALA 65 7.101 3.443 -2.063 508 HB1 ALA 65 HB1 ALA 65 5.700 5.358 -1.103 509 HB2 ALA 65 HB2 ALA 65 4.920 4.189 -0.036 510 HB3 ALA 65 HB3 ALA 65 6.663 4.457 0.097 511 H LEU 66 H LEU 66 4.047 2.087 -0.920 512 HA LEU 66 HA LEU 66 5.160 0.234 0.974 513 HB2 LEU 66 HB2 LEU 66 2.466 0.188 -0.449 514 HB3 LEU 66 HB3 LEU 66 2.902 -0.787 0.954 515 HG LEU 66 HG LEU 66 2.725 2.252 0.902 516 HD11 LEU 66 HD11 LEU 66 0.765 1.901 2.349 517 HD12 LEU 66 HD12 LEU 66 0.928 0.146 2.182 518 HD13 LEU 66 HD13 LEU 66 0.532 1.143 0.770 519 HD21 LEU 66 HD21 LEU 66 3.088 2.181 3.303 520 HD22 LEU 66 HD22 LEU 66 4.440 1.396 2.555 521 HD23 LEU 66 HD23 LEU 66 3.132 0.434 3.304 522 H ALA 67 H ALA 67 4.294 -0.044 -2.478 523 HA ALA 67 HA ALA 67 4.612 -2.792 -2.770 524 HB1 ALA 67 HB1 ALA 67 3.740 -1.195 -4.493 525 HB2 ALA 67 HB2 ALA 67 5.396 -0.660 -4.816 526 HB3 ALA 67 HB3 ALA 67 4.937 -2.343 -5.132 527 H ALA 68 H ALA 68 7.128 -0.294 -3.414 528 HA ALA 68 HA ALA 68 9.252 -2.098 -3.876 529 HB1 ALA 68 HB1 ALA 68 9.314 0.299 -4.478 530 HB2 ALA 68 HB2 ALA 68 9.387 0.739 -2.752 531 HB3 ALA 68 HB3 ALA 68 10.714 -0.173 -3.507 532 H TYR 69 H TYR 69 8.126 -0.552 -0.853 533 HA TYR 69 HA TYR 69 10.215 -1.468 0.811 534 HB2 TYR 69 HB2 TYR 69 8.778 0.272 1.605 535 HB3 TYR 69 HB3 TYR 69 7.333 -0.696 1.376 536 HD1 TYR 69 HD1 TYR 69 9.798 0.290 3.871 537 HD2 TYR 69 HD2 TYR 69 6.936 -2.742 2.775 538 HE1 TYR 69 HE1 TYR 69 10.002 -0.778 6.113 539 HE2 TYR 69 HE2 TYR 69 7.068 -3.734 4.950 540 HH TYR 69 HH TYR 69 8.246 -3.741 7.000 541 H HIS 70 H HIS 70 6.961 -2.935 0.141 542 HA HIS 70 HA HIS 70 7.372 -5.222 1.737 543 HB2 HIS 70 HB2 HIS 70 5.217 -4.820 1.366 544 HB3 HIS 70 HB3 HIS 70 5.423 -4.370 -0.334 545 HD1 HIS 70 HD1 HIS 70 4.251 -7.301 1.686 546 HD2 HIS 70 HD2 HIS 70 5.812 -6.385 -2.106 547 HE1 HIS 70 HE1 HIS 70 3.607 -9.225 0.122 548 H ALA 71 H ALA 71 7.973 -4.673 -1.785 549 HA ALA 71 HA ALA 71 8.793 -7.261 -2.363 550 HB1 ALA 71 HB1 ALA 71 8.346 -5.509 -4.040 551 HB2 ALA 71 HB2 ALA 71 9.832 -4.660 -3.547 552 HB3 ALA 71 HB3 ALA 71 9.924 -6.279 -4.285 553 H LYS 72 H LYS 72 10.517 -4.916 -0.445 554 HA LYS 72 HA LYS 72 13.153 -5.910 -1.019 555 HB2 LYS 72 HB2 LYS 72 13.886 -4.423 0.498 556 HB3 LYS 72 HB3 LYS 72 12.265 -3.758 0.367 557 HG2 LYS 72 HG2 LYS 72 11.666 -5.214 2.395 558 HG3 LYS 72 HG3 LYS 72 13.398 -5.609 2.475 559 HD2 LYS 72 HD2 LYS 72 12.939 -3.981 4.106 560 HD3 LYS 72 HD3 LYS 72 13.940 -3.248 2.828 561 HE2 LYS 72 HE2 LYS 72 11.838 -2.222 1.884 562 HE3 LYS 72 HE3 LYS 72 10.933 -2.945 3.225 563 HZ1 LYS 72 HZ1 LYS 72 12.432 -1.703 4.734 564 HZ2 LYS 72 HZ2 LYS 72 11.445 -0.749 3.828 565 HZ3 LYS 72 HZ3 LYS 72 13.050 -0.906 3.450 566 H HIS 73 H HIS 73 10.448 -7.142 0.889 567 HA HIS 73 HA HIS 73 12.158 -9.317 1.985 568 HB2 HIS 73 HB2 HIS 73 9.376 -8.483 2.824 569 HB3 HIS 73 HB3 HIS 73 10.312 -9.798 3.513 570 HD1 HIS 73 HD1 HIS 73 9.364 -7.719 5.515 571 HD2 HIS 73 HD2 HIS 73 13.005 -7.520 3.429 572 HE1 HIS 73 HE1 HIS 73 10.777 -5.855 6.642 573 H CYS 74 H CYS 74 9.096 -8.592 0.247 574 HA CYS 74 HA CYS 74 8.363 -11.362 -0.191 575 HB2 CYS 74 HB2 CYS 74 6.810 -9.284 0.133 576 HB3 CYS 74 HB3 CYS 74 7.263 -8.895 -1.525 577 H GLN 75 H GLN 75 9.678 -12.475 -1.562 578 HA GLN 75 HA GLN 75 10.005 -11.418 -4.292 579 HB2 GLN 75 HB2 GLN 75 12.315 -12.399 -2.542 580 HB3 GLN 75 HB3 GLN 75 12.408 -12.154 -4.294 581 HG2 GLN 75 HG2 GLN 75 11.986 -9.742 -4.000 582 HG3 GLN 75 HG3 GLN 75 11.763 -9.975 -2.261 583 HE21 GLN 75 HE21 GLN 75 13.493 -9.192 -1.120 584 HE22 GLN 75 HE22 GLN 75 15.140 -9.589 -1.507 585 H GLU 76 H GLU 76 8.320 -12.956 -4.787 586 HA GLU 76 HA GLU 76 9.223 -15.772 -4.673 587 HB2 GLU 76 HB2 GLU 76 6.740 -16.320 -4.296 588 HB3 GLU 76 HB3 GLU 76 7.728 -15.858 -2.901 589 HG2 GLU 76 HG2 GLU 76 6.762 -13.598 -2.935 590 HG3 GLU 76 HG3 GLU 76 5.846 -13.995 -4.386 591 H ASN 77 H ASN 77 7.755 -17.069 -6.216 592 HA ASN 77 HA ASN 77 8.051 -15.946 -8.815 593 HB2 ASN 77 HB2 ASN 77 8.181 -18.353 -8.281 594 HB3 ASN 77 HB3 ASN 77 6.465 -18.371 -7.887 595 HD21 ASN 77 HD21 ASN 77 8.670 -19.072 -10.437 596 HD22 ASN 77 HD22 ASN 77 7.474 -18.919 -11.708 597 H LYS 78 H LYS 78 5.173 -16.195 -6.664 598 HA LYS 78 HA LYS 78 3.745 -14.331 -8.492 599 HB2 LYS 78 HB2 LYS 78 2.595 -16.790 -7.140 600 HB3 LYS 78 HB3 LYS 78 1.617 -15.534 -7.885 601 HG2 LYS 78 HG2 LYS 78 3.676 -17.185 -9.380 602 HG3 LYS 78 HG3 LYS 78 1.976 -17.583 -9.301 603 HD2 LYS 78 HD2 LYS 78 1.327 -15.550 -10.413 604 HD3 LYS 78 HD3 LYS 78 2.963 -14.909 -10.400 605 HE2 LYS 78 HE2 LYS 78 2.210 -17.493 -11.827 606 HE3 LYS 78 HE3 LYS 78 2.177 -15.897 -12.596 607 HZ1 LYS 78 HZ1 LYS 78 4.262 -16.921 -13.055 608 HZ2 LYS 78 HZ2 LYS 78 4.584 -17.189 -11.462 609 HZ3 LYS 78 HZ3 LYS 78 4.542 -15.671 -12.068 610 H CYS 79 H CYS 79 4.754 -12.815 -7.083 611 HA CYS 79 HA CYS 79 4.293 -12.442 -4.401 612 HB2 CYS 79 HB2 CYS 79 4.794 -10.666 -6.741 613 HB3 CYS 79 HB3 CYS 79 4.013 -9.881 -5.419 614 HA PRO 80 HA PRO 80 -0.113 -12.130 -4.147 615 HB2 PRO 80 HB2 PRO 80 -0.375 -10.928 -1.635 616 HB3 PRO 80 HB3 PRO 80 -0.079 -12.654 -1.957 617 HG2 PRO 80 HG2 PRO 80 1.955 -10.505 -1.321 618 HG3 PRO 80 HG3 PRO 80 1.827 -12.158 -0.625 619 HD2 PRO 80 HD2 PRO 80 3.564 -11.588 -2.603 620 HD3 PRO 80 HD3 PRO 80 2.670 -13.137 -2.623 621 H VAL 81 H VAL 81 1.740 -9.068 -3.414 622 HA VAL 81 HA VAL 81 -0.671 -7.515 -3.842 623 HB VAL 81 HB VAL 81 2.197 -6.750 -3.163 624 HG11 VAL 81 HG11 VAL 81 1.185 -4.905 -4.445 625 HG12 VAL 81 HG12 VAL 81 -0.265 -4.955 -3.408 626 HG13 VAL 81 HG13 VAL 81 1.319 -4.492 -2.741 627 HG21 VAL 81 HG21 VAL 81 -0.384 -6.787 -1.565 628 HG22 VAL 81 HG22 VAL 81 1.019 -7.862 -1.362 629 HG23 VAL 81 HG23 VAL 81 1.179 -6.139 -1.015 630 HA PRO 82 HA PRO 82 0.104 -7.606 -8.249 631 HB2 PRO 82 HB2 PRO 82 -1.665 -5.601 -9.064 632 HB3 PRO 82 HB3 PRO 82 -2.081 -7.310 -8.737 633 HG2 PRO 82 HG2 PRO 82 -2.345 -4.904 -6.937 634 HG3 PRO 82 HG3 PRO 82 -3.499 -6.255 -7.195 635 HD2 PRO 82 HD2 PRO 82 -1.852 -6.131 -5.029 636 HD3 PRO 82 HD3 PRO 82 -2.255 -7.696 -5.806 637 H PHE 83 H PHE 83 0.682 -4.789 -6.277 638 HA PHE 83 HA PHE 83 1.975 -3.229 -8.424 639 HB2 PHE 83 HB2 PHE 83 1.688 -2.825 -5.413 640 HB3 PHE 83 HB3 PHE 83 2.861 -1.952 -6.382 641 HD1 PHE 83 HD1 PHE 83 -0.689 -2.715 -7.372 642 HD2 PHE 83 HD2 PHE 83 2.195 0.291 -6.179 643 HE1 PHE 83 HE1 PHE 83 -2.266 -0.944 -7.966 644 HE2 PHE 83 HE2 PHE 83 0.580 2.060 -6.794 645 HZ PHE 83 HZ PHE 83 -1.654 1.480 -7.667 646 H CYS 84 H CYS 84 3.051 -5.021 -5.391 647 HA CYS 84 HA CYS 84 5.784 -4.671 -5.938 648 HB2 CYS 84 HB2 CYS 84 6.209 -6.173 -4.254 649 HB3 CYS 84 HB3 CYS 84 4.725 -5.334 -3.747 650 H LEU 85 H LEU 85 3.521 -7.018 -7.057 651 HA LEU 85 HA LEU 85 5.143 -8.972 -8.180 652 HB2 LEU 85 HB2 LEU 85 2.718 -9.107 -7.943 653 HB3 LEU 85 HB3 LEU 85 2.494 -7.816 -9.129 654 HG LEU 85 HG LEU 85 3.301 -9.235 -10.908 655 HD11 LEU 85 HD11 LEU 85 3.701 -11.675 -10.547 656 HD12 LEU 85 HD12 LEU 85 3.553 -11.431 -8.792 657 HD13 LEU 85 HD13 LEU 85 4.902 -10.708 -9.687 658 HD21 LEU 85 HD21 LEU 85 0.911 -9.255 -10.334 659 HD22 LEU 85 HD22 LEU 85 1.189 -10.614 -9.218 660 HD23 LEU 85 HD23 LEU 85 1.431 -10.834 -10.961 661 H ASN 86 H ASN 86 4.720 -5.651 -9.267 662 HA ASN 86 HA ASN 86 5.793 -6.065 -11.969 663 HB2 ASN 86 HB2 ASN 86 4.427 -4.065 -11.588 664 HB3 ASN 86 HB3 ASN 86 5.427 -3.570 -10.234 665 HD21 ASN 86 HD21 ASN 86 5.482 -3.939 -13.800 666 HD22 ASN 86 HD22 ASN 86 6.768 -2.768 -14.037 667 H ILE 87 H ILE 87 7.014 -4.697 -8.877 668 HA ILE 87 HA ILE 87 9.686 -4.275 -9.669 669 HB ILE 87 HB ILE 87 8.516 -4.818 -6.890 670 HG12 ILE 87 HG12 ILE 87 9.235 -2.264 -6.729 671 HG13 ILE 87 HG13 ILE 87 9.087 -2.293 -8.478 672 HG21 ILE 87 HG21 ILE 87 10.627 -3.838 -6.011 673 HG22 ILE 87 HG22 ILE 87 10.880 -5.376 -6.815 674 HG23 ILE 87 HG23 ILE 87 11.305 -3.854 -7.653 675 HD11 ILE 87 HD11 ILE 87 6.935 -2.909 -6.416 676 HD12 ILE 87 HD12 ILE 87 7.068 -1.443 -7.391 677 HD13 ILE 87 HD13 ILE 87 6.680 -2.979 -8.180 678 H LYS 88 H LYS 88 8.249 -7.185 -8.067 679 HA LYS 88 HA LYS 88 10.686 -8.604 -7.962 680 HB2 LYS 88 HB2 LYS 88 8.233 -9.105 -7.019 681 HB3 LYS 88 HB3 LYS 88 8.111 -10.105 -8.457 682 HG2 LYS 88 HG2 LYS 88 10.357 -10.282 -6.386 683 HG3 LYS 88 HG3 LYS 88 8.887 -11.256 -6.318 684 HD2 LYS 88 HD2 LYS 88 9.437 -12.434 -8.343 685 HD3 LYS 88 HD3 LYS 88 10.757 -11.317 -8.690 686 HE2 LYS 88 HE2 LYS 88 11.903 -12.041 -6.594 687 HE3 LYS 88 HE3 LYS 88 