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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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652951 |
6trm ![]() ![]() |
34468 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 0.707 -0.371 0.225 2 HA ASP 1 HA ASP 1 1.586 0.381 -1.876 3 HB2 ASP 1 HB2 ASP 1 4.326 0.581 -0.696 4 HB3 ASP 1 HB3 ASP 1 3.636 1.433 -2.075 5 H THR 2 H THR 2 1.710 -2.118 0.009 6 HA THR 2 HA THR 2 3.842 -3.739 -0.774 7 HB THR 2 HB THR 2 1.847 -5.566 -0.452 8 HG1 THR 2 HG1 THR 2 0.680 -4.465 1.425 9 HG21 THR 2 HG21 THR 2 2.558 -4.746 2.155 10 HG22 THR 2 HG22 THR 2 3.946 -4.416 1.118 11 HG23 THR 2 HG23 THR 2 3.269 -6.042 1.195 12 H CYS 3 H CYS 3 0.953 -2.829 -2.463 13 HA CYS 3 HA CYS 3 1.915 -3.830 -4.933 14 HB2 CYS 3 HB2 CYS 3 1.076 -5.937 -3.762 15 HB3 CYS 3 HB3 CYS 3 -0.542 -5.262 -3.926 16 H GLY 4 H GLY 4 0.720 -1.448 -3.606 17 HA2 GLY 4 HA2 GLY 4 -0.680 0.283 -4.163 18 HA3 GLY 4 HA3 GLY 4 -0.705 -0.413 -5.776 19 H GLY 5 H GLY 5 -1.785 -2.455 -3.242 20 HA2 GLY 5 HA2 GLY 5 -4.091 -2.422 -2.376 21 HA3 GLY 5 HA3 GLY 5 -4.588 -1.855 -3.963 22 H GLY 6 H GLY 6 -4.761 -4.436 -2.059 23 HA2 GLY 6 HA2 GLY 6 -5.537 -6.561 -2.594 24 HA3 GLY 6 HA3 GLY 6 -5.217 -6.221 -4.288 25 H TYR 7 H TYR 7 -2.715 -5.692 -1.954 26 HA TYR 7 HA TYR 7 -0.914 -7.414 -3.280 27 HB2 TYR 7 HB2 TYR 7 0.676 -6.779 -1.651 28 HB3 TYR 7 HB3 TYR 7 -0.366 -5.374 -1.845 29 HD1 TYR 7 HD1 TYR 7 -2.298 -5.120 -0.142 30 HD2 TYR 7 HD2 TYR 7 1.063 -7.655 0.471 31 HE1 TYR 7 HE1 TYR 7 -2.737 -5.106 2.278 32 HE2 TYR 7 HE2 TYR 7 0.633 -7.650 2.892 33 HH TYR 7 HH TYR 7 -1.797 -7.169 4.329 34 H GLY 8 H GLY 8 0.040 -9.365 -2.585 35 HA2 GLY 8 HA2 GLY 8 -1.816 -11.118 -1.218 36 HA3 GLY 8 HA3 GLY 8 -0.314 -11.589 -1.999 37 H VAL 9 H VAL 9 -0.378 -12.928 0.083 38 HA VAL 9 HA VAL 9 0.321 -11.561 2.514 39 HB VAL 9 HB VAL 9 0.695 -13.821 3.434 40 HG11 VAL 9 HG11 VAL 9 -1.857 -13.370 1.899 41 HG12 VAL 9 HG12 VAL 9 -1.649 -14.652 3.093 42 HG13 VAL 9 HG13 VAL 9 -1.522 -12.962 3.581 43 HG21 VAL 9 HG21 VAL 9 0.153 -15.782 2.029 44 HG22 VAL 9 HG22 VAL 9 0.073 -14.722 0.622 45 HG23 VAL 9 HG23 VAL 9 1.597 -14.928 1.485 46 H ASP 10 H ASP 10 2.031 -13.259 -0.043 47 HA ASP 10 HA ASP 10 4.576 -12.526 1.251 48 HB2 ASP 10 HB2 ASP 10 4.163 -14.988 1.065 49 HB3 ASP 10 HB3 ASP 10 4.128 -14.804 -0.686 50 H GLN 11 H GLN 11 2.776 -11.080 -0.702 51 HA GLN 11 HA GLN 11 4.688 -10.783 -2.919 52 HB2 GLN 11 HB2 GLN 11 1.827 -9.825 -2.861 53 HB3 GLN 11 HB3 GLN 11 2.893 -9.929 -4.256 54 HG2 GLN 11 HG2 GLN 11 2.938 -12.476 -3.632 55 HG3 GLN 11 HG3 GLN 11 1.419 -12.080 -2.829 56 HE21 GLN 11 HE21 GLN 11 2.311 -13.580 -5.370 57 HE22 GLN 11 HE22 GLN 11 1.207 -13.007 -6.569 58 H ARG 12 H ARG 12 5.647 -8.858 -3.310 59 HA ARG 12 HA ARG 12 4.791 -6.536 -1.725 60 HB2 ARG 12 HB2 ARG 12 7.577 -7.655 -1.987 61 HB3 ARG 12 HB3 ARG 12 7.278 -5.989 -1.510 62 HG2 ARG 12 HG2 ARG 12 6.071 -8.314 -0.047 63 HG3 ARG 12 HG3 ARG 12 7.665 -7.668 0.346 64 HD2 ARG 12 HD2 ARG 12 6.770 -5.569 0.956 65 HD3 ARG 12 HD3 ARG 12 5.209 -5.940 0.227 66 HE ARG 12 HE ARG 12 5.408 -7.825 2.127 67 HH11 ARG 12 HH11 ARG 12 5.883 -4.377 2.200 68 HH12 ARG 12 HH12 ARG 12 5.389 -4.213 3.852 69 HH21 ARG 12 HH21 ARG 12 4.755 -7.622 4.303 70 HH22 ARG 12 HH22 ARG 12 4.748 -6.059 5.048 71 H ARG 13 H ARG 13 5.636 -4.471 -2.569 72 HA ARG 13 HA ARG 13 5.542 -4.490 -5.481 73 HB2 ARG 13 HB2 ARG 13 4.118 -2.954 -4.047 74 HB3 ARG 13 HB3 ARG 13 5.596 -2.080 -3.668 75 HG2 ARG 13 HG2 ARG 13 4.961 -0.820 -5.417 76 HG3 ARG 13 HG3 ARG 13 5.757 -2.093 -6.345 77 HD2 ARG 13 HD2 ARG 13 3.322 -3.180 -6.117 78 HD3 ARG 13 HD3 ARG 13 2.879 -1.475 -6.033 79 HE ARG 13 HE ARG 13 4.623 -1.858 -8.198 80 HH11 ARG 13 HH11 ARG 13 1.379 -2.638 -7.202 81 HH12 ARG 13 HH12 ARG 13 0.757 -2.695 -8.818 82 HH21 ARG 13 HH21 ARG 13 3.816 -1.930 -10.330 83 HH22 ARG 13 HH22 ARG 13 2.144 -2.293 -10.597 84 H THR 14 H THR 14 7.196 -3.948 -6.791 85 HA THR 14 HA THR 14 9.843 -3.940 -5.747 86 HB THR 14 HB THR 14 9.063 -3.133 -8.548 87 HG1 THR 14 HG1 THR 14 8.086 -5.095 -8.280 88 HG21 THR 14 HG21 THR 14 11.352 -4.748 -8.510 89 HG22 THR 14 HG22 THR 14 11.548 -3.616 -7.172 90 HG23 THR 14 HG23 THR 14 11.274 -3.012 -8.805 91 H ASN 15 H ASN 15 11.386 -2.289 -5.752 92 HA ASN 15 HA ASN 15 12.190 -0.176 -5.498 93 HB2 ASN 15 HB2 ASN 15 10.124 0.122 -7.593 94 HB3 ASN 15 HB3 ASN 15 10.593 1.606 -6.770 95 HD21 ASN 15 HD21 ASN 15 12.301 -1.298 -7.892 96 HD22 ASN 15 HD22 ASN 15 13.520 -0.445 -8.771 97 H SER 16 H SER 16 9.978 -1.335 -3.793 98 HA SER 16 HA SER 16 8.912 1.174 -2.684 99 HB2 SER 16 HB2 SER 16 6.957 0.115 -2.385 100 HB3 SER 16 HB3 SER 16 7.623 -1.238 -3.299 101 HG SER 16 HG SER 16 7.346 -0.909 -0.538 102 HA PRO 17 HA PRO 17 11.356 0.779 0.941 103 HB2 PRO 17 HB2 PRO 17 9.696 1.853 2.801 104 HB3 PRO 17 HB3 PRO 17 10.521 2.824 1.576 105 HG2 PRO 17 HG2 PRO 17 7.704 1.810 1.608 106 HG3 PRO 17 HG3 PRO 17 8.313 3.407 1.135 107 HD2 PRO 17 HD2 PRO 17 7.660 1.502 -0.675 108 HD3 PRO 17 HD3 PRO 17 8.957 2.681 -0.956 109 H CYS 18 H CYS 18 11.793 -0.786 2.379 110 HA CYS 18 HA CYS 18 9.567 -2.490 3.290 111 HB2 CYS 18 HB2 CYS 18 11.210 -4.363 3.341 112 HB3 CYS 18 HB3 CYS 18 10.920 -3.734 1.723 113 H GLN 19 H GLN 19 10.183 -3.766 5.307 114 HA GLN 19 HA GLN 19 11.075 -1.870 7.294 115 HB2 GLN 19 HB2 GLN 19 9.587 -4.403 7.265 116 HB3 GLN 19 HB3 GLN 19 10.647 -4.207 8.654 117 HG2 GLN 19 HG2 GLN 19 8.467 -2.324 7.785 118 HG3 GLN 19 HG3 GLN 19 8.431 -3.412 9.172 119 HE21 GLN 19 HE21 GLN 19 9.934 -3.012 10.901 120 HE22 GLN 19 HE22 GLN 19 10.478 -1.402 11.209 121 H ALA 20 H ALA 20 12.562 -2.637 9.062 122 HA ALA 20 HA ALA 20 15.077 -3.301 7.960 123 HB1 ALA 20 HB1 ALA 20 14.257 -3.343 10.861 124 HB2 ALA 20 HB2 ALA 20 15.902 -3.247 10.231 125 HB3 ALA 20 HB3 ALA 20 14.780 -1.910 9.975 126 H SER 21 H SER 21 12.697 -5.169 9.792 127 HA SER 21 HA SER 21 14.302 -7.502 10.033 128 HB2 SER 21 HB2 SER 21 12.489 -8.458 11.099 129 HB3 SER 21 HB3 SER 21 12.113 -6.748 11.312 130 HG SER 21 HG SER 21 10.281 -7.485 10.476 131 H ASN 22 H ASN 22 12.256 -6.229 7.546 132 HA ASN 22 HA ASN 22 11.691 -8.602 6.143 133 HB2 ASN 22 HB2 ASN 22 11.660 -5.696 5.521 134 HB3 ASN 22 HB3 ASN 22 11.697 -6.802 4.151 135 HD21 ASN 22 HD21 ASN 22 10.165 -8.847 4.863 136 HD22 ASN 22 HD22 ASN 22 8.548 -8.337 5.195 137 H GLY 23 H GLY 23 14.586 -6.805 6.502 138 HA2 GLY 23 HA2 GLY 23 15.883 -7.393 4.075 139 HA3 GLY 23 HA3 GLY 23 16.683 -7.033 5.598 140 H ASP 24 H ASP 24 14.996 -9.451 6.634 141 HA ASP 24 HA ASP 24 16.925 -11.486 5.729 142 HB2 ASP 24 HB2 ASP 24 17.044 -10.780 8.148 143 HB3 ASP 24 HB3 ASP 24 15.435 -11.464 8.357 144 H ARG 25 H ARG 25 14.413 -10.842 4.424 145 HA ARG 25 HA ARG 25 13.239 -13.511 4.495 146 HB2 ARG 25 HB2 ARG 25 11.392 -11.145 4.475 147 HB3 ARG 25 HB3 ARG 25 11.031 -12.826 4.843 148 HG2 ARG 25 HG2 ARG 25 12.357 -12.599 6.928 149 HG3 ARG 25 HG3 ARG 25 12.543 -10.881 6.569 150 HD2 ARG 25 HD2 ARG 25 10.519 -10.423 7.372 151 HD3 ARG 25 HD3 ARG 25 9.780 -11.680 6.381 152 HE ARG 25 HE ARG 25 11.066 -12.896 8.550 153 HH11 ARG 25 HH11 ARG 25 8.346 -10.827 7.889 154 HH12 ARG 25 HH12 ARG 25 7.430 -11.376 9.253 155 HH21 ARG 25 HH21 ARG 25 9.871 -13.627 10.350 156 HH22 ARG 25 HH22 ARG 25 8.299 -12.968 10.653 157 H HIS 26 H HIS 26 11.922 -13.981 2.607 158 HA HIS 26 HA HIS 26 12.618 -12.269 0.310 159 HB2 HIS 26 HB2 HIS 26 12.454 -15.272 0.530 160 HB3 HIS 26 HB3 HIS 26 12.421 -14.443 -1.023 161 HD1 HIS 26 HD1 HIS 26 14.699 -16.305 -0.643 162 HD2 HIS 26 HD2 HIS 26 14.860 -12.350 0.617 163 HE1 HIS 26 HE1 HIS 26 17.146 -15.744 -0.500 164 H PHE 27 H PHE 27 11.049 -11.802 -1.183 165 HA PHE 27 HA PHE 27 8.367 -12.911 -0.726 166 HB2 PHE 27 HB2 PHE 27 9.175 -10.022 -0.817 167 HB3 PHE 27 HB3 PHE 27 7.560 -10.506 -1.325 168 HD1 PHE 27 HD1 PHE 27 5.896 -10.469 0.249 169 HD2 PHE 27 HD2 PHE 27 9.916 -11.057 1.517 170 HE1 PHE 27 HE1 PHE 27 5.154 -10.456 2.595 171 HE2 PHE 27 HE2 PHE 27 9.181 -11.046 3.865 172 HZ PHE 27 HZ PHE 27 6.798 -10.746 4.407 173 H CYS 28 H CYS 28 7.078 -13.125 -2.540 174 HA CYS 28 HA CYS 28 8.515 -13.004 -5.077 175 HB2 CYS 28 HB2 CYS 28 6.098 -14.463 -4.085 176 HB3 CYS 28 HB3 CYS 28 6.290 -14.205 -5.816 177 H GLY 29 H GLY 29 8.219 -11.404 -6.475 178 HA2 GLY 29 HA2 GLY 29 6.748 -9.144 -6.122 179 HA3 GLY 29 HA3 GLY 29 7.155 -9.772 -7.713 180 H CYS 30 H CYS 30 4.797 -8.309 -7.024 181 HA CYS 30 HA CYS 30 2.546 -9.901 -6.583 182 HB2 CYS 30 HB2 CYS 30 3.072 -7.195 -7.230 183 HB3 CYS 30 HB3 CYS 30 1.905 -7.782 -8.410 184 H ASP 31 H ASP 31 4.560 -9.609 -9.347 185 HA ASP 31 HA ASP 31 2.601 -10.586 -11.228 186 HB2 ASP 31 HB2 ASP 31 5.531 -9.937 -11.381 187 HB3 ASP 31 HB3 ASP 31 4.735 -10.807 -12.689 188 H ARG 32 H ARG 32 4.524 -11.975 -8.862 189 HA ARG 32 HA ARG 32 5.108 -14.109 -8.333 190 HB2 ARG 32 HB2 ARG 32 2.982 -14.888 -10.336 191 HB3 ARG 32 HB3 ARG 32 3.600 -15.873 -9.017 192 HG2 ARG 32 HG2 ARG 32 2.524 -14.579 -7.392 193 HG3 ARG 32 HG3 ARG 32 2.246 -13.247 -8.516 194 HD2 ARG 32 HD2 ARG 32 0.513 -14.351 -9.594 195 HD3 ARG 32 HD3 ARG 32 1.047 -15.936 -9.038 196 HE ARG 32 HE ARG 32 0.371 -14.714 -6.740 197 HH11 ARG 32 HH11 ARG 32 -1.285 -15.084 -9.780 198 HH12 ARG 32 HH12 ARG 32 -2.865 -15.068 -9.070 199 HH21 ARG 32 HH21 ARG 32 -1.705 -14.692 -5.794 200 HH22 ARG 32 HH22 ARG 32 -3.103 -14.844 -6.803 201 H THR 33 H THR 33 6.213 -12.729 -10.821 202 HA THR 33 HA THR 33 7.180 -15.122 -12.237 203 HB THR 33 HB THR 33 7.939 -13.478 -13.997 204 HG1 THR 33 HG1 THR 33 6.685 -11.427 -13.841 205 HG21 THR 33 HG21 THR 33 5.024 -13.802 -13.319 206 HG22 THR 33 HG22 THR 33 5.986 -14.715 -14.482 207 HG23 THR 33 HG23 THR 33 5.567 -13.033 -14.810 208 H GLY 34 H GLY 34 8.083 -12.716 -10.028 209 HA2 GLY 34 HA2 GLY 34 10.856 -13.624 -10.157 210 HA3 GLY 34 HA3 GLY 34 10.576 -11.902 -10.365 211 H ILE 35 H ILE 35 12.100 -13.134 -8.279 212 HA ILE 35 HA ILE 35 10.417 -12.598 -5.924 213 HB ILE 35 HB ILE 35 13.098 -13.963 -5.860 214 HG12 ILE 35 HG12 ILE 35 10.372 -15.243 -6.158 215 HG13 ILE 35 HG13 ILE 35 11.656 -15.249 -7.362 216 HG21 ILE 35 HG21 ILE 35 10.751 -13.992 -3.967 217 HG22 ILE 35 HG22 ILE 35 12.279 -14.840 -3.735 218 HG23 ILE 35 HG23 ILE 35 12.243 -13.077 -3.750 219 HD11 ILE 35 HD11 ILE 35 11.332 -16.866 -4.922 220 HD12 ILE 35 HD12 ILE 35 12.050 -17.280 -6.480 221 HD13 ILE 35 HD13 ILE 35 12.972 -16.342 -5.305 222 H VAL 36 H VAL 36 10.892 -10.956 -4.584 223 HA VAL 36 HA VAL 36 13.389 -9.466 -5.078 224 HB VAL 36 HB VAL 36 12.265 -7.401 -4.605 225 HG11 VAL 36 HG11 VAL 36 10.157 -8.171 -6.355 226 HG12 VAL 36 HG12 VAL 36 11.649 -7.309 -6.735 227 HG13 VAL 36 HG13 VAL 36 11.608 -9.071 -6.795 228 HG21 VAL 36 HG21 VAL 36 10.207 -9.181 -3.529 229 HG22 VAL 36 HG22 VAL 36 10.615 -7.523 -3.090 230 HG23 VAL 36 HG23 VAL 36 9.572 -7.836 -4.477 231 H GLU 37 H GLU 37 14.495 -8.652 -3.314 232 HA GLU 37 HA GLU 37 13.521 -9.531 -0.675 233 HB2 GLU 37 HB2 GLU 37 15.431 -10.882 -1.473 234 HB3 GLU 37 HB3 GLU 37 16.391 -9.417 -1.617 235 HG2 GLU 37 HG2 GLU 37 16.316 -9.063 0.753 236 HG3 GLU 37 HG3 GLU 37 15.195 -10.408 0.958 237 H CYS 38 H CYS 38 13.964 -8.195 1.102 238 HA CYS 38 HA CYS 38 13.932 -5.411 0.545 239 HB2 CYS 38 HB2 CYS 38 12.747 -6.203 2.471 240 HB3 CYS 38 HB3 CYS 38 14.196 -6.960 3.123 241 H LYS 39 H LYS 39 15.740 -4.591 -0.368 242 HA LYS 39 HA LYS 39 18.230 -4.822 1.186 243 HB2 LYS 39 HB2 LYS 39 17.800 -5.083 -1.769 244 HB3 LYS 39 HB3 LYS 39 19.333 -4.475 -1.158 245 HG2 LYS 39 HG2 LYS 39 19.995 -6.576 -0.948 246 HG3 LYS 39 HG3 LYS 39 18.809 -6.763 0.346 247 HD2 LYS 39 HD2 LYS 39 18.474 -8.502 -1.287 248 HD3 LYS 39 HD3 LYS 39 17.116 -7.377 -1.360 249 HE2 LYS 39 HE2 LYS 39 17.559 -7.575 -3.588 250 HE3 LYS 39 HE3 LYS 39 18.632 -6.232 -3.199 251 HZ1 LYS 39 HZ1 LYS 39 19.553 -9.043 -3.136 252 HZ2 LYS 39 HZ2 LYS 39 20.489 -7.635 -3.191 253 HZ3 LYS 39 HZ3 LYS 39 19.604 -8.116 -4.551 254 H GLY 40 H GLY 40 19.394 -2.965 1.486 255 HA2 GLY 40 HA2 GLY 40 19.770 -0.707 1.654 256 HA3 GLY 40 HA3 GLY 40 19.236 -0.623 -0.018 257 H GLY 41 H GLY 41 17.005 -1.887 2.277 258 HA2 GLY 41 HA2 GLY 41 15.234 -0.884 3.417 259 HA3 GLY 41 HA3 GLY 41 15.778 0.682 2.835 260 H LYS 42 H LYS 42 15.666 -1.423 0.265 261 HA LYS 42 HA LYS 42 12.854 -0.844 -0.342 262 HB2 LYS 42 HB2 LYS 42 13.347 0.019 -2.501 263 HB3 LYS 42 HB3 LYS 42 14.386 0.880 -1.373 264 HG2 LYS 42 HG2 LYS 42 16.134 0.319 -2.602 265 HG3 LYS 42 HG3 LYS 42 15.829 -1.379 -2.229 266 HD2 LYS 42 HD2 LYS 42 15.914 -1.100 -4.621 267 HD3 LYS 42 HD3 LYS 42 14.255 -1.466 -4.144 268 HE2 LYS 42 HE2 LYS 42 14.092 0.279 -5.717 269 HE3 LYS 42 HE3 LYS 42 13.856 1.038 -4.144 270 HZ1 LYS 42 HZ1 LYS 42 16.273 1.607 -4.211 271 HZ2 LYS 42 HZ2 LYS 42 15.328 2.401 -5.367 272 HZ3 LYS 42 HZ3 LYS 42 16.299 1.092 -5.822 273 H TRP 43 H TRP 43 11.865 -2.281 -1.792 274 HA TRP 43 HA TRP 43 12.930 -4.933 -1.739 275 HB2 TRP 43 HB2 TRP 43 10.462 -3.715 -2.971 276 HB3 TRP 43 HB3 TRP 43 10.870 -5.416 -3.181 277 HD1 TRP 43 HD1 TRP 43 9.023 -3.170 -0.923 278 HE1 TRP 43 HE1 TRP 43 8.380 -4.389 1.251 279 HE3 TRP 43 HE3 TRP 43 12.001 -7.298 -1.397 280 HZ2 TRP 43 HZ2 TRP 43 9.048 -6.784 2.587 281 HZ3 TRP 43 HZ3 TRP 43 11.940 -9.006 0.373 282 HH2 TRP 43 HH2 TRP 43 10.494 -8.752 2.323 283 H THR 44 H THR 44 14.391 -5.709 -3.096 284 HA THR 44 HA THR 44 14.389 -4.736 -5.878 285 HB THR 44 HB THR 44 16.809 -5.463 -4.215 286 HG1 THR 44 HG1 THR 44 15.759 -3.333 -3.909 287 HG21 THR 44 HG21 THR 44 17.594 -6.046 -6.265 288 HG22 THR 44 HG22 THR 44 17.815 -4.303 -6.419 289 HG23 THR 44 HG23 THR 44 16.394 -5.077 -7.119 290 H GLU 45 H GLU 45 14.556 -6.240 -7.474 291 HA GLU 45 HA GLU 45 13.857 -8.906 -6.916 292 HB2 GLU 45 HB2 GLU 45 13.527 -7.550 -9.082 293 HB3 GLU 45 HB3 GLU 45 15.172 -8.029 -9.476 294 HG2 GLU 45 HG2 GLU 45 14.563 -10.353 -9.428 295 HG3 GLU 45 HG3 GLU 45 12.940 -9.953 -8.869 296 H ILE 46 H ILE 46 15.026 -10.679 -6.512 297 HA ILE 46 HA ILE 46 17.952 -10.505 -6.826 298 HB ILE 46 HB ILE 46 18.227 -11.901 -4.860 299 HG12 ILE 46 HG12 ILE 46 15.226 -11.716 -4.524 300 HG13 ILE 46 HG13 ILE 46 16.079 -13.143 -5.104 301 HG21 ILE 46 HG21 ILE 46 16.360 -9.791 -3.898 302 HG22 ILE 46 HG22 ILE 46 17.963 -10.233 -3.312 303 HG23 ILE 46 HG23 ILE 46 17.794 -9.309 -4.804 304 HD11 ILE 46 HD11 ILE 46 15.409 -12.641 -2.513 305 HD12 ILE 46 HD12 ILE 46 16.664 -13.761 -3.044 306 HD13 ILE 46 HD13 ILE 46 17.092 -12.118 -2.568 307 H GLN 47 H GLN 47 15.092 -12.206 -7.536 308 HA GLN 47 HA GLN 47 16.609 -14.201 -9.003 309 HB2 GLN 47 HB2 GLN 47 16.036 -15.045 -6.619 310 HB3 GLN 47 HB3 GLN 47 14.391 -15.173 -7.227 311 HG2 GLN 47 HG2 GLN 47 15.714 -16.464 -9.179 312 HG3 GLN 47 HG3 GLN 47 16.759 -16.818 -7.805 313 HE21 GLN 47 HE21 GLN 47 13.475 -17.049 -9.021 314 HE22 GLN 47 HE22 GLN 47 13.000 -18.380 -8.027 315 H ASP 48 H ASP 48 15.401 -15.242 -10.653 316 HA ASP 48 HA ASP 48 12.841 -13.913 -11.267 317 HB2 ASP 48 HB2 ASP 48 14.867 -13.352 -12.736 318 HB3 ASP 48 HB3 ASP 48 14.733 -14.999 -13.346 319 H CYS 49 H CYS 49 11.208 -15.280 -11.040 320 HA CYS 49 HA CYS 49 11.552 -18.117 -11.058 321 HB2 CYS 49 HB2 CYS 49 9.275 -16.234 -10.669 322 HB3 CYS 49 HB3 CYS 49 8.896 -17.897 -11.105 323 H GLY 50 H GLY 50 10.741 -15.737 -13.428 324 HA2 GLY 50 HA2 GLY 50 10.725 -16.048 -15.741 325 HA3 GLY 50 HA3 GLY 50 10.707 -17.787 -15.483 326 H GLY 51 H GLY 51 8.492 -18.200 -13.981 327 HA2 GLY 51 HA2 GLY 51 6.347 -17.242 -15.770 328 HA3 GLY 51 HA3 GLY 51 6.356 -18.817 -14.989 329 H ALA 52 H ALA 52 4.322 -16.715 -14.912 330 HA ALA 52 HA ALA 52 4.418 -15.508 -12.313 331 HB1 ALA 52 HB1 ALA 52 2.067 -15.819 -14.176 332 HB2 ALA 52 HB2 ALA 52 2.179 -14.726 -12.796 333 HB3 ALA 52 HB3 ALA 52 3.216 -14.481 -14.201 334 H SER 53 H SER 53 4.884 -17.618 -11.226 335 HA SER 53 HA SER 53 2.379 -18.742 -10.238 336 HB2 SER 53 HB2 SER 53 4.291 -20.183 -11.913 337 HB3 SER 53 HB3 SER 53 3.987 -20.993 -10.377 338 HG SER 53 HG SER 53 2.517 -21.512 -12.162 339 H CYS 54 H CYS 54 4.985 -17.153 -9.479 340 HA CYS 54 HA CYS 54 6.117 -18.699 -7.351 341 HB2 CYS 54 HB2 CYS 54 7.217 -16.781 -8.678 342 HB3 CYS 54 HB3 CYS 54 6.322 -15.707 -7.608 343 H ARG 55 H ARG 55 5.324 -18.986 -5.381 344 HA ARG 55 HA ARG 55 3.601 -16.924 -4.210 345 HB2 ARG 55 HB2 ARG 55 2.621 -19.344 -5.215 346 HB3 ARG 55 HB3 ARG 55 2.697 -19.574 -3.474 347 HG2 ARG 55 HG2 ARG 55 1.241 -17.383 -4.937 348 HG3 ARG 55 HG3 ARG 55 0.523 -18.754 -4.090 349 HD2 ARG 55 HD2 ARG 55 2.024 -17.708 -2.114 350 HD3 ARG 55 HD3 ARG 55 1.660 -16.247 -3.031 351 HE ARG 55 HE ARG 55 -0.174 -17.821 -1.467 352 HH11 ARG 55 HH11 ARG 55 0.157 -15.527 -4.065 353 HH12 ARG 55 HH12 ARG 55 -1.459 -14.922 -3.912 354 HH21 ARG 55 HH21 ARG 55 -2.304 -17.032 -1.255 355 HH22 ARG 55 HH22 ARG 55 -2.858 -15.778 -2.312 356 H GLY 56 H GLY 56 3.830 -16.647 -2.030 357 HA2 GLY 56 HA2 GLY 56 5.584 -18.547 -0.611 358 HA3 GLY 56 HA3 GLY 56 5.904 -16.820 -0.549 359 H VAL 57 H VAL 57 5.734 -17.248 1.802 360 HA VAL 57 HA VAL 57 2.923 -17.287 2.690 361 HB VAL 57 HB VAL 57 3.761 -18.018 4.892 362 HG11 VAL 57 HG11 VAL 57 2.985 -19.716 3.396 363 HG12 VAL 57 HG12 VAL 57 4.523 -19.732 2.532 364 HG13 VAL 57 HG13 VAL 57 4.438 -20.317 4.194 365 HG21 VAL 57 HG21 VAL 57 6.021 -18.616 5.272 366 HG22 VAL 57 HG22 VAL 57 6.434 -18.426 3.568 367 HG23 VAL 57 HG23 VAL 57 6.053 -17.009 4.546 368 H SER 58 H SER 58 2.537 -16.047 4.741 369 HA SER 58 HA SER 58 3.198 -13.346 4.379 370 HB2 SER 58 HB2 SER 58 1.180 -14.210 5.594 371 HB3 SER 58 HB3 SER 58 2.233 -14.627 6.945 372 HG SER 58 HG SER 58 2.629 -12.502 7.304 373 H GLN 59 H GLN 59 4.934 -15.882 5.846 374 HA GLN 59 HA GLN 59 6.591 -14.050 7.416 375 HB2 GLN 59 HB2 GLN 59 6.677 -17.068 7.272 376 HB3 GLN 59 HB3 GLN 59 7.579 -16.056 8.393 377 HG2 GLN 59 HG2 GLN 59 5.862 -15.894 9.794 378 HG3 GLN 59 HG3 GLN 59 4.722 -15.555 8.492 379 HE21 GLN 59 HE21 GLN 59 3.875 -17.371 7.300 380 HE22 GLN 59 HE22 GLN 59 3.703 -18.901 8.083 381 H GLY 60 H GLY 60 6.489 -14.722 4.335 382 HA2 GLY 60 HA2 GLY 60 8.241 -14.105 2.847 383 HA3 GLY 60 HA3 GLY 60 9.409 -14.628 4.052 384 H GLY 61 H GLY 61 10.564 -16.213 3.157 385 HA2 GLY 61 HA2 GLY 61 11.088 -18.172 2.078 386 HA3 GLY 61 HA3 GLY 61 9.573 -18.768 2.740 387 H ALA 62 H ALA 62 10.017 -16.166 0.389 388 HA ALA 62 HA ALA 62 7.963 -17.003 -1.299 389 HB1 ALA 62 HB1 ALA 62 9.747 -14.859 -1.192 390 HB2 ALA 62 HB2 ALA 62 10.003 -15.602 -2.772 391 HB3 ALA 62 HB3 ALA 62 8.390 -15.067 -2.300 392 H ARG 63 H ARG 63 7.799 -18.594 -2.733 393 HA ARG 63 HA ARG 63 10.237 -19.666 -3.967 394 HB2 ARG 63 HB2 ARG 63 9.380 -21.964 -3.675 395 HB3 ARG 63 HB3 ARG 63 9.710 -21.173 -2.140 396 HG2 ARG 63 HG2 ARG 63 6.956 -20.891 -3.122 397 HG3 ARG 63 HG3 ARG 63 7.449 -22.533 -2.702 398 HD2 ARG 63 HD2 ARG 63 8.433 -21.120 -0.598 399 HD3 ARG 63 HD3 ARG 63 6.980 -20.199 -0.985 400 HE ARG 63 HE ARG 63 7.091 -22.742 0.264 401 HH11 ARG 63 HH11 ARG 63 5.225 -20.853 -1.987 402 HH12 ARG 63 HH12 ARG 63 3.741 -21.682 -1.654 403 HH21 ARG 63 HH21 ARG 63 5.143 -23.841 0.712 404 HH22 ARG 63 HH22 ARG 63 3.695 -23.381 -0.118 405 H CYS 64 H CYS 64 9.944 -20.629 -6.012 406 HA CYS 64 HA CYS 64 7.964 -19.419 -7.621 407 HB2 CYS 64 HB2 CYS 64 9.859 -21.708 -8.172 408 HB3 CYS 64 HB3 CYS 64 8.827 -20.979 -9.398 Start of MODEL 2 1 H1 ASP 1 H ASP 1 1.806 -0.000 0.856 2 HA ASP 1 HA ASP 1 1.425 0.279 -2.043 3 HB2 ASP 1 HB2 ASP 1 4.105 0.540 -0.746 4 HB3 ASP 1 HB3 ASP 1 3.461 1.367 -2.161 5 H THR 2 H THR 2 1.500 -2.187 -0.109 6 HA THR 2 HA THR 2 3.698 -3.778 -0.803 7 HB THR 2 HB THR 2 1.733 -5.635 -0.452 8 HG1 THR 2 HG1 THR 2 0.504 -4.545 1.363 9 HG21 THR 2 HG21 THR 2 3.159 -6.043 1.210 10 HG22 THR 2 HG22 THR 2 2.406 -4.746 2.139 11 HG23 THR 2 HG23 THR 2 3.795 -4.402 1.108 12 H CYS 3 H CYS 3 0.789 -3.001 -2.535 13 HA CYS 3 HA CYS 3 1.808 -4.056 -4.967 14 HB2 CYS 3 HB2 CYS 3 0.958 -6.125 -3.715 15 HB3 CYS 3 HB3 CYS 3 -0.658 -5.475 -3.974 16 H GLY 4 H GLY 4 0.563 -1.648 -3.726 17 HA2 GLY 4 HA2 GLY 4 -0.844 0.051 -4.361 18 HA3 GLY 4 HA3 GLY 4 -0.844 -0.699 -5.950 19 H GLY 5 H GLY 5 -1.932 -2.667 -3.361 20 HA2 GLY 5 HA2 GLY 5 -4.250 -2.622 -2.523 21 HA3 GLY 5 HA3 GLY 5 -4.731 -2.125 -4.138 22 H GLY 6 H GLY 6 -4.899 -4.630 -2.134 23 HA2 GLY 6 HA2 GLY 6 -5.626 -6.789 -2.578 24 HA3 GLY 6 HA3 GLY 6 -5.327 -6.506 -4.286 25 H TYR 7 H TYR 7 -2.822 -5.863 -1.978 26 HA TYR 7 HA TYR 7 -0.989 -7.578 -3.264 27 HB2 TYR 7 HB2 TYR 7 0.585 -6.878 -1.653 28 HB3 TYR 7 HB3 TYR 7 -0.494 -5.502 -1.851 29 HD1 TYR 7 HD1 TYR 7 -2.409 -5.266 -0.138 30 HD2 TYR 7 HD2 TYR 7 0.993 -7.747 0.471 31 HE1 TYR 7 HE1 TYR 7 -2.836 -5.245 2.284 32 HE2 TYR 7 HE2 TYR 7 0.576 -7.734 2.895 33 HH TYR 7 HH TYR 7 -0.605 -6.171 4.550 34 H GLY 8 H GLY 8 -0.038 -9.517 -2.577 35 HA2 GLY 8 HA2 GLY 8 -1.853 -11.264 -1.151 36 HA3 GLY 8 HA3 GLY 8 -0.361 -11.734 -1.952 37 H VAL 9 H VAL 9 -0.384 -13.045 0.151 38 HA VAL 9 HA VAL 9 0.352 -11.638 2.548 39 HB VAL 9 HB VAL 9 0.751 -13.883 3.496 40 HG11 VAL 9 HG11 VAL 9 -1.525 -12.809 3.368 41 HG12 VAL 9 HG12 VAL 9 -1.846 -13.842 1.974 42 HG13 VAL 9 HG13 VAL 9 -1.520 -14.563 3.551 43 HG21 VAL 9 HG21 VAL 9 0.199 -15.868 2.138 44 HG22 VAL 9 HG22 VAL 9 0.064 -14.834 0.716 45 HG23 VAL 9 HG23 VAL 9 1.616 -15.009 1.535 46 H ASP 10 H ASP 10 2.020 -13.347 -0.023 47 HA ASP 10 HA ASP 10 4.588 -12.614 1.226 48 HB2 ASP 10 HB2 ASP 10 4.166 -15.077 1.032 49 HB3 ASP 10 HB3 ASP 10 4.113 -14.881 -0.717 50 H GLN 11 H GLN 11 2.758 -11.152 -0.681 51 HA GLN 11 HA GLN 11 4.640 -10.836 -2.923 52 HB2 GLN 11 HB2 GLN 11 1.762 -9.930 -2.834 53 HB3 GLN 11 HB3 GLN 11 2.818 -9.991 -4.239 54 HG2 GLN 11 HG2 GLN 11 2.921 -12.549 -3.625 55 HG3 GLN 11 HG3 GLN 11 1.384 -12.183 -2.844 56 HE21 GLN 11 HE21 GLN 11 2.328 -13.663 -5.370 57 HE22 GLN 11 HE22 GLN 11 1.238 -13.099 -6.586 58 H ARG 12 H ARG 12 5.568 -8.897 -3.317 59 HA ARG 12 HA ARG 12 4.679 -6.581 -1.745 60 HB2 ARG 12 HB2 ARG 12 7.463 -7.712 -1.920 61 HB3 ARG 12 HB3 ARG 12 7.180 -6.024 -1.517 62 HG2 ARG 12 HG2 ARG 12 5.873 -8.243 0.015 63 HG3 ARG 12 HG3 ARG 12 7.497 -7.673 0.401 64 HD2 ARG 12 HD2 ARG 12 6.706 -5.489 0.893 65 HD3 ARG 12 HD3 ARG 12 5.117 -5.842 0.215 66 HE ARG 12 HE ARG 12 5.291 -7.633 2.206 67 HH11 ARG 12 HH11 ARG 12 5.890 -4.205 2.092 68 HH12 ARG 12 HH12 ARG 12 5.439 -3.940 3.744 69 HH21 ARG 12 HH21 ARG 12 4.695 -7.296 4.382 70 HH22 ARG 12 HH22 ARG 12 4.760 -5.698 5.045 71 H ARG 13 H ARG 13 5.538 -4.515 -2.583 72 HA ARG 13 HA ARG 13 5.517 -4.557 -5.499 73 HB2 ARG 13 HB2 ARG 13 4.034 -3.036 -4.071 74 HB3 ARG 13 HB3 ARG 13 5.492 -2.110 -3.743 75 HG2 ARG 13 HG2 ARG 13 4.776 -0.932 -5.525 76 HG3 ARG 13 HG3 ARG 13 5.634 -2.195 -6.410 77 HD2 ARG 13 HD2 ARG 13 3.242 -3.382 -6.127 78 HD3 ARG 13 HD3 ARG 13 2.735 -1.693 -6.138 79 HE ARG 13 HE ARG 13 3.719 -3.215 -8.356 80 HH11 ARG 13 HH11 ARG 13 3.433 -0.015 -7.014 81 HH12 ARG 13 HH12 ARG 13 3.523 0.779 -8.551 82 HH21 ARG 13 HH21 ARG 13 3.839 -2.181 -10.386 83 HH22 ARG 13 HH22 ARG 13 3.752 -0.454 -10.469 84 H THR 14 H THR 14 7.201 -3.997 -6.759 85 HA THR 14 HA THR 14 9.812 -3.916 -5.627 86 HB THR 14 HB THR 14 9.098 -3.183 -8.466 87 HG1 THR 14 HG1 THR 14 9.698 -5.797 -7.524 88 HG21 THR 14 HG21 THR 14 11.437 -4.709 -8.343 89 HG22 THR 14 HG22 THR 14 11.557 -3.566 -7.005 90 HG23 THR 14 HG23 THR 14 11.311 -2.977 -8.649 91 H ASN 15 H ASN 15 11.310 -2.231 -5.591 92 HA ASN 15 HA ASN 15 12.075 -0.093 -5.418 93 HB2 ASN 15 HB2 ASN 15 9.668 0.887 -6.935 94 HB3 ASN 15 HB3 ASN 15 11.294 1.562 -6.897 95 HD21 ASN 15 HD21 ASN 15 12.805 -0.689 -7.345 96 HD22 ASN 15 HD22 ASN 15 12.497 -1.277 -8.940 97 H SER 16 H SER 16 9.876 -1.325 -3.696 98 HA SER 16 HA SER 16 8.829 1.162 -2.520 99 HB2 SER 16 HB2 SER 16 6.872 0.101 -2.255 100 HB3 SER 16 HB3 SER 16 7.541 -1.257 -3.160 101 HG SER 16 HG SER 16 6.810 -1.953 -1.140 102 HA PRO 17 HA PRO 17 11.322 0.676 1.062 103 HB2 PRO 17 HB2 PRO 17 9.698 1.739 2.960 104 HB3 PRO 17 HB3 PRO 17 10.520 2.720 1.741 105 HG2 PRO 17 HG2 PRO 17 7.692 1.740 1.791 106 HG3 PRO 17 HG3 PRO 17 8.315 3.337 1.338 107 HD2 PRO 17 HD2 PRO 17 7.615 1.472 -0.496 108 HD3 PRO 17 HD3 PRO 17 8.924 2.640 -0.773 109 H CYS 18 H CYS 18 11.755 -0.911 2.477 110 HA CYS 18 HA CYS 18 9.522 -2.620 3.363 111 HB2 CYS 18 HB2 CYS 18 11.153 -4.496 3.397 112 HB3 CYS 18 HB3 CYS 18 10.899 -3.834 1.785 113 H GLN 19 H GLN 19 10.110 -3.911 5.373 114 HA GLN 19 HA GLN 19 10.993 -2.041 7.387 115 HB2 GLN 19 HB2 GLN 19 9.536 -4.605 7.329 116 HB3 GLN 19 HB3 GLN 19 10.543 -4.350 8.749 117 HG2 GLN 19 HG2 GLN 19 8.324 -2.573 7.765 118 HG3 GLN 19 HG3 GLN 19 8.310 -3.598 9.199 119 HE21 GLN 19 HE21 GLN 19 8.171 -0.587 8.586 120 HE22 GLN 19 HE22 GLN 19 9.263 0.099 9.735 121 H ALA 20 H ALA 20 12.465 -2.826 9.157 122 HA ALA 20 HA ALA 20 14.988 -3.484 8.071 123 HB1 ALA 20 HB1 ALA 20 13.958 -2.600 10.574 124 HB2 ALA 20 HB2 ALA 20 15.030 -3.973 10.855 125 HB3 ALA 20 HB3 ALA 20 15.620 -2.558 9.983 126 H SER 21 H SER 21 12.612 -5.366 9.901 127 HA SER 21 HA SER 21 14.211 -7.706 10.098 128 HB2 SER 21 HB2 SER 21 11.464 -6.917 10.769 129 HB3 SER 21 HB3 SER 21 11.619 -8.607 10.292 130 HG SER 21 HG SER 21 11.963 -8.372 12.519 131 H ASN 22 H ASN 22 12.166 -6.393 7.636 132 HA ASN 22 HA ASN 22 11.564 -8.744 6.213 133 HB2 ASN 22 HB2 ASN 22 11.854 -5.883 5.277 134 HB3 ASN 22 HB3 ASN 22 11.239 -7.188 4.266 135 HD21 ASN 22 HD21 ASN 22 9.478 -5.437 4.315 136 HD22 ASN 22 HD22 ASN 22 8.234 -5.669 5.491 137 H GLY 23 H GLY 23 14.486 -6.990 6.576 138 HA2 GLY 23 HA2 GLY 23 15.768 -7.582 4.142 139 HA3 GLY 23 HA3 GLY 23 16.577 -7.243 5.665 140 H ASP 24 H ASP 24 14.865 -9.641 6.698 141 HA ASP 24 HA ASP 24 16.772 -11.693 5.789 142 HB2 ASP 24 HB2 ASP 24 16.404 -10.824 8.339 143 HB3 ASP 24 HB3 ASP 24 15.275 -12.176 8.287 144 H ARG 25 H ARG 25 14.260 -10.983 4.479 145 HA ARG 25 HA ARG 25 13.073 -13.648 4.473 146 HB2 ARG 25 HB2 ARG 25 11.239 -11.273 4.490 147 HB3 ARG 25 HB3 ARG 25 10.868 -12.959 4.824 148 HG2 ARG 25 HG2 ARG 25 12.163 -12.784 6.924 149 HG3 ARG 25 HG3 ARG 25 12.394 -11.066 6.597 150 HD2 ARG 25 HD2 ARG 25 10.367 -10.568 7.372 151 HD3 ARG 25 HD3 ARG 25 9.613 -11.809 6.371 152 HE ARG 25 HE ARG 25 9.488 -13.137 8.218 153 HH11 ARG 25 HH11 ARG 25 11.919 -10.707 8.765 154 HH12 ARG 25 HH12 ARG 25 12.198 -11.169 10.411 155 HH21 ARG 25 HH21 ARG 25 9.846 -13.756 10.384 156 HH22 ARG 25 HH22 ARG 25 11.019 -12.905 11.331 157 H HIS 26 H HIS 26 11.908 -14.142 2.545 158 HA HIS 26 HA HIS 26 12.582 -12.354 0.301 159 HB2 HIS 26 HB2 HIS 26 12.421 -15.361 0.457 160 HB3 HIS 26 HB3 HIS 26 12.412 -14.500 -1.079 161 HD1 HIS 26 HD1 HIS 26 14.685 -16.456 -0.331 162 HD2 HIS 26 HD2 HIS 26 14.821 -12.348 0.273 163 HE1 HIS 26 HE1 HIS 26 17.129 -15.872 -0.232 164 H PHE 27 H PHE 27 11.038 -11.879 -1.222 165 HA PHE 27 HA PHE 27 8.343 -12.972 -0.789 166 HB2 PHE 27 HB2 PHE 27 9.198 -10.104 -0.873 167 HB3 PHE 27 HB3 PHE 27 7.605 -10.545 -1.480 168 HD1 PHE 27 HD1 PHE 27 9.756 -11.216 1.497 169 HD2 PHE 27 HD2 PHE 27 5.857 -10.408 -0.009 170 HE1 PHE 27 HE1 PHE 27 8.878 -11.186 3.795 171 HE2 PHE 27 HE2 PHE 27 4.974 -10.376 2.287 172 HZ PHE 27 HZ PHE 27 6.484 -10.764 4.193 173 H CYS 28 H CYS 28 6.982 -12.995 -2.629 174 HA CYS 28 HA CYS 28 8.476 -12.984 -5.154 175 HB2 CYS 28 HB2 CYS 28 6.046 -14.443 -4.180 176 HB3 CYS 28 HB3 CYS 28 6.291 -14.221 -5.909 177 H GLY 29 H GLY 29 8.115 -11.475 -6.644 178 HA2 GLY 29 HA2 GLY 29 6.673 -9.186 -6.306 179 HA3 GLY 29 HA3 GLY 29 7.035 -9.861 -7.888 180 H CYS 30 H CYS 30 4.708 -8.366 -7.216 181 HA CYS 30 HA CYS 30 2.457 -9.917 -6.649 182 HB2 CYS 30 HB2 CYS 30 2.763 -7.407 -8.303 183 HB3 CYS 30 HB3 CYS 30 1.202 -8.112 -7.898 184 H ASP 31 H ASP 31 4.346 -9.640 -9.536 185 HA ASP 31 HA ASP 31 2.339 -10.779 -11.267 186 HB2 ASP 31 HB2 ASP 31 5.225 -10.010 -11.606 187 HB3 ASP 31 HB3 ASP 31 4.394 -10.953 -12.840 188 H ARG 32 H ARG 32 4.414 -12.004 -8.953 189 HA ARG 32 HA ARG 32 5.099 -14.096 -8.376 190 HB2 ARG 32 HB2 ARG 32 3.012 -15.067 -10.331 191 HB3 ARG 32 HB3 ARG 32 3.666 -15.938 -8.950 192 HG2 ARG 32 HG2 ARG 32 2.109 -15.097 -7.623 193 HG3 ARG 32 HG3 ARG 32 2.551 -13.450 -8.079 194 HD2 ARG 32 HD2 ARG 32 1.203 -14.140 -10.275 195 HD3 ARG 32 HD3 ARG 32 0.404 -15.207 -9.121 196 HE ARG 32 HE ARG 32 0.608 -12.464 -8.259 197 HH11 ARG 32 HH11 ARG 32 -1.288 -14.808 -10.000 198 HH12 ARG 32 HH12 ARG 32 -2.774 -13.937 -9.813 199 HH21 ARG 32 HH21 ARG 32 -1.342 -11.309 -8.006 200 HH22 ARG 32 HH22 ARG 32 -2.804 -11.947 -8.680 201 H THR 33 H THR 33 6.082 -12.723 -10.925 202 HA THR 33 HA THR 33 7.106 -15.083 -12.345 203 HB THR 33 HB THR 33 7.879 -13.371 -14.054 204 HG1 THR 33 HG1 THR 33 6.861 -11.329 -13.920 205 HG21 THR 33 HG21 THR 33 5.922 -14.722 -14.474 206 HG22 THR 33 HG22 THR 33 5.600 -13.070 -15.001 207 HG23 THR 33 HG23 THR 33 4.929 -13.658 -13.480 208 H GLY 34 H GLY 34 8.000 -12.695 -10.102 209 HA2 GLY 34 HA2 GLY 34 10.783 -13.587 -10.263 210 HA3 GLY 34 HA3 GLY 34 10.477 -11.862 -10.394 211 H ILE 35 H ILE 35 12.065 -12.981 -8.383 212 HA ILE 35 HA ILE 35 10.375 -12.621 -5.996 213 HB ILE 35 HB ILE 35 13.056 -13.992 -6.024 214 HG12 ILE 35 HG12 ILE 35 10.306 -15.228 -6.279 215 HG13 ILE 35 HG13 ILE 35 11.576 -15.247 -7.499 216 HG21 ILE 35 HG21 ILE 35 12.226 -13.114 -3.875 217 HG22 ILE 35 HG22 ILE 35 10.777 -14.101 -4.054 218 HG23 ILE 35 HG23 ILE 35 12.353 -14.873 -3.884 219 HD11 ILE 35 HD11 ILE 35 12.915 -16.404 -5.524 220 HD12 ILE 35 HD12 ILE 35 11.281 -16.854 -5.037 221 HD13 ILE 35 HD13 ILE 35 11.883 -17.310 -6.630 222 H VAL 36 H VAL 36 10.820 -10.988 -4.646 223 HA VAL 36 HA VAL 36 13.332 -9.502 -5.062 224 HB VAL 36 HB VAL 36 12.216 -7.439 -4.604 225 HG11 VAL 36 HG11 VAL 36 10.100 -8.241 -6.357 226 HG12 VAL 36 HG12 VAL 36 11.553 -7.307 -6.719 227 HG13 VAL 36 HG13 VAL 36 11.590 -9.068 -6.810 228 HG21 VAL 36 HG21 VAL 36 10.549 -7.515 -3.115 229 HG22 VAL 36 HG22 VAL 36 9.508 -7.895 -4.487 230 HG23 VAL 36 HG23 VAL 36 10.169 -9.195 -3.495 231 H GLU 37 H GLU 37 14.418 -8.750 -3.267 232 HA GLU 37 HA GLU 37 13.371 -9.638 -0.659 233 HB2 GLU 37 HB2 GLU 37 15.198 -11.080 -1.244 234 HB3 GLU 37 HB3 GLU 37 16.203 -9.712 -1.700 235 HG2 GLU 37 HG2 GLU 37 16.240 -8.968 0.632 236 HG3 GLU 37 HG3 GLU 37 15.256 -10.360 1.082 237 H CYS 38 H CYS 38 13.812 -8.335 1.142 238 HA CYS 38 HA CYS 38 13.849 -5.548 0.628 239 HB2 CYS 38 HB2 CYS 38 12.645 -6.349 2.541 240 HB3 CYS 38 HB3 CYS 38 14.082 -7.136 3.187 241 H LYS 39 H LYS 39 15.671 -4.740 -0.262 242 HA LYS 39 HA LYS 39 18.149 -5.024 1.300 243 HB2 LYS 39 HB2 LYS 39 17.713 -5.357 -1.636 244 HB3 LYS 39 HB3 LYS 39 19.232 -4.663 -1.085 245 HG2 LYS 39 HG2 LYS 39 19.569 -6.662 0.343 246 HG3 LYS 39 HG3 LYS 39 18.112 -7.363 -0.366 247 HD2 LYS 39 HD2 LYS 39 20.587 -6.536 -1.883 248 HD3 LYS 39 HD3 LYS 39 20.144 -8.192 -1.460 249 HE2 LYS 39 HE2 LYS 39 18.127 -8.014 -2.807 250 HE3 LYS 39 HE3 LYS 39 18.509 -6.336 -3.189 251 HZ1 LYS 39 HZ1 LYS 39 19.121 -7.917 -4.961 252 HZ2 LYS 39 HZ2 LYS 39 20.228 -8.646 -3.911 253 HZ3 LYS 39 HZ3 LYS 39 20.445 -7.036 -4.382 254 H GLY 40 H GLY 40 19.303 -3.182 1.650 255 HA2 GLY 40 HA2 GLY 40 19.723 -0.932 1.808 256 HA3 GLY 40 HA3 GLY 40 19.224 -0.844 0.125 257 H GLY 41 H GLY 41 16.921 -2.069 2.367 258 HA2 GLY 41 HA2 GLY 41 15.131 -1.050 3.454 259 HA3 GLY 41 HA3 GLY 41 15.732 0.514 2.923 260 H LYS 42 H LYS 42 15.649 -1.541 0.310 261 HA LYS 42 HA LYS 42 12.875 -0.877 -0.375 262 HB2 LYS 42 HB2 LYS 42 13.463 0.005 -2.507 263 HB3 LYS 42 HB3 LYS 42 14.468 0.831 -1.323 264 HG2 LYS 42 HG2 LYS 42 16.206 0.312 -2.596 265 HG3 LYS 42 HG3 LYS 42 15.981 -1.362 -2.083 266 HD2 LYS 42 HD2 LYS 42 16.072 -1.299 -4.483 267 HD3 LYS 42 HD3 LYS 42 14.418 -1.674 -3.993 268 HE2 LYS 42 HE2 LYS 42 14.549 -0.022 -5.836 269 HE3 LYS 42 HE3 LYS 42 13.729 0.593 -4.402 270 HZ1 LYS 42 HZ1 LYS 42 15.455 2.070 -5.554 271 HZ2 LYS 42 HZ2 LYS 42 16.609 1.080 -4.813 272 HZ3 LYS 42 HZ3 LYS 42 15.509 1.950 -3.867 273 H TRP 43 H TRP 43 11.847 -2.338 -1.703 274 HA TRP 43 HA TRP 43 12.888 -4.982 -1.740 275 HB2 TRP 43 HB2 TRP 43 10.446 -3.717 -2.978 276 HB3 TRP 43 HB3 TRP 43 10.829 -5.424 -3.184 277 HD1 TRP 43 HD1 TRP 43 9.021 -3.134 -0.928 278 HE1 TRP 43 HE1 TRP 43 8.336 -4.346 1.237 279 HE3 TRP 43 HE3 TRP 43 11.889 -7.339 -1.408 280 HZ2 TRP 43 HZ2 TRP 43 8.933 -6.764 2.566 281 HZ3 TRP 43 HZ3 TRP 43 11.774 -9.053 0.354 282 HH2 TRP 43 HH2 TRP 43 10.326 -8.769 2.299 283 H THR 44 H THR 44 14.353 -5.749 -3.099 284 HA THR 44 HA THR 44 14.365 -4.748 -5.871 285 HB THR 44 HB THR 44 16.812 -5.584 -4.304 286 HG1 THR 44 HG1 THR 44 16.933 -3.572 -3.673 287 HG21 THR 44 HG21 THR 44 16.411 -4.439 -7.063 288 HG22 THR 44 HG22 THR 44 17.172 -5.968 -6.623 289 HG23 THR 44 HG23 THR 44 17.970 -4.443 -6.239 290 H GLU 45 H GLU 45 14.440 -6.241 -7.465 291 HA GLU 45 HA GLU 45 13.790 -8.920 -6.907 292 HB2 GLU 45 HB2 GLU 45 13.441 -7.471 -9.063 293 HB3 GLU 45 HB3 GLU 45 15.011 -8.115 -9.520 294 HG2 GLU 45 HG2 GLU 45 14.187 -10.362 -9.420 295 HG3 GLU 45 HG3 GLU 45 12.646 -9.812 -8.766 296 H ILE 46 H ILE 46 14.996 -10.665 -6.521 297 HA ILE 46 HA ILE 46 17.900 -10.478 -6.996 298 HB ILE 46 HB ILE 46 18.215 -11.963 -5.036 299 HG12 ILE 46 HG12 ILE 46 15.303 -11.375 -4.467 300 HG13 ILE 46 HG13 ILE 46 15.908 -12.916 -5.065 301 HG21 ILE 46 HG21 ILE 46 17.473 -9.194 -5.042 302 HG22 ILE 46 HG22 ILE 46 16.991 -9.942 -3.520 303 HG23 ILE 46 HG23 ILE 46 18.671 -10.026 -4.051 304 HD11 ILE 46 HD11 ILE 46 15.458 -12.586 -2.534 305 HD12 ILE 46 HD12 ILE 46 16.902 -13.450 -3.063 306 HD13 ILE 46 HD13 ILE 46 17.020 -11.767 -2.550 307 H GLN 47 H GLN 47 15.024 -12.178 -7.573 308 HA GLN 47 HA GLN 47 16.503 -14.244 -8.999 309 HB2 GLN 47 HB2 GLN 47 15.845 -15.010 -6.616 310 HB3 GLN 47 HB3 GLN 47 14.206 -15.073 -7.249 311 HG2 GLN 47 HG2 GLN 47 15.605 -16.451 -9.145 312 HG3 GLN 47 HG3 GLN 47 16.453 -16.886 -7.663 313 HE21 GLN 47 HE21 GLN 47 13.378 -16.927 -9.321 314 HE22 GLN 47 HE22 GLN 47 12.657 -18.169 -8.361 315 H ASP 48 H ASP 48 15.294 -15.276 -10.654 316 HA ASP 48 HA ASP 48 12.783 -13.895 -11.343 317 HB2 ASP 48 HB2 ASP 48 14.386 -13.098 -12.894 318 HB3 ASP 48 HB3 ASP 48 15.092 -14.698 -13.106 319 H CYS 49 H CYS 49 11.138 -15.255 -11.155 320 HA CYS 49 HA CYS 49 11.478 -18.099 -11.232 321 HB2 CYS 49 HB2 CYS 49 9.312 -16.204 -10.610 322 HB3 CYS 49 HB3 CYS 49 8.773 -17.718 -11.329 323 H GLY 50 H GLY 50 10.614 -15.643 -13.513 324 HA2 GLY 50 HA2 GLY 50 10.570 -15.881 -15.835 325 HA3 GLY 50 HA3 GLY 50 10.570 -17.626 -15.633 326 H GLY 51 H GLY 51 8.377 -18.084 -14.092 327 HA2 GLY 51 HA2 GLY 51 6.195 -17.069 -15.807 328 HA3 GLY 51 HA3 GLY 51 6.234 -18.689 -15.127 329 H ALA 52 H ALA 52 4.178 -16.626 -14.882 330 HA ALA 52 HA ALA 52 4.301 -15.549 -12.235 331 HB1 ALA 52 HB1 ALA 52 3.000 -14.516 -14.072 332 HB2 ALA 52 HB2 ALA 52 1.884 -15.880 -14.005 333 HB3 ALA 52 HB3 ALA 52 2.045 -14.804 -12.617 334 H SER 53 H SER 53 4.871 -17.652 -11.217 335 HA SER 53 HA SER 53 2.436 -18.945 -10.253 336 HB2 SER 53 HB2 SER 53 4.401 -20.211 -11.985 337 HB3 SER 53 HB3 SER 53 4.232 -21.068 -10.453 338 HG SER 53 HG SER 53 2.050 -20.308 -12.099 339 H CYS 54 H CYS 54 5.002 -17.248 -9.481 340 HA CYS 54 HA CYS 54 6.160 -18.775 -7.351 341 HB2 CYS 54 HB2 CYS 54 7.234 -16.842 -8.672 342 HB3 CYS 54 HB3 CYS 54 6.310 -15.779 -7.616 343 H ARG 55 H ARG 55 5.372 -19.069 -5.379 344 HA ARG 55 HA ARG 55 3.610 -17.038 -4.215 345 HB2 ARG 55 HB2 ARG 55 2.667 -19.470 -5.231 346 HB3 ARG 55 HB3 ARG 55 2.734 -19.700 -3.489 347 HG2 ARG 55 HG2 ARG 55 1.254 -17.538 -4.969 348 HG3 ARG 55 HG3 ARG 55 0.555 -18.908 -4.104 349 HD2 ARG 55 HD2 ARG 55 2.055 -17.808 -2.148 350 HD3 ARG 55 HD3 ARG 55 1.644 -16.368 -3.080 351 HE ARG 55 HE ARG 55 -0.124 -17.947 -1.459 352 HH11 ARG 55 HH11 ARG 55 0.086 -15.767 -4.166 353 HH12 ARG 55 HH12 ARG 55 -1.554 -15.225 -4.023 354 HH21 ARG 55 HH21 ARG 55 -2.284 -17.241 -1.260 355 HH22 ARG 55 HH22 ARG 55 -2.900 -16.063 -2.369 356 H GLY 56 H GLY 56 3.854 -16.743 -2.046 357 HA2 GLY 56 HA2 GLY 56 5.602 -18.639 -0.613 358 HA3 GLY 56 HA3 GLY 56 5.924 -16.912 -0.559 359 H VAL 57 H VAL 57 5.750 -17.327 1.794 360 HA VAL 57 HA VAL 57 2.937 -17.352 2.676 361 HB VAL 57 HB VAL 57 3.746 -18.101 4.871 362 HG11 VAL 57 HG11 VAL 57 3.098 -19.704 3.050 363 HG12 VAL 57 HG12 VAL 57 4.819 -19.908 2.714 364 HG13 VAL 57 HG13 VAL 57 4.165 -20.368 4.287 365 HG21 VAL 57 HG21 VAL 57 6.021 -17.060 4.607 366 HG22 VAL 57 HG22 VAL 57 6.012 -18.689 5.284 367 HG23 VAL 57 HG23 VAL 57 6.452 -18.439 3.594 368 H SER 58 H SER 58 2.581 -16.123 4.755 369 HA SER 58 HA SER 58 3.246 -13.418 4.378 370 HB2 SER 58 HB2 SER 58 1.221 -14.235 5.587 371 HB3 SER 58 HB3 SER 58 2.259 -14.719 6.928 372 HG SER 58 HG SER 58 1.329 -12.636 7.228 373 H GLN 59 H GLN 59 4.980 -15.960 5.828 374 HA GLN 59 HA GLN 59 6.624 -14.161 7.440 375 HB2 GLN 59 HB2 GLN 59 6.976 -17.140 7.174 376 HB3 GLN 59 HB3 GLN 59 7.534 -16.091 8.470 377 HG2 GLN 59 HG2 GLN 59 4.771 -17.085 7.912 378 HG3 GLN 59 HG3 GLN 59 5.724 -17.214 9.389 379 HE21 GLN 59 HE21 GLN 59 3.018 -16.009 8.554 380 HE22 GLN 59 HE22 GLN 59 3.027 -14.458 9.314 381 H GLY 60 H GLY 60 6.513 -14.845 4.318 382 HA2 GLY 60 HA2 GLY 60 8.208 -14.146 2.805 383 HA3 GLY 60 HA3 GLY 60 9.416 -14.544 4.018 384 H GLY 61 H GLY 61 10.689 -16.062 3.169 385 HA2 GLY 61 HA2 GLY 61 11.363 -17.994 2.123 386 HA3 GLY 61 HA3 GLY 61 9.913 -18.695 2.825 387 H ALA 62 H ALA 62 10.069 -16.123 0.410 388 HA ALA 62 HA ALA 62 8.067 -17.085 -1.218 389 HB1 ALA 62 HB1 ALA 62 8.475 -15.146 -2.212 390 HB2 ALA 62 HB2 ALA 62 9.998 -15.004 -1.333 391 HB3 ALA 62 HB3 ALA 62 9.957 -15.810 -2.901 392 H ARG 63 H ARG 63 7.872 -18.676 -2.665 393 HA ARG 63 HA ARG 63 10.299 -19.902 -3.771 394 HB2 ARG 63 HB2 ARG 63 9.274 -22.150 -3.451 395 HB3 ARG 63 HB3 ARG 63 9.681 -21.341 -1.943 396 HG2 ARG 63 HG2 ARG 63 6.923 -21.055 -3.023 397 HG3 ARG 63 HG3 ARG 63 7.389 -22.570 -2.246 398 HD2 ARG 63 HD2 ARG 63 8.252 -21.070 -0.338 399 HD3 ARG 63 HD3 ARG 63 7.268 -19.810 -1.081 400 HE ARG 63 HE ARG 63 5.400 -20.840 -0.261 401 HH11 ARG 63 HH11 ARG 63 8.067 -23.075 -0.150 402 HH12 ARG 63 HH12 ARG 63 7.190 -24.280 0.734 403 HH21 ARG 63 HH21 ARG 63 4.235 -22.419 0.902 404 HH22 ARG 63 HH22 ARG 63 5.010 -23.906 1.331 405 H CYS 64 H CYS 64 10.074 -20.813 -5.818 406 HA CYS 64 HA CYS 64 8.085 -19.641 -7.471 407 HB2 CYS 64 HB2 CYS 64 10.562 -20.615 -7.936 408 HB3 CYS 64 HB3 CYS 64 9.592 -21.966 -8.513 Start of MODEL 3 1 H1 ASP 1 H ASP 1 0.789 0.739 0.371 2 HA ASP 1 HA ASP 1 1.433 0.359 -1.864 3 HB2 ASP 1 HB2 ASP 1 4.180 0.583 -0.698 4 HB3 ASP 1 HB3 ASP 1 3.480 1.420 -2.082 5 H THR 2 H THR 2 1.623 -2.138 0.037 6 HA THR 2 HA THR 2 3.749 -3.744 -0.756 7 HB THR 2 HB THR 2 1.752 -5.581 -0.470 8 HG1 THR 2 HG1 THR 2 0.229 -3.838 -0.149 9 HG21 THR 2 HG21 THR 2 3.169 -6.080 1.175 10 HG22 THR 2 HG22 THR 2 2.458 -4.792 2.148 11 HG23 THR 2 HG23 THR 2 3.849 -4.455 1.118 12 H CYS 3 H CYS 3 0.871 -2.841 -2.468 13 HA CYS 3 HA CYS 3 1.866 -3.826 -4.933 14 HB2 CYS 3 HB2 CYS 3 1.012 -5.938 -3.784 15 HB3 CYS 3 HB3 CYS 3 -0.604 -5.261 -3.963 16 H GLY 4 H GLY 4 0.650 -1.453 -3.603 17 HA2 GLY 4 HA2 GLY 4 -0.744 0.281 -4.165 18 HA3 GLY 4 HA3 GLY 4 -0.743 -0.400 -5.785 19 H GLY 5 H GLY 5 -1.860 -2.465 -3.285 20 HA2 GLY 5 HA2 GLY 5 -4.183 -2.436 -2.458 21 HA3 GLY 5 HA3 GLY 5 -4.651 -1.868 -4.053 22 H GLY 6 H GLY 6 -4.854 -4.452 -2.157 23 HA2 GLY 6 HA2 GLY 6 -5.609 -6.580 -2.706 24 HA3 GLY 6 HA3 GLY 6 -5.267 -6.234 -4.395 25 H TYR 7 H TYR 7 -2.800 -5.700 -2.026 26 HA TYR 7 HA TYR 7 -0.973 -7.412 -3.331 27 HB2 TYR 7 HB2 TYR 7 0.591 -6.776 -1.677 28 HB3 TYR 7 HB3 TYR 7 -0.452 -5.374 -1.886 29 HD1 TYR 7 HD1 TYR 7 0.945 -7.656 0.450 30 HD2 TYR 7 HD2 TYR 7 -2.409 -5.124 -0.213 31 HE1 TYR 7 HE1 TYR 7 0.479 -7.651 2.865 32 HE2 TYR 7 HE2 TYR 7 -2.884 -5.111 2.200 33 HH TYR 7 HH TYR 7 -1.621 -5.472 4.327 34 H GLY 8 H GLY 8 -0.010 -9.355 -2.612 35 HA2 GLY 8 HA2 GLY 8 -1.881 -11.119 -1.275 36 HA3 GLY 8 HA3 GLY 8 -0.371 -11.585 -2.043 37 H VAL 9 H VAL 9 -0.452 -12.928 0.037 38 HA VAL 9 HA VAL 9 0.225 -11.561 2.474 39 HB VAL 9 HB VAL 9 0.618 -13.841 3.378 40 HG11 VAL 9 HG11 VAL 9 -1.984 -13.947 1.921 41 HG12 VAL 9 HG12 VAL 9 -1.622 -14.315 3.609 42 HG13 VAL 9 HG13 VAL 9 -1.685 -12.638 3.065 43 HG21 VAL 9 HG21 VAL 9 1.240 -15.399 1.903 44 HG22 VAL 9 HG22 VAL 9 -0.470 -15.527 1.491 45 HG23 VAL 9 HG23 VAL 9 0.591 -14.489 0.539 46 H ASP 10 H ASP 10 1.954 -13.255 -0.071 47 HA ASP 10 HA ASP 10 4.490 -12.531 1.247 48 HB2 ASP 10 HB2 ASP 10 4.072 -14.992 1.050 49 HB3 ASP 10 HB3 ASP 10 4.057 -14.803 -0.701 50 H GLN 11 H GLN 11 2.708 -11.079 -0.719 51 HA GLN 11 HA GLN 11 4.642 -10.777 -2.916 52 HB2 GLN 11 HB2 GLN 11 1.781 -9.818 -2.892 53 HB3 GLN 11 HB3 GLN 11 2.862 -9.931 -4.274 54 HG2 GLN 11 HG2 GLN 11 2.894 -12.473 -3.651 55 HG3 GLN 11 HG3 GLN 11 1.375 -12.076 -2.848 56 HE21 GLN 11 HE21 GLN 11 2.241 -13.594 -5.373 57 HE22 GLN 11 HE22 GLN 11 1.148 -13.015 -6.578 58 H ARG 12 H ARG 12 5.607 -8.853 -3.288 59 HA ARG 12 HA ARG 12 4.731 -6.535 -1.706 60 HB2 ARG 12 HB2 ARG 12 7.520 -7.650 -1.955 61 HB3 ARG 12 HB3 ARG 12 7.218 -5.983 -1.481 62 HG2 ARG 12 HG2 ARG 12 6.010 -8.312 -0.023 63 HG3 ARG 12 HG3 ARG 12 7.596 -7.653 0.381 64 HD2 ARG 12 HD2 ARG 12 6.684 -5.562 0.985 65 HD3 ARG 12 HD3 ARG 12 5.132 -5.940 0.239 66 HE ARG 12 HE ARG 12 5.316 -7.824 2.139 67 HH11 ARG 12 HH11 ARG 12 5.786 -4.376 2.222 68 HH12 ARG 12 HH12 ARG 12 5.277 -4.215 3.870 69 HH21 ARG 12 HH21 ARG 12 4.643 -7.625 4.309 70 HH22 ARG 12 HH22 ARG 12 4.627 -6.063 5.057 71 H ARG 13 H ARG 13 5.573 -4.465 -2.539 72 HA ARG 13 HA ARG 13 5.505 -4.478 -5.453 73 HB2 ARG 13 HB2 ARG 13 4.042 -2.964 -4.042 74 HB3 ARG 13 HB3 ARG 13 5.503 -2.077 -3.627 75 HG2 ARG 13 HG2 ARG 13 4.911 -0.810 -5.382 76 HG3 ARG 13 HG3 ARG 13 5.706 -2.084 -6.309 77 HD2 ARG 13 HD2 ARG 13 3.267 -3.158 -6.116 78 HD3 ARG 13 HD3 ARG 13 2.828 -1.454 -6.013 79 HE ARG 13 HE ARG 13 3.748 -2.860 -8.330 80 HH11 ARG 13 HH11 ARG 13 3.611 0.250 -6.773 81 HH12 ARG 13 HH12 ARG 13 3.740 1.142 -8.252 82 HH21 ARG 13 HH21 ARG 13 3.919 -1.697 -10.285 83 HH22 ARG 13 HH22 ARG 13 3.915 0.033 -10.250 84 H THR 14 H THR 14 7.182 -3.965 -6.733 85 HA THR 14 HA THR 14 9.808 -3.890 -5.643 86 HB THR 14 HB THR 14 9.066 -3.164 -8.475 87 HG1 THR 14 HG1 THR 14 9.486 -5.759 -7.367 88 HG21 THR 14 HG21 THR 14 11.533 -3.547 -7.049 89 HG22 THR 14 HG22 THR 14 11.278 -3.025 -8.714 90 HG23 THR 14 HG23 THR 14 11.384 -4.744 -8.335 91 H ASN 15 H ASN 15 11.311 -2.216 -5.616 92 HA ASN 15 HA ASN 15 12.095 -0.082 -5.471 93 HB2 ASN 15 HB2 ASN 15 9.685 0.912 -6.972 94 HB3 ASN 15 HB3 ASN 15 11.321 1.564 -6.960 95 HD21 ASN 15 HD21 ASN 15 12.792 -0.716 -7.404 96 HD22 ASN 15 HD22 ASN 15 12.456 -1.313 -8.990 97 H SER 16 H SER 16 9.911 -1.284 -3.715 98 HA SER 16 HA SER 16 8.885 1.219 -2.553 99 HB2 SER 16 HB2 SER 16 6.925 0.171 -2.260 100 HB3 SER 16 HB3 SER 16 7.578 -1.198 -3.160 101 HG SER 16 HG SER 16 7.030 -0.981 -0.516 102 HA PRO 17 HA PRO 17 11.413 0.752 1.006 103 HB2 PRO 17 HB2 PRO 17 9.817 1.851 2.908 104 HB3 PRO 17 HB3 PRO 17 10.636 2.810 1.670 105 HG2 PRO 17 HG2 PRO 17 7.800 1.857 1.759 106 HG3 PRO 17 HG3 PRO 17 8.432 3.443 1.281 107 HD2 PRO 17 HD2 PRO 17 7.698 1.563 -0.524 108 HD3 PRO 17 HD3 PRO 17 9.014 2.716 -0.827 109 H CYS 18 H CYS 18 11.844 -0.814 2.449 110 HA CYS 18 HA CYS 18 9.605 -2.489 3.380 111 HB2 CYS 18 HB2 CYS 18 11.333 -4.350 3.469 112 HB3 CYS 18 HB3 CYS 18 10.843 -3.827 1.860 113 H GLN 19 H GLN 19 10.227 -3.779 5.388 114 HA GLN 19 HA GLN 19 11.158 -1.899 7.372 115 HB2 GLN 19 HB2 GLN 19 9.620 -4.390 7.342 116 HB3 GLN 19 HB3 GLN 19 10.731 -4.273 8.700 117 HG2 GLN 19 HG2 GLN 19 8.569 -2.315 7.966 118 HG3 GLN 19 HG3 GLN 19 8.578 -3.423 9.337 119 HE21 GLN 19 HE21 GLN 19 8.805 -0.326 8.672 120 HE22 GLN 19 HE22 GLN 19 9.925 0.203 9.876 121 H ALA 20 H ALA 20 12.658 -2.685 9.121 122 HA ALA 20 HA ALA 20 15.158 -3.359 7.991 123 HB1 ALA 20 HB1 ALA 20 15.877 -2.492 9.900 124 HB2 ALA 20 HB2 ALA 20 14.210 -2.395 10.468 125 HB3 ALA 20 HB3 ALA 20 15.173 -3.834 10.804 126 H SER 21 H SER 21 12.761 -5.227 9.790 127 HA SER 21 HA SER 21 14.359 -7.573 10.018 128 HB2 SER 21 HB2 SER 21 12.240 -8.677 10.674 129 HB3 SER 21 HB3 SER 21 12.501 -7.169 11.551 130 HG SER 21 HG SER 21 10.458 -7.860 9.949 131 H ASN 22 H ASN 22 12.319 -6.260 7.548 132 HA ASN 22 HA ASN 22 11.732 -8.620 6.127 133 HB2 ASN 22 HB2 ASN 22 11.708 -5.708 5.535 134 HB3 ASN 22 HB3 ASN 22 11.736 -6.800 4.153 135 HD21 ASN 22 HD21 ASN 22 10.180 -8.809 4.714 136 HD22 ASN 22 HD22 ASN 22 8.574 -8.312 5.112 137 H GLY 23 H GLY 23 14.636 -6.841 6.492 138 HA2 GLY 23 HA2 GLY 23 15.919 -7.408 4.052 139 HA3 GLY 23 HA3 GLY 23 16.727 -7.068 5.575 140 H ASP 24 H ASP 24 15.034 -9.489 6.592 141 HA ASP 24 HA ASP 24 16.943 -11.526 5.647 142 HB2 ASP 24 HB2 ASP 24 16.911 -10.727 8.135 143 HB3 ASP 24 HB3 ASP 24 15.480 -11.746 8.257 144 H ARG 25 H ARG 25 14.415 -10.855 4.387 145 HA ARG 25 HA ARG 25 13.223 -13.517 4.457 146 HB2 ARG 25 HB2 ARG 25 11.387 -11.145 4.457 147 HB3 ARG 25 HB3 ARG 25 11.030 -12.822 4.848 148 HG2 ARG 25 HG2 ARG 25 12.373 -12.582 6.912 149 HG3 ARG 25 HG3 ARG 25 12.589 -10.873 6.530 150 HD2 ARG 25 HD2 ARG 25 10.423 -10.347 7.018 151 HD3 ARG 25 HD3 ARG 25 9.821 -11.942 6.565 152 HE ARG 25 HE ARG 25 10.554 -11.088 9.164 153 HH11 ARG 25 HH11 ARG 25 10.667 -13.847 7.043 154 HH12 ARG 25 HH12 ARG 25 10.672 -15.003 8.334 155 HH21 ARG 25 HH21 ARG 25 10.560 -12.601 10.872 156 HH22 ARG 25 HH22 ARG 25 10.610 -14.293 10.511 157 H HIS 26 H HIS 26 11.926 -13.995 2.576 158 HA HIS 26 HA HIS 26 12.591 -12.270 0.281 159 HB2 HIS 26 HB2 HIS 26 12.414 -15.273 0.492 160 HB3 HIS 26 HB3 HIS 26 12.373 -14.438 -1.058 161 HD1 HIS 26 HD1 HIS 26 14.645 -16.331 -0.649 162 HD2 HIS 26 HD2 HIS 26 14.836 -12.347 0.515 163 HE1 HIS 26 HE1 HIS 26 17.096 -15.780 -0.539 164 H PHE 27 H PHE 27 11.017 -11.838 -1.234 165 HA PHE 27 HA PHE 27 8.332 -12.916 -0.736 166 HB2 PHE 27 HB2 PHE 27 9.155 -10.032 -0.847 167 HB3 PHE 27 HB3 PHE 27 7.535 -10.508 -1.344 168 HD1 PHE 27 HD1 PHE 27 9.907 -11.023 1.488 169 HD2 PHE 27 HD2 PHE 27 5.873 -10.496 0.237 170 HE1 PHE 27 HE1 PHE 27 9.184 -10.998 3.840 171 HE2 PHE 27 HE2 PHE 27 5.144 -10.469 2.587 172 HZ PHE 27 HZ PHE 27 6.801 -10.720 4.392 173 H CYS 28 H CYS 28 7.022 -13.124 -2.539 174 HA CYS 28 HA CYS 28 8.439 -13.026 -5.089 175 HB2 CYS 28 HB2 CYS 28 6.016 -14.463 -4.075 176 HB3 CYS 28 HB3 CYS 28 6.211 -14.224 -5.808 177 H GLY 29 H GLY 29 8.152 -11.412 -6.471 178 HA2 GLY 29 HA2 GLY 29 6.677 -9.155 -6.116 179 HA3 GLY 29 HA3 GLY 29 7.090 -9.777 -7.707 180 H CYS 30 H CYS 30 4.729 -8.319 -7.027 181 HA CYS 30 HA CYS 30 2.478 -9.912 -6.596 182 HB2 CYS 30 HB2 CYS 30 3.005 -7.206 -7.243 183 HB3 CYS 30 HB3 CYS 30 1.838 -7.794 -8.422 184 H ASP 31 H ASP 31 4.501 -9.615 -9.352 185 HA ASP 31 HA ASP 31 2.551 -10.590 -11.243 186 HB2 ASP 31 HB2 ASP 31 5.522 -10.083 -11.425 187 HB3 ASP 31 HB3 ASP 31 4.582 -10.745 -12.760 188 H ARG 32 H ARG 32 4.462 -11.984 -8.868 189 HA ARG 32 HA ARG 32 5.036 -14.121 -8.337 190 HB2 ARG 32 HB2 ARG 32 2.926 -14.901 -10.355 191 HB3 ARG 32 HB3 ARG 32 3.528 -15.879 -9.023 192 HG2 ARG 32 HG2 ARG 32 2.043 -15.009 -7.629 193 HG3 ARG 32 HG3 ARG 32 2.527 -13.365 -8.052 194 HD2 ARG 32 HD2 ARG 32 0.358 -13.316 -8.758 195 HD3 ARG 32 HD3 ARG 32 1.133 -13.896 -10.232 196 HE ARG 32 HE ARG 32 0.410 -16.104 -8.662 197 HH11 ARG 32 HH11 ARG 32 -1.058 -13.560 -10.532 198 HH12 ARG 32 HH12 ARG 32 -2.466 -14.488 -10.930 199 HH21 ARG 32 HH21 ARG 32 -1.439 -17.335 -9.180 200 HH22 ARG 32 HH22 ARG 32 -2.682 -16.635 -10.160 201 H THR 33 H THR 33 6.154 -12.740 -10.822 202 HA THR 33 HA THR 33 7.121 -15.132 -12.238 203 HB THR 33 HB THR 33 7.907 -13.482 -13.982 204 HG1 THR 33 HG1 THR 33 7.758 -11.630 -12.531 205 HG21 THR 33 HG21 THR 33 5.555 -13.031 -14.826 206 HG22 THR 33 HG22 THR 33 4.981 -13.778 -13.335 207 HG23 THR 33 HG23 THR 33 5.947 -14.713 -14.476 208 H GLY 34 H GLY 34 8.031 -12.677 -10.059 209 HA2 GLY 34 HA2 GLY 34 10.796 -13.630 -10.148 210 HA3 GLY 34 HA3 GLY 34 10.530 -11.906 -10.362 211 H ILE 35 H ILE 35 12.034 -13.127 -8.264 212 HA ILE 35 HA ILE 35 10.336 -12.584 -5.922 213 HB ILE 35 HB ILE 35 13.012 -13.959 -5.843 214 HG12 ILE 35 HG12 ILE 35 10.280 -15.228 -6.126 215 HG13 ILE 35 HG13 ILE 35 11.557 -15.243 -7.337 216 HG21 ILE 35 HG21 ILE 35 12.039 -12.995 -3.758 217 HG22 ILE 35 HG22 ILE 35 10.677 -14.099 -3.946 218 HG23 ILE 35 HG23 ILE 35 12.301 -14.738 -3.696 219 HD11 ILE 35 HD11 ILE 35 11.404 -16.712 -4.742 220 HD12 ILE 35 HD12 ILE 35 11.713 -17.332 -6.364 221 HD13 ILE 35 HD13 ILE 35 12.957 -16.409 -5.521 222 H VAL 36 H VAL 36 10.807 -10.938 -4.584 223 HA VAL 36 HA VAL 36 13.311 -9.457 -5.065 224 HB VAL 36 HB VAL 36 12.195 -7.387 -4.625 225 HG11 VAL 36 HG11 VAL 36 11.502 -7.284 -6.732 226 HG12 VAL 36 HG12 VAL 36 11.567 -9.046 -6.803 227 HG13 VAL 36 HG13 VAL 36 10.068 -8.235 -6.348 228 HG21 VAL 36 HG21 VAL 36 9.489 -7.854 -4.480 229 HG22 VAL 36 HG22 VAL 36 10.165 -9.129 -3.467 230 HG23 VAL 36 HG23 VAL 36 10.538 -7.440 -3.124 231 H GLU 37 H GLU 37 14.426 -8.678 -3.302 232 HA GLU 37 HA GLU 37 13.415 -9.511 -0.662 233 HB2 GLU 37 HB2 GLU 37 15.228 -10.966 -1.217 234 HB3 GLU 37 HB3 GLU 37 16.222 -9.622 -1.761 235 HG2 GLU 37 HG2 GLU 37 16.371 -8.789 0.518 236 HG3 GLU 37 HG3 GLU 37 15.342 -10.106 1.077 237 H CYS 38 H CYS 38 13.893 -8.176 1.110 238 HA CYS 38 HA CYS 38 13.901 -5.400 0.550 239 HB2 CYS 38 HB2 CYS 38 12.763 -6.181 2.512 240 HB3 CYS 38 HB3 CYS 38 14.227 -6.939 3.128 241 H LYS 39 H LYS 39 15.691 -4.602 -0.416 242 HA LYS 39 HA LYS 39 18.226 -4.871 1.059 243 HB2 LYS 39 HB2 LYS 39 17.629 -5.456 -1.739 244 HB3 LYS 39 HB3 LYS 39 18.969 -4.332 -1.552 245 HG2 LYS 39 HG2 LYS 39 20.050 -5.947 -0.018 246 HG3 LYS 39 HG3 LYS 39 18.741 -7.083 -0.350 247 HD2 LYS 39 HD2 LYS 39 20.580 -5.909 -2.434 248 HD3 LYS 39 HD3 LYS 39 20.764 -7.509 -1.711 249 HE2 LYS 39 HE2 LYS 39 18.559 -8.141 -2.576 250 HE3 LYS 39 HE3 LYS 39 18.391 -6.546 -3.307 251 HZ1 LYS 39 HZ1 LYS 39 20.647 -7.218 -4.413 252 HZ2 LYS 39 HZ2 LYS 39 19.176 -7.738 -5.066 253 HZ3 LYS 39 HZ3 LYS 39 20.096 -8.789 -4.111 254 H GLY 40 H GLY 40 19.411 -3.031 1.358 255 HA2 GLY 40 HA2 GLY 40 19.818 -0.780 1.548 256 HA3 GLY 40 HA3 GLY 40 19.241 -0.666 -0.108 257 H GLY 41 H GLY 41 17.050 -1.942 2.216 258 HA2 GLY 41 HA2 GLY 41 15.332 -0.927 3.430 259 HA3 GLY 41 HA3 GLY 41 15.867 0.638 2.834 260 H LYS 42 H LYS 42 15.674 -1.424 0.248 261 HA LYS 42 HA LYS 42 12.839 -0.859 -0.257 262 HB2 LYS 42 HB2 LYS 42 13.280 -0.003 -2.454 263 HB3 LYS 42 HB3 LYS 42 14.255 0.912 -1.311 264 HG2 LYS 42 HG2 LYS 42 16.043 0.459 -2.527 265 HG3 LYS 42 HG3 LYS 42 15.838 -1.254 -2.151 266 HD2 LYS 42 HD2 LYS 42 15.930 -0.983 -4.542 267 HD3 LYS 42 HD3 LYS 42 14.288 -1.440 -4.081 268 HE2 LYS 42 HE2 LYS 42 14.053 0.288 -5.669 269 HE3 LYS 42 HE3 LYS 42 13.742 1.032 -4.102 270 HZ1 LYS 42 HZ1 LYS 42 15.470 1.968 -5.951 271 HZ2 LYS 42 HZ2 LYS 42 16.503 1.132 -4.906 272 HZ3 LYS 42 HZ3 LYS 42 15.507 2.360 -4.306 273 H TRP 43 H TRP 43 11.807 -2.294 -1.666 274 HA TRP 43 HA TRP 43 12.865 -4.935 -1.687 275 HB2 TRP 43 HB2 TRP 43 10.410 -3.688 -2.918 276 HB3 TRP 43 HB3 TRP 43 10.806 -5.391 -3.132 277 HD1 TRP 43 HD1 TRP 43 8.942 -3.154 -0.891 278 HE1 TRP 43 HE1 TRP 43 8.290 -4.369 1.282 279 HE3 TRP 43 HE3 TRP 43 11.949 -7.266 -1.327 280 HZ2 TRP 43 HZ2 TRP 43 8.961 -6.755 2.633 281 HZ3 TRP 43 HZ3 TRP 43 11.884 -8.967 0.450 282 HH2 TRP 43 HH2 TRP 43 10.421 -8.715 2.388 283 H THR 44 H THR 44 14.324 -5.704 -3.049 284 HA THR 44 HA THR 44 14.328 -4.709 -5.823 285 HB THR 44 HB THR 44 16.744 -5.422 -4.150 286 HG1 THR 44 HG1 THR 44 15.973 -3.345 -3.694 287 HG21 THR 44 HG21 THR 44 16.488 -4.636 -7.052 288 HG22 THR 44 HG22 THR 44 17.155 -6.133 -6.399 289 HG23 THR 44 HG23 THR 44 18.008 -4.608 -6.158 290 H GLU 45 H GLU 45 14.497 -6.204 -7.426 291 HA GLU 45 HA GLU 45 13.814 -8.877 -6.881 292 HB2 GLU 45 HB2 GLU 45 13.498 -7.486 -9.044 293 HB3 GLU 45 HB3 GLU 45 15.127 -8.014 -9.442 294 HG2 GLU 45 HG2 GLU 45 14.477 -10.291 -9.479 295 HG3 GLU 45 HG3 GLU 45 12.907 -9.922 -8.767 296 H ILE 46 H ILE 46 15.002 -10.600 -6.384 297 HA ILE 46 HA ILE 46 17.918 -10.449 -6.790 298 HB ILE 46 HB ILE 46 18.216 -11.809 -4.775 299 HG12 ILE 46 HG12 ILE 46 15.272 -11.382 -4.244 300 HG13 ILE 46 HG13 ILE 46 15.923 -12.870 -4.924 301 HG21 ILE 46 HG21 ILE 46 16.549 -9.609 -3.732 302 HG22 ILE 46 HG22 ILE 46 18.232 -10.015 -3.402 303 HG23 ILE 46 HG23 ILE 46 17.806 -9.157 -4.883 304 HD11 ILE 46 HD11 ILE 46 15.487 -12.596 -2.346 305 HD12 ILE 46 HD12 ILE 46 16.862 -13.518 -2.956 306 HD13 ILE 46 HD13 ILE 46 17.091 -11.863 -2.391 307 H GLN 47 H GLN 47 15.050 -12.131 -7.417 308 HA GLN 47 HA GLN 47 16.541 -14.242 -8.751 309 HB2 GLN 47 HB2 GLN 47 15.868 -14.946 -6.350 310 HB3 GLN 47 HB3 GLN 47 14.235 -15.038 -6.997 311 HG2 GLN 47 HG2 GLN 47 15.568 -16.474 -8.847 312 HG3 GLN 47 HG3 GLN 47 16.542 -16.809 -7.416 313 HE21 GLN 47 HE21 GLN 47 13.375 -17.071 -8.856 314 HE22 GLN 47 HE22 GLN 47 12.771 -18.284 -7.783 315 H ASP 48 H ASP 48 15.347 -15.321 -10.386 316 HA ASP 48 HA ASP 48 12.838 -13.964 -11.130 317 HB2 ASP 48 HB2 ASP 48 14.558 -13.247 -12.653 318 HB3 ASP 48 HB3 ASP 48 15.093 -14.906 -12.909 319 H CYS 49 H CYS 49 11.157 -15.284 -11.054 320 HA CYS 49 HA CYS 49 11.497 -18.142 -10.985 321 HB2 CYS 49 HB2 CYS 49 9.239 -16.237 -10.605 322 HB3 CYS 49 HB3 CYS 49 8.840 -17.892 -11.056 323 H GLY 50 H GLY 50 10.734 -15.759 -13.364 324 HA2 GLY 50 HA2 GLY 50 10.722 -16.069 -15.676 325 HA3 GLY 50 HA3 GLY 50 10.697 -17.807 -15.418 326 H GLY 51 H GLY 51 8.480 -18.256 -13.967 327 HA2 GLY 51 HA2 GLY 51 6.347 -17.283 -15.761 328 HA3 GLY 51 HA3 GLY 51 6.346 -18.853 -14.970 329 H ALA 52 H ALA 52 4.317 -16.743 -14.924 330 HA ALA 52 HA ALA 52 4.395 -15.521 -12.331 331 HB1 ALA 52 HB1 ALA 52 2.162 -14.735 -12.838 332 HB2 ALA 52 HB2 ALA 52 3.215 -14.498 -14.233 333 HB3 ALA 52 HB3 ALA 52 2.062 -15.832 -14.216 334 H SER 53 H SER 53 4.841 -17.622 -11.223 335 HA SER 53 HA SER 53 2.326 -18.728 -10.247 336 HB2 SER 53 HB2 SER 53 4.218 -20.188 -11.921 337 HB3 SER 53 HB3 SER 53 3.926 -20.990 -10.378 338 HG SER 53 HG SER 53 1.779 -21.115 -10.845 339 H CYS 54 H CYS 54 4.925 -17.149 -9.474 340 HA CYS 54 HA CYS 54 6.053 -18.699 -7.348 341 HB2 CYS 54 HB2 CYS 54 7.152 -16.774 -8.667 342 HB3 CYS 54 HB3 CYS 54 6.255 -15.706 -7.593 343 H ARG 55 H ARG 55 5.261 -18.988 -5.377 344 HA ARG 55 HA ARG 55 3.525 -16.934 -4.210 345 HB2 ARG 55 HB2 ARG 55 2.559 -19.358 -5.217 346 HB3 ARG 55 HB3 ARG 55 2.634 -19.589 -3.475 347 HG2 ARG 55 HG2 ARG 55 1.167 -17.408 -4.941 348 HG3 ARG 55 HG3 ARG 55 0.457 -18.781 -4.089 349 HD2 ARG 55 HD2 ARG 55 1.955 -17.720 -2.118 350 HD3 ARG 55 HD3 ARG 55 1.581 -16.263 -3.039 351 HE ARG 55 HE ARG 55 -0.597 -16.420 -2.344 352 HH11 ARG 55 HH11 ARG 55 1.039 -19.423 -1.692 353 HH12 ARG 55 HH12 ARG 55 -0.267 -20.083 -0.764 354 HH21 ARG 55 HH21 ARG 55 -2.323 -17.278 -1.125 355 HH22 ARG 55 HH22 ARG 55 -2.179 -18.863 -0.443 356 H GLY 56 H GLY 56 3.749 -16.656 -2.029 357 HA2 GLY 56 HA2 GLY 56 5.512 -18.545 -0.608 358 HA3 GLY 56 HA3 GLY 56 5.820 -16.816 -0.543 359 H VAL 57 H VAL 57 5.648 -17.242 1.806 360 HA VAL 57 HA VAL 57 2.836 -17.311 2.690 361 HB VAL 57 HB VAL 57 3.675 -18.030 4.892 362 HG11 VAL 57 HG11 VAL 57 3.968 -19.587 2.419 363 HG12 VAL 57 HG12 VAL 57 4.797 -20.256 3.826 364 HG13 VAL 57 HG13 VAL 57 3.061 -19.946 3.888 365 HG21 VAL 57 HG21 VAL 57 6.363 -18.393 3.590 366 HG22 VAL 57 HG22 VAL 57 5.951 -16.976 4.556 367 HG23 VAL 57 HG23 VAL 57 5.942 -18.578 5.293 368 H SER 58 H SER 58 2.430 -16.070 4.735 369 HA SER 58 HA SER 58 3.058 -13.361 4.365 370 HB2 SER 58 HB2 SER 58 1.046 -14.238 5.575 371 HB3 SER 58 HB3 SER 58 2.097 -14.652 6.929 372 HG SER 58 HG SER 58 1.684 -12.678 7.530 373 H GLN 59 H GLN 59 4.823 -15.870 5.842 374 HA GLN 59 HA GLN 59 6.458 -14.006 7.401 375 HB2 GLN 59 HB2 GLN 59 6.628 -17.020 7.303 376 HB3 GLN 59 HB3 GLN 59 7.419 -15.955 8.458 377 HG2 GLN 59 HG2 GLN 59 5.690 -16.250 9.802 378 HG3 GLN 59 HG3 GLN 59 4.712 -15.341 8.651 379 HE21 GLN 59 HE21 GLN 59 2.830 -16.401 8.709 380 HE22 GLN 59 HE22 GLN 59 2.628 -18.080 8.355 381 H GLY 60 H GLY 60 6.377 -14.665 4.337 382 HA2 GLY 60 HA2 GLY 60 8.139 -14.067 2.856 383 HA3 GLY 60 HA3 GLY 60 9.298 -14.600 4.065 384 H GLY 61 H GLY 61 10.441 -16.209 3.203 385 HA2 GLY 61 HA2 GLY 61 10.957 -18.163 2.112 386 HA3 GLY 61 HA3 GLY 61 9.437 -18.750 2.771 387 H ALA 62 H ALA 62 9.965 -16.177 0.394 388 HA ALA 62 HA ALA 62 7.888 -16.995 -1.292 389 HB1 ALA 62 HB1 ALA 62 9.691 -14.863 -1.182 390 HB2 ALA 62 HB2 ALA 62 9.935 -15.608 -2.763 391 HB3 ALA 62 HB3 ALA 62 8.329 -15.058 -2.286 392 H ARG 63 H ARG 63 7.722 -18.594 -2.716 393 HA ARG 63 HA ARG 63 10.160 -19.676 -3.943 394 HB2 ARG 63 HB2 ARG 63 9.305 -21.970 -3.642 395 HB3 ARG 63 HB3 ARG 63 9.619 -21.172 -2.107 396 HG2 ARG 63 HG2 ARG 63 6.874 -20.909 -3.125 397 HG3 ARG 63 HG3 ARG 63 7.370 -22.541 -2.673 398 HD2 ARG 63 HD2 ARG 63 8.321 -21.075 -0.583 399 HD3 ARG 63 HD3 ARG 63 6.856 -20.187 -1.000 400 HE ARG 63 HE ARG 63 7.024 -22.817 0.163 401 HH11 ARG 63 HH11 ARG 63 5.055 -20.586 -1.644 402 HH12 ARG 63 HH12 ARG 63 3.560 -21.336 -1.192 403 HH21 ARG 63 HH21 ARG 63 5.063 -23.814 0.765 404 HH22 ARG 63 HH22 ARG 63 3.565 -23.171 0.179 405 H CYS 64 H CYS 64 9.859 -20.667 -5.980 406 HA CYS 64 HA CYS 64 7.884 -19.451 -7.597 407 HB2 CYS 64 HB2 CYS 64 9.779 -21.742 -8.143 408 HB3 CYS 64 HB3 CYS 64 8.752 -21.009 -9.371 Start of MODEL 4 1 H1 ASP 1 H ASP 1 2.060 -0.051 1.070 2 HA ASP 1 HA ASP 1 2.206 0.461 -1.819 3 HB2 ASP 1 HB2 ASP 1 4.662 0.362 -0.136 4 HB3 ASP 1 HB3 ASP 1 4.281 1.396 -1.510 5 H THR 2 H THR 2 1.661 -2.123 -0.209 6 HA THR 2 HA THR 2 3.875 -3.835 -0.818 7 HB THR 2 HB THR 2 1.849 -5.584 -0.444 8 HG1 THR 2 HG1 THR 2 1.105 -3.438 1.240 9 HG21 THR 2 HG21 THR 2 2.551 -4.611 2.142 10 HG22 THR 2 HG22 THR 2 3.961 -4.479 1.090 11 HG23 THR 2 HG23 THR 2 3.158 -6.035 1.299 12 H CYS 3 H CYS 3 1.008 -2.801 -2.476 13 HA CYS 3 HA CYS 3 1.884 -3.820 -4.959 14 HB2 CYS 3 HB2 CYS 3 1.038 -5.920 -3.758 15 HB3 CYS 3 HB3 CYS 3 -0.573 -5.230 -3.930 16 H GLY 4 H GLY 4 0.726 -1.442 -3.577 17 HA2 GLY 4 HA2 GLY 4 -0.667 0.307 -4.097 18 HA3 GLY 4 HA3 GLY 4 -0.732 -0.377 -5.714 19 H GLY 5 H GLY 5 -1.773 -2.437 -3.181 20 HA2 GLY 5 HA2 GLY 5 -4.057 -2.402 -2.262 21 HA3 GLY 5 HA3 GLY 5 -4.587 -1.801 -3.826 22 H GLY 6 H GLY 6 -4.733 -4.416 -1.965 23 HA2 GLY 6 HA2 GLY 6 -5.557 -6.518 -2.529 24 HA3 GLY 6 HA3 GLY 6 -5.248 -6.156 -4.221 25 H TYR 7 H TYR 7 -2.713 -5.689 -1.912 26 HA TYR 7 HA TYR 7 -0.955 -7.427 -3.280 27 HB2 TYR 7 HB2 TYR 7 0.668 -6.823 -1.671 28 HB3 TYR 7 HB3 TYR 7 -0.355 -5.402 -1.845 29 HD1 TYR 7 HD1 TYR 7 -2.257 -5.122 -0.114 30 HD2 TYR 7 HD2 TYR 7 1.071 -7.714 0.443 31 HE1 TYR 7 HE1 TYR 7 -2.661 -5.109 2.312 32 HE2 TYR 7 HE2 TYR 7 0.676 -7.709 2.870 33 HH TYR 7 HH TYR 7 -1.003 -5.545 4.455 34 H GLY 8 H GLY 8 -0.029 -9.399 -2.623 35 HA2 GLY 8 HA2 GLY 8 -1.883 -11.136 -1.242 36 HA3 GLY 8 HA3 GLY 8 -0.390 -11.618 -2.033 37 H VAL 9 H VAL 9 -0.457 -12.966 0.043 38 HA VAL 9 HA VAL 9 0.271 -11.614 2.475 39 HB VAL 9 HB VAL 9 0.653 -13.905 3.363 40 HG11 VAL 9 HG11 VAL 9 -1.973 -13.601 1.913 41 HG12 VAL 9 HG12 VAL 9 -1.667 -14.565 3.359 42 HG13 VAL 9 HG13 VAL 9 -1.563 -12.806 3.432 43 HG21 VAL 9 HG21 VAL 9 1.206 -15.479 1.881 44 HG22 VAL 9 HG22 VAL 9 -0.508 -15.552 1.473 45 HG23 VAL 9 HG23 VAL 9 0.580 -14.536 0.528 46 H ASP 10 H ASP 10 1.943 -13.314 -0.102 47 HA ASP 10 HA ASP 10 4.505 -12.636 1.187 48 HB2 ASP 10 HB2 ASP 10 4.058 -15.088 0.970 49 HB3 ASP 10 HB3 ASP 10 4.010 -14.880 -0.778 50 H GLN 11 H GLN 11 2.708 -11.148 -0.746 51 HA GLN 11 HA GLN 11 4.620 -10.839 -2.961 52 HB2 GLN 11 HB2 GLN 11 1.767 -9.859 -2.885 53 HB3 GLN 11 HB3 GLN 11 2.830 -9.949 -4.283 54 HG2 GLN 11 HG2 GLN 11 2.854 -12.509 -3.678 55 HG3 GLN 11 HG3 GLN 11 1.327 -12.102 -2.897 56 HE21 GLN 11 HE21 GLN 11 2.234 -13.599 -5.429 57 HE22 GLN 11 HE22 GLN 11 1.161 -13.001 -6.644 58 H ARG 12 H ARG 12 5.599 -8.921 -3.327 59 HA ARG 12 HA ARG 12 4.778 -6.618 -1.692 60 HB2 ARG 12 HB2 ARG 12 7.541 -7.767 -2.027 61 HB3 ARG 12 HB3 ARG 12 7.288 -6.092 -1.555 62 HG2 ARG 12 HG2 ARG 12 6.096 -8.401 -0.049 63 HG3 ARG 12 HG3 ARG 12 7.691 -7.737 0.313 64 HD2 ARG 12 HD2 ARG 12 6.705 -5.557 0.745 65 HD3 ARG 12 HD3 ARG 12 5.110 -6.176 0.318 66 HE ARG 12 HE ARG 12 6.430 -6.448 2.823 67 HH11 ARG 12 HH11 ARG 12 4.265 -8.067 0.628 68 HH12 ARG 12 HH12 ARG 12 3.491 -8.994 1.870 69 HH21 ARG 12 HH21 ARG 12 5.418 -7.664 4.466 70 HH22 ARG 12 HH22 ARG 12 4.147 -8.763 4.053 71 H ARG 13 H ARG 13 5.599 -4.540 -2.518 72 HA ARG 13 HA ARG 13 5.429 -4.498 -5.424 73 HB2 ARG 13 HB2 ARG 13 4.157 -2.959 -3.730 74 HB3 ARG 13 HB3 ARG 13 5.656 -2.040 -3.729 75 HG2 ARG 13 HG2 ARG 13 5.331 -1.244 -5.813 76 HG3 ARG 13 HG3 ARG 13 4.565 -2.731 -6.378 77 HD2 ARG 13 HD2 ARG 13 2.687 -1.496 -6.332 78 HD3 ARG 13 HD3 ARG 13 2.719 -1.853 -4.605 79 HE ARG 13 HE ARG 13 3.159 0.352 -4.204 80 HH11 ARG 13 HH11 ARG 13 3.863 -0.346 -7.541 81 HH12 ARG 13 HH12 ARG 13 4.159 1.308 -7.961 82 HH21 ARG 13 HH21 ARG 13 3.546 2.534 -4.744 83 HH22 ARG 13 HH22 ARG 13 3.979 2.946 -6.369 84 H THR 14 H THR 14 7.054 -3.969 -6.770 85 HA THR 14 HA THR 14 9.729 -3.984 -5.793 86 HB THR 14 HB THR 14 8.891 -3.174 -8.575 87 HG1 THR 14 HG1 THR 14 7.910 -5.111 -8.379 88 HG21 THR 14 HG21 THR 14 11.089 -3.135 -8.934 89 HG22 THR 14 HG22 THR 14 11.166 -4.848 -8.519 90 HG23 THR 14 HG23 THR 14 11.395 -3.627 -7.268 91 H ASN 15 H ASN 15 11.270 -2.343 -5.806 92 HA ASN 15 HA ASN 15 12.094 -0.235 -5.577 93 HB2 ASN 15 HB2 ASN 15 10.031 0.044 -7.666 94 HB3 ASN 15 HB3 ASN 15 10.452 1.540 -6.837 95 HD21 ASN 15 HD21 ASN 15 12.265 -1.312 -7.928 96 HD22 ASN 15 HD22 ASN 15 13.461 -0.425 -8.803 97 H SER 16 H SER 16 9.888 -1.371 -3.843 98 HA SER 16 HA SER 16 8.844 1.148 -2.738 99 HB2 SER 16 HB2 SER 16 6.896 0.083 -2.428 100 HB3 SER 16 HB3 SER 16 7.571 -1.303 -3.283 101 HG SER 16 HG SER 16 6.787 -1.798 -1.155 102 HA PRO 17 HA PRO 17 11.359 0.806 0.844 103 HB2 PRO 17 HB2 PRO 17 9.736 1.915 2.716 104 HB3 PRO 17 HB3 PRO 17 10.541 2.863 1.460 105 HG2 PRO 17 HG2 PRO 17 7.723 1.857 1.560 106 HG3 PRO 17 HG3 PRO 17 8.327 3.445 1.050 107 HD2 PRO 17 HD2 PRO 17 7.636 1.513 -0.717 108 HD3 PRO 17 HD3 PRO 17 8.930 2.684 -1.040 109 H CYS 18 H CYS 18 11.815 -0.719 2.321 110 HA CYS 18 HA CYS 18 9.601 -2.392 3.314 111 HB2 CYS 18 HB2 CYS 18 11.226 -4.290 3.334 112 HB3 CYS 18 HB3 CYS 18 10.860 -3.690 1.720 113 H GLN 19 H GLN 19 10.281 -3.657 5.321 114 HA GLN 19 HA GLN 19 11.276 -1.751 7.249 115 HB2 GLN 19 HB2 GLN 19 9.734 -4.242 7.303 116 HB3 GLN 19 HB3 GLN 19 10.876 -4.094 8.631 117 HG2 GLN 19 HG2 GLN 19 9.874 -2.105 9.404 118 HG3 GLN 19 HG3 GLN 19 8.929 -1.922 7.927 119 HE21 GLN 19 HE21 GLN 19 7.160 -3.318 7.573 120 HE22 GLN 19 HE22 GLN 19 6.385 -4.127 8.887 121 H ALA 20 H ALA 20 12.827 -2.507 8.960 122 HA ALA 20 HA ALA 20 15.285 -3.227 7.763 123 HB1 ALA 20 HB1 ALA 20 15.986 -2.196 9.597 124 HB2 ALA 20 HB2 ALA 20 14.380 -2.302 10.321 125 HB3 ALA 20 HB3 ALA 20 15.531 -3.622 10.529 126 H SER 21 H SER 21 12.950 -5.022 9.715 127 HA SER 21 HA SER 21 14.535 -7.373 9.948 128 HB2 SER 21 HB2 SER 21 11.794 -8.069 10.150 129 HB3 SER 21 HB3 SER 21 12.945 -7.814 11.462 130 HG SER 21 HG SER 21 10.947 -6.167 10.514 131 H ASN 22 H ASN 22 12.423 -6.116 7.512 132 HA ASN 22 HA ASN 22 11.794 -8.528 6.184 133 HB2 ASN 22 HB2 ASN 22 11.840 -5.641 5.342 134 HB3 ASN 22 HB3 ASN 22 11.485 -6.916 4.180 135 HD21 ASN 22 HD21 ASN 22 10.602 -6.647 7.590 136 HD22 ASN 22 HD22 ASN 22 8.894 -6.675 7.332 137 H GLY 23 H GLY 23 14.678 -6.696 6.381 138 HA2 GLY 23 HA2 GLY 23 15.860 -7.282 3.896 139 HA3 GLY 23 HA3 GLY 23 16.730 -6.908 5.376 140 H ASP 24 H ASP 24 15.116 -9.341 6.497 141 HA ASP 24 HA ASP 24 17.037 -11.352 5.526 142 HB2 ASP 24 HB2 ASP 24 16.889 -10.497 8.046 143 HB3 ASP 24 HB3 ASP 24 15.621 -11.717 8.122 144 H ARG 25 H ARG 25 14.533 -10.775 4.235 145 HA ARG 25 HA ARG 25 13.367 -13.443 4.372 146 HB2 ARG 25 HB2 ARG 25 11.513 -11.082 4.315 147 HB3 ARG 25 HB3 ARG 25 11.155 -12.758 4.710 148 HG2 ARG 25 HG2 ARG 25 12.504 -12.489 6.784 149 HG3 ARG 25 HG3 ARG 25 12.656 -10.773 6.401 150 HD2 ARG 25 HD2 ARG 25 10.639 -10.346 7.233 151 HD3 ARG 25 HD3 ARG 25 9.908 -11.601 6.233 152 HE ARG 25 HE ARG 25 11.248 -12.739 8.457 153 HH11 ARG 25 HH11 ARG 25 8.362 -11.004 7.570 154 HH12 ARG 25 HH12 ARG 25 7.419 -11.647 8.873 155 HH21 ARG 25 HH21 ARG 25 10.016 -13.591 10.177 156 HH22 ARG 25 HH22 ARG 25 8.360 -13.117 10.356 157 H HIS 26 H HIS 26 11.854 -13.832 2.529 158 HA HIS 26 HA HIS 26 12.582 -12.203 0.186 159 HB2 HIS 26 HB2 HIS 26 12.450 -15.206 0.441 160 HB3 HIS 26 HB3 HIS 26 12.410 -14.389 -1.119 161 HD1 HIS 26 HD1 HIS 26 14.705 -16.296 -0.463 162 HD2 HIS 26 HD2 HIS 26 14.832 -12.203 0.238 163 HE1 HIS 26 HE1 HIS 26 17.148 -15.702 -0.394 164 H PHE 27 H PHE 27 10.993 -11.819 -1.324 165 HA PHE 27 HA PHE 27 8.336 -12.956 -0.820 166 HB2 PHE 27 HB2 PHE 27 9.059 -10.039 -0.969 167 HB3 PHE 27 HB3 PHE 27 7.436 -10.598 -1.360 168 HD1 PHE 27 HD1 PHE 27 9.998 -10.905 1.330 169 HD2 PHE 27 HD2 PHE 27 5.870 -10.685 0.318 170 HE1 PHE 27 HE1 PHE 27 9.418 -10.873 3.721 171 HE2 PHE 27 HE2 PHE 27 5.282 -10.652 2.707 172 HZ PHE 27 HZ PHE 27 7.057 -10.746 4.412 173 H CYS 28 H CYS 28 7.034 -13.193 -2.622 174 HA CYS 28 HA CYS 28 8.444 -13.069 -5.169 175 HB2 CYS 28 HB2 CYS 28 6.008 -14.490 -4.164 176 HB3 CYS 28 HB3 CYS 28 6.205 -14.246 -5.896 177 H GLY 29 H GLY 29 8.156 -11.472 -6.574 178 HA2 GLY 29 HA2 GLY 29 6.713 -9.193 -6.213 179 HA3 GLY 29 HA3 GLY 29 7.111 -9.824 -7.804 180 H CYS 30 H CYS 30 4.773 -8.336 -7.133 181 HA CYS 30 HA CYS 30 2.504 -9.904 -6.682 182 HB2 CYS 30 HB2 CYS 30 3.074 -7.207 -7.657 183 HB3 CYS 30 HB3 CYS 30 1.618 -7.899 -8.364 184 H ASP 31 H ASP 31 4.530 -9.663 -9.434 185 HA ASP 31 HA ASP 31 2.556 -10.615 -11.318 186 HB2 ASP 31 HB2 ASP 31 5.501 -10.022 -11.483 187 HB3 ASP 31 HB3 ASP 31 4.662 -10.843 -12.796 188 H ARG 32 H ARG 32 4.461 -12.016 -8.946 189 HA ARG 32 HA ARG 32 5.023 -14.155 -8.412 190 HB2 ARG 32 HB2 ARG 32 2.887 -14.893 -10.420 191 HB3 ARG 32 HB3 ARG 32 3.510 -15.915 -9.131 192 HG2 ARG 32 HG2 ARG 32 2.065 -15.077 -7.677 193 HG3 ARG 32 HG3 ARG 32 2.541 -13.424 -8.068 194 HD2 ARG 32 HD2 ARG 32 0.411 -13.281 -8.800 195 HD3 ARG 32 HD3 ARG 32 1.091 -14.014 -10.252 196 HE ARG 32 HE ARG 32 0.269 -16.011 -8.423 197 HH11 ARG 32 HH11 ARG 32 -0.981 -13.681 -10.687 198 HH12 ARG 32 HH12 ARG 32 -2.420 -14.585 -11.023 199 HH21 ARG 32 HH21 ARG 32 -1.622 -17.211 -8.857 200 HH22 ARG 32 HH22 ARG 32 -2.784 -16.592 -9.981 201 H THR 33 H THR 33 6.146 -12.786 -10.901 202 HA THR 33 HA THR 33 7.096 -15.184 -12.316 203 HB THR 33 HB THR 33 7.899 -13.538 -14.057 204 HG1 THR 33 HG1 THR 33 7.268 -11.446 -13.904 205 HG21 THR 33 HG21 THR 33 4.969 -13.810 -13.415 206 HG22 THR 33 HG22 THR 33 5.929 -14.753 -14.555 207 HG23 THR 33 HG23 THR 33 5.553 -13.066 -14.903 208 H GLY 34 H GLY 34 8.031 -12.710 -10.157 209 HA2 GLY 34 HA2 GLY 34 10.785 -13.701 -10.233 210 HA3 GLY 34 HA3 GLY 34 10.536 -11.976 -10.453 211 H ILE 35 H ILE 35 12.033 -13.185 -8.353 212 HA ILE 35 HA ILE 35 10.335 -12.640 -6.010 213 HB ILE 35 HB ILE 35 13.018 -14.005 -5.939 214 HG12 ILE 35 HG12 ILE 35 10.286 -15.283 -6.186 215 HG13 ILE 35 HG13 ILE 35 11.547 -15.299 -7.413 216 HG21 ILE 35 HG21 ILE 35 12.145 -13.067 -3.840 217 HG22 ILE 35 HG22 ILE 35 10.690 -14.044 -4.024 218 HG23 ILE 35 HG23 ILE 35 12.253 -14.827 -3.790 219 HD11 ILE 35 HD11 ILE 35 11.730 -17.382 -6.437 220 HD12 ILE 35 HD12 ILE 35 12.972 -16.450 -5.600 221 HD13 ILE 35 HD13 ILE 35 11.424 -16.762 -4.814 222 H VAL 36 H VAL 36 10.785 -10.973 -4.698 223 HA VAL 36 HA VAL 36 13.290 -9.490 -5.172 224 HB VAL 36 HB VAL 36 12.163 -7.419 -4.754 225 HG11 VAL 36 HG11 VAL 36 10.060 -8.302 -6.497 226 HG12 VAL 36 HG12 VAL 36 11.484 -7.328 -6.868 227 HG13 VAL 36 HG13 VAL 36 11.577 -9.089 -6.931 228 HG21 VAL 36 HG21 VAL 36 9.457 -7.898 -4.638 229 HG22 VAL 36 HG22 VAL 36 10.127 -9.163 -3.608 230 HG23 VAL 36 HG23 VAL 36 10.488 -7.469 -3.273 231 H GLU 37 H GLU 37 14.391 -8.696 -3.408 232 HA GLU 37 HA GLU 37 13.359 -9.500 -0.767 233 HB2 GLU 37 HB2 GLU 37 15.175 -10.967 -1.315 234 HB3 GLU 37 HB3 GLU 37 16.182 -9.620 -1.828 235 HG2 GLU 37 HG2 GLU 37 16.393 -8.833 0.417 236 HG3 GLU 37 HG3 GLU 37 15.213 -10.009 0.991 237 H CYS 38 H CYS 38 13.838 -8.150 0.995 238 HA CYS 38 HA CYS 38 13.857 -5.379 0.407 239 HB2 CYS 38 HB2 CYS 38 12.706 -6.111 2.370 240 HB3 CYS 38 HB3 CYS 38 14.147 -6.908 2.994 241 H LYS 39 H LYS 39 15.654 -4.600 -0.561 242 HA LYS 39 HA LYS 39 18.187 -4.882 0.916 243 HB2 LYS 39 HB2 LYS 39 17.818 -4.741 -2.082 244 HB3 LYS 39 HB3 LYS 39 19.369 -4.739 -1.254 245 HG2 LYS 39 HG2 LYS 39 18.305 -6.979 -0.222 246 HG3 LYS 39 HG3 LYS 39 17.512 -6.959 -1.799 247 HD2 LYS 39 HD2 LYS 39 19.498 -7.174 -2.950 248 HD3 LYS 39 HD3 LYS 39 20.454 -6.480 -1.638 249 HE2 LYS 39 HE2 LYS 39 19.709 -8.608 -0.337 250 HE3 LYS 39 HE3 LYS 39 19.381 -9.255 -1.945 251 HZ1 LYS 39 HZ1 LYS 39 21.906 -8.056 -1.985 252 HZ2 LYS 39 HZ2 LYS 39 21.525 -9.695 -2.158 253 HZ3 LYS 39 HZ3 LYS 39 21.842 -9.057 -0.623 254 H GLY 40 H GLY 40 19.351 -3.049 1.275 255 HA2 GLY 40 HA2 GLY 40 19.762 -0.802 1.499 256 HA3 GLY 40 HA3 GLY 40 19.222 -0.667 -0.168 257 H GLY 41 H GLY 41 16.989 -1.953 2.118 258 HA2 GLY 41 HA2 GLY 41 15.254 -0.936 3.306 259 HA3 GLY 41 HA3 GLY 41 15.795 0.628 2.714 260 H LYS 42 H LYS 42 15.635 -1.456 0.137 261 HA LYS 42 HA LYS 42 12.811 -0.878 -0.413 262 HB2 LYS 42 HB2 LYS 42 13.267 -0.008 -2.581 263 HB3 LYS 42 HB3 LYS 42 14.313 0.856 -1.462 264 HG2 LYS 42 HG2 LYS 42 16.049 0.313 -2.716 265 HG3 LYS 42 HG3 LYS 42 15.763 -1.388 -2.345 266 HD2 LYS 42 HD2 LYS 42 15.815 -1.103 -4.736 267 HD3 LYS 42 HD3 LYS 42 14.165 -1.483 -4.239 268 HE2 LYS 42 HE2 LYS 42 13.981 0.266 -5.813 269 HE3 LYS 42 HE3 LYS 42 13.735 1.010 -4.234 270 HZ1 LYS 42 HZ1 LYS 42 15.513 2.292 -4.507 271 HZ2 LYS 42 HZ2 LYS 42 15.509 1.828 -6.133 272 HZ3 LYS 42 HZ3 LYS 42 16.484 1.007 -5.022 273 H TRP 43 H TRP 43 11.790 -2.318 -1.829 274 HA TRP 43 HA TRP 43 12.859 -4.965 -1.819 275 HB2 TRP 43 HB2 TRP 43 10.374 -3.751 -3.025 276 HB3 TRP 43 HB3 TRP 43 10.777 -5.455 -3.209 277 HD1 TRP 43 HD1 TRP 43 8.988 -3.148 -0.953 278 HE1 TRP 43 HE1 TRP 43 8.358 -4.333 1.243 279 HE3 TRP 43 HE3 TRP 43 11.888 -7.331 -1.428 280 HZ2 TRP 43 HZ2 TRP 43 9.005 -6.725 2.596 281 HZ3 TRP 43 HZ3 TRP 43 11.825 -9.019 0.361 282 HH2 TRP 43 HH2 TRP 43 10.413 -8.720 2.331 283 H THR 44 H THR 44 14.304 -5.725 -3.201 284 HA THR 44 HA THR 44 14.241 -4.757 -5.984 285 HB THR 44 HB THR 44 16.710 -5.453 -4.380 286 HG1 THR 44 HG1 THR 44 16.355 -3.424 -3.795 287 HG21 THR 44 HG21 THR 44 16.207 -5.098 -7.259 288 HG22 THR 44 HG22 THR 44 17.512 -5.948 -6.431 289 HG23 THR 44 HG23 THR 44 17.582 -4.197 -6.623 290 H GLU 45 H GLU 45 14.433 -6.263 -7.581 291 HA GLU 45 HA GLU 45 13.769 -8.935 -7.010 292 HB2 GLU 45 HB2 GLU 45 13.406 -7.601 -9.178 293 HB3 GLU 45 HB3 GLU 45 15.060 -8.041 -9.577 294 HG2 GLU 45 HG2 GLU 45 14.512 -10.373 -9.543 295 HG3 GLU 45 HG3 GLU 45 12.889 -10.026 -8.948 296 H ILE 46 H ILE 46 14.970 -10.635 -6.474 297 HA ILE 46 HA ILE 46 17.885 -10.469 -6.888 298 HB ILE 46 HB ILE 46 18.183 -11.824 -4.866 299 HG12 ILE 46 HG12 ILE 46 15.239 -11.393 -4.343 300 HG13 ILE 46 HG13 ILE 46 15.890 -12.886 -5.012 301 HG21 ILE 46 HG21 ILE 46 18.298 -9.396 -4.705 302 HG22 ILE 46 HG22 ILE 46 16.563 -9.324 -4.404 303 HG23 ILE 46 HG23 ILE 46 17.630 -10.092 -3.229 304 HD11 ILE 46 HD11 ILE 46 15.449 -12.604 -2.439 305 HD12 ILE 46 HD12 ILE 46 16.834 -13.517 -3.039 306 HD13 ILE 46 HD13 ILE 46 17.046 -11.858 -2.480 307 H GLN 47 H GLN 47 15.035 -12.171 -7.527 308 HA GLN 47 HA GLN 47 16.545 -14.276 -8.846 309 HB2 GLN 47 HB2 GLN 47 15.885 -14.983 -6.446 310 HB3 GLN 47 HB3 GLN 47 14.249 -15.083 -7.083 311 HG2 GLN 47 HG2 GLN 47 15.582 -16.515 -8.938 312 HG3 GLN 47 HG3 GLN 47 16.558 -16.846 -7.508 313 HE21 GLN 47 HE21 GLN 47 13.383 -17.106 -8.934 314 HE22 GLN 47 HE22 GLN 47 12.787 -18.324 -7.863 315 H ASP 48 H ASP 48 15.362 -15.371 -10.478 316 HA ASP 48 HA ASP 48 12.848 -14.030 -11.234 317 HB2 ASP 48 HB2 ASP 48 14.995 -13.609 -12.641 318 HB3 ASP 48 HB3 ASP 48 14.714 -15.236 -13.255 319 H CYS 49 H CYS 49 11.162 -15.344 -11.162 320 HA CYS 49 HA CYS 49 11.498 -18.202 -11.044 321 HB2 CYS 49 HB2 CYS 49 9.245 -16.288 -10.692 322 HB3 CYS 49 HB3 CYS 49 8.840 -17.945 -11.128 323 H GLY 50 H GLY 50 10.742 -15.851 -13.458 324 HA2 GLY 50 HA2 GLY 50 10.742 -16.197 -15.766 325 HA3 GLY 50 HA3 GLY 50 10.703 -17.931 -15.482 326 H GLY 51 H GLY 51 8.475 -18.328 -14.021 327 HA2 GLY 51 HA2 GLY 51 6.355 -17.365 -15.836 328 HA3 GLY 51 HA3 GLY 51 6.341 -18.928 -15.033 329 H ALA 52 H ALA 52 4.329 -16.803 -15.009 330 HA ALA 52 HA ALA 52 4.409 -15.562 -12.425 331 HB1 ALA 52 HB1 ALA 52 2.087 -15.867 -14.326 332 HB2 ALA 52 HB2 ALA 52 2.174 -14.772 -12.945 333 HB3 ALA 52 HB3 ALA 52 3.244 -14.535 -14.327 334 H SER 53 H SER 53 4.837 -17.668 -11.309 335 HA SER 53 HA SER 53 2.310 -18.739 -10.325 336 HB2 SER 53 HB2 SER 53 4.163 -20.224 -12.011 337 HB3 SER 53 HB3 SER 53 3.904 -21.016 -10.457 338 HG SER 53 HG SER 53 1.768 -21.185 -10.884 339 H CYS 54 H CYS 54 4.917 -17.182 -9.556 340 HA CYS 54 HA CYS 54 6.045 -18.737 -7.434 341 HB2 CYS 54 HB2 CYS 54 7.146 -16.813 -8.751 342 HB3 CYS 54 HB3 CYS 54 6.251 -15.743 -7.677 343 H ARG 55 H ARG 55 5.246 -19.037 -5.469 344 HA ARG 55 HA ARG 55 3.533 -16.976 -4.283 345 HB2 ARG 55 HB2 ARG 55 2.535 -19.377 -5.316 346 HB3 ARG 55 HB3 ARG 55 2.604 -19.626 -3.577 347 HG2 ARG 55 HG2 ARG 55 1.169 -17.412 -5.025 348 HG3 ARG 55 HG3 ARG 55 0.439 -18.782 -4.186 349 HD2 ARG 55 HD2 