10.694 -13.341 -6.457 688 HZ1 LYS 88 HZ1 LYS 88 11.481 -14.279 -8.463 689 HZ2 LYS 88 HZ2 LYS 88 12.812 -13.933 -7.593 690 HZ3 LYS 88 HZ3 LYS 88 12.409 -12.964 -8.847 691 H GLN 89 H GLN 89 8.179 -8.659 -10.558 692 HA GLN 89 HA GLN 89 9.719 -10.356 -12.288 693 HB2 GLN 89 HB2 GLN 89 7.391 -8.476 -12.786 694 HB3 GLN 89 HB3 GLN 89 8.069 -9.556 -14.019 695 HG2 GLN 89 HG2 GLN 89 7.600 -11.522 -12.651 696 HG3 GLN 89 HG3 GLN 89 6.919 -10.518 -11.366 697 HE21 GLN 89 HE21 GLN 89 5.089 -9.057 -12.067 698 HE22 GLN 89 HE22 GLN 89 3.954 -9.666 -13.286 699 H LYS 90 H LYS 90 10.498 -7.229 -11.379 700 HA LYS 90 HA LYS 90 12.009 -6.742 -13.865 701 HB2 LYS 90 HB2 LYS 90 10.603 -4.709 -12.088 702 HB3 LYS 90 HB3 LYS 90 11.767 -4.291 -13.341 703 HG2 LYS 90 HG2 LYS 90 9.148 -5.751 -13.876 704 HG3 LYS 90 HG3 LYS 90 9.438 -4.028 -14.093 705 HD2 LYS 90 HD2 LYS 90 11.264 -4.596 -15.744 706 HD3 LYS 90 HD3 LYS 90 10.854 -6.306 -15.570 707 HE2 LYS 90 HE2 LYS 90 9.801 -5.513 -17.548 708 HE3 LYS 90 HE3 LYS 90 8.550 -5.846 -16.346 709 HZ1 LYS 90 HZ1 LYS 90 7.896 -3.769 -16.515 710 HZ2 LYS 90 HZ2 LYS 90 8.988 -3.493 -17.713 711 HZ3 LYS 90 HZ3 LYS 90 9.391 -3.153 -16.157 712 H GLY 91 H GLY 91 12.443 -8.122 -11.187 713 HA2 GLY 91 HA2 GLY 91 14.221 -6.894 -9.497 714 HA3 GLY 91 HA3 GLY 91 14.160 -8.616 -9.831 715 H THR 92 H THR 92 15.684 -5.592 -10.808 716 HA THR 92 HA THR 92 17.993 -7.094 -11.907 717 HB THR 92 HB THR 92 18.103 -5.259 -13.705 718 HG1 THR 92 HG1 THR 92 15.336 -5.110 -13.046 719 HG21 THR 92 HG21 THR 92 16.546 -6.447 -15.231 720 HG22 THR 92 HG22 THR 92 15.892 -7.339 -13.844 721 HG23 THR 92 HG23 THR 92 17.585 -7.545 -14.307 722 H ILE 93 H ILE 93 17.028 -3.684 -11.356 723 HA ILE 93 HA ILE 93 19.644 -3.295 -9.934 724 HB ILE 93 HB ILE 93 19.509 -0.987 -10.711 725 HG12 ILE 93 HG12 ILE 93 17.200 -1.835 -12.521 726 HG13 ILE 93 HG13 ILE 93 17.008 -0.874 -11.055 727 HG21 ILE 93 HG21 ILE 93 20.786 -2.753 -11.928 728 HG22 ILE 93 HG22 ILE 93 19.385 -3.034 -12.991 729 HG23 ILE 93 HG23 ILE 93 20.237 -1.477 -12.996 730 HD11 ILE 93 HD11 ILE 93 17.026 0.591 -12.973 731 HD12 ILE 93 HD12 ILE 93 18.478 0.890 -11.999 732 HD13 ILE 93 HD13 ILE 93 18.590 -0.032 -13.508 733 H GLU 94 H GLU 94 16.225 -2.973 -9.592 734 HA GLU 94 HA GLU 94 16.327 -1.001 -7.457 735 HB2 GLU 94 HB2 GLU 94 14.095 -2.927 -8.254 736 HB3 GLU 94 HB3 GLU 94 13.936 -1.638 -7.062 737 HG2 GLU 94 HG2 GLU 94 14.586 -1.283 -10.023 738 HG3 GLU 94 HG3 GLU 94 13.054 -0.918 -9.229 739 H GLY 95 H GLY 95 15.478 -1.516 -5.135 740 HA2 GLY 95 HA2 GLY 95 16.365 -4.236 -4.253 741 HA3 GLY 95 HA3 GLY 95 17.116 -2.797 -3.568 742 H ARG 96 H ARG 96 15.484 -1.165 -2.583 743 HA ARG 96 HA ARG 96 13.148 -2.531 -1.358 744 HB2 ARG 96 HB2 ARG 96 13.815 -1.614 0.776 745 HB3 ARG 96 HB3 ARG 96 15.175 -2.547 0.139 746 HG2 ARG 96 HG2 ARG 96 16.130 -0.381 -0.731 747 HG3 ARG 96 HG3 ARG 96 14.828 0.478 0.113 748 HD2 ARG 96 HD2 ARG 96 15.694 -0.160 2.246 749 HD3 ARG 96 HD3 ARG 96 16.839 -1.284 1.502 750 HE ARG 96 HE ARG 96 16.824 1.680 1.297 751 HH11 ARG 96 HH11 ARG 96 18.719 -1.307 0.818 752 HH12 ARG 96 HH12 ARG 96 20.007 -0.488 0.003 753 HH21 ARG 96 HH21 ARG 96 18.547 2.727 0.318 754 HH22 ARG 96 HH22 ARG 96 19.896 1.866 -0.349 755 H GLY 97 H GLY 97 14.335 0.250 -2.987 756 HA2 GLY 97 HA2 GLY 97 13.680 2.426 -3.194 757 HA3 GLY 97 HA3 GLY 97 12.168 1.611 -3.598 758 H ASN 98 H ASN 98 13.956 2.319 -0.552 759 HA ASN 98 HA ASN 98 11.407 2.974 0.768 760 HB2 ASN 98 HB2 ASN 98 12.389 2.528 2.788 761 HB3 ASN 98 HB3 ASN 98 13.132 1.346 1.717 762 HD21 ASN 98 HD21 ASN 98 13.764 3.464 4.206 763 HD22 ASN 98 HD22 ASN 98 15.469 3.778 3.852 764 H GLU 99 H GLU 99 13.097 4.976 -1.030 765 HA GLU 99 HA GLU 99 13.537 7.133 0.909 766 HB2 GLU 99 HB2 GLU 99 14.312 8.407 -0.963 767 HB3 GLU 99 HB3 GLU 99 15.147 6.868 -0.876 768 HG2 GLU 99 HG2 GLU 99 14.012 5.977 -2.773 769 HG3 GLU 99 HG3 GLU 99 12.794 7.247 -2.743 770 H PHE 100 H PHE 100 10.867 6.349 1.090 771 HA PHE 100 HA PHE 100 9.489 8.637 -0.209 772 HB2 PHE 100 HB2 PHE 100 8.939 6.032 -0.642 773 HB3 PHE 100 HB3 PHE 100 7.842 6.353 0.701 774 HD1 PHE 100 HD1 PHE 100 7.735 6.102 -2.731 775 HD2 PHE 100 HD2 PHE 100 6.862 9.064 0.319 776 HE1 PHE 100 HE1 PHE 100 6.483 7.427 -4.353 777 HE2 PHE 100 HE2 PHE 100 5.660 10.393 -1.326 778 HZ PHE 100 HZ PHE 100 5.528 9.615 -3.718 779 H LEU 101 H LEU 101 9.166 10.241 1.184 780 HA LEU 101 HA LEU 101 8.636 9.556 4.022 781 HB2 LEU 101 HB2 LEU 101 10.136 11.942 2.937 782 HB3 LEU 101 HB3 LEU 101 9.621 11.743 4.600 783 HG LEU 101 HG LEU 101 11.729 10.153 3.094 784 HD11 LEU 101 HD11 LEU 101 13.177 10.911 4.966 785 HD12 LEU 101 HD12 LEU 101 11.791 11.719 5.713 786 HD13 LEU 101 HD13 LEU 101 12.433 12.288 4.165 787 HD21 LEU 101 HD21 LEU 101 12.125 8.829 5.107 788 HD22 LEU 101 HD22 LEU 101 10.537 8.473 4.459 789 HD23 LEU 101 HD23 LEU 101 10.682 9.516 5.889 790 H SER 102 H SER 102 6.372 9.527 3.895 791 HA SER 102 HA SER 102 5.061 11.963 2.883 792 HB2 SER 102 HB2 SER 102 3.030 10.334 2.951 793 HB3 SER 102 HB3 SER 102 4.253 10.256 1.677 794 HG SER 102 HG SER 102 3.946 8.259 2.257 795 HA PRO 103 HA PRO 103 3.638 13.131 6.901 796 HB2 PRO 103 HB2 PRO 103 1.538 14.755 6.306 797 HB3 PRO 103 HB3 PRO 103 3.145 15.093 5.634 798 HG2 PRO 103 HG2 PRO 103 0.900 13.505 4.316 799 HG3 PRO 103 HG3 PRO 103 1.730 14.940 3.650 800 HD2 PRO 103 HD2 PRO 103 2.517 12.429 3.023 801 HD3 PRO 103 HD3 PRO 103 3.715 13.728 3.266 802 H GLU 104 H GLU 104 1.248 13.553 7.950 803 HA GLU 104 HA GLU 104 0.193 11.142 8.808 804 HB2 GLU 104 HB2 GLU 104 -1.606 12.495 9.770 805 HB3 GLU 104 HB3 GLU 104 -0.037 13.235 10.006 806 HG2 GLU 104 HG2 GLU 104 -1.114 14.344 7.562 807 HG3 GLU 104 HG3 GLU 104 -2.425 14.315 8.730 808 H VAL 105 H VAL 105 -0.710 12.956 5.924 809 HA VAL 105 HA VAL 105 -3.192 11.824 5.392 810 HB VAL 105 HB VAL 105 -1.158 12.601 3.272 811 HG11 VAL 105 HG11 VAL 105 -3.222 13.297 2.028 812 HG12 VAL 105 HG12 VAL 105 -3.222 11.568 2.387 813 HG13 VAL 105 HG13 VAL 105 -4.207 12.667 3.368 814 HG21 VAL 105 HG21 VAL 105 -1.268 14.470 4.888 815 HG22 VAL 105 HG22 VAL 105 -2.174 14.894 3.442 816 HG23 VAL 105 HG23 VAL 105 -3.041 14.380 4.899 817 H PHE 106 H PHE 106 -0.026 10.334 5.190 818 HA PHE 106 HA PHE 106 -0.675 8.151 3.431 819 HB2 PHE 106 HB2 PHE 106 1.641 8.560 3.968 820 HB3 PHE 106 HB3 PHE 106 1.297 8.560 5.692 821 HD1 PHE 106 HD1 PHE 106 1.488 6.326 2.727 822 HD2 PHE 106 HD2 PHE 106 1.415 6.596 7.021 823 HE1 PHE 106 HE1 PHE 106 1.918 3.925 2.870 824 HE2 PHE 106 HE2 PHE 106 1.865 4.159 7.189 825 HZ PHE 106 HZ PHE 106 2.090 2.796 5.121 826 H GLN 107 H GLN 107 -1.133 8.743 6.946 827 HA GLN 107 HA GLN 107 -2.200 6.072 7.382 828 HB2 GLN 107 HB2 GLN 107 -2.010 8.446 9.275 829 HB3 GLN 107 HB3 GLN 107 -2.577 6.815 9.688 830 HG2 GLN 107 HG2 GLN 107 -0.339 5.934 8.796 831 HG3 GLN 107 HG3 GLN 107 0.212 7.615 8.768 832 HE21 GLN 107 HE21 GLN 107 0.542 8.732 10.844 833 HE22 GLN 107 HE22 GLN 107 0.720 7.748 12.286 834 H HIS 108 H HIS 108 -3.447 9.238 6.530 835 HA HIS 108 HA HIS 108 -6.133 8.846 7.334 836 HB2 HIS 108 HB2 HIS 108 -5.084 10.364 4.915 837 HB3 HIS 108 HB3 HIS 108 -6.732 10.402 5.486 838 HD1 HIS 108 HD1 HIS 108 -6.253 13.076 5.660 839 HD2 HIS 108 HD2 HIS 108 -4.354 10.525 8.430 840 HE1 HIS 108 HE1 HIS 108 -5.491 14.554 7.628 841 H ILE 109 H ILE 109 -4.322 7.499 4.649 842 HA ILE 109 HA ILE 109 -6.457 6.620 3.021 843 HB ILE 109 HB ILE 109 -3.739 5.365 3.475 844 HG12 ILE 109 HG12 ILE 109 -4.655 7.214 1.215 845 HG13 ILE 109 HG13 ILE 109 -3.789 7.787 2.630 846 HG21 ILE 109 HG21 ILE 109 -5.603 4.964 1.102 847 HG22 ILE 109 HG22 ILE 109 -4.018 4.204 1.363 848 HG23 ILE 109 HG23 ILE 109 -5.363 3.785 2.399 849 HD11 ILE 109 HD11 ILE 109 -1.864 6.331 2.091 850 HD12 ILE 109 HD12 ILE 109 -2.683 5.826 0.599 851 HD13 ILE 109 HD13 ILE 109 -2.238 7.524 0.829 852 H TRP 110 H TRP 110 -4.935 5.222 5.971 853 HA TRP 110 HA TRP 110 -6.525 2.833 5.791 854 HB2 TRP 110 HB2 TRP 110 -5.023 3.684 8.260 855 HB3 TRP 110 HB3 TRP 110 -5.309 2.056 7.625 856 HD1 TRP 110 HD1 TRP 110 -2.531 4.043 8.216 857 HE1 TRP 110 HE1 TRP 110 -0.695 4.035 6.399 858 HE3 TRP 110 HE3 TRP 110 -5.099 1.685 4.490 859 HZ2 TRP 110 HZ2 TRP 110 -0.436 3.183 3.680 860 HZ3 TRP 110 HZ3 TRP 110 -4.019 1.220 2.328 861 HH2 TRP 110 HH2 TRP 110 -1.699 1.985 1.886 862 H ASP 111 H ASP 111 -6.719 5.913 7.454 863 HA ASP 111 HA ASP 111 -8.758 5.287 9.359 864 HB2 ASP 111 HB2 ASP 111 -8.362 7.961 7.929 865 HB3 ASP 111 HB3 ASP 111 -9.268 7.681 9.407 866 H PHE 112 H PHE 112 -8.952 6.499 5.995 867 HA PHE 112 HA PHE 112 -11.842 6.537 6.136 868 HB2 PHE 112 HB2 PHE 112 -11.951 7.652 4.224 869 HB3 PHE 112 HB3 PHE 112 -10.283 8.027 4.616 870 HD1 PHE 112 HD1 PHE 112 -12.556 6.149 2.391 871 HD2 PHE 112 HD2 PHE 112 -8.473 6.927 3.398 872 HE1 PHE 112 HE1 PHE 112 -11.832 4.889 0.380 873 HE2 PHE 112 HE2 PHE 112 -7.714 5.682 1.392 874 HZ PHE 112 HZ PHE 112 -9.387 4.679 -0.149 875 H LEU 113 H LEU 113 -9.493 4.108 5.393 876 HA LEU 113 HA LEU 113 -10.999 2.537 3.590 877 HB2 LEU 113 HB2 LEU 113 -9.234 1.173 3.623 878 HB3 LEU 113 HB3 LEU 113 -8.485 2.371 4.633 879 HG LEU 113 HG LEU 113 -9.471 0.995 6.638 880 HD11 LEU 113 HD11 LEU 113 -9.201 -1.188 4.508 881 HD12 LEU 113 HD12 LEU 113 -10.771 -0.598 5.025 882 HD13 LEU 113 HD13 LEU 113 -9.712 -1.401 6.195 883 HD21 LEU 113 HD21 LEU 113 -7.096 0.208 4.935 884 HD22 LEU 113 HD22 LEU 113 -7.491 -0.683 6.424 885 HD23 LEU 113 HD23 LEU 113 -7.142 1.016 6.522 886 H GLU 114 H GLU 114 -11.148 2.776 7.124 887 HA GLU 114 HA GLU 114 -12.825 0.466 7.522 888 HB2 GLU 114 HB2 GLU 114 -12.492 3.002 9.184 889 HB3 GLU 114 HB3 GLU 114 -13.464 1.613 9.674 890 HG2 GLU 114 HG2 GLU 114 -11.425 0.164 9.538 891 HG3 GLU 114 HG3 GLU 114 -10.465 1.623 9.207 892 H GLN 115 H GLN 115 -13.641 3.918 7.086 893 HA GLN 115 HA GLN 115 -16.514 3.418 7.337 894 HB2 GLN 115 HB2 GLN 115 -16.675 5.847 6.951 895 HB3 GLN 115 HB3 GLN 115 -15.426 5.497 8.104 896 HG2 GLN 115 HG2 GLN 115 -13.712 6.029 6.657 897 HG3 GLN 115 HG3 GLN 115 -14.661 5.769 5.187 898 HE21 GLN 115 HE21 GLN 115 -13.256 8.282 6.917 899 HE22 GLN 115 HE22 GLN 115 -14.449 9.500 6.544 900 HA PRO 116 HA PRO 116 -17.347 2.773 2.979 901 HB2 PRO 116 HB2 PRO 116 -19.759 3.962 2.521 902 HB3 PRO 116 HB3 PRO 116 -19.560 2.565 3.617 903 HG2 PRO 116 HG2 PRO 116 -19.848 5.484 4.281 904 HG3 PRO 116 HG3 PRO 116 -20.582 4.072 5.096 905 HD2 PRO 116 HD2 PRO 116 -18.299 5.395 5.912 906 HD3 PRO 116 HD3 PRO 116 -18.687 3.705 6.361 907 H ILE 117 H ILE 117 -18.449 4.482 0.996 908 HA ILE 117 HA ILE 117 -16.142 6.027 0.317 909 HB ILE 117 HB ILE 117 -18.936 5.873 -0.886 910 HG12 ILE 117 HG12 ILE 117 -16.243 4.785 -1.846 911 HG13 ILE 117 HG13 ILE 117 -17.448 3.823 -0.999 912 HG21 ILE 117 HG21 ILE 117 -18.006 7.020 -2.890 913 HG22 ILE 117 HG22 ILE 117 -18.002 8.059 -1.492 914 HG23 ILE 117 HG23 ILE 117 -16.482 7.300 -2.018 915 HD11 ILE 117 HD11 ILE 117 -17.640 3.311 -3.305 916 HD12 ILE 117 HD12 ILE 117 -19.054 4.303 -2.891 917 HD13 ILE 117 HD13 ILE 117 -17.684 5.008 -3.785 918 H SER 118 H SER 118 -15.782 8.171 0.265 919 HA SER 118 HA SER 118 -17.625 10.169 1.186 920 HB2 SER 118 HB2 SER 118 -16.089 10.842 3.118 921 HB3 SER 118 HB3 SER 118 -17.143 9.429 3.305 922 HG SER 118 HG SER 118 -15.405 8.611 4.008 923 H SER 119 H SER 119 -15.740 12.265 1.578 924 HA SER 119 HA SER 119 -15.052 12.782 -1.167 925 HB2 SER 119 HB2 SER 119 -14.537 14.378 1.360 926 HB3 SER 119 HB3 SER 119 -14.535 14.983 -0.310 927 HG SER 119 HG SER 119 -16.615 15.043 -0.311 928 H VAL 120 H VAL 120 -13.334 10.880 -1.271 929 HA VAL 120 HA VAL 120 -10.768 11.629 -0.070 930 HB VAL 120 HB VAL 120 -11.491 9.309 -0.182 931 HG11 VAL 120 HG11 VAL 120 -10.862 9.242 -3.143 932 HG12 VAL 120 HG12 VAL 120 -11.384 7.916 -2.095 933 HG13 VAL 120 HG13 VAL 120 -12.497 9.241 -2.454 934 HG21 VAL 120 HG21 VAL 120 -9.115 10.062 0.060 935 HG22 VAL 120 HG22 VAL 120 -9.385 8.402 -0.386 936 HG23 VAL 120 HG23 VAL 120 -8.860 9.580 -1.629 937 H GLN 121 H GLN 121 -11.531 13.736 -1.432 938 HA GLN 121 HA GLN 121 -9.905 13.811 -3.953 939 HB2 GLN 121 HB2 GLN 121 -12.545 15.161 -3.322 940 HB3 GLN 121 HB3 GLN 121 -11.433 15.718 -4.578 941 HG2 GLN 121 HG2 GLN 121 -13.011 14.380 -5.689 942 HG3 GLN 121 HG3 GLN 121 -11.522 13.461 -5.644 943 HE21 GLN 121 HE21 GLN 121 -11.741 11.344 -5.027 944 HE22 GLN 121 HE22 GLN 121 -13.204 10.638 -4.386 945 HA PRO 122 HA PRO 122 -8.113 16.560 -0.782 946 HB2 PRO 122 HB2 PRO 122 -5.465 15.921 -1.048 947 HB3 PRO 122 HB3 PRO 122 -6.602 14.922 -0.099 948 HG2 PRO 122 HG2 PRO 122 -5.617 14.472 -2.914 949 HG3 PRO 122 HG3 PRO 122 -5.857 13.302 -1.584 950 HD2 PRO 122 HD2 PRO 122 -7.677 13.743 -3.643 951 HD3 PRO 122 HD3 PRO 122 -8.098 13.076 -2.038 952 H ILE 123 H ILE 123 -6.340 18.269 -1.144 953 HA ILE 123 HA ILE 123 -6.150 19.085 -4.016 954 HB ILE 123 HB ILE 123 -6.535 21.365 -3.309 955 HG12 ILE 123 HG12 ILE 123 -7.319 20.279 -0.569 956 HG13 ILE 123 HG13 ILE 123 -5.801 21.120 -0.918 957 HG21 ILE 123 HG21 ILE 123 -8.805 19.514 -2.439 958 HG22 ILE 123 HG22 ILE 123 -8.974 21.157 -3.084 959 HG23 ILE 123 HG23 ILE 123 -8.370 19.865 -4.128 960 HD11 ILE 123 HD11 ILE 123 -7.068 23.132 -1.601 961 HD12 ILE 123 HD12 ILE 123 -8.578 22.304 -1.184 962 HD13 ILE 123 HD13 ILE 123 -7.390 22.655 0.080 963 H ASP 124 H ASP 124 -4.402 18.063 -1.580 964 HA ASP 124 HA ASP 124 -1.961 19.522 -2.408 965 HB2 ASP 124 HB2 ASP 124 -2.730 20.645 -0.358 966 HB3 ASP 124 HB3 ASP 124 -2.798 19.084 0.479 Start of MODEL 20 1 H1 ALA 1 H ALA 1 23.911 3.734 1.638 2 HA ALA 1 HA ALA 1 25.044 6.138 2.905 3 HB1 ALA 1 HB1 ALA 1 24.527 7.400 0.899 4 HB2 ALA 1 HB2 ALA 1 25.568 6.029 0.488 5 HB3 ALA 1 HB3 ALA 1 23.829 5.970 0.116 6 H THR 2 H THR 2 21.918 4.639 1.699 7 HA THR 2 HA THR 2 20.457 6.891 2.774 8 HB THR 2 HB THR 2 19.645 5.568 0.874 9 HG1 THR 2 HG1 THR 2 17.595 5.815 1.464 10 HG21 THR 2 HG21 THR 2 18.409 3.494 1.226 11 HG22 THR 2 HG22 THR 2 18.880 3.444 2.932 12 HG23 THR 2 HG23 THR 2 20.106 3.246 1.662 13 H GLN 3 H GLN 3 21.362 3.691 4.093 14 HA GLN 3 HA GLN 3 19.768 3.198 6.074 15 HB2 GLN 3 HB2 GLN 3 21.726 1.906 5.636 16 HB3 GLN 3 HB3 GLN 3 22.778 3.127 6.377 17 HG2 GLN 3 HG2 GLN 3 21.937 2.710 8.544 18 HG3 GLN 3 HG3 GLN 3 20.480 1.916 7.926 19 HE21 GLN 3 HE21 GLN 3 20.575 -0.100 8.829 20 HE22 GLN 3 HE22 GLN 3 21.918 -1.191 8.723 21 H SER 4 H SER 4 18.545 4.529 7.179 22 HA SER 4 HA SER 4 19.715 6.487 9.070 23 HB2 SER 4 HB2 SER 4 17.558 7.683 8.775 24 HB3 SER 4 HB3 SER 4 18.456 7.574 7.274 25 HG SER 4 HG SER 4 16.851 6.483 6.430 26 HA PRO 5 HA PRO 5 17.685 3.761 11.971 27 HB2 PRO 5 HB2 PRO 5 16.562 5.335 13.893 28 HB3 PRO 5 HB3 PRO 5 18.331 5.106 13.732 29 HG2 PRO 5 HG2 PRO 5 16.654 7.423 12.795 30 HG3 PRO 5 HG3 PRO 5 18.285 7.445 13.549 31 HD2 PRO 5 HD2 PRO 5 17.796 7.676 10.839 32 HD3 PRO 5 HD3 PRO 5 19.318 7.016 11.520 33 H GLY 6 H GLY 6 16.080 2.825 10.762 34 HA2 GLY 6 HA2 GLY 6 13.569 4.307 10.096 35 HA3 GLY 6 HA3 GLY 6 14.206 2.914 9.259 36 H ASP 7 H ASP 7 14.338 2.607 12.726 37 HA ASP 7 HA ASP 7 12.670 0.343 12.698 38 HB2 ASP 7 HB2 ASP 7 12.647 0.534 15.193 39 HB3 ASP 7 HB3 ASP 7 14.151 0.257 14.331 40 H SER 8 H SER 8 11.781 3.710 13.764 41 HA SER 8 HA SER 8 9.115 3.021 14.421 42 HB2 SER 8 HB2 SER 8 9.979 5.669 13.219 43 HB3 SER 8 HB3 SER 8 8.650 5.376 14.341 44 HG SER 8 HG SER 8 11.036 6.086 14.915 45 H ARG 9 H ARG 9 10.566 3.936 11.285 46 HA ARG 9 HA ARG 9 8.050 4.143 9.879 47 HB2 ARG 9 HB2 ARG 9 10.843 3.568 8.791 48 HB3 ARG 9 HB3 ARG 9 9.436 3.928 7.796 49 HG2 ARG 9 HG2 ARG 9 10.571 5.810 9.895 50 HG3 ARG 9 HG3 ARG 9 10.982 5.874 8.180 51 HD2 ARG 9 HD2 ARG 9 8.681 6.350 7.572 52 HD3 ARG 9 HD3 ARG 9 8.141 6.194 9.252 53 HE ARG 9 HE ARG 9 9.915 8.126 9.589 54 HH11 ARG 9 HH11 ARG 9 7.158 7.795 7.330 55 HH12 ARG 9 HH12 ARG 9 6.960 9.520 7.189 56 HH21 ARG 9 HH21 ARG 9 9.632 10.450 9.267 57 HH22 ARG 9 HH22 ARG 9 8.322 10.975 8.252 58 H ARG 10 H ARG 10 10.384 1.391 10.171 59 HA ARG 10 HA ARG 10 8.811 -0.275 8.499 60 HB2 ARG 10 HB2 ARG 10 9.952 -2.224 9.454 61 HB3 ARG 10 HB3 ARG 10 11.107 -0.934 9.076 62 HG2 ARG 10 HG2 ARG 10 11.302 -0.360 11.347 63 HG3 ARG 10 HG3 ARG 10 10.008 -1.473 11.855 64 HD2 ARG 10 HD2 ARG 10 11.444 -3.362 11.025 65 HD3 ARG 10 HD3 ARG 10 12.739 -2.158 10.801 66 HE ARG 10 HE ARG 10 11.345 -2.362 13.423 67 HH11 ARG 10 HH11 ARG 10 14.299 -3.241 11.648 68 HH12 ARG 10 HH12 ARG 10 15.314 -3.019 13.054 69 HH21 ARG 10 HH21 ARG 10 12.650 -2.216 15.246 70 HH22 ARG 10 HH22 ARG 10 14.339 -2.630 15.142 71 H LEU 11 H LEU 11 8.539 0.120 12.089 72 HA LEU 11 HA LEU 11 6.450 -1.845 12.148 73 HB2 LEU 11 HB2 LEU 11 6.112 -1.311 14.445 74 HB3 LEU 11 HB3 LEU 11 7.811 -1.455 14.069 75 HG LEU 11 HG LEU 11 7.552 1.239 13.819 76 HD11 LEU 11 HD11 LEU 11 5.158 1.280 14.487 77 HD12 LEU 11 HD12 LEU 11 6.177 2.112 15.665 78 HD13 LEU 11 HD13 LEU 11 5.574 0.473 