ARG 55 1.952 -17.755 -2.205 350 HD3 ARG 55 HD3 ARG 55 1.592 -16.288 -3.114 351 HE ARG 55 HE ARG 55 -0.553 -16.399 -2.345 352 HH11 ARG 55 HH11 ARG 55 0.925 -19.531 -1.991 353 HH12 ARG 55 HH12 ARG 55 -0.417 -20.212 -1.132 354 HH21 ARG 55 HH21 ARG 55 -2.326 -17.283 -1.216 355 HH22 ARG 55 HH22 ARG 55 -2.266 -18.933 -0.693 356 H GLY 56 H GLY 56 3.760 -16.723 -2.100 357 HA2 GLY 56 HA2 GLY 56 5.488 -18.656 -0.695 358 HA3 GLY 56 HA3 GLY 56 5.833 -16.934 -0.618 359 H VAL 57 H VAL 57 5.653 -17.361 1.727 360 HA VAL 57 HA VAL 57 2.842 -17.388 2.613 361 HB VAL 57 HB VAL 57 3.660 -18.135 4.807 362 HG11 VAL 57 HG11 VAL 57 4.082 -19.698 2.329 363 HG12 VAL 57 HG12 VAL 57 4.725 -20.378 3.825 364 HG13 VAL 57 HG13 VAL 57 3.007 -20.001 3.694 365 HG21 VAL 57 HG21 VAL 57 5.924 -18.708 5.218 366 HG22 VAL 57 HG22 VAL 57 6.362 -18.481 3.524 367 HG23 VAL 57 HG23 VAL 57 5.937 -17.089 4.520 368 H SER 58 H SER 58 2.490 -16.166 4.701 369 HA SER 58 HA SER 58 3.131 -13.458 4.326 370 HB2 SER 58 HB2 SER 58 1.126 -14.272 5.552 371 HB3 SER 58 HB3 SER 58 2.174 -14.788 6.873 372 HG SER 58 HG SER 58 1.091 -12.471 6.648 373 H GLN 59 H GLN 59 4.904 -15.988 5.749 374 HA GLN 59 HA GLN 59 6.562 -14.165 7.325 375 HB2 GLN 59 HB2 GLN 59 6.914 -17.147 7.116 376 HB3 GLN 59 HB3 GLN 59 7.469 -16.071 8.392 377 HG2 GLN 59 HG2 GLN 59 4.715 -17.101 7.862 378 HG3 GLN 59 HG3 GLN 59 5.667 -17.170 9.344 379 HE21 GLN 59 HE21 GLN 59 2.940 -16.076 8.579 380 HE22 GLN 59 HE22 GLN 59 2.931 -14.482 9.244 381 H GLY 60 H GLY 60 6.426 -14.753 4.234 382 HA2 GLY 60 HA2 GLY 60 8.124 -14.108 2.712 383 HA3 GLY 60 HA3 GLY 60 9.331 -14.571 3.902 384 H GLY 61 H GLY 61 10.529 -16.165 3.105 385 HA2 GLY 61 HA2 GLY 61 11.129 -18.093 2.008 386 HA3 GLY 61 HA3 GLY 61 9.638 -18.740 2.676 387 H ALA 62 H ALA 62 9.866 -16.104 0.352 388 HA ALA 62 HA ALA 62 7.878 -16.996 -1.334 389 HB1 ALA 62 HB1 ALA 62 9.672 -14.860 -1.290 390 HB2 ALA 62 HB2 ALA 62 9.917 -15.640 -2.853 391 HB3 ALA 62 HB3 ALA 62 8.309 -15.087 -2.386 392 H ARG 63 H ARG 63 7.693 -18.582 -2.777 393 HA ARG 63 HA ARG 63 10.122 -19.723 -3.966 394 HB2 ARG 63 HB2 ARG 63 9.205 -21.998 -3.662 395 HB3 ARG 63 HB3 ARG 63 9.542 -21.199 -2.132 396 HG2 ARG 63 HG2 ARG 63 6.796 -21.026 -3.265 397 HG3 ARG 63 HG3 ARG 63 7.319 -22.529 -2.503 398 HD2 ARG 63 HD2 ARG 63 8.063 -21.038 -0.547 399 HD3 ARG 63 HD3 ARG 63 7.059 -19.796 -1.294 400 HE ARG 63 HE ARG 63 5.375 -21.889 -1.133 401 HH11 ARG 63 HH11 ARG 63 7.474 -20.369 1.193 402 HH12 ARG 63 HH12 ARG 63 6.462 -20.748 2.548 403 HH21 ARG 63 HH21 ARG 63 4.035 -22.394 0.643 404 HH22 ARG 63 HH22 ARG 63 4.507 -21.900 2.234 405 H CYS 64 H CYS 64 9.835 -20.699 -6.005 406 HA CYS 64 HA CYS 64 7.889 -19.468 -7.646 407 HB2 CYS 64 HB2 CYS 64 9.783 -21.766 -8.156 408 HB3 CYS 64 HB3 CYS 64 8.758 -21.061 -9.401 Start of MODEL 5 1 H1 ASP 1 H ASP 1 2.076 -0.165 1.043 2 HA ASP 1 HA ASP 1 1.947 0.361 -1.850 3 HB2 ASP 1 HB2 ASP 1 4.537 0.395 -0.366 4 HB3 ASP 1 HB3 ASP 1 4.029 1.347 -1.759 5 H THR 2 H THR 2 1.658 -2.198 -0.127 6 HA THR 2 HA THR 2 3.854 -3.866 -0.810 7 HB THR 2 HB THR 2 1.832 -5.644 -0.444 8 HG1 THR 2 HG1 THR 2 0.403 -3.743 -0.158 9 HG21 THR 2 HG21 THR 2 3.955 -4.507 1.101 10 HG22 THR 2 HG22 THR 2 3.248 -6.119 1.208 11 HG23 THR 2 HG23 THR 2 2.565 -4.793 2.148 12 H CYS 3 H CYS 3 0.911 -2.951 -2.432 13 HA CYS 3 HA CYS 3 1.825 -3.955 -4.926 14 HB2 CYS 3 HB2 CYS 3 0.994 -6.050 -3.725 15 HB3 CYS 3 HB3 CYS 3 -0.621 -5.364 -3.865 16 H GLY 4 H GLY 4 0.663 -1.565 -3.569 17 HA2 GLY 4 HA2 GLY 4 -0.736 0.174 -4.103 18 HA3 GLY 4 HA3 GLY 4 -0.794 -0.521 -5.715 19 H GLY 5 H GLY 5 -1.838 -2.559 -3.163 20 HA2 GLY 5 HA2 GLY 5 -4.130 -2.508 -2.256 21 HA3 GLY 5 HA3 GLY 5 -4.650 -1.949 -3.839 22 H GLY 6 H GLY 6 -4.802 -4.518 -1.917 23 HA2 GLY 6 HA2 GLY 6 -5.586 -6.646 -2.420 24 HA3 GLY 6 HA3 GLY 6 -5.308 -6.314 -4.123 25 H TYR 7 H TYR 7 -2.749 -5.779 -1.852 26 HA TYR 7 HA TYR 7 -0.982 -7.509 -3.215 27 HB2 TYR 7 HB2 TYR 7 0.645 -6.877 -1.618 28 HB3 TYR 7 HB3 TYR 7 -0.390 -5.466 -1.808 29 HD1 TYR 7 HD1 TYR 7 1.057 -7.744 0.505 30 HD2 TYR 7 HD2 TYR 7 -2.283 -5.172 -0.073 31 HE1 TYR 7 HE1 TYR 7 0.672 -7.709 2.934 32 HE2 TYR 7 HE2 TYR 7 -2.677 -5.129 2.355 33 HH TYR 7 HH TYR 7 -1.789 -5.637 4.374 34 H GLY 8 H GLY 8 -0.005 -9.454 -2.524 35 HA2 GLY 8 HA2 GLY 8 -1.834 -11.204 -1.117 36 HA3 GLY 8 HA3 GLY 8 -0.344 -11.676 -1.921 37 H VAL 9 H VAL 9 -0.369 -13.005 0.167 38 HA VAL 9 HA VAL 9 0.380 -11.617 2.575 39 HB VAL 9 HB VAL 9 0.801 -13.908 3.474 40 HG11 VAL 9 HG11 VAL 9 -1.506 -12.640 3.221 41 HG12 VAL 9 HG12 VAL 9 -1.878 -14.025 2.192 42 HG13 VAL 9 HG13 VAL 9 -1.416 -14.275 3.876 43 HG21 VAL 9 HG21 VAL 9 0.697 -14.553 0.665 44 HG22 VAL 9 HG22 VAL 9 1.242 -15.537 2.022 45 HG23 VAL 9 HG23 VAL 9 -0.464 -15.515 1.578 46 H ASP 10 H ASP 10 2.021 -13.327 -0.012 47 HA ASP 10 HA ASP 10 4.600 -12.639 1.241 48 HB2 ASP 10 HB2 ASP 10 4.155 -15.092 1.035 49 HB3 ASP 10 HB3 ASP 10 4.083 -14.889 -0.713 50 H GLN 11 H GLN 11 2.779 -11.151 -0.664 51 HA GLN 11 HA GLN 11 4.655 -10.848 -2.910 52 HB2 GLN 11 HB2 GLN 11 1.798 -9.882 -2.781 53 HB3 GLN 11 HB3 GLN 11 2.840 -9.938 -4.196 54 HG2 GLN 11 HG2 GLN 11 2.900 -12.511 -3.612 55 HG3 GLN 11 HG3 GLN 11 1.367 -12.121 -2.832 56 HE21 GLN 11 HE21 GLN 11 2.291 -13.590 -5.373 57 HE22 GLN 11 HE22 GLN 11 1.218 -12.989 -6.586 58 H ARG 12 H ARG 12 5.605 -8.916 -3.319 59 HA ARG 12 HA ARG 12 4.806 -6.606 -1.690 60 HB2 ARG 12 HB2 ARG 12 7.570 -7.765 -1.985 61 HB3 ARG 12 HB3 ARG 12 7.310 -6.091 -1.516 62 HG2 ARG 12 HG2 ARG 12 6.102 -8.402 -0.026 63 HG3 ARG 12 HG3 ARG 12 7.690 -7.734 0.357 64 HD2 ARG 12 HD2 ARG 12 6.774 -5.642 0.952 65 HD3 ARG 12 HD3 ARG 12 5.216 -6.032 0.224 66 HE ARG 12 HE ARG 12 5.433 -7.901 2.140 67 HH11 ARG 12 HH11 ARG 12 5.867 -4.447 2.182 68 HH12 ARG 12 HH12 ARG 12 5.368 -4.273 3.832 69 HH21 ARG 12 HH21 ARG 12 4.774 -7.685 4.313 70 HH22 ARG 12 HH22 ARG 12 4.747 -6.116 5.044 71 H ARG 13 H ARG 13 5.644 -4.542 -2.529 72 HA ARG 13 HA ARG 13 5.525 -4.537 -5.440 73 HB2 ARG 13 HB2 ARG 13 4.138 -3.002 -3.945 74 HB3 ARG 13 HB3 ARG 13 5.631 -2.127 -3.634 75 HG2 ARG 13 HG2 ARG 13 4.875 -0.886 -5.362 76 HG3 ARG 13 HG3 ARG 13 5.713 -2.128 -6.294 77 HD2 ARG 13 HD2 ARG 13 3.313 -3.305 -6.008 78 HD3 ARG 13 HD3 ARG 13 2.822 -1.612 -5.975 79 HE ARG 13 HE ARG 13 4.592 -2.177 -8.141 80 HH11 ARG 13 HH11 ARG 13 1.282 -2.402 -7.086 81 HH12 ARG 13 HH12 ARG 13 0.632 -2.379 -8.692 82 HH21 ARG 13 HH21 ARG 13 3.748 -2.147 -10.260 83 HH22 ARG 13 HH22 ARG 13 2.036 -2.235 -10.496 84 H THR 14 H THR 14 7.154 -3.932 -6.768 85 HA THR 14 HA THR 14 9.818 -3.976 -5.756 86 HB THR 14 HB THR 14 9.026 -3.101 -8.530 87 HG1 THR 14 HG1 THR 14 9.321 -5.755 -7.525 88 HG21 THR 14 HG21 THR 14 11.230 -3.074 -8.849 89 HG22 THR 14 HG22 THR 14 11.281 -4.798 -8.484 90 HG23 THR 14 HG23 THR 14 11.504 -3.616 -7.194 91 H ASN 15 H ASN 15 11.365 -2.335 -5.733 92 HA ASN 15 HA ASN 15 12.183 -0.233 -5.439 93 HB2 ASN 15 HB2 ASN 15 10.124 0.113 -7.535 94 HB3 ASN 15 HB3 ASN 15 10.605 1.581 -6.690 95 HD21 ASN 15 HD21 ASN 15 12.298 -1.322 -7.836 96 HD22 ASN 15 HD22 ASN 15 13.524 -0.469 -8.705 97 H SER 16 H SER 16 10.015 -1.396 -3.721 98 HA SER 16 HA SER 16 8.917 1.097 -2.607 99 HB2 SER 16 HB2 SER 16 7.968 -1.762 -2.476 100 HB3 SER 16 HB3 SER 16 7.375 -0.536 -1.355 101 HG SER 16 HG SER 16 6.289 0.400 -2.928 102 HA PRO 17 HA PRO 17 11.428 0.749 0.978 103 HB2 PRO 17 HB2 PRO 17 9.795 1.854 2.845 104 HB3 PRO 17 HB3 PRO 17 10.607 2.805 1.595 105 HG2 PRO 17 HG2 PRO 17 7.788 1.799 1.679 106 HG3 PRO 17 HG3 PRO 17 8.395 3.387 1.176 107 HD2 PRO 17 HD2 PRO 17 7.712 1.459 -0.599 108 HD3 PRO 17 HD3 PRO 17 9.008 2.630 -0.913 109 H CYS 18 H CYS 18 11.878 -0.784 2.448 110 HA CYS 18 HA CYS 18 9.660 -2.458 3.429 111 HB2 CYS 18 HB2 CYS 18 11.337 -4.339 3.479 112 HB3 CYS 18 HB3 CYS 18 10.889 -3.787 1.868 113 H GLN 19 H GLN 19 10.313 -3.716 5.441 114 HA GLN 19 HA GLN 19 11.312 -1.817 7.372 115 HB2 GLN 19 HB2 GLN 19 9.762 -4.309 7.423 116 HB3 GLN 19 HB3 GLN 19 10.880 -4.136 8.769 117 HG2 GLN 19 HG2 GLN 19 9.789 -2.311 9.624 118 HG3 GLN 19 HG3 GLN 19 9.108 -1.852 8.065 119 HE21 GLN 19 HE21 GLN 19 7.005 -1.735 8.666 120 HE22 GLN 19 HE22 GLN 19 6.076 -3.092 9.196 121 H ALA 20 H ALA 20 12.839 -2.597 9.101 122 HA ALA 20 HA ALA 20 15.305 -3.315 7.933 123 HB1 ALA 20 HB1 ALA 20 14.781 -3.556 10.871 124 HB2 ALA 20 HB2 ALA 20 16.242 -3.025 10.037 125 HB3 ALA 20 HB3 ALA 20 14.825 -1.976 10.088 126 H SER 21 H SER 21 12.948 -5.143 9.834 127 HA SER 21 HA SER 21 14.517 -7.507 10.014 128 HB2 SER 21 HB2 SER 21 12.535 -8.557 10.892 129 HB3 SER 21 HB3 SER 21 12.608 -6.919 11.540 130 HG SER 21 HG SER 21 10.973 -7.897 9.445 131 H ASN 22 H ASN 22 12.422 -6.182 7.600 132 HA ASN 22 HA ASN 22 11.730 -8.524 6.213 133 HB2 ASN 22 HB2 ASN 22 12.113 -5.703 5.186 134 HB3 ASN 22 HB3 ASN 22 11.357 -7.006 4.274 135 HD21 ASN 22 HD21 ASN 22 9.619 -5.339 4.256 136 HD22 ASN 22 HD22 ASN 22 8.476 -5.370 5.551 137 H GLY 23 H GLY 23 14.713 -6.864 6.496 138 HA2 GLY 23 HA2 GLY 23 15.920 -7.522 4.039 139 HA3 GLY 23 HA3 GLY 23 16.773 -7.187 5.538 140 H ASP 24 H ASP 24 14.999 -9.523 6.626 141 HA ASP 24 HA ASP 24 16.831 -11.641 5.713 142 HB2 ASP 24 HB2 ASP 24 16.633 -10.753 8.235 143 HB3 ASP 24 HB3 ASP 24 15.345 -11.954 8.267 144 H ARG 25 H ARG 25 14.340 -10.891 4.417 145 HA ARG 25 HA ARG 25 13.064 -13.512 4.481 146 HB2 ARG 25 HB2 ARG 25 11.300 -11.086 4.480 147 HB3 ARG 25 HB3 ARG 25 10.889 -12.753 4.859 148 HG2 ARG 25 HG2 ARG 25 12.231 -12.564 6.932 149 HG3 ARG 25 HG3 ARG 25 12.492 -10.858 6.561 150 HD2 ARG 25 HD2 ARG 25 10.499 -10.305 7.380 151 HD3 ARG 25 HD3 ARG 25 9.694 -11.527 6.397 152 HE ARG 25 HE ARG 25 10.960 -12.759 8.592 153 HH11 ARG 25 HH11 ARG 25 8.250 -10.711 7.828 154 HH12 ARG 25 HH12 ARG 25 7.298 -11.248 9.173 155 HH21 ARG 25 HH21 ARG 25 9.716 -13.474 10.366 156 HH22 ARG 25 HH22 ARG 25 8.134 -12.818 10.616 157 H HIS 26 H HIS 26 11.882 -14.015 2.575 158 HA HIS 26 HA HIS 26 12.528 -12.258 0.299 159 HB2 HIS 26 HB2 HIS 26 12.407 -15.265 0.491 160 HB3 HIS 26 HB3 HIS 26 12.374 -14.421 -1.054 161 HD1 HIS 26 HD1 HIS 26 14.672 -16.214 -0.791 162 HD2 HIS 26 HD2 HIS 26 14.774 -12.353 0.740 163 HE1 HIS 26 HE1 HIS 26 17.111 -15.632 -0.597 164 H PHE 27 H PHE 27 10.958 -11.802 -1.196 165 HA PHE 27 HA PHE 27 8.294 -12.961 -0.765 166 HB2 PHE 27 HB2 PHE 27 9.019 -10.041 -0.890 167 HB3 PHE 27 HB3 PHE 27 7.395 -10.606 -1.270 168 HD1 PHE 27 HD1 PHE 27 9.977 -10.965 1.398 169 HD2 PHE 27 HD2 PHE 27 5.846 -10.648 0.421 170 HE1 PHE 27 HE1 PHE 27 9.416 -10.944 3.793 171 HE2 PHE 27 HE2 PHE 27 5.279 -10.625 2.815 172 HZ PHE 27 HZ PHE 27 7.064 -10.772 4.505 173 H CYS 28 H CYS 28 7.029 -13.191 -2.588 174 HA CYS 28 HA CYS 28 8.472 -13.017 -5.114 175 HB2 CYS 28 HB2 CYS 28 6.045 -14.485 -4.158 176 HB3 CYS 28 HB3 CYS 28 6.252 -14.208 -5.884 177 H GLY 29 H GLY 29 8.179 -11.411 -6.507 178 HA2 GLY 29 HA2 GLY 29 6.714 -9.149 -6.137 179 HA3 GLY 29 HA3 GLY 29 7.125 -9.763 -7.731 180 H CYS 30 H CYS 30 4.771 -8.300 -7.053 181 HA CYS 30 HA CYS 30 2.512 -9.883 -6.624 182 HB2 CYS 30 HB2 CYS 30 3.030 -7.187 -7.174 183 HB3 CYS 30 HB3 CYS 30 1.969 -7.721 -8.474 184 H ASP 31 H ASP 31 4.538 -9.589 -9.381 185 HA ASP 31 HA ASP 31 2.584 -10.557 -11.272 186 HB2 ASP 31 HB2 ASP 31 5.566 -10.110 -11.479 187 HB3 ASP 31 HB3 ASP 31 4.567 -10.679 -12.814 188 H ARG 32 H ARG 32 4.486 -11.959 -8.898 189 HA ARG 32 HA ARG 32 5.056 -14.097 -8.370 190 HB2 ARG 32 HB2 ARG 32 2.946 -14.864 -10.393 191 HB3 ARG 32 HB3 ARG 32 3.548 -15.854 -9.070 192 HG2 ARG 32 HG2 ARG 32 2.074 -14.989 -7.661 193 HG3 ARG 32 HG3 ARG 32 2.549 -13.343 -8.083 194 HD2 ARG 32 HD2 ARG 32 1.143 -13.986 -10.278 195 HD3 ARG 32 HD3 ARG 32 0.321 -15.001 -9.093 196 HE ARG 32 HE ARG 32 0.671 -12.268 -8.259 197 HH11 ARG 32 HH11 ARG 32 -1.364 -14.515 -9.971 198 HH12 ARG 32 HH12 ARG 32 -2.800 -13.568 -9.772 199 HH21 ARG 32 HH21 ARG 32 -1.214 -11.012 -7.990 200 HH22 ARG 32 HH22 ARG 32 -2.714 -11.575 -8.646 201 H THR 33 H THR 33 6.180 -12.714 -10.851 202 HA THR 33 HA THR 33 7.138 -15.100 -12.281 203 HB THR 33 HB THR 33 7.966 -13.422 -13.990 204 HG1 THR 33 HG1 THR 33 7.690 -11.373 -13.563 205 HG21 THR 33 HG21 THR 33 5.995 -14.685 -14.477 206 HG22 THR 33 HG22 THR 33 5.665 -13.007 -14.911 207 HG23 THR 33 HG23 THR 33 5.016 -13.674 -13.414 208 H GLY 34 H GLY 34 8.070 -12.639 -10.099 209 HA2 GLY 34 HA2 GLY 34 10.822 -13.642 -10.168 210 HA3 GLY 34 HA3 GLY 34 10.577 -11.913 -10.368 211 H ILE 35 H ILE 35 12.063 -13.143 -8.276 212 HA ILE 35 HA ILE 35 10.354 -12.626 -5.936 213 HB ILE 35 HB ILE 35 13.037 -13.982 -5.838 214 HG12 ILE 35 HG12 ILE 35 10.326 -15.267 -6.232 215 HG13 ILE 35 HG13 ILE 35 11.656 -15.268 -7.385 216 HG21 ILE 35 HG21 ILE 35 12.192 -14.881 -3.740 217 HG22 ILE 35 HG22 ILE 35 12.111 -13.120 -3.741 218 HG23 ILE 35 HG23 ILE 35 10.648 -14.070 -4.000 219 HD11 ILE 35 HD11 ILE 35 11.725 -17.375 -6.402 220 HD12 ILE 35 HD12 ILE 35 12.985 -16.468 -5.565 221 HD13 ILE 35 HD13 ILE 35 11.425 -16.734 -4.787 222 H VAL 36 H VAL 36 10.792 -10.965 -4.615 223 HA VAL 36 HA VAL 36 13.311 -9.493 -5.044 224 HB VAL 36 HB VAL 36 12.185 -7.418 -4.619 225 HG11 VAL 36 HG11 VAL 36 10.131 -8.307 -6.432 226 HG12 VAL 36 HG12 VAL 36 11.533 -7.281 -6.740 227 HG13 VAL 36 HG13 VAL 36 11.684 -9.036 -6.839 228 HG21 VAL 36 HG21 VAL 36 10.132 -9.162 -3.530 229 HG22 VAL 36 HG22 VAL 36 10.460 -7.461 -3.201 230 HG23 VAL 36 HG23 VAL 36 9.470 -7.916 -4.588 231 H GLU 37 H GLU 37 14.392 -8.718 -3.260 232 HA GLU 37 HA GLU 37 13.309 -9.515 -0.638 233 HB2 GLU 37 HB2 GLU 37 15.130 -11.003 -1.251 234 HB3 GLU 37 HB3 GLU 37 16.175 -9.630 -1.590 235 HG2 GLU 37 HG2 GLU 37 16.129 -8.994 0.756 236 HG3 GLU 37 HG3 GLU 37 15.045 -10.339 1.108 237 H CYS 38 H CYS 38 13.863 -8.198 1.152 238 HA CYS 38 HA CYS 38 13.898 -5.422 0.581 239 HB2 CYS 38 HB2 CYS 38 12.767 -6.187 2.556 240 HB3 CYS 38 HB3 CYS 38 14.231 -6.954 3.163 241 H LYS 39 H LYS 39 15.688 -4.644 -0.397 242 HA LYS 39 HA LYS 39 18.235 -4.954 1.050 243 HB2 LYS 39 HB2 LYS 39 17.598 -5.513 -1.747 244 HB3 LYS 39 HB3 LYS 39 18.964 -4.420 -1.562 245 HG2 LYS 39 HG2 LYS 39 20.022 -6.067 -0.050 246 HG3 LYS 39 HG3 LYS 39 18.686 -7.173 -0.376 247 HD2 LYS 39 HD2 LYS 39 20.561 -6.036 -2.450 248 HD3 LYS 39 HD3 LYS 39 20.661 -7.659 -1.763 249 HE2 LYS 39 HE2 LYS 39 18.390 -8.118 -2.628 250 HE3 LYS 39 HE3 LYS 39 18.383 -6.526 -3.384 251 HZ1 LYS 39 HZ1 LYS 39 19.062 -7.889 -5.090 252 HZ2 LYS 39 HZ2 LYS 39 19.972 -8.901 -4.086 253 HZ3 LYS 39 HZ3 LYS 39 20.549 -7.361 -4.479 254 H GLY 40 H GLY 40 19.420 -3.130 1.381 255 HA2 GLY 40 HA2 GLY 40 19.854 -0.885 1.581 256 HA3 GLY 40 HA3 GLY 40 19.304 -0.760 -0.083 257 H GLY 41 H GLY 41 17.070 -2.004 2.222 258 HA2 GLY 41 HA2 GLY 41 15.344 -0.968 3.404 259 HA3 GLY 41 HA3 GLY 41 15.911 0.590 2.820 260 H LYS 42 H LYS 42 15.722 -1.474 0.232 261 HA LYS 42 HA LYS 42 12.907 -0.854 -0.318 262 HB2 LYS 42 HB2 LYS 42 13.383 0.015 -2.487 263 HB3 LYS 42 HB3 LYS 42 14.420 0.870 -1.354 264 HG2 LYS 42 HG2 LYS 42 16.155 0.339 -2.618 265 HG3 LYS 42 HG3 LYS 42 15.889 -1.358 -2.212 266 HD2 LYS 42 HD2 LYS 42 15.942 -1.131 -4.606 267 HD3 LYS 42 HD3 LYS 42 14.290 -1.504 -4.108 268 HE2 LYS 42 HE2 LYS 42 14.087 0.206 -5.710 269 HE3 LYS 42 HE3 LYS 42 13.873 1.001 -4.151 270 HZ1 LYS 42 HZ1 LYS 42 16.344 1.499 -4.306 271 HZ2 LYS 42 HZ2 LYS 42 15.320 2.372 -5.332 272 HZ3 LYS 42 HZ3 LYS 42 16.224 1.078 -5.941 273 H TRP 43 H TRP 43 11.855 -2.291 -1.692 274 HA TRP 43 HA TRP 43 12.877 -4.945 -1.707 275 HB2 TRP 43 HB2 TRP 43 10.439 -3.678 -2.955 276 HB3 TRP 43 HB3 TRP 43 10.808 -5.392 -3.128 277 HD1 TRP 43 HD1 TRP 43 8.990 -3.065 -0.936 278 HE1 TRP 43 HE1 TRP 43 8.313 -4.220 1.263 279 HE3 TRP 43 HE3 TRP 43 11.904 -7.251 -1.287 280 HZ2 TRP 43 HZ2 TRP 43 8.933 -6.592 2.663 281 HZ3 TRP 43 HZ3 TRP 43 11.804 -8.913 0.524 282 HH2 TRP 43 HH2 TRP 43 10.349 -8.588 2.458 283 H THR 44 H THR 44 14.326 -5.736 -3.069 284 HA THR 44 HA THR 44 14.325 -4.765 -5.852 285 HB THR 44 HB THR 44 16.745 -5.464 -4.178 286 HG1 THR 44 HG1 THR 44 16.222 -3.398 -3.694 287 HG21 THR 44 HG21 THR 44 17.878 -4.480 -6.318 288 HG22 THR 44 HG22 THR 44 16.378 -4.970 -7.105 289 HG23 THR 44 HG23 THR 44 17.379 -6.170 -6.288 290 H GLU 45 H GLU 45 14.525 -6.276 -7.445 291 HA GLU 45 HA GLU 45 13.815 -8.940 -6.875 292 HB2 GLU 45 HB2 GLU 45 13.485 -7.604 -9.048 293 HB3 GLU 45 HB3 GLU 45 15.138 -8.063 -9.433 294 HG2 GLU 45 HG2 GLU 45 14.567 -10.387 -9.408 295 HG3 GLU 45 HG3 GLU 45 12.946 -10.027 -8.815 296 H ILE 46 H ILE 46 14.988 -10.676 -6.377 297 HA ILE 46 HA ILE 46 17.911 -10.530 -6.736 298 HB ILE 46 HB ILE 46 18.174 -11.902 -4.728 299 HG12 ILE 46 HG12 ILE 46 15.212 -11.508 -4.276 300 HG13 ILE 46 HG13 ILE 46 15.909 -12.991 -4.917 301 HG21 ILE 46 HG21 ILE 46 16.530 -9.812 -3.549 302 HG22 ILE 46 HG22 ILE 46 18.271 -10.068 -3.460 303 HG23 ILE 46 HG23 ILE 46 17.575 -9.218 -4.839 304 HD11 ILE 46 HD11 ILE 46 15.388 -12.657 -2.345 305 HD12 ILE 46 HD12 ILE 46 16.752 -13.620 -2.912 306 HD13 ILE 46 HD13 ILE 46 17.008 -11.961 -2.371 307 H GLN 47 H GLN 47 15.050 -12.204 -7.424 308 HA GLN 47 HA GLN 47 16.558 -14.299 -8.762 309 HB2 GLN 47 HB2 GLN 47 15.867 -15.030 -6.375 310 HB3 GLN 47 HB3 GLN 47 14.240 -15.120 -7.036 311 HG2 GLN 47 HG2 GLN 47 15.566 -16.538 -8.890 312 HG3 GLN 47 HG3 GLN 47 16.567 -16.868 -7.477 313 HE21 GLN 47 HE21 GLN 47 13.381 -17.164 -8.866 314 HE22 GLN 47 HE22 GLN 47 12.811 -18.389 -7.790 315 H ASP 48 H ASP 48 15.381 -15.365 -10.418 316 HA ASP 48 HA ASP 48 12.884 -13.995 -11.178 317 HB2 ASP 48 HB2 ASP 48 14.969 -13.500 -12.578 318 HB3 ASP 48 HB3 ASP 48 14.848 -15.164 -13.144 319 H CYS 49 H CYS 49 11.196 -15.305 -11.081 320 HA CYS 49 HA CYS 49 11.508 -18.164 -11.021 321 HB2 CYS 49 HB2 CYS 49 9.276 -16.236 -10.628 322 HB3 CYS 49 HB3 CYS 49 8.849 -17.877 -11.104 323 H GLY 50 H GLY 50 10.773 -15.773 -13.400 324 HA2 GLY 50 HA2 GLY 50 10.759 -16.081 -15.711 325 HA3 GLY 50 HA3 GLY 50 10.721 -17.819 -15.455 326 H GLY 51 H GLY 51 8.498 -18.249 -14.004 327 HA2 GLY 51 HA2 GLY 51 6.375 -17.261 -15.802 328 HA3 GLY 51 HA3 GLY 51 6.361 -18.830 -15.010 329 H ALA 52 H ALA 52 4.347 -16.708 -14.967 330 HA ALA 52 HA ALA 52 4.432 -15.486 -12.373 331 HB1 ALA 52 HB1 ALA 52 2.105 -15.774 -14.270 332 HB2 ALA 52 HB2 ALA 52 2.202 -14.685 -12.885 333 HB3 ALA 52 HB3 ALA 52 3.266 -14.446 -14.271 334 H SER 53 H SER 53 4.857 -17.593 -11.267 335 HA SER 53 HA SER 53 2.332 -18.669 -10.287 336 HB2 SER 53 HB2 SER 53 4.192 -20.152 -11.979 337 HB3 SER 53 HB3 SER 53 3.890 -20.958 -10.439 338 HG SER 53 HG SER 53 2.344 -20.960 -12.545 339 H CYS 54 H CYS 54 4.942 -17.125 -9.512 340 HA CYS 54 HA CYS 54 6.077 -18.705 -7.412 341 HB2 CYS 54 HB2 CYS 54 7.174 -16.769 -8.716 342 HB3 CYS 54 HB3 CYS 54 6.290 -15.710 -7.621 343 H ARG 55 H ARG 55 5.292 -19.018 -5.442 344 HA ARG 55 HA ARG 55 3.583 -16.967 -4.232 345 HB2 ARG 55 HB2 ARG 55 2.585 -19.366 -5.275 346 HB3 ARG 55 HB3 ARG 55 2.661 -19.621 -3.536 347 HG2 ARG 55 HG2 ARG 55 1.216 -17.405 -4.972 348 HG3 ARG 55 HG3 ARG 55 0.493 -18.778 -4.132 349 HD2 ARG 55 HD2 ARG 55 2.023 -17.746 -2.161 350 HD3 ARG 55 HD3 ARG 55 1.634 -16.281 -3.062 351 HE ARG 55 HE ARG 55 -0.489 -16.414 -2.247 352 HH11 ARG 55 HH11 ARG 55 0.991 -19.555 -2.002 353 HH12 ARG 55 HH12 ARG 55 -0.343 -20.261 -1.150 354 HH21 ARG 55 HH21 ARG 55 -2.251 -17.331 -1.125 355 HH22 ARG 55 HH22 ARG 55 -2.187 -18.995 -0.653 356 H GLY 56 H GLY 56 3.839 -16.717 -2.056 357 HA2 GLY 56 HA2 GLY 56 5.566 -18.662 -0.668 358 HA3 GLY 56 HA3 GLY 56 5.919 -16.942 -0.589 359 H VAL 57 H VAL 57 5.754 -17.379 1.756 360 HA VAL 57 HA VAL 57 2.949 -17.391 2.662 361 HB VAL 57 HB VAL 57 3.775 -18.157 4.846 362 HG11 VAL 57 HG11 VAL 57 3.515 -20.259 4.159 363 HG12 VAL 57 HG12 VAL 57 3.552 -19.642 2.506 364 HG13 VAL 57 HG13 VAL 57 5.035 -20.223 3.265 365 HG21 VAL 57 HG21 VAL 57 6.053 -17.124 4.563 366 HG22 VAL 57 HG22 VAL 57 6.041 -18.755 5.235 367 HG23 VAL 57 HG23 VAL 57 6.467 -18.502 3.543 368 H SER 58 H SER 58 2.612 -16.172 4.748 369 HA SER 58 HA SER 58 3.270 -13.469 4.386 370 HB2 SER 58 HB2 SER 58 1.273 -14.282 5.628 371 HB3 SER 58 HB3 SER 58 2.332 -14.801 6.938 372 HG SER 58 HG SER 58 1.697 -12.198 6.086 373 H GLN 59 H GLN 59 5.033 -16.018 5.797 374 HA GLN 59 HA GLN 59 6.717 -14.214 7.366 375 HB2 GLN 59 HB2 GLN 59 7.050 -17.197 7.123 376 HB3 GLN 59 HB3 GLN 59 7.631 -16.137 8.401 377 HG2 GLN 59 HG2 GLN 59 4.859 -17.135 7.897 378 HG3 GLN 59 HG3 GLN 59 5.832 -17.239 9.363 379 HE21 GLN 59 HE21 GLN 59 3.110 -16.075 8.597 380 HE22 GLN 59 HE22 GLN 59 3.129 -14.502 9.312 381 H GLY 60 H GLY 60 6.550 -14.783 4.268 382 HA2 GLY 60 HA2 GLY 60 8.233 -14.131 2.733 383 HA3 GLY 60 HA3 GLY 60 9.452 -14.593 3.912 384 H GLY 61 H GLY 61 10.652 -16.170 3.082 385 HA2 GLY 61 HA2 GLY 61 11.249 -18.096 1.979 386 HA3 GLY 61 HA3 GLY 61 9.767 -18.752 2.660 387 H ALA 62 H ALA 62 9.961 -16.108 0.341 388 HA ALA 62 HA ALA 62 7.960 -17.010 -1.327 389 HB1 ALA 62 HB1 ALA 62 8.359 -15.093 -2.375 390 HB2 ALA 62 HB2 ALA 62 9.729 -14.855 -1.290 391 HB3 ALA 62 HB3 ALA 62 9.970 -15.625 -2.858 392 H ARG 63 H ARG 63 7.777 -18.599 -2.767 393 HA ARG 63 HA ARG 63 10.204 -19.701 -3.996 394 HB2 ARG 63 HB2 ARG 63 9.378 -21.985 -3.664 395 HB3 ARG 63 HB3 ARG 63 9.633 -21.169 -2.127 396 HG2 ARG 63 HG2 ARG 63 6.917 -20.963 -3.240 397 HG3 ARG 63 HG3 ARG 63 7.426 -22.577 -2.740 398 HD2 ARG 63 HD2 ARG 63 8.281 -21.046 -0.651 399 HD3 ARG 63 HD3 ARG 63 6.806 -20.207 -1.131 400 HE ARG 63 HE ARG 63 6.974 -22.688 0.227 401 HH11 ARG 63 HH11 ARG 63 5.131 -20.994 -2.192 402 HH12 ARG 63 HH12 ARG 63 3.674 -21.882 -1.891 403 HH21 ARG 63 HH21 ARG 63 5.062 -23.864 0.633 404 HH22 ARG 63 HH22 ARG 63 3.636 -23.513 -0.283 405 H CYS 64 H CYS 64 9.884 -20.715 -6.023 406 HA CYS 64 HA CYS 64 7.895 -19.499 -7.632 407 HB2 CYS 64 HB2 CYS 64 9.805 -21.774 -8.193 408 HB3 CYS 64 HB3 CYS 64 8.768 -21.042 -9.413 Start of MODEL 6 1 H1 ASP 1 H ASP 1 2.077 0.218 0.926 2 HA ASP 1 HA ASP 1 1.462 0.424 -1.929 3 HB2 ASP 1 HB2 ASP 1 4.230 0.688 -0.814 4 HB3 ASP 1 HB3 ASP 1 3.516 1.470 -2.221 5 H THR 2 H THR 2 1.715 -2.038 0.011 6 HA THR 2 HA THR 2 3.826 -3.649 -0.803 7 HB THR 2 HB THR 2 1.867 -5.499 -0.443 8 HG1 THR 2 HG1 THR 2 0.373 -3.647 -0.159 9 HG21 THR 2 HG21 THR 2 2.726 -4.332 2.095 10 HG22 THR 2 HG22 THR 2 4.047 -4.571 0.950 11 HG23 THR 2 HG23 THR 2 3.033 -5.934 1.424 12 H CYS 3 H CYS 3 0.935 -2.758 -2.485 13 HA CYS 3 HA CYS 3 1.879 -3.790 -4.948 14 HB2 CYS 3 HB2 CYS 3 1.051 -5.886 -3.758 15 HB3 CYS 3 HB3 CYS 3 -0.569 -5.212 -3.903 16 H GLY 4 H GLY 4 0.703 -1.389 -3.652 17 HA2 GLY 4 HA2 GLY 4 -0.699 0.337 -4.219 18 HA3 GLY 4 HA3 GLY 4 -0.743 -0.383 -5.822 19 H GLY 5 H GLY 5 -1.802 -2.387 -3.251 20 HA2 GLY 5 HA2 GLY 5 -4.096 -2.344 -2.360 21 HA3 GLY 5 HA3 GLY 5 -4.611 -1.783 -3.943 22 H GLY 6 H GLY 6 -4.750 -4.358 -2.019 23 HA2 GLY 6 HA2 GLY 6 -5.557 -6.478 -2.540 24 HA3 GLY 6 HA3 GLY 6 -5.241 -6.152 -4.238 25 H TYR 7 H TYR 7 -2.727 -5.620 -1.919 26 HA TYR 7 HA TYR 7 -0.940 -7.362 -3.240 27 HB2 TYR 7 HB2 TYR 7 0.661 -6.713 -1.636 28 HB3 TYR 7 HB3 TYR 7 -0.390 -5.312 -1.805 29 HD1 TYR 7 HD1 TYR 7 1.105 -7.572 0.477 30 HD2 TYR 7 HD2 TYR 7 -2.321 -5.111 -0.077 31 HE1 TYR 7 HE1 TYR 7 0.711 -7.584 2.905 32 HE2 TYR 7 HE2 TYR 7 -2.724 -5.115 2.350 33 HH TYR 7 HH TYR 7 -1.056 -5.487 4.492 34 H GLY 8 H GLY 8 -0.014 -9.322 -2.559 35 HA2 GLY 8 HA2 GLY 8 -1.868 -11.051 -1.164 36 HA3 GLY 8 HA3 GLY 8 -0.375 -11.538 -1.952 37 H VAL 9 H VAL 9 -0.449 -12.864 0.143 38 HA VAL 9 HA VAL 9 0.290 -11.484 2.556 39 HB VAL 9 HB VAL 9 0.680 -13.778 3.460 40 HG11 VAL 9 HG11 VAL 9 -1.903 -12.949 2.214 41 HG12 VAL 9 HG12 VAL 9 -1.789 -14.512 3.026 42 HG13 VAL 9 HG13 VAL 9 -1.450 -13.027 3.916 43 HG21 VAL 9 HG21 VAL 9 0.590 -14.422 0.645 44 HG22 VAL 9 HG22 VAL 9 1.137 -15.402 2.006 45 HG23 VAL 9 HG23 VAL 9 -0.570 -15.384 1.561 46 H ASP 10 H ASP 10 1.947 -13.222 -0.005 47 HA ASP 10 HA ASP 10 4.517 -12.545 1.272 48 HB2 ASP 10 HB2 ASP 10 4.050 -14.997 1.079 49 HB3 ASP 10 HB3 ASP 10 4.009 -14.804 -0.672 50 H GLN 11 H GLN 11 2.733 -11.054 -0.661 51 HA GLN 11 HA GLN 11 4.648 -10.774 -2.879 52 HB2 GLN 11 HB2 GLN 11 1.797 -9.791 -2.844 53 HB3 GLN 11 HB3 GLN 11 2.868 -9.930 -4.232 54 HG2 GLN 11 HG2 GLN 11 2.872 -12.469 -3.571 55 HG3 GLN 11 HG3 GLN 11 1.355 -12.038 -2.782 56 HE21 GLN 11 HE21 GLN 11 2.234 -13.591 -5.294 57 HE22 GLN 11 HE22 GLN 11 1.147 -13.018 -6.508 58 H ARG 12 H ARG 12 5.599 -8.844 -3.283 59 HA ARG 12 HA ARG 12 4.747 -6.521 -1.698 60 HB2 ARG 12 HB2 ARG 12 7.543 -7.624 -1.953 61 HB3 ARG 12 HB3 ARG 12 7.217 -5.976 -1.436 62 HG2 ARG 12 HG2 ARG 12 6.177 -8.440 -0.054 63 HG3 ARG 12 HG3 ARG 12 7.611 -7.535 0.434 64 HD2 ARG 12 HD2 ARG 12 6.121 -5.507 0.615 65 HD3 ARG 12 HD3 ARG 12 4.751 -6.598 0.410 66 HE ARG 12 HE ARG 12 6.407 -6.300 2.756 67 HH11 ARG 12 HH11 ARG 12 4.147 -8.318 1.040 68 HH12 ARG 12 HH12 ARG 12 3.648 -9.186 2.454 69 HH21 ARG 12 HH21 ARG 12 5.758 -7.436 4.625 70 HH22 ARG 12 HH22 ARG 12 4.564 -8.683 4.493 71 H ARG 13 H ARG 13 5.611 -4.460 -2.538 72 HA ARG 13 HA ARG 13 5.558 -4.490 -5.454 73 HB2 ARG 13 HB2 ARG 13 4.086 -2.966 -4.058 74 HB3 ARG 13 HB3 ARG 13 5.545 -2.076 -3.645 75 HG2 ARG 13 HG2 ARG 13 4.978 -0.825 -5.415 76 HG3 ARG 13 HG3 ARG 13 5.747 -2.120 -6.334 77 HD2 ARG 13 HD2 ARG 13 3.303 -3.161 -6.128 78 HD3 ARG 13 HD3 ARG 13 2.876 -1.454 -6.013 79 HE ARG 13 HE ARG 13 3.766 -2.856 -8.345 80 HH11 ARG 13 HH11 ARG 13 3.660 0.248 -6.773 81 HH12 ARG 13 HH12 ARG 13 3.780 1.146 -8.249 82 HH21 ARG 13 HH21 ARG 13 3.924 -1.685 -10.296 83 HH22 ARG 13 HH22 ARG 13 3.930 0.046 -10.253 84 H THR 14 H THR 14 7.239 -3.961 -6.727 85 HA THR 14 HA THR 14 9.859 -3.893 -5.618 86 HB THR 14 HB THR 14 9.135 -3.166 -8.455 87 HG1 THR 14 HG1 THR 14 8.653 -5.198 -8.800 88 HG21 THR 14 HG21 THR 14 11.351 -3.000 -8.652 89 HG22 THR 14 HG22 THR 14 11.448 -4.732 -8.338 90 HG23 THR 14 HG23 THR 14 11.595 -3.585 -7.007 91 H ASN 15 H ASN 15 11.366 -2.220 -5.591 92 HA ASN 15 HA ASN 15 12.151 -0.086 -5.445 93 HB2 ASN 15 HB2 ASN 15 9.737 0.908 -6.940 94 HB3 ASN 15 HB3 ASN 15 11.371 1.565 -6.927 95 HD21 ASN 15 HD21 ASN 15 12.850 -0.708 -7.380 96 HD22 ASN 15 HD22 ASN 15 12.514 -1.302 -8.967 97 H SER 16 H SER 16 9.974 -1.292 -3.686 98 HA SER 16 HA SER 16 8.951 1.207 -2.516 99 HB2 SER 16 HB2 SER 16 6.989 0.159 -2.242 100 HB3 SER 16 HB3 SER 16 7.651 -1.223 -3.116 101 HG SER 16 HG SER 16 6.883 -1.205 -0.646 102 HA PRO 17 HA PRO 17 11.484 0.730 1.038 103 HB2 PRO 17 HB2 PRO 17 9.891 1.819 2.947 104 HB3 PRO 17 HB3 PRO 17 10.706 2.784 1.711 105 HG2 PRO 17 HG2 PRO 17 7.871 1.827 1.802 106 HG3 PRO 17 HG3 PRO 17 8.501 3.416 1.329 107 HD2 PRO 17 HD2 PRO 17 7.765 1.542 -0.482 108 HD3 PRO 17 HD3 PRO 17 9.079 2.697 -0.783 109 H CYS 18 H CYS 18 11.921 -0.842 2.472 110 HA CYS 18 HA CYS 18 9.685 -2.523 3.403 111 HB2 CYS 18 HB2 CYS 18 11.403 -4.386 3.474 112 HB3 CYS 18 HB3 CYS 18 10.929 -3.845 1.867 113 H GLN 19 H GLN 19 10.311 -3.818 5.405 114 HA GLN 19 HA GLN 19 11.248 -1.946 7.392 115 HB2 GLN 19 HB2 GLN 19 9.789 -4.513 7.380 116 HB3 GLN 19 HB3 GLN 19 10.813 -4.234 8.782 117 HG2 GLN 19 HG2 GLN 19 9.295 -2.901 9.670 118 HG3 GLN 19 HG3 GLN 19 9.325 -1.866 8.243 119 HE21 GLN 19 HE21 GLN 19 8.082 -2.811 6.339 120 HE22 GLN 19 HE22 GLN 19 6.533 -3.484 6.703 121 H ALA 20 H ALA 20 12.751 -2.739 9.136 122 HA ALA 20 HA ALA 20 15.250 -3.399 8.004 123 HB1 ALA 20 HB1 ALA 20 15.722 -2.299 9.895 124 HB2 ALA 20 HB2 ALA 20 14.209 -2.779 10.665 125 HB3 ALA 20 HB3 ALA 20 15.590 -3.877 10.672 126 H SER 21 H SER 21 12.919 -5.294 9.884 127 HA SER 21 HA SER 21 14.505 -7.638 10.030 128 HB2 SER 21 HB2 SER 21 12.142 -6.809 11.172 129 HB3 SER 21 HB3 SER 21 11.603 -8.069 10.062 130 HG SER 21 HG SER 21 12.414 -8.581 12.355 131 H ASN 22 H ASN 22 12.422 -6.312 7.600 132 HA ASN 22 HA ASN 22 11.819 -8.646 6.158 133 HB2 ASN 22 HB2 ASN 22 12.131 -5.795 5.194 134 HB3 ASN 22 HB3 ASN 22 11.430 -7.101 4.243 135 HD21 ASN 22 HD21 ASN 22 9.648 -5.473 4.238 136 HD22 ASN 22 HD22 ASN 22 8.484 -5.571 5.511 137 H GLY 23 H GLY 23 14.745 -6.902 6.520 138 HA2 GLY 23 HA2 GLY 23 16.012 -7.465 4.072 139 HA3 GLY 23 HA3 GLY 23 16.831 -7.152 5.595 140 H ASP 24 H ASP 24 15.118 -9.557 6.603 141 HA ASP 24 HA ASP 24 16.994 -11.609 5.629 142 HB2 ASP 24 HB2 ASP 24 15.724 -11.193 8.328 143 HB3 ASP 24 HB3 ASP 24 16.405 -12.748 7.858 144 H ARG 25 H ARG 25 14.444 -10.871 4.412 145 HA ARG 25 HA ARG 25 13.238 -13.527 4.423 146 HB2 ARG 25 HB2 ARG 25 11.425 -11.137 4.529 147 HB3 ARG 25 HB3 ARG 25 11.050 -12.825 4.852 148 HG2 ARG 25 HG2 ARG 25 12.422 -12.689 6.909 149 HG3 ARG 25 HG3 ARG 25 12.646 -10.966 6.599 150 HD2 ARG 25 HD2 ARG 25 10.647 -10.474 7.446 151 HD3 ARG 25 HD3 ARG 25 9.857 -11.704 6.461 152 HE ARG 25 HE ARG 25 11.223 -12.892 8.640 153 HH11 ARG 25 HH11 ARG 25 8.369 -11.061 7.850 154 HH12 ARG 25 HH12 ARG 25 7.445 -11.682 9.178 155 HH21 ARG 25 HH21 ARG 25 10.018 -13.716 10.392 156 HH22 ARG 25 HH22 ARG 25 8.384 -13.191 10.624 157 H HIS 26 H HIS 26 11.979 -13.982 2.536 158 HA HIS 26 HA HIS 26 12.586 -12.176 0.287 159 HB2 HIS 26 HB2 HIS 26 12.400 -15.187 0.387 160 HB3 HIS 26 HB3 HIS 26 12.407 -14.280 -1.123 161 HD1 HIS 26 HD1 HIS 26 14.647 -16.223 -0.732 162 HD2 HIS 26 HD2 HIS 26 14.853 -12.291 0.591 163 HE1 HIS 26 HE1 HIS 26 17.101 -15.707 -0.540 164 H PHE 27 H PHE 27 11.006 -11.835 -1.290 165 HA PHE 27 HA PHE 27 8.330 -12.900 -0.749 166 HB2 PHE 27 HB2 PHE 27 9.105 -9.997 -0.907 167 HB3 PHE 27 HB3 PHE 27 7.469 -10.526 -1.287 168 HD1 PHE 27 HD1 PHE 27 5.909 -10.649 0.402 169 HD2 PHE 27 HD2 PHE 27 10.047 -10.809 1.387 170 HE1 PHE 27 HE1 PHE 27 5.338 -10.602 2.795 171 HE2 PHE 27 HE2 PHE 27 9.482 -10.764 3.781 172 HZ PHE 27 HZ PHE 27 7.125 -10.661 4.488 173 H CYS 28 H CYS 28 7.018 -13.130 -2.541 174 HA CYS 28 HA CYS 28 8.409 -12.994 -5.102 175 HB2 CYS 28 HB2 CYS 28 5.979 -14.438 -4.098 176 HB3 CYS 28 HB3 CYS 28 6.215 -14.219 -5.829 177 H GLY 29 H GLY 29 8.091 -11.383 -6.482 178 HA2 GLY 29 HA2 GLY 29 6.608 -9.135 -6.100 179 HA3 GLY 29 HA3 GLY 29 7.005 -9.750 -7.698 180 H CYS 30 H CYS 30 4.648 -8.307 -7.009 181 HA CYS 30 HA CYS 30 2.406 -9.900 -6.537 182 HB2 CYS 30 HB2 CYS 30 2.919 -7.202 -7.227 183 HB3 CYS 30 HB3 CYS 30 1.745 -7.810 -8.389 184 H ASP 31 H ASP 31 4.379 -9.586 -9.343 185 HA ASP 31 HA ASP 31 2.413 -10.634 -11.177 186 HB2 ASP 31 HB2 ASP 31 5.272 -9.791 -11.360 187 HB3 ASP 31 HB3 ASP 31 4.634 -10.863 -12.603 188 H ARG 32 H ARG 32 4.399 -11.955 -8.828 189 HA ARG 32 HA ARG 32 5.043 -14.070 -8.291 190 HB2 ARG 32 HB2 ARG 32 2.942 -14.960 -10.268 191 HB3 ARG 32 HB3 ARG 32 3.562 -15.862 -8.891 192 HG2 ARG 32 HG2 ARG 32 1.981 -15.017 -7.598 193 HG3 ARG 32 HG3 ARG 32 2.528 -13.379 -7.960 194 HD2 ARG 32 HD2 ARG 32 0.309 -13.371 -8.657 195 HD3 ARG 32 HD3 ARG 32 1.205 -13.652 -10.150 196 HE ARG 32 HE ARG 32 0.501 -16.117 -8.972 197 HH11 ARG 32 HH11 ARG 32 -0.896 -13.417 -10.668 198 HH12 ARG 32 HH12 ARG 32 -2.188 -14.347 -11.350 199 HH21 ARG 32 HH21 ARG 32 -1.196 -17.352 -9.864 200 HH22 ARG 32 HH22 ARG 32 -2.359 -16.585 -10.892 201 H THR 33 H THR 33 6.087 -12.684 -10.799 202 HA THR 33 HA THR 33 7.088 -15.062 -12.215 203 HB THR 33 HB THR 33 7.789 -13.423 -13.995 204 HG1 THR 33 HG1 THR 33 7.776 -11.468 -12.998 205 HG21 THR 33 HG21 THR 33 4.911 -13.835 -13.247 206 HG22 THR 33 HG22 THR 33 5.855 -14.632 -14.506 207 HG23 THR 33 HG23 THR 33 5.356 -12.953 -14.707 208 H GLY 34 H GLY 34 7.965 -12.671 -9.996 209 HA2 GLY 34 HA2 GLY 34 10.758 -13.507 -10.174 210 HA3 GLY 34 HA3 GLY 34 10.434 -11.789 -10.357 211 H ILE 35 H ILE 35 11.998 -13.072 -8.300 212 HA ILE 35 HA ILE 35 10.340 -12.556 -5.923 213 HB ILE 35 HB ILE 35 13.005 -13.958 -5.932 214 HG12 ILE 35 HG12 ILE 35 10.243 -15.178 -6.129 215 HG13 ILE 35 HG13 ILE 35 11.484 -15.215 -7.377 216 HG21 ILE 35 HG21 ILE 35 10.735 -14.027 -3.950 217 HG22 ILE 35 HG22 ILE 35 12.323 -14.770 -3.769 218 HG23 ILE 35 HG23 ILE 35 12.170 -13.013 -3.801 219 HD11 ILE 35 HD11 ILE 35 11.204 -16.825 -4.930 220 HD12 ILE 35 HD12 ILE 35 11.870 -17.250 -6.507 221 HD13 ILE 35 HD13 ILE 35 12.843 -16.333 -5.357 222 H VAL 36 H VAL 36 10.819 -10.911 -4.596 223 HA VAL 36 HA VAL 36 13.338 -9.452 -5.068 224 HB VAL 36 HB VAL 36 12.245 -7.374 -4.628 225 HG11 VAL 36 HG11 VAL 36 11.555 -9.040 -6.792 226 HG12 VAL 36 HG12 VAL 36 10.091 -8.171 -6.329 227 HG13 VAL 36 HG13 VAL 36 11.557 -7.278 -6.735 228 HG21 VAL 36 HG21 VAL 36 10.188 -9.099 -3.475 229 HG22 VAL 36 HG22 VAL 36 10.616 -7.432 -3.091 230 HG23 VAL 36 HG23 VAL 36 9.543 -7.777 -4.448 231 H GLU 37 H GLU 37 14.456 -8.685 -3.300 232 HA GLU 37 HA GLU 37 13.441 -9.529 -0.665 233 HB2 GLU 37 HB2 GLU 37 15.269 -10.978 -1.320 234 HB3 GLU 37 HB3 GLU 37 16.279 -9.590 -1.699 235 HG2 GLU 37 HG2 GLU 37 16.283 -8.943 0.653 236 HG3 GLU 37 HG3 GLU 37 15.266 -10.331 1.036 237 H CYS 38 H CYS 38 13.959 -8.216 1.122 238 HA CYS 38 HA CYS 38 13.969 -5.434 0.581 239 HB2 CYS 38 HB2 CYS 38 12.840 -6.239 2.544 240 HB3 CYS 38 HB3 CYS 38 14.315 -6.986 3.150 241 H LYS 39 H LYS 39 15.755 -4.631 -0.385 242 HA LYS 39 HA LYS 39 18.296 -4.918 1.076 243 HB2 LYS 39 HB2 LYS 39 17.688 -5.508 -1.718 244 HB3 LYS 39 HB3 LYS 39 19.030 -4.385 -1.541 245 HG2 LYS 39 HG2 LYS 39 20.107 -6.000 0.004 246 HG3 LYS 39 HG3 LYS 39 18.804 -7.138 -0.343 247 HD2 LYS 39 HD2 LYS 39 20.647 -5.944 -2.413 248 HD3 LYS 39 HD3 LYS 39 20.844 -7.543 -1.692 249 HE2 LYS 39 HE2 LYS 39 18.556 -8.108 -2.531 250 HE3 LYS 39 HE3 LYS 39 18.552 -6.570 -3.391 251 HZ1 LYS 39 HZ1 LYS 39 20.176 -8.970 -3.895 252 HZ2 LYS 39 HZ2 LYS 39 20.765 -7.455 -4.361 253 HZ3 LYS 39 HZ3 LYS 39 19.300 -8.022 -4.988 254 H GLY 40 H GLY 40 19.484 -3.082 1.378 255 HA2 GLY 40 HA2 GLY 40 19.899 -0.833 1.565 256 HA3 GLY 40 HA3 GLY 40 19.326 -0.719 -0.093 257 H GLY 41 H GLY 41 17.126 -1.982 2.230 258 HA2 GLY 41 HA2 GLY 41 15.405 -0.960 3.433 259 HA3 GLY 41 HA3 GLY 41 15.952 0.602 2.844 260 H LYS 42 H LYS 42 15.760 -1.451 0.252 261 HA LYS 42 HA LYS 42 12.931 -0.867 -0.265 262 HB2 LYS 42 HB2 LYS 42 13.386 -0.006 -2.456 263 HB3 LYS 42 HB3 LYS 42 14.369 0.894 -1.309 264 HG2 LYS 42 HG2 LYS 42 16.146 0.433 -2.540 265 HG3 LYS 42 HG3 LYS 42 15.940 -1.275 -2.143 266 HD2 LYS 42 HD2 LYS 42 16.024 -1.039 -4.535 267 HD3 LYS 42 HD3 LYS 42 14.380 -1.477 -4.066 268 HE2 LYS 42 HE2 LYS 42 14.139 0.230 -5.668 269 HE3 LYS 42 HE3 LYS 42 13.865 1.009 -4.111 270 HZ1 LYS 42 HZ1 LYS 42 15.401 2.464 -4.736 271 HZ2 LYS 42 HZ2 LYS 42 15.881 1.528 -6.061 272 HZ3 LYS 42 HZ3 LYS 42 16.556 1.244 -4.536 273 H TRP 43 H TRP 43 11.887 -2.307 -1.646 274 HA TRP 43 HA TRP 43 12.934 -4.949 -1.679 275 HB2 TRP 43 HB2 TRP 43 10.487 -3.691 -2.915 276 HB3 TRP 43 HB3 TRP 43 10.873 -5.397 -3.122 277 HD1 TRP 43 HD1 TRP 43 9.011 -3.145 -0.897 278 HE1 TRP 43 HE1 TRP 43 8.352 -4.346 1.282 279 HE3 TRP 43 HE3 TRP 43 12.014 -7.263 -1.299 280 HZ2 TRP 43 HZ2 TRP 43 9.018 -6.723 2.650 281 HZ3 TRP 43 HZ3 TRP 43 11.944 -8.953 0.488 282 HH2 TRP 43 HH2 TRP 43 10.477 -8.687 2.421 283 H THR 44 H THR 44 14.393 -5.722 -3.040 284 HA THR 44 HA THR 44 14.412 -4.713 -5.810 285 HB THR 44 HB THR 44 16.806 -5.484 -4.130 286 HG1 THR 44 HG1 THR 44 17.089 -3.383 -3.899 287 HG21 THR 44 HG21 THR 44 18.132 -4.790 -6.096 288 HG22 THR 44 HG22 THR 44 16.638 -4.609 -7.017 289 HG23 THR 44 HG23 THR 44 17.125 -6.199 -6.430 290 H GLU 45 H GLU 45 14.531 -6.196 -7.422 291 HA GLU 45 HA GLU 45 13.812 -8.865 -6.893 292 HB2 GLU 45 HB2 GLU 45 13.542 -7.401 -9.049 293 HB3 GLU 45 HB3 GLU 45 15.112 -8.070 -9.471 294 HG2 GLU 45 HG2 GLU 45 14.249 -10.301 -9.411 295 HG3 GLU 45 HG3 GLU 45 12.704 -9.734 -8.780 296 H ILE 46 H ILE 46 14.980 -10.618 -6.448 297 HA ILE 46 HA ILE 46 17.895 -10.493 -6.871 298 HB ILE 46 HB ILE 46 18.191 -11.901 -4.894 299 HG12 ILE 46 HG12 ILE 46 15.235 -11.505 -4.396 300 HG13 ILE 46 HG13 ILE 46 15.932 -12.987 -5.040 301 HG21 ILE 46 HG21 ILE 46 17.636 -9.217 -4.942 302 HG22 ILE 46 HG22 ILE 46 16.576 -9.809 -3.664 303 HG23 ILE 46 HG23 ILE 46 18.312 -10.101 -3.575 304 HD11 ILE 46 HD11 ILE 46 17.069 -11.965 -2.513 305 HD12 ILE 46 HD12 ILE 46 15.435 -12.628 -2.457 306 HD13 ILE 46 HD13 ILE 46 16.770 -13.621 -3.041 307 H GLN 47 H GLN 47 15.001 -12.137 -7.508 308 HA GLN 47 HA GLN 47 16.460 -14.219 -8.922 309 HB2 GLN 47 HB2 GLN 47 15.830 -14.999 -6.544 310 HB3 GLN 47 HB3 GLN 47 14.177 -15.032 -7.143 311 HG2 GLN 47 HG2 GLN 47 15.496 -16.422 -9.077 312 HG3 GLN 47 HG3 GLN 47 16.393 -16.871 -7.628 313 HE21 GLN 47 HE21 GLN 47 13.322 -16.974 -9.251 314 HE22 GLN 47 HE22 GLN 47 12.599 -18.174 -8.240 315 H ASP 48 H ASP 48 15.243 -15.237 -10.576 316 HA ASP 48 HA ASP 48 12.732 -13.846 -11.247 317 HB2 ASP 48 HB2 ASP 48 14.857 -13.364 -12.662 318 HB3 ASP 48 HB3 ASP 48 14.578 -14.968 -13.336 319 H CYS 49 H CYS 49 11.073 -15.189 -11.068 320 HA CYS 49 HA CYS 49 11.388 -18.035 -11.120 321 HB2 CYS 49 HB2 CYS 49 9.243 -16.116 -10.521 322 HB3 