16.007 79 HD21 LEU 11 HD21 LEU 11 8.024 -0.284 16.386 80 HD22 LEU 11 HD22 LEU 11 8.470 1.415 16.111 81 HD23 LEU 11 HD23 LEU 11 9.235 0.126 15.174 82 H SER 12 H SER 12 6.294 1.698 11.796 83 HA SER 12 HA SER 12 3.425 1.684 12.051 84 HB2 SER 12 HB2 SER 12 3.505 3.959 11.283 85 HB3 SER 12 HB3 SER 12 4.742 3.660 12.500 86 HG SER 12 HG SER 12 5.892 4.669 11.086 87 H ILE 13 H ILE 13 5.631 1.271 9.289 88 HA ILE 13 HA ILE 13 3.560 1.291 7.291 89 HB ILE 13 HB ILE 13 6.456 0.353 7.287 90 HG12 ILE 13 HG12 ILE 13 5.128 2.666 5.785 91 HG13 ILE 13 HG13 ILE 13 5.831 2.864 7.387 92 HG21 ILE 13 HG21 ILE 13 4.398 0.298 5.056 93 HG22 ILE 13 HG22 ILE 13 6.151 0.248 4.757 94 HG23 ILE 13 HG23 ILE 13 5.380 -1.041 5.671 95 HD11 ILE 13 HD11 ILE 13 7.328 2.123 4.844 96 HD12 ILE 13 HD12 ILE 13 7.466 3.595 5.814 97 HD13 ILE 13 HD13 ILE 13 8.042 2.053 6.472 98 H GLN 14 H GLN 14 5.330 -1.450 8.953 99 HA GLN 14 HA GLN 14 4.082 -3.519 7.583 100 HB2 GLN 14 HB2 GLN 14 5.110 -3.392 10.419 101 HB3 GLN 14 HB3 GLN 14 4.378 -4.858 9.772 102 HG2 GLN 14 HG2 GLN 14 6.773 -3.449 8.548 103 HG3 GLN 14 HG3 GLN 14 6.858 -4.853 9.596 104 HE21 GLN 14 HE21 GLN 14 8.003 -4.748 7.068 105 HE22 GLN 14 HE22 GLN 14 7.188 -5.821 5.952 106 H ARG 15 H ARG 15 2.680 -1.702 10.369 107 HA ARG 15 HA ARG 15 0.436 -3.351 10.783 108 HB2 ARG 15 HB2 ARG 15 0.989 -1.434 12.219 109 HB3 ARG 15 HB3 ARG 15 0.654 -0.307 10.898 110 HG2 ARG 15 HG2 ARG 15 -1.738 -1.033 10.888 111 HG3 ARG 15 HG3 ARG 15 -1.384 -2.170 12.197 112 HD2 ARG 15 HD2 ARG 15 -2.402 -0.209 13.135 113 HD3 ARG 15 HD3 ARG 15 -0.694 -0.209 13.611 114 HE ARG 15 HE ARG 15 -1.135 1.283 11.169 115 HH11 ARG 15 HH11 ARG 15 -1.825 1.526 14.650 116 HH12 ARG 15 HH12 ARG 15 -1.851 3.241 14.640 117 HH21 ARG 15 HH21 ARG 15 -0.742 3.554 11.287 118 HH22 ARG 15 HH22 ARG 15 -1.107 4.403 12.768 119 H ALA 16 H ALA 16 0.838 -0.706 8.393 120 HA ALA 16 HA ALA 16 -1.791 -0.897 7.284 121 HB1 ALA 16 HB1 ALA 16 0.787 0.124 6.017 122 HB2 ALA 16 HB2 ALA 16 -0.849 0.361 5.406 123 HB3 ALA 16 HB3 ALA 16 -0.372 1.084 6.959 124 H ILE 17 H ILE 17 1.382 -2.267 6.383 125 HA ILE 17 HA ILE 17 0.508 -3.573 4.030 126 HB ILE 17 HB ILE 17 2.991 -3.902 5.712 127 HG12 ILE 17 HG12 ILE 17 2.193 -2.400 3.172 128 HG13 ILE 17 HG13 ILE 17 2.770 -1.728 4.693 129 HG21 ILE 17 HG21 ILE 17 4.000 -5.166 3.887 130 HG22 ILE 17 HG22 ILE 17 2.569 -6.016 4.449 131 HG23 ILE 17 HG23 ILE 17 2.489 -5.063 2.948 132 HD11 ILE 17 HD11 ILE 17 4.555 -1.511 3.181 133 HD12 ILE 17 HD12 ILE 17 4.985 -2.905 4.208 134 HD13 ILE 17 HD13 ILE 17 4.347 -3.147 2.559 135 H GLN 18 H GLN 18 0.567 -4.876 7.412 136 HA GLN 18 HA GLN 18 0.181 -7.563 6.564 137 HB2 GLN 18 HB2 GLN 18 -0.666 -6.142 9.127 138 HB3 GLN 18 HB3 GLN 18 -0.893 -7.869 8.862 139 HG2 GLN 18 HG2 GLN 18 1.761 -6.398 9.005 140 HG3 GLN 18 HG3 GLN 18 1.103 -7.578 10.132 141 HE21 GLN 18 HE21 GLN 18 3.628 -7.457 8.198 142 HE22 GLN 18 HE22 GLN 18 3.535 -9.071 7.491 143 H SER 19 H SER 19 -2.132 -4.938 6.858 144 HA SER 19 HA SER 19 -4.457 -6.697 6.535 145 HB2 SER 19 HB2 SER 19 -4.224 -3.668 6.309 146 HB3 SER 19 HB3 SER 19 -5.712 -4.619 6.489 147 HG SER 19 HG SER 19 -5.254 -4.064 8.513 148 H LEU 20 H LEU 20 -2.604 -4.407 4.538 149 HA LEU 20 HA LEU 20 -3.953 -4.542 2.113 150 HB2 LEU 20 HB2 LEU 20 -2.269 -2.944 2.801 151 HB3 LEU 20 HB3 LEU 20 -1.035 -4.191 2.859 152 HG LEU 20 HG LEU 20 -2.363 -3.426 0.272 153 HD11 LEU 20 HD11 LEU 20 0.062 -2.241 1.722 154 HD12 LEU 20 HD12 LEU 20 -1.416 -1.387 1.222 155 HD13 LEU 20 HD13 LEU 20 -0.264 -1.967 0.012 156 HD21 LEU 20 HD21 LEU 20 -0.137 -4.156 -0.667 157 HD22 LEU 20 HD22 LEU 20 -1.095 -5.458 0.000 158 HD23 LEU 20 HD23 LEU 20 0.278 -4.798 0.932 159 H VAL 21 H VAL 21 -1.072 -6.432 3.037 160 HA VAL 21 HA VAL 21 -0.911 -8.079 0.769 161 HB VAL 21 HB VAL 21 -0.062 -8.521 3.659 162 HG11 VAL 21 HG11 VAL 21 -0.261 -10.772 2.674 163 HG12 VAL 21 HG12 VAL 21 0.651 -10.248 1.250 164 HG13 VAL 21 HG13 VAL 21 1.433 -10.329 2.843 165 HG21 VAL 21 HG21 VAL 21 2.152 -7.967 2.867 166 HG22 VAL 21 HG22 VAL 21 1.614 -7.962 1.176 167 HG23 VAL 21 HG23 VAL 21 1.057 -6.702 2.284 168 H HIS 22 H HIS 22 -2.427 -8.921 3.939 169 HA HIS 22 HA HIS 22 -3.454 -11.374 3.126 170 HB2 HIS 22 HB2 HIS 22 -3.380 -10.748 5.453 171 HB3 HIS 22 HB3 HIS 22 -4.537 -9.434 5.192 172 HD1 HIS 22 HD1 HIS 22 -4.459 -13.343 5.099 173 HD2 HIS 22 HD2 HIS 22 -7.087 -10.047 4.874 174 HE1 HIS 22 HE1 HIS 22 -6.809 -14.268 5.035 175 H ALA 23 H ALA 23 -5.111 -8.142 2.930 176 HA ALA 23 HA ALA 23 -7.510 -9.241 1.852 177 HB1 ALA 23 HB1 ALA 23 -7.304 -7.054 2.939 178 HB2 ALA 23 HB2 ALA 23 -6.355 -6.442 1.561 179 HB3 ALA 23 HB3 ALA 23 -8.056 -6.931 1.331 180 H ALA 24 H ALA 24 -4.417 -8.514 0.290 181 HA ALA 24 HA ALA 24 -5.537 -8.281 -2.384 182 HB1 ALA 24 HB1 ALA 24 -3.190 -8.248 -3.078 183 HB2 ALA 24 HB2 ALA 24 -3.411 -7.152 -1.703 184 HB3 ALA 24 HB3 ALA 24 -2.659 -8.750 -1.465 185 H GLN 25 H GLN 25 -4.062 -10.825 -0.359 186 HA GLN 25 HA GLN 25 -4.200 -12.787 -2.552 187 HB2 GLN 25 HB2 GLN 25 -2.962 -14.243 -1.101 188 HB3 GLN 25 HB3 GLN 25 -2.208 -12.655 -1.137 189 HG2 GLN 25 HG2 GLN 25 -3.265 -12.146 1.075 190 HG3 GLN 25 HG3 GLN 25 -3.948 -13.760 1.114 191 HE21 GLN 25 HE21 GLN 25 -2.781 -14.883 2.752 192 HE22 GLN 25 HE22 GLN 25 -1.025 -14.916 2.783 193 H CYS 26 H CYS 26 -6.385 -11.668 -0.244 194 HA CYS 26 HA CYS 26 -7.533 -14.029 0.735 195 HB2 CYS 26 HB2 CYS 26 -7.787 -11.984 1.861 196 HB3 CYS 26 HB3 CYS 26 -8.539 -11.207 0.451 197 H ARG 27 H ARG 27 -7.878 -15.491 -0.850 198 HA ARG 27 HA ARG 27 -10.369 -15.269 -2.390 199 HB2 ARG 27 HB2 ARG 27 -7.717 -15.886 -3.784 200 HB3 ARG 27 HB3 ARG 27 -9.309 -16.228 -4.467 201 HG2 ARG 27 HG2 ARG 27 -8.246 -13.459 -3.770 202 HG3 ARG 27 HG3 ARG 27 -8.304 -14.172 -5.371 203 HD2 ARG 27 HD2 ARG 27 -10.788 -14.357 -5.212 204 HD3 ARG 27 HD3 ARG 27 -10.723 -13.548 -3.632 205 HE ARG 27 HE ARG 27 -9.320 -12.044 -5.604 206 HH11 ARG 27 HH11 ARG 27 -12.573 -12.592 -4.228 207 HH12 ARG 27 HH12 ARG 27 -13.079 -10.965 -4.568 208 HH21 ARG 27 HH21 ARG 27 -10.355 -10.409 -6.762 209 HH22 ARG 27 HH22 ARG 27 -11.902 -9.797 -6.272 210 H ASN 28 H ASN 28 -10.991 -16.712 -0.665 211 HA ASN 28 HA ASN 28 -10.807 -19.468 -1.261 212 HB2 ASN 28 HB2 ASN 28 -8.506 -19.216 -0.237 213 HB3 ASN 28 HB3 ASN 28 -9.274 -18.615 1.233 214 HD21 ASN 28 HD21 ASN 28 -8.108 -20.539 2.290 215 HD22 ASN 28 HD22 ASN 28 -9.009 -22.049 2.224 216 H ALA 29 H ALA 29 -12.171 -20.654 0.245 217 HA ALA 29 HA ALA 29 -14.346 -19.059 1.373 218 HB1 ALA 29 HB1 ALA 29 -13.728 -22.061 1.411 219 HB2 ALA 29 HB2 ALA 29 -15.237 -21.322 1.975 220 HB3 ALA 29 HB3 ALA 29 -14.791 -21.216 0.258 221 H ASN 30 H ASN 30 -11.694 -21.107 2.686 222 HA ASN 30 HA ASN 30 -12.461 -20.872 5.390 223 HB2 ASN 30 HB2 ASN 30 -9.575 -21.084 4.451 224 HB3 ASN 30 HB3 ASN 30 -10.239 -21.598 5.981 225 HD21 ASN 30 HD21 ASN 30 -12.031 -23.385 5.833 226 HD22 ASN 30 HD22 ASN 30 -11.730 -24.606 4.615 227 H CYS 31 H CYS 31 -11.094 -18.416 3.397 228 HA CYS 31 HA CYS 31 -9.552 -17.004 5.405 229 HB2 CYS 31 HB2 CYS 31 -9.231 -17.014 2.898 230 HB3 CYS 31 HB3 CYS 31 -10.728 -16.074 2.745 231 H SER 32 H SER 32 -10.504 -15.917 7.052 232 HA SER 32 HA SER 32 -12.857 -14.233 6.618 233 HB2 SER 32 HB2 SER 32 -12.826 -16.500 8.637 234 HB3 SER 32 HB3 SER 32 -13.996 -15.168 8.622 235 HG SER 32 HG SER 32 -13.611 -16.541 6.222 236 H LEU 33 H LEU 33 -11.433 -12.356 6.986 237 HA LEU 33 HA LEU 33 -10.426 -12.177 9.798 238 HB2 LEU 33 HB2 LEU 33 -8.940 -11.766 7.236 239 HB3 LEU 33 HB3 LEU 33 -8.768 -10.481 8.398 240 HG LEU 33 HG LEU 33 -8.192 -12.274 10.160 241 HD11 LEU 33 HD11 LEU 33 -7.754 -13.852 7.587 242 HD12 LEU 33 HD12 LEU 33 -8.847 -14.280 8.922 243 HD13 LEU 33 HD13 LEU 33 -7.109 -14.303 9.188 244 HD21 LEU 33 HD21 LEU 33 -5.834 -12.256 9.478 245 HD22 LEU 33 HD22 LEU 33 -6.569 -10.673 9.240 246 HD23 LEU 33 HD23 LEU 33 -6.287 -11.736 7.841 247 HA PRO 34 HA PRO 34 -12.681 -8.403 9.910 248 HB2 PRO 34 HB2 PRO 34 -11.465 -7.003 11.937 249 HB3 PRO 34 HB3 PRO 34 -12.399 -8.507 12.220 250 HG2 PRO 34 HG2 PRO 34 -9.397 -8.221 11.912 251 HG3 PRO 34 HG3 PRO 34 -10.302 -9.084 13.185 252 HD2 PRO 34 HD2 PRO 34 -9.285 -10.372 11.008 253 HD3 PRO 34 HD3 PRO 34 -10.860 -10.858 11.699 254 H SER 35 H SER 35 -9.097 -8.042 9.698 255 HA SER 35 HA SER 35 -9.033 -5.312 8.877 256 HB2 SER 35 HB2 SER 35 -6.773 -6.177 7.916 257 HB3 SER 35 HB3 SER 35 -7.006 -6.249 9.667 258 HG SER 35 HG SER 