CYS 49 HB3 CYS 49 8.684 -17.616 -11.253 323 H GLY 50 H GLY 50 10.585 -15.596 -13.436 324 HA2 GLY 50 HA2 GLY 50 10.558 -15.857 -15.755 325 HA3 GLY 50 HA3 GLY 50 10.533 -17.600 -15.535 326 H GLY 51 H GLY 51 8.321 -18.021 -14.019 327 HA2 GLY 51 HA2 GLY 51 6.166 -16.981 -15.754 328 HA3 GLY 51 HA3 GLY 51 6.183 -18.606 -15.084 329 H ALA 52 H ALA 52 4.144 -16.525 -14.845 330 HA ALA 52 HA ALA 52 4.252 -15.457 -12.196 331 HB1 ALA 52 HB1 ALA 52 1.998 -14.708 -12.590 332 HB2 ALA 52 HB2 ALA 52 2.963 -14.419 -14.038 333 HB3 ALA 52 HB3 ALA 52 1.845 -15.781 -13.982 334 H SER 53 H SER 53 4.805 -17.551 -11.162 335 HA SER 53 HA SER 53 2.364 -18.839 -10.214 336 HB2 SER 53 HB2 SER 53 4.387 -20.128 -11.894 337 HB3 SER 53 HB3 SER 53 4.076 -20.996 -10.392 338 HG SER 53 HG SER 53 2.375 -20.484 -12.546 339 H CYS 54 H CYS 54 4.922 -17.148 -9.426 340 HA CYS 54 HA CYS 54 6.076 -18.684 -7.300 341 HB2 CYS 54 HB2 CYS 54 7.125 -16.720 -8.625 342 HB3 CYS 54 HB3 CYS 54 6.232 -15.689 -7.512 343 H ARG 55 H ARG 55 5.284 -18.985 -5.331 344 HA ARG 55 HA ARG 55 3.517 -16.960 -4.164 345 HB2 ARG 55 HB2 ARG 55 2.576 -19.386 -5.193 346 HB3 ARG 55 HB3 ARG 55 2.640 -19.626 -3.452 347 HG2 ARG 55 HG2 ARG 55 1.167 -17.449 -4.920 348 HG3 ARG 55 HG3 ARG 55 0.462 -18.830 -4.077 349 HD2 ARG 55 HD2 ARG 55 1.955 -17.752 -2.100 350 HD3 ARG 55 HD3 ARG 55 1.538 -16.303 -3.014 351 HE ARG 55 HE ARG 55 -0.628 -16.516 -2.299 352 HH11 ARG 55 HH11 ARG 55 1.076 -19.492 -1.701 353 HH12 ARG 55 HH12 ARG 55 -0.211 -20.195 -0.778 354 HH21 ARG 55 HH21 ARG 55 -2.329 -17.430 -1.085 355 HH22 ARG 55 HH22 ARG 55 -2.147 -19.022 -0.429 356 H GLY 56 H GLY 56 3.751 -16.678 -1.991 357 HA2 GLY 56 HA2 GLY 56 5.491 -18.580 -0.560 358 HA3 GLY 56 HA3 GLY 56 5.822 -16.855 -0.502 359 H VAL 57 H VAL 57 5.639 -17.265 1.849 360 HA VAL 57 HA VAL 57 2.826 -17.296 2.727 361 HB VAL 57 HB VAL 57 3.680 -17.989 4.949 362 HG11 VAL 57 HG11 VAL 57 4.544 -20.304 4.082 363 HG12 VAL 57 HG12 VAL 57 2.878 -19.803 3.785 364 HG13 VAL 57 HG13 VAL 57 4.086 -19.654 2.508 365 HG21 VAL 57 HG21 VAL 57 5.991 -17.029 4.516 366 HG22 VAL 57 HG22 VAL 57 5.929 -18.599 5.316 367 HG23 VAL 57 HG23 VAL 57 6.319 -18.500 3.599 368 H SER 58 H SER 58 2.450 -16.051 4.788 369 HA SER 58 HA SER 58 3.094 -13.347 4.400 370 HB2 SER 58 HB2 SER 58 1.086 -14.202 5.631 371 HB3 SER 58 HB3 SER 58 2.146 -14.623 6.976 372 HG SER 58 HG SER 58 0.986 -12.397 6.757 373 H GLN 59 H GLN 59 4.855 -15.864 5.866 374 HA GLN 59 HA GLN 59 6.502 -14.024 7.434 375 HB2 GLN 59 HB2 GLN 59 6.476 -17.041 7.269 376 HB3 GLN 59 HB3 GLN 59 7.594 -16.115 8.261 377 HG2 GLN 59 HG2 GLN 59 6.105 -15.927 9.886 378 HG3 GLN 59 HG3 GLN 59 4.885 -15.306 8.776 379 HE21 GLN 59 HE21 GLN 59 3.481 -16.766 7.750 380 HE22 GLN 59 HE22 GLN 59 3.212 -18.351 8.381 381 H GLY 60 H GLY 60 6.388 -14.650 4.347 382 HA2 GLY 60 HA2 GLY 60 8.091 -14.028 2.825 383 HA3 GLY 60 HA3 GLY 60 9.294 -14.453 4.034 384 H GLY 61 H GLY 61 10.519 -16.035 3.248 385 HA2 GLY 61 HA2 GLY 61 11.147 -17.986 2.210 386 HA3 GLY 61 HA3 GLY 61 9.653 -18.634 2.872 387 H ALA 62 H ALA 62 9.875 -16.037 0.507 388 HA ALA 62 HA ALA 62 7.919 -16.990 -1.187 389 HB1 ALA 62 HB1 ALA 62 8.319 -15.080 -2.244 390 HB2 ALA 62 HB2 ALA 62 9.686 -14.823 -1.158 391 HB3 ALA 62 HB3 ALA 62 9.932 -15.617 -2.714 392 H ARG 63 H ARG 63 7.783 -18.606 -2.600 393 HA ARG 63 HA ARG 63 10.245 -19.706 -3.758 394 HB2 ARG 63 HB2 ARG 63 9.358 -22.002 -3.428 395 HB3 ARG 63 HB3 ARG 63 9.718 -21.177 -1.917 396 HG2 ARG 63 HG2 ARG 63 6.956 -20.876 -2.865 397 HG3 ARG 63 HG3 ARG 63 7.429 -22.518 -2.425 398 HD2 ARG 63 HD2 ARG 63 8.464 -21.100 -0.356 399 HD3 ARG 63 HD3 ARG 63 7.037 -20.141 -0.741 400 HE ARG 63 HE ARG 63 7.100 -22.783 0.407 401 HH11 ARG 63 HH11 ARG 63 5.205 -20.440 -1.337 402 HH12 ARG 63 HH12 ARG 63 3.685 -21.115 -0.852 403 HH21 ARG 63 HH21 ARG 63 5.105 -23.681 1.052 404 HH22 ARG 63 HH22 ARG 63 3.629 -22.958 0.508 405 H CYS 64 H CYS 64 9.989 -20.731 -5.779 406 HA CYS 64 HA CYS 64 7.958 -19.597 -7.417 407 HB2 CYS 64 HB2 CYS 64 10.447 -20.586 -7.894 408 HB3 CYS 64 HB3 CYS 64 9.447 -21.910 -8.485 Start of MODEL 7 1 H1 ASP 1 H ASP 1 0.632 -0.131 -0.030 2 HA ASP 1 HA ASP 1 1.844 0.375 -1.945 3 HB2 ASP 1 HB2 ASP 1 4.445 0.425 -0.475 4 HB3 ASP 1 HB3 ASP 1 3.932 1.360 -1.877 5 H THR 2 H THR 2 1.611 -2.184 -0.192 6 HA THR 2 HA THR 2 3.797 -3.844 -0.885 7 HB THR 2 HB THR 2 1.771 -5.627 -0.552 8 HG1 THR 2 HG1 THR 2 1.053 -3.584 1.247 9 HG21 THR 2 HG21 THR 2 3.278 -6.087 1.032 10 HG22 THR 2 HG22 THR 2 2.437 -4.920 2.053 11 HG23 THR 2 HG23 THR 2 3.825 -4.412 1.091 12 H CYS 3 H CYS 3 0.869 -2.931 -2.535 13 HA CYS 3 HA CYS 3 1.816 -3.924 -5.022 14 HB2 CYS 3 HB2 CYS 3 0.968 -6.022 -3.844 15 HB3 CYS 3 HB3 CYS 3 -0.645 -5.332 -3.993 16 H GLY 4 H GLY 4 0.639 -1.538 -3.669 17 HA2 GLY 4 HA2 GLY 4 -0.752 0.205 -4.211 18 HA3 GLY 4 HA3 GLY 4 -0.784 -0.479 -5.830 19 H GLY 5 H GLY 5 -1.870 -2.536 -3.312 20 HA2 GLY 5 HA2 GLY 5 -4.180 -2.484 -2.443 21 HA3 GLY 5 HA3 GLY 5 -4.670 -1.923 -4.035 22 H GLY 6 H GLY 6 -4.851 -4.495 -2.117 23 HA2 GLY 6 HA2 GLY 6 -5.622 -6.624 -2.635 24 HA3 GLY 6 HA3 GLY 6 -5.321 -6.289 -4.333 25 H TYR 7 H TYR 7 -2.795 -5.753 -2.026 26 HA TYR 7 HA TYR 7 -1.005 -7.475 -3.368 27 HB2 TYR 7 HB2 TYR 7 0.598 -6.846 -1.745 28 HB3 TYR 7 HB3 TYR 7 -0.437 -5.436 -1.947 29 HD1 TYR 7 HD1 TYR 7 0.976 -7.721 0.382 30 HD2 TYR 7 HD2 TYR 7 -2.353 -5.145 -0.240 31 HE1 TYR 7 HE1 TYR 7 0.553 -7.693 2.804 32 HE2 TYR 7 HE2 TYR 7 -2.784 -5.109 2.182 33 HH TYR 7 HH TYR 7 -0.640 -5.968 4.445 34 H GLY 8 H GLY 8 -0.029 -9.418 -2.664 35 HA2 GLY 8 HA2 GLY 8 -1.875 -11.178 -1.290 36 HA3 GLY 8 HA3 GLY 8 -0.374 -11.644 -2.076 37 H VAL 9 H VAL 9 -0.432 -12.979 0.012 38 HA VAL 9 HA VAL 9 0.289 -11.594 2.430 39 HB VAL 9 HB VAL 9 0.693 -13.888 3.332 40 HG11 VAL 9 HG11 VAL 9 -1.923 -13.207 2.021 41 HG12 VAL 9 HG12 VAL 9 -1.732 -14.626 3.052 42 HG13 VAL 9 HG13 VAL 9 -1.453 -13.013 3.710 43 HG21 VAL 9 HG21 VAL 9 0.619 -14.529 0.521 44 HG22 VAL 9 HG22 VAL 9 1.142 -15.518 1.884 45 HG23 VAL 9 HG23 VAL 9 -0.559 -15.486 1.419 46 H ASP 10 H ASP 10 1.959 -13.312 -0.134 47 HA ASP 10 HA ASP 10 4.523 -12.632 1.151 48 HB2 ASP 10 HB2 ASP 10 4.055 -15.087 0.928 49 HB3 ASP 10 HB3 ASP 10 4.041 -14.873 -0.820 50 H GLN 11 H GLN 11 2.737 -11.132 -0.772 51 HA GLN 11 HA GLN 11 4.647 -10.831 -2.990 52 HB2 GLN 11 HB2 GLN 11 1.790 -9.861 -2.922 53 HB3 GLN 11 HB3 GLN 11 2.857 -9.945 -4.317 54 HG2 GLN 11 HG2 GLN 11 2.891 -12.507 -3.707 55 HG3 GLN 11 HG3 GLN 11 1.355 -12.103 -2.942 56 HE21 GLN 11 HE21 GLN 11 2.288 -13.604 -5.460 57 HE22 GLN 11 HE22 GLN 11 1.226 -13.011 -6.687 58 H ARG 12 H ARG 12 5.594 -8.896 -3.387 59 HA ARG 12 HA ARG 12 4.760 -6.588 -1.772 60 HB2 ARG 12 HB2 ARG 12 7.533 -7.736 -2.026 61 HB3 ARG 12 HB3 ARG 12 7.259 -6.062 -1.562 62 HG2 ARG 12 HG2 ARG 12 6.019 -8.363 -0.086 63 HG3 ARG 12 HG3 ARG 12 7.615 -7.723 0.311 64 HD2 ARG 12 HD2 ARG 12 6.732 -5.616 0.902 65 HD3 ARG 12 HD3 ARG 12 5.174 -5.977 0.160 66 HE ARG 12 HE ARG 12 5.342 -7.853 2.075 67 HH11 ARG 12 HH11 ARG 12 5.829 -4.406 2.124 68 HH12 ARG 12 HH12 ARG 12 5.316 -4.226 3.769 69 HH21 ARG 12 HH21 ARG 12 4.664 -7.628 4.241 70 HH22 ARG 12 HH22 ARG 12 4.654 -6.059 4.973 71 H ARG 13 H ARG 13 5.611 -4.521 -2.598 72 HA ARG 13 HA ARG 13 5.537 -4.519 -5.512 73 HB2 ARG 13 HB2 ARG 13 4.110 -2.995 -4.042 74 HB3 ARG 13 HB3 ARG 13 5.589 -2.105 -3.708 75 HG2 ARG 13 HG2 ARG 13 4.864 -0.874 -5.454 76 HG3 ARG 13 HG3 ARG 13 5.709 -2.122 -6.372 77 HD2 ARG 13 HD2 ARG 13 3.303 -3.292 -6.102 78 HD3 ARG 13 HD3 ARG 13 2.817 -1.597 -6.087 79 HE ARG 13 HE ARG 13 3.816 -3.094 -8.326 80 HH11 ARG 13 HH11 ARG 13 3.440 0.080 -6.945 81 HH12 ARG 13 HH12 ARG 13 3.508 0.895 -8.472 82 HH21 ARG 13 HH21 ARG 13 3.907 -2.032 -10.343 83 HH22 ARG 13 HH22 ARG 13 3.772 -0.307 -10.404 84 H THR 14 H THR 14 7.193 -3.931 -6.806 85 HA THR 14 HA THR 14 9.834 -3.932 -5.737 86 HB THR 14 HB THR 14 9.082 -3.110 -8.540 87 HG1 THR 14 HG1 THR 14 9.470 -5.483 -8.889 88 HG21 THR 14 HG21 THR 14 11.547 -3.524 -7.157 89 HG22 THR 14 HG22 THR 14 11.288 -3.050 -8.836 90 HG23 THR 14 HG23 THR 14 11.378 -4.757 -8.405 91 H ASN 15 H ASN 15 11.354 -2.276 -5.672 92 HA ASN 15 HA ASN 15 12.156 -0.159 -5.436 93 HB2 ASN 15 HB2 ASN 15 9.804 0.906 -6.977 94 HB3 ASN 15 HB3 ASN 15 11.452 1.524 -6.915 95 HD21 ASN 15 HD21 ASN 15 12.887 -0.777 -7.367 96 HD22 ASN 15 HD22 ASN 15 12.577 -1.339 -8.971 97 H SER 16 H SER 16 9.966 -1.358 -3.727 98 HA SER 16 HA SER 16 8.890 1.127 -2.575 99 HB2 SER 16 HB2 SER 16 7.924 -1.727 -2.479 100 HB3 SER 16 HB3 SER 16 7.337 -0.510 -1.345 101 HG SER 16 HG SER 16 6.509 0.656 -3.050 102 HA PRO 17 HA PRO 17 11.411 0.716 0.996 103 HB2 PRO 17 HB2 PRO 17 9.799 1.832 2.874 104 HB3 PRO 17 HB3 PRO 17 10.622 2.779 1.629 105 HG2 PRO 17 HG2 PRO 17 7.789 1.816 1.712 106 HG3 PRO 17 HG3 PRO 17 8.419 3.398 1.219 107 HD2 PRO 17 HD2 PRO 17 7.704 1.494 -0.568 108 HD3 PRO 17 HD3 PRO 17 9.017 2.648 -0.877 109 H CYS 18 H CYS 18 11.840 -0.828 2.463 110 HA CYS 18 HA CYS 18 9.599 -2.491 3.414 111 HB2 CYS 18 HB2 CYS 18 11.239 -4.386 3.470 112 HB3 CYS 18 HB3 CYS 18 10.876 -3.796 1.851 113 H GLN 19 H GLN 19 10.222 -3.760 5.431 114 HA GLN 19 HA GLN 19 11.184 -1.868 7.388 115 HB2 GLN 19 HB2 GLN 19 9.689 -4.411 7.415 116 HB3 GLN 19 HB3 GLN 19 10.736 -4.145 8.803 117 HG2 GLN 19 HG2 GLN 19 9.435 -2.524 9.641 118 HG3 GLN 19 HG3 GLN 19 9.073 -1.849 8.053 119 HE21 GLN 19 HE21 GLN 19 8.258 -4.406 10.316 120 HE22 GLN 19 HE22 GLN 19 6.661 -4.683 9.718 121 H ALA 20 H ALA 20 12.685 -2.655 9.139 122 HA ALA 20 HA ALA 20 15.173 -3.356 8.005 123 HB1 ALA 20 HB1 ALA 20 14.163 -2.926 10.772 124 HB2 ALA 20 HB2 ALA 20 15.737 -3.691 10.550 125 HB3 ALA 20 HB3 ALA 20 15.437 -2.083 9.891 126 H SER 21 H SER 21 12.798 -5.198 9.871 127 HA SER 21 HA SER 21 14.375 -7.558 10.060 128 HB2 SER 21 HB2 SER 21 12.038 -6.684 11.221 129 HB3 SER 21 HB3 SER 21 11.467 -7.950 10.134 130 HG SER 21 HG SER 21 13.174 -8.127 12.346 131 H ASN 22 H ASN 22 12.301 -6.231 7.630 132 HA ASN 22 HA ASN 22 11.627 -8.570 6.230 133 HB2 ASN 22 HB2 ASN 22 12.003 -5.736 5.242 134 HB3 ASN 22 HB3 ASN 22 11.303 -7.034 4.280 135 HD21 ASN 22 HD21 ASN 22 9.623 -5.203 4.340 136 HD22 ASN 22 HD22 ASN 22 8.404 -5.356 5.556 137 H GLY 23 H GLY 23 14.606 -6.913 6.552 138 HA2 GLY 23 HA2 GLY 23 15.844 -7.552 4.108 139 HA3 GLY 23 HA3 GLY 23 16.678 -7.240 5.623 140 H ASP 24 H ASP 24 14.896 -9.576 6.675 141 HA ASP 24 HA ASP 24 16.720 -11.694 5.746 142 HB2 ASP 24 HB2 ASP 24 16.486 -10.824 8.283 143 HB3 ASP 24 HB3 ASP 24 15.224 -12.053 8.282 144 H ARG 25 H ARG 25 14.237 -10.916 4.446 145 HA ARG 25 HA ARG 25 12.943 -13.531 4.487 146 HB2 ARG 25 HB2 ARG 25 11.210 -11.079 4.480 147 HB3 ARG 25 HB3 ARG 25 10.766 -12.744 4.829 148 HG2 ARG 25 HG2 ARG 25 12.086 -12.604 6.923 149 HG3 ARG 25 HG3 ARG 25 12.367 -10.896 6.582 150 HD2 ARG 25 HD2 ARG 25 10.365 -10.335 7.375 151 HD3 ARG 25 HD3 ARG 25 9.566 -11.544 6.371 152 HE ARG 25 HE ARG 25 9.470 -12.939 8.185 153 HH11 ARG 25 HH11 ARG 25 11.713 -10.359 8.839 154 HH12 ARG 25 HH12 ARG 25 11.914 -10.781 10.507 155 HH21 ARG 25 HH21 ARG 25 9.725 -13.505 10.380 156 HH22 ARG 25 HH22 ARG 25 10.783 -12.571 11.382 157 H HIS 26 H HIS 26 11.783 -14.023 2.566 158 HA HIS 26 HA HIS 26 12.464 -12.265 0.301 159 HB2 HIS 26 HB2 HIS 26 12.320 -15.272 0.481 160 HB3 HIS 26 HB3 HIS 26 12.320 -14.421 -1.060 161 HD1 HIS 26 HD1 HIS 26 14.600 -16.249 -0.728 162 HD2 HIS 26 HD2 HIS 26 14.706 -12.366 0.747 163 HE1 HIS 26 HE1 HIS 26 17.039 -15.683 -0.498 164 H PHE 27 H PHE 27 10.914 -11.808 -1.218 165 HA PHE 27 HA PHE 27 8.239 -12.950 -0.813 166 HB2 PHE 27 HB2 PHE 27 8.981 -10.034 -0.939 167 HB3 PHE 27 HB3 PHE 27 7.359 -10.591 -1.335 168 HD1 PHE 27 HD1 PHE 27 5.791 -10.629 0.339 169 HD2 PHE 27 HD2 PHE 27 9.910 -10.947 1.363 170 HE1 PHE 27 HE1 PHE 27 5.196 -10.596 2.727 171 HE2 PHE 27 HE2 PHE 27 9.322 -10.915 3.752 172 HZ PHE 27 HZ PHE 27 6.963 -10.740 4.437 173 H CYS 28 H CYS 28 6.981 -13.156 -2.651 174 HA CYS 28 HA CYS 28 8.456 -12.987 -5.163 175 HB2 CYS 28 HB2 CYS 28 6.025 -14.472 -4.238 176 HB3 CYS 28 HB3 CYS 28 6.269 -14.205 -5.961 177 H GLY 29 H GLY 29 8.140 -11.413 -6.589 178 HA2 GLY 29 HA2 GLY 29 6.679 -9.147 -6.233 179 HA3 GLY 29 HA3 GLY 29 7.070 -9.782 -7.824 180 H CYS 30 H CYS 30 4.722 -8.310 -7.118 181 HA CYS 30 HA CYS 30 2.470 -9.887 -6.648 182 HB2 CYS 30 HB2 CYS 30 2.972 -7.201 -7.208 183 HB3 CYS 30 HB3 CYS 30 1.931 -7.735 -8.524 184 H ASP 31 H ASP 31 4.414 -9.529 -9.482 185 HA ASP 31 HA ASP 31 2.439 -10.586 -11.297 186 HB2 ASP 31 HB2 ASP 31 5.365 -10.517 -11.931 187 HB3 ASP 31 HB3 ASP 31 3.987 -10.221 -12.988 188 H ARG 32 H ARG 32 4.454 -11.912 -8.977 189 HA ARG 32 HA ARG 32 5.101 -14.030 -8.454 190 HB2 ARG 32 HB2 ARG 32 3.031 -14.928 -10.460 191 HB3 ARG 32 HB3 ARG 32 3.638 -15.824 -9.074 192 HG2 ARG 32 HG2 ARG 32 2.023 -15.001 -7.812 193 HG3 ARG 32 HG3 ARG 32 2.572 -13.358 -8.148 194 HD2 ARG 32 HD2 ARG 32 1.261 -13.420 -10.262 195 HD3 ARG 32 HD3 ARG 32 0.629 -14.992 -9.774 196 HE ARG 32 HE ARG 32 -0.144 -12.413 -8.751 197 HH11 ARG 32 HH11 ARG 32 -0.049 -15.841 -8.150 198 HH12 ARG 32 HH12 ARG 32 -1.361 -15.812 -7.020 199 HH21 ARG 32 HH21 ARG 32 -1.874 -12.361 -7.264 200 HH22 ARG 32 HH22 ARG 32 -2.399 -13.832 -6.517 201 H THR 33 H THR 33 6.127 -12.604 -10.961 202 HA THR 33 HA THR 33 7.130 -14.942 -12.430 203 HB THR 33 HB THR 33 7.948 -13.189 -14.084 204 HG1 THR 33 HG1 THR 33 7.748 -11.385 -12.650 205 HG21 THR 33 HG21 THR 33 5.966 -14.546 -14.510 206 HG22 THR 33 HG22 THR 33 5.726 -12.900 -15.097 207 HG23 THR 33 HG23 THR 33 4.978 -13.416 -13.585 208 H GLY 34 H GLY 34 8.045 -12.561 -10.165 209 HA2 GLY 34 HA2 GLY 34 10.804 -13.530 -10.273 210 HA3 GLY 34 HA3 GLY 34 10.549 -11.798 -10.433 211 H ILE 35 H ILE 35 12.045 -13.070 -8.373 212 HA ILE 35 HA ILE 35 10.338 -12.613 -6.018 213 HB ILE 35 HB ILE 35 13.024 -13.970 -5.971 214 HG12 ILE 35 HG12 ILE 35 10.301 -15.239 -6.340 215 HG13 ILE 35 HG13 ILE 35 11.612 -15.227 -7.515 216 HG21 ILE 35 HG21 ILE 35 12.105 -13.122 -3.851 217 HG22 ILE 35 HG22 ILE 35 10.667 -14.110 -4.097 218 HG23 ILE 35 HG23 ILE 35 12.237 -14.880 -3.869 219 HD11 ILE 35 HD11 ILE 35 11.295 -16.828 -5.037 220 HD12 ILE 35 HD12 ILE 35 11.860 -17.312 -6.637 221 HD13 ILE 35 HD13 ILE 35 12.923 -16.401 -5.564 222 H VAL 36 H VAL 36 10.762 -10.967 -4.679 223 HA VAL 36 HA VAL 36 13.287 -9.491 -5.060 224 HB VAL 36 HB VAL 36 12.160 -7.420 -4.625 225 HG11 VAL 36 HG11 VAL 36 11.682 -9.006 -6.868 226 HG12 VAL 36 HG12 VAL 36 10.119 -8.294 -6.465 227 HG13 VAL 36 HG13 VAL 36 11.516 -7.255 -6.747 228 HG21 VAL 36 HG21 VAL 36 10.421 -7.465 -3.230 229 HG22 VAL 36 HG22 VAL 36 9.441 -7.922 -4.623 230 HG23 VAL 36 HG23 VAL 36 10.099 -9.167 -3.561 231 H GLU 37 H GLU 37 14.332 -8.714 -3.248 232 HA GLU 37 HA GLU 37 13.215 -9.542 -0.651 233 HB2 GLU 37 HB2 GLU 37 15.008 -11.058 -1.205 234 HB3 GLU 37 HB3 GLU 37 16.075 -9.719 -1.605 235 HG2 GLU 37 HG2 GLU 37 16.052 -9.002 0.731 236 HG3 GLU 37 HG3 GLU 37 14.987 -10.350 1.130 237 H CYS 38 H CYS 38 13.768 -8.250 1.159 238 HA CYS 38 HA CYS 38 13.835 -5.470 0.622 239 HB2 CYS 38 HB2 CYS 38 12.696 -6.263 2.587 240 HB3 CYS 38 HB3 CYS 38 14.163 -7.027 3.191 241 H LYS 39 H LYS 39 15.634 -4.700 -0.348 242 HA LYS 39 HA LYS 39 18.168 -5.019 1.116 243 HB2 LYS 39 HB2 LYS 39 17.558 -5.602 -1.689 244 HB3 LYS 39 HB3 LYS 39 18.953 -4.551 -1.481 245 HG2 LYS 39 HG2 LYS 39 19.908 -6.225 0.085 246 HG3 LYS 39 HG3 LYS 39 18.558 -7.294 -0.307 247 HD2 LYS 39 HD2 LYS 39 20.596 -6.212 -2.253 248 HD3 LYS 39 HD3 LYS 39 20.529 -7.861 -1.626 249 HE2 LYS 39 HE2 LYS 39 18.299 -8.123 -2.649 250 HE3 LYS 39 HE3 LYS 39 18.439 -6.501 -3.326 251 HZ1 LYS 39 HZ1 LYS 39 20.282 -8.755 -3.914 252 HZ2 LYS 39 HZ2 LYS 39 20.339 -7.212 -4.604 253 HZ3 LYS 39 HZ3 LYS 39 19.030 -8.234 -4.926 254 H GLY 40 H GLY 40 19.366 -3.196 1.418 255 HA2 GLY 40 HA2 GLY 40 19.819 -0.951 1.572 256 HA3 GLY 40 HA3 GLY 40 19.271 -0.855 -0.095 257 H GLY 41 H GLY 41 17.029 -2.038 2.237 258 HA2 GLY 41 HA2 GLY 41 15.299 -0.980 3.385 259 HA3 GLY 41 HA3 GLY 41 15.890 0.568 2.800 260 H LYS 42 H LYS 42 15.712 -1.470 0.203 261 HA LYS 42 HA LYS 42 12.902 -0.842 -0.366 262 HB2 LYS 42 HB2 LYS 42 13.409 0.024 -2.539 263 HB3 LYS 42 HB3 LYS 42 14.399 0.896 -1.376 264 HG2 LYS 42 HG2 LYS 42 16.149 0.425 -2.649 265 HG3 LYS 42 HG3 LYS 42 15.969 -1.261 -2.158 266 HD2 LYS 42 HD2 LYS 42 16.017 -1.238 -4.533 267 HD3 LYS 42 HD3 LYS 42 14.340 -1.526 -4.062 268 HE2 LYS 42 HE2 LYS 42 14.232 0.069 -5.785 269 HE3 LYS 42 HE3 LYS 42 14.008 0.984 -4.295 270 HZ1 LYS 42 HZ1 LYS 42 16.150 1.104 -6.224 271 HZ2 LYS 42 HZ2 LYS 42 16.673 1.075 -4.616 272 HZ3 LYS 42 HZ3 LYS 42 15.606 2.280 -5.136 273 H TRP 43 H TRP 43 11.835 -2.320 -1.636 274 HA TRP 43 HA TRP 43 12.860 -4.953 -1.703 275 HB2 TRP 43 HB2 TRP 43 10.440 -3.679 -2.977 276 HB3 TRP 43 HB3 TRP 43 10.805 -5.394 -3.140 277 HD1 TRP 43 HD1 TRP 43 8.992 -3.040 -0.963 278 HE1 TRP 43 HE1 TRP 43 8.277 -4.190 1.226 279 HE3 TRP 43 HE3 TRP 43 11.844 -7.269 -1.300 280 HZ2 TRP 43 HZ2 TRP 43 8.848 -6.574 2.625 281 HZ3 TRP 43 HZ3 TRP 43 11.702 -8.934 0.506 282 HH2 TRP 43 HH2 TRP 43 10.235 -8.592 2.427 283 H THR 44 H THR 44 14.327 -5.739 -3.049 284 HA THR 44 HA THR 44 14.363 -4.753 -5.826 285 HB THR 44 HB THR 44 16.770 -5.550 -4.176 286 HG1 THR 44 HG1 THR 44 16.645 -3.523 -3.584 287 HG21 THR 44 HG21 THR 44 17.757 -4.283 -6.347 288 HG22 THR 44 HG22 THR 44 16.345 -5.066 -7.057 289 HG23 THR 44 HG23 THR 44 17.571 -6.033 -6.237 290 H GLU 45 H GLU 45 14.529 -6.251 -7.428 291 HA GLU 45 HA GLU 45 13.800 -8.917 -6.876 292 HB2 GLU 45 HB2 GLU 45 13.482 -7.525 -9.036 293 HB3 GLU 45 HB3 GLU 45 15.103 -8.066 -9.446 294 HG2 GLU 45 HG2 GLU 45 14.354 -10.397 -9.253 295 HG3 GLU 45 HG3 GLU 45 12.723 -9.826 -8.906 296 H ILE 46 H ILE 46 14.960 -10.704 -6.503 297 HA ILE 46 HA ILE 46 17.883 -10.550 -6.849 298 HB ILE 46 HB ILE 46 18.126 -12.024 -4.893 299 HG12 ILE 46 HG12 ILE 46 15.173 -11.532 -4.456 300 HG13 ILE 46 HG13 ILE 46 15.853 -13.043 -5.049 301 HG21 ILE 46 HG21 ILE 46 18.442 -10.140 -3.768 302 HG22 ILE 46 HG22 ILE 46 17.405 -9.283 -4.907 303 HG23 ILE 46 HG23 ILE 46 16.709 -10.021 -3.464 304 HD11 ILE 46 HD11 ILE 46 15.287 -12.621 -2.491 305 HD12 ILE 46 HD12 ILE 46 16.621 -13.651 -3.012 306 HD13 ILE 46 HD13 ILE 46 16.934 -11.991 -2.509 307 H GLN 47 H GLN 47 15.005 -12.209 -7.545 308 HA GLN 47 HA GLN 47 16.502 -14.258 -8.970 309 HB2 GLN 47 HB2 GLN 47 15.827 -15.068 -6.609 310 HB3 GLN 47 HB3 GLN 47 14.190 -15.116 -7.251 311 HG2 GLN 47 HG2 GLN 47 15.573 -16.467 -9.167 312 HG3 GLN 47 HG3 GLN 47 16.446 -16.917 -7.703 313 HE21 GLN 47 HE21 GLN 47 13.340 -16.944 -9.307 314 HE22 GLN 47 HE22 GLN 47 12.643 -18.208 -8.357 315 H ASP 48 H ASP 48 15.315 -15.264 -10.656 316 HA ASP 48 HA ASP 48 12.819 -13.862 -11.359 317 HB2 ASP 48 HB2 ASP 48 14.420 -13.081 -12.906 318 HB3 ASP 48 HB3 ASP 48 15.149 -14.675 -13.083 319 H CYS 49 H CYS 49 11.153 -15.199 -11.186 320 HA CYS 49 HA CYS 49 11.451 -18.047 -11.256 321 HB2 CYS 49 HB2 CYS 49 9.307 -16.119 -10.666 322 HB3 CYS 49 HB3 CYS 49 8.753 -17.623 -11.394 323 H GLY 50 H GLY 50 10.669 -15.586 -13.557 324 HA2 GLY 50 HA2 GLY 50 10.655 -15.831 -15.879 325 HA3 GLY 50 HA3 GLY 50 10.617 -17.576 -15.671 326 H GLY 51 H GLY 51 8.394 -17.990 -14.168 327 HA2 GLY 51 HA2 GLY 51 6.256 -16.927 -15.909 328 HA3 GLY 51 HA3 GLY 51 6.257 -18.554 -15.245 329 H ALA 52 H ALA 52 4.234 -16.455 -15.009 330 HA ALA 52 HA ALA 52 4.337 -15.404 -12.352 331 HB1 ALA 52 HB1 ALA 52 3.076 -14.337 -14.196 332 HB2 ALA 52 HB2 ALA 52 1.939 -15.686 -14.158 333 HB3 ALA 52 HB3 ALA 52 2.096 -14.624 -12.758 334 H SER 53 H SER 53 4.858 -17.514 -11.332 335 HA SER 53 HA SER 53 2.394 -18.777 -10.408 336 HB2 SER 53 HB2 SER 53 3.160 -20.224 -12.235 337 HB3 SER 53 HB3 SER 53 4.749 -20.351 -11.481 338 HG SER 53 HG SER 53 3.577 -22.143 -10.889 339 H CYS 54 H CYS 54 4.970 -17.127 -9.592 340 HA CYS 54 HA CYS 54 6.098 -18.696 -7.477 341 HB2 CYS 54 HB2 CYS 54 7.177 -16.733 -8.769 342 HB3 CYS 54 HB3 CYS 54 6.276 -15.699 -7.665 343 H ARG 55 H ARG 55 5.298 -19.011 -5.513 344 HA ARG 55 HA ARG 55 3.534 -16.989 -4.335 345 HB2 ARG 55 HB2 ARG 55 2.594 -19.408 -5.384 346 HB3 ARG 55 HB3 ARG 55 2.649 -19.657 -3.644 347 HG2 ARG 55 HG2 ARG 55 1.184 -17.475 -5.109 348 HG3 ARG 55 HG3 ARG 55 0.476 -18.855 -4.267 349 HD2 ARG 55 HD2 ARG 55 1.958 -17.786 -2.284 350 HD3 ARG 55 HD3 ARG 55 1.567 -16.332 -3.201 351 HE ARG 55 HE ARG 55 -0.567 -16.484 -2.417 352 HH11 ARG 55 HH11 ARG 55 0.945 -19.606 -2.128 353 HH12 ARG 55 HH12 ARG 55 -0.393 -20.322 -1.292 354 HH21 ARG 55 HH21 ARG 55 -2.335 -17.415 -1.317 355 HH22 ARG 55 HH22 ARG 55 -2.259 -19.075 -0.832 356 H GLY 56 H GLY 56 3.756 -16.727 -2.157 357 HA2 GLY 56 HA2 GLY 56 5.499 -18.637 -0.739 358 HA3 GLY 56 HA3 GLY 56 5.817 -16.910 -0.658 359 H VAL 57 H VAL 57 5.626 -17.347 1.685 360 HA VAL 57 HA VAL 57 2.809 -17.414 2.551 361 HB VAL 57 HB VAL 57 3.674 -18.109 4.775 362 HG11 VAL 57 HG11 VAL 57 2.888 -19.946 3.677 363 HG12 VAL 57 HG12 VAL 57 3.989 -19.740 2.313 364 HG13 VAL 57 HG13 VAL 57 4.581 -20.411 3.833 365 HG21 VAL 57 HG21 VAL 57 5.923 -18.719 5.126 366 HG22 VAL 57 HG22 VAL 57 6.303 -18.616 3.407 367 HG23 VAL 57 HG23 VAL 57 5.983 -17.147 4.329 368 H SER 58 H SER 58 2.403 -16.188 4.612 369 HA SER 58 HA SER 58 3.030 -13.475 4.254 370 HB2 SER 58 HB2 SER 58 1.019 -14.394 5.464 371 HB3 SER 58 HB3 SER 58 2.080 -14.751 6.827 372 HG SER 58 HG SER 58 1.090 -12.332 5.937 373 H GLN 59 H GLN 59 4.793 -15.992 5.718 374 HA GLN 59 HA GLN 59 6.414 -14.146 7.310 375 HB2 GLN 59 HB2 GLN 59 6.387 -17.163 7.160 376 HB3 GLN 59 HB3 GLN 59 7.495 -16.233 8.160 377 HG2 GLN 59 HG2 GLN 59 5.983 -15.985 9.760 378 HG3 GLN 59 HG3 GLN 59 4.754 -15.450 8.614 379 HE21 GLN 59 HE21 GLN 59 3.000 -16.623 8.861 380 HE22 GLN 59 HE22 GLN 59 2.939 -18.336 9.075 381 H GLY 60 H GLY 60 6.345 -14.729 4.232 382 HA2 GLY 60 HA2 GLY 60 8.069 -14.129 2.731 383 HA3 GLY 60 HA3 GLY 60 9.253 -14.564 3.954 384 H GLY 61 H GLY 61 10.487 -16.129 3.139 385 HA2 GLY 61 HA2 GLY 61 11.116 -18.081 2.104 386 HA3 GLY 61 HA3 GLY 61 9.624 -18.732 2.766 387 H ALA 62 H ALA 62 9.866 -16.138 0.394 388 HA ALA 62 HA ALA 62 7.899 -17.066 -1.295 389 HB1 ALA 62 HB1 ALA 62 9.942 -15.746 -2.831 390 HB2 ALA 62 HB2 ALA 62 8.339 -15.172 -2.368 391 HB3 ALA 62 HB3 ALA 62 9.708 -14.935 -1.282 392 H ARG 63 H ARG 63 7.732 -18.655 -2.742 393 HA ARG 63 HA ARG 63 10.179 -19.842 -3.847 394 HB2 ARG 63 HB2 ARG 63 9.192 -22.103 -3.554 395 HB3 ARG 63 HB3 ARG 63 9.548 -21.301 -2.030 396 HG2 ARG 63 HG2 ARG 63 6.812 -21.045 -3.164 397 HG3 ARG 63 HG3 ARG 63 7.284 -22.570 -2.412 398 HD2 ARG 63 HD2 ARG 63 8.096 -21.079 -0.460 399 HD3 ARG 63 HD3 ARG 63 7.070 -19.844 -1.190 400 HE ARG 63 HE ARG 63 5.406 -21.953 -0.998 401 HH11 ARG 63 HH11 ARG 63 7.526 -20.404 1.288 402 HH12 ARG 63 HH12 ARG 63 6.540 -20.786 2.660 403 HH21 ARG 63 HH21 ARG 63 4.098 -22.462 0.801 404 HH22 ARG 63 HH22 ARG 63 4.591 -21.957 2.382 405 H CYS 64 H CYS 64 9.969 -20.758 -5.900 406 HA CYS 64 HA CYS 64 8.005 -19.569 -7.567 407 HB2 CYS 64 HB2 CYS 64 10.475 -20.593 -8.005 408 HB3 CYS 64 HB3 CYS 64 9.478 -21.911 -8.612 Start of MODEL 8 1 H1 ASP 1 H ASP 1 5.290 0.408 0.621 2 HA ASP 1 HA ASP 1 2.582 -0.015 -0.455 3 HB2 ASP 1 HB2 ASP 1 5.157 0.857 -1.734 4 HB3 ASP 1 HB3 ASP 1 3.877 0.132 -2.704 5 H THR 2 H THR 2 2.192 -2.129 0.003 6 HA THR 2 HA THR 2 4.196 -4.160 -0.437 7 HB THR 2 HB THR 2 2.079 -5.667 0.013 8 HG1 THR 2 HG1 THR 2 0.781 -4.217 1.573 9 HG21 THR 2 HG21 THR 2 3.621 -5.828 1.685 10 HG22 THR 2 HG22 THR 2 2.389 -4.912 2.554 11 HG23 THR 2 HG23 THR 2 3.778 -4.080 1.856 12 H CYS 3 H CYS 3 1.353 -2.926 -2.075 13 HA CYS 3 HA CYS 3 2.148 -3.984 -4.574 14 HB2 CYS 3 HB2 CYS 3 1.202 -6.026 -3.309 15 HB3 CYS 3 HB3 CYS 3 -0.370 -5.268 -3.541 16 H GLY 4 H GLY 4 1.055 -1.579 -3.110 17 HA2 GLY 4 HA2 GLY 4 -0.279 0.222 -3.600 18 HA3 GLY 4 HA3 GLY 4 -0.332 -0.410 -5.239 19 H GLY 5 H GLY 5 -1.479 -2.507 -2.780 20 HA2 GLY 5 HA2 GLY 5 -3.797 -2.379 -1.913 21 HA3 GLY 5 HA3 GLY 5 -4.258 -1.811 -3.511 22 H GLY 6 H GLY 6 -4.545 -4.366 -1.596 23 HA2 GLY 6 HA2 GLY 6 -5.345 -6.482 -2.106 24 HA3 GLY 6 HA3 GLY 6 -5.038 -6.155 -3.805 25 H TYR 7 H TYR 7 -2.498 -5.675 -1.501 26 HA TYR 7 HA TYR 7 -0.750 -7.439 -2.844 27 HB2 TYR 7 HB2 TYR 7 0.875 -6.816 -1.260 28 HB3 TYR 7 HB3 TYR 7 -0.164 -5.402 -1.398 29 HD1 TYR 7 HD1 TYR 7 -1.950 -5.051 0.380 30 HD2 TYR 7 HD2 TYR 7 1.223 -7.851 0.818 31 HE1 TYR 7 HE1 TYR 7 -2.318 -5.079 2.812 32 HE2 TYR 7 HE2 TYR 7 0.863 -7.888 3.250 33 HH TYR 7 HH TYR 7 -1.027 -5.603 4.863 34 H GLY 8 H GLY 8 0.017 -9.466 -2.314 35 HA2 GLY 8 HA2 GLY 8 -1.808 -11.131 -0.827 36 HA3 GLY 8 HA3 GLY 8 -0.372 -11.664 -1.688 37 H VAL 9 H VAL 9 -0.392 -13.018 0.385 38 HA VAL 9 HA VAL 9 0.479 -11.717 2.792 39 HB VAL 9 HB VAL 9 0.873 -14.037 3.620 40 HG11 VAL 9 HG11 VAL 9 -1.337 -14.367 4.071 41 HG12 VAL 9 HG12 VAL 9 -1.421 -12.722 3.439 42 HG13 VAL 9 HG13 VAL 9 -1.834 -14.088 2.402 43 HG21 VAL 9 HG21 VAL 9 0.648 -14.606 0.788 44 HG22 VAL 9 HG22 VAL 9 1.284 -15.608 2.092 45 HG23 VAL 9 HG23 VAL 9 -0.446 -15.601 1.750 46 H ASP 10 H ASP 10 2.011 -13.418 0.127 47 HA ASP 10 HA ASP 10 4.636 -12.773 1.302 48 HB2 ASP 10 HB2 ASP 10 4.131 -15.225 1.119 49 HB3 ASP 10 HB3 ASP 10 4.046 -15.023 -0.629 50 H GLN 11 H GLN 11 2.797 -11.252 -0.540 51 HA GLN 11 HA GLN 11 4.566 -11.029 -2.878 52 HB2 GLN 11 HB2 GLN 11 1.747 -9.996 -2.534 53 HB3 GLN 11 HB3 GLN 11 2.706 -9.922 -4.006 54 HG2 GLN 11 HG2 GLN 11 2.792 -12.555 -3.577 55 HG3 GLN 11 HG3 GLN 11 1.256 -12.189 -2.795 56 HE21 GLN 11 HE21 GLN 11 2.199 -13.510 -5.413 57 HE22 GLN 11 HE22 GLN 11 1.149 -12.822 -6.599 58 H ARG 12 H ARG 12 5.507 -9.102 -3.421 59 HA ARG 12 HA ARG 12 4.991 -6.790 -1.687 60 HB2 ARG 12 HB2 ARG 12 7.692 -7.974 -2.339 61 HB3 ARG 12 HB3 ARG 12 7.475 -6.363 -1.668 62 HG2 ARG 12 HG2 ARG 12 6.501 -8.881 -0.342 63 HG3 ARG 12 HG3 ARG 12 8.050 -8.111 0.003 64 HD2 ARG 12 HD2 ARG 12 6.810 -6.035 0.597 65 HD3 ARG 12 HD3 ARG 12 5.305 -6.931 0.397 66 HE ARG 12 HE ARG 12 6.711 -8.426 2.173 67 HH11 ARG 12 HH11 ARG 12 5.779 -5.075 2.034 68 HH12 ARG 12 HH12 ARG 12 5.691 -4.892 3.755 69 HH21 ARG 12 HH21 ARG 12 6.599 -8.199 4.440 70 HH22 ARG 12 HH22 ARG 12 6.158 -6.670 5.122 71 H ARG 13 H ARG 13 5.830 -4.752 -2.587 72 HA ARG 13 HA ARG 13 5.506 -4.740 -5.495 73 HB2 ARG 13 HB2 ARG 13 4.071 -3.270 -4.077 74 HB3 ARG 13 HB3 ARG 13 5.518 -2.404 -3.578 75 HG2 ARG 13 HG2 ARG 13 5.088 -1.038 -5.280 76 HG3 ARG 13 HG3 ARG 13 5.691 -2.335 -6.314 77 HD2 ARG 13 HD2 ARG 13 3.180 -3.172 -6.049 78 HD3 ARG 13 HD3 ARG 13 2.908 -1.449 -5.791 79 HE ARG 13 HE ARG 13 3.515 -2.736 -8.263 80 HH11 ARG 13 HH11 ARG 13 3.911 0.221 -6.469 81 HH12 ARG 13 HH12 ARG 13 4.071 1.210 -7.883 82 HH21 ARG 13 HH21 ARG 13 3.724 -1.445 -10.131 83 HH22 ARG 13 HH22 ARG 13 3.964 0.261 -9.965 84 H THR 14 H THR 14 7.058 -4.075 -6.883 85 HA THR 14 HA THR 14 9.760 -4.021 -5.980 86 HB THR 14 HB THR 14 8.857 -3.136 -8.714 87 HG1 THR 14 HG1 THR 14 9.170 -5.800 -7.744 88 HG21 THR 14 HG21 THR 14 11.350 -4.384 -7.579 89 HG22 THR 14 HG22 THR 14 11.184 -2.850 -8.433 90 HG23 THR 14 HG23 THR 14 11.005 -4.371 -9.308 91 H ASN 15 H ASN 15 11.213 -2.332 -5.887 92 HA ASN 15 HA ASN 15 11.961 -0.205 -5.586 93 HB2 ASN 15 HB2 ASN 15 9.660 0.876 -7.178 94 HB3 ASN 15 HB3 ASN 15 11.330 1.432 -7.120 95 HD21 ASN 15 HD21 ASN 15 12.949 -0.171 -7.967 96 HD22 ASN 15 HD22 ASN 15 12.515 -1.033 -9.400 97 H SER 16 H SER 16 9.794 -1.426 -3.908 98 HA SER 16 HA SER 16 8.596 1.036 -2.829 99 HB2 SER 16 HB2 SER 16 7.741 -1.853 -2.686 100 HB3 SER 16 HB3 SER 16 7.078 -0.630 -1.602 101 HG SER 16 HG SER 16 7.057 -0.387 -4.425 102 HA PRO 17 HA PRO 17 11.033 0.794 0.814 103 HB2 PRO 17 HB2 PRO 17 9.313 1.820 2.647 104 HB3 PRO 17 HB3 PRO 17 10.106 2.809 1.415 105 HG2 PRO 17 HG2 PRO 17 7.335 1.676 1.440 106 HG3 PRO 17 HG3 PRO 17 7.879 3.292 0.951 107 HD2 PRO 17 HD2 PRO 17 7.322 1.337 -0.839 108 HD3 PRO 17 HD3 PRO 17 8.570 2.567 -1.126 109 H CYS 18 H CYS 18 11.516 -0.703 2.315 110 HA CYS 18 HA CYS 18 9.356 -2.475 3.251 111 HB2 CYS 18 HB2 CYS 18 11.062 -4.306 3.294 112 HB3 CYS 18 HB3 CYS 18 10.680 -3.724 1.677 113 H GLN 19 H GLN 19 10.016 -3.700 5.272 114 HA GLN 19 HA GLN 19 10.944 -1.771 7.211 115 HB2 GLN 19 HB2 GLN 19 9.590 -4.417 7.299 116 HB3 GLN 19 HB3 GLN 19 10.524 -3.942 8.711 117 HG2 GLN 19 HG2 GLN 19 8.921 -2.585 9.400 118 HG3 GLN 19 HG3 GLN 19 8.861 -1.771 7.837 119 HE21 GLN 19 HE21 GLN 19 7.661 -4.518 9.667 120 HE22 GLN 19 HE22 GLN 19 6.210 -4.731 8.754 121 H ALA 20 H ALA 20 12.470 -2.506 8.958 122 HA ALA 20 HA ALA 20 14.963 -3.182 7.814 123 HB1 ALA 20 HB1 ALA 20 15.665 -2.222 9.684 124 HB2 ALA 20 HB2 ALA 20 14.015 -2.212 10.308 125 HB3 ALA 20 HB3 ALA 20 15.066 -3.593 10.619 126 H SER 21 H SER 21 12.601 -5.030 9.679 127 HA SER 21 HA SER 21 14.220 -7.355 9.951 128 HB2 SER 21 HB2 SER 21 11.489 -8.100 10.064 129 HB3 SER 21 HB3 SER 21 12.592 -7.829 11.413 130 HG SER 21 HG SER 21 11.112 -6.336 11.803 131 H ASN 22 H ASN 22 12.145 -6.124 7.466 132 HA ASN 22 HA ASN 22 11.581 -8.521 6.102 133 HB2 ASN 22 HB2 ASN 22 11.741 -5.651 5.184 134 HB3 ASN 22 HB3 ASN 22 11.285 -6.963 4.102 135 HD21 ASN 22 HD21 ASN 22 9.409 -5.303 4.138 136 HD22 ASN 22 HD22 ASN 22 8.119 -5.689 5.221 137 H GLY 23 H GLY 23 14.466 -6.705 6.411 138 HA2 GLY 23 HA2 GLY 23 15.741 -7.313 3.975 139 HA3 GLY 23 HA3 GLY 23 16.554 -6.926 5.484 140 H ASP 24 H ASP 24 14.887 -9.346 6.560 141 HA ASP 24 HA ASP 24 16.830 -11.375 5.671 142 HB2 ASP 24 HB2 ASP 24 16.464 -10.454 8.216 143 HB3 ASP 24 HB3 ASP 24 15.407 -11.863 8.202 144 H ARG 25 H ARG 25 14.361 -10.805 4.316 145 HA ARG 25 HA ARG 25 13.184 -13.467 4.452 146 HB2 ARG 25 HB2 ARG 25 11.332 -11.106 4.362 147 HB3 ARG 25 HB3 ARG 25 10.968 -12.781 4.756 148 HG2 ARG 25 HG2 ARG 25 12.282 -12.509 6.849 149 HG3 ARG 25 HG3 ARG 25 12.448 -10.795 6.463 150 HD2 ARG 25 HD2 ARG 25 10.414 -10.352 7.247 151 HD3 ARG 25 HD3 ARG 25 9.698 -11.628 6.262 152 HE ARG 25 HE ARG 25 10.946 -12.854 8.420 153 HH11 ARG 25 HH11 ARG 25 8.318 -10.644 7.847 154 HH12 ARG 25 HH12 ARG 25 7.420 -11.145 9.241 155 HH21 ARG 25 HH21 ARG 25 9.773 -13.523 10.258 156 HH22 ARG 25 HH22 ARG 25 8.249 -12.782 10.612 157 H HIS 26 H HIS 26 11.707 -13.869 2.588 158 HA HIS 26 HA HIS 26 12.429 -12.223 0.255 159 HB2 HIS 26 HB2 HIS 26 12.414 -15.229 0.499 160 HB3 HIS 26 HB3 HIS 26 12.374 -14.407 -1.058 161 HD1 HIS 26 HD1 HIS 26 14.728 -16.236 -0.301 162 HD2 HIS 26 HD2 HIS 26 14.680 -12.125 0.297 163 HE1 HIS 26 HE1 HIS 26 17.143 -15.543 -0.196 164 H PHE 27 H PHE 27 10.815 -11.742 -1.142 165 HA PHE 27 HA PHE 27 8.216 -13.059 -0.752 166 HB2 PHE 27 HB2 PHE 27 8.780 -10.098 -0.862 167 HB3 PHE 27 HB3 PHE 27 7.180 -10.764 -1.172 168 HD1 PHE 27 HD1 PHE 27 5.714 -10.840 0.585 169 HD2 PHE 27 HD2 PHE 27 9.891 -11.025 1.380 170 HE1 PHE 27 HE1 PHE 27 5.250 -10.853 3.001 171 HE2 PHE 27 HE2 PHE 27 9.434 -11.039 3.797 172 HZ PHE 27 HZ PHE 27 7.111 -10.954 4.611 173 H CYS 28 H CYS 28 6.970 -13.333 -2.577 174 HA CYS 28 HA CYS 28 8.394 -13.123 -5.093 175 HB2 CYS 28 HB2 CYS 28 5.890 -14.487 -4.174 176 HB3 CYS 28 HB3 CYS 28 6.150 -14.225 -5.896 177 H GLY 29 H GLY 29 8.144 -11.536 -6.521 178 HA2 GLY 29 HA2 GLY 29 6.797 -9.199 -6.139 179 HA3 GLY 29 HA3 GLY 29 7.163 -9.838 -7.734 180 H CYS 30 H CYS 30 4.893 -8.261 -7.073 181 HA CYS 30 HA CYS 30 2.562 -9.731 -6.604 182 HB2 CYS 30 HB2 CYS 30 3.076 -7.148 -8.066 183 HB3 CYS 30 HB3 CYS 30 1.454 -7.812 -7.904 184 H ASP 31 H ASP 31 4.571 -9.537 -9.387 185 HA ASP 31 HA ASP 31 2.549 -10.458 -11.237 186 HB2 ASP 31 HB2 ASP 31 5.503 -9.921 -11.457 187 HB3 ASP 31 HB3 ASP 31 4.616 -10.711 -12.757 188 H ARG 32 H ARG 32 4.466 -11.889 -8.896 189 HA ARG 32 HA ARG 32 4.991 -14.038 -8.365 190 HB2 ARG 32 HB2 ARG 32 2.816 -14.696 -10.361 191 HB3 ARG 32 HB3 ARG 32 3.465 -15.789 -9.145 192 HG2 ARG 32 HG2 ARG 32 2.092 -14.999 -7.594 193 HG3 ARG 32 HG3 ARG 32 2.546 -13.331 -7.948 194 HD2 ARG 32 HD2 ARG 32 0.265 -13.390 -8.414 195 HD3 ARG 32 HD3 ARG 32 1.017 -13.568 -9.999 196 HE ARG 32 HE ARG 32 0.625 -16.128 -9.106 197 HH11 ARG 32 HH11 ARG 32 -1.395 -13.349 -9.669 198 HH12 ARG 32 HH12 ARG 32 -2.799 -14.286 -10.061 199 HH21 ARG 32 HH21 ARG 32 -1.216 -17.373 -9.620 200 HH22 ARG 32 HH22 ARG 32 -2.696 -16.575 -10.032 201 H THR 33 H THR 33 6.121 -12.674 -10.860 202 HA THR 33 HA THR 33 7.040 -15.078 -12.284 203 HB THR 33 HB THR 33 7.864 -13.442 -14.018 204 HG1 THR 33 HG1 THR 33 7.485 -11.351 -13.761 205 HG21 THR 33 HG21 THR 33 5.507 -12.884 -14.825 206 HG22 THR 33 HG22 THR 33 4.939 -13.673 -13.353 207 HG23 THR 33 HG23 THR 33 5.870 -14.586 -14.540 208 H GLY 34 H GLY 34 8.013 -12.640 -10.101 209 HA2 GLY 34 HA2 GLY 34 10.751 -13.673 -10.186 210 HA3 GLY 34 HA3 GLY 34 10.530 -11.942 -10.393 211 H ILE 35 H ILE 35 12.014 -13.157 -8.305 212 HA ILE 35 HA ILE 35 10.319 -12.637 -5.955 213 HB ILE 35 HB ILE 35 12.998 -14.021 -5.959 214 HG12 ILE 35 HG12 ILE 35 10.242 -15.272 -5.962 215 HG13 ILE 35 HG13 ILE 35 11.358 -15.277 -7.323 216 HG21 ILE 35 HG21 ILE 35 10.802 -14.114 -3.903 217 HG22 ILE 35 HG22 ILE 35 12.459 -14.696 -3.747 218 HG23 ILE 35 HG23 ILE 35 12.138 -12.965 -3.845 219 HD11 ILE 35 HD11 ILE 35 11.427 -16.834 -4.803 220 HD12 ILE 35 HD12 ILE 35 11.779 -17.333 -6.458 221 HD13 ILE 35 HD13 ILE 35 12.960 -16.389 -5.551 222 H VAL 36 H VAL 36 10.737 -10.950 -4.667 223 HA VAL 36 HA VAL 36 13.247 -9.466 -5.108 224 HB VAL 36 HB VAL 36 12.092 -7.396 -4.667 225 HG11 VAL 36 HG11 VAL 36 11.434 -7.223 -6.789 226 HG12 VAL 36 HG12 VAL 36 11.732 -8.957 -6.925 227 HG13 VAL 36 HG13 VAL 36 10.113 -8.366 -6.550 228 HG21 VAL 36 HG21 VAL 36 10.300 -7.426 -3.348 229 HG22 VAL 36 HG22 VAL 36 9.373 -8.008 -4.730 230 HG23 VAL 36 HG23 VAL 36 10.074 -9.158 -3.591 231 H GLU 37 H GLU 37 14.315 -8.649 -3.330 232 HA GLU 37 HA GLU 37 13.250 -9.453 -0.702 233 HB2 GLU 37 HB2 GLU 37 15.087 -10.909 -1.231 234 HB3 GLU 37 HB3 GLU 37 16.093 -9.550 -1.712 235 HG2 GLU 37 HG2 GLU 37 16.133 -8.749 0.586 236 HG3 GLU 37 HG3 GLU 37 15.101 -10.091 1.077 237 H CYS 38 H CYS 38 13.725 -8.101 1.070 238 HA CYS 38 HA CYS 38 13.716 -5.331 0.477 239 HB2 CYS 38 HB2 CYS 38 12.567 -6.105 2.439 240 HB3 CYS 38 HB3 CYS 38 14.037 -6.834 3.078 241 H LYS 39 H LYS 39 15.504 -4.516 -0.471 242 HA LYS 39 HA LYS 39 18.035 -4.776 1.014 243 HB2 LYS 39 HB2 LYS 39 17.704 -4.622 -1.988 244 HB3 LYS 39 HB3 LYS 39 19.238 -4.660 -1.130 245 HG2 LYS 39 HG2 LYS 39 18.196 -6.891 -0.144 246 HG3 LYS 39 HG3 LYS 39 17.304 -6.838 -1.665 247 HD2 LYS 39 HD2 LYS 39 19.174 -7.166 -2.931 248 HD3 LYS 39 HD3 LYS 39 20.232 -6.360 -1.771 249 HE2 LYS 39 HE2 LYS 39 19.622 -8.433 -0.273 250 HE3 LYS 39 HE3 LYS 39 19.264 -9.180 -1.830 251 HZ1 LYS 39 HZ1 LYS 39 21.808 -7.768 -1.562 252 HZ2 LYS 39 HZ2 LYS 39 21.433 -9.162 -2.443 253 HZ3 LYS 39 HZ3 LYS 39 21.659 -9.255 -0.769 254 H GLY 40 H GLY 40 19.144 -2.926 1.411 255 HA2 GLY 40 HA2 GLY 40 19.524 -0.674 1.634 256 HA3 GLY 40 HA3 GLY 40 19.036 -0.555 -0.050 257 H GLY 41 H GLY 41 16.746 -1.850 2.174 258 HA2 GLY 41 HA2 GLY 41 14.953 -0.856 3.287 259 HA3 GLY 41 HA3 GLY 41 15.509 0.715 2.731 260 H LYS 42 H LYS 42 15.453 -1.364 0.140 261 HA LYS 42 HA LYS 42 12.656 -0.769 -0.524 262 HB2 LYS 42 HB2 LYS 42 13.201 0.099 -2.666 263 HB3 LYS 42 HB3 LYS 42 14.233 0.941 -1.518 264 HG2 LYS 42 HG2 LYS 42 15.955 0.395 -2.796 265 HG3 LYS 42 HG3 LYS 42 15.711 -1.282 -2.303 266 HD2 LYS 42 HD2 LYS 42 15.763 -1.199 -4.700 267 HD3 LYS 42 HD3 LYS 42 14.106 -1.534 -4.193 268 HE2 LYS 42 HE2 LYS 42 14.150 0.110 -5.990 269 HE3 LYS 42 HE3 LYS 42 13.538 0.826 -4.500 270 HZ1 LYS 42 HZ1 LYS 42 15.455 2.048 -4.198 271 HZ2 LYS 42 HZ2 LYS 42 15.270 2.106 -5.878 272 HZ3 LYS 42 HZ3 LYS 42 16.394 1.047 -5.188 273 H TRP 43 H TRP 43 11.648 -2.252 -1.858 274 HA TRP 43 HA TRP 43 12.710 -4.889 -1.833 275 HB2 TRP 43 HB2 TRP 43 10.270 -3.673 -3.126 276 HB3 TRP 43 HB3 TRP 43 10.666 -5.383 -3.273 277 HD1 TRP 43 HD1 TRP 43 8.775 -3.066 -1.139 278 HE1 TRP 43 HE1 TRP 43 8.092 -4.202 1.067 279 HE3 TRP 43 HE3 TRP 43 11.782 -7.193 -1.387 280 HZ2 TRP 43 HZ2 TRP 43 8.742 -6.539 2.511 281 HZ3 TRP 43 HZ3 TRP 43 11.691 -8.830 0.448 282 HH2 TRP 43 HH2 TRP 43 10.203 -8.508 2.356 283 H THR 44 H THR 44 14.195 -5.666 -3.164 284 HA THR 44 HA THR 44 14.220 -4.721 -5.955 285 HB THR 44 HB THR 44 16.630 -5.425 -4.269 286 HG1 THR 44 HG1 THR 44 17.065 -3.231 -4.368 287 HG21 THR 44 HG21 THR 44 16.224 -5.229 -7.148 288 HG22 THR 44 HG22 THR 44 17.583 -5.893 -6.241 289 HG23 THR 44 HG23 THR 44 17.499 -4.162 -6.562 290 H GLU 45 H GLU 45 14.425 -6.240 -7.535 291 HA GLU 45 HA GLU 45 13.729 -8.904 -6.960 292 HB2 GLU 45 HB2 GLU 45 13.396 -7.603 -9.138 293 HB3 GLU 45 HB3 GLU 45 15.067 -8.005 -9.505 294 HG2 GLU 45 HG2 GLU 45 14.582 -10.337 -9.519 295 HG3 GLU 45 HG3 GLU 45 12.957 -10.058 -8.895 296 H ILE 46 H ILE 46 14.904 -10.636 -6.449 297 HA ILE 46 HA ILE 46 17.830 -10.474 -6.768 298 HB ILE 46 HB ILE 46 18.057 -11.871 -4.759 299 HG12 ILE 46 HG12 ILE 46 15.100 -11.407 -4.340 300 HG13 ILE 46 HG13 ILE 46 15.771 -12.909 -4.965 301 HG21 ILE 46 HG21 ILE 46 16.444 -9.373 -4.261 302 HG22 ILE 46 HG22 ILE 46 17.541 -10.154 -3.124 303 HG23 ILE 46 HG23 ILE 46 18.174 -9.422 -4.598 304 HD11 ILE 46 HD11 ILE 46 16.885 -11.907 -2.421 305 HD12 ILE 46 HD12 ILE 46 15.234 -12.528 -2.393 306 HD13 ILE 46 HD13 ILE 46 16.554 -13.557 -2.949 307 H GLN 47 H GLN 47 14.991 -12.161 -7.503 308 HA GLN 47 HA GLN 47 16.520 -14.233 -8.841 309 HB2 GLN 47 HB2 GLN 47 15.874 -14.994 -6.456 310 HB3 GLN 47 HB3 GLN 47 14.237 -15.098 -7.089 311 HG2 GLN 47 HG2 GLN 47 15.617 -16.473 -8.975 312 HG3 GLN 47 HG3 GLN 47 16.546 -16.846 -7.523 313 HE21 GLN 47 HE21 GLN 47 13.367 -16.979 -8.993 314 HE22 GLN 47 HE22 GLN 47 12.752 -18.252 -8.000 315 H ASP 48 H ASP 48 15.348 -15.316 -10.490 316 HA ASP 48 HA ASP 48 12.829 -13.974 -11.231 317 HB2 ASP 48 HB2 ASP 48 14.879 -13.469 -12.661 318 HB3 ASP 48 HB3 ASP 48 14.800 -15.147 -13.192 319 H CYS 49 H CYS 49 11.133 -15.276 -11.181 320 HA CYS 49 HA CYS 49 11.461 -18.140 -11.072 321 HB2 CYS 49 HB2 CYS 49 9.220 -16.219 -10.684 322 HB3 CYS 49 HB3 CYS 49 8.804 -17.870 -11.129 323 H GLY 50 H GLY 50 10.703 -15.767 -13.462 324 HA2 GLY 50 HA2 GLY 50 10.679 -16.096 -15.771 325 HA3 GLY 50 HA3 GLY 50 10.628 -17.831 -15.500 326 H GLY 51 H GLY 51 8.412 -18.232 -14.033 327 HA2 GLY 51 HA2 GLY 51 6.286 -17.246 -15.827 328 HA3 GLY 51 HA3 GLY 51 6.263 -18.804 -15.014 329 H ALA 52 H ALA 52 4.280 -16.640 -14.993 330 HA ALA 52 HA ALA 52 4.391 -15.405 -12.405 331 HB1 ALA 52 HB1 ALA 52 3.252 -14.338 -14.296 332 HB2 ALA 52 HB2 ALA 52 2.069 -15.647 -14.315 333 HB3 ALA 52 HB3 ALA 52 2.169 -14.569 -12.923 334 H SER 53 H SER 53 4.770 -17.523 -11.296 335 HA SER 53 HA SER 53 2.225 -18.528 -10.298 336 HB2 SER 53 HB2 SER 53 2.839 -20.078 -12.126 337 HB3 SER 53 HB3 SER 53 4.381 -20.389 -11.328 338 HG SER 53 HG SER 53 3.362 -21.464 -9.740 339 H CYS 54 H CYS 54 4.871 -17.056 -9.538 340 HA CYS 54 HA CYS 54 5.997 -18.674 -7.462 341 HB2 CYS 54 HB2 CYS 54 7.134 -16.764 -8.750 342 HB3 CYS 54 HB3 CYS 54 6.257 -15.680 -7.675 343 H ARG 55 H ARG 55 5.209 -19.003 -5.497 344 HA ARG 55 HA ARG 55 3.574 -16.925 -4.236 345 HB2 ARG 55 HB2 ARG 55 2.547 -19.366 -5.270 346 HB3 ARG 55 HB3 ARG 55 2.500 -19.471 -3.515 347 HG2 ARG 55 HG2 ARG 55 1.244 -17.346 -5.235 348 HG3 ARG 55 HG3 ARG 55 0.415 -18.599 -4.309 349 HD2 ARG 55 HD2 ARG 55 1.490 -17.597 -2.248 350 HD3 ARG 55 HD3 ARG 55 1.966 -16.240 -3.268 351 HE ARG 55 HE ARG 55 -0.848 -16.876 -3.342 352 HH11 ARG 55 HH11 ARG 55 1.665 -15.028 -1.797 353 HH12 ARG 55 HH12 ARG 55 0.582 -13.820 -1.189 354 HH21 ARG 55 HH21 ARG 55 -2.284 -15.292 -2.547 355 HH22 ARG 55 HH22 ARG 55 -1.663 -13.971 -1.615 356 H GLY 56 H GLY 56 3.799 -16.770 -2.036 357 HA2 GLY 56 HA2 GLY 56 5.499 -18.786 -0.718 358 HA3 GLY 56 HA3 GLY 56 5.882 -17.076 -0.581 359 H VAL 57 H VAL 57 5.709 -17.564 1.746 360 HA VAL 57 HA VAL 57 2.905 -17.578 2.655 361 HB VAL 57 HB VAL 57 3.726 -18.409 4.816 362 HG11 VAL 57 HG11 VAL 57 4.971 -20.412 3.110 363 HG12 VAL 57 HG12 VAL 57 3.514 -20.514 4.101 364 HG13 VAL 57 HG13 VAL 57 3.431 -19.831 2.476 365 HG21 VAL 57 HG21 VAL 57 6.000 -19.072 5.155 366 HG22 VAL 57 HG22 VAL 57 6.417 -18.687 3.485 367 HG23 VAL 57 HG23 VAL 57 6.000 -17.395 4.610 368 H SER 58 H SER 58 2.545 -16.388 4.733 369 HA SER 58 HA SER 58 3.235 -13.691 4.452 370 HB2 SER 58 HB2 SER 58 1.236 -14.549 5.683 371 HB3 SER 58 HB3 SER 58 2.306 -15.061 6.988 372 HG SER 58 HG SER 58 1.446 -13.018 7.433 373 H GLN 59 H GLN 59 4.964 -16.289 5.838 374 HA GLN 59 HA GLN 59 6.655 -14.545 7.453 375 HB2 GLN 59 HB2 GLN 59 6.989 -17.515 7.073 376 HB3 GLN 59 HB3 GLN 59 7.590 -16.515 8.389 377 HG2 GLN 59 HG2 GLN 59 4.802 -17.466 7.871 378 HG3 GLN 59 HG3 GLN 59 5.796 -17.664 9.314 379 HE21 GLN 59 HE21 GLN 59 3.090 -16.358 8.530 380 HE22 GLN 59 HE22 GLN 59 3.134 -14.856 9.381 381 H GLY 60 H GLY 60 6.491 -14.996 4.329 382 HA2 GLY 60 HA2 GLY 60 8.155 -14.280 2.809 383 HA3 GLY 60 HA3 GLY 60 9.385 -14.734 3.980 384 H GLY 61 H GLY 61 10.635 -16.225 3.056 385 HA2 GLY 61 HA2 GLY 61 11.283 -18.105 1.904 386 HA3 GLY 61 HA3 GLY 61 9.848 -18.835 2.608 387 H ALA 62 H ALA 62 9.958 -16.163 0.301 388 HA ALA 62 HA ALA 62 7.919 -17.064 -1.323 389 HB1 ALA 62 HB1 ALA 62 9.688 -14.908 -1.322 390 HB2 ALA 62 HB2 ALA 62 9.893 -15.675 -2.897 391 HB3 ALA 62 HB3 ALA 62 8.294 -15.144 -2.376 392 H ARG 63 H ARG 63 7.706 -18.614 -2.806 393 HA ARG 63 HA ARG 63 10.113 -19.739 -4.052 394 HB2 ARG 63 HB2 ARG 63 9.191 -22.019 -3.768 395 HB3 ARG 63 HB3 ARG 63 9.570 -21.245 -2.235 396 HG2 ARG 63 HG2 ARG 63 6.797 -21.051 -3.303 397 HG3 ARG 63 HG3 ARG 63 7.335 -22.560 -2.561 398 HD2 ARG 63 HD2 ARG 63 8.126 -21.080 -0.615 399 HD3 ARG 63 HD3 ARG 63 7.106 -19.833 -1.331 400 HE ARG 63 HE ARG 63 5.280 -20.929 -0.512 401 HH11 ARG 63 HH11 ARG 63 7.973 -23.134 -0.573 402 HH12 ARG 63 HH12 ARG 63 7.121 -24.402 0.245 403 HH21 ARG 63 HH21 ARG 63 4.148 -22.590 0.565 404 HH22 ARG 63 HH22 ARG 63 4.945 -24.092 0.892 405 H CYS 64 H CYS 64 9.800 -20.659 -6.106 406 HA CYS 64 HA CYS 64 7.832 -19.409 -7.696 407 HB2 CYS 64 HB2 CYS 64 9.673 -21.736 -8.279 408 HB3 CYS 64 HB3 CYS 64 8.663 -20.956 -9.492 Start of MODEL 9 1 H1 ASP 1 H ASP 1 0.590 0.335 0.275 2 HA ASP 1 HA ASP 1 1.484 0.452 -1.814 3 HB2 ASP 1 HB2 ASP 1 4.256 0.655 -0.702 4 HB3 ASP 1 HB3 ASP 1 3.544 1.483 -2.084 5 H THR 2 H THR 2 1.717 -2.045 0.095 6 HA THR 2 HA THR 2 3.799 -3.673 -0.737 7 HB THR 2 HB THR 2 1.785 -5.490 -0.449 8 HG1 THR 2 HG1 THR 2 0.622 -4.425 1.439 9 HG21 THR 2 HG21 THR 2 3.877 -4.351 1.169 10 HG22 THR 2 HG22 THR 2 3.251 -6.000 1.152 11 HG23 THR 2 HG23 THR 2 2.490 -4.778 2.170 12 H CYS 3 H CYS 3 0.913 -2.737 -2.421 13 HA CYS 3 HA CYS 3 1.886 -3.721 -4.900 14 HB2 CYS 3 HB2 CYS 3 1.016 -5.828 -3.766 15 HB3 CYS 3 HB3 CYS 3 -0.593 -5.127 -3.907 16 H GLY 4 H GLY 4 0.716 -1.334 -3.556 17 HA2 GLY 4 HA2 GLY 4 -0.656 0.422 -4.104 18 HA3 GLY 4 HA3 GLY 4 -0.676 -0.254 -5.726 19 H GLY 5 H GLY 5 -1.808 -2.307 -3.222 20 HA2 GLY 5 HA2 GLY 5 -4.124 -2.245 -2.379 21 HA3 GLY 5 HA3 GLY 5 -4.595 -1.667 -3.971 22 H GLY 6 H GLY 6 -4.828 -4.250 -2.079 23 HA2 GLY 6 HA2 GLY 6 -5.618 -6.365 -2.626 24 HA3 GLY 6 HA3 GLY 6 -5.282 -6.022 -4.317 25 H TYR 7 H TYR 7 -2.792 -5.532 -1.961 26 HA TYR 7 HA TYR 7 -0.999 -7.267 -3.283 27 HB2 TYR 7 HB2 TYR 7 0.585 -6.656 -1.642 28 HB3 TYR 7 HB3 TYR 7 -0.444 -5.240 -1.828 29 HD1 TYR 7 HD1 TYR 7 -2.394 -5.002 -0.134 30 HD2 TYR 7 HD2 TYR 7 0.966 -7.539 0.475 31 HE1 TYR 7 HE1 TYR 7 -2.845 -5.007 2.284 32 HE2 TYR 7 HE2 TYR 7 0.524 -7.553 2.895 33 HH TYR 7 HH TYR 7 -1.969 -5.521 4.319 34 H GLY 8 H GLY 8 -0.076 -9.234 -2.597 35 HA2 GLY 8 HA2 GLY 8 -1.961 -10.977 -1.262 36 HA3 GLY 8 HA3 GLY 8 -0.450 -11.456 -2.021 37 H VAL 9 H VAL 9 -0.549 -12.807 0.047 38 HA VAL 9 HA VAL 9 0.111 -11.461 2.501 39 HB VAL 9 HB VAL 9 0.489 -13.743 3.394 40 HG11 VAL 9 HG11 VAL 9 -1.819 -12.546 3.019 41 HG12 VAL 9 HG12 VAL 9 -2.084 -13.883 1.897 42 HG13 VAL 9 HG13 VAL 9 -1.747 -14.210 3.598 43 HG21 VAL 9 HG21 VAL 9 -0.540 -15.443 1.508 44 HG22 VAL 9 HG22 VAL 9 0.482 -14.379 0.542 45 HG23 VAL 9 HG23 VAL 9 1.171 -15.267 1.900 46 H ASP 10 H ASP 10 1.864 -13.149 -0.036 47 HA ASP 10 HA ASP 10 4.387 -12.414 1.301 48 HB2 ASP 10 HB2 ASP 10 3.983 -14.876 1.120 49 HB3 ASP 10 HB3 ASP 10 3.970 -14.702 -0.633 50 H GLN 11 H GLN 11 2.619 -10.977 -0.687 51 HA GLN 11 HA GLN 11 4.552 -10.701 -2.886 52 HB2 GLN 11 HB2 GLN 11 1.699 -9.717 -2.822 53 HB3 GLN 11 HB3 GLN 11 2.769 -9.784 -4.216 54 HG2 GLN 11 HG2 GLN 11 2.810 -12.350 -3.636 55 HG3 GLN 11 HG3 GLN 11 1.274 -11.962 -2.861 56 HE21 GLN 11 HE21 GLN 11 2.139 -13.472 -5.364 57 HE22 GLN 11 HE22 GLN 11 1.097 -12.853 -6.594 58 H ARG 12 H ARG 12 5.569 -8.806 -3.251 59 HA ARG 12 HA ARG 12 4.750 -6.468 -1.667 60 HB2 ARG 12 HB2 ARG 12 7.514 -7.635 -1.948 61 HB3 ARG 12 HB3 ARG 12 7.247 -5.966 -1.463 62 HG2 ARG 12 HG2 ARG 12 6.029 -8.293 -0.006 63 HG3 ARG 12 HG3 ARG 12 7.616 -7.632 0.394 64 HD2 ARG 12 HD2 ARG 12 6.703 -5.548 1.012 65 HD3 ARG 12 HD3 ARG 12 5.151 -5.919 0.262 66 HE ARG 12 HE ARG 12 5.332 -7.814 2.153 67 HH11 ARG 12 HH11 ARG 12 5.804 -4.367 2.254 68 HH12 ARG 12 HH12 ARG 12 5.292 -4.214 3.902 69 HH21 ARG 12 HH21 ARG 12 4.656 -7.626 4.323 70 HH22 ARG 12 HH22 ARG 12 4.640 -6.068 5.078 71 H ARG 13 H ARG 13 5.620 -4.415 -2.509 72 HA ARG 13 HA ARG 13 5.545 -4.434 -5.425 73 HB2 ARG 13 HB2 ARG 13 4.081 -2.912 -4.025 74 HB3 ARG 13 HB3 ARG 13 5.542 -2.029 -3.602 75 HG2 ARG 13 HG2 ARG 13 4.994 -0.763 -5.365 76 HG3 ARG 13 HG3 ARG 13 5.742 -2.062 -6.297 77 HD2 ARG 13 HD2 ARG 13 3.288 -3.075 -6.091 78 HD3 ARG 13 HD3 ARG 13 2.880 -1.366 -5.952 79 HE ARG 13 HE ARG 13 3.423 -1.080 -8.166 80 HH11 ARG 13 HH11 ARG 13 4.540 -4.193 -7.079 81 HH12 ARG 13 HH12 ARG 13 4.941 -4.750 -8.670 82 HH21 ARG 13 HH21 ARG 13 3.947 -1.802 -10.265 83 HH22 ARG 13 HH22 ARG 13 4.604 -3.389 -10.481 84 H THR 14 H THR 14 7.228 -3.927 -6.701 85 HA THR 14 HA THR 14 9.851 -3.856 -5.599 86 HB THR 14 HB THR 14 9.133 -3.129 -8.437 87 HG1 THR 14 HG1 THR 14 9.301 -5.677 -7.189 88 HG21 THR 14 HG21 THR 14 11.347 -3.041 -8.677 89 HG22 THR 14 HG22 THR 14 11.430 -4.752 -8.254 90 HG23 THR 14 HG23 THR 14 11.580 -3.524 -6.997 91 H ASN 15 H ASN 15 11.358 -2.185 -5.576 92 HA ASN 15 HA ASN 15 12.147 -0.052 -5.438 93 HB2 ASN 15 HB2 ASN 15 9.746 0.974 -6.924 94 HB3 ASN 15 HB3 ASN 15 11.402 1.573 -6.948 95 HD21 ASN 15 HD21 ASN 15 13.023 -0.026 -7.826 96 HD22 ASN 15 HD22 ASN 15 12.550 -0.909 -9.233 97 H SER 16 H SER 16 9.977 -1.245 -3.670 98 HA SER 16 HA SER 16 8.946 1.261 -2.519 99 HB2 SER 16 HB2 SER 16 6.988 0.210 -2.232 100 HB3 SER 16 HB3 SER 16 7.651 -1.175 -3.101 101 HG SER 16 HG SER 16 7.118 -2.016 -1.182 102 HA PRO 17 HA PRO 17 11.487 0.819 1.034 103 HB2 PRO 17 HB2 PRO 17 9.897 1.929 2.934 104 HB3 PRO 17 HB3 PRO 17 10.711 2.881 1.687 105 HG2 PRO 17 HG2 PRO 17 7.876 1.926 1.792 106 HG3 PRO 17 HG3 PRO 17 8.505 3.509 1.302 107 HD2 PRO 17 HD2 PRO 17 7.767 1.618 -0.489 108 HD3 PRO 17 HD3 PRO 17 9.081 2.769 -0.804 109 H CYS 18 H CYS 18 11.923 -0.727 2.499 110 HA CYS 18 HA CYS 18 9.685 -2.373 3.483 111 HB2 CYS 18 HB2 CYS 18 11.364 -4.279 3.498 112 HB3 CYS 18 HB3 CYS 18 10.826 -3.738 1.911 113 H GLN 19 H GLN 19 10.318 -3.654 5.474 114 HA GLN 19 HA GLN 19 11.476 -1.809 7.385 115 HB2 GLN 19 HB2 GLN 19 10.796 -3.692 9.010 116 HB3 GLN 19 HB3 GLN 19 9.521 -2.785 8.207 117 HG2 GLN 19 HG2 GLN 19 9.111 -4.554 6.677 118 HG3 GLN 19 HG3 GLN 19 10.552 -5.423 7.204 119 HE21 GLN 19 HE21 GLN 19 9.022 -7.191 7.485 120 HE22 GLN 19 HE22 GLN 19 8.134 -7.302 8.963 121 H ALA 20 H ALA 20 12.965 -2.677 9.085 122 HA ALA 20 HA ALA 20 15.320 -3.676 7.886 123 HB1 ALA 20 HB1 ALA 20 14.667 -2.418 10.273 124 HB2 ALA 20 HB2 ALA 20 15.289 -3.996 10.760 125 HB3 ALA 20 HB3 ALA 20 16.272 -2.932 9.754 126 H SER 21 H SER 21 12.688 -5.203 9.602 127 HA SER 21 HA SER 21 14.022 -7.681 10.075 128 HB2 SER 21 HB2 SER 21 11.525 -8.460 10.311 129 HB3 SER 21 HB3 SER 21 12.225 -7.379 11.515 130 HG SER 21 HG SER 21 10.480 -6.270 11.016 131 H ASN 22 H ASN 22 12.267 -6.306 7.416 132 HA ASN 22 HA ASN 22 11.714 -8.760 6.068 133 HB2 ASN 22 HB2 ASN 22 11.440 -5.876 5.492 134 HB3 ASN 22 HB3 ASN 22 11.669 -6.905 4.081 135 HD21 ASN 22 HD21 ASN 22 9.338 -5.383 4.868 136 HD22 ASN 22 HD22 ASN 22 8.045 -6.518 5.032 137 H GLY 23 H GLY 23 14.509 -6.840 6.452 138 HA2 GLY 23 HA2 GLY 23 15.846 -7.294 4.024 139 HA3 GLY 23 HA3 GLY 23 16.622 -6.971 5.568 140 H ASP 24 H ASP 24 15.025 -9.483 6.499 141 HA ASP 24 HA ASP 24 16.993 -11.425 5.476 142 HB2 ASP 24 HB2 ASP 24 17.100 -10.716 7.949 143 HB3 ASP 24 HB3 ASP 24 15.620 -11.650 8.147 144 H ARG 25 H ARG 25 14.484 -10.877 4.225 145 HA ARG 25 HA ARG 25 13.341 -13.556 4.352 146 HB2 ARG 25 HB2 ARG 25 11.480 -11.196 4.346 147 HB3 ARG 25 HB3 ARG 25 11.118 -12.881 4.693 148 HG2 ARG 25 HG2 ARG 25 12.507 -12.660 6.765 149 HG3 ARG 25 HG3 ARG 25 12.594 -10.928 6.437 150 HD2 ARG 25 HD2 ARG 25 10.566 -10.598 7.289 151 HD3 ARG 25 HD3 ARG 25 9.875 -11.861 6.271 152 HE ARG 25 HE ARG 25 11.301 -12.941 8.491 153 HH11 ARG 25 HH11 ARG 25 8.286 -11.484 7.539 154 HH12 ARG 25 HH12 ARG 25 7.373 -12.234 8.806 155 HH21 ARG 25 HH21 ARG 25 10.110 -13.934 10.164 156 HH22 ARG 25 HH22 ARG 25 8.412 -13.627 10.299 157 H HIS 26 H HIS 26 11.746 -13.890 2.531 158 HA HIS 26 HA HIS 26 12.487 -12.268 0.187 159 HB2 HIS 26 HB2 HIS 26 12.294 -15.269 0.421 160 HB3 HIS 26 HB3 HIS 26 12.260 -14.438 -1.131 161 HD1 HIS 26 HD1 HIS 26 14.518 -16.405 -0.489 162 HD2 HIS 26 HD2 HIS 26 14.740 -12.315 0.203 163 HE1 HIS 26 HE1 HIS 26 16.973 -15.864 -0.441 164 H PHE 27 H PHE 27 10.884 -11.824 -1.285 165 HA PHE 27 HA PHE 27 8.210 -12.910 -0.746 166 HB2 PHE 27 HB2 PHE 27 9.005 -10.014 -0.920 167 HB3 PHE 27 HB3 PHE 27 7.364 -10.531 -1.295 168 HD1 PHE 27 HD1 PHE 27 5.815 -10.514 0.396 169 HD2 PHE 27 HD2 PHE 27 9.935 -10.948 1.375 170 HE1 PHE 27 HE1 PHE 27 5.249 -10.456 2.790 171 HE2 PHE 27 HE2 PHE 27 9.375 -10.891 3.770 172 HZ PHE 27 HZ PHE 27 7.030 -10.645 4.480 173 H CYS 28 H CYS 28 6.885 -13.145 -2.527 174 HA CYS 28 HA CYS 28 8.255 -13.073 -5.094 175 HB2 CYS 28 HB2 CYS 28 5.710 -14.346 -4.115 176 HB3 CYS 28 HB3 CYS 28 6.073 -14.240 -5.834 177 H GLY 29 H GLY 29 8.015 -11.458 -6.484 178 HA2 GLY 29 HA2 GLY 29 6.631 -9.144 -6.126 179 HA3 GLY 29 HA3 GLY 29 7.004 -9.789 -7.717 180 H CYS 30 H CYS 30 4.711 -8.238 -7.044 181 HA CYS 30 HA CYS 30 2.401 -9.733 -6.568 182 HB2 CYS 30 HB2 CYS 30 3.006 -7.066 -7.159 183 HB3 CYS 30 HB3 CYS 30 1.926 -7.580 -8.452 184 H ASP 31 H ASP 31 4.417 -9.578 -9.337 185 HA ASP 31 HA ASP 31 2.392 -10.552 -11.168 186 HB2 ASP 31 HB2 ASP 31 5.354 -10.045 -11.485 187 HB3 ASP 31 HB3 ASP 31 4.330 -10.668 -12.776 188 H ARG 32 H ARG 32 4.400 -11.890 -8.846 189 HA ARG 32 HA ARG 32 5.008 -14.014 -8.304 190 HB2 ARG 32 HB2 ARG 32 2.886 -14.845 -10.289 191 HB3 ARG 32 HB3 ARG 32 3.526 -15.807 -8.963 192 HG2 ARG 32 HG2 ARG 32 2.063 -14.950 -7.537 193 HG3 ARG 32 HG3 ARG 32 2.480 -13.300 -8.003 194 HD2 ARG 32 HD2 ARG 32 0.315 -13.308 -8.690 195 HD3 ARG 32 HD3 ARG 32 1.056 -13.970 -10.147 196 HE ARG 32 HE ARG 32 0.337 -16.028 -8.323 197 HH11 ARG 32 HH11 ARG 32 -0.969 -13.826 -10.682 198 HH12 ARG 32 HH12 ARG 32 -2.319 -14.839 -11.072 199 HH21 ARG 32 HH21 ARG 32 -1.436 -17.371 -8.828 200 HH22 ARG 32 HH22 ARG 32 -2.585 -16.855 -10.016 201 H THR 33 H THR 33 6.050 -12.628 -10.827 202 HA THR 33 HA THR 33 7.026 -15.000 -12.263 203 HB THR 33 HB THR 33 7.827 -13.305 -13.969 204 HG1 THR 33 HG1 THR 33 7.555 -11.521 -12.357 205 HG21 THR 33 HG21 THR 33 4.874 -13.531 -13.380 206 HG22 THR 33 HG22 THR 33 5.841 -14.597 -14.400 207 HG23 THR 33 HG23 THR 33 5.544 -12.931 -14.897 208 H GLY 34 H GLY 34 7.959 -12.610 -10.028 209 HA2 GLY 34 HA2 GLY 34 10.709 -13.590 -10.124 210 HA3 GLY 34 HA3 GLY 34 10.477 -11.863 -10.355 211 H ILE 35 H ILE 35 11.943 -13.124 -8.239 212 HA ILE 35 HA ILE 35 10.254 -12.512 -5.907 213 HB ILE 35 HB ILE 35 12.822 -14.099 -6.031 214 HG12 ILE 35 HG12 ILE 35 10.123 -15.165 -5.255 215 HG13 ILE 35 HG13 ILE 35 10.585 -15.064 -6.951 216 HG21 ILE 35 HG21 ILE 35 12.402 -14.613 -3.683 217 HG22 ILE 35 HG22 ILE 35 12.589 -12.877 -3.929 218 HG23 ILE 35 HG23 ILE 35 10.982 -13.567 -3.702 219 HD11 ILE 35 HD11 ILE 35 11.229 -17.193 -6.473 220 HD12 ILE 35 HD12 ILE 35 12.721 -16.332 -6.093 221 HD13 ILE 35 HD13 ILE 35 11.628 -16.816 -4.797 222 H VAL 36 H VAL 36 10.760 -10.869 -4.578 223 HA VAL 36 HA VAL 36 13.297 -9.447 -5.067 224 HB VAL 36 HB VAL 36 12.226 -7.350 -4.641 225 HG11 VAL 36 HG11 VAL 36 11.544 -7.250 -6.751 226 HG12 VAL 36 HG12 VAL 36 11.555 -9.014 -6.807 227 HG13 VAL 36 HG13 VAL 36 10.082 -8.153 -6.360 228 HG21 VAL 36 HG21 VAL 36 10.156 -9.042 -3.479 229 HG22 VAL 36 HG22 VAL 36 10.570 -7.363 -3.136 230 HG23 VAL 36 HG23 VAL 36 9.512 -7.750 -4.493 231 H GLU 37 H GLU 37 14.425 -8.675 -3.308 232 HA GLU 37 HA GLU 37 13.402 -9.484 -0.665 233 HB2 GLU 37 HB2 GLU 37 15.207 -10.954 -1.233 234 HB3 GLU 37 HB3 GLU 37 16.215 -9.609 -1.749 235 HG2 GLU 37 HG2 GLU 37 16.422 -8.824 0.510 236 HG3 GLU 37 HG3 GLU 37 15.277 -10.039 1.077 237 H CYS 38 H CYS 38 13.859 -8.139 1.095 238 HA CYS 38 HA CYS 38 13.914 -5.367 0.520 239 HB2 CYS 38 HB2 CYS 38 12.732 -6.091 2.466 240 HB3 CYS 38 HB3 CYS 38 14.154 -6.912 3.102 241 H LYS 39 H LYS 39 15.731 -4.605 -0.426 242 HA LYS 39 HA LYS 39 18.240 -4.906 1.088 243 HB2 LYS 39 HB2 LYS 39 17.671 -5.489 -1.712 244 HB3 LYS 39 HB3 LYS 39 19.010 -4.365 -1.521 245 HG2 LYS 39 HG2 LYS 39 20.078 -5.974 0.029 246 HG3 LYS 39 HG3 LYS 39 18.774 -7.113 -0.314 247 HD2 LYS 39 HD2 LYS 39 20.614 -5.935 -2.395 248 HD3 LYS 39 HD3 LYS 39 20.826 -7.522 -1.652 249 HE2 LYS 39 HE2 LYS 39 18.510 -8.084 -2.471 250 HE3 LYS 39 HE3 LYS 39 18.558 -6.584 -3.397 251 HZ1 LYS 39 HZ1 LYS 39 19.977 -9.087 -3.841 252 HZ2 LYS 39 HZ2 LYS 39 20.840 -7.670 -4.169 253 HZ3 LYS 39 HZ3 LYS 39 19.375 -7.971 -4.960 254 H GLY 40 H GLY 40 19.449 -3.085 1.407 255 HA2 GLY 40 HA2 GLY 40 19.886 -0.841 1.610 256 HA3 GLY 40 HA3 GLY 40 19.330 -0.712 -0.052 257 H GLY 41 H GLY 41 17.094 -1.966 2.241 258 HA2 GLY 41 HA2 GLY 41 15.379 -0.926 3.442 259 HA3 GLY 41 HA3 GLY 41 15.940 0.631 2.850 260 H LYS 42 H LYS 42 15.746 -1.428 0.263 261 HA LYS 42 HA LYS 42 12.923 -0.831 -0.269 262 HB2 LYS 42 HB2 LYS 42 13.389 0.032 -2.454 263 HB3 LYS 42 HB3 LYS 42 14.383 0.921 -1.307 264 HG2 LYS 42 HG2 LYS 42 16.153 0.442 -2.540 265 HG3 LYS 42 HG3 LYS 42 15.930 -1.264 -2.144 266 HD2 LYS 42 HD2 LYS 42 16.014 -1.028 -4.536 267 HD3 LYS 42 HD3 LYS 42 14.365 -1.449 -4.065 268 HE2 LYS 42 HE2 LYS 42 14.139 0.260 -5.665 269 HE3 LYS 42 HE3 LYS 42 13.878 1.043 -4.107 270 HZ1 LYS 42 HZ1 LYS 42 16.624 1.101 -4.809 271 HZ2 LYS 42 HZ2 LYS 42 15.579 2.391 -4.482 272 HZ3 LYS 42 HZ3 LYS 42 15.692 1.772 -6.052 273 H TRP 43 H TRP 43 11.880 -2.267 -1.653 274 HA TRP 43 HA TRP 43 12.916 -4.914 -1.679 275 HB2 TRP 43 HB2 TRP 43 10.477 -3.647 -2.922 276 HB3 TRP 43 HB3 TRP 43 10.857 -5.354 -3.128 277 HD1 TRP 43 HD1 TRP 43 9.020 -3.083 -0.893 278 HE1 TRP 43 HE1 TRP 43 8.343 -4.287 1.279 279 HE3 TRP 43 HE3 TRP 43 11.957 -7.245 -1.324 280 HZ2 TRP 43 HZ2 TRP 43 8.971 -6.684 2.630 281 HZ3 TRP 43 HZ3 TRP 43 11.860 -8.946 0.452 282 HH2 TRP 43 HH2 TRP 43 10.398 -8.669 2.387 283 H THR 44 H THR 44 14.371 -5.699 -3.037 284 HA THR 44 HA THR 44 14.399 -4.697 -5.809 285 HB THR 44 HB THR 44 16.794 -5.461 -4.128 286 HG1 THR 44 HG1 THR 44 17.274 -3.149 -4.753 287 HG21 THR 44 HG21 THR 44 17.305 -6.166 -6.317 288 HG22 THR 44 HG22 THR 44 18.034 -4.566 -6.174 289 HG23 THR 44 HG23 THR 44 16.512 -4.767 -7.041 290 H GLU 45 H GLU 45 14.520 -6.187 -7.414 291 HA GLU 45 HA GLU 45 13.802 -8.852 -6.878 292 HB2 GLU 45 HB2 GLU 45 13.540 -7.406 -9.041 293 HB3 GLU 45 HB3 GLU 45 15.121 -8.058 -9.449 294 HG2 GLU 45 HG2 GLU 45 14.313 -10.265 -9.511 295 HG3 GLU 45 HG3 GLU 45 12.809 -9.819 -8.708 296 H ILE 46 H ILE 46 14.966 -10.597 -6.399 297 HA ILE 46 HA ILE 46 17.886 -10.472 -6.792 298 HB ILE 46 HB ILE 46 18.159 -11.881 -4.818 299 HG12 ILE 46 HG12 ILE 46 15.179 -11.550 -4.418 300 HG13 ILE 46 HG13 ILE 46 15.953 -13.025 -4.988 301 HG21 ILE 46 HG21 ILE 46 16.439 -9.740 -3.733 302 HG22 ILE 46 HG22 ILE 46 18.116 -10.144 -3.370 303 HG23 ILE 46 HG23 ILE 46 17.725 -9.236 -4.830 304 HD11 ILE 46 HD11 ILE 46 16.661 -13.598 -2.935 305 HD12 ILE 46 HD12 ILE 46 16.984 -11.931 -2.460 306 HD13 ILE 46 HD13 ILE 46 15.335 -12.554 -2.425 307 H GLN 47 H GLN 47 14.986 -12.173 -7.387 308 HA GLN 47 HA GLN 47 16.472 -14.217 -8.838 309 HB2 GLN 47 HB2 GLN 47 15.829 -14.996 -6.451 310 HB3 GLN 47 HB3 GLN 47 14.190 -15.078 -7.085 311 HG2 GLN 47 HG2 GLN 47 15.473 -16.458 -8.989 312 HG3 GLN 47 HG3 GLN 47 16.520 -16.803 -7.614 313 HE21 GLN 47 HE21 GLN 47 13.229 -16.996 -8.814 314 HE22 GLN 47 HE22 GLN 47 12.727 -18.285 -7.780 315 H ASP 48 H ASP 48 15.265 -15.243 -10.495 316 HA ASP 48 HA ASP 48 12.743 -13.872 -11.164 317 HB2 ASP 48 HB2 ASP 48 14.602 -13.176 -12.635 318 HB3 ASP 48 HB3 ASP 48 14.859 -14.859 -13.088 319 H CYS 49 H CYS 49 11.068 -15.200 -11.094 320 HA CYS 49 HA CYS 49 11.418 -18.059 -11.136 321 HB2 CYS 49 HB2 CYS 49 9.182 -16.175 -10.598 322 HB3 CYS 49 HB3 CYS 49 8.752 -17.795 -11.137 323 H GLY 50 H GLY 50 10.626 -15.594 -13.408 324 HA2 GLY 50 HA2 GLY 50 10.531 -15.809 -15.724 325 HA3 GLY 50 HA3 GLY 50 10.529 -17.556 -15.535 326 H GLY 51 H GLY 51 8.358 -18.096 -14.056 327 HA2 GLY 51 HA2 GLY 51 6.170 -17.082 -15.756 328 HA3 GLY 51 HA3 GLY 51 6.202 -18.672 -15.007 329 H ALA 52 H ALA 52 4.154 -16.591 -14.853 330 HA ALA 52 HA ALA 52 4.288 -15.427 -12.236 331 HB1 ALA 52 HB1 ALA 52 1.902 -15.733 -14.055 332 HB2 ALA 52 HB2 ALA 52 2.035 -14.657 -12.663 333 HB3 ALA 52 HB3 ALA 52 3.039 -14.385 -14.087 334 H SER 53 H SER 53 4.793 -17.536 -11.179 335 HA SER 53 HA SER 53 2.313 -18.726 -10.196 336 HB2 SER 53 HB2 SER 53 4.290 -20.105 -11.854 337 HB3 SER 53 HB3 SER 53 3.973 -20.931 -10.329 338 HG SER 53 HG SER 53 1.982 -20.076 -12.164 339 H CYS 54 H CYS 54 4.912 -17.088 -9.439 340 HA CYS 54 HA CYS 54 6.037 -18.609 -7.289 341 HB2 CYS 54 HB2 CYS 54 7.168 -16.729 -8.611 342 HB3 CYS 54 HB3 CYS 54 6.227 -15.619 -7.619 343 H ARG 55 H ARG 55 5.228 -18.882 -5.324 344 HA ARG 55 HA ARG 55 3.502 -16.810 -4.177 345 HB2 ARG 55 HB2 ARG 55 2.515 -19.226 -5.183 346 HB3 ARG 55 HB3 ARG 55 2.577 -19.454 -3.441 347 HG2 ARG 55 HG2 ARG 55 1.149 -17.251 -4.915 348 HG3 ARG 55 HG3 ARG 55 0.412 -18.621 -4.082 349 HD2 ARG 55 HD2 ARG 55 1.889 -17.602 -2.080 350 HD3 ARG 55 HD3 ARG 55 1.567 -16.130 -2.996 351 HE ARG 55 HE ARG 55 -0.578 -16.201 -2.236 352 HH11 ARG 55 HH11 ARG 55 0.791 -19.391 -1.980 353 HH12 ARG 55 HH12 ARG 55 -0.591 -20.062 -1.179 354 HH21 ARG 55 HH21 ARG 55 -2.404 -17.072 -1.181 355 HH22 ARG 55 HH22 ARG 55 -2.408 -18.742 -0.726 356 H GLY 56 H GLY 56 3.694 -16.544 -1.987 357 HA2 GLY 56 HA2 GLY 56 5.441 -18.440 -0.556 358 HA3 GLY 56 HA3 GLY 56 5.754 -16.712 -0.484 359 H VAL 57 H VAL 57 5.560 -17.148 1.863 360 HA VAL 57 HA VAL 57 2.741 -17.205 2.721 361 HB VAL 57 HB VAL 57 3.551 -17.943 4.925 362 HG11 VAL 57 HG11 VAL 57 4.119 -19.538 2.469 363 HG12 VAL 57 HG12 VAL 57 4.534 -20.204 4.050 364 HG13 VAL 57 HG13 VAL 57 2.865 -19.758 3.689 365 HG21 VAL 57 HG21 VAL 57 5.810 -18.494 5.355 366 HG22 VAL 57 HG22 VAL 57 6.258 -18.300 3.660 367 HG23 VAL 57 HG23 VAL 57 5.831 -16.888 4.627 368 H SER 58 H SER 58 2.307 -15.959 4.748 369 HA SER 58 HA SER 58 2.948 -13.257 4.402 370 HB2 SER 58 HB2 SER 58 0.940 -14.163 5.618 371 HB3 SER 58 HB3 SER 58 2.002 -14.538 6.975 372 HG SER 58 HG SER 58 2.073 -11.946 5.944 373 H GLN 59 H GLN 59 4.693 -15.776 5.909 374 HA GLN 59 HA GLN 59 6.343 -13.906 7.443 375 HB2 GLN 59 HB2 GLN 59 6.536 -16.918 7.387 376 HB3 GLN 59 HB3 GLN 59 7.256 -15.824 8.560 377 HG2 GLN 59 HG2 GLN 59 5.486 -16.378 9.807 378 HG3 GLN 59 HG3 GLN 59 4.649 -15.180 8.821 379 HE21 GLN 59 HE21 GLN 59 2.682 -15.943 8.487 380 HE22 GLN 59 HE22 GLN 59 2.296 -17.528 7.918 381 H GLY 60 H GLY 60 6.265 -14.581 4.390 382 HA2 GLY 60 HA2 GLY 60 8.066 -13.989 2.936 383 HA3 GLY 60 HA3 GLY 60 9.193 -14.613 4.132 384 H GLY 61 H GLY 61 10.267 -16.224 3.178 385 HA2 GLY 61 HA2 GLY 61 10.687 -18.182 2.056 386 HA3 GLY 61 HA3 GLY 61 9.130 -18.707 2.679 387 H ALA 62 H ALA 62 10.333 -16.462 0.179 388 HA ALA 62 HA ALA 62 8.065 -17.009 -1.511 389 HB1 ALA 62 HB1 ALA 62 9.774 -15.641 -3.107 390 HB2 ALA 62 HB2 ALA 62 8.645 -14.890 -1.980 391 HB3 ALA 62 HB3 ALA 62 10.327 -15.136 -1.510 392 H ARG 63 H ARG 63 7.902 -18.661 -2.866 393 HA ARG 63 HA ARG 63 10.331 -19.726 -4.121 394 HB2 ARG 63 HB2 ARG 63 9.578 -22.018 -3.766 395 HB3 ARG 63 HB3 ARG 63 9.773 -21.189 -2.227 396 HG2 ARG 63 HG2 ARG 63 7.081 -21.172 -3.471 397 HG3 ARG 63 HG3 ARG 63 7.661 -22.682 -2.764 398 HD2 ARG 63 HD2 ARG 63 7.505 -20.018 -1.357 399 HD3 ARG 63 HD3 ARG 63 6.376 -21.358 -1.153 400 HE ARG 63 HE ARG 63 9.083 -22.111 -0.621 401 HH11 ARG 63 HH11 ARG 63 6.260 -20.585 0.728 402 HH12 ARG 63 HH12 ARG 63 6.688 -20.946 2.368 403 HH21 ARG 63 HH21 ARG 63 9.658 -22.592 1.533 404 HH22 ARG 63 HH22 ARG 63 8.622 -22.087 2.824 405 H CYS 64 H CYS 64 9.985 -20.801 -6.130 406 HA CYS 64 HA CYS 64 7.939 -19.607 -7.710 407 HB2 CYS 64 HB2 CYS 64 9.943 -21.786 -8.321 408 HB3 CYS 64 HB3 CYS 64 8.853 -21.096 -9.519 Start of MODEL 10 1 H1 ASP 1 H ASP 1 2.051 -0.019 0.981 2 HA ASP 1 HA ASP 1 1.901 0.409 -1.922 3 HB2 ASP 1 HB2 ASP 1 4.492 0.445 -0.436 4 HB3 ASP 1 HB3 ASP 1 3.998 1.373 -1.849 5 H THR 2 H THR 2 1.611 -2.137 -0.178 6 HA THR 2 HA THR 2 3.793 -3.822 -0.848 7 HB THR 2 HB THR 2 1.755 -5.585 -0.495 8 HG1 THR 2 HG1 THR 2 0.603 -4.429 1.357 9 HG21 THR 2 HG21 THR 2 3.820 -4.370 1.134 10 HG22 THR 2 HG22 THR 2 3.256 -6.041 1.096 11 HG23 THR 2 HG23 THR 2 2.429 -4.853 2.103 12 H CYS 3 H CYS 3 0.860 -2.904 -2.492 13 HA CYS 3 HA CYS 3 1.793 -3.918 -4.977 14 HB2 CYS 3 HB2 CYS 3 0.942 -6.005 -3.784 15 HB3 CYS 3 HB3 CYS 3 -0.669 -5.308 -3.924 16 H GLY 4 H GLY 4 0.631 -1.517 -3.634 17 HA2 GLY 4 HA2 GLY 4 -0.753 0.229 -4.183 18 HA3 GLY 4 HA3 GLY 4 -0.795 -0.467 -5.796 19 H GLY 5 H GLY 5 -1.880 -2.506 -3.266 20 HA2 GLY 5 HA2 GLY 5 -4.185 -2.435 -2.384 21 HA3 GLY 5 HA3 GLY 5 -4.680 -1.883 -3.978 22 H GLY 6 H GLY 6 -4.866 -4.441 -2.042 23 HA2 GLY 6 HA2 GLY 6 -5.651 -6.569 -2.544 24 HA3 GLY 6 HA3 GLY 6 -5.351 -6.247 -4.245 25 H TYR 7 H TYR 7 -2.817 -5.707 -1.949 26 HA TYR 7 HA TYR 7 -1.041 -7.453 -3.281 27 HB2 TYR 7 HB2 TYR 7 0.572 -6.813 -1.673 28 HB3 TYR 7 HB3 TYR 7 -0.457 -5.401 -1.885 29 HD1 TYR 7 HD1 TYR 7 -2.359 -5.078 -0.170 30 HD2 TYR 7 HD2 TYR 7 0.954 -7.671 0.460 31 HE1 TYR 7 HE1 TYR 7 -2.778 -5.015 2.253 32 HE2 TYR 7 HE2 TYR 7 0.544 -7.616 2.884 33 HH TYR 7 HH TYR 7 -2.245 -6.637 4.256 34 H GLY 8 H GLY 8 -0.082 -9.398 -2.569 35 HA2 GLY 8 HA2 GLY 8 -1.929 -11.128 -1.162 36 HA3 GLY 8 HA3 GLY 8 -0.436 -11.614 -1.953 37 H VAL 9 H VAL 9 -0.491 -12.926 0.150 38 HA VAL 9 HA VAL 9 0.256 -11.521 2.548 39 HB VAL 9 HB VAL 9 0.672 -13.826 3.453 40 HG11 VAL 9 HG11 VAL 9 -1.613 -12.496 3.236 41 HG12 VAL 9 HG12 VAL 9 -2.038 -13.892 2.245 42 HG13 VAL 9 HG13 VAL 9 -1.537 -14.119 3.921 43 HG21 VAL 9 HG21 VAL 9 1.258 -14.856 1.277 44 HG22 VAL 9 HG22 VAL 9 0.015 -15.749 2.154 45 HG23 VAL 9 HG23 VAL 9 -0.433 -14.721 0.793 46 H ASP 10 H ASP 10 1.897 -13.265 -0.014 47 HA ASP 10 HA ASP 10 4.474 -12.596 1.251 48 HB2 ASP 10 HB2 ASP 10 3.992 -15.048 1.051 49 HB3 ASP 10 HB3 ASP 10 3.960 -14.849 -0.699 50 H GLN 11 H GLN 11 2.686 -11.095 -0.669 51 HA GLN 11 HA GLN 11 4.587 -10.821 -2.900 52 HB2 GLN 11 HB2 GLN 11 1.733 -9.842 -2.828 53 HB3 GLN 11 HB3 GLN 11 2.795 -9.938 -4.227 54 HG2 GLN 11 HG2 GLN 11 2.822 -12.498 -3.586 55 HG3 GLN 11 HG3 GLN 11 1.283 -12.078 -2.837 56 HE21 GLN 11 HE21 GLN 11 2.208 -13.623 -5.322 57 HE22 GLN 11 HE22 GLN 11 1.166 -13.034 -6.567 58 H ARG 12 H ARG 12 5.566 -8.906 -3.287 59 HA ARG 12 HA ARG 12 4.735 -6.578 -1.696 60 HB2 ARG 12 HB2 ARG 12 7.498 -7.749 -1.942 61 HB3 ARG 12 HB3 ARG 12 7.244 -6.065 -1.505 62 HG2 ARG 12 HG2 ARG 12 5.981 -8.327 0.012 63 HG3 ARG 12 HG3 ARG 12 7.586 -7.701 0.394 64 HD2 ARG 12 HD2 ARG 12 6.732 -5.575 0.955 65 HD3 ARG 12 HD3 ARG 12 5.168 -5.926 0.220 66 HE ARG 12 HE ARG 12 5.313 -7.774 2.164 67 HH11 ARG 12 HH11 ARG 12 5.850 -4.334 2.161 68 HH12 ARG 12 HH12 ARG 12 5.343 -4.121 3.804 69 HH21 ARG 12 HH21 ARG 12 4.643 -7.507 4.328 70 HH22 ARG 12 HH22 ARG 12 4.658 -5.927 5.036 71 H ARG 13 H ARG 13 5.606 -4.521 -2.536 72 HA ARG 13 HA ARG 13 5.524 -4.538 -5.450 73 HB2 ARG 13 HB2 ARG 13 4.104 -2.998 -3.989 74 HB3 ARG 13 HB3 ARG 13 5.587 -2.112 -3.663 75 HG2 ARG 13 HG2 ARG 13 4.861 -0.890 -5.415 76 HG3 ARG 13 HG3 ARG 13 5.707 -2.143 -6.325 77 HD2 ARG 13 HD2 ARG 13 3.295 -3.308 -6.044 78 HD3 ARG 13 HD3 ARG 13 2.817 -1.611 -6.054 79 HE ARG 13 HE ARG 13 4.519 -1.882 -8.183 80 HH11 ARG 13 HH11 ARG 13 1.543 -3.375 -7.166 81 HH12 ARG 13 HH12 ARG 13 1.000 -3.695 -8.780 82 HH21 ARG 13 HH21 ARG 13 3.814 -2.297 -10.312 83 HH22 ARG 13 HH22 ARG 13 2.293 -3.082 -10.569 84 H THR 14 H THR 14 7.179 -3.956 -6.751 85 HA THR 14 HA THR 14 9.822 -3.969 -5.689 86 HB THR 14 HB THR 14 9.065 -3.142 -8.490 87 HG1 THR 14 HG1 THR 14 9.481 -5.790 -7.516 88 HG21 THR 14 HG21 THR 14 11.354 -4.795 -8.377 89 HG22 THR 14 HG22 THR 14 11.533 -3.580 -7.111 90 HG23 THR 14 HG23 THR 14 11.272 -3.081 -8.782 91 H ASN 15 H ASN 15 11.353 -2.321 -5.632 92 HA ASN 15 HA ASN 15 12.166 -0.209 -5.396 93 HB2 ASN 15 HB2 ASN 15 9.811 0.858 -6.935 94 HB3 ASN 15 HB3 ASN 15 11.455 1.485 -6.865 95 HD21 ASN 15 HD21 ASN 15 12.908 -0.802 -7.321 96 HD22 ASN 15 HD22 ASN 15 12.605 -1.362 -8.927 97 H SER 16 H SER 16 9.986 -1.397 -3.673 98 HA SER 16 HA SER 16 8.915 1.091 -2.523 99 HB2 SER 16 HB2 SER 16 7.955 -1.764 -2.411 100 HB3 SER 16 HB3 SER 16 7.375 -0.546 -1.275 101 HG SER 16 HG SER 16 6.913 0.702 -3.303 102 HA PRO 17 HA PRO 17 11.460 0.699 1.034 103 HB2 PRO 17 HB2 PRO 17 9.855 1.813 2.920 104 HB3 PRO 17 HB3 PRO 17 10.667 2.760 1.667 105 HG2 PRO 17 HG2 PRO 17 7.838 1.786 1.771 106 HG3 PRO 17 HG3 PRO 17 8.458 3.370 1.270 107 HD2 PRO 17 HD2 PRO 17 7.739 1.458 -0.507 108 HD3 PRO 17 HD3 PRO 17 9.045 2.616 -0.828 109 H CYS 18 H CYS 18 11.904 -0.841 2.501 110 HA CYS 18 HA CYS 18 9.675 -2.499 3.486 111 HB2 CYS 18 HB2 CYS 18 11.337 -4.394 3.522 112 HB3 CYS 18 HB3 CYS 18 10.885 -3.833 1.915 113 H GLN 19 H GLN 19 10.325 -3.768 5.491 114 HA GLN 19 HA GLN 19 11.353 -1.885 7.424 115 HB2 GLN 19 HB2 GLN 19 9.740 -4.322 7.466 116 HB3 GLN 19 HB3 GLN 19 10.904 -4.247 8.782 117 HG2 GLN 19 HG2 GLN 19 8.914 -2.086 8.129 118 HG3 GLN 19 HG3 GLN 19 8.694 -3.323 9.365 119 HE21 GLN 19 HE21 GLN 19 8.453 -1.039 10.424 120 HE22 GLN 19 HE22 GLN 19 9.877 -0.468 11.219 121 H ALA 20 H ALA 20 12.883 -2.680 9.140 122 HA ALA 20 HA ALA 20 15.331 -3.437 7.950 123 HB1 ALA 20 HB1 ALA 20 14.609 -2.234 10.295 124 HB2 ALA 20 HB2 ALA 20 15.176 -3.811 10.845 125 HB3 ALA 20 HB3 ALA 20 16.237 -2.777 9.887 126 H SER 21 H SER 21 12.939 -5.211 9.847 127 HA SER 21 HA SER 21 14.484 -7.593 10.071 128 HB2 SER 21 HB2 SER 21 11.733 -8.242 10.255 129 HB3 SER 21 HB3 SER 21 12.880 -8.016 11.575 130 HG SER 21 HG SER 21 12.305 -5.872 11.689 131 H ASN 22 H ASN 22 12.407 -6.268 7.641 132 HA ASN 22 HA ASN 22 11.725 -8.645 6.283 133 HB2 ASN 22 HB2 ASN 22 11.864 -5.752 5.478 134 HB3 ASN 22 HB3 ASN 22 11.503 -6.998 4.287 135 HD21 ASN 22 HD21 ASN 22 10.555 -6.739 7.682 136 HD22 ASN 22 HD22 ASN 22 8.852 -6.732 7.387 137 H GLY 23 H GLY 23 14.663 -6.903 6.518 138 HA2 GLY 23 HA2 GLY 23 15.852 -7.510 4.042 139 HA3 GLY 23 HA3 GLY 23 16.718 -7.178 5.535 140 H ASP 24 H ASP 24 15.025 -9.561 6.629 141 HA ASP 24 HA ASP 24 16.889 -11.626 5.662 142 HB2 ASP 24 HB2 ASP 24 15.502 -11.346 8.335 143 HB3 ASP 24 HB3 ASP 24 16.452 -12.750 7.856 144 H ARG 25 H ARG 25 14.358 -10.902 4.408 145 HA ARG 25 HA ARG 25 13.149 -13.557 4.432 146 HB2 ARG 25 HB2 ARG 25 11.334 -11.167 4.484 147 HB3 ARG 25 HB3 ARG 25 10.957 -12.850 4.829 148 HG2 ARG 25 HG2 ARG 25 12.299 -12.682 6.901 149 HG3 ARG 25 HG3 ARG 25 12.536 -10.966 6.566 150 HD2 ARG 25 HD2 ARG 25 10.533 -10.453 7.390 151 HD3 ARG 25 HD3 ARG 25 9.746 -11.682 6.400 152 HE ARG 25 HE ARG 25 11.023 -12.952 8.541 153 HH11 ARG 25 HH11 ARG 25 8.364 -10.787 7.942 154 HH12 ARG 25 HH12 ARG 25 7.453 -11.316 9.318 155 HH21 ARG 25 HH21 ARG 25 9.834 -13.656 10.356 156 HH22 ARG 25 HH22 ARG 25 8.291 -12.947 10.691 157 H HIS 26 H HIS 26 11.912 -14.029 2.533 158 HA HIS 26 HA HIS 26 12.537 -12.240 0.276 159 HB2 HIS 26 HB2 HIS 26 12.435 -15.249 0.430 160 HB3 HIS 26 HB3 HIS 26 12.369 -14.389 -1.105 161 HD1 HIS 26 HD1 HIS 26 14.683 -16.144 -0.955 162 HD2 HIS 26 HD2 HIS 26 14.787 -12.346 0.727 163 HE1 HIS 26 HE1 HIS 26 17.121 -15.552 -0.781 164 H PHE 27 H PHE 27 10.954 -11.795 -1.219 165 HA PHE 27 HA PHE 27 8.291 -12.939 -0.740 166 HB2 PHE 27 HB2 PHE 27 9.065 -10.041 -0.854 167 HB3 PHE 27 HB3 PHE 27 7.452 -10.547 -1.344 168 HD1 PHE 27 HD1 PHE 27 9.840 -11.050 1.479 169 HD2 PHE 27 HD2 PHE 27 5.800 -10.527 0.245 170 HE1 PHE 27 HE1 PHE 27 9.126 -11.035 3.833 171 HE2 PHE 27 HE2 PHE 27 5.080 -10.510 2.598 172 HZ PHE 27 HZ PHE 27 6.744 -10.763 4.395 173 H CYS 28 H CYS 28 6.968 -13.136 -2.544 174 HA CYS 28 HA CYS 28 8.389 -13.036 -5.093 175 HB2 CYS 28 HB2 CYS 28 5.949 -14.468 -4.099 176 HB3 CYS 28 HB3 CYS 28 6.195 -14.257 -5.829 177 H GLY 29 H GLY 29 8.057 -11.477 -6.532 178 HA2 GLY 29 HA2 GLY 29 6.619 -9.195 -6.180 179 HA3 GLY 29 HA3 GLY 29 6.974 -9.857 -7.769 180 H CYS 30 H CYS 30 4.652 -8.357 -7.047 181 HA CYS 30 HA CYS 30 2.397 -9.905 -6.502 182 HB2 CYS 30 HB2 CYS 30 2.903 -7.238 -7.106 183 HB3 CYS 30 HB3 CYS 30 1.862 -7.780 -8.419 184 H ASP 31 H ASP 31 4.259 -9.565 -9.407 185 HA ASP 31 HA ASP 31 2.242 -10.697 -11.130 186 HB2 ASP 31 HB2 ASP 31 5.136 -9.951 -11.513 187 HB3 ASP 31 HB3 ASP 31 4.224 -10.797 -12.761 188 H ARG 32 H ARG 32 4.359 -11.940 -8.864 189 HA ARG 32 HA ARG 32 5.078 -14.033 -8.335 190 HB2 ARG 32 HB2 ARG 32 3.010 -15.054 -10.277 191 HB3 ARG 32 HB3 ARG 32 3.636 -15.856 -8.842 192 HG2 ARG 32 HG2 ARG 32 1.930 -15.053 -7.690 193 HG3 ARG 32 HG3 ARG 32 2.533 -13.420 -7.976 194 HD2 ARG 32 HD2 ARG 32 0.280 -13.482 -8.736 195 HD3 ARG 32 HD3 ARG 32 1.312 -13.455 -10.165 196 HE ARG 32 HE ARG 32 0.600 -16.108 -9.355 197 HH11 ARG 32 HH11 ARG 32 -0.456 -13.306 -11.131 198 HH12 ARG 32 HH12 ARG 32 -1.518 -14.201 -12.167 199 HH21 ARG 32 HH21 ARG 32 -0.795 -17.297 -10.713 200 HH22 ARG 32 HH22 ARG 32 -1.711 -16.471 -11.927 201 H THR 33 H THR 33 6.003 -12.611 -10.878 202 HA THR 33 HA THR 33 7.027 -14.940 -12.350 203 HB THR 33 HB THR 33 7.745 -13.196 -14.051 204 HG1 THR 33 HG1 THR 33 7.588 -11.356 -12.710 205 HG21 THR 33 HG21 THR 33 5.464 -12.939 -14.972 206 HG22 THR 33 HG22 THR 33 4.803 -13.502 -13.437 207 HG23 THR 33 HG23 THR 33 5.789 -14.582 -14.423 208 H GLY 34 H GLY 34 7.933 -12.552 -10.106 209 HA2 GLY 34 HA2 GLY 34 10.722 -13.415 -10.319 210 HA3 GLY 34 HA3 GLY 34 10.396 -11.692 -10.438 211 H ILE 35 H ILE 35 11.991 -13.006 -8.446 212 HA ILE 35 HA ILE 35 10.352 -12.608 -6.033 213 HB ILE 35 HB ILE 35 13.019 -14.010 -6.227 214 HG12 ILE 35 HG12 ILE 35 10.230 -15.174 -6.067 215 HG13 ILE 35 HG13 ILE 35 11.291 -15.234 -7.470 216 HG21 ILE 35 HG21 ILE 35 10.985 -13.949 -4.002 217 HG22 ILE 35 HG22 ILE 35 12.531 -14.795 -3.987 218 HG23 ILE 35 HG23 ILE 35 12.492 -13.033 -4.032 219 HD11 ILE 35 HD11 ILE 35 11.177 -16.963 -5.169 220 HD12 ILE 35 HD12 ILE 35 11.993 -17.192 -6.716 221 HD13 ILE 35 HD13 ILE 35 12.800 -16.318 -5.414 222 H VAL 36 H VAL 36 10.787 -10.971 -4.690 223 HA VAL 36 HA VAL 36 13.296 -9.476 -5.094 224 HB VAL 36 HB VAL 36 12.175 -7.412 -4.663 225 HG11 VAL 36 HG11 VAL 36 11.566 -9.057 -6.863 226 HG12 VAL 36 HG12 VAL 36 10.075 -8.219 -6.430 227 HG13 VAL 36 HG13 VAL 36 11.535 -7.296 -6.785 228 HG21 VAL 36 HG21 VAL 36 9.469 -7.858 -4.566 229 HG22 VAL 36 HG22 VAL 36 10.113 -9.161 -3.567 230 HG23 VAL 36 HG23 VAL 36 10.498 -7.484 -3.183 231 H GLU 37 H GLU 37 14.362 -8.718 -3.290 232 HA GLU 37 HA GLU 37 13.269 -9.562 -0.686 233 HB2 GLU 37 HB2 GLU 37 15.060 -11.066 -1.250 234 HB3 GLU 37 HB3 GLU 37 16.115 -9.728 -1.680 235 HG2 GLU 37 HG2 GLU 37 16.113 -8.989 0.658 236 HG3 GLU 37 HG3 GLU 37 15.091 -10.362 1.078 237 H CYS 38 H CYS 38 13.790 -8.268 1.118 238 HA CYS 38 HA CYS 38 13.866 -5.487 0.589 239 HB2 CYS 38 HB2 CYS 38 12.705 -6.249 2.540 240 HB3 CYS 38 HB3 CYS 38 14.139 -7.070 3.147 241 H LYS 39 H LYS 39 15.675 -4.714 -0.358 242 HA LYS 39 HA LYS 39 18.199 -5.059 1.119 243 HB2 LYS 39 HB2 LYS 39 17.598 -5.601 -1.690 244 HB3 LYS 39 HB3 LYS 39 18.970 -4.520 -1.481 245 HG2 LYS 39 HG2 LYS 39 19.982 -6.188 0.052 246 HG3 LYS 39 HG3 LYS 39 18.650 -7.282 -0.327 247 HD2 LYS 39 HD2 LYS 39 20.577 -6.122 -2.339 248 HD3 LYS 39 HD3 LYS 39 20.668 -7.751 -1.664 249 HE2 LYS 39 HE2 LYS 39 18.279 -8.040 -2.540 250 HE3 LYS 39 HE3 LYS 39 18.583 -6.584 -3.485 251 HZ1 LYS 39 HZ1 LYS 39 19.175 -8.273 -4.919 252 HZ2 LYS 39 HZ2 LYS 39 19.859 -9.230 -3.705 253 HZ3 LYS 39 HZ3 LYS 39 20.670 -7.850 -4.251 254 H GLY 40 H GLY 40 19.403 -3.247 1.466 255 HA2 GLY 40 HA2 GLY 40 19.856 -1.008 1.680 256 HA3 GLY 40 HA3 GLY 40 19.319 -0.870 0.012 257 H GLY 41 H GLY 41 17.053 -2.108 2.287 258 HA2 GLY 41 HA2 GLY 41 15.327 -1.064 3.463 259 HA3 GLY 41 HA3 GLY 41 15.915 0.493 2.896 260 H LYS 42 H LYS 42 15.735 -1.535 0.284 261 HA LYS 42 HA LYS 42 12.928 -0.895 -0.283 262 HB2 LYS 42 HB2 LYS 42 13.428 -0.002 -2.437 263 HB3 LYS 42 HB3 LYS 42 14.456 0.837 -1.282 264 HG2 LYS 42 HG2 LYS 42 16.179 0.338 -2.579 265 HG3 LYS 42 HG3 LYS 42 15.958 -1.353 -2.122 266 HD2 LYS 42 HD2 LYS 42 15.993 -1.220 -4.515 267 HD3 LYS 42 HD3 LYS 42 14.341 -1.580 -4.007 268 HE2 