35 -6.147 -8.213 8.626 259 H CYS 36 H CYS 36 -8.959 -8.394 7.259 260 HA CYS 36 HA CYS 36 -8.858 -7.876 4.604 261 HB2 CYS 36 HB2 CYS 36 -9.002 -10.088 5.930 262 HB3 CYS 36 HB3 CYS 36 -10.740 -9.969 5.757 263 H GLN 37 H GLN 37 -11.920 -8.261 6.424 264 HA GLN 37 HA GLN 37 -13.666 -7.569 4.362 265 HB2 GLN 37 HB2 GLN 37 -13.894 -7.199 7.380 266 HB3 GLN 37 HB3 GLN 37 -15.260 -6.968 6.284 267 HG2 GLN 37 HG2 GLN 37 -15.209 -9.244 5.525 268 HG3 GLN 37 HG3 GLN 37 -13.687 -9.565 6.351 269 HE21 GLN 37 HE21 GLN 37 -16.534 -10.714 6.625 270 HE22 GLN 37 HE22 GLN 37 -16.777 -10.698 8.355 271 H LYS 38 H LYS 38 -12.261 -5.243 6.793 272 HA LYS 38 HA LYS 38 -13.645 -3.027 5.522 273 HB2 LYS 38 HB2 LYS 38 -11.224 -3.093 7.368 274 HB3 LYS 38 HB3 LYS 38 -12.011 -1.625 6.798 275 HG2 LYS 38 HG2 LYS 38 -13.462 -3.737 8.415 276 HG3 LYS 38 HG3 LYS 38 -12.635 -2.345 9.111 277 HD2 LYS 38 HD2 LYS 38 -14.148 -0.841 7.690 278 HD3 LYS 38 HD3 LYS 38 -15.031 -2.304 7.245 279 HE2 LYS 38 HE2 LYS 38 -16.311 -1.693 9.049 280 HE3 LYS 38 HE3 LYS 38 -15.102 -2.691 9.872 281 HZ1 LYS 38 HZ1 LYS 38 -13.901 -0.526 10.322 282 HZ2 LYS 38 HZ2 LYS 38 -15.301 -0.755 11.108 283 HZ3 LYS 38 HZ3 LYS 38 -15.285 0.244 9.829 284 H MET 39 H MET 39 -10.471 -4.530 5.086 285 HA MET 39 HA MET 39 -9.246 -2.598 3.418 286 HB2 MET 39 HB2 MET 39 -8.929 -5.599 3.729 287 HB3 MET 39 HB3 MET 39 -8.052 -4.725 2.490 288 HG2 MET 39 HG2 MET 39 -7.806 -3.794 5.332 289 HG3 MET 39 HG3 MET 39 -6.994 -5.266 4.790 290 HE1 MET 39 HE1 MET 39 -5.741 -1.017 3.947 291 HE2 MET 39 HE2 MET 39 -7.463 -1.448 3.959 292 HE3 MET 39 HE3 MET 39 -6.457 -1.747 5.400 293 H LYS 40 H LYS 40 -11.416 -5.335 2.579 294 HA LYS 40 HA LYS 40 -11.041 -5.373 -0.166 295 HB2 LYS 40 HB2 LYS 40 -13.269 -6.068 1.692 296 HB3 LYS 40 HB3 LYS 40 -13.753 -5.771 0.023 297 HG2 LYS 40 HG2 LYS 40 -13.384 -8.051 0.092 298 HG3 LYS 40 HG3 LYS 40 -11.974 -7.399 -0.736 299 HD2 LYS 40 HD2 LYS 40 -10.734 -7.544 1.466 300 HD3 LYS 40 HD3 LYS 40 -12.143 -8.340 2.155 301 HE2 LYS 40 HE2 LYS 40 -10.641 -9.449 -0.279 302 HE3 LYS 40 HE3 LYS 40 -10.231 -9.821 1.377 303 HZ1 LYS 40 HZ1 LYS 40 -11.615 -11.491 0.718 304 HZ2 LYS 40 HZ2 LYS 40 -12.797 -10.495 0.090 305 HZ3 LYS 40 HZ3 LYS 40 -12.521 -10.598 1.713 306 H ARG 41 H ARG 41 -12.902 -2.932 1.628 307 HA ARG 41 HA ARG 41 -14.049 -1.672 -0.693 308 HB2 ARG 41 HB2 ARG 41 -14.755 -1.428 1.760 309 HB3 ARG 41 HB3 ARG 41 -13.330 -0.409 1.997 310 HG2 ARG 41 HG2 ARG 41 -14.205 1.228 0.358 311 HG3 ARG 41 HG3 ARG 41 -15.603 0.168 0.055 312 HD2 ARG 41 HD2 ARG 41 -16.271 0.371 2.428 313 HD3 ARG 41 HD3 ARG 41 -14.903 1.443 2.745 314 HE ARG 41 HE ARG 41 -17.437 2.064 1.404 315 HH11 ARG 41 HH11 ARG 41 -14.359 3.430 2.492 316 HH12 ARG 41 HH12 ARG 41 -14.598 4.920 1.661 317 HH21 ARG 41 HH21 ARG 41 -17.820 4.069 0.455 318 HH22 ARG 41 HH22 ARG 41 -16.617 5.324 0.590 319 H VAL 42 H VAL 42 -10.983 -1.164 1.053 320 HA VAL 42 HA VAL 42 -10.263 1.109 -0.548 321 HB VAL 42 HB VAL 42 -9.524 0.184 1.910 322 HG11 VAL 42 HG11 VAL 42 -7.976 -1.588 1.157 323 HG12 VAL 42 HG12 VAL 42 -7.072 -0.393 0.201 324 HG13 VAL 42 HG13 VAL 42 -7.120 -0.267 1.954 325 HG21 VAL 42 HG21 VAL 42 -7.962 1.987 0.063 326 HG22 VAL 42 HG22 VAL 42 -9.389 2.442 1.032 327 HG23 VAL 42 HG23 VAL 42 -7.888 2.003 1.860 328 H VAL 43 H VAL 43 -9.419 -2.301 -0.592 329 HA VAL 43 HA VAL 43 -7.539 -2.264 -2.693 330 HB VAL 43 HB VAL 43 -9.563 -4.475 -2.140 331 HG11 VAL 43 HG11 VAL 43 -6.873 -4.592 -3.574 332 HG12 VAL 43 HG12 VAL 43 -7.922 -5.978 -3.212 333 HG13 VAL 43 HG13 VAL 43 -8.459 -4.721 -4.344 334 HG21 VAL 43 HG21 VAL 43 -6.666 -4.286 -1.188 335 HG22 VAL 43 HG22 VAL 43 -8.040 -3.911 -0.158 336 HG23 VAL 43 HG23 VAL 43 -7.844 -5.547 -0.797 337 H GLN 44 H GLN 44 -11.134 -2.244 -2.931 338 HA GLN 44 HA GLN 44 -11.307 -2.529 -5.751 339 HB2 GLN 44 HB2 GLN 44 -13.087 -1.136 -3.728 340 HB3 GLN 44 HB3 GLN 44 -13.493 -1.203 -5.434 341 HG2 GLN 44 HG2 GLN 44 -12.962 -3.679 -3.747 342 HG3 GLN 44 HG3 GLN 44 -14.566 -2.987 -4.027 343 HE21 GLN 44 HE21 GLN 44 -15.133 -2.679 -6.508 344 HE22 GLN 44 HE22 GLN 44 -14.580 -3.968 -7.559 345 H HIS 45 H HIS 45 -10.436 0.349 -3.804 346 HA HIS 45 HA HIS 45 -10.885 2.225 -5.896 347 HB2 HIS 45 HB2 HIS 45 -10.487 3.069 -3.633 348 HB3 HIS 45 HB3 HIS 45 -8.923 2.265 -3.567 349 HD1 HIS 45 HD1 HIS 45 -10.478 5.296 -5.399 350 HD2 HIS 45 HD2 HIS 45 -6.830 3.271 -4.726 351 HE1 HIS 45 HE1 HIS 45 -8.636 6.697 -6.460 352 H THR 46 H THR 46 -7.755 0.579 -5.010 353 HA THR 46 HA THR 46 -6.392 1.748 -7.234 354 HB THR 46 HB THR 46 -5.182 1.008 -5.311 355 HG1 THR 46 HG1 THR 46 -4.426 -0.780 -7.344 356 HG21 THR 46 HG21 THR 46 -6.152 -1.811 -5.937 357 HG22 THR 46 HG22 THR 46 -6.442 -0.855 -4.468 358 HG23 THR 46 HG23 THR 46 -4.807 -1.418 -4.832 359 H LYS 47 H LYS 47 -8.248 -1.194 -6.923 360 HA LYS 47 HA LYS 47 -7.443 -2.614 -9.203 361 HB2 LYS 47 HB2 LYS 47 -9.903 -2.410 -7.511 362 HB3 LYS 47 HB3 LYS 47 -10.040 -3.307 -9.040 363 HG2 LYS 47 HG2 LYS 47 -8.254 -4.816 -8.331 364 HG3 LYS 47 HG3 LYS 47 -8.007 -3.897 -6.840 365 HD2 LYS 47 HD2 LYS 47 -10.235 -4.464 -6.031 366 HD3 LYS 47 HD3 LYS 47 -10.664 -5.191 -7.587 367 HE2 LYS 47 HE2 LYS 47 -8.843 -6.890 -7.239 368 HE3 LYS 47 HE3 LYS 47 -8.558 -6.225 -5.633 369 HZ1 LYS 47 HZ1 LYS 47 -10.929 -6.811 -5.132 370 HZ2 LYS 47 HZ2 LYS 47 -9.967 -8.080 -5.454 371 HZ3 LYS 47 HZ3 LYS 47 -11.027 -7.535 -6.597 372 H GLY 48 H GLY 48 -9.654 0.173 -8.964 373 HA2 GLY 48 HA2 GLY 48 -9.814 0.220 -11.952 374 HA3 GLY 48 HA3 GLY 48 -11.154 0.631 -10.890 375 H CYS 49 H CYS 49 -8.085 1.818 -9.714 376 HA CYS 49 HA CYS 49 -9.021 4.511 -9.928 377 HB2 CYS 49 HB2 CYS 49 -7.471 3.755 -8.135 378 HB3 CYS 49 HB3 CYS 49 -6.164 3.699 -9.335 379 H LYS 50 H LYS 50 -9.353 5.454 -11.809 380 HA LYS 50 HA LYS 50 -7.201 5.400 -13.852 381 HB2 LYS 50 HB2 LYS 50 -9.883 5.079 -14.266 382 HB3 LYS 50 HB3 LYS 50 -9.757 6.841 -14.386 383 HG2 LYS 50 HG2 LYS 50 -9.353 6.186 -16.585 384 HG3 LYS 50 HG3 LYS 50 -7.709 6.319 -15.987 385 HD2 LYS 50 HD2 LYS 50 -9.362 3.757 -16.225 386 HD3 LYS 50 HD3 LYS 50 -8.130 4.311 -17.367 387 HE2 LYS 50 HE2 LYS 50 -6.467 4.225 -15.404 388 HE3 LYS 50 HE3 LYS 50 -7.734 3.375 -14.501 389 HZ1 LYS 50 HZ1 LYS 50 -6.000 2.434 -16.544 390 HZ2 LYS 50 HZ2 LYS 50 -7.569 1.977 -16.801 391 HZ3 LYS 50 HZ3 LYS 50 -6.804 1.603 -15.383 392 H ARG 51 H ARG 51 -8.615 7.370 -11.341 393 HA ARG 51 HA ARG 51 -7.680 9.860 -12.293 394 HB2 ARG 51 HB2 ARG 51 -9.013 9.028 -10.007 395 HB3 ARG 51 HB3 ARG 51 -7.458 9.533 -9.349 396 HG2 ARG 51 HG2 ARG 51 -9.319 11.195 -11.115 397 HG3 ARG 51 HG3 ARG 51 -9.153 11.346 -9.371 398 HD2 ARG 51 HD2 ARG 51 -6.810 12.122 -9.624 399 HD3 ARG 51 HD3 ARG 51 -6.943 11.933 -11.370 400 HE ARG 51 HE ARG 51 -8.336 13.755 -11.573 401 HH11 ARG 51 HH11 ARG 51 -7.508 13.439 -8.105 402 HH12 ARG 51 HH12 ARG 51 -7.735 15.152 -7.825 403 HH21 ARG 51 HH21 ARG 51 -8.803 15.771 -11.165 404 HH22 ARG 51 HH22 ARG 51 -8.375 16.533 -9.663 405 H LYS 52 H LYS 52 -5.947 7.065 -11.075 406 HA LYS 52 HA LYS 52 -3.549 8.189 -10.234 407 HB2 LYS 52 HB2 LYS 52 -4.256 5.798 -10.053 408 HB3 LYS 52 HB3 LYS 52 -3.991 5.600 -11.783 409 HG2 LYS 52 HG2 LYS 52 -1.573 6.160 -11.453 410 HG3 LYS 52 HG3 LYS 52 -1.874 6.373 -9.712 411 HD2 LYS 52 HD2 LYS 52 -2.749 4.012 -9.638 412 HD3 LYS 52 HD3 LYS 52 -2.287 3.827 -11.337 413 HE2 LYS 52 HE2 LYS 52 0.094 4.335 -10.712 414 HE3 LYS 52 HE3 LYS 52 -0.408 4.408 -9.010 415 HZ1 LYS 52 HZ1 LYS 52 0.375 2.176 -9.498 416 HZ2 LYS 52 HZ2 LYS 52 -0.556 2.096 -10.820 417 HZ3 LYS 52 HZ3 LYS 52 -1.280 2.087 -9.359 418 H THR 53 H THR 53 -4.463 7.017 -13.578 419 HA THR 53 HA THR 53 -2.155 7.947 -14.836 420 HB THR 53 HB THR 53 -4.786 7.977 -16.293 421 HG1 THR 53 HG1 THR 53 -4.907 5.830 -16.411 422 HG21 THR 53 HG21 THR 53 -2.580 8.262 -17.433 423 HG22 THR 53 HG22 THR 53 -3.475 6.858 -18.013 424 HG23 THR 53 HG23 THR 53 -2.114 6.637 -16.893 425 H ASN 54 H ASN 54 -5.321 9.514 -14.292 426 HA ASN 54 HA ASN 54 -4.675 11.934 -15.675 427 HB2 ASN 54 HB2 ASN 54 -6.845 11.330 -13.641 428 HB3 ASN 54 HB3 ASN 54 -6.715 12.825 -14.555 429 HD21 ASN 54 HD21 ASN 54 -8.965 12.261 -15.303 430 HD22 ASN 54 HD22 ASN 54 -9.069 11.196 -16.683 431 H GLY 55 H GLY 55 -3.238 10.924 -12.803 432 HA2 GLY 55 HA2 GLY 55 -1.972 13.345 -12.264 433 HA3 GLY 55 HA3 GLY 55 -3.404 13.323 -11.238 434 H GLY 56 H GLY 56 -3.716 11.521 -9.791 435 HA2 GLY 56 HA2 GLY 56 -2.428 9.286 -9.076 436 