LYS 42 HE2 LYS 42 14.130 0.071 -5.666 269 HE3 LYS 42 HE3 LYS 42 13.921 0.925 -4.138 270 HZ1 LYS 42 HZ1 LYS 42 15.715 2.159 -4.520 271 HZ2 LYS 42 HZ2 LYS 42 15.653 1.608 -6.118 272 HZ3 LYS 42 HZ3 LYS 42 16.654 0.834 -4.995 273 H TRP 43 H TRP 43 11.867 -2.339 -1.617 274 HA TRP 43 HA TRP 43 12.886 -4.985 -1.681 275 HB2 TRP 43 HB2 TRP 43 10.459 -3.699 -2.932 276 HB3 TRP 43 HB3 TRP 43 10.823 -5.413 -3.112 277 HD1 TRP 43 HD1 TRP 43 9.019 -3.080 -0.905 278 HE1 TRP 43 HE1 TRP 43 8.318 -4.250 1.278 279 HE3 TRP 43 HE3 TRP 43 11.876 -7.302 -1.293 280 HZ2 TRP 43 HZ2 TRP 43 8.899 -6.645 2.654 281 HZ3 TRP 43 HZ3 TRP 43 11.746 -8.983 0.500 282 HH2 TRP 43 HH2 TRP 43 10.288 -8.659 2.431 283 H THR 44 H THR 44 14.343 -5.761 -3.042 284 HA THR 44 HA THR 44 14.369 -4.747 -5.810 285 HB THR 44 HB THR 44 16.759 -5.521 -4.126 286 HG1 THR 44 HG1 THR 44 16.226 -3.023 -5.366 287 HG21 THR 44 HG21 THR 44 17.222 -6.256 -6.335 288 HG22 THR 44 HG22 THR 44 18.035 -4.702 -6.153 289 HG23 THR 44 HG23 THR 44 16.515 -4.804 -7.041 290 H GLU 45 H GLU 45 14.550 -6.228 -7.433 291 HA GLU 45 HA GLU 45 13.797 -8.896 -6.909 292 HB2 GLU 45 HB2 GLU 45 13.526 -7.446 -9.061 293 HB3 GLU 45 HB3 GLU 45 15.115 -8.074 -9.474 294 HG2 GLU 45 HG2 GLU 45 14.090 -10.386 -9.041 295 HG3 GLU 45 HG3 GLU 45 12.538 -9.557 -9.145 296 H ILE 46 H ILE 46 14.950 -10.679 -6.519 297 HA ILE 46 HA ILE 46 17.877 -10.526 -6.837 298 HB ILE 46 HB ILE 46 18.111 -12.027 -4.931 299 HG12 ILE 46 HG12 ILE 46 15.119 -11.744 -4.584 300 HG13 ILE 46 HG13 ILE 46 15.915 -13.177 -5.225 301 HG21 ILE 46 HG21 ILE 46 17.452 -9.354 -4.847 302 HG22 ILE 46 HG22 ILE 46 16.398 -10.072 -3.629 303 HG23 ILE 46 HG23 ILE 46 18.145 -10.294 -3.525 304 HD11 ILE 46 HD11 ILE 46 16.429 -13.916 -3.194 305 HD12 ILE 46 HD12 ILE 46 17.003 -12.333 -2.668 306 HD13 ILE 46 HD13 ILE 46 15.283 -12.715 -2.600 307 H GLN 47 H GLN 47 14.991 -12.251 -7.520 308 HA GLN 47 HA GLN 47 16.516 -14.182 -9.084 309 HB2 GLN 47 HB2 GLN 47 15.751 -15.008 -6.671 310 HB3 GLN 47 HB3 GLN 47 14.236 -15.286 -7.519 311 HG2 GLN 47 HG2 GLN 47 16.785 -16.325 -8.666 312 HG3 GLN 47 HG3 GLN 47 16.003 -17.180 -7.337 313 HE21 GLN 47 HE21 GLN 47 13.633 -17.605 -7.682 314 HE22 GLN 47 HE22 GLN 47 13.154 -18.117 -9.261 315 H ASP 48 H ASP 48 15.301 -15.181 -10.768 316 HA ASP 48 HA ASP 48 12.792 -13.767 -11.399 317 HB2 ASP 48 HB2 ASP 48 14.613 -13.096 -12.895 318 HB3 ASP 48 HB3 ASP 48 14.905 -14.783 -13.312 319 H CYS 49 H CYS 49 11.091 -15.059 -11.275 320 HA CYS 49 HA CYS 49 11.354 -17.920 -11.325 321 HB2 CYS 49 HB2 CYS 49 9.187 -15.966 -10.782 322 HB3 CYS 49 HB3 CYS 49 8.687 -17.555 -11.353 323 H GLY 50 H GLY 50 10.460 -15.428 -13.579 324 HA2 GLY 50 HA2 GLY 50 10.392 -15.644 -15.904 325 HA3 GLY 50 HA3 GLY 50 10.406 -17.392 -15.719 326 H GLY 51 H GLY 51 8.236 -17.867 -14.141 327 HA2 GLY 51 HA2 GLY 51 6.020 -16.831 -15.801 328 HA3 GLY 51 HA3 GLY 51 6.086 -18.476 -15.186 329 H ALA 52 H ALA 52 4.015 -16.445 -14.826 330 HA ALA 52 HA ALA 52 4.168 -15.457 -12.150 331 HB1 ALA 52 HB1 ALA 52 1.905 -14.733 -12.460 332 HB2 ALA 52 HB2 ALA 52 2.796 -14.422 -13.950 333 HB3 ALA 52 HB3 ALA 52 1.703 -15.801 -13.849 334 H SER 53 H SER 53 4.798 -17.545 -11.171 335 HA SER 53 HA SER 53 2.415 -18.955 -10.238 336 HB2 SER 53 HB2 SER 53 4.439 -20.100 -11.980 337 HB3 SER 53 HB3 SER 53 4.319 -20.985 -10.459 338 HG SER 53 HG SER 53 2.806 -21.872 -11.776 339 H CYS 54 H CYS 54 4.938 -17.177 -9.441 340 HA CYS 54 HA CYS 54 6.110 -18.686 -7.304 341 HB2 CYS 54 HB2 CYS 54 7.102 -16.680 -8.637 342 HB3 CYS 54 HB3 CYS 54 6.211 -15.690 -7.487 343 H ARG 55 H ARG 55 5.307 -19.005 -5.343 344 HA ARG 55 HA ARG 55 3.504 -17.010 -4.181 345 HB2 ARG 55 HB2 ARG 55 2.618 -19.470 -5.216 346 HB3 ARG 55 HB3 ARG 55 2.629 -19.664 -3.469 347 HG2 ARG 55 HG2 ARG 55 1.160 -17.581 -5.066 348 HG3 ARG 55 HG3 ARG 55 0.468 -18.905 -4.126 349 HD2 ARG 55 HD2 ARG 55 1.555 -17.864 -2.097 350 HD3 ARG 55 HD3 ARG 55 1.904 -16.463 -3.110 351 HE ARG 55 HE ARG 55 -0.866 -17.267 -3.093 352 HH11 ARG 55 HH11 ARG 55 1.586 -15.312 -1.580 353 HH12 ARG 55 HH12 ARG 55 0.455 -14.190 -0.899 354 HH21 ARG 55 HH21 ARG 55 -2.364 -15.796 -2.202 355 HH22 ARG 55 HH22 ARG 55 -1.791 -14.466 -1.253 356 H GLY 56 H GLY 56 3.731 -16.728 -2.010 357 HA2 GLY 56 HA2 GLY 56 5.469 -18.627 -0.572 358 HA3 GLY 56 HA3 GLY 56 5.792 -16.901 -0.507 359 H VAL 57 H VAL 57 5.595 -17.309 1.840 360 HA VAL 57 HA VAL 57 2.777 -17.365 2.701 361 HB VAL 57 HB VAL 57 3.635 -18.038 4.933 362 HG11 VAL 57 HG11 VAL 57 2.918 -19.631 3.047 363 HG12 VAL 57 HG12 VAL 57 4.638 -19.994 2.895 364 HG13 VAL 57 HG13 VAL 57 3.801 -20.304 4.416 365 HG21 VAL 57 HG21 VAL 57 5.882 -18.635 5.302 366 HG22 VAL 57 HG22 VAL 57 6.269 -18.566 3.583 367 HG23 VAL 57 HG23 VAL 57 5.948 -17.079 4.475 368 H SER 58 H SER 58 2.383 -16.126 4.766 369 HA SER 58 HA SER 58 3.004 -13.414 4.375 370 HB2 SER 58 HB2 SER 58 0.996 -14.326 5.600 371 HB3 SER 58 HB3 SER 58 2.061 -14.662 6.964 372 HG SER 58 HG SER 58 0.866 -12.553 6.876 373 H GLN 59 H GLN 59 4.776 -15.915 5.851 374 HA GLN 59 HA GLN 59 6.390 -14.062 7.439 375 HB2 GLN 59 HB2 GLN 59 6.513 -17.077 7.257 376 HB3 GLN 59 HB3 GLN 59 7.443 -16.075 8.364 377 HG2 GLN 59 HG2 GLN 59 5.810 -16.203 9.842 378 HG3 GLN 59 HG3 GLN 59 4.724 -15.400 8.708 379 HE21 GLN 59 HE21 GLN 59 3.062 -16.509 7.921 380 HE22 GLN 59 HE22 GLN 59 2.816 -18.209 8.104 381 H GLY 60 H GLY 60 6.310 -14.698 4.349 382 HA2 GLY 60 HA2 GLY 60 8.001 -14.089 2.820 383 HA3 GLY 60 HA3 GLY 60 9.206 -14.429 4.054 384 H GLY 61 H GLY 61 10.503 -15.978 3.315 385 HA2 GLY 61 HA2 GLY 61 11.217 -17.932 2.339 386 HA3 GLY 61 HA3 GLY 61 9.754 -18.623 3.025 387 H ALA 62 H ALA 62 9.860 -16.099 0.573 388 HA ALA 62 HA ALA 62 7.946 -17.183 -1.083 389 HB1 ALA 62 HB1 ALA 62 9.892 -15.808 -2.680 390 HB2 ALA 62 HB2 ALA 62 8.279 -15.289 -2.190 391 HB3 ALA 62 HB3 ALA 62 9.663 -14.967 -1.146 392 H ARG 63 H ARG 63 7.881 -18.682 -2.666 393 HA ARG 63 HA ARG 63 10.403 -19.873 -3.579 394 HB2 ARG 63 HB2 ARG 63 9.252 -22.128 -3.462 395 HB3 ARG 63 HB3 ARG 63 9.707 -21.414 -1.920 396 HG2 ARG 63 HG2 ARG 63 6.968 -20.897 -2.942 397 HG3 ARG 63 HG3 ARG 63 7.338 -22.502 -2.308 398 HD2 ARG 63 HD2 ARG 63 8.332 -21.203 -0.298 399 HD3 ARG 63 HD3 ARG 63 7.368 -19.858 -0.906 400 HE ARG 63 HE ARG 63 5.499 -20.895 -0.104 401 HH11 ARG 63 HH11 ARG 63 8.070 -23.230 -0.330 402 HH12 ARG 63 HH12 ARG 63 7.173 -24.488 0.455 403 HH21 ARG 63 HH21 ARG 63 4.307 -22.542 0.931 404 HH22 ARG 63 HH22 ARG 63 5.032 -24.095 1.170 405 H CYS 64 H CYS 64 10.312 -20.872 -5.637 406 HA CYS 64 HA CYS 64 8.237 -19.751 -7.347 407 HB2 CYS 64 HB2 CYS 64 10.824 -19.744 -7.773 408 HB3 CYS 64 HB3 CYS 64 10.538 -21.376 -8.368 Start of MODEL 11 1 H1 ASP 1 H ASP 1 0.769 0.602 -0.079 2 HA ASP 1 HA ASP 1 1.948 0.446 -2.030 3 HB2 ASP 1 HB2 ASP 1 4.503 0.509 -0.491 4 HB3 ASP 1 HB3 ASP 1 4.026 1.433 -1.913 5 H THR 2 H THR 2 1.626 -2.066 -0.231 6 HA THR 2 HA THR 2 3.830 -3.753 -0.844 7 HB THR 2 HB THR 2 1.793 -5.514 -0.440 8 HG1 THR 2 HG1 THR 2 0.642 -4.338 1.381 9 HG21 THR 2 HG21 THR 2 3.938 -4.379 1.060 10 HG22 THR 2 HG22 THR 2 3.188 -5.965 1.235 11 HG23 THR 2 HG23 THR 2 2.549 -4.584 2.126 12 H CYS 3 H CYS 3 0.872 -2.919 -2.497 13 HA CYS 3 HA CYS 3 1.814 -4.004 -4.955 14 HB2 CYS 3 HB2 CYS 3 0.918 -6.031 -3.648 15 HB3 CYS 3 HB3 CYS 3 -0.678 -5.336 -3.912 16 H GLY 4 H GLY 4 0.657 -1.557 -3.683 17 HA2 GLY 4 HA2 GLY 4 -0.708 0.181 -4.299 18 HA3 GLY 4 HA3 GLY 4 -0.765 -0.575 -5.885 19 H GLY 5 H GLY 5 -1.852 -2.495 -3.258 20 HA2 GLY 5 HA2 GLY 5 -4.152 -2.372 -2.373 21 HA3 GLY 5 HA3 GLY 5 -4.651 -1.883 -3.986 22 H GLY 6 H GLY 6 -4.863 -4.351 -1.949 23 HA2 GLY 6 HA2 GLY 6 -5.643 -6.500 -2.339 24 HA3 GLY 6 HA3 GLY 6 -5.391 -6.244 -4.059 25 H TYR 7 H TYR 7 -2.800 -5.642 -1.835 26 HA TYR 7 HA TYR 7 -1.051 -7.416 -3.158 27 HB2 TYR 7 HB2 TYR 7 0.588 -6.746 -1.597 28 HB3 TYR 7 HB3 TYR 7 -0.456 -5.341 -1.787 29 HD1 TYR 7 HD1 TYR 7 1.020 -7.606 0.527 30 HD2 TYR 7 HD2 TYR 7 -2.312 -5.020 -0.026 31 HE1 TYR 7 HE1 TYR 7 0.669 -7.548 2.961 32 HE2 TYR 7 HE2 TYR 7 -2.672 -4.954 2.406 33 HH TYR 7 HH TYR 7 -0.391 -6.023 4.632 34 H GLY 8 H GLY 8 -0.130 -9.372 -2.481 35 HA2 GLY 8 HA2 GLY 8 -1.944 -11.058 -0.983 36 HA3 GLY 8 HA3 GLY 8 -0.490 -11.575 -1.824 37 H VAL 9 H VAL 9 -0.470 -12.867 0.284 38 HA VAL 9 HA VAL 9 0.375 -11.456 2.645 39 HB VAL 9 HB VAL 9 0.806 -13.753 3.551 40 HG11 VAL 9 HG11 VAL 9 -1.883 -14.179 2.663 41 HG12 VAL 9 HG12 VAL 9 -1.301 -13.651 4.244 42 HG13 VAL 9 HG13 VAL 9 -1.626 -12.463 2.981 43 HG21 VAL 9 HG21 VAL 9 0.103 -15.684 2.285 44 HG22 VAL 9 HG22 VAL 9 -0.366 -14.664 0.925 45 HG23 VAL 9 HG23 VAL 9 1.333 -14.807 1.375 46 H ASP 10 H ASP 10 1.910 -13.205 0.025 47 HA ASP 10 HA ASP 10 4.536 -12.561 1.199 48 HB2 ASP 10 HB2 ASP 10 4.040 -15.007 0.999 49 HB3 ASP 10 HB3 ASP 10 3.925 -14.795 -0.746 50 H GLN 11 H GLN 11 2.695 -11.025 -0.636 51 HA GLN 11 HA GLN 11 4.506 -10.750 -2.940 52 HB2 GLN 11 HB2 GLN 11 1.655 -9.777 -2.707 53 HB3 GLN 11 HB3 GLN 11 2.656 -9.769 -4.152 54 HG2 GLN 11 HG2 GLN 11 2.748 -12.374 -3.611 55 HG3 GLN 11 HG3 GLN 11 1.197 -11.992 -2.864 56 HE21 GLN 11 HE21 GLN 11 2.162 -13.430 -5.398 57 HE22 GLN 11 HE22 GLN 11 1.130 -12.798 -6.630 58 H ARG 12 H ARG 12 5.491 -8.842 -3.354 59 HA ARG 12 HA ARG 12 4.755 -6.511 -1.729 60 HB2 ARG 12 HB2 ARG 12 7.487 -7.746 -2.007 61 HB3 ARG 12 HB3 ARG 12 7.278 -6.057 -1.567 62 HG2 ARG 12 HG2 ARG 12 6.008 -8.310 -0.039 63 HG3 ARG 12 HG3 ARG 12 7.607 -7.667 0.337 64 HD2 ARG 12 HD2 ARG 12 6.718 -5.525 0.849 65 HD3 ARG 12 HD3 ARG 12 5.142 -5.950 0.185 66 HE ARG 12 HE ARG 12 5.422 -7.741 2.163 67 HH11 ARG 12 HH11 ARG 12 5.850 -4.288 2.062 68 HH12 ARG 12 HH12 ARG 12 5.402 -4.053 3.719 69 HH21 ARG 12 HH21 ARG 12 4.830 -7.445 4.346 70 HH22 ARG 12 HH22 ARG 12 4.823 -5.849 5.018 71 H ARG 13 H ARG 13 5.648 -4.472 -2.579 72 HA ARG 13 HA ARG 13 5.565 -4.496 -5.496 73 HB2 ARG 13 HB2 ARG 13 4.149 -2.950 -4.010 74 HB3 ARG 13 HB3 ARG 13 5.636 -2.049 -3.745 75 HG2 ARG 13 HG2 ARG 13 4.835 -0.873 -5.502 76 HG3 ARG 13 HG3 ARG 13 5.694 -2.126 -6.401 77 HD2 ARG 13 HD2 ARG 13 3.310 -3.335 -6.049 78 HD3 ARG 13 HD3 ARG 13 2.799 -1.648 -6.095 79 HE ARG 13 HE ARG 13 3.726 -3.222 -8.290 80 HH11 ARG 13 HH11 ARG 13 3.576 0.013 -7.013 81 HH12 ARG 13 HH12 ARG 13 3.675 0.771 -8.568 82 HH21 ARG 13 HH21 ARG 13 3.857 -2.236 -10.343 83 HH22 ARG 13 HH22 ARG 13 3.834 -0.509 -10.461 84 H THR 14 H THR 14 7.222 -3.895 -6.790 85 HA THR 14 HA THR 14 9.861 -3.911 -5.711 86 HB THR 14 HB THR 14 9.116 -3.090 -8.518 87 HG1 THR 14 HG1 THR 14 9.666 -5.750 -7.696 88 HG21 THR 14 HG21 THR 14 11.411 -4.724 -8.411 89 HG22 THR 14 HG22 THR 14 11.581 -3.533 -7.122 90 HG23 THR 14 HG23 THR 14 11.326 -3.003 -8.784 91 H ASN 15 H ASN 15 11.391 -2.259 -5.655 92 HA ASN 15 HA ASN 15 12.200 -0.145 -5.420 93 HB2 ASN 15 HB2 ASN 15 9.854 0.957 -6.936 94 HB3 ASN 15 HB3 ASN 15 11.521 1.524 -6.912 95 HD21 ASN 15 HD21 ASN 15 13.128 -0.085 -7.793 96 HD22 ASN 15 HD22 ASN 15 12.668 -0.930 -9.228 97 H SER 16 H SER 16 10.003 -1.339 -3.710 98 HA SER 16 HA SER 16 8.937 1.148 -2.554 99 HB2 SER 16 HB2 SER 16 7.972 -1.705 -2.454 100 HB3 SER 16 HB3 SER 16 7.391 -0.491 -1.315 101 HG SER 16 HG SER 16 6.396 0.565 -2.915 102 HA PRO 17 HA PRO 17 11.469 0.744 1.010 103 HB2 PRO 17 HB2 PRO 17 9.860 1.854 2.894 104 HB3 PRO 17 HB3 PRO 17 10.676 2.804 1.646 105 HG2 PRO 17 HG2 PRO 17 7.846 1.833 1.739 106 HG3 PRO 17 HG3 PRO 17 8.470 3.417 1.243 107 HD2 PRO 17 HD2 PRO 17 7.754 1.511 -0.541 108 HD3 PRO 17 HD3 PRO 17 9.063 2.668 -0.854 109 H CYS 18 H CYS 18 11.906 -0.797 2.480 110 HA CYS 18 HA CYS 18 9.672 -2.451 3.458 111 HB2 CYS 18 HB2 CYS 18 11.337 -4.352 3.488 112 HB3 CYS 18 HB3 CYS 18 10.861 -3.796 1.887 113 H GLN 19 H GLN 19 10.300 -3.717 5.462 114 HA GLN 19 HA GLN 19 11.381 -1.850 7.387 115 HB2 GLN 19 HB2 GLN 19 9.653 -4.192 7.438 116 HB3 GLN 19 HB3 GLN 19 10.848 -4.224 8.728 117 HG2 GLN 19 HG2 GLN 19 9.874 -2.549 9.847 118 HG3 GLN 19 HG3 GLN 19 9.504 -1.646 8.379 119 HE21 GLN 19 HE21 GLN 19 8.133 -3.074 10.933 120 HE22 GLN 19 HE22 GLN 19 6.601 -3.512 10.266 121 H ALA 20 H ALA 20 12.875 -2.701 9.115 122 HA ALA 20 HA ALA 20 15.299 -3.544 7.929 123 HB1 ALA 20 HB1 ALA 20 15.872 -3.881 10.491 124 HB2 ALA 20 HB2 ALA 20 15.720 -2.276 9.775 125 HB3 ALA 20 HB3 ALA 20 14.379 -2.962 10.691 126 H SER 21 H SER 21 12.835 -5.227 9.812 127 HA SER 21 HA SER 21 14.298 -7.661 10.055 128 HB2 SER 21 HB2 SER 21 11.525 -8.213 10.231 129 HB3 SER 21 HB3 SER 21 12.675 -8.021 11.555 130 HG SER 21 HG SER 21 10.756 -6.289 10.619 131 H ASN 22 H ASN 22 12.277 -6.272 7.613 132 HA ASN 22 HA ASN 22 11.491 -8.609 6.260 133 HB2 ASN 22 HB2 ASN 22 11.826 -5.741 5.420 134 HB3 ASN 22 HB3 ASN 22 11.390 -6.979 4.246 135 HD21 ASN 22 HD21 ASN 22 10.433 -6.666 7.629 136 HD22 ASN 22 HD22 ASN 22 8.739 -6.525 7.321 137 H GLY 23 H GLY 23 14.533 -7.092 6.554 138 HA2 GLY 23 HA2 GLY 23 15.677 -7.889 4.072 139 HA3 GLY 23 HA3 GLY 23 16.560 -7.408 5.513 140 H ASP 24 H ASP 24 14.693 -9.709 6.707 141 HA ASP 24 HA ASP 24 16.674 -11.813 6.156 142 HB2 ASP 24 HB2 ASP 24 15.627 -10.798 8.583 143 HB3 ASP 24 HB3 ASP 24 14.998 -12.433 8.401 144 H ARG 25 H ARG 25 14.156 -11.077 4.645 145 HA ARG 25 HA ARG 25 13.201 -13.797 4.339 146 HB2 ARG 25 HB2 ARG 25 10.784 -12.570 4.312 147 HB3 ARG 25 HB3 ARG 25 11.441 -13.423 5.703 148 HG2 ARG 25 HG2 ARG 25 12.051 -11.445 6.779 149 HG3 ARG 25 HG3 ARG 25 11.941 -10.498 5.294 150 HD2 ARG 25 HD2 ARG 25 9.853 -9.961 5.821 151 HD3 ARG 25 HD3 ARG 25 9.408 -11.663 5.714 152 HE ARG 25 HE ARG 25 9.800 -10.120 8.108 153 HH11 ARG 25 HH11 ARG 25 9.786 -13.315 6.726 154 HH12 ARG 25 HH12 ARG 25 9.466 -14.107 8.233 155 HH21 ARG 25 HH21 ARG 25 9.378 -11.151 10.098 156 HH22 ARG 25 HH22 ARG 25 9.233 -12.875 10.151 157 H HIS 26 H HIS 26 11.953 -14.105 2.388 158 HA HIS 26 HA HIS 26 12.471 -11.997 0.396 159 HB2 HIS 26 HB2 HIS 26 12.353 -15.000 0.069 160 HB3 HIS 26 HB3 HIS 26 12.443 -13.869 -1.279 161 HD1 HIS 26 HD1 HIS 26 14.674 -15.831 -1.097 162 HD2 HIS 26 HD2 HIS 26 14.761 -12.193 0.908 163 HE1 HIS 26 HE1 HIS 26 17.106 -15.358 -0.668 164 H PHE 27 H PHE 27 10.919 -11.763 -1.332 165 HA PHE 27 HA PHE 27 8.254 -12.846 -0.784 166 HB2 PHE 27 HB2 PHE 27 8.993 -9.934 -0.944 167 HB3 PHE 27 HB3 PHE 27 7.366 -10.483 -1.335 168 HD1 PHE 27 HD1 PHE 27 5.795 -10.619 0.343 169 HD2 PHE 27 HD2 PHE 27 9.927 -10.737 1.358 170 HE1 PHE 27 HE1 PHE 27 5.206 -10.577 2.732 171 HE2 PHE 27 HE2 PHE 27 9.345 -10.696 3.748 172 HZ PHE 27 HZ PHE 27 6.982 -10.617 4.438 173 H CYS 28 H CYS 28 6.951 -13.100 -2.580 174 HA CYS 28 HA CYS 28 8.347 -13.012 -5.130 175 HB2 CYS 28 HB2 CYS 28 5.868 -14.351 -4.115 176 HB3 CYS 28 HB3 CYS 28 6.084 -14.136 -5.849 177 H GLY 29 H GLY 29 8.098 -11.426 -6.554 178 HA2 GLY 29 HA2 GLY 29 6.719 -9.102 -6.208 179 HA3 GLY 29 HA3 GLY 29 7.100 -9.757 -7.794 180 H CYS 30 H CYS 30 4.803 -8.201 -7.138 181 HA CYS 30 HA CYS 30 2.492 -9.699 -6.670 182 HB2 CYS 30 HB2 CYS 30 2.946 -7.135 -8.195 183 HB3 CYS 30 HB3 CYS 30 1.341 -7.812 -7.940 184 H ASP 31 H ASP 31 4.494 -9.468 -9.464 185 HA ASP 31 HA ASP 31 2.497 -10.433 -11.311 186 HB2 ASP 31 HB2 ASP 31 5.400 -9.736 -11.479 187 HB3 ASP 31 HB3 ASP 31 4.697 -10.749 -12.736 188 H ARG 32 H ARG 32 4.405 -11.837 -8.947 189 HA ARG 32 HA ARG 32 4.943 -13.979 -8.400 190 HB2 ARG 32 HB2 ARG 32 2.819 -14.735 -10.412 191 HB3 ARG 32 HB3 ARG 32 3.412 -15.722 -9.084 192 HG2 ARG 32 HG2 ARG 32 2.337 -14.416 -7.476 193 HG3 ARG 32 HG3 ARG 32 2.108 -13.071 -8.594 194 HD2 ARG 32 HD2 ARG 32 0.036 -14.375 -8.113 195 HD3 ARG 32 HD3 ARG 32 0.457 -14.282 -9.823 196 HE ARG 32 HE ARG 32 1.590 -16.612 -8.833 197 HH11 ARG 32 HH11 ARG 32 -1.589 -15.264 -9.273 198 HH12 ARG 32 HH12 ARG 32 -2.356 -16.803 -9.480 199 HH21 ARG 32 HH21 ARG 32 0.592 -18.645 -9.105 200 HH22 ARG 32 HH22 ARG 32 -1.114 -18.726 -9.383 201 H THR 33 H THR 33 6.082 -12.631 -10.893 202 HA THR 33 HA THR 33 7.025 -15.048 -12.283 203 HB THR 33 HB THR 33 7.799 -13.452 -14.065 204 HG1 THR 33 HG1 THR 33 7.110 -11.340 -13.970 205 HG21 THR 33 HG21 THR 33 5.816 -14.597 -14.567 206 HG22 THR 33 HG22 THR 33 5.406 -12.901 -14.822 207 HG23 THR 33 HG23 THR 33 4.895 -13.719 -13.346 208 H GLY 34 H GLY 34 7.940 -12.706 -10.041 209 HA2 GLY 34 HA2 GLY 34 10.714 -13.608 -10.197 210 HA3 GLY 34 HA3 GLY 34 10.434 -11.880 -10.360 211 H ILE 35 H ILE 35 11.993 -13.012 -8.321 212 HA ILE 35 HA ILE 35 10.300 -12.573 -5.949 213 HB ILE 35 HB ILE 35 12.944 -14.023 -5.985 214 HG12 ILE 35 HG12 ILE 35 10.153 -15.192 -6.025 215 HG13 ILE 35 HG13 ILE 35 11.294 -15.228 -7.365 216 HG21 ILE 35 HG21 ILE 35 10.746 -14.056 -3.927 217 HG22 ILE 35 HG22 ILE 35 12.360 -14.749 -3.786 218 HG23 ILE 35 HG23 ILE 35 12.155 -12.998 -3.848 219 HD11 ILE 35 HD11 ILE 35 11.071 -16.972 -5.072 220 HD12 ILE 35 HD12 ILE 35 11.938 -17.201 -6.591 221 HD13 ILE 35 HD13 ILE 35 12.704 -16.332 -5.262 222 H VAL 36 H VAL 36 10.763 -10.915 -4.639 223 HA VAL 36 HA VAL 36 13.313 -9.494 -5.057 224 HB VAL 36 HB VAL 36 12.224 -7.397 -4.621 225 HG11 VAL 36 HG11 VAL 36 10.175 -8.106 -6.459 226 HG12 VAL 36 HG12 VAL 36 11.711 -7.297 -6.778 227 HG13 VAL 36 HG13 VAL 36 11.611 -9.057 -6.836 228 HG21 VAL 36 HG21 VAL 36 10.072 -9.130 -3.646 229 HG22 VAL 36 HG22 VAL 36 10.514 -7.490 -3.169 230 HG23 VAL 36 HG23 VAL 36 9.522 -7.754 -4.604 231 H GLU 37 H GLU 37 14.403 -8.746 -3.267 232 HA GLU 37 HA GLU 37 13.301 -9.540 -0.652 233 HB2 GLU 37 HB2 GLU 37 15.084 -11.051 -1.155 234 HB3 GLU 37 HB3 GLU 37 16.131 -9.739 -1.677 235 HG2 GLU 37 HG2 GLU 37 16.176 -8.887 0.630 236 HG3 GLU 37 HG3 GLU 37 15.188 -10.258 1.133 237 H CYS 38 H CYS 38 13.813 -8.225 1.138 238 HA CYS 38 HA CYS 38 13.885 -5.450 0.580 239 HB2 CYS 38 HB2 CYS 38 12.719 -6.197 2.535 240 HB3 CYS 38 HB3 CYS 38 14.157 -7.002 3.156 241 H LYS 39 H LYS 39 15.696 -4.684 -0.370 242 HA LYS 39 HA LYS 39 18.218 -5.018 1.113 243 HB2 LYS 39 HB2 LYS 39 17.619 -5.556 -1.698 244 HB3 LYS 39 HB3 LYS 39 18.994 -4.481 -1.483 245 HG2 LYS 39 HG2 LYS 39 20.007 -6.150 0.037 246 HG3 LYS 39 HG3 LYS 39 18.663 -7.238 -0.320 247 HD2 LYS 39 HD2 LYS 39 20.582 -6.108 -2.358 248 HD3 LYS 39 HD3 LYS 39 20.661 -7.734 -1.675 249 HE2 LYS 39 HE2 LYS 39 18.347 -8.116 -2.554 250 HE3 LYS 39 HE3 LYS 39 18.471 -6.566 -3.385 251 HZ1 LYS 39 HZ1 LYS 39 19.748 -9.105 -3.995 252 HZ2 LYS 39 HZ2 LYS 39 20.705 -7.728 -4.211 253 HZ3 LYS 39 HZ3 LYS 39 19.235 -7.873 -5.035 254 H GLY 40 H GLY 40 19.417 -3.204 1.463 255 HA2 GLY 40 HA2 GLY 40 19.867 -0.964 1.677 256 HA3 GLY 40 HA3 GLY 40 19.335 -0.828 0.007 257 H GLY 41 H GLY 41 17.064 -2.066 2.278 258 HA2 GLY 41 HA2 GLY 41 15.331 -1.024 3.444 259 HA3 GLY 41 HA3 GLY 41 15.920 0.533 2.881 260 H LYS 42 H LYS 42 15.749 -1.502 0.270 261 HA LYS 42 HA LYS 42 12.946 -0.854 -0.310 262 HB2 LYS 42 HB2 LYS 42 13.462 0.023 -2.471 263 HB3 LYS 42 HB3 LYS 42 14.477 0.870 -1.311 264 HG2 LYS 42 HG2 LYS 42 16.223 0.358 -2.567 265 HG3 LYS 42 HG3 LYS 42 15.978 -1.336 -2.137 266 HD2 LYS 42 HD2 LYS 42 16.064 -1.125 -4.540 267 HD3 LYS 42 HD3 LYS 42 14.423 -1.555 -4.050 268 HE2 LYS 42 HE2 LYS 42 14.523 0.207 -5.802 269 HE3 LYS 42 HE3 LYS 42 13.681 0.707 -4.336 270 HZ1 LYS 42 HZ1 LYS 42 15.463 2.236 -5.453 271 HZ2 LYS 42 HZ2 LYS 42 16.545 1.285 -4.567 272 HZ3 LYS 42 HZ3 LYS 42 15.332 2.153 -3.768 273 H TRP 43 H TRP 43 11.888 -2.294 -1.654 274 HA TRP 43 HA TRP 43 12.895 -4.946 -1.700 275 HB2 TRP 43 HB2 TRP 43 10.479 -3.651 -2.961 276 HB3 TRP 43 HB3 TRP 43 10.838 -5.365 -3.148 277 HD1 TRP 43 HD1 TRP 43 9.016 -3.047 -0.948 278 HE1 TRP 43 HE1 TRP 43 8.309 -4.220 1.231 279 HE3 TRP 43 HE3 TRP 43 11.901 -7.252 -1.317 280 HZ2 TRP 43 HZ2 TRP 43 8.897 -6.612 2.611 281 HZ3 TRP 43 HZ3 TRP 43 11.770 -8.933 0.475 282 HH2 TRP 43 HH2 TRP 43 10.299 -8.617 2.398 283 H THR 44 H THR 44 14.352 -5.739 -3.053 284 HA THR 44 HA THR 44 14.388 -4.746 -5.827 285 HB THR 44 HB THR 44 16.785 -5.486 -4.138 286 HG1 THR 44 HG1 THR 44 16.104 -3.407 -3.668 287 HG21 THR 44 HG21 THR 44 17.818 -4.357 -6.354 288 HG22 THR 44 HG22 THR 44 16.407 -5.155 -7.050 289 HG23 THR 44 HG23 THR 44 17.604 -6.096 -6.161 290 H GLU 45 H GLU 45 14.549 -6.247 -7.426 291 HA GLU 45 HA GLU 45 13.832 -8.912 -6.875 292 HB2 GLU 45 HB2 GLU 45 13.513 -7.539 -9.037 293 HB3 GLU 45 HB3 GLU 45 15.150 -8.043 -9.435 294 HG2 GLU 45 HG2 GLU 45 14.503 -10.359 -9.382 295 HG3 GLU 45 HG3 GLU 45 12.885 -9.929 -8.830 296 H ILE 46 H ILE 46 14.999 -10.657 -6.397 297 HA ILE 46 HA ILE 46 17.923 -10.511 -6.747 298 HB ILE 46 HB ILE 46 18.187 -11.912 -4.777 299 HG12 ILE 46 HG12 ILE 46 15.190 -11.673 -4.443 300 HG13 ILE 46 HG13 ILE 46 16.025 -13.122 -4.993 301 HG21 ILE 46 HG21 ILE 46 18.113 -10.171 -3.353 302 HG22 ILE 46 HG22 ILE 46 17.620 -9.270 -4.785 303 HG23 ILE 46 HG23 ILE 46 16.403 -9.863 -3.655 304 HD11 ILE 46 HD11 ILE 46 15.346 -12.586 -2.421 305 HD12 ILE 46 HD12 ILE 46 16.614 -13.705 -2.922 306 HD13 ILE 46 HD13 ILE 46 17.026 -12.052 -2.465 307 H GLN 47 H GLN 47 15.057 -12.191 -7.461 308 HA GLN 47 HA GLN 47 16.559 -14.200 -8.921 309 HB2 GLN 47 HB2 GLN 47 15.813 -14.928 -6.449 310 HB3 GLN 47 HB3 GLN 47 14.325 -15.305 -7.308 311 HG2 GLN 47 HG2 GLN 47 16.981 -16.298 -8.273 312 HG3 GLN 47 HG3 GLN 47 16.067 -17.153 -7.032 313 HE21 GLN 47 HE21 GLN 47 13.760 -17.616 -7.623 314 HE22 GLN 47 HE22 GLN 47 13.453 -18.130 -9.243 315 H ASP 48 H ASP 48 15.313 -15.280 -10.536 316 HA ASP 48 HA ASP 48 12.775 -13.916 -11.159 317 HB2 ASP 48 HB2 ASP 48 14.401 -13.207 -12.765 318 HB3 ASP 48 HB3 ASP 48 14.970 -14.856 -13.008 319 H CYS 49 H CYS 49 11.039 -15.171 -11.297 320 HA CYS 49 HA CYS 49 11.350 -18.051 -11.138 321 HB2 CYS 49 HB2 CYS 49 9.076 -16.136 -10.785 322 HB3 CYS 49 HB3 CYS 49 8.730 -17.835 -11.090 323 H GLY 50 H GLY 50 10.605 -15.652 -13.498 324 HA2 GLY 50 HA2 GLY 50 10.521 -15.945 -15.806 325 HA3 GLY 50 HA3 GLY 50 10.491 -17.684 -15.557 326 H GLY 51 H GLY 51 8.312 -18.181 -14.113 327 HA2 GLY 51 HA2 GLY 51 6.147 -17.183 -15.848 328 HA3 GLY 51 HA3 GLY 51 6.150 -18.743 -15.038 329 H ALA 52 H ALA 52 4.143 -16.606 -14.983 330 HA ALA 52 HA ALA 52 4.278 -15.379 -12.391 331 HB1 ALA 52 HB1 ALA 52 1.923 -15.628 -14.258 332 HB2 ALA 52 HB2 ALA 52 2.061 -14.536 -12.880 333 HB3 ALA 52 HB3 ALA 52 3.109 -14.323 -14.282 334 H SER 53 H SER 53 4.679 -17.489 -11.286 335 HA SER 53 HA SER 53 2.146 -18.531 -10.290 336 HB2 SER 53 HB2 SER 53 4.017 -20.052 -11.958 337 HB3 SER 53 HB3 SER 53 3.624 -20.851 -10.436 338 HG SER 53 HG SER 53 1.650 -21.171 -11.111 339 H CYS 54 H CYS 54 4.779 -17.019 -9.531 340 HA CYS 54 HA CYS 54 5.911 -18.611 -7.439 341 HB2 CYS 54 HB2 CYS 54 7.041 -16.705 -8.732 342 HB3 CYS 54 HB3 CYS 54 6.141 -15.616 -7.681 343 H ARG 55 H ARG 55 5.125 -18.927 -5.470 344 HA ARG 55 HA ARG 55 3.451 -16.861 -4.239 345 HB2 ARG 55 HB2 ARG 55 2.414 -19.239 -5.294 346 HB3 ARG 55 HB3 ARG 55 2.489 -19.503 -3.557 347 HG2 ARG 55 HG2 ARG 55 1.069 -17.268 -4.988 348 HG3 ARG 55 HG3 ARG 55 0.335 -18.625 -4.130 349 HD2 ARG 55 HD2 ARG 55 1.896 -17.600 -2.181 350 HD3 ARG 55 HD3 ARG 55 1.524 -16.136 -3.091 351 HE ARG 55 HE ARG 55 -0.598 -16.230 -2.262 352 HH11 ARG 55 HH11 ARG 55 0.845 -19.386 -1.982 353 HH12 ARG 55 HH12 ARG 55 -0.489 -20.061 -1.108 354 HH21 ARG 55 HH21 ARG 55 -2.361 -17.108 -1.112 355 HH22 ARG 55 HH22 ARG 55 -2.313 -18.765 -0.614 356 H GLY 56 H GLY 56 3.734 -16.621 -2.069 357 HA2 GLY 56 HA2 GLY 56 5.422 -18.611 -0.695 358 HA3 GLY 56 HA3 GLY 56 5.819 -16.900 -0.616 359 H VAL 57 H VAL 57 5.657 -17.322 1.728 360 HA VAL 57 HA VAL 57 2.860 -17.283 2.655 361 HB VAL 57 HB VAL 57 3.713 -18.030 4.847 362 HG11 VAL 57 HG11 VAL 57 4.070 -19.649 2.377 363 HG12 VAL 57 HG12 VAL 57 4.599 -20.332 3.916 364 HG13 VAL 57 HG13 VAL 57 2.919 -19.842 3.699 365 HG21 VAL 57 HG21 VAL 57 6.352 -18.516 3.488 366 HG22 VAL 57 HG22 VAL 57 6.026 -17.077 4.453 367 HG23 VAL 57 HG23 VAL 57 5.961 -18.672 5.201 368 H SER 58 H SER 58 2.585 -16.064 4.767 369 HA SER 58 HA SER 58 3.253 -13.366 4.377 370 HB2 SER 58 HB2 SER 58 1.294 -14.283 5.703 371 HB3 SER 58 HB3 SER 58 2.431 -14.589 7.015 372 HG SER 58 HG SER 58 1.217 -12.305 6.370 373 H GLN 59 H GLN 59 5.032 -15.924 5.748 374 HA GLN 59 HA GLN 59 6.789 -14.100 7.222 375 HB2 GLN 59 HB2 GLN 59 6.749 -17.122 7.155 376 HB3 GLN 59 HB3 GLN 59 7.791 -16.134 8.170 377 HG2 GLN 59 HG2 GLN 59 6.237 -16.136 9.736 378 HG3 GLN 59 HG3 GLN 59 5.148 -15.285 8.641 379 HE21 GLN 59 HE21 GLN 59 3.677 -16.495 7.392 380 HE22 GLN 59 HE22 GLN 59 3.210 -18.092 7.857 381 H GLY 60 H GLY 60 6.559 -14.670 4.185 382 HA2 GLY 60 HA2 GLY 60 8.215 -14.226 2.576 383 HA3 GLY 60 HA3 GLY 60 9.445 -14.663 3.753 384 H GLY 61 H GLY 61 10.586 -16.284 2.908 385 HA2 GLY 61 HA2 GLY 61 11.094 -18.329 2.000 386 HA3 GLY 61 HA3 GLY 61 9.541 -18.862 2.626 387 H ALA 62 H ALA 62 10.027 -16.330 0.227 388 HA ALA 62 HA ALA 62 8.053 -17.158 -1.509 389 HB1 ALA 62 HB1 ALA 62 10.358 -15.353 -1.666 390 HB2 ALA 62 HB2 ALA 62 9.802 -15.974 -3.220 391 HB3 ALA 62 HB3 ALA 62 8.685 -15.108 -2.166 392 H ARG 63 H ARG 63 7.850 -18.677 -3.042 393 HA ARG 63 HA ARG 63 10.254 -20.087 -3.967 394 HB2 ARG 63 HB2 ARG 63 8.962 -22.236 -3.823 395 HB3 ARG 63 HB3 ARG 63 9.390 -21.529 -2.270 396 HG2 ARG 63 HG2 ARG 63 6.736 -20.871 -3.434 397 HG3 ARG 63 HG3 ARG 63 6.982 -22.474 -2.738 398 HD2 ARG 63 HD2 ARG 63 7.975 -21.140 -0.730 399 HD3 ARG 63 HD3 ARG 63 7.065 -19.795 -1.416 400 HE ARG 63 HE ARG 63 5.218 -21.752 -1.285 401 HH11 ARG 63 HH11 ARG 63 7.465 -20.461 1.040 402 HH12 ARG 63 HH12 ARG 63 6.447 -20.792 2.402 403 HH21 ARG 63 HH21 ARG 63 3.869 -22.192 0.501 404 HH22 ARG 63 HH22 ARG 63 4.402 -21.777 2.095 405 H CYS 64 H CYS 64 10.173 -20.856 -6.062 406 HA CYS 64 HA CYS 64 8.182 -19.615 -7.752 407 HB2 CYS 64 HB2 CYS 64 10.615 -21.294 -8.387 408 HB3 CYS 64 HB3 CYS 64 9.567 -20.577 -9.607 Start of MODEL 12 1 H1 ASP 1 H ASP 1 2.044 0.256 0.780 2 HA ASP 1 HA ASP 1 2.009 0.417 -2.134 3 HB2 ASP 1 HB2 ASP 1 4.550 0.492 -0.571 4 HB3 ASP 1 HB3 ASP 1 4.091 1.395 -2.012 5 H THR 2 H THR 2 1.637 -2.064 -0.315 6 HA THR 2 HA THR 2 3.842 -3.774 -0.870 7 HB THR 2 HB THR 2 1.816 -5.526 -0.446 8 HG1 THR 2 HG1 THR 2 0.290 -3.784 -0.293 9 HG21 THR 2 HG21 THR 2 3.084 -5.914 1.344 10 HG22 THR 2 HG22 THR 2 2.544 -4.411 2.093 11 HG23 THR 2 HG23 THR 2 3.945 -4.409 1.023 12 H CYS 3 H CYS 3 0.904 -2.950 -2.562 13 HA CYS 3 HA CYS 3 1.858 -4.069 -4.997 14 HB2 CYS 3 HB2 CYS 3 0.977 -6.089 -3.683 15 HB3 CYS 3 HB3 CYS 3 -0.625 -5.403 -3.931 16 H GLY 4 H GLY 4 0.684 -1.611 -3.766 17 HA2 GLY 4 HA2 GLY 4 -0.690 0.110 -4.409 18 HA3 GLY 4 HA3 GLY 4 -0.731 -0.664 -5.986 19 H GLY 5 H GLY 5 -1.825 -2.568 -3.353 20 HA2 GLY 5 HA2 GLY 5 -4.132 -2.449 -2.483 21 HA3 GLY 5 HA3 GLY 5 -4.622 -1.979 -4.104 22 H GLY 6 H GLY 6 -4.828 -4.431 -2.043 23 HA2 GLY 6 HA2 GLY 6 -5.599 -6.585 -2.425 24 HA3 GLY 6 HA3 GLY 6 -5.323 -6.346 -4.144 25 H TYR 7 H TYR 7 -2.766 -5.704 -1.893 26 HA TYR 7 HA TYR 7 -0.994 -7.490 -3.169 27 HB2 TYR 7 HB2 TYR 7 0.626 -6.779 -1.611 28 HB3 TYR 7 HB3 TYR 7 -0.430 -5.387 -1.820 29 HD1 TYR 7 HD1 TYR 7 -2.293 -5.059 -0.071 30 HD2 TYR 7 HD2 TYR 7 1.053 -7.619 0.523 31 HE1 TYR 7 HE1 TYR 7 -2.666 -4.973 2.358 32 HE2 TYR 7 HE2 TYR 7 0.688 -7.541 2.954 33 HH TYR 7 HH TYR 7 -1.456 -7.079 4.480 34 H GLY 8 H GLY 8 -0.091 -9.440 -2.471 35 HA2 GLY 8 HA2 GLY 8 -1.907 -11.102 -0.951 36 HA3 GLY 8 HA3 GLY 8 -0.449 -11.630 -1.776 37 H VAL 9 H VAL 9 -0.445 -12.888 0.356 38 HA VAL 9 HA VAL 9 0.392 -11.436 2.696 39 HB VAL 9 HB VAL 9 0.806 -13.715 3.649 40 HG11 VAL 9 HG11 VAL 9 -1.905 -13.272 2.402 41 HG12 VAL 9 HG12 VAL 9 -1.557 -14.326 3.774 42 HG13 VAL 9 HG13 VAL 9 -1.340 -12.582 3.923 43 HG21 VAL 9 HG21 VAL 9 -0.608 -15.290 1.794 44 HG22 VAL 9 HG22 VAL 9 0.637 -14.436 0.883 45 HG23 VAL 9 HG23 VAL 9 1.086 -15.433 2.267 46 H ASP 10 H ASP 10 1.933 -13.238 0.114 47 HA ASP 10 HA ASP 10 4.556 -12.591 1.293 48 HB2 ASP 10 HB2 ASP 10 4.020 -15.041 1.104 49 HB3 ASP 10 HB3 ASP 10 3.969 -14.835 -0.645 50 H GLN 11 H GLN 11 2.729 -11.071 -0.575 51 HA GLN 11 HA GLN 11 4.563 -10.826 -2.864 52 HB2 GLN 11 HB2 GLN 11 1.705 -9.866 -2.677 53 HB3 GLN 11 HB3 GLN 11 2.723 -9.866 -4.111 54 HG2 GLN 11 HG2 GLN 11 2.826 -12.462 -3.549 55 HG3 GLN 11 HG3 GLN 11 1.270 -12.088 -2.811 56 HE21 GLN 11 HE21 GLN 11 2.234 -13.552 -5.319 57 HE22 GLN 11 HE22 GLN 11 1.211 -12.932 -6.565 58 H ARG 12 H ARG 12 5.540 -8.917 -3.300 59 HA ARG 12 HA ARG 12 4.781 -6.569 -1.708 60 HB2 ARG 12 HB2 ARG 12 7.519 -7.797 -1.954 61 HB3 ARG 12 HB3 ARG 12 7.303 -6.100 -1.543 62 HG2 ARG 12 HG2 ARG 12 6.070 -8.359 0.014 63 HG3 ARG 12 HG3 ARG 12 7.631 -7.632 0.402 64 HD2 ARG 12 HD2 ARG 12 6.539 -5.451 0.661 65 HD3 ARG 12 HD3 ARG 12 4.983 -6.192 0.292 66 HE ARG 12 HE ARG 12 6.332 -6.217 2.796 67 HH11 ARG 12 HH11 ARG 12 4.255 -8.104 0.735 68 HH12 ARG 12 HH12 ARG 12 3.546 -8.991 2.044 69 HH21 ARG 12 HH21 ARG 12 5.406 -7.378 4.527 70 HH22 ARG 12 HH22 ARG 12 4.200 -8.577 4.200 71 H ARG 13 H ARG 13 5.674 -4.537 -2.576 72 HA ARG 13 HA ARG 13 5.596 -4.592 -5.493 73 HB2 ARG 13 HB2 ARG 13 4.175 -3.031 -4.040 74 HB3 ARG 13 HB3 ARG 13 5.660 -2.133 -3.756 75 HG2 ARG 13 HG2 ARG 13 4.899 -0.958 -5.528 76 HG3 ARG 13 HG3 ARG 13 5.751 -2.225 -6.414 77 HD2 ARG 13 HD2 ARG 13 3.359 -3.411 -6.093 78 HD3 ARG 13 HD3 ARG 13 2.856 -1.721 -6.124 79 HE ARG 13 HE ARG 13 4.626 -2.247 -8.261 80 HH11 ARG 13 HH11 ARG 13 1.363 -2.854 -7.211 81 HH12 ARG 13 HH12 ARG 13 0.732 -2.990 -8.818 82 HH21 ARG 13 HH21 ARG 13 3.807 -2.424 -10.383 83 HH22 ARG 13 HH22 ARG 13 2.123 -2.746 -10.622 84 H THR 14 H THR 14 7.240 -3.951 -6.799 85 HA THR 14 HA THR 14 9.886 -3.995 -5.735 86 HB THR 14 HB THR 14 9.114 -3.144 -8.526 87 HG1 THR 14 HG1 THR 14 8.581 -5.152 -8.920 88 HG21 THR 14 HG21 THR 14 11.585 -4.487 -7.421 89 HG22 THR 14 HG22 THR 14 11.458 -2.794 -7.899 90 HG23 THR 14 HG23 THR 14 11.305 -4.067 -9.110 91 H ASN 15 H ASN 15 11.436 -2.348 -5.710 92 HA ASN 15 HA ASN 15 12.243 -0.244 -5.402 93 HB2 ASN 15 HB2 ASN 15 10.194 0.104 -7.511 94 HB3 ASN 15 HB3 ASN 15 10.683 1.570 -6.665 95 HD21 ASN 15 HD21 ASN 15 11.715 -1.037 -8.722 96 HD22 ASN 15 HD22 ASN 15 13.198 -0.313 -9.233 97 H SER 16 H SER 16 10.050 -1.418 -3.715 98 HA SER 16 HA SER 16 8.934 1.069 -2.606 99 HB2 SER 16 HB2 SER 16 8.000 -1.794 -2.489 100 HB3 SER 16 HB3 SER 16 7.392 -0.576 -1.367 101 HG SER 16 HG SER 16 7.288 -0.386 -4.199 102 HA PRO 17 HA PRO 17 11.413 0.737 1.002 103 HB2 PRO 17 HB2 PRO 17 9.756 1.829 2.854 104 HB3 PRO 17 HB3 PRO 17 10.572 2.786 1.612 105 HG2 PRO 17 HG2 PRO 17 7.760 1.761 1.670 106 HG3 PRO 17 HG3 PRO 17 8.360 3.354 1.173 107 HD2 PRO 17 HD2 PRO 17 7.707 1.422 -0.609 108 HD3 PRO 17 HD3 PRO 17 8.999 2.602 -0.911 109 H CYS 18 H CYS 18 11.861 -0.799 2.470 110 HA CYS 18 HA CYS 18 9.644 -2.489 3.428 111 HB2 CYS 18 HB2 CYS 18 11.318 -4.361 3.489 112 HB3 CYS 18 HB3 CYS 18 10.917 -3.794 1.871 113 H GLN 19 H GLN 19 10.278 -3.738 5.449 114 HA GLN 19 HA GLN 19 11.242 -1.832 7.392 115 HB2 GLN 19 HB2 GLN 19 9.690 -4.317 7.420 116 HB3 GLN 19 HB3 GLN 19 10.808 -4.173 8.769 117 HG2 GLN 19 HG2 GLN 19 9.729 -2.360 9.656 118 HG3 GLN 19 HG3 GLN 19 9.062 -1.861 8.102 119 HE21 GLN 19 HE21 GLN 19 7.704 -3.887 7.170 120 HE22 GLN 19 HE22 GLN 19 6.467 -4.409 8.258 121 H ALA 20 H ALA 20 12.750 -2.607 9.142 122 HA ALA 20 HA ALA 20 15.234 -3.315 8.000 123 HB1 ALA 20 HB1 ALA 20 14.377 -3.204 10.889 124 HB2 ALA 20 HB2 ALA 20 16.043 -3.379 10.337 125 HB3 ALA 20 HB3 ALA 20 15.138 -1.913 9.959 126 H SER 21 H SER 21 12.846 -5.141 9.857 127 HA SER 21 HA SER 21 14.431 -7.497 10.083 128 HB2 SER 21 HB2 SER 21 11.689 -8.194 10.241 129 HB3 SER 21 HB3 SER 21 12.822 -7.955 11.572 130 HG SER 21 HG SER 21 10.830 -6.598 11.485 131 H ASN 22 H ASN 22 12.357 -6.193 7.641 132 HA ASN 22 HA ASN 22 11.699 -8.558 6.265 133 HB2 ASN 22 HB2 ASN 22 11.724 -5.656 5.629 134 HB3 ASN 22 HB3 ASN 22 11.705 -6.769 4.263 135 HD21 ASN 22 HD21 ASN 22 10.140 -8.773 5.017 136 HD22 ASN 22 HD22 ASN 22 8.543 -8.223 5.383 137 H GLY 23 H GLY 23 14.647 -6.841 6.554 138 HA2 GLY 23 HA2 GLY 23 15.876 -7.462 4.101 139 HA3 GLY 23 HA3 GLY 23 16.717 -7.132 5.608 140 H ASP 24 H ASP 24 14.989 -9.499 6.679 141 HA ASP 24 HA ASP 24 16.841 -11.586 5.733 142 HB2 ASP 24 HB2 ASP 24 15.550 -11.130 8.418 143 HB3 ASP 24 HB3 ASP 24 16.239 -12.689 7.971 144 H ARG 25 H ARG 25 14.347 -10.873 4.444 145 HA ARG 25 HA ARG 25 13.089 -13.503 4.527 146 HB2 ARG 25 HB2 ARG 25 11.324 -11.074 4.504 147 HB3 ARG 25 HB3 ARG 25 10.903 -12.742 4.869 148 HG2 ARG 25 HG2 ARG 25 12.242 -12.564 6.954 149 HG3 ARG 25 HG3 ARG 25 12.478 -10.852 6.599 150 HD2 ARG 25 HD2 ARG 25 10.470 -10.336 7.406 151 HD3 ARG 25 HD3 ARG 25 9.693 -11.566 6.411 152 HE ARG 25 HE ARG 25 9.631 -12.951 8.232 153 HH11 ARG 25 HH11 ARG 25 11.852 -10.342 8.854 154 HH12 ARG 25 HH12 ARG 25 12.080 -10.760 10.520 155 HH21 ARG 25 HH21 ARG 25 9.923 -13.511 10.424 156 HH22 ARG 25 HH22 ARG 25 10.983 -12.563 11.412 157 H HIS 26 H HIS 26 11.736 -13.927 2.646 158 HA HIS 26 HA HIS 26 12.449 -12.229 0.345 159 HB2 HIS 26 HB2 HIS 26 12.319 -15.234 0.558 160 HB3 HIS 26 HB3 HIS 26 12.283 -14.400 -0.993 161 HD1 HIS 26 HD1 HIS 26 14.579 -16.253 -0.571 162 HD2 HIS 26 HD2 HIS 26 14.694 -12.275 0.623 163 HE1 HIS 26 HE1 HIS 26 17.020 -15.664 -0.430 164 H PHE 27 H PHE 27 10.876 -11.799 -1.162 165 HA PHE 27 HA PHE 27 8.210 -12.940 -0.704 166 HB2 PHE 27 HB2 PHE 27 8.940 -10.022 -0.860 167 HB3 PHE 27 HB3 PHE 27 7.314 -10.587 -1.225 168 HD1 PHE 27 HD1 PHE 27 9.912 -10.907 1.432 169 HD2 PHE 27 HD2 PHE 27 5.773 -10.630 0.476 170 HE1 PHE 27 HE1 PHE 27 9.364 -10.861 3.830 171 HE2 PHE 27 HE2 PHE 27 5.219 -10.584 2.872 172 HZ PHE 27 HZ PHE 27 7.016 -10.698 4.553 173 H CYS 28 H CYS 28 6.930 -13.170 -2.521 174 HA CYS 28 HA CYS 28 8.366 -13.046 -5.051 175 HB2 CYS 28 HB2 CYS 28 5.877 -14.424 -4.101 176 HB3 CYS 28 HB3 CYS 28 6.158 -14.214 -5.826 177 H GLY 29 H GLY 29 8.119 -11.430 -6.441 178 HA2 GLY 29 HA2 GLY 29 6.679 -9.146 -6.087 179 HA3 GLY 29 HA3 GLY 29 7.111 -9.762 -7.675 180 H CYS 30 H CYS 30 4.777 -8.270 -7.106 181 HA CYS 30 HA CYS 30 2.480 -9.808 -6.689 182 HB2 CYS 30 HB2 CYS 30 2.888 -7.265 -8.269 183 HB3 CYS 30 HB3 CYS 30 1.305 -7.957 -7.932 184 H ASP 31 H ASP 31 4.580 -9.621 -9.393 185 HA ASP 31 HA ASP 31 2.660 -10.571 -11.324 186 HB2 ASP 31 HB2 ASP 31 4.900 -9.167 -11.644 187 HB3 ASP 31 HB3 ASP 31 5.592 -10.778 -11.819 188 H ARG 32 H ARG 32 4.503 -11.977 -8.881 189 HA ARG 32 HA ARG 32 4.942 -14.125 -8.274 190 HB2 ARG 32 HB2 ARG 32 2.908 -14.885 -10.375 191 HB3 ARG 32 HB3 ARG 32 3.406 -15.842 -8.987 192 HG2 ARG 32 HG2 ARG 32 1.894 -14.875 -7.687 193 HG3 ARG 32 HG3 ARG 32 2.435 -13.262 -8.155 194 HD2 ARG 32 HD2 ARG 32 0.354 -13.138 -9.029 195 HD3 ARG 32 HD3 ARG 32 1.124 -13.957 -10.388 196 HE ARG 32 HE ARG 32 0.181 -15.879 -8.569 197 HH11 ARG 32 HH11 ARG 32 -1.006 -13.524 -10.842 198 HH12 ARG 32 HH12 ARG 32 -2.464 -14.396 -11.183 199 HH21 ARG 32 HH21 ARG 32 -1.735 -17.036 -9.009 200 HH22 ARG 32 HH22 ARG 32 -2.878 -16.393 -10.139 201 H THR 33 H THR 33 6.134 -12.825 -10.815 202 HA THR 33 HA THR 33 7.251 -15.304 -11.955 203 HB THR 33 HB THR 33 5.990 -13.996 -13.612 204 HG1 THR 33 HG1 THR 33 8.729 -13.666 -14.238 205 HG21 THR 33 HG21 THR 33 7.827 -11.828 -13.984 206 HG22 THR 33 HG22 THR 33 7.205 -11.796 -12.334 207 HG23 THR 33 HG23 THR 33 6.089 -11.772 -13.698 208 H GLY 34 H GLY 34 7.946 -12.903 -9.854 209 HA2 GLY 34 HA2 GLY 34 10.812 -13.318 -10.186 210 HA3 GLY 34 HA3 GLY 34 10.250 -11.657 -10.302 211 H ILE 35 H ILE 35 12.009 -13.032 -8.328 212 HA ILE 35 HA ILE 35 10.421 -12.596 -5.888 213 HB ILE 35 HB ILE 35 13.066 -14.030 -6.144 214 HG12 ILE 35 HG12 ILE 35 10.259 -15.129 -5.880 215 HG13 ILE 35 HG13 ILE 35 11.299 -15.267 -7.293 216 HG21 ILE 35 HG21 ILE 35 11.126 -13.921 -3.839 217 HG22 ILE 35 HG22 ILE 35 12.679 -14.755 -3.874 218 HG23 ILE 35 HG23 ILE 35 12.622 -12.994 -3.947 219 HD11 ILE 35 HD11 ILE 35 12.806 -16.319 -5.218 220 HD12 ILE 35 HD12 ILE 35 11.169 -16.912 -4.934 221 HD13 ILE 35 HD13 ILE 35 11.961 -17.214 -6.480 222 H VAL 36 H VAL 36 10.883 -10.943 -4.577 223 HA VAL 36 HA VAL 36 13.402 -9.477 -5.025 224 HB VAL 36 HB VAL 36 12.289 -7.395 -4.570 225 HG11 VAL 36 HG11 VAL 36 10.246 -8.281 -6.411 226 HG12 VAL 36 HG12 VAL 36 11.626 -7.217 -6.687 227 HG13 VAL 36 HG13 VAL 36 11.820 -8.965 -6.818 228 HG21 VAL 36 HG21 VAL 36 9.568 -7.905 -4.571 229 HG22 VAL 36 HG22 VAL 36 10.232 -9.136 -3.496 230 HG23 VAL 36 HG23 VAL 36 10.544 -7.429 -3.181 231 H GLU 37 H GLU 37 14.489 -8.704 -3.239 232 HA GLU 37 HA GLU 37 13.423 -9.535 -0.620 233 HB2 GLU 37 HB2 GLU 37 15.274 -10.981 -1.276 234 HB3 GLU 37 HB3 GLU 37 16.293 -9.579 -1.568 235 HG2 GLU 37 HG2 GLU 37 16.245 -9.015 0.784 236 HG3 GLU 37 HG3 GLU 37 15.147 -10.355 1.104 237 H CYS 38 H CYS 38 13.901 -8.213 1.168 238 HA CYS 38 HA CYS 38 13.938 -5.433 0.610 239 HB2 CYS 38 HB2 CYS 38 12.748 -6.191 2.544 240 HB3 CYS 38 HB3 CYS 