HA3 GLY 56 HA3 GLY 56 -1.198 10.472 -8.666 437 H CYS 57 H CYS 57 -4.215 9.052 -7.656 438 HA CYS 57 HA CYS 57 -4.979 11.251 -5.903 439 HB2 CYS 57 HB2 CYS 57 -6.855 9.987 -5.397 440 HB3 CYS 57 HB3 CYS 57 -6.477 9.309 -6.989 441 HA PRO 58 HA PRO 58 -2.270 10.202 -2.490 442 HB2 PRO 58 HB2 PRO 58 -3.822 10.313 -0.242 443 HB3 PRO 58 HB3 PRO 58 -3.480 11.770 -1.214 444 HG2 PRO 58 HG2 PRO 58 -5.900 9.930 -1.415 445 HG3 PRO 58 HG3 PRO 58 -5.911 11.713 -1.161 446 HD2 PRO 58 HD2 PRO 58 -6.205 10.710 -3.604 447 HD3 PRO 58 HD3 PRO 58 -5.094 12.082 -3.395 448 H ILE 59 H ILE 59 -4.992 8.012 -3.035 449 HA ILE 59 HA ILE 59 -3.923 6.070 -1.148 450 HB ILE 59 HB ILE 59 -5.960 5.684 -3.358 451 HG12 ILE 59 HG12 ILE 59 -6.701 6.090 -0.442 452 HG13 ILE 59 HG13 ILE 59 -6.530 7.476 -1.505 453 HG21 ILE 59 HG21 ILE 59 -6.685 3.722 -1.978 454 HG22 ILE 59 HG22 ILE 59 -5.015 3.562 -2.528 455 HG23 ILE 59 HG23 ILE 59 -5.352 4.045 -0.859 456 HD11 ILE 59 HD11 ILE 59 -8.423 5.159 -2.040 457 HD12 ILE 59 HD12 ILE 59 -8.849 6.795 -1.482 458 HD13 ILE 59 HD13 ILE 59 -8.144 6.563 -3.087 459 H CYS 60 H CYS 60 -4.216 6.183 -4.744 460 HA CYS 60 HA CYS 60 -2.502 3.903 -5.096 461 HB2 CYS 60 HB2 CYS 60 -2.432 4.599 -7.476 462 HB3 CYS 60 HB3 CYS 60 -4.026 4.334 -6.791 463 H LYS 61 H LYS 61 -1.814 7.313 -4.944 464 HA LYS 61 HA LYS 61 0.860 7.266 -5.936 465 HB2 LYS 61 HB2 LYS 61 -0.497 9.040 -3.859 466 HB3 LYS 61 HB3 LYS 61 1.226 9.150 -4.102 467 HG2 LYS 61 HG2 LYS 61 0.972 9.782 -6.432 468 HG3 LYS 61 HG3 LYS 61 -0.779 9.681 -6.304 469 HD2 LYS 61 HD2 LYS 61 -0.937 11.647 -5.028 470 HD3 LYS 61 HD3 LYS 61 0.587 11.351 -4.222 471 HE2 LYS 61 HE2 LYS 61 1.017 13.241 -5.470 472 HE3 LYS 61 HE3 LYS 61 1.820 11.943 -6.340 473 HZ1 LYS 61 HZ1 LYS 61 -0.776 13.189 -7.039 474 HZ2 LYS 61 HZ2 LYS 61 -0.069 11.976 -7.902 475 HZ3 LYS 61 HZ3 LYS 61 0.644 13.448 -7.791 476 H GLN 62 H GLN 62 -0.026 7.137 -2.456 477 HA GLN 62 HA GLN 62 2.629 6.408 -1.701 478 HB2 GLN 62 HB2 GLN 62 1.699 6.105 0.537 479 HB3 GLN 62 HB3 GLN 62 1.203 7.610 -0.209 480 HG2 GLN 62 HG2 GLN 62 -0.810 6.924 0.709 481 HG3 GLN 62 HG3 GLN 62 -0.957 6.330 -0.922 482 HE21 GLN 62 HE21 GLN 62 -1.955 4.294 -0.921 483 HE22 GLN 62 HE22 GLN 62 -1.597 3.054 0.276 484 H LEU 63 H LEU 63 -0.051 4.406 -2.812 485 HA LEU 63 HA LEU 63 0.760 2.017 -1.547 486 HB2 LEU 63 HB2 LEU 63 -1.399 2.410 -2.667 487 HB3 LEU 63 HB3 LEU 63 -0.605 2.389 -4.243 488 HG LEU 63 HG LEU 63 -0.095 0.032 -4.024 489 HD11 LEU 63 HD11 LEU 63 0.497 -0.231 -1.704 490 HD12 LEU 63 HD12 LEU 63 -0.869 -1.289 -2.059 491 HD13 LEU 63 HD13 LEU 63 -1.140 0.235 -1.182 492 HD21 LEU 63 HD21 LEU 63 -2.360 -0.871 -3.942 493 HD22 LEU 63 HD22 LEU 63 -2.445 0.746 -4.664 494 HD23 LEU 63 HD23 LEU 63 -2.925 0.509 -2.979 495 H ILE 64 H ILE 64 2.043 3.702 -4.376 496 HA ILE 64 HA ILE 64 3.737 1.594 -5.356 497 HB ILE 64 HB ILE 64 3.592 4.606 -5.694 498 HG12 ILE 64 HG12 ILE 64 3.045 2.198 -7.485 499 HG13 ILE 64 HG13 ILE 64 1.860 3.275 -6.739 500 HG21 ILE 64 HG21 ILE 64 5.277 4.665 -7.368 501 HG22 ILE 64 HG22 ILE 64 6.001 4.069 -5.893 502 HG23 ILE 64 HG23 ILE 64 5.604 2.936 -7.206 503 HD11 ILE 64 HD11 ILE 64 2.036 3.740 -9.096 504 HD12 ILE 64 HD12 ILE 64 2.612 5.129 -8.162 505 HD13 ILE 64 HD13 ILE 64 3.767 4.032 -8.970 506 H ALA 65 H ALA 65 4.100 4.036 -2.811 507 HA ALA 65 HA ALA 65 6.916 3.748 -2.410 508 HB1 ALA 65 HB1 ALA 65 4.890 4.541 -0.259 509 HB2 ALA 65 HB2 ALA 65 6.572 5.047 -0.449 510 HB3 ALA 65 HB3 ALA 65 5.321 5.619 -1.584 511 H LEU 66 H LEU 66 4.023 2.418 -0.789 512 HA LEU 66 HA LEU 66 5.469 0.774 1.077 513 HB2 LEU 66 HB2 LEU 66 2.596 0.507 0.082 514 HB3 LEU 66 HB3 LEU 66 3.320 -0.433 1.380 515 HG LEU 66 HG LEU 66 2.501 2.460 1.373 516 HD11 LEU 66 HD11 LEU 66 1.530 1.772 3.546 517 HD12 LEU 66 HD12 LEU 66 2.290 0.183 3.403 518 HD13 LEU 66 HD13 LEU 66 1.024 0.675 2.257 519 HD21 LEU 66 HD21 LEU 66 4.739 2.795 2.136 520 HD22 LEU 66 HD22 LEU 66 4.726 1.306 3.098 521 HD23 LEU 66 HD23 LEU 66 3.770 2.710 3.598 522 H ALA 67 H ALA 67 4.217 0.157 -2.198 523 HA ALA 67 HA ALA 67 4.639 -2.619 -2.231 524 HB1 ALA 67 HB1 ALA 67 4.784 -2.387 -4.668 525 HB2 ALA 67 HB2 ALA 67 3.465 -1.383 -4.004 526 HB3 ALA 67 HB3 ALA 67 4.993 -0.629 -4.512 527 H ALA 68 H ALA 68 6.958 0.052 -2.956 528 HA ALA 68 HA ALA 68 9.152 -1.696 -3.576 529 HB1 ALA 68 HB1 ALA 68 10.553 0.343 -3.198 530 HB2 ALA 68 HB2 ALA 68 9.204 0.612 -4.314 531 HB3 ALA 68 HB3 ALA 68 9.104 1.203 -2.641 532 H TYR 69 H TYR 69 8.088 -0.151 -0.532 533 HA TYR 69 HA TYR 69 10.284 -0.964 1.076 534 HB2 TYR 69 HB2 TYR 69 8.824 0.722 1.921 535 HB3 TYR 69 HB3 TYR 69 7.398 -0.276 1.679 536 HD1 TYR 69 HD1 TYR 69 10.094 0.547 4.040 537 HD2 TYR 69 HD2 TYR 69 6.922 -2.226 3.107 538 HE1 TYR 69 HE1 TYR 69 10.321 -0.458 6.275 539 HE2 TYR 69 HE2 TYR 69 7.095 -3.196 5.387 540 HH TYR 69 HH TYR 69 9.803 -2.496 7.488 541 H HIS 70 H HIS 70 7.246 -2.681 0.196 542 HA HIS 70 HA HIS 70 7.932 -4.948 1.890 543 HB2 HIS 70 HB2 HIS 70 5.688 -4.735 1.858 544 HB3 HIS 70 HB3 HIS 70 5.634 -4.054 0.234 545 HD1 HIS 70 HD1 HIS 70 4.802 -7.251 1.974 546 HD2 HIS 70 HD2 HIS 70 6.040 -5.909 -1.820 547 HE1 HIS 70 HE1 HIS 70 4.126 -9.043 0.291 548 H ALA 71 H ALA 71 8.248 -4.118 -1.580 549 HA ALA 71 HA ALA 71 8.723 -6.629 -2.619 550 HB1 ALA 71 HB1 ALA 71 8.458 -4.695 -4.046 551 HB2 ALA 71 HB2 ALA 71 9.955 -3.963 -3.417 552 HB3 ALA 71 HB3 ALA 71 10.029 -5.443 -4.388 553 H LYS 72 H LYS 72 11.110 -4.550 -0.921 554 HA LYS 72 HA LYS 72 13.298 -6.279 -1.575 555 HB2 LYS 72 HB2 LYS 72 14.578 -5.147 0.120 556 HB3 LYS 72 HB3 LYS 72 13.706 -3.965 -0.850 557 HG2 LYS 72 HG2 LYS 72 12.152 -3.538 0.930 558 HG3 LYS 72 HG3 LYS 72 12.645 -4.972 1.821 559 HD2 LYS 72 HD2 LYS 72 13.820 -3.536 3.061 560 HD3 LYS 72 HD3 LYS 72 15.040 -3.700 1.796 561 HE2 LYS 72 HE2 LYS 72 14.169 -1.638 0.698 562 HE3 LYS 72 HE3 LYS 72 12.865 -1.568 1.901 563 HZ1 LYS 72 HZ1 LYS 72 15.713 -1.075 2.306 564 HZ2 LYS 72 HZ2 LYS 72 14.735 -1.452 3.589 565 HZ3 LYS 72 HZ3 LYS 72 14.427 -0.116 2.670 566 H HIS 73 H HIS 73 10.655 -7.030 0.392 567 HA HIS 73 HA HIS 73 12.203 -9.040 1.936 568 HB2 HIS 73 HB2 HIS 73 9.605 -7.709 2.753 569 HB3 HIS 73 HB3 HIS 73 10.522 -8.886 3.675 570 HD1 HIS 73 HD1 HIS 73 9.737 -5.747 4.424 571 HD2 HIS 73 HD2 HIS 73 13.451 -7.495 3.459 572 HE1 HIS 73 HE1 HIS 73 11.546 -4.263 5.502 573 H CYS 74 H CYS 74 9.965 -8.510 -0.555 574 HA CYS 74 HA CYS 74 8.687 -11.179 -0.175 575 HB2 CYS 74 HB2 CYS 74 7.311 -8.853 -0.063 576 HB3 CYS 74 HB3 CYS 74 7.496 -8.975 -1.805 577 H GLN 75 H GLN 75 10.053 -12.382 -1.363 578 HA GLN 75 HA GLN 75 10.221 -11.818 -4.286 579 HB2 GLN 75 HB2 GLN 75 12.535 -12.538 -2.437 580 HB3 GLN 75 HB3 GLN 75 12.582 -12.716 -4.200 581 HG2 GLN 75 HG2 GLN 75 12.277 -10.292 -4.472 582 HG3 GLN 75 HG3 GLN 75 12.148 -10.076 -2.730 583 HE21 GLN 75 HE21 GLN 75 14.033 -10.142 -1.433 584 HE22 GLN 75 HE22 GLN 75 15.595 -9.841 -2.181 585 H GLU 76 H GLU 76 8.448 -13.254 -4.366 586 HA GLU 76 HA GLU 76 9.200 -16.041 -3.998 587 HB2 GLU 76 HB2 GLU 76 6.956 -16.585 -3.145 588 HB3 GLU 76 HB3 GLU 76 8.034 -15.792 -2.004 589 HG2 GLU 76 HG2 GLU 76 6.761 -13.681 -2.295 590 HG3 GLU 76 HG3 GLU 76 5.690 -14.493 -3.445 591 H ASN 77 H ASN 77 7.850 -17.529 -5.249 592 HA ASN 77 HA ASN 77 7.629 -16.513 -7.907 593 HB2 ASN 77 HB2 ASN 77 6.972 -18.636 -8.599 594 HB3 ASN 77 HB3 ASN 77 8.119 -18.908 -7.278 595 HD21 ASN 77 HD21 ASN 77 4.734 -19.179 -8.320 596 HD22 ASN 77 HD22 ASN 77 4.246 -20.183 -6.948 597 H LYS 78 H LYS 78 5.128 -16.619 -5.356 598 HA LYS 78 HA LYS 78 3.342 -15.401 -7.393 599 HB2 LYS 78 HB2 LYS 78 2.736 -17.820 -6.910 600 HB3 LYS 78 HB3 LYS 78 2.459 -17.362 -5.237 601 HG2 LYS 78 HG2 LYS 78 0.332 -17.435 -6.307 602 HG3 LYS 78 HG3 LYS 78 0.689 -15.731 -6.052 603 HD2 LYS 78 HD2 LYS 78 1.459 -15.592 -8.468 604 HD3 LYS 78 HD3 LYS 78 1.016 -17.283 -8.652 605 HE2 LYS 78 HE2 LYS 78 -0.750 -15.902 -9.535 606 HE3 LYS 78 HE3 LYS 78 -1.350 -16.731 -8.091 607 HZ1 LYS 78 HZ1 LYS 78 -0.314 -13.964 -8.044 608 HZ2 LYS 78 HZ2 LYS 78 -1.149 -14.711 -6.861 609 HZ3 LYS 78 HZ3 LYS 78 -1.911 -14.314 -8.254 610 H CYS 79 H CYS 79 4.680 -13.647 -6.345 611 HA CYS 79 HA CYS 79 4.338 -12.714 -3.803 612 HB2 CYS 79 HB2 CYS 79 5.176 -11.525 -6.315 613 HB3 CYS 79 HB3 CYS 79 4.142 -10.378 -5.457 614 HA PRO 80 HA PRO 80 -0.095 -12.205 -3.659 615 HB2 PRO 80 HB2 PRO 80 -0.376 -11.054 -1.172 616 HB3 PRO 80 HB3 PRO 80 0.048 -12.770 -1.453 617 HG2 PRO 80 