38 14.180 -6.988 3.188 241 H LYS 39 H LYS 39 15.752 -4.633 -0.299 242 HA LYS 39 HA LYS 39 18.248 -4.922 1.236 243 HB2 LYS 39 HB2 LYS 39 17.756 -5.305 -1.675 244 HB3 LYS 39 HB3 LYS 39 19.260 -4.527 -1.201 245 HG2 LYS 39 HG2 LYS 39 19.746 -6.468 0.261 246 HG3 LYS 39 HG3 LYS 39 18.295 -7.254 -0.367 247 HD2 LYS 39 HD2 LYS 39 20.665 -6.361 -2.009 248 HD3 LYS 39 HD3 LYS 39 20.317 -8.022 -1.522 249 HE2 LYS 39 HE2 LYS 39 18.167 -7.876 -2.749 250 HE3 LYS 39 HE3 LYS 39 18.631 -6.269 -3.307 251 HZ1 LYS 39 HZ1 LYS 39 20.186 -8.740 -3.842 252 HZ2 LYS 39 HZ2 LYS 39 20.487 -7.200 -4.471 253 HZ3 LYS 39 HZ3 LYS 39 19.095 -8.044 -4.931 254 H GLY 40 H GLY 40 19.399 -3.082 1.589 255 HA2 GLY 40 HA2 GLY 40 19.835 -0.834 1.738 256 HA3 GLY 40 HA3 GLY 40 19.307 -0.740 0.064 257 H GLY 41 H GLY 41 17.043 -1.965 2.347 258 HA2 GLY 41 HA2 GLY 41 15.288 -0.929 3.484 259 HA3 GLY 41 HA3 GLY 41 15.864 0.627 2.906 260 H LYS 42 H LYS 42 15.734 -1.442 0.320 261 HA LYS 42 HA LYS 42 12.929 -0.833 -0.289 262 HB2 LYS 42 HB2 LYS 42 13.438 0.049 -2.438 263 HB3 LYS 42 HB3 LYS 42 14.475 0.891 -1.294 264 HG2 LYS 42 HG2 LYS 42 16.204 0.355 -2.565 265 HG3 LYS 42 HG3 LYS 42 15.941 -1.336 -2.135 266 HD2 LYS 42 HD2 LYS 42 15.996 -1.152 -4.530 267 HD3 LYS 42 HD3 LYS 42 14.341 -1.508 -4.031 268 HE2 LYS 42 HE2 LYS 42 14.151 0.176 -5.662 269 HE3 LYS 42 HE3 LYS 42 13.936 0.997 -4.117 270 HZ1 LYS 42 HZ1 LYS 42 15.666 2.287 -4.551 271 HZ2 LYS 42 HZ2 LYS 42 15.759 1.613 -6.100 272 HZ3 LYS 42 HZ3 LYS 42 16.672 0.957 -4.837 273 H TRP 43 H TRP 43 11.908 -2.281 -1.671 274 HA TRP 43 HA TRP 43 12.947 -4.928 -1.668 275 HB2 TRP 43 HB2 TRP 43 10.518 -3.678 -2.949 276 HB3 TRP 43 HB3 TRP 43 10.901 -5.389 -3.118 277 HD1 TRP 43 HD1 TRP 43 9.042 -3.074 -0.945 278 HE1 TRP 43 HE1 TRP 43 8.342 -4.237 1.242 279 HE3 TRP 43 HE3 TRP 43 11.980 -7.246 -1.268 280 HZ2 TRP 43 HZ2 TRP 43 8.954 -6.609 2.645 281 HZ3 TRP 43 HZ3 TRP 43 11.863 -8.913 0.538 282 HH2 TRP 43 HH2 TRP 43 10.382 -8.599 2.453 283 H THR 44 H THR 44 14.421 -5.709 -3.008 284 HA THR 44 HA THR 44 14.488 -4.697 -5.776 285 HB THR 44 HB THR 44 16.912 -5.719 -4.303 286 HG1 THR 44 HG1 THR 44 17.426 -3.464 -4.045 287 HG21 THR 44 HG21 THR 44 17.950 -4.154 -6.114 288 HG22 THR 44 HG22 THR 44 16.394 -4.359 -6.917 289 HG23 THR 44 HG23 THR 44 17.398 -5.765 -6.567 290 H GLU 45 H GLU 45 14.654 -6.169 -7.408 291 HA GLU 45 HA GLU 45 13.852 -8.832 -6.897 292 HB2 GLU 45 HB2 GLU 45 13.556 -7.376 -9.029 293 HB3 GLU 45 HB3 GLU 45 15.149 -7.977 -9.466 294 HG2 GLU 45 HG2 GLU 45 14.342 -10.260 -9.379 295 HG3 GLU 45 HG3 GLU 45 12.754 -9.697 -8.863 296 H ILE 46 H ILE 46 14.990 -10.620 -6.502 297 HA ILE 46 HA ILE 46 17.911 -10.514 -6.884 298 HB ILE 46 HB ILE 46 18.108 -12.081 -4.977 299 HG12 ILE 46 HG12 ILE 46 15.185 -11.453 -4.515 300 HG13 ILE 46 HG13 ILE 46 15.791 -12.985 -5.134 301 HG21 ILE 46 HG21 ILE 46 17.284 -9.296 -4.845 302 HG22 ILE 46 HG22 ILE 46 16.973 -10.173 -3.348 303 HG23 ILE 46 HG23 ILE 46 18.603 -10.127 -4.020 304 HD11 ILE 46 HD11 ILE 46 16.471 -13.681 -3.109 305 HD12 ILE 46 HD12 ILE 46 16.968 -12.067 -2.598 306 HD13 ILE 46 HD13 ILE 46 15.265 -12.522 -2.550 307 H GLN 47 H GLN 47 15.011 -12.106 -7.636 308 HA GLN 47 HA GLN 47 16.458 -14.100 -9.166 309 HB2 GLN 47 HB2 GLN 47 15.910 -15.008 -6.806 310 HB3 GLN 47 HB3 GLN 47 14.247 -15.067 -7.376 311 HG2 GLN 47 HG2 GLN 47 15.444 -16.343 -9.398 312 HG3 GLN 47 HG3 GLN 47 16.564 -16.743 -8.097 313 HE21 GLN 47 HE21 GLN 47 13.327 -17.090 -9.306 314 HE22 GLN 47 HE22 GLN 47 12.849 -18.365 -8.244 315 H ASP 48 H ASP 48 15.203 -15.064 -10.828 316 HA ASP 48 HA ASP 48 12.652 -13.682 -11.351 317 HB2 ASP 48 HB2 ASP 48 14.657 -13.056 -12.820 318 HB3 ASP 48 HB3 ASP 48 14.513 -14.673 -13.505 319 H CYS 49 H CYS 49 11.132 -15.152 -10.877 320 HA CYS 49 HA CYS 49 11.403 -17.933 -11.061 321 HB2 CYS 49 HB2 CYS 49 9.233 -16.025 -10.565 322 HB3 CYS 49 HB3 CYS 49 8.697 -17.515 -11.334 323 H GLY 50 H GLY 50 10.448 -15.538 -13.422 324 HA2 GLY 50 HA2 GLY 50 10.628 -15.870 -15.753 325 HA3 GLY 50 HA3 GLY 50 10.553 -17.605 -15.489 326 H GLY 51 H GLY 51 8.243 -17.732 -13.902 327 HA2 GLY 51 HA2 GLY 51 6.179 -16.674 -15.729 328 HA3 GLY 51 HA3 GLY 51 6.152 -18.346 -15.189 329 H ALA 52 H ALA 52 4.162 -16.210 -14.842 330 HA ALA 52 HA ALA 52 4.193 -15.322 -12.145 331 HB1 ALA 52 HB1 ALA 52 2.869 -14.053 -13.595 332 HB2 ALA 52 HB2 ALA 52 2.055 -15.478 -14.244 333 HB3 ALA 52 HB3 ALA 52 1.706 -14.934 -12.603 334 H SER 53 H SER 53 4.731 -17.329 -11.059 335 HA SER 53 HA SER 53 2.334 -18.749 -10.237 336 HB2 SER 53 HB2 SER 53 3.109 -20.140 -12.078 337 HB3 SER 53 HB3 SER 53 4.735 -20.187 -11.396 338 HG SER 53 HG SER 53 2.379 -21.417 -10.461 339 H CYS 54 H CYS 54 4.862 -17.043 -9.374 340 HA CYS 54 HA CYS 54 6.006 -18.642 -7.282 341 HB2 CYS 54 HB2 CYS 54 7.058 -16.636 -8.563 342 HB3 CYS 54 HB3 CYS 54 6.185 -15.646 -7.398 343 H ARG 55 H ARG 55 5.205 -18.976 -5.321 344 HA ARG 55 HA ARG 55 3.430 -16.971 -4.131 345 HB2 ARG 55 HB2 ARG 55 2.538 -19.439 -5.176 346 HB3 ARG 55 HB3 ARG 55 2.513 -19.602 -3.425 347 HG2 ARG 55 HG2 ARG 55 1.100 -17.529 -5.084 348 HG3 ARG 55 HG3 ARG 55 0.374 -18.830 -4.137 349 HD2 ARG 55 HD2 ARG 55 1.452 -17.763 -2.107 350 HD3 ARG 55 HD3 ARG 55 1.804 -16.378 -3.140 351 HE ARG 55 HE ARG 55 -0.964 -17.206 -3.111 352 HH11 ARG 55 HH11 ARG 55 1.474 -15.167 -1.690 353 HH12 ARG 55 HH12 ARG 55 0.335 -14.026 -1.056 354 HH21 ARG 55 HH21 ARG 55 -2.473 -15.711 -2.281 355 HH22 ARG 55 HH22 ARG 55 -1.910 -14.337 -1.392 356 H GLY 56 H GLY 56 3.688 -16.697 -1.968 357 HA2 GLY 56 HA2 GLY 56 5.385 -18.642 -0.541 358 HA3 GLY 56 HA3 GLY 56 5.754 -16.925 -0.477 359 H VAL 57 H VAL 57 5.559 -17.338 1.872 360 HA VAL 57 HA VAL 57 2.744 -17.308 2.746 361 HB VAL 57 HB VAL 57 3.624 -17.995 4.985 362 HG11 VAL 57 HG11 VAL 57 2.798 -19.533 3.035 363 HG12 VAL 57 HG12 VAL 57 4.480 -20.068 3.018 364 HG13 VAL 57 HG13 VAL 57 3.515 -20.237 4.485 365 HG21 VAL 57 HG21 VAL 57 5.993 -17.192 4.343 366 HG22 VAL 57 HG22 VAL 57 5.830 -18.647 5.326 367 HG23 VAL 57 HG23 VAL 57 6.161 -18.782 3.599 368 H SER 58 H SER 58 2.407 -16.072 4.827 369 HA SER 58 HA SER 58 3.099 -13.379 4.448 370 HB2 SER 58 HB2 SER 58 1.157 -14.521 5.829 371 HB3 SER 58 HB3 SER 58 2.303 -14.359 7.160 372 HG SER 58 HG SER 58 1.847 -12.318 7.230 373 H GLN 59 H GLN 59 4.823 -15.937 5.887 374 HA GLN 59 HA GLN 59 6.516 -14.140 7.455 375 HB2 GLN 59 HB2 GLN 59 6.542 -17.156 7.244 376 HB3 GLN 59 HB3 GLN 59 7.541 -16.198 8.329 377 HG2 GLN 59 HG2 GLN 59 5.884 -15.899 9.803 378 HG3 GLN 59 HG3 GLN 59 4.665 -15.689 8.548 379 HE21 GLN 59 HE21 GLN 59 3.818 -17.601 7.530 380 HE22 GLN 59 HE22 GLN 59 3.758 -19.086 8.410 381 H GLY 60 H GLY 60 6.369 -14.704 4.366 382 HA2 GLY 60 HA2 GLY 60 8.064 -14.108 2.831 383 HA3 GLY 60 HA3 GLY 60 9.272 -14.553 4.028 384 H GLY 61 H GLY 61 10.476 -16.136 3.211 385 HA2 GLY 61 HA2 GLY 61 11.074 -18.097 2.174 386 HA3 GLY 61 HA3 GLY 61 9.567 -18.726 2.823 387 H ALA 62 H ALA 62 9.833 -16.108 0.487 388 HA ALA 62 HA ALA 62 7.875 -17.021 -1.226 389 HB1 ALA 62 HB1 ALA 62 9.883 -15.656 -2.748 390 HB2 ALA 62 HB2 ALA 62 8.296 -15.087 -2.229 391 HB3 ALA 62 HB3 ALA 62 9.695 -14.884 -1.174 392 H ARG 63 H ARG 63 7.728 -18.629 -2.646 393 HA ARG 63 HA ARG 63 10.183 -19.735 -3.814 394 HB2 ARG 63 HB2 ARG 63 9.279 -22.027 -3.506 395 HB3 ARG 63 HB3 ARG 63 9.646 -21.219 -1.988 396 HG2 ARG 63 HG2 ARG 63 6.888 -20.871 -2.916 397 HG3 ARG 63 HG3 ARG 63 7.338 -22.533 -2.527 398 HD2 ARG 63 HD2 ARG 63 8.406 -21.163 -0.428 399 HD3 ARG 63 HD3 ARG 63 6.959 -20.216 -0.771 400 HE ARG 63 HE ARG 63 7.077 -22.888 0.303 401 HH11 ARG 63 HH11 ARG 63 5.125 -20.527 -1.351 402 HH12 ARG 63 HH12 ARG 63 3.622 -21.239 -0.866 403 HH21 ARG 63 HH21 ARG 63 5.105 -23.835 0.947 404 HH22 ARG 63 HH22 ARG 63 3.611 -23.120 0.441 405 H CYS 64 H CYS 64 9.933 -20.706 -5.853 406 HA CYS 64 HA CYS 64 7.887 -19.561 -7.467 407 HB2 CYS 64 HB2 CYS 64 10.386 -20.495 -7.971 408 HB3 CYS 64 HB3 CYS 64 9.416 -21.835 -8.573 Start of MODEL 13 1 H1 ASP 1 H ASP 1 0.521 0.005 0.070 2 HA ASP 1 HA ASP 1 1.603 0.482 -1.921 3 HB2 ASP 1 HB2 ASP 1 4.282 0.665 -0.610 4 HB3 ASP 1 HB3 ASP 1 3.652 1.546 -2.000 5 H THR 2 H THR 2 1.606 -2.036 -0.072 6 HA THR 2 HA THR 2 3.788 -3.645 -0.785 7 HB THR 2 HB THR 2 1.791 -5.477 -0.498 8 HG1 THR 2 HG1 THR 2 0.580 -4.394 1.350 9 HG21 THR 2 HG21 THR 2 2.471 -4.628 2.119 10 HG22 THR 2 HG22 THR 2 3.876 -4.349 1.089 11 HG23 THR 2 HG23 THR 2 3.161 -5.958 1.190 12 H CYS 3 H CYS 3 0.943 -2.731 -2.536 13 HA CYS 3 HA CYS 3 1.947 -3.728 -4.985 14 HB2 CYS 3 HB2 CYS 3 1.117 -5.848 -3.834 15 HB3 CYS 3 HB3 CYS 3 -0.507 -5.193 -4.021 16 H GLY 4 H GLY 4 0.675 -1.375 -3.649 17 HA2 GLY 4 HA2 GLY 4 -0.748 0.334 -4.215 18 HA3 GLY 4 HA3 GLY 4 -0.701 -0.329 -5.842 19 H GLY 5 H GLY 5 -1.824 -2.444 -3.387 20 HA2 GLY 5 HA2 GLY 5 -4.166 -2.463 -2.606 21 HA3 GLY 5 HA3 GLY 5 -4.610 -1.903 -4.212 22 H GLY 6 H GLY 6 -4.804 -4.492 -2.325 23 HA2 GLY 6 HA2 GLY 6 -5.504 -6.634 -2.898 24 HA3 GLY 6 HA3 GLY 6 -5.116 -6.281 -4.576 25 H TYR 7 H TYR 7 -2.730 -5.692 -2.141 26 HA TYR 7 HA TYR 7 -0.845 -7.395 -3.387 27 HB2 TYR 7 HB2 TYR 7 0.679 -6.696 -1.718 28 HB3 TYR 7 HB3 TYR 7 -0.377 -5.314 -1.991 29 HD1 TYR 7 HD1 TYR 7 0.955 -7.569 0.432 30 HD2 TYR 7 HD2 TYR 7 -2.326 -4.979 -0.358 31 HE1 TYR 7 HE1 TYR 7 0.438 -7.500 2.836 32 HE2 TYR 7 HE2 TYR 7 -2.851 -4.901 2.044 33 HH TYR 7 HH TYR 7 -1.349 -7.013 4.322 34 H GLY 8 H GLY 8 0.168 -9.286 -2.563 35 HA2 GLY 8 HA2 GLY 8 -1.706 -11.027 -1.171 36 HA3 GLY 8 HA3 GLY 8 -0.229 -11.522 -1.984 37 H VAL 9 H VAL 9 -0.249 -12.815 0.132 38 HA VAL 9 HA VAL 9 0.569 -11.373 2.493 39 HB VAL 9 HB VAL 9 0.940 -13.672 3.440 40 HG11 VAL 9 HG11 VAL 9 -1.288 -13.942 3.928 41 HG12 VAL 9 HG12 VAL 9 -1.283 -12.282 3.328 42 HG13 VAL 9 HG13 VAL 9 -1.804 -13.600 2.277 43 HG21 VAL 9 HG21 VAL 9 0.825 -14.385 0.703 44 HG22 VAL 9 HG22 VAL 9 1.076 -15.436 2.096 45 HG23 VAL 9 HG23 VAL 9 -0.557 -15.131 1.505 46 H ASP 10 H ASP 10 2.099 -13.151 -0.099 47 HA ASP 10 HA ASP 10 4.722 -12.629 1.138 48 HB2 ASP 10 HB2 ASP 10 5.460 -14.672 0.513 49 HB3 ASP 10 HB3 ASP 10 3.746 -15.068 0.416 50 H GLN 11 H GLN 11 2.816 -11.167 -0.866 51 HA GLN 11 HA GLN 11 4.788 -10.744 -3.003 52 HB2 GLN 11 HB2 GLN 11 1.946 -9.750 -3.015 53 HB3 GLN 11 HB3 GLN 11 3.033 -9.959 -4.382 54 HG2 GLN 11 HG2 GLN 11 2.960 -12.474 -3.672 55 HG3 GLN 11 HG3 GLN 11 1.460 -11.992 -2.881 56 HE21 GLN 11 HE21 GLN 11 2.243 -13.638 -5.344 57 HE22 GLN 11 HE22 GLN 11 1.175 -13.056 -6.570 58 H ARG 12 H ARG 12 5.615 -8.738 -3.435 59 HA ARG 12 HA ARG 12 4.728 -6.489 -1.777 60 HB2 ARG 12 HB2 ARG 12 7.534 -7.569 -1.967 61 HB3 ARG 12 HB3 ARG 12 7.206 -5.910 -1.487 62 HG2 ARG 12 HG2 ARG 12 5.946 -8.236 -0.077 63 HG3 ARG 12 HG3 ARG 12 7.547 -7.633 0.357 64 HD2 ARG 12 HD2 ARG 12 6.687 -5.513 0.961 65 HD3 ARG 12 HD3 ARG 12 5.126 -5.856 0.215 66 HE ARG 12 HE ARG 12 5.277 -7.754 2.106 67 HH11 ARG 12 HH11 ARG 12 5.809 -4.314 2.203 68 HH12 ARG 12 HH12 ARG 12 5.303 -4.151 3.853 69 HH21 ARG 12 HH21 ARG 12 4.610 -7.552 4.278 70 HH22 ARG 12 HH22 ARG 12 4.622 -5.993 5.032 71 H ARG 13 H ARG 13 5.574 -4.395 -2.554 72 HA ARG 13 HA ARG 13 5.543 -4.350 -5.464 73 HB2 ARG 13 HB2 ARG 13 4.099 -2.842 -4.022 74 HB3 ARG 13 HB3 ARG 13 5.573 -1.982 -3.595 75 HG2 ARG 13 HG2 ARG 13 4.964 -0.679 -5.325 76 HG3 ARG 13 HG3 ARG 13 5.788 -1.925 -6.264 77 HD2 ARG 13 HD2 ARG 13 3.360 -3.032 -6.129 78 HD3 ARG 13 HD3 ARG 13 2.898 -1.336 -5.999 79 HE ARG 13 HE ARG 13 4.599 -1.395 -8.121 80 HH11 ARG 13 HH11 ARG 13 1.691 -3.114 -7.280 81 HH12 ARG 13 HH12 ARG 13 1.188 -3.331 -8.923 82 HH21 ARG 13 HH21 ARG 13 3.948 -1.674 -10.289 83 HH22 ARG 13 HH22 ARG 13 2.473 -2.513 -10.634 84 H THR 14 H THR 14 7.243 -3.880 -6.721 85 HA THR 14 HA THR 14 9.861 -3.835 -5.607 86 HB THR 14 HB THR 14 9.157 -3.100 -8.447 87 HG1 THR 14 HG1 THR 14 8.425 -5.070 -8.629 88 HG21 THR 14 HG21 THR 14 11.601 -3.509 -6.999 89 HG22 THR 14 HG22 THR 14 11.371 -3.011 -8.675 90 HG23 THR 14 HG23 THR 14 11.448 -4.725 -8.267 91 H ASN 15 H ASN 15 11.385 -2.180 -5.574 92 HA ASN 15 HA ASN 15 12.195 -0.055 -5.431 93 HB2 ASN 15 HB2 ASN 15 9.797 0.969 -6.932 94 HB3 ASN 15 HB3 ASN 15 11.441 1.600 -6.919 95 HD21 ASN 15 HD21 ASN 15 12.884 -0.697 -7.365 96 HD22 ASN 15 HD22 ASN 15 12.541 -1.289 -8.951 97 H SER 16 H SER 16 9.985 -1.234 -3.685 98 HA SER 16 HA SER 16 8.994 1.280 -2.517 99 HB2 SER 16 HB2 SER 16 7.019 0.259 -2.226 100 HB3 SER 16 HB3 SER 16 7.653 -1.112 -3.135 101 HG SER 16 HG SER 16 7.435 -0.752 -0.366 102 HA PRO 17 HA PRO 17 11.510 0.769 1.045 103 HB2 PRO 17 HB2 PRO 17 9.930 1.892 2.945 104 HB3 PRO 17 HB3 PRO 17 10.767 2.839 1.709 105 HG2 PRO 17 HG2 PRO 17 7.915 1.933 1.792 106 HG3 PRO 17 HG3 PRO 17 8.575 3.509 1.317 107 HD2 PRO 17 HD2 PRO 17 7.812 1.643 -0.491 108 HD3 PRO 17 HD3 PRO 17 9.148 2.773 -0.791 109 H CYS 18 H CYS 18 11.913 -0.805 2.488 110 HA CYS 18 HA CYS 18 9.643 -2.435 3.426 111 HB2 CYS 18 HB2 CYS 18 11.335 -4.335 3.494 112 HB3 CYS 18 HB3 CYS 18 10.825 -3.804 1.895 113 H GLN 19 H GLN 19 10.264 -3.754 5.420 114 HA GLN 19 HA GLN 19 11.253 -1.903 7.403 115 HB2 GLN 19 HB2 GLN 19 9.708 -4.406 7.387 116 HB3 GLN 19 HB3 GLN 19 10.793 -4.228 8.761 117 HG2 GLN 19 HG2 GLN 19 8.663 -2.274 7.922 118 HG3 GLN 19 HG3 GLN 19 8.571 -3.399 9.276 119 HE21 GLN 19 HE21 GLN 19 8.126 -0.895 9.908 120 HE22 GLN 19 HE22 GLN 19 9.478 -0.171 10.703 121 H ALA 20 H ALA 20 12.760 -2.721 9.129 122 HA ALA 20 HA ALA 20 15.231 -3.443 7.965 123 HB1 ALA 20 HB1 ALA 20 14.692 -3.698 10.899 124 HB2 ALA 20 HB2 ALA 20 16.159 -3.169 10.074 125 HB3 ALA 20 HB3 ALA 20 14.747 -2.113 10.126 126 H SER 21 H SER 21 12.859 -5.261 9.862 127 HA SER 21 HA SER 21 14.400 -7.636 10.048 128 HB2 SER 21 HB2 SER 21 12.298 -8.698 10.763 129 HB3 SER 21 HB3 SER 21 12.544 -7.159 11.587 130 HG SER 21 HG SER 21 10.969 -6.250 10.395 131 H ASN 22 H ASN 22 12.344 -6.297 7.602 132 HA ASN 22 HA ASN 22 11.733 -8.666 6.193 133 HB2 ASN 22 HB2 ASN 22 11.818 -5.757 5.434 134 HB3 ASN 22 HB3 ASN 22 11.486 -6.995 4.226 135 HD21 ASN 22 HD21 ASN 22 10.517 -6.824 7.619 136 HD22 ASN 22 HD22 ASN 22 8.816 -6.833 7.316 137 H GLY 23 H GLY 23 14.625 -6.863 6.505 138 HA2 GLY 23 HA2 GLY 23 15.861 -7.389 4.033 139 HA3 GLY 23 HA3 GLY 23 16.699 -7.067 5.543 140 H ASP 24 H ASP 24 15.046 -9.513 6.562 141 HA ASP 24 HA ASP 24 16.953 -11.520 5.554 142 HB2 ASP 24 HB2 ASP 24 15.696 -11.152 8.267 143 HB3 ASP 24 HB3 ASP 24 16.411 -12.686 7.779 144 H ARG 25 H ARG 25 14.467 -10.891 4.268 145 HA ARG 25 HA ARG 25 13.250 -13.542 4.376 146 HB2 ARG 25 HB2 ARG 25 11.454 -11.137 4.288 147 HB3 ARG 25 HB3 ARG 25 11.048 -12.804 4.673 148 HG2 ARG 25 HG2 ARG 25 12.366 -12.573 6.771 149 HG3 ARG 25 HG3 ARG 25 12.567 -10.860 6.395 150 HD2 ARG 25 HD2 ARG 25 10.392 -10.363 6.851 151 HD3 ARG 25 HD3 ARG 25 9.811 -11.951 6.351 152 HE ARG 25 HE ARG 25 10.466 -11.145 8.985 153 HH11 ARG 25 HH11 ARG 25 10.656 -13.861 6.815 154 HH12 ARG 25 HH12 ARG 25 10.632 -15.042 8.083 155 HH21 ARG 25 HH21 ARG 25 10.433 -12.690 10.663 156 HH22 ARG 25 HH22 ARG 25 10.504 -14.375 10.271 157 H HIS 26 H HIS 26 11.684 -13.836 2.519 158 HA HIS 26 HA HIS 26 12.522 -12.253 0.182 159 HB2 HIS 26 HB2 HIS 26 12.289 -15.249 0.436 160 HB3 HIS 26 HB3 HIS 26 12.290 -14.434 -1.125 161 HD1 HIS 26 HD1 HIS 26 14.516 -16.423 -0.378 162 HD2 HIS 26 HD2 HIS 26 14.767 -12.314 0.188 163 HE1 HIS 26 HE1 HIS 26 16.976 -15.903 -0.303 164 H PHE 27 H PHE 27 10.961 -11.776 -1.316 165 HA PHE 27 HA PHE 27 8.261 -12.832 -0.851 166 HB2 PHE 27 HB2 PHE 27 9.094 -9.945 -1.010 167 HB3 PHE 27 HB3 PHE 27 7.455 -10.445 -1.415 168 HD1 PHE 27 HD1 PHE 27 9.969 -10.897 1.304 169 HD2 PHE 27 HD2 PHE 27 5.876 -10.396 0.248 170 HE1 PHE 27 HE1 PHE 27 9.365 -10.828 3.689 171 HE2 PHE 27 HE2 PHE 27 5.266 -10.326 2.630 172 HZ PHE 27 HZ PHE 27 7.011 -10.541 4.354 173 H CYS 28 H CYS 28 6.969 -13.031 -2.665 174 HA CYS 28 HA CYS 28 8.408 -12.896 -5.207 175 HB2 CYS 28 HB2 CYS 28 6.009 -14.405 -4.230 176 HB3 CYS 28 HB3 CYS 28 6.245 -14.168 -5.959 177 H GLY 29 H GLY 29 8.054 -11.310 -6.609 178 HA2 GLY 29 HA2 GLY 29 6.550 -9.080 -6.252 179 HA3 GLY 29 HA3 GLY 29 6.924 -9.719 -7.846 180 H CYS 30 H CYS 30 4.563 -8.285 -7.114 181 HA CYS 30 HA CYS 30 2.347 -9.891 -6.585 182 HB2 CYS 30 HB2 CYS 30 2.816 -7.200 -7.293 183 HB3 CYS 30 HB3 CYS 30 1.655 -7.822 -8.461 184 H ASP 31 H ASP 31 4.263 -9.600 -9.432 185 HA ASP 31 HA ASP 31 2.265 -10.715 -11.199 186 HB2 ASP 31 HB2 ASP 31 5.175 -9.999 -11.544 187 HB3 ASP 31 HB3 ASP 31 4.248 -10.803 -12.808 188 H ARG 32 H ARG 32 4.364 -11.942 -8.900 189 HA ARG 32 HA ARG 32 5.074 -14.032 -8.350 190 HB2 ARG 32 HB2 ARG 32 3.013 -15.040 -10.309 191 HB3 ARG 32 HB3 ARG 32 3.648 -15.870 -8.896 192 HG2 ARG 32 HG2 ARG 32 1.972 -15.078 -7.694 193 HG3 ARG 32 HG3 ARG 32 2.537 -13.434 -8.002 194 HD2 ARG 32 HD2 ARG 32 0.314 -13.463 -8.753 195 HD3 ARG 32 HD3 ARG 32 1.291 -13.593 -10.215 196 HE ARG 32 HE ARG 32 0.796 -16.171 -9.593 197 HH11 ARG 32 HH11 ARG 32 -1.253 -13.378 -9.947 198 HH12 ARG 32 HH12 ARG 32 -2.625 -14.291 -10.482 199 HH21 ARG 32 HH21 ARG 32 -1.004 -17.383 -10.296 200 HH22 ARG 32 HH22 ARG 32 -2.482 -16.569 -10.680 201 H THR 33 H THR 33 6.009 -12.623 -10.906 202 HA THR 33 HA THR 33 7.035 -14.947 -12.375 203 HB THR 33 HB THR 33 7.853 -13.149 -14.004 204 HG1 THR 33 HG1 THR 33 6.818 -11.141 -13.817 205 HG21 THR 33 HG21 THR 33 5.857 -14.605 -14.348 206 HG22 THR 33 HG22 THR 33 5.720 -13.022 -15.113 207 HG23 THR 33 HG23 THR 33 4.867 -13.349 -13.605 208 H GLY 34 H GLY 34 7.972 -12.495 -10.162 209 HA2 GLY 34 HA2 GLY 34 10.723 -13.497 -10.254 210 HA3 GLY 34 HA3 GLY 34 10.475 -11.767 -10.445 211 H ILE 35 H ILE 35 11.970 -13.035 -8.367 212 HA ILE 35 HA ILE 35 10.282 -12.505 -6.014 213 HB ILE 35 HB ILE 35 12.949 -13.883 -5.908 214 HG12 ILE 35 HG12 ILE 35 10.247 -15.155 -6.390 215 HG13 ILE 35 HG13 ILE 35 11.608 -15.144 -7.505 216 HG21 ILE 35 HG21 ILE 35 10.528 -14.081 -4.125 217 HG22 ILE 35 HG22 ILE 35 12.122 -14.774 -3.833 218 HG23 ILE 35 HG23 ILE 35 11.907 -13.023 -3.829 219 HD11 ILE 35 HD11 ILE 35 11.296 -16.651 -4.940 220 HD12 ILE 35 HD12 ILE 35 11.650 -17.264 -6.556 221 HD13 ILE 35 HD13 ILE 35 12.881 -16.373 -5.661 222 H VAL 36 H VAL 36 10.764 -10.872 -4.669 223 HA VAL 36 HA VAL 36 13.293 -9.424 -5.119 224 HB VAL 36 HB VAL 36 12.211 -7.340 -4.696 225 HG11 VAL 36 HG11 VAL 36 11.508 -7.236 -6.799 226 HG12 VAL 36 HG12 VAL 36 11.528 -9.000 -6.860 227 HG13 VAL 36 HG13 VAL 36 10.054 -8.148 -6.397 228 HG21 VAL 36 HG21 VAL 36 9.506 -7.727 -4.520 229 HG22 VAL 36 HG22 VAL 36 10.141 -9.046 -3.536 230 HG23 VAL 36 HG23 VAL 36 10.577 -7.379 -3.163 231 H GLU 37 H GLU 37 14.403 -8.670 -3.341 232 HA GLU 37 HA GLU 37 13.356 -9.506 -0.715 233 HB2 GLU 37 HB2 GLU 37 15.158 -10.983 -1.290 234 HB3 GLU 37 HB3 GLU 37 16.181 -9.636 -1.772 235 HG2 GLU 37 HG2 GLU 37 16.374 -8.892 0.498 236 HG3 GLU 37 HG3 GLU 37 15.201 -10.094 1.035 237 H CYS 38 H CYS 38 13.839 -8.189 1.068 238 HA CYS 38 HA CYS 38 13.895 -5.411 0.527 239 HB2 CYS 38 HB2 CYS 38 12.727 -6.178 2.473 240 HB3 CYS 38 HB3 CYS 38 14.168 -6.976 3.095 241 H LYS 39 H LYS 39 15.709 -4.648 -0.429 242 HA LYS 39 HA LYS 39 18.227 -4.967 1.067 243 HB2 LYS 39 HB2 LYS 39 17.640 -5.449 -1.769 244 HB3 LYS 39 HB3 LYS 39 19.046 -4.428 -1.496 245 HG2 LYS 39 HG2 LYS 39 20.172 -6.102 -0.305 246 HG3 LYS 39 HG3 LYS 39 18.701 -7.053 -0.087 247 HD2 LYS 39 HD2 LYS 39 18.711 -7.122 -2.702 248 HD3 LYS 39 HD3 LYS 39 20.425 -6.747 -2.507 249 HE2 LYS 39 HE2 LYS 39 20.302 -8.723 -0.764 250 HE3 LYS 39 HE3 LYS 39 18.907 -9.190 -1.736 251 HZ1 LYS 39 HZ1 LYS 39 21.224 -8.505 -3.298 252 HZ2 LYS 39 HZ2 LYS 39 20.209 -9.854 -3.404 253 HZ3 LYS 39 HZ3 LYS 39 21.474 -9.835 -2.281 254 H GLY 40 H GLY 40 19.451 -3.152 1.383 255 HA2 GLY 40 HA2 GLY 40 19.891 -0.911 1.606 256 HA3 GLY 40 HA3 GLY 40 19.323 -0.766 -0.050 257 H GLY 41 H GLY 41 17.104 -2.033 2.254 258 HA2 GLY 41 HA2 GLY 41 15.402 -0.998 3.477 259 HA3 GLY 41 HA3 GLY 41 15.959 0.562 2.888 260 H LYS 42 H LYS 42 15.746 -1.467 0.285 261 HA LYS 42 HA LYS 42 12.915 -0.876 -0.214 262 HB2 LYS 42 HB2 LYS 42 13.372 -0.012 -2.413 263 HB3 LYS 42 HB3 LYS 42 14.324 0.900 -1.249 264 HG2 LYS 42 HG2 LYS 42 16.143 0.458 -2.423 265 HG3 LYS 42 HG3 LYS 42 15.920 -1.263 -2.099 266 HD2 LYS 42 HD2 LYS 42 16.071 -0.869 -4.490 267 HD3 LYS 42 HD3 LYS 42 14.450 -1.425 -4.065 268 HE2 LYS 42 HE2 LYS 42 14.499 0.464 -5.695 269 HE3 LYS 42 HE3 LYS 42 13.572 0.791 -4.231 270 HZ1 LYS 42 HZ1 LYS 42 15.420 2.438 -5.227 271 HZ2 LYS 42 HZ2 LYS 42 16.363 1.563 -4.129 272 HZ3 LYS 42 HZ3 LYS 42 14.989 2.390 -3.591 273 H TRP 43 H TRP 43 11.871 -2.288 -1.634 274 HA TRP 43 HA TRP 43 12.899 -4.937 -1.681 275 HB2 TRP 43 HB2 TRP 43 10.474 -3.651 -2.931 276 HB3 TRP 43 HB3 TRP 43 10.850 -5.358 -3.146 277 HD1 TRP 43 HD1 TRP 43 8.994 -3.102 -0.916 278 HE1 TRP 43 HE1 TRP 43 8.300 -4.317 1.244 279 HE3 TRP 43 HE3 TRP 43 11.942 -7.257 -1.338 280 HZ2 TRP 43 HZ2 TRP 43 8.920 -6.718 2.591 281 HZ3 TRP 43 HZ3 TRP 43 11.832 -8.966 0.429 282 HH2 TRP 43 HH2 TRP 43 10.352 -8.700 2.353 283 H THR 44 H THR 44 14.361 -5.713 -3.038 284 HA THR 44 HA THR 44 14.412 -4.681 -5.798 285 HB THR 44 HB THR 44 16.790 -5.466 -4.102 286 HG1 THR 44 HG1 THR 44 15.976 -3.359 -3.687 287 HG21 THR 44 HG21 THR 44 16.555 -4.732 -7.014 288 HG22 THR 44 HG22 THR 44 17.287 -6.173 -6.307 289 HG23 THR 44 HG23 THR 44 18.069 -4.604 -6.120 290 H GLU 45 H GLU 45 14.547 -6.154 -7.420 291 HA GLU 45 HA GLU 45 13.812 -8.823 -6.918 292 HB2 GLU 45 HB2 GLU 45 13.536 -7.382 -9.061 293 HB3 GLU 45 HB3 GLU 45 15.146 -7.960 -9.466 294 HG2 GLU 45 HG2 GLU 45 14.399 -10.235 -9.458 295 HG3 GLU 45 HG3 GLU 45 12.813 -9.757 -8.856 296 H ILE 46 H ILE 46 14.971 -10.561 -6.415 297 HA ILE 46 HA ILE 46 17.888 -10.464 -6.828 298 HB ILE 46 HB ILE 46 18.152 -11.865 -4.832 299 HG12 ILE 46 HG12 ILE 46 15.224 -11.360 -4.289 300 HG13 ILE 46 HG13 ILE 46 15.825 -12.855 -4.997 301 HG21 ILE 46 HG21 ILE 46 18.323 -9.435 -4.640 302 HG22 ILE 46 HG22 ILE 46 16.595 -9.338 -4.304 303 HG23 ILE 46 HG23 ILE 46 17.670 -10.150 -3.166 304 HD11 ILE 46 HD11 ILE 46 15.407 -12.619 -2.415 305 HD12 ILE 46 HD12 ILE 46 16.756 -13.564 -3.045 306 HD13 ILE 46 HD13 ILE 46 17.028 -11.927 -2.449 307 H GLN 47 H GLN 47 14.991 -12.086 -7.478 308 HA GLN 47 HA GLN 47 16.447 -14.208 -8.835 309 HB2 GLN 47 HB2 GLN 47 15.744 -14.930 -6.450 310 HB3 GLN 47 HB3 GLN 47 14.112 -14.973 -7.106 311 HG2 GLN 47 HG2 GLN 47 15.532 -16.398 -8.962 312 HG3 GLN 47 HG3 GLN 47 16.322 -16.838 -7.448 313 HE21 GLN 47 HE21 GLN 47 13.271 -16.774 -9.168 314 HE22 GLN 47 HE22 GLN 47 12.500 -18.006 -8.234 315 H ASP 48 H ASP 48 15.238 -15.245 -10.489 316 HA ASP 48 HA ASP 48 12.753 -13.840 -11.223 317 HB2 ASP 48 HB2 ASP 48 14.719 -13.202 -12.636 318 HB3 ASP 48 HB3 ASP 48 14.836 -14.883 -13.151 319 H CYS 49 H CYS 49 11.085 -15.177 -11.107 320 HA CYS 49 HA CYS 49 11.418 -18.031 -11.168 321 HB2 CYS 49 HB2 CYS 49 9.253 -16.128 -10.555 322 HB3 CYS 49 HB3 CYS 49 8.719 -17.646 -11.270 323 H GLY 50 H GLY 50 10.582 -15.557 -13.439 324 HA2 GLY 50 HA2 GLY 50 10.544 -15.778 -15.762 325 HA3 GLY 50 HA3 GLY 50 10.537 -17.525 -15.571 326 H GLY 51 H GLY 51 8.340 -18.006 -14.061 327 HA2 GLY 51 HA2 GLY 51 6.166 -16.956 -15.765 328 HA3 GLY 51 HA3 GLY 51 6.201 -18.589 -15.116 329 H ALA 52 H ALA 52 4.145 -16.530 -14.840 330 HA ALA 52 HA ALA 52 4.256 -15.498 -12.176 331 HB1 ALA 52 HB1 ALA 52 2.949 -14.461 -14.018 332 HB2 ALA 52 HB2 ALA 52 1.830 -15.822 -13.935 333 HB3 ALA 52 HB3 ALA 52 2.010 -14.743 -12.551 334 H SER 53 H SER 53 4.827 -17.588 -11.160 335 HA SER 53 HA SER 53 2.400 -18.923 -10.237 336 HB2 SER 53 HB2 SER 53 4.386 -20.148 -11.969 337 HB3 SER 53 HB3 SER 53 4.232 -21.020 -10.444 338 HG SER 53 HG SER 53 2.684 -21.867 -11.729 339 H CYS 54 H CYS 54 4.951 -17.210 -9.430 340 HA CYS 54 HA CYS 54 6.096 -18.746 -7.299 341 HB2 CYS 54 HB2 CYS 54 7.141 -16.769 -8.614 342 HB3 CYS 54 HB3 CYS 54 6.239 -15.750 -7.497 343 H ARG 55 H ARG 55 5.294 -19.055 -5.335 344 HA ARG 55 HA ARG 55 3.489 -17.049 -4.188 345 HB2 ARG 55 HB2 ARG 55 2.616 -19.517 -5.188 346 HB3 ARG 55 HB3 ARG 55 2.670 -19.721 -3.442 347 HG2 ARG 55 HG2 ARG 55 1.145 -17.633 -4.979 348 HG3 ARG 55 HG3 ARG 55 0.482 -18.992 -4.069 349 HD2 ARG 55 HD2 ARG 55 1.894 -17.833 -2.123 350 HD3 ARG 55 HD3 ARG 55 1.578 -16.410 -3.114 351 HE ARG 55 HE ARG 55 -0.607 -16.482 -2.446 352 HH11 ARG 55 HH11 ARG 55 0.882 -19.557 -1.775 353 HH12 ARG 55 HH12 ARG 55 -0.482 -20.175 -0.905 354 HH21 ARG 55 HH21 ARG 55 -2.410 -17.285 -1.302 355 HH22 ARG 55 HH22 ARG 55 -2.354 -18.882 -0.637 356 H GLY 56 H GLY 56 3.638 -16.795 -1.988 357 HA2 GLY 56 HA2 GLY 56 5.458 -18.610 -0.547 358 HA3 GLY 56 HA3 GLY 56 5.721 -16.873 -0.490 359 H VAL 57 H VAL 57 5.533 -17.245 1.854 360 HA VAL 57 HA VAL 57 2.720 -17.419 2.717 361 HB VAL 57 HB VAL 57 3.687 -17.952 4.989 362 HG11 VAL 57 HG11 VAL 57 2.890 -19.583 3.063 363 HG12 VAL 57 HG12 VAL 57 4.579 -20.090 3.128 364 HG13 VAL 57 HG13 VAL 57 3.570 -20.192 4.572 365 HG21 VAL 57 HG21 VAL 57 6.204 -18.414 3.390 366 HG22 VAL 57 HG22 VAL 57 5.955 -17.105 4.545 367 HG23 VAL 57 HG23 VAL 57 5.968 -18.779 5.099 368 H SER 58 H SER 58 2.286 -16.179 4.783 369 HA SER 58 HA SER 58 2.700 -13.450 4.358 370 HB2 SER 58 HB2 SER 58 0.859 -14.502 5.729 371 HB3 SER 58 HB3 SER 58 2.039 -14.719 7.022 372 HG SER 58 HG SER 58 1.533 -12.756 7.554 373 H GLN 59 H GLN 59 4.688 -15.798 5.886 374 HA GLN 59 HA GLN 59 6.302 -13.758 7.223 375 HB2 GLN 59 HB2 GLN 59 6.575 -16.768 7.276 376 HB3 GLN 59 HB3 GLN 59 7.475 -15.629 8.269 377 HG2 GLN 59 HG2 GLN 59 5.894 -15.707 9.805 378 HG3 GLN 59 HG3 GLN 59 4.717 -15.106 8.638 379 HE21 GLN 59 HE21 GLN 59 3.028 -16.352 8.332 380 HE22 GLN 59 HE22 GLN 59 2.961 -18.062 8.566 381 H GLY 60 H GLY 60 6.103 -14.467 4.215 382 HA2 GLY 60 HA2 GLY 60 7.728 -13.901 2.597 383 HA3 GLY 60 HA3 GLY 60 8.987 -14.274 3.765 384 H GLY 61 H GLY 61 10.144 -16.001 3.258 385 HA2 GLY 61 HA2 GLY 61 10.761 -17.991 2.286 386 HA3 GLY 61 HA3 GLY 61 9.195 -18.558 2.848 387 H ALA 62 H ALA 62 9.587 -15.992 0.494 388 HA ALA 62 HA ALA 62 7.764 -16.951 -1.329 389 HB1 ALA 62 HB1 ALA 62 8.226 -14.920 -2.105 390 HB2 ALA 62 HB2 ALA 62 9.787 -14.893 -1.285 391 HB3 ALA 62 HB3 ALA 62 9.645 -15.616 -2.887 392 H ARG 63 H ARG 63 7.713 -18.642 -2.648 393 HA ARG 63 HA ARG 63 10.235 -19.710 -3.703 394 HB2 ARG 63 HB2 ARG 63 9.468 -22.004 -3.307 395 HB3 ARG 63 HB3 ARG 63 9.613 -21.111 -1.799 396 HG2 ARG 63 HG2 ARG 63 6.970 -21.218 -3.167 397 HG3 ARG 63 HG3 ARG 63 7.537 -22.626 -2.266 398 HD2 ARG 63 HD2 ARG 63 7.963 -21.021 -0.338 399 HD3 ARG 63 HD3 ARG 63 7.022 -19.843 -1.253 400 HE ARG 63 HE ARG 63 5.133 -20.934 -0.597 401 HH11 ARG 63 HH11 ARG 63 7.833 -23.111 -0.289 402 HH12 ARG 63 HH12 ARG 63 6.900 -24.371 0.448 403 HH21 ARG 63 HH21 ARG 63 3.894 -22.587 0.373 404 HH22 ARG 63 HH22 ARG 63 4.660 -24.072 0.823 405 H CYS 64 H CYS 64 10.077 -20.762 -5.712 406 HA CYS 64 HA CYS 64 7.984 -19.766 -7.395 407 HB2 CYS 64 HB2 CYS 64 10.575 -20.435 -7.838 408 HB3 CYS 64 HB3 CYS 64 9.767 -21.876 -8.449 Start of MODEL 14 1 H1 ASP 1 H ASP 1 1.916 -0.100 0.858 2 HA ASP 1 HA ASP 1 2.203 0.444 -2.020 3 HB2 ASP 1 HB2 ASP 1 4.572 0.392 -0.211 4 HB3 ASP 1 HB3 ASP 1 4.258 1.396 -1.624 5 H THR 2 H THR 2 1.608 -2.125 -0.401 6 HA THR 2 HA THR 2 3.873 -3.814 -0.936 7 HB THR 2 HB THR 2 1.861 -5.580 -0.515 8 HG1 THR 2 HG1 THR 2 0.669 -4.404 1.281 9 HG21 THR 2 HG21 THR 2 3.388 -5.950 1.076 10 HG22 THR 2 HG22 THR 2 2.507 -4.780 2.059 11 HG23 THR 2 HG23 THR 2 3.887 -4.260 1.093 12 H CYS 3 H CYS 3 0.980 -2.875 -2.608 13 HA CYS 3 HA CYS 3 1.867 -3.940 -5.069 14 HB2 CYS 3 HB2 CYS 3 1.087 -6.033 -3.842 15 HB3 CYS 3 HB3 CYS 3 -0.543 -5.378 -3.960 16 H GLY 4 H GLY 4 0.657 -1.555 -3.732 17 HA2 GLY 4 HA2 GLY 4 -0.777 0.149 -4.284 18 HA3 GLY 4 HA3 GLY 4 -0.819 -0.564 -5.890 19 H GLY 5 H GLY 5 -1.822 -2.602 -3.323 20 HA2 GLY 5 HA2 GLY 5 -4.111 -2.601 -2.415 21 HA3 GLY 5 HA3 GLY 5 -4.646 -2.048 -3.995 22 H GLY 6 H GLY 6 -4.757 -4.620 -2.081 23 HA2 GLY 6 HA2 GLY 6 -5.530 -6.751 -2.609 24 HA3 GLY 6 HA3 GLY 6 -5.197 -6.424 -4.303 25 H TYR 7 H TYR 7 -2.720 -5.852 -1.953 26 HA TYR 7 HA TYR 7 -0.922 -7.626 -3.247 27 HB2 TYR 7 HB2 TYR 7 0.697 -6.892 -1.690 28 HB3 TYR 7 HB3 TYR 7 -0.351 -5.502 -1.950 29 HD1 TYR 7 HD1 TYR 7 -2.193 -5.069 -0.226 30 HD2 TYR 7 HD2 TYR 7 1.068 -7.710 0.470 31 HE1 TYR 7 HE1 TYR 7 -2.586 -4.905 2.196 32 HE2 TYR 7 HE2 TYR 7 0.684 -7.555 2.895 33 HH TYR 7 HH TYR 7 -1.753 -6.857 4.330 34 H GLY 8 H GLY 8 0.040 -9.535 -2.463 35 HA2 GLY 8 HA2 GLY 8 -1.779 -11.174 -0.899 36 HA3 GLY 8 HA3 GLY 8 -0.349 -11.727 -1.757 37 H VAL 9 H VAL 9 -0.300 -12.944 0.402 38 HA VAL 9 HA VAL 9 0.627 -11.451 2.683 39 HB VAL 9 HB VAL 9 0.829 -13.560 3.810 40 HG11 VAL 9 HG11 VAL 9 -1.428 -14.449 3.552 41 HG12 VAL 9 HG12 VAL 9 -1.437 -12.685 3.516 42 HG13 VAL 9 HG13 VAL 9 -1.596 -13.599 2.016 43 HG21 VAL 9 HG21 VAL 9 0.442 -14.844 1.108 44 HG22 VAL 9 HG22 VAL 9 1.932 -14.831 2.052 45 HG23 VAL 9 HG23 VAL 9 0.518 -15.701 2.647 46 H ASP 10 H ASP 10 2.059 -13.290 0.075 47 HA ASP 10 HA ASP 10 4.728 -12.711 1.184 48 HB2 ASP 10 HB2 ASP 10 4.090 -15.151 0.951 49 HB3 ASP 10 HB3 ASP 10 4.074 -14.899 -0.792 50 H GLN 11 H GLN 11 2.882 -11.125 -0.611 51 HA GLN 11 HA GLN 11 4.706 -10.843 -2.908 52 HB2 GLN 11 HB2 GLN 11 1.832 -9.929 -2.786 53 HB3 GLN 11 HB3 GLN 11 2.871 -10.002 -4.203 54 HG2 GLN 11 HG2 GLN 11 2.968 -12.558 -3.578 55 HG3 GLN 11 HG3 GLN 11 1.443 -12.180 -2.779 56 HE21 GLN 11 HE21 GLN 11 2.362 -13.666 -5.320 57 HE22 GLN 11 HE22 GLN 11 1.254 -13.107 -6.521 58 H ARG 12 H ARG 12 5.661 -8.920 -3.280 59 HA ARG 12 HA ARG 12 4.793 -6.607 -1.687 60 HB2 ARG 12 HB2 ARG 12 7.573 -7.729 -1.956 61 HB3 ARG 12 HB3 ARG 12 7.297 -6.046 -1.529 62 HG2 ARG 12 HG2 ARG 12 6.094 -8.322 0.016 63 HG3 ARG 12 HG3 ARG 12 7.685 -7.652 0.381 64 HD2 ARG 12 HD2 ARG 12 6.785 -5.551 0.944 65 HD3 ARG 12 HD3 ARG 12 5.230 -5.931 0.204 66 HE ARG 12 HE ARG 12 5.403 -7.773 2.152 67 HH11 ARG 12 HH11 ARG 12 5.864 -4.322 2.140 68 HH12 ARG 12 HH12 ARG 12 5.342 -4.116 3.779 69 HH21 ARG 12 HH21 ARG 12 4.714 -7.514 4.311 70 HH22 ARG 12 HH22 ARG 12 4.689 -5.932 5.014 71 H ARG 13 H ARG 13 5.617 -4.532 -2.534 72 HA ARG 13 HA ARG 13 5.489 -4.543 -5.445 73 HB2 ARG 13 HB2 ARG 13 4.165 -2.994 -3.791 74 HB3 ARG 13 HB3 ARG 13 5.646 -2.047 -3.800 75 HG2 ARG 13 HG2 ARG 13 5.307 -1.289 -5.890 76 HG3 ARG 13 HG3 ARG 13 4.619 -2.816 -6.447 77 HD2 ARG 13 HD2 ARG 13 2.682 -1.679 -6.454 78 HD3 ARG 13 HD3 ARG 13 2.704 -1.983 -4.718 79 HE ARG 13 HE ARG 13 3.003 0.253 -4.386 80 HH11 ARG 13 HH11 ARG 13 3.918 -0.519 -7.655 81 HH12 ARG 13 HH12 ARG 13 4.175 1.132 -8.112 82 HH21 ARG 13 HH21 ARG 13 3.338 2.431 -4.975 83 HH22 ARG 13 HH22 ARG 13 3.846 2.809 -6.586 84 H THR 14 H THR 14 7.132 -4.015 -6.767 85 HA THR 14 HA THR 14 9.787 -3.964 -5.740 86 HB THR 14 HB THR 14 8.979 -3.224 -8.551 87 HG1 THR 14 HG1 THR 14 9.308 -5.801 -7.377 88 HG21 THR 14 HG21 THR 14 11.178 -3.150 -8.897 89 HG22 THR 14 HG22 THR 14 11.305 -4.837 -8.400 90 HG23 THR 14 HG23 THR 14 11.472 -3.551 -7.206 91 H ASN 15 H ASN 15 11.292 -2.298 -5.724 92 HA ASN 15 HA ASN 15 12.087 -0.170 -5.571 93 HB2 ASN 15 HB2 ASN 15 9.690 0.857 -7.066 94 HB3 ASN 15 HB3 ASN 15 11.343 1.467 -7.075 95 HD21 ASN 15 HD21 ASN 15 12.749 -0.855 -7.518 96 HD22 ASN 15 HD22 ASN 15 12.382 -1.453 -9.097 97 H SER 16 H SER 16 9.866 -1.351 -3.831 98 HA SER 16 HA SER 16 8.858 1.159 -2.676 99 HB2 SER 16 HB2 SER 16 6.899 0.111 -2.374 100 HB3 SER 16 HB3 SER 16 7.555 -1.266 -3.259 101 HG SER 16 HG SER 16 6.738 -1.467 -0.923 102 HA PRO 17 HA PRO 17 11.379 0.727 0.892 103 HB2 PRO 17 HB2 PRO 17 9.770 1.810 2.792 104 HB3 PRO 17 HB3 PRO 17 10.578 2.777 1.552 105 HG2 PRO 17 HG2 PRO 17 7.753 1.790 1.643 106 HG3 PRO 17 HG3 PRO 17 8.367 3.383 1.162 107 HD2 PRO 17 HD2 PRO 17 7.655 1.492 -0.640 108 HD3 PRO 17 HD3 PRO 17 8.957 2.659 -0.945 109 H CYS 18 H CYS 18 11.830 -0.836 2.330 110 HA CYS 18 HA CYS 18 9.612 -2.543 3.254 111 HB2 CYS 18 HB2 CYS 18 11.250 -4.411 3.302 112 HB3 CYS 18 HB3 CYS 18 10.989 -3.770 1.683 113 H GLN 19 H GLN 19 10.215 -3.800 5.279 114 HA GLN 19 HA GLN 19 11.106 -1.898 7.259 115 HB2 GLN 19 HB2 GLN 19 9.639 -4.453 7.247 116 HB3 GLN 19 HB3 GLN 19 10.663 -4.195 8.652 117 HG2 GLN 19 HG2 GLN 19 9.534 -2.096 9.116 118 HG3 GLN 19 HG3 GLN 19 8.534 -2.303 7.679 119 HE21 GLN 19 HE21 GLN 19 6.667 -2.211 8.964 120 HE22 GLN 19 HE22 GLN 19 6.168 -3.556 9.927 121 H ALA 20 H ALA 20 12.584 -2.663 9.037 122 HA ALA 20 HA ALA 20 15.103 -3.334 7.949 123 HB1 ALA 20 HB1 ALA 20 14.599 -1.975 10.048 124 HB2 ALA 20 HB2 ALA 20 14.422 -3.527 10.867 125 HB3 ALA 20 HB3 ALA 20 15.959 -3.096 10.119 126 H SER 21 H SER 21 12.722 -5.196 9.790 127 HA SER 21 HA SER 21 14.322 -7.534 10.021 128 HB2 SER 21 HB2 SER 21 11.573 -6.739 10.673 129 HB3 SER 21 HB3 SER 21 11.732 -8.435 10.217 130 HG SER 21 HG SER 21 12.052 -8.002 12.487 131 H ASN 22 H ASN 22 12.276 -6.251 7.542 132 HA ASN 22 HA ASN 22 11.682 -8.617 6.141 133 HB2 ASN 22 HB2 ASN 22 11.968 -5.763 5.184 134 HB3 ASN 22 HB3 ASN 22 11.371 -7.076 4.174 135 HD21 ASN 22 HD21 ASN 22 9.622 -5.280 4.234 136 HD22 ASN 22 HD22 ASN 22 8.358 -5.537 5.384 137 H GLY 23 H GLY 23 14.604 -6.864 6.498 138 HA2 GLY 23 HA2 GLY 23 15.892 -7.480 4.072 139 HA3 GLY 23 HA3 GLY 23 16.697 -7.123 5.593 140 H ASP 24 H ASP 24 14.969 -9.515 6.633 141 HA ASP 24 HA ASP 24 16.877 -11.578 5.749 142 HB2 ASP 24 HB2 ASP 24 16.599 -10.686 8.275 143 HB3 ASP 24 HB3 ASP 24 15.383 -11.960 8.282 144 H ARG 25 H ARG 25 14.358 -10.884 4.449 145 HA ARG 25 HA ARG 25 13.152 -13.543 4.516 146 HB2 ARG 25 HB2 ARG 25 11.255 -11.259 4.341 147 HB3 ARG 25 HB3 ARG 25 11.011 -12.875 4.989 148 HG2 ARG 25 HG2 ARG 25 12.303 -12.274 6.975 149 HG3 ARG 25 HG3 ARG 25 12.539 -10.651 6.325 150 HD2 ARG 25 HD2 ARG 25 9.952 -11.947 7.159 151 HD3 ARG 25 HD3 ARG 25 10.742 -10.550 7.889 152 HE ARG 25 HE ARG 25 10.255 -9.866 5.262 153 HH11 ARG 25 HH11 ARG 25 8.375 -10.804 8.038 154 HH12 ARG 25 HH12 ARG 25 6.978 -9.897 7.561 155 HH21 ARG 25 HH21 ARG 25 8.422 -8.667 4.624 156 HH22 ARG 25 HH22 ARG 25 7.006 -8.682 5.619 157 H HIS 26 H HIS 26 11.902 -14.041 2.610 158 HA HIS 26 HA HIS 26 12.603 -12.335 0.311 159 HB2 HIS 26 HB2 HIS 26 12.506 -15.340 0.548 160 HB3 HIS 26 HB3 HIS 26 12.487 -14.520 -1.011 161 HD1 HIS 26 HD1 HIS 26 14.797 -16.405 -0.225 162 HD2 HIS 26 HD2 HIS 26 14.844 -12.286 0.320 163 HE1 HIS 26 HE1 HIS 26 17.228 -15.768 -0.124 164 H PHE 27 H PHE 27 11.025 -11.804 -1.111 165 HA PHE 27 HA PHE 27 8.372 -13.018 -0.729 166 HB2 PHE 27 HB2 PHE 27 9.134 -10.123 -0.743 167 HB3 PHE 27 HB3 PHE 27 7.559 -10.599 -1.372 168 HD1 PHE 27 HD1 PHE 27 5.815 -10.459 0.097 169 HD2 PHE 27 HD2 PHE 27 9.694 -11.365 1.596 170 HE1 PHE 27 HE1 PHE 27 4.915 -10.509 2.387 171 HE2 PHE 27 HE2 PHE 27 8.801 -11.417 3.887 172 HZ PHE 27 HZ PHE 27 6.408 -10.990 4.285 173 H CYS 28 H CYS 28 7.053 -13.139 -2.566 174 HA CYS 28 HA CYS 28 8.537 -13.023 -5.085 175 HB2 CYS 28 HB2 CYS 28 6.147 -14.536 -4.118 176 HB3 CYS 28 HB3 CYS 28 6.322 -14.246 -5.846 177 H GLY 29 H GLY 29 8.199 -11.464 -6.525 178 HA2 GLY 29 HA2 GLY 29 6.719 -9.205 -6.167 179 HA3 GLY 29 HA3 GLY 29 7.120 -9.839 -7.756 180 H CYS 30 H CYS 30 4.759 -8.389 -7.079 181 HA CYS 30 HA CYS 30 2.520 -9.987 -6.601 182 HB2 CYS 30 HB2 CYS 30 3.014 -7.292 -7.235 183 HB3 CYS 30 HB3 CYS 30 1.908 -7.876 -8.474 184 H ASP 31 H ASP 31 4.507 -9.702 -9.392 185 HA ASP 31 HA ASP 31 2.543 -10.738 -11.237 186 HB2 ASP 31 HB2 ASP 31 5.474 -10.729 -11.835 187 HB3 ASP 31 HB3 ASP 31 4.113 -10.394 -12.903 188 H ARG 32 H ARG 32 4.510 -12.063 -8.872 189 HA ARG 32 HA ARG 32 5.131 -14.181 -8.321 190 HB2 ARG 32 HB2 ARG 32 3.002 -15.005 -10.302 191 HB3 ARG 32 HB3 ARG 32 3.657 -15.985 -8.997 192 HG2 ARG 32 HG2 ARG 32 2.571 -14.738 -7.352 193 HG3 ARG 32 HG3 ARG 32 2.278 -13.384 -8.446 194 HD2 ARG 32 HD2 ARG 32 0.566 -14.509 -9.568 195 HD3 ARG 32 HD3 ARG 32 1.081 -16.083 -8.963 196 HE ARG 32 HE ARG 32 0.385 -14.795 -6.708 197 HH11 ARG 32 HH11 ARG 32 -1.234 -15.235 -9.758 198 HH12 ARG 32 HH12 ARG 32 -2.824 -15.189 -9.070 199 HH21 ARG 32 HH21 ARG 32 -1.703 -14.733 -5.789 200 HH22 ARG 32 HH22 ARG 32 -3.089 -14.903 -6.812 201 H THR 33 H THR 33 6.195 -12.810 -10.835 202 HA THR 33 HA THR 33 7.177 -15.192 -12.252 203 HB THR 33 HB THR 33 7.962 -13.522 -13.983 204 HG1 THR 33 HG1 THR 33 7.525 -11.453 -13.706 205 HG21 THR 33 HG21 THR 33 5.578 -13.058 -14.793 206 HG22 THR 33 HG22 THR 33 5.050 -13.900 -13.336 207 HG23 THR 33 HG23 THR 33 6.030 -14.743 -14.536 208 H GLY 34 H GLY 34 8.095 -12.728 -10.076 209 HA2 GLY 34 HA2 GLY 34 10.860 -13.687 -10.174 210 HA3 GLY 34 HA3 GLY 34 10.590 -11.962 -10.376 211 H ILE 35 H ILE 35 12.105 -13.188 -8.292 212 HA ILE 35 HA ILE 35 10.414 -12.673 -5.939 213 HB ILE 35 HB ILE 35 13.109 -14.002 -5.848 