HG2 PRO 80 1.942 -10.474 -0.871 618 HG3 PRO 80 HG3 PRO 80 1.867 -12.085 -0.088 619 HD2 PRO 80 HD2 PRO 80 3.605 -11.569 -2.099 620 HD3 PRO 80 HD3 PRO 80 2.789 -13.158 -1.983 621 H VAL 81 H VAL 81 1.942 -9.245 -3.081 622 HA VAL 81 HA VAL 81 -0.421 -7.586 -3.457 623 HB VAL 81 HB VAL 81 2.494 -6.793 -3.043 624 HG11 VAL 81 HG11 VAL 81 1.214 -4.997 -4.139 625 HG12 VAL 81 HG12 VAL 81 -0.070 -5.151 -2.916 626 HG13 VAL 81 HG13 VAL 81 1.556 -4.596 -2.461 627 HG21 VAL 81 HG21 VAL 81 1.687 -7.985 -1.115 628 HG22 VAL 81 HG22 VAL 81 1.721 -6.260 -0.750 629 HG23 VAL 81 HG23 VAL 81 0.172 -7.057 -1.118 630 HA PRO 82 HA PRO 82 0.429 -7.878 -7.870 631 HB2 PRO 82 HB2 PRO 82 -1.357 -6.011 -8.876 632 HB3 PRO 82 HB3 PRO 82 -1.782 -7.667 -8.347 633 HG2 PRO 82 HG2 PRO 82 -2.024 -5.080 -6.820 634 HG3 PRO 82 HG3 PRO 82 -3.216 -6.421 -6.937 635 HD2 PRO 82 HD2 PRO 82 -1.556 -6.117 -4.784 636 HD3 PRO 82 HD3 PRO 82 -2.031 -7.736 -5.393 637 H PHE 83 H PHE 83 1.102 -5.098 -5.939 638 HA PHE 83 HA PHE 83 2.293 -3.542 -8.170 639 HB2 PHE 83 HB2 PHE 83 2.057 -3.021 -5.181 640 HB3 PHE 83 HB3 PHE 83 3.092 -2.106 -6.254 641 HD1 PHE 83 HD1 PHE 83 -0.469 -3.168 -6.997 642 HD2 PHE 83 HD2 PHE 83 2.291 0.037 -6.076 643 HE1 PHE 83 HE1 PHE 83 -2.256 -1.500 -7.304 644 HE2 PHE 83 HE2 PHE 83 0.432 1.699 -6.392 645 HZ PHE 83 HZ PHE 83 -1.812 0.910 -6.932 646 H CYS 84 H CYS 84 3.357 -5.658 -5.367 647 HA CYS 84 HA CYS 84 6.134 -4.967 -5.731 648 HB2 CYS 84 HB2 CYS 84 6.543 -6.631 -4.097 649 HB3 CYS 84 HB3 CYS 84 5.105 -5.682 -3.604 650 H LEU 85 H LEU 85 4.016 -7.555 -6.650 651 HA LEU 85 HA LEU 85 5.634 -9.325 -8.011 652 HB2 LEU 85 HB2 LEU 85 3.144 -9.458 -7.574 653 HB3 LEU 85 HB3 LEU 85 2.886 -8.257 -8.840 654 HG LEU 85 HG LEU 85 3.932 -9.888 -10.486 655 HD11 LEU 85 HD11 LEU 85 3.940 -12.302 -9.734 656 HD12 LEU 85 HD12 LEU 85 3.691 -11.743 -8.064 657 HD13 LEU 85 HD13 LEU 85 5.167 -11.326 -8.948 658 HD21 LEU 85 HD21 LEU 85 1.553 -9.548 -10.402 659 HD22 LEU 85 HD22 LEU 85 1.377 -10.581 -8.975 660 HD23 LEU 85 HD23 LEU 85 1.832 -11.280 -10.553 661 H ASN 86 H ASN 86 4.360 -6.268 -9.067 662 HA ASN 86 HA ASN 86 5.305 -6.283 -11.803 663 HB2 ASN 86 HB2 ASN 86 3.250 -5.161 -10.947 664 HB3 ASN 86 HB3 ASN 86 4.243 -4.033 -10.055 665 HD21 ASN 86 HD21 ASN 86 4.464 -2.103 -11.056 666 HD22 ASN 86 HD22 ASN 86 4.119 -1.848 -12.757 667 H ILE 87 H ILE 87 6.685 -5.227 -8.715 668 HA ILE 87 HA ILE 87 8.779 -3.518 -9.874 669 HB ILE 87 HB ILE 87 8.170 -4.569 -7.072 670 HG12 ILE 87 HG12 ILE 87 8.353 -1.699 -8.069 671 HG13 ILE 87 HG13 ILE 87 6.865 -2.641 -8.128 672 HG21 ILE 87 HG21 ILE 87 10.598 -2.899 -7.847 673 HG22 ILE 87 HG22 ILE 87 10.044 -3.195 -6.183 674 HG23 ILE 87 HG23 ILE 87 10.603 -4.529 -7.148 675 HD11 ILE 87 HD11 ILE 87 8.368 -1.778 -5.654 676 HD12 ILE 87 HD12 ILE 87 6.733 -1.342 -6.157 677 HD13 ILE 87 HD13 ILE 87 7.068 -2.995 -5.624 678 H LYS 88 H LYS 88 8.431 -6.851 -8.560 679 HA LYS 88 HA LYS 88 11.079 -7.644 -8.565 680 HB2 LYS 88 HB2 LYS 88 9.136 -8.834 -7.619 681 HB3 LYS 88 HB3 LYS 88 8.611 -9.289 -9.238 682 HG2 LYS 88 HG2 LYS 88 11.430 -10.038 -8.728 683 HG3 LYS 88 HG3 LYS 88 10.390 -10.685 -7.493 684 HD2 LYS 88 HD2 LYS 88 9.952 -11.044 -10.491 685 HD3 LYS 88 HD3 LYS 88 10.731 -12.222 -9.433 686 HE2 LYS 88 HE2 LYS 88 7.815 -11.329 -9.354 687 HE3 LYS 88 HE3 LYS 88 8.454 -12.898 -9.840 688 HZ1 LYS 88 HZ1 LYS 88 7.699 -13.146 -7.650 689 HZ2 LYS 88 HZ2 LYS 88 8.439 -11.767 -7.111 690 HZ3 LYS 88 HZ3 LYS 88 9.322 -13.077 -7.507 691 H GLN 89 H GLN 89 9.063 -7.118 -11.358 692 HA GLN 89 HA GLN 89 10.658 -8.636 -13.251 693 HB2 GLN 89 HB2 GLN 89 8.514 -6.488 -13.507 694 HB3 GLN 89 HB3 GLN 89 9.204 -7.318 -14.894 695 HG2 GLN 89 HG2 GLN 89 7.987 -9.021 -12.698 696 HG3 GLN 89 HG3 GLN 89 6.933 -8.118 -13.763 697 HE21 GLN 89 HE21 GLN 89 9.615 -10.613 -13.862 698 HE22 GLN 89 HE22 GLN 89 8.965 -11.347 -15.287 699 H LYS 90 H LYS 90 11.688 -6.017 -11.498 700 HA LYS 90 HA LYS 90 13.175 -4.828 -13.781 701 HB2 LYS 90 HB2 LYS 90 12.336 -3.391 -11.225 702 HB3 LYS 90 HB3 LYS 90 13.179 -2.705 -12.612 703 HG2 LYS 90 HG2 LYS 90 10.301 -3.724 -12.585 704 HG3 LYS 90 HG3 LYS 90 10.847 -2.046 -12.561 705 HD2 LYS 90 HD2 LYS 90 11.862 -2.296 -14.798 706 HD3 LYS 90 HD3 LYS 90 11.373 -3.981 -14.845 707 HE2 LYS 90 HE2 LYS 90 9.826 -2.610 -16.123 708 HE3 LYS 90 HE3 LYS 90 9.010 -3.408 -14.777 709 HZ1 LYS 90 HZ1 LYS 90 8.745 -1.421 -13.719 710 HZ2 LYS 90 HZ2 LYS 90 8.657 -0.937 -15.302 711 HZ3 LYS 90 HZ3 LYS 90 10.032 -0.682 -14.411 712 H GLY 91 H GLY 91 13.305 -5.445 -10.206 713 HA2 GLY 91 HA2 GLY 91 15.078 -6.134 -8.928 714 HA3 GLY 91 HA3 GLY 91 15.958 -6.474 -10.408 715 H THR 92 H THR 92 15.220 -3.238 -10.787 716 HA THR 92 HA THR 92 17.862 -2.383 -9.965 717 HB THR 92 HB THR 92 17.025 -0.326 -11.204 718 HG1 THR 92 HG1 THR 92 15.037 -0.239 -11.794 719 HG21 THR 92 HG21 THR 92 17.074 -1.349 -13.412 720 HG22 THR 92 HG22 THR 92 16.639 -2.931 -12.748 721 HG23 THR 92 HG23 THR 92 18.215 -2.206 -12.379 722 H ILE 93 H ILE 93 14.537 -1.860 -8.874 723 HA ILE 93 HA ILE 93 14.992 0.546 -7.406 724 HB ILE 93 HB ILE 93 12.858 -1.574 -6.941 725 HG12 ILE 93 HG12 ILE 93 12.746 -1.044 -9.287 726 HG13 ILE 93 HG13 ILE 93 11.409 -0.272 -8.464 727 HG21 ILE 93 HG21 ILE 93 12.902 1.395 -6.256 728 HG22 ILE 93 HG22 ILE 93 11.425 0.398 -6.261 729 HG23 ILE 93 HG23 ILE 93 12.729 0.019 -5.151 730 HD11 ILE 93 HD11 ILE 93 12.616 1.920 -8.550 731 HD12 ILE 93 HD12 ILE 93 13.941 1.127 -9.431 732 HD13 ILE 93 HD13 ILE 93 12.332 1.217 -10.153 733 H GLU 94 H GLU 94 16.056 -2.623 -6.718 734 HA GLU 94 HA GLU 94 16.176 -2.239 -3.789 735 HB2 GLU 94 HB2 GLU 94 16.644 -4.544 -5.687 736 HB3 GLU 94 HB3 GLU 94 17.127 -4.591 -3.984 737 HG2 GLU 94 HG2 GLU 94 14.767 -4.077 -3.317 738 HG3 GLU 94 HG3 GLU 94 14.296 -4.101 -5.018 739 H GLY 95 H GLY 95 17.667 -0.491 -3.658 740 HA2 GLY 95 HA2 GLY 95 20.229 -0.914 -3.068 741 HA3 GLY 95 HA3 GLY 95 20.349 -0.759 -4.832 742 H ARG 96 H ARG 96 19.938 1.247 -5.814 743 HA ARG 96 HA ARG 96 19.936 3.580 -4.005 744 HB2 ARG 96 HB2 ARG 96 20.294 3.334 -7.021 745 HB3 ARG 96 HB3 ARG 96 20.434 4.835 -6.083 746 HG2 ARG 96 HG2 ARG 96 22.243 3.849 -4.718 747 HG3 ARG 96 HG3 ARG 96 22.114 2.328 -5.581 748 HD2 ARG 96 HD2 ARG 96 24.014 3.410 -6.416 749 HD3 ARG 96 HD3 ARG 96 22.789 3.449 -7.683 750 HE ARG 96 HE ARG 96 22.831 5.716 -7.657 751 HH11 ARG 96 HH11 ARG 96 24.087 4.881 -4.367 752 HH12 ARG 96 HH12 ARG 96 24.930 6.401 -4.294 753 HH21 ARG 96 HH21 ARG 96 24.031 7.638 -7.384 754 HH22 ARG 96 HH22 ARG 96 24.845 7.931 -5.874 755 H GLY 97 H GLY 97 17.679 2.482 -3.444 756 HA2 GLY 97 HA2 GLY 97 15.548 4.030 -4.818 757 HA3 GLY 97 HA3 GLY 97 15.346 2.311 -4.430 758 H ASN 98 H ASN 98 13.535 3.116 -3.252 759 HA ASN 98 HA ASN 98 12.332 3.447 -1.401 760 HB2 ASN 98 HB2 ASN 98 14.842 3.362 0.283 761 HB3 ASN 98 HB3 ASN 98 13.178 3.183 0.835 762 HD21 ASN 98 HD21 ASN 98 12.004 1.211 -0.677 763 HD22 ASN 98 HD22 ASN 98 13.091 -0.153 -0.912 764 H GLU 99 H GLU 99 12.501 5.569 -2.805 765 HA GLU 99 HA GLU 99 13.041 7.790 -0.914 766 HB2 GLU 99 HB2 GLU 99 13.933 7.647 -3.820 767 HB3 GLU 99 HB3 GLU 99 13.920 9.125 -2.831 768 HG2 GLU 99 HG2 GLU 99 15.482 8.107 -1.217 769 HG3 GLU 99 HG3 GLU 99 15.445 6.582 -2.107 770 H PHE 100 H PHE 100 10.991 8.285 -0.460 771 HA PHE 100 HA PHE 100 9.175 9.147 -2.494 772 HB2 PHE 100 HB2 PHE 100 8.817 6.632 -2.493 773 HB3 PHE 100 HB3 PHE 100 8.328 6.731 -0.821 774 HD1 PHE 100 HD1 PHE 100 7.226 6.734 -4.167 775 HD2 PHE 100 HD2 PHE 100 6.329 8.510 -0.318 776 HE1 PHE 100 HE1 PHE 100 4.936 7.254 -4.912 777 HE2 PHE 100 HE2 PHE 100 4.086 9.080 -1.114 778 HZ PHE 100 HZ PHE 100 3.369 8.491 -3.413 779 H LEU 101 H LEU 101 8.499 10.951 -1.521 780 HA LEU 101 HA LEU 101 8.736 11.415 1.327 781 HB2 LEU 101 HB2 LEU 101 7.768 13.029 -1.057 782 HB3 LEU 101 HB3 LEU 101 7.518 13.579 0.593 783 HG LEU 101 HG LEU 101 9.913 13.509 1.073 784 HD11 LEU 101 HD11 LEU 101 10.838 11.819 -0.383 785 HD12 LEU 101 HD12 LEU 101 11.564 13.351 -0.831 786 HD13 LEU 101 HD13 LEU 101 10.265 12.673 -1.842 787 HD21 LEU 101 HD21 LEU 101 10.500 15.489 -0.180 788 HD22 LEU 101 HD22 LEU 101 8.733 15.541 0.009 789 HD23 LEU 101 HD23 LEU 101 9.436 15.017 -1.518 790 H SER 102 H SER 102 7.327 10.610 2.732 791 HA SER 102 HA SER 102 4.479 10.213 1.979 792 HB2 SER 102 HB2 SER 102 4.578 8.672 4.027 793 HB3 SER 102 HB3 SER 102 5.368 8.147 2.532 794 HG SER 102 HG SER 102 6.765 7.764 4.194 795 HA PRO 103 HA PRO 103 4.312 13.697 4.986 796 HB2 PRO 103 HB2 PRO 103 2.149 14.998 3.998 797 HB3 PRO 103 HB3 PRO 103 3.710 15.025 3.129 798 HG2 PRO 103 HG2 PRO 103 1.328 13.205 2.633 799 HG3 PRO 103 HG3 PRO 103 2.215 14.205 1.437 800 HD2 PRO 103 HD2 PRO 103 2.768 11.549 1.860 801 HD3 PRO 103 HD3 PRO 103 4.042 12.731 1.426 802 H GLU 104 H GLU 104 2.172 14.424 6.356 803 HA GLU 104 HA GLU 104 1.275 12.241 7.853 804 HB2 GLU 104 HB2 GLU 104 -0.044 14.937 7.413 805 HB3 GLU 104 HB3 GLU 104 -0.610 13.751 8.592 806 HG2 GLU 104 HG2 GLU 104 1.607 13.810 9.716 807 HG3 GLU 104 HG3 GLU 104 2.134 15.084 8.610 808 H VAL 105 H VAL 105 -0.171 13.532 4.878 809 HA VAL 105 HA VAL 105 -2.689 12.367 5.016 810 HB VAL 105 HB VAL 105 -0.967 12.838 2.562 811 HG11 VAL 105 HG11 VAL 105 -3.975 12.384 2.784 812 HG12 VAL 105 HG12 VAL 105 -3.129 12.958 1.325 813 HG13 VAL 105 HG13 VAL 105 -2.811 11.334 1.941 814 HG21 VAL 105 HG21 VAL 105 -1.362 14.901 3.831 815 HG22 VAL 105 HG22 VAL 105 -2.420 14.909 2.426 816 HG23 VAL 105 HG23 VAL 105 -3.082 14.501 4.013 817 H PHE 106 H PHE 106 0.401 10.707 4.602 818 HA PHE 106 HA PHE 106 -0.427 8.298 3.416 819 HB2 PHE 106 HB2 PHE 106 1.908 8.752 3.882 820 HB3 PHE 106 HB3 PHE 106 1.598 8.917 5.609 821 HD1 PHE 106 HD1 PHE 106 1.586 6.423 2.804 822 HD2 PHE 106 HD2 PHE 106 1.591 7.029 7.077 823 HE1 PHE 106 HE1 PHE 106 1.909 4.026 3.145 824 HE2 PHE 106 HE2 PHE 106 1.877 4.584 7.407 825 HZ PHE 106 HZ PHE 106 2.072 3.082 5.471 826 H GLN 107 H GLN 107 -0.741 9.368 6.844 827 HA GLN 107 HA GLN 107 -1.844 6.841 7.731 828 HB2 GLN 107 HB2 GLN 107 -1.647 9.603 8.959 829 HB3 GLN 107 HB3 GLN 107 -2.467 8.260 9.774 830 HG2 GLN 107 HG2 GLN 107 -0.443 6.916 9.784 831 HG3 GLN 107 HG3 GLN 107 0.408 8.064 8.767 832 HE21 GLN 107 HE21 GLN 107 -1.511 8.256 11.888 833 HE22 GLN 107 HE22 GLN 107 -0.372 9.330 12.653 834 H HIS 108 H HIS 108 -3.232 9.701 6.219 835 HA HIS 108 HA HIS 108 -5.922 9.341 7.151 836 HB2 HIS 108 HB2 HIS 108 -4.946 10.569 4.529 837 HB3 HIS 108 HB3 HIS 108 -6.579 10.586 5.115 838 HD1 HIS 108 HD1 HIS 108 -6.902 13.101 5.405 839 HD2 HIS 108 HD2 HIS 108 -3.485 11.572 7.360 840 HE1 HIS 108 HE1 HIS 108 -5.929 15.002 6.750 841 H ILE 109 H ILE 109 -4.036 7.841 4.499 842 HA ILE 109 HA ILE 109 -6.229 6.638 3.137 843 HB ILE 109 HB ILE 109 -3.325 5.803 3.354 844 HG12 ILE 109 HG12 ILE 109 -3.288 6.374 0.910 845 HG13 ILE 109 HG13 ILE 109 -4.949 6.973 1.034 846 HG21 ILE 109 HG21 ILE 109 -4.555 3.759 2.930 847 HG22 ILE 109 HG22 ILE 109 -5.401 4.535 1.565 848 HG23 ILE 109 HG23 ILE 109 -3.648 4.245 1.514 849 HD11 ILE 109 HD11 ILE 109 -2.581 8.069 2.576 850 HD12 ILE 109 HD12 ILE 109 -3.131 8.696 1.023 851 HD13 ILE 109 HD13 ILE 109 -4.213 8.813 2.412 852 H TRP 110 H TRP 110 -4.438 5.723 6.109 853 HA TRP 110 HA TRP 110 -5.798 3.165 6.147 854 HB2 TRP 110 HB2 TRP 110 -4.030 4.326 8.281 855 HB3 TRP 110 HB3 TRP 110 -4.503 2.638 8.049 856 HD1 TRP 110 HD1 TRP 110 -1.629 4.692 7.513 857 HE1 TRP 110 HE1 TRP 110 -0.226 4.117 5.466 858 HE3 TRP 110 HE3 TRP 110 -4.856 1.483 5.180 859 HZ2 TRP 110 HZ2 TRP 110 -0.513 2.574 3.048 860 HZ3 TRP 110 HZ3 TRP 110 -4.256 0.465 2.994 861 HH2 TRP 110 HH2 TRP 110 -2.079 1.017 1.904 862 H ASP 111 H ASP 111 -6.566 6.326 7.289 863 HA ASP 111 HA ASP 111 -8.391 5.335 9.410 864 HB2 ASP 111 HB2 ASP 111 -7.267 7.470 9.828 865 HB3 ASP 111 HB3 ASP 111 -7.922 8.129 8.316 866 H PHE 112 H PHE 112 -8.709 7.121 6.336 867 HA PHE 112 HA PHE 112 -11.483 6.871 6.310 868 HB2 PHE 112 HB2 PHE 112 -11.506 8.009 4.380 869 HB3 PHE 112 HB3 PHE 112 -9.830 8.320 4.793 870 HD1 PHE 112 HD1 PHE 112 -11.943 7.330 2.125 871 HD2 PHE 112 HD2 PHE 112 -8.232 6.293 4.007 872 HE1 PHE 112 HE1 PHE 112 -11.320 6.002 0.146 873 HE2 PHE 112 HE2 PHE 112 -7.552 4.998 2.009 874 HZ PHE 112 HZ PHE 112 -9.141 4.787 0.086 875 H LEU 113 H LEU 113 -9.186 4.358 5.616 876 HA LEU 113 HA LEU 113 -10.689 2.898 3.731 877 HB2 LEU 113 HB2 LEU 113 -9.230 1.196 3.965 878 HB3 LEU 113 HB3 LEU 113 -8.285 2.510 4.613 879 HG LEU 113 HG LEU 113 -9.235 1.626 6.952 880 HD11 LEU 113 HD11 LEU 113 -10.700 -0.156 5.846 881 HD12 LEU 113 HD12 LEU 113 -9.514 -0.829 6.964 882 HD13 LEU 113 HD13 LEU 113 -9.244 -0.911 5.215 883 HD21 LEU 113 HD21 LEU 113 -6.936 1.562 6.730 884 HD22 LEU 113 HD22 LEU 113 -6.973 0.596 5.264 885 HD23 LEU 113 HD23 LEU 113 -7.272 -0.140 6.862 886 H GLU 114 H GLU 114 -11.168 3.251 7.230 887 HA GLU 114 HA GLU 114 -13.293 1.193 7.175 888 HB2 GLU 114 HB2 GLU 114 -12.042 2.709 9.503 889 HB3 GLU 114 HB3 GLU 114 -13.316 1.486 9.611 890 HG2 GLU 114 HG2 GLU 114 -11.662 -0.034 8.265 891 HG3 GLU 114 HG3 GLU 114 -10.431 1.123 8.783 892 H GLN 115 H GLN 115 -13.086 4.475 6.564 893 HA GLN 115 HA GLN 115 -15.700 5.213 7.717 894 HB2 GLN 115 HB2 GLN 115 -13.576 6.723 6.159 895 HB3 GLN 115 HB3 GLN 115 -15.088 7.443 6.624 896 HG2 GLN 115 HG2 GLN 115 -14.551 6.799 9.033 897 HG3 GLN 115 HG3 GLN 115 -12.906 6.452 8.474 898 HE21 GLN 115 HE21 GLN 115 -15.041 8.936 9.570 899 HE22 GLN 115 HE22 GLN 115 -14.023 10.287 9.085 900 HA PRO 116 HA PRO 116 -17.781 4.800 3.742 901 HB2 PRO 116 HB2 PRO 116 -20.061 6.074 4.245 902 HB3 PRO 116 HB3 PRO 116 -19.480 4.853 5.400 903 HG2 PRO 116 HG2 PRO 116 -19.244 7.868 5.575 904 HG3 PRO 116 HG3 PRO 116 -19.735 6.696 6.845 905 HD2 PRO 116 HD2 PRO 116 -17.124 7.703 6.365 906 HD3 PRO 116 HD3 PRO 116 -17.545 6.305 7.399 907 H ILE 117 H ILE 117 -15.693 6.580 3.145 908 HA ILE 117 HA ILE 117 -16.996 8.734 1.517 909 HB ILE 117 HB ILE 117 -14.136 8.720 2.546 910 HG12 ILE 117 HG12 ILE 117 -16.436 10.192 3.908 911 HG13 ILE 117 HG13 ILE 117 -15.726 8.706 4.531 912 HG21 ILE 117 HG21 ILE 117 -14.627 10.198 0.617 913 HG22 ILE 117 HG22 ILE 117 -15.875 11.011 1.589 914 HG23 ILE 117 HG23 ILE 117 -14.169 11.103 2.050 915 HD11 ILE 117 HD11 ILE 117 -14.726 10.447 5.744 916 HD12 ILE 117 HD12 ILE 117 -13.496 9.822 4.644 917 HD13 ILE 117 HD13 ILE 117 -14.315 11.365 4.282 918 H SER 118 H SER 118 -16.270 8.851 -0.757 919 HA SER 118 HA SER 118 -14.130 6.996 -1.527 920 HB2 SER 118 HB2 SER 118 -15.420 5.731 -3.164 921 HB3 SER 118 HB3 SER 118 -15.920 5.410 -1.507 922 HG SER 118 HG SER 118 -17.628 5.634 -3.017 923 H SER 119 H SER 119 -15.809 9.930 -2.183 924 HA SER 119 HA SER 119 -14.954 10.025 -4.978 925 HB2 SER 119 HB2 SER 119 -17.058 11.078 -3.983 926 HB3 SER 119 HB3 SER 119 -15.985 12.322 -3.302 927 HG SER 119 HG SER 119 -16.726 13.002 -5.298 928 H VAL 120 H VAL 120 -12.716 9.376 -4.193 929 HA VAL 120 HA VAL 120 -11.129 11.439 -2.875 930 HB VAL 120 HB VAL 120 -10.838 9.121 -2.351 931 HG11 VAL 120 HG11 VAL 120 -11.132 8.329 -4.862 932 HG12 VAL 120 HG12 VAL 120 -9.372 8.483 -4.879 933 HG13 VAL 120 HG13 VAL 120 -10.159 7.413 -3.704 934 HG21 VAL 120 HG21 VAL 120 -8.413 9.073 -2.307 935 HG22 VAL 120 HG22 VAL 120 -8.345 10.272 -3.611 936 HG23 VAL 120 HG23 VAL 120 -8.995 10.725 -2.023 937 H GLN 121 H GLN 121 -11.800 13.021 -4.433 938 HA GLN 121 HA GLN 121 -9.981 13.210 -6.787 939 HB2 GLN 121 HB2 GLN 121 -11.826 14.598 -7.826 940 HB3 GLN 121 HB3 GLN 121 -12.122 12.864 -7.712 941 HG2 GLN 121 HG2 GLN 121 -13.660 13.079 -5.937 942 HG3 GLN 121 HG3 GLN 121 -13.128 14.716 -5.544 943 HE21 GLN 121 HE21 GLN 121 -15.056 15.801 -5.742 944 HE22 GLN 121 HE22 GLN 121 -16.041 15.801 -7.209 945 HA PRO 122 HA PRO 122 -9.366 16.711 -3.743 946 HB2 PRO 122 HB2 PRO 122 -6.657 16.454 -3.387 947 HB3 PRO 122 HB3 PRO 122 -7.859 15.587 -2.395 948 HG2 PRO 122 HG2 PRO 122 -6.313 14.575 -4.790 949 HG3 PRO 122 HG3 PRO 122 -6.601 13.756 -3.213 950 HD2 PRO 122 HD2 PRO 122 -8.104 13.221 -5.414 951 HD3 PRO 122 HD3 PRO 122 -8.806 13.221 -3.772 952 H ILE 123 H ILE 123 -8.616 18.729 -4.402 953 HA ILE 123 HA ILE 123 -7.225 18.953 -6.960 954 HB ILE 123 HB ILE 123 -8.565 20.699 -7.677 955 HG12 ILE 123 HG12 ILE 123 -10.330 20.561 -5.208 956 HG13 ILE 123 HG13 ILE 123 -9.047 21.754 -5.467 957 HG21 ILE 123 HG21 ILE 123 -10.636 19.595 -8.214 958 HG22 ILE 123 HG22 ILE 123 -9.431 18.327 -8.029 959 HG23 ILE 123 HG23 ILE 123 -10.587 18.627 -6.726 960 HD11 ILE 123 HD11 ILE 123 -11.078 22.798 -6.087 961 HD12 ILE 123 HD12 ILE 123 -10.200 22.455 -7.586 962 HD13 ILE 123 HD13 ILE 123 -11.571 21.430 -7.104 963 H ASP 124 H ASP 124 -6.082 21.015 -7.113 964 HA ASP 124 HA ASP 124 -4.571 21.377 -4.637 965 HB2 ASP 124 HB2 ASP 124 -4.170 22.644 -7.364 966 HB3 ASP 124 HB3 ASP 124 -3.023 22.588 -6.016
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