214 HG12 ILE 35 HG12 ILE 35 10.414 -15.308 -6.279 215 HG13 ILE 35 HG13 ILE 35 11.774 -15.315 -7.397 216 HG21 ILE 35 HG21 ILE 35 12.063 -13.114 -3.768 217 HG22 ILE 35 HG22 ILE 35 10.728 -14.238 -4.018 218 HG23 ILE 35 HG23 ILE 35 12.358 -14.852 -3.739 219 HD11 ILE 35 HD11 ILE 35 11.878 -17.405 -6.424 220 HD12 ILE 35 HD12 ILE 35 13.042 -16.478 -5.476 221 HD13 ILE 35 HD13 ILE 35 11.433 -16.797 -4.829 222 H VAL 36 H VAL 36 10.867 -11.025 -4.601 223 HA VAL 36 HA VAL 36 13.358 -9.520 -5.076 224 HB VAL 36 HB VAL 36 12.214 -7.462 -4.599 225 HG11 VAL 36 HG11 VAL 36 10.140 -8.303 -6.388 226 HG12 VAL 36 HG12 VAL 36 11.575 -7.331 -6.722 227 HG13 VAL 36 HG13 VAL 36 11.657 -9.091 -6.822 228 HG21 VAL 36 HG21 VAL 36 10.178 -9.259 -3.535 229 HG22 VAL 36 HG22 VAL 36 10.528 -7.578 -3.131 230 HG23 VAL 36 HG23 VAL 36 9.515 -7.957 -4.524 231 H GLU 37 H GLU 37 14.465 -8.734 -3.310 232 HA GLU 37 HA GLU 37 13.463 -9.587 -0.673 233 HB2 GLU 37 HB2 GLU 37 15.289 -11.025 -1.240 234 HB3 GLU 37 HB3 GLU 37 16.273 -9.667 -1.769 235 HG2 GLU 37 HG2 GLU 37 16.382 -8.847 0.528 236 HG3 GLU 37 HG3 GLU 37 15.398 -10.210 1.059 237 H CYS 38 H CYS 38 13.923 -8.252 1.101 238 HA CYS 38 HA CYS 38 13.924 -5.473 0.543 239 HB2 CYS 38 HB2 CYS 38 12.759 -6.253 2.487 240 HB3 CYS 38 HB3 CYS 38 14.212 -7.019 3.122 241 H LYS 39 H LYS 39 15.722 -4.659 -0.387 242 HA LYS 39 HA LYS 39 18.228 -4.897 1.137 243 HB2 LYS 39 HB2 LYS 39 17.749 -5.274 -1.788 244 HB3 LYS 39 HB3 LYS 39 19.271 -4.563 -1.268 245 HG2 LYS 39 HG2 LYS 39 19.636 -6.543 0.184 246 HG3 LYS 39 HG3 LYS 39 18.179 -7.262 -0.504 247 HD2 LYS 39 HD2 LYS 39 20.626 -6.426 -2.061 248 HD3 LYS 39 HD3 LYS 39 20.219 -8.081 -1.603 249 HE2 LYS 39 HE2 LYS 39 18.108 -7.862 -2.887 250 HE3 LYS 39 HE3 LYS 39 18.634 -6.264 -3.416 251 HZ1 LYS 39 HZ1 LYS 39 20.623 -7.364 -4.380 252 HZ2 LYS 39 HZ2 LYS 39 19.168 -7.820 -5.112 253 HZ3 LYS 39 HZ3 LYS 39 19.928 -8.864 -4.020 254 H GLY 40 H GLY 40 19.377 -3.040 1.432 255 HA2 GLY 40 HA2 GLY 40 19.780 -0.784 1.546 256 HA3 GLY 40 HA3 GLY 40 19.238 -0.724 -0.125 257 H GLY 41 H GLY 41 17.007 -1.938 2.196 258 HA2 GLY 41 HA2 GLY 41 15.237 -0.918 3.315 259 HA3 GLY 41 HA3 GLY 41 15.805 0.643 2.741 260 H LYS 42 H LYS 42 15.675 -1.458 0.167 261 HA LYS 42 HA LYS 42 12.876 -0.836 -0.454 262 HB2 LYS 42 HB2 LYS 42 13.400 0.007 -2.622 263 HB3 LYS 42 HB3 LYS 42 14.416 0.873 -1.477 264 HG2 LYS 42 HG2 LYS 42 16.159 0.338 -2.730 265 HG3 LYS 42 HG3 LYS 42 15.919 -1.344 -2.253 266 HD2 LYS 42 HD2 LYS 42 15.990 -1.239 -4.649 267 HD3 LYS 42 HD3 LYS 42 14.331 -1.588 -4.158 268 HE2 LYS 42 HE2 LYS 42 14.103 0.041 -5.815 269 HE3 LYS 42 HE3 LYS 42 13.959 0.942 -4.307 270 HZ1 LYS 42 HZ1 LYS 42 15.583 1.636 -6.301 271 HZ2 LYS 42 HZ2 LYS 42 16.646 0.708 -5.370 272 HZ3 LYS 42 HZ3 LYS 42 15.865 2.042 -4.683 273 H TRP 43 H TRP 43 11.843 -2.300 -1.801 274 HA TRP 43 HA TRP 43 12.899 -4.947 -1.793 275 HB2 TRP 43 HB2 TRP 43 10.421 -3.718 -2.996 276 HB3 TRP 43 HB3 TRP 43 10.813 -5.424 -3.191 277 HD1 TRP 43 HD1 TRP 43 9.020 -3.134 -0.932 278 HE1 TRP 43 HE1 TRP 43 8.397 -4.322 1.264 279 HE3 TRP 43 HE3 TRP 43 11.949 -7.297 -1.404 280 HZ2 TRP 43 HZ2 TRP 43 9.060 -6.709 2.618 281 HZ3 TRP 43 HZ3 TRP 43 11.896 -8.985 0.386 282 HH2 TRP 43 HH2 TRP 43 10.482 -8.695 2.355 283 H THR 44 H THR 44 14.344 -5.720 -3.168 284 HA THR 44 HA THR 44 14.283 -4.774 -5.959 285 HB THR 44 HB THR 44 16.779 -5.526 -4.428 286 HG1 THR 44 HG1 THR 44 16.725 -3.532 -3.747 287 HG21 THR 44 HG21 THR 44 17.689 -5.691 -6.458 288 HG22 THR 44 HG22 THR 44 17.380 -3.969 -6.676 289 HG23 THR 44 HG23 THR 44 16.196 -5.155 -7.226 290 H GLU 45 H GLU 45 14.447 -6.295 -7.539 291 HA GLU 45 HA GLU 45 13.794 -8.963 -6.940 292 HB2 GLU 45 HB2 GLU 45 13.418 -7.638 -9.117 293 HB3 GLU 45 HB3 GLU 45 15.064 -8.102 -9.527 294 HG2 GLU 45 HG2 GLU 45 14.505 -10.411 -9.514 295 HG3 GLU 45 HG3 GLU 45 12.917 -10.082 -8.823 296 H ILE 46 H ILE 46 15.000 -10.671 -6.431 297 HA ILE 46 HA ILE 46 17.916 -10.482 -6.826 298 HB ILE 46 HB ILE 46 18.231 -11.839 -4.834 299 HG12 ILE 46 HG12 ILE 46 15.235 -11.650 -4.458 300 HG13 ILE 46 HG13 ILE 46 16.084 -13.091 -5.008 301 HG21 ILE 46 HG21 ILE 46 16.407 -9.786 -3.760 302 HG22 ILE 46 HG22 ILE 46 18.109 -10.088 -3.415 303 HG23 ILE 46 HG23 ILE 46 17.647 -9.215 -4.875 304 HD11 ILE 46 HD11 ILE 46 16.787 -13.617 -2.944 305 HD12 ILE 46 HD12 ILE 46 17.055 -11.934 -2.488 306 HD13 ILE 46 HD13 ILE 46 15.427 -12.610 -2.449 307 H GLN 47 H GLN 47 15.073 -12.223 -7.479 308 HA GLN 47 HA GLN 47 16.613 -14.261 -8.873 309 HB2 GLN 47 HB2 GLN 47 15.972 -15.039 -6.490 310 HB3 GLN 47 HB3 GLN 47 14.336 -15.149 -7.125 311 HG2 GLN 47 HG2 GLN 47 15.625 -16.526 -9.018 312 HG3 GLN 47 HG3 GLN 47 16.697 -16.836 -7.654 313 HE21 GLN 47 HE21 GLN 47 13.457 -17.208 -8.897 314 HE22 GLN 47 HE22 GLN 47 12.972 -18.459 -7.809 315 H ASP 48 H ASP 48 15.444 -15.326 -10.533 316 HA ASP 48 HA ASP 48 12.914 -13.995 -11.251 317 HB2 ASP 48 HB2 ASP 48 15.014 -13.503 -12.666 318 HB3 ASP 48 HB3 ASP 48 14.827 -15.147 -13.269 319 H CYS 49 H CYS 49 11.256 -15.338 -11.084 320 HA CYS 49 HA CYS 49 11.594 -18.184 -11.038 321 HB2 CYS 49 HB2 CYS 49 9.327 -16.285 -10.687 322 HB3 CYS 49 HB3 CYS 49 8.937 -17.945 -11.123 323 H GLY 50 H GLY 50 10.805 -15.820 -13.435 324 HA2 GLY 50 HA2 GLY 50 10.834 -16.161 -15.748 325 HA3 GLY 50 HA3 GLY 50 10.778 -17.895 -15.469 326 H GLY 51 H GLY 51 8.533 -18.231 -13.979 327 HA2 GLY 51 HA2 GLY 51 6.425 -17.214 -15.783 328 HA3 GLY 51 HA3 GLY 51 6.406 -18.819 -15.066 329 H ALA 52 H ALA 52 4.393 -16.707 -14.922 330 HA ALA 52 HA ALA 52 4.477 -15.581 -12.291 331 HB1 ALA 52 HB1 ALA 52 2.236 -14.794 -12.753 332 HB2 ALA 52 HB2 ALA 52 3.271 -14.511 -14.153 333 HB3 ALA 52 HB3 ALA 52 2.127 -15.853 -14.160 334 H SER 53 H SER 53 4.959 -17.740 -11.285 335 HA SER 53 HA SER 53 2.446 -18.919 -10.360 336 HB2 SER 53 HB2 SER 53 3.191 -20.435 -12.111 337 HB3 SER 53 HB3 SER 53 4.798 -20.522 -11.392 338 HG SER 53 HG SER 53 3.921 -22.225 -10.474 339 H CYS 54 H CYS 54 5.038 -17.295 -9.523 340 HA CYS 54 HA CYS 54 6.096 -18.829 -7.351 341 HB2 CYS 54 HB2 CYS 54 7.217 -16.894 -8.652 342 HB3 CYS 54 HB3 CYS 54 6.300 -15.837 -7.584 343 H ARG 55 H ARG 55 5.215 -19.132 -5.422 344 HA ARG 55 HA ARG 55 3.478 -17.061 -4.291 345 HB2 ARG 55 HB2 ARG 55 2.494 -19.449 -5.377 346 HB3 ARG 55 HB3 ARG 55 2.482 -19.697 -3.636 347 HG2 ARG 55 HG2 ARG 55 1.132 -17.482 -5.161 348 HG3 ARG 55 HG3 ARG 55 0.360 -18.825 -4.314 349 HD2 ARG 55 HD2 ARG 55 1.571 -17.910 -2.229 350 HD3 ARG 55 HD3 ARG 55 1.774 -16.438 -3.179 351 HE ARG 55 HE ARG 55 -0.934 -17.426 -3.063 352 HH11 ARG 55 HH11 ARG 55 1.468 -15.389 -1.577 353 HH12 ARG 55 HH12 ARG 55 0.307 -14.380 -0.779 354 HH21 ARG 55 HH21 ARG 55 -2.471 -16.105 -2.018 355 HH22 ARG 55 HH22 ARG 55 -1.933 -14.789 -1.030 356 H GLY 56 H GLY 56 3.700 -16.777 -2.127 357 HA2 GLY 56 HA2 GLY 56 5.276 -18.779 -0.642 358 HA3 GLY 56 HA3 GLY 56 5.719 -17.079 -0.585 359 H VAL 57 H VAL 57 5.449 -17.450 1.761 360 HA VAL 57 HA VAL 57 2.617 -17.232 2.555 361 HB VAL 57 HB VAL 57 3.460 -17.987 4.839 362 HG11 VAL 57 HG11 VAL 57 3.749 -20.067 2.688 363 HG12 VAL 57 HG12 VAL 57 3.124 -20.264 4.326 364 HG13 VAL 57 HG13 VAL 57 2.193 -19.366 3.128 365 HG21 VAL 57 HG21 VAL 57 5.762 -19.134 3.287 366 HG22 VAL 57 HG22 VAL 57 5.888 -17.596 4.142 367 HG23 VAL 57 HG23 VAL 57 5.531 -19.075 5.035 368 H SER 58 H SER 58 2.406 -16.074 4.747 369 HA SER 58 HA SER 58 3.263 -13.419 4.430 370 HB2 SER 58 HB2 SER 58 1.361 -13.482 5.709 371 HB3 SER 58 HB3 SER 58 1.843 -14.959 6.544 372 HG SER 58 HG SER 58 2.411 -13.685 8.105 373 H GLN 59 H GLN 59 4.720 -16.139 5.989 374 HA GLN 59 HA GLN 59 6.570 -14.543 7.541 375 HB2 GLN 59 HB2 GLN 59 6.687 -17.516 7.042 376 HB3 GLN 59 HB3 GLN 59 7.440 -16.618 8.353 377 HG2 GLN 59 HG2 GLN 59 5.668 -17.001 9.610 378 HG3 GLN 59 HG3 GLN 59 4.678 -16.081 8.477 379 HE21 GLN 59 HE21 GLN 59 3.148 -17.116 7.383 380 HE22 GLN 59 HE22 GLN 59 2.953 -18.831 7.313 381 H GLY 60 H GLY 60 6.346 -15.080 4.368 382 HA2 GLY 60 HA2 GLY 60 8.015 -14.368 2.837 383 HA3 GLY 60 HA3 GLY 60 9.244 -14.818 4.010 384 H GLY 61 H GLY 61 10.469 -16.369 3.169 385 HA2 GLY 61 HA2 GLY 61 11.098 -18.287 2.072 386 HA3 GLY 61 HA3 GLY 61 9.607 -18.960 2.714 387 H ALA 62 H ALA 62 9.896 -16.305 0.408 388 HA ALA 62 HA ALA 62 7.909 -17.151 -1.304 389 HB1 ALA 62 HB1 ALA 62 9.759 -15.057 -1.236 390 HB2 ALA 62 HB2 ALA 62 9.979 -15.835 -2.804 391 HB3 ALA 62 HB3 ALA 62 8.388 -15.241 -2.330 392 H ARG 63 H ARG 63 7.711 -18.709 -2.778 393 HA ARG 63 HA ARG 63 10.134 -19.911 -3.920 394 HB2 ARG 63 HB2 ARG 63 9.120 -22.162 -3.667 395 HB3 ARG 63 HB3 ARG 63 9.487 -21.395 -2.127 396 HG2 ARG 63 HG2 ARG 63 6.755 -21.051 -3.231 397 HG3 ARG 63 HG3 ARG 63 7.196 -22.626 -2.567 398 HD2 ARG 63 HD2 ARG 63 8.067 -21.232 -0.552 399 HD3 ARG 63 HD3 ARG 63 7.018 -19.972 -1.200 400 HE ARG 63 HE ARG 63 5.207 -21.145 -0.444 401 HH11 ARG 63 HH11 ARG 63 7.981 -23.248 -0.493 402 HH12 ARG 63 HH12 ARG 63 7.172 -24.550 0.315 403 HH21 ARG 63 HH21 ARG 63 4.130 -22.852 0.619 404 HH22 ARG 63 HH22 ARG 63 4.981 -24.324 0.946 405 H CYS 64 H CYS 64 9.914 -20.736 -5.999 406 HA CYS 64 HA CYS 64 8.004 -19.483 -7.649 407 HB2 CYS 64 HB2 CYS 64 9.924 -21.757 -8.156 408 HB3 CYS 64 HB3 CYS 64 8.906 -21.065 -9.415 Start of MODEL 15 1 H1 ASP 1 H ASP 1 1.928 0.102 0.867 2 HA ASP 1 HA ASP 1 1.761 0.465 -2.045 3 HB2 ASP 1 HB2 ASP 1 4.364 0.596 -0.592 4 HB3 ASP 1 HB3 ASP 1 3.817 1.503 -2.000 5 H THR 2 H THR 2 1.540 -2.043 -0.236 6 HA THR 2 HA THR 2 3.764 -3.687 -0.883 7 HB THR 2 HB THR 2 1.789 -5.497 -0.447 8 HG1 THR 2 HG1 THR 2 0.624 -4.301 1.385 9 HG21 THR 2 HG21 THR 2 2.481 -4.578 2.117 10 HG22 THR 2 HG22 THR 2 3.860 -4.216 1.079 11 HG23 THR 2 HG23 THR 2 3.251 -5.867 1.193 12 H CYS 3 H CYS 3 0.796 -2.880 -2.517 13 HA CYS 3 HA CYS 3 1.716 -3.941 -4.983 14 HB2 CYS 3 HB2 CYS 3 0.947 -6.020 -3.727 15 HB3 CYS 3 HB3 CYS 3 -0.686 -5.374 -3.851 16 H GLY 4 H GLY 4 0.514 -1.535 -3.699 17 HA2 GLY 4 HA2 GLY 4 -0.926 0.156 -4.275 18 HA3 GLY 4 HA3 GLY 4 -0.982 -0.593 -5.864 19 H GLY 5 H GLY 5 -1.962 -2.576 -3.248 20 HA2 GLY 5 HA2 GLY 5 -4.245 -2.550 -2.320 21 HA3 GLY 5 HA3 GLY 5 -4.792 -2.040 -3.910 22 H GLY 6 H GLY 6 -4.876 -4.563 -1.925 23 HA2 GLY 6 HA2 GLY 6 -5.634 -6.714 -2.378 24 HA3 GLY 6 HA3 GLY 6 -5.353 -6.424 -4.088 25 H TYR 7 H TYR 7 -2.813 -5.784 -1.823 26 HA TYR 7 HA TYR 7 -1.025 -7.545 -3.130 27 HB2 TYR 7 HB2 TYR 7 0.608 -6.797 -1.600 28 HB3 TYR 7 HB3 TYR 7 -0.467 -5.421 -1.818 29 HD1 TYR 7 HD1 TYR 7 1.052 -7.624 0.540 30 HD2 TYR 7 HD2 TYR 7 -2.296 -5.064 -0.051 31 HE1 TYR 7 HE1 TYR 7 0.716 -7.511 2.974 32 HE2 TYR 7 HE2 TYR 7 -2.640 -4.944 2.381 33 HH TYR 7 HH TYR 7 -1.391 -5.254 4.436 34 H GLY 8 H GLY 8 -0.058 -9.461 -2.398 35 HA2 GLY 8 HA2 GLY 8 -1.831 -11.126 -0.818 36 HA3 GLY 8 HA3 GLY 8 -0.402 -11.656 -1.692 37 H VAL 9 H VAL 9 -0.318 -12.890 0.456 38 HA VAL 9 HA VAL 9 0.609 -11.403 2.741 39 HB VAL 9 HB VAL 9 0.857 -13.525 3.845 40 HG11 VAL 9 HG11 VAL 9 -1.577 -14.098 2.258 41 HG12 VAL 9 HG12 VAL 9 -1.355 -14.011 4.007 42 HG13 VAL 9 HG13 VAL 9 -1.489 -12.529 3.059 43 HG21 VAL 9 HG21 VAL 9 1.788 -15.117 2.546 44 HG22 VAL 9 HG22 VAL 9 0.109 -15.549 2.223 45 HG23 VAL 9 HG23 VAL 9 0.994 -14.538 1.082 46 H ASP 10 H ASP 10 2.041 -13.211 0.110 47 HA ASP 10 HA ASP 10 4.712 -12.595 1.196 48 HB2 ASP 10 HB2 ASP 10 4.125 -15.042 0.985 49 HB3 ASP 10 HB3 ASP 10 4.056 -14.804 -0.758 50 H GLN 11 H GLN 11 2.824 -11.045 -0.589 51 HA GLN 11 HA GLN 11 4.612 -10.753 -2.912 52 HB2 GLN 11 HB2 GLN 11 1.737 -9.853 -2.726 53 HB3 GLN 11 HB3 GLN 11 2.748 -9.898 -4.165 54 HG2 GLN 11 HG2 GLN 11 2.879 -12.464 -3.554 55 HG3 GLN 11 HG3 GLN 11 1.353 -12.099 -2.751 56 HE21 GLN 11 HE21 GLN 11 2.268 -13.572 -5.296 57 HE22 GLN 11 HE22 GLN 11 1.158 -13.009 -6.495 58 H ARG 12 H ARG 12 5.554 -8.827 -3.309 59 HA ARG 12 HA ARG 12 4.701 -6.502 -1.729 60 HB2 ARG 12 HB2 ARG 12 7.487 -7.625 -1.964 61 HB3 ARG 12 HB3 ARG 12 7.192 -5.950 -1.518 62 HG2 ARG 12 HG2 ARG 12 5.973 -8.246 -0.019 63 HG3 ARG 12 HG3 ARG 12 7.565 -7.594 0.370 64 HD2 ARG 12 HD2 ARG 12 6.667 -5.480 0.930 65 HD3 ARG 12 HD3 ARG 12 5.106 -5.872 0.211 66 HE ARG 12 HE ARG 12 5.307 -7.714 2.149 67 HH11 ARG 12 HH11 ARG 12 5.794 -4.267 2.154 68 HH12 ARG 12 HH12 ARG 12 5.307 -4.069 3.805 69 HH21 ARG 12 HH21 ARG 12 4.664 -7.466 4.323 70 HH22 ARG 12 HH22 ARG 12 4.665 -5.890 5.038 71 H ARG 13 H ARG 13 5.539 -4.442 -2.587 72 HA ARG 13 HA ARG 13 5.452 -4.482 -5.498 73 HB2 ARG 13 HB2 ARG 13 4.057 -2.926 -4.009 74 HB3 ARG 13 HB3 ARG 13 5.549 -2.029 -3.754 75 HG2 ARG 13 HG2 ARG 13 4.726 -0.853 -5.504 76 HG3 ARG 13 HG3 ARG 13 5.597 -2.096 -6.404 77 HD2 ARG 13 HD2 ARG 13 3.222 -3.325 -6.054 78 HD3 ARG 13 HD3 ARG 13 2.699 -1.642 -6.105 79 HE ARG 13 HE ARG 13 3.607 -3.216 -8.296 80 HH11 ARG 13 HH11 ARG 13 3.563 0.022 -7.018 81 HH12 ARG 13 HH12 ARG 13 3.692 0.777 -8.572 82 HH21 ARG 13 HH21 ARG 13 3.777 -2.234 -10.348 83 HH22 ARG 13 HH22 ARG 13 3.813 -0.507 -10.466 84 H THR 14 H THR 14 7.098 -3.919 -6.816 85 HA THR 14 HA THR 14 9.750 -3.927 -5.777 86 HB THR 14 HB THR 14 8.967 -3.116 -8.576 87 HG1 THR 14 HG1 THR 14 8.344 -5.106 -8.900 88 HG21 THR 14 HG21 THR 14 11.177 -3.021 -8.855 89 HG22 THR 14 HG22 THR 14 11.252 -4.751 -8.520 90 HG23 THR 14 HG23 THR 14 11.451 -3.589 -7.208 91 H ASN 15 H ASN 15 11.294 -2.281 -5.774 92 HA ASN 15 HA ASN 15 12.107 -0.171 -5.528 93 HB2 ASN 15 HB2 ASN 15 10.060 0.112 -7.632 94 HB3 ASN 15 HB3 ASN 15 10.466 1.605 -6.790 95 HD21 ASN 15 HD21 ASN 15 11.753 -1.050 -8.678 96 HD22 ASN 15 HD22 ASN 15 13.165 -0.222 -9.230 97 H SER 16 H SER 16 9.903 -1.327 -3.812 98 HA SER 16 HA SER 16 8.845 1.183 -2.696 99 HB2 SER 16 HB2 SER 16 6.889 0.122 -2.424 100 HB3 SER 16 HB3 SER 16 7.570 -1.259 -3.283 101 HG SER 16 HG SER 16 6.771 -1.801 -1.189 102 HA PRO 17 HA PRO 17 11.313 0.788 0.912 103 HB2 PRO 17 HB2 PRO 17 9.666 1.867 2.782 104 HB3 PRO 17 HB3 PRO 17 10.485 2.835 1.550 105 HG2 PRO 17 HG2 PRO 17 7.667 1.826 1.602 106 HG3 PRO 17 HG3 PRO 17 8.276 3.421 1.123 107 HD2 PRO 17 HD2 PRO 17 7.607 1.515 -0.681 108 HD3 PRO 17 HD3 PRO 17 8.905 2.692 -0.971 109 H CYS 18 H CYS 18 11.754 -0.766 2.363 110 HA CYS 18 HA CYS 18 9.532 -2.466 3.290 111 HB2 CYS 18 HB2 CYS 18 11.210 -4.333 3.350 112 HB3 CYS 18 HB3 CYS 18 10.830 -3.748 1.733 113 H GLN 19 H GLN 19 10.167 -3.744 5.301 114 HA GLN 19 HA GLN 19 11.086 -1.850 7.278 115 HB2 GLN 19 HB2 GLN 19 9.552 -4.341 7.256 116 HB3 GLN 19 HB3 GLN 19 10.669 -4.226 8.610 117 HG2 GLN 19 HG2 GLN 19 9.646 -2.281 9.431 118 HG3 GLN 19 HG3 GLN 19 8.766 -2.012 7.927 119 HE21 GLN 19 HE21 GLN 19 7.623 -2.098 10.512 120 HE22 GLN 19 HE22 GLN 19 6.534 -3.438 10.564 121 H ALA 20 H ALA 20 12.586 -2.628 9.034 122 HA ALA 20 HA ALA 20 15.090 -3.294 7.906 123 HB1 ALA 20 HB1 ALA 20 14.895 -3.727 10.781 124 HB2 ALA 20 HB2 ALA 20 15.906 -2.607 9.868 125 HB3 ALA 20 HB3 ALA 20 14.243 -2.172 10.265 126 H SER 21 H SER 21 12.692 -5.167 9.696 127 HA SER 21 HA SER 21 14.300 -7.506 9.938 128 HB2 SER 21 HB2 SER 21 11.924 -6.661 11.040 129 HB3 SER 21 HB3 SER 21 11.397 -7.935 9.940 130 HG SER 21 HG SER 21 11.952 -9.143 11.591 131 H ASN 22 H ASN 22 12.250 -6.212 7.465 132 HA ASN 22 HA ASN 22 11.669 -8.570 6.047 133 HB2 ASN 22 HB2 ASN 22 11.667 -5.661 5.439 134 HB3 ASN 22 HB3 ASN 22 11.694 -6.761 4.064 135 HD21 ASN 22 HD21 ASN 22 10.127 -8.766 4.665 136 HD22 ASN 22 HD22 ASN 22 8.520 -8.252 5.038 137 H GLY 23 H GLY 23 14.582 -6.807 6.419 138 HA2 GLY 23 HA2 GLY 23 15.874 -7.398 3.989 139 HA3 GLY 23 HA3 GLY 23 16.676 -7.049 5.513 140 H ASP 24 H ASP 24 14.958 -9.457 6.532 141 HA ASP 24 HA ASP 24 16.866 -11.509 5.618 142 HB2 ASP 24 HB2 ASP 24 16.835 -10.697 8.096 143 HB3 ASP 24 HB3 ASP 24 15.385 -11.689 8.223 144 H ARG 25 H ARG 25 14.353 -10.839 4.333 145 HA ARG 25 HA ARG 25 13.145 -13.493 4.420 146 HB2 ARG 25 HB2 ARG 25 11.320 -11.113 4.384 147 HB3 ARG 25 HB3 ARG 25 10.954 -12.784 4.792 148 HG2 ARG 25 HG2 ARG 25 12.283 -12.528 6.862 149 HG3 ARG 25 HG3 ARG 25 12.513 -10.825 6.462 150 HD2 ARG 25 HD2 ARG 25 10.340 -10.282 6.918 151 HD3 ARG 25 HD3 ARG 25 9.739 -11.886 6.499 152 HE ARG 25 HE ARG 25 10.463 -10.975 9.080 153 HH11 ARG 25 HH11 ARG 25 10.580 -13.780 7.023 154 HH12 ARG 25 HH12 ARG 25 10.579 -14.907 8.339 155 HH21 ARG 25 HH21 ARG 25 10.460 -12.448 10.822 156 HH22 ARG 25 HH22 ARG 25 10.510 -14.148 10.499 157 H HIS 26 H HIS 26 11.917 -14.013 2.526 158 HA HIS 26 HA HIS 26 12.572 -12.292 0.225 159 HB2 HIS 26 HB2 HIS 26 12.428 -15.296 0.454 160 HB3 HIS 26 HB3 HIS 26 12.404 -14.469 -1.101 161 HD1 HIS 26 HD1 HIS 26 14.689 -16.377 -0.475 162 HD2 HIS 26 HD2 HIS 26 14.817 -12.303 0.333 163 HE1 HIS 26 HE1 HIS 26 17.132 -15.788 -0.370 164 H PHE 27 H PHE 27 10.986 -11.761 -1.199 165 HA PHE 27 HA PHE 27 8.319 -12.923 -0.767 166 HB2 PHE 27 HB2 PHE 27 9.125 -10.041 -0.795 167 HB3 PHE 27 HB3 PHE 27 7.535 -10.492 -1.401 168 HD1 PHE 27 HD1 PHE 27 9.708 -11.250 1.540 169 HD2 PHE 27 HD2 PHE 27 5.805 -10.364 0.090 170 HE1 PHE 27 HE1 PHE 27 8.846 -11.288 3.845 171 HE2 PHE 27 HE2 PHE 27 4.938 -10.399 2.392 172 HZ PHE 27 HZ PHE 27 6.459 -10.860 4.273 173 H CYS 28 H CYS 28 6.992 -13.071 -2.582 174 HA CYS 28 HA CYS 28 8.435 -12.958 -5.123 175 HB2 CYS 28 HB2 CYS 28 6.035 -14.442 -4.127 176 HB3 CYS 28 HB3 CYS 28 6.212 -14.170 -5.858 177 H GLY 29 H GLY 29 8.102 -11.381 -6.541 178 HA2 GLY 29 HA2 GLY 29 6.628 -9.121 -6.166 179 HA3 GLY 29 HA3 GLY 29 7.025 -9.746 -7.760 180 H CYS 30 H CYS 30 4.670 -8.295 -7.086 181 HA CYS 30 HA CYS 30 2.427 -9.891 -6.609 182 HB2 CYS 30 HB2 CYS 30 2.916 -7.197 -7.187 183 HB3 CYS 30 HB3 CYS 30 1.856 -7.750 -8.479 184 H ASP 31 H ASP 31 4.431 -9.637 -9.379 185 HA ASP 31 HA ASP 31 2.459 -10.641 -11.238 186 HB2 ASP 31 HB2 ASP 31 5.373 -9.940 -11.420 187 HB3 ASP 31 HB3 ASP 31 4.599 -10.862 -12.706 188 H ARG 32 H ARG 32 4.401 -11.987 -8.869 189 HA ARG 32 HA ARG 32 5.017 -14.109 -8.326 190 HB2 ARG 32 HB2 ARG 32 2.832 -14.845 -10.283 191 HB3 ARG 32 HB3 ARG 32 3.540 -15.919 -9.084 192 HG2 ARG 32 HG2 ARG 32 2.175 -15.177 -7.503 193 HG3 ARG 32 HG3 ARG 32 2.571 -13.495 -7.860 194 HD2 ARG 32 HD2 ARG 32 0.272 -13.648 -8.264 195 HD3 ARG 32 HD3 ARG 32 1.005 -13.742 -9.865 196 HE ARG 32 HE ARG 32 0.745 -16.343 -9.070 197 HH11 ARG 32 HH11 ARG 32 -1.422 -13.643 -9.438 198 HH12 ARG 32 HH12 ARG 32 -2.794 -14.629 -9.821 199 HH21 ARG 32 HH21 ARG 32 -1.054 -17.652 -9.573 200 HH22 ARG 32 HH22 ARG 32 -2.584 -16.909 -9.896 201 H THR 33 H THR 33 6.105 -12.742 -10.821 202 HA THR 33 HA THR 33 7.061 -15.129 -12.250 203 HB THR 33 HB THR 33 7.858 -13.457 -13.978 204 HG1 THR 33 HG1 THR 33 7.699 -11.615 -12.535 205 HG21 THR 33 HG21 THR 33 4.940 -13.824 -13.342 206 HG22 THR 33 HG22 THR 33 5.924 -14.684 -14.527 207 HG23 THR 33 HG23 THR 33 5.483 -12.999 -14.802 208 H GLY 34 H GLY 34 8.002 -12.635 -10.103 209 HA2 GLY 34 HA2 GLY 34 10.758 -13.626 -10.189 210 HA3 GLY 34 HA3 GLY 34 10.500 -11.900 -10.401 211 H ILE 35 H ILE 35 12.010 -13.125 -8.313 212 HA ILE 35 HA ILE 35 10.325 -12.588 -5.960 213 HB ILE 35 HB ILE 35 13.013 -13.934 -5.876 214 HG12 ILE 35 HG12 ILE 35 10.303 -15.228 -6.246 215 HG13 ILE 35 HG13 ILE 35 11.631 -15.241 -7.401 216 HG21 ILE 35 HG21 ILE 35 10.648 -14.111 -4.017 217 HG22 ILE 35 HG22 ILE 35 12.263 -14.768 -3.754 218 HG23 ILE 35 HG23 ILE 35 12.017 -13.022 -3.791 219 HD11 ILE 35 HD11 ILE 35 11.716 -17.335 -6.403 220 HD12 ILE 35 HD12 ILE 35 12.960 -16.416 -5.554 221 HD13 ILE 35 HD13 ILE 35 11.392 -16.689 -4.795 222 H VAL 36 H VAL 36 10.785 -10.931 -4.636 223 HA VAL 36 HA VAL 36 13.282 -9.440 -5.123 224 HB VAL 36 HB VAL 36 12.156 -7.375 -4.680 225 HG11 VAL 36 HG11 VAL 36 10.647 -9.132 -6.603 226 HG12 VAL 36 HG12 VAL 36 10.403 -7.389 -6.485 227 HG13 VAL 36 HG13 VAL 36 11.977 -8.030 -6.957 228 HG21 VAL 36 HG21 VAL 36 10.498 -7.431 -3.183 229 HG22 VAL 36 HG22 VAL 36 9.450 -7.866 -4.533 230 HG23 VAL 36 HG23 VAL 36 10.143 -9.126 -3.513 231 H GLU 37 H GLU 37 14.394 -8.645 -3.364 232 HA GLU 37 HA GLU 37 13.398 -9.483 -0.720 233 HB2 GLU 37 HB2 GLU 37 15.215 -10.930 -1.268 234 HB3 GLU 37 HB3 GLU 37 16.198 -9.587 -1.834 235 HG2 GLU 37 HG2 GLU 37 16.351 -8.727 0.441 236 HG3 GLU 37 HG3 GLU 37 15.350 -10.059 1.015 237 H CYS 38 H CYS 38 13.865 -8.141 1.046 238 HA CYS 38 HA CYS 38 13.863 -5.366 0.480 239 HB2 CYS 38 HB2 CYS 38 12.723 -6.153 2.441 240 HB3 CYS 38 HB3 CYS 38 14.194 -6.895 3.064 241 H LYS 39 H LYS 39 15.652 -4.562 -0.482 242 HA LYS 39 HA LYS 39 18.188 -4.833 0.991 243 HB2 LYS 39 HB2 LYS 39 17.821 -4.687 -2.007 244 HB3 LYS 39 HB3 LYS 39 19.371 -4.682 -1.176 245 HG2 LYS 39 HG2 LYS 39 18.330 -6.929 -0.154 246 HG3 LYS 39 HG3 LYS 39 17.515 -6.908 -1.720 247 HD2 LYS 39 HD2 LYS 39 19.482 -7.123 -2.896 248 HD3 LYS 39 HD3 LYS 39 20.455 -6.409 -1.608 249 HE2 LYS 39 HE2 LYS 39 19.755 -8.534 -0.277 250 HE3 LYS 39 HE3 LYS 39 19.403 -9.197 -1.872 251 HZ1 LYS 39 HZ1 LYS 39 21.861 -9.075 -0.616 252 HZ2 LYS 39 HZ2 LYS 39 21.938 -7.937 -1.865 253 HZ3 LYS 39 HZ3 LYS 39 21.550 -9.547 -2.211 254 H GLY 40 H GLY 40 19.335 -2.992 1.356 255 HA2 GLY 40 HA2 GLY 40 19.730 -0.742 1.582 256 HA3 GLY 40 HA3 GLY 40 19.191 -0.609 -0.085 257 H GLY 41 H GLY 41 16.964 -1.915 2.195 258 HA2 GLY 41 HA2 GLY 41 15.216 -0.916 3.379 259 HA3 GLY 41 HA3 GLY 41 15.751 0.654 2.798 260 H LYS 42 H LYS 42 15.612 -1.415 0.209 261 HA LYS 42 HA LYS 42 12.788 -0.845 -0.351 262 HB2 LYS 42 HB2 LYS 42 13.253 0.030 -2.516 263 HB3 LYS 42 HB3 LYS 42 14.289 0.896 -1.389 264 HG2 LYS 42 HG2 LYS 42 16.039 0.360 -2.626 265 HG3 LYS 42 HG3 LYS 42 15.748 -1.345 -2.272 266 HD2 LYS 42 HD2 LYS 42 15.822 -1.035 -4.661 267 HD3 LYS 42 HD3 LYS 42 14.169 -1.425 -4.181 268 HE2 LYS 42 HE2 LYS 42 13.995 0.339 -5.740 269 HE3 LYS 42 HE3 LYS 42 13.729 1.065 -4.156 270 HZ1 LYS 42 HZ1 LYS 42 16.485 1.063 -4.990 271 HZ2 LYS 42 HZ2 LYS 42 15.550 2.318 -4.349 272 HZ3 LYS 42 HZ3 LYS 42 15.475 1.968 -6.002 273 H TRP 43 H TRP 43 11.778 -2.280 -1.781 274 HA TRP 43 HA TRP 43 12.842 -4.927 -1.767 275 HB2 TRP 43 HB2 TRP 43 10.375 -3.701 -2.995 276 HB3 TRP 43 HB3 TRP 43 10.778 -5.404 -3.194 277 HD1 TRP 43 HD1 TRP 43 8.926 -3.146 -0.958 278 HE1 TRP 43 HE1 TRP 43 8.285 -4.346 1.227 279 HE3 TRP 43 HE3 TRP 43 11.921 -7.267 -1.388 280 HZ2 TRP 43 HZ2 TRP 43 8.961 -6.725 2.588 281 HZ3 TRP 43 HZ3 TRP 43 11.865 -8.957 0.400 282 HH2 TRP 43 HH2 TRP 43 10.415 -8.690 2.346 283 H THR 44 H THR 44 14.305 -5.688 -3.131 284 HA THR 44 HA THR 44 14.287 -4.706 -5.910 285 HB THR 44 HB THR 44 16.729 -5.448 -4.286 286 HG1 THR 44 HG1 THR 44 16.951 -3.357 -3.946 287 HG21 THR 44 HG21 THR 44 16.257 -5.057 -7.159 288 HG22 THR 44 HG22 THR 44 17.569 -5.895 -6.328 289 HG23 THR 44 HG23 THR 44 17.615 -4.141 -6.507 290 H GLU 45 H GLU 45 14.473 -6.204 -7.513 291 HA GLU 45 HA GLU 45 13.782 -8.875 -6.965 292 HB2 GLU 45 HB2 GLU 45 13.459 -7.511 -9.129 293 HB3 GLU 45 HB3 GLU 45 15.105 -7.991 -9.518 294 HG2 GLU 45 HG2 GLU 45 14.498 -10.310 -9.489 295 HG3 GLU 45 HG3 GLU 45 12.878 -9.920 -8.913 296 H ILE 46 H ILE 46 14.968 -10.574 -6.404 297 HA ILE 46 HA ILE 46 17.886 -10.434 -6.803 298 HB ILE 46 HB ILE 46 18.160 -11.798 -4.786 299 HG12 ILE 46 HG12 ILE 46 15.216 -11.363 -4.273 300 HG13 ILE 46 HG13 ILE 46 15.856 -12.846 -4.973 301 HG21 ILE 46 HG21 ILE 46 17.625 -10.079 -3.148 302 HG22 ILE 46 HG22 ILE 46 18.256 -9.357 -4.627 303 HG23 ILE 46 HG23 ILE 46 16.525 -9.313 -4.293 304 HD11 ILE 46 HD11 ILE 46 17.051 -11.905 -2.433 305 HD12 ILE 46 HD12 ILE 46 15.421 -12.579 -2.382 306 HD13 ILE 46 HD13 ILE 46 16.756 -13.544 -3.013 307 H GLN 47 H GLN 47 15.027 -12.116 -7.467 308 HA GLN 47 HA GLN 47 16.531 -14.220 -8.794 309 HB2 GLN 47 HB2 GLN 47 15.858 -14.936 -6.399 310 HB3 GLN 47 HB3 GLN 47 14.226 -15.030 -7.047 311 HG2 GLN 47 HG2 GLN 47 15.562 -16.456 -8.901 312 HG3 GLN 47 HG3 GLN 47 16.540 -16.791 -7.473 313 HE21 GLN 47 HE21 GLN 47 13.368 -17.058 -8.904 314 HE22 GLN 47 HE22 GLN 47 12.773 -18.278 -7.835 315 H ASP 48 H ASP 48 15.351 -15.295 -10.439 316 HA ASP 48 HA ASP 48 12.839 -13.947 -11.188 317 HB2 ASP 48 HB2 ASP 48 14.961 -13.473 -12.588 318 HB3 ASP 48 HB3 ASP 48 14.748 -15.111 -13.199 319 H CYS 49 H CYS 49 11.162 -15.272 -11.102 320 HA CYS 49 HA CYS 49 11.503 -18.128 -11.031 321 HB2 CYS 49 HB2 CYS 49 9.244 -16.224 -10.664 322 HB3 CYS 49 HB3 CYS 49 8.846 -17.878 -11.118 323 H GLY 50 H GLY 50 10.718 -15.748 -13.415 324 HA2 GLY 50 HA2 GLY 50 10.733 -16.069 -15.729 325 HA3 GLY 50 HA3 GLY 50 10.699 -17.806 -15.464 326 H GLY 51 H GLY 51 8.466 -18.204 -13.991 327 HA2 GLY 51 HA2 GLY 51 6.345 -17.219 -15.795 328 HA3 GLY 51 HA3 GLY 51 6.338 -18.804 -15.037 329 H ALA 52 H ALA 52 4.315 -16.692 -14.950 330 HA ALA 52 HA ALA 52 4.389 -15.512 -12.341 331 HB1 ALA 52 HB1 ALA 52 2.053 -15.822 -14.224 332 HB2 ALA 52 HB2 ALA 52 2.141 -14.746 -12.829 333 HB3 ALA 52 HB3 ALA 52 3.190 -14.474 -14.221 334 H SER 53 H SER 53 4.870 -17.658 -11.299 335 HA SER 53 HA SER 53 2.359 -18.802 -10.334 336 HB2 SER 53 HB2 SER 53 3.067 -20.340 -12.091 337 HB3 SER 53 HB3 SER 53 4.673 -20.458 -11.372 338 HG SER 53 HG SER 53 3.712 -22.157 -10.496 339 H CYS 54 H CYS 54 4.951 -17.186 -9.538 340 HA CYS 54 HA CYS 54 6.053 -18.714 -7.384 341 HB2 CYS 54 HB2 CYS 54 7.149 -16.780 -8.700 342 HB3 CYS 54 HB3 CYS 54 6.237 -15.721 -7.629 343 H ARG 55 H ARG 55 5.209 -19.018 -5.438 344 HA ARG 55 HA ARG 55 3.478 -16.956 -4.281 345 HB2 ARG 55 HB2 ARG 55 2.492 -19.355 -5.345 346 HB3 ARG 55 HB3 ARG 55 2.508 -19.595 -3.603 347 HG2 ARG 55 HG2 ARG 55 1.120 -17.397 -5.119 348 HG3 ARG 55 HG3 ARG 55 0.371 -18.738 -4.250 349 HD2 ARG 55 HD2 ARG 55 1.595 -17.806 -2.188 350 HD3 ARG 55 HD3 ARG 55 1.802 -16.343 -3.150 351 HE ARG 55 HE ARG 55 -0.912 -17.306 -3.010 352 HH11 ARG 55 HH11 ARG 55 1.517 -15.287 -1.545 353 HH12 ARG 55 HH12 ARG 55 0.370 -14.266 -0.743 354 HH21 ARG 55 HH21 ARG 55 -2.431 -15.969 -1.959 355 HH22 ARG 55 HH22 ARG 55 -1.875 -14.655 -0.978 356 H GLY 56 H GLY 56 3.726 -16.673 -2.118 357 HA2 GLY 56 HA2 GLY 56 5.348 -18.658 -0.661 358 HA3 GLY 56 HA3 GLY 56 5.771 -16.954 -0.607 359 H VAL 57 H VAL 57 5.542 -17.337 1.742 360 HA VAL 57 HA VAL 57 2.721 -17.150 2.580 361 HB VAL 57 HB VAL 57 3.571 -17.922 4.838 362 HG11 VAL 57 HG11 VAL 57 4.101 -20.126 2.933 363 HG12 VAL 57 HG12 VAL 57 3.021 -20.065 4.328 364 HG13 VAL 57 HG13 VAL 57 2.542 -19.312 2.806 365 HG21 VAL 57 HG21 VAL 57 5.997 -18.595 3.179 366 HG22 VAL 57 HG22 VAL 57 5.925 -17.508 4.566 367 HG23 VAL 57 HG23 VAL 57 5.678 -19.240 4.789 368 H SER 58 H SER 58 2.513 -15.989 4.759 369 HA SER 58 HA SER 58 3.349 -13.330 4.445 370 HB2 SER 58 HB2 SER 58 1.449 -13.443 5.736 371 HB3 SER 58 HB3 SER 58 1.990 -14.884 6.597 372 HG SER 58 HG SER 58 1.981 -12.891 7.847 373 H GLN 59 H GLN 59 4.853 -16.041 5.969 374 HA GLN 59 HA GLN 59 6.704 -14.434 7.510 375 HB2 GLN 59 HB2 GLN 59 6.932 -17.392 7.002 376 HB3 GLN 59 HB3 GLN 59 7.551 -16.469 8.364 377 HG2 GLN 59 HG2 GLN 59 4.748 -17.335 7.795 378 HG3 GLN 59 HG3 GLN 59 5.725 -17.595 9.239 379 HE21 GLN 59 HE21 GLN 59 3.240 -15.851 7.955 380 HE22 GLN 59 HE22 GLN 59 3.230 -14.518 9.054 381 H GLY 60 H GLY 60 6.447 -14.967 4.336 382 HA2 GLY 60 HA2 GLY 60 8.090 -14.231 2.788 383 HA3 GLY 60 HA3 GLY 60 9.338 -14.668 3.946 384 H GLY 61 H GLY 61 10.570 -16.211 3.100 385 HA2 GLY 61 HA2 GLY 61 11.210 -18.111 1.978 386 HA3 GLY 61 HA3 GLY 61 9.744 -18.808 2.651 387 H ALA 62 H ALA 62 9.949 -16.152 0.334 388 HA ALA 62 HA ALA 62 7.936 -17.021 -1.333 389 HB1 ALA 62 HB1 ALA 62 8.380 -15.104 -2.358 390 HB2 ALA 62 HB2 ALA 62 9.796 -14.924 -1.323 391 HB3 ALA 62 HB3 ALA 62 9.949 -15.703 -2.898 392 H ARG 63 H ARG 63 7.717 -18.594 -2.787 393 HA ARG 63 HA ARG 63 10.121 -19.784 -3.979 394 HB2 ARG 63 HB2 ARG 63 9.137 -22.040 -3.685 395 HB3 ARG 63 HB3 ARG 63 9.525 -21.258 -2.159 396 HG2 ARG 63 HG2 ARG 63 6.768 -20.957 -3.216 397 HG3 ARG 63 HG3 ARG 63 7.241 -22.517 -2.539 398 HD2 ARG 63 HD2 ARG 63 8.125 -21.100 -0.554 399 HD3 ARG 63 HD3 ARG 63 7.072 -19.843 -1.204 400 HE ARG 63 HE ARG 63 5.298 -20.971 -0.329 401 HH11 ARG 63 HH11 ARG 63 7.949 -23.198 -0.696 402 HH12 ARG 63 HH12 ARG 63 7.118 -24.516 0.062 403 HH21 ARG 63 HH21 ARG 63 4.193 -22.698 0.671 404 HH22 ARG 63 HH22 ARG 63 4.981 -24.231 0.839 405 H CYS 64 H CYS 64 9.838 -20.683 -6.035 406 HA CYS 64 HA CYS 64 7.891 -19.435 -7.655 407 HB2 CYS 64 HB2 CYS 64 9.781 -21.730 -8.199 408 HB3 CYS 64 HB3 CYS 64 8.758 -21.002 -9.434 Start of MODEL 16 1 H1 ASP 1 H ASP 1 1.973 0.298 0.883 2 HA ASP 1 HA ASP 1 1.411 0.434 -1.978 3 HB2 ASP 1 HB2 ASP 1 4.165 0.686 -0.833 4 HB3 ASP 1 HB3 ASP 1 3.464 1.481 -2.240 5 H THR 2 H THR 2 1.636 -2.021 -0.017 6 HA THR 2 HA THR 2 3.746 -3.646 -0.781 7 HB THR 2 HB THR 2 1.738 -5.473 -0.490 8 HG1 THR 2 HG1 THR 2 0.574 -4.345 1.389 9 HG21 THR 2 HG21 THR 2 3.809 -4.303 1.127 10 HG22 THR 2 HG22 THR 2 3.178 -5.949 1.144 11 HG23 THR 2 HG23 THR 2 2.411 -4.700 2.124 12 H CYS 3 H CYS 3 0.891 -2.759 -2.537 13 HA CYS 3 HA CYS 3 1.909 -3.786 -4.976 14 HB2 CYS 3 HB2 CYS 3 1.037 -5.878 -3.809 15 HB3 CYS 3 HB3 CYS 3 -0.574 -5.197 -4.006 16 H GLY 4 H GLY 4 0.687 -1.388 -3.694 17 HA2 GLY 4 HA2 GLY 4 -0.697 0.341 -4.295 18 HA3 GLY 4 HA3 GLY 4 -0.674 -0.360 -5.906 19 H GLY 5 H GLY 5 -1.832 -2.393 -3.400 20 HA2 GLY 5 HA2 GLY 5 -4.167 -2.346 -2.606 21 HA3 GLY 5 HA3 GLY 5 -4.610 -1.800 -4.216 22 H GLY 6 H GLY 6 -4.840 -4.358 -2.285 23 HA2 GLY 6 HA2 GLY 6 -5.597 -6.490 -2.818 24 HA3 GLY 6 HA3 GLY 6 -5.223 -6.171 -4.506 25 H TYR 7 H TYR 7 -2.794 -5.604 -2.106 26 HA TYR 7 HA TYR 7 -0.955 -7.349 -3.352 27 HB2 TYR 7 HB2 TYR 7 0.590 -6.679 -1.694 28 HB3 TYR 7 HB3 TYR 7 -0.448 -5.279 -1.943 29 HD1 TYR 7 HD1 TYR 7 0.902 -7.539 0.451 30 HD2 TYR 7 HD2 TYR 7 -2.407 -4.970 -0.294 31 HE1 TYR 7 HE1 TYR 7 0.409 -7.486 2.860 32 HE2 TYR 7 HE2 TYR 7 -2.908 -4.909 2.113 33 HH TYR 7 HH TYR 7 -0.755 -6.329 4.476 34 H GLY 8 H GLY 8 -0.015 -9.282 -2.585 35 HA2 GLY 8 HA2 GLY 8 -1.908 -10.995 -1.205 36 HA3 GLY 8 HA3 GLY 8 -0.414 -11.500 -1.981 37 H VAL 9 H VAL 9 -0.501 -12.798 0.131 38 HA VAL 9 HA VAL 9 0.238 -11.387 2.527 39 HB VAL 9 HB VAL 9 0.555 -13.634 3.503 40 HG11 VAL 9 HG11 VAL 9 -1.668 -13.945 3.798 41 HG12 VAL 9 HG12 VAL 9 -1.759 -12.403 2.944 42 HG13 VAL 9 HG13 VAL 9 -2.014 -13.914 2.069 43 HG21 VAL 9 HG21 VAL 9 1.410 -14.799 1.557 44 HG22 VAL 9 HG22 VAL 9 -0.031 -15.617 2.162 45 HG23 VAL 9 HG23 VAL 9 -0.133 -14.597 0.727 46 H ASP 10 H ASP 10 1.889 -13.166 -0.007 47 HA ASP 10 HA ASP 10 4.459 -12.507 1.277 48 HB2 ASP 10 HB2 ASP 10 3.983 -14.952 1.095 49 HB3 ASP 10 HB3 ASP 10 3.923 -14.771 -0.656 50 H GLN 11 H GLN 11 2.700 -11.001 -0.667 51 HA GLN 11 HA GLN 11 4.639 -10.735 -2.866 52 HB2 GLN 11 HB2 GLN 11 1.791 -9.749 -2.894 53 HB3 GLN 11 HB3 GLN 11 2.883 -9.933 -4.260 54 HG2 GLN 11 HG2 GLN 11 2.852 -12.453 -3.541 55 HG3 GLN 11 HG3 GLN 11 1.331 -11.992 -2.779 56 HE21 GLN 11 HE21 GLN 11 2.207 -13.620 -5.234 57 HE22 GLN 11 HE22 GLN 11 1.144 -13.063 -6.477 58 H ARG 12 H ARG 12 5.594 -8.806 -3.257 59 HA ARG 12 HA ARG 12 4.699 -6.477 -1.704 60 HB2 ARG 12 HB2 ARG 12 7.477 -7.624 -1.862 61 HB3 ARG 12 HB3 ARG 12 7.202 -5.933 -1.464 62 HG2 ARG 12 HG2 ARG 12 5.873 -8.142 0.065 63 HG3 ARG 12 HG3 ARG 12 7.500 -7.582 0.459 64 HD2 ARG 12 HD2 ARG 12 6.727 -5.403 0.964 65 HD3 ARG 12 HD3 ARG 12 5.148 -5.720 0.247 66 HE ARG 12 HE ARG 12 5.238 -7.528 2.225 67 HH11 ARG 12 HH11 ARG 12 5.919 -4.114 2.157 68 HH12 ARG 12 HH12 ARG 12 5.438 -3.853 3.800 69 HH21 ARG 12 HH21 ARG 12 4.602 -7.196 4.391 70 HH22 ARG 12 HH22 ARG 12 4.690 -5.606 5.070 71 H ARG 13 H ARG 13 5.583 -4.417 -2.539 72 HA ARG 13 HA ARG 13 5.576 -4.464 -5.456 73 HB2 ARG 13 HB2 ARG 13 4.072 -2.940 -4.094 74 HB3 ARG 13 HB3 ARG 13 5.519 -2.038 -3.664 75 HG2 ARG 13 HG2 ARG 13 4.988 -0.803 -5.453 76 HG3 ARG 13 HG3 ARG 13 5.759 -2.110 -6.355 77 HD2 ARG 13 HD2 ARG 13 3.310 -3.138 -6.169 78 HD3 ARG 13 HD3 ARG 13 2.887 -1.430 -6.060 79 HE ARG 13 HE ARG 13 3.457 -1.173 -8.270 80 HH11 ARG 13 HH11 ARG 13 4.589 -4.258 -7.122 81 HH12 ARG 13 HH12 ARG 13 5.018 -4.834 -8.699 82 HH21 ARG 13 HH21 ARG 13 4.018 -1.920 -10.351 83 HH22 ARG 13 HH22 ARG 13 4.694 -3.503 -10.535 84 H THR 14 H THR 14 7.269 -3.902 -6.707 85 HA THR 14 HA THR 14 9.873 -3.840 -5.562 86 HB THR 14 HB THR 14 9.183 -3.080 -8.400 87 HG1 THR 14 HG1 THR 14 9.138 -5.239 -8.880 88 HG21 THR 14 HG21 THR 14 11.400 -2.912 -8.580 89 HG22 THR 14 HG22 THR 14 11.506 -4.642 -8.253 90 HG23 THR 14 HG23 THR 14 11.626 -3.485 -6.928 91 H ASN 15 H ASN 15 11.383 -2.163 -5.514 92 HA ASN 15 HA ASN 15 12.161 -0.028 -5.342 93 HB2 ASN 15 HB2 ASN 15 9.737 0.979 -6.813 94 HB3 ASN 15 HB3 ASN 15 11.367 1.644 -6.793 95 HD21 ASN 15 HD21 ASN 15 12.857 -0.613 -7.286 96 HD22 ASN 15 HD22 ASN 15 12.521 -1.182 -8.883 97 H SER 16 H SER 16 9.990 -1.272 -3.598 98 HA SER 16 HA SER 16 8.966 1.205 -2.381 99 HB2 SER 16 HB2 SER 16 7.005 0.151 -2.119 100 HB3 SER 16 HB3 SER 16 7.663 -1.210 -3.027 101 HG SER 16 HG SER 16 6.890 -1.808 -0.939 102 HA PRO 17 HA PRO 17 11.507 0.661 1.158 103 HB2 PRO 17 HB2 PRO 17 9.919 1.719 3.090 104 HB3 PRO 17 HB3 PRO 17 10.733 2.704 1.869 105 HG2 PRO 17 HG2 PRO 17 7.897 1.750 1.949 106 HG3 PRO 17 HG3 PRO 17 8.528 3.346 1.503 107 HD2 PRO 17 HD2 PRO 17 7.787 1.506 -0.340 108 HD3 PRO 17 HD3 PRO 17 9.102 2.664 -0.623 109 H CYS 18 H CYS 18 11.942 -0.926 2.579 110 HA CYS 18 HA CYS 18 9.705 -2.612 3.495 111 HB2 CYS 18 HB2 CYS 18 11.394 -4.500 3.495 112 HB3 CYS 18 HB3 CYS 18 10.910 -3.913 1.907 113 H GLN 19 H GLN 19 10.330 -3.943 5.464 114 HA GLN 19 HA GLN 19 11.359 -2.125 7.461 115 HB2 GLN 19 HB2 GLN 19 9.686 -4.510 7.416 116 HB3 GLN 19 HB3 GLN 19 10.859 -4.541 8.726 117 HG2 GLN 19 HG2 GLN 19 10.057 -2.350 9.479 118 HG3 GLN 19 HG3 GLN 19 8.858 -2.359 8.186 119 HE21 GLN 19 HE21 GLN 19 8.377 -2.185 11.004 120 HE22 GLN 19 HE22 GLN 19 7.428 -3.560 11.442 121 H ALA 20 H ALA 20 12.859 -2.990 9.169 122 HA ALA 20 HA ALA 20 15.305 -3.761 7.977 123 HB1 ALA 20 HB1 ALA 20 16.242 -3.273 9.973 124 HB2 ALA 20 HB2 ALA 20 14.675 -2.520 10.272 125 HB3 ALA 20 HB3 ALA 20 15.008 -4.138 10.889 126 H SER 21 H SER 21 12.862 -5.529 9.810 127 HA SER 21 HA SER 21 14.364 -7.941 10.008 128 HB2 SER 21 HB2 SER 21 12.245 -8.953 10.742 129 HB3 SER 21 HB3 SER 21 12.537 -7.422 11.568 130 HG SER 21 HG SER 21 10.391 -7.564 10.819 131 H ASN 22 H ASN 22 12.337 -6.534 7.582 132 HA ASN 22 HA ASN 22 11.609 -8.858 6.171 133 HB2 ASN 22 HB2 ASN 22 11.883 -5.964 5.401 134 HB3 ASN 22 HB3 ASN 22 11.481 -7.184 4.196 135 HD21 ASN 22 HD21 ASN 22 10.500 -6.974 7.580 136 HD22 ASN 22 HD22 ASN 22 8.805 -6.862 7.266 137 H GLY 23 H GLY 23 14.611 -7.258 6.504 138 HA2 GLY 23 HA2 GLY 23 15.779 -8.000 4.013 139 HA3 GLY 23 HA3 GLY 23 16.646 -7.494 5.455 140 H ASP 24 H ASP 24 14.846 -9.868 6.625 141 HA ASP 24 HA ASP 24 16.911 -11.893 6.090 142 HB2 ASP 24 HB2 ASP 24 15.718 -10.955 8.504 143 HB3 ASP 24 HB3 ASP 24 15.259 -12.642 8.289 144 H ARG 25 H ARG 25 14.334 -11.210 4.594 145 HA ARG 25 HA ARG 25 13.519 -13.970 4.207 146 HB2 ARG 25 HB2 ARG 25 11.049 -12.880 4.195 147 HB3 ARG 25 HB3 ARG 25 11.749 -13.691 5.589 148 HG2 ARG 25 HG2 ARG 25 12.187 -11.704 6.691 149 HG3 ARG 25 HG3 ARG 25 12.136 -10.754 5.204 150 HD2 ARG 25 HD2 ARG 25 10.034 -10.234 5.712 151 HD3 ARG 25 HD3 ARG 25 9.614 -11.917 5.400 152 HE ARG 25 HE ARG 25 10.577 -11.680 8.028 153 HH11 ARG 25 HH11 ARG 25 7.831 -10.787 6.082 154 HH12 ARG 25 HH12 ARG 25 6.722 -10.792 7.413 155 HH21 ARG 25 HH21 ARG 25 9.126 -11.690 9.788 156 HH22 ARG 25 HH22 ARG 25 7.459 -11.305 9.520 157 H HIS 26 H HIS 26 12.146 -14.231 2.278 158 HA HIS 26 HA HIS 26 12.692 -12.110 0.307 159 HB2 HIS 26 HB2 HIS 26 12.573 -15.109 0.002 160 HB3 HIS 26 HB3 HIS 26 12.510 -14.017 -1.379 161 HD1 HIS 26 HD1 HIS 26 14.808 -15.830 -1.468 162 HD2 HIS 26 HD2 HIS 26 14.955 -12.279 0.683 163 HE1 HIS 26 HE1 HIS 26 17.252 -15.288 -1.232 164 H PHE 27 H PHE 27 11.123 -11.863 -1.426 165 HA PHE 27 HA PHE 27 8.433 -12.846 -0.806 166 HB2 PHE 27 HB2 PHE 27 9.329 -10.002 -0.878 167 HB3 PHE 27 HB3 PHE 27 7.738 -10.383 -1.528 168 HD1 PHE 27 HD1 PHE 27 9.826 -11.026 1.493 169 HD2 PHE 27 HD2 PHE 27 5.936 -10.366 -0.103 170 HE1 PHE 27 HE1 PHE 27 8.898 -11.010 3.771 171 HE2 PHE 27 HE2 PHE 27 5.002 -10.348 2.173 172 HZ PHE 27 HZ PHE 27 6.483 -10.669 4.114 173 H CYS 28 H CYS 28 7.007 -12.913 -2.580 174 HA CYS 28 HA CYS 28 8.380 -12.903 -5.171 175 HB2 CYS 28 HB2 CYS 28 6.006 -14.373 -4.080 176 HB3 CYS 28 HB3 CYS 28 6.179 -14.166 -5.820 177 H GLY 29 H GLY 29 7.996 -11.327 -6.576 178 HA2 GLY 29 HA2 GLY 29 6.498 -9.090 -6.188 179 HA3 GLY 29 HA3 GLY 29 6.854 -9.728 -7.786 180 H CYS 30 H CYS 30 4.502 -8.301 -7.059 181 HA CYS 30 HA CYS 30 2.293 -9.898 -6.480 182 HB2 CYS 30 HB2 CYS 30 2.741 -7.223 -7.183 183 HB3 CYS 30 HB3 CYS 30 1.634 -7.840 -8.406 184 H ASP 31 H ASP 31 4.121 -9.546 -9.406 185 HA ASP 31 HA ASP 31 2.122 -10.754 -11.097 186 HB2 ASP 31 HB2 ASP 31 4.888 -9.710 -11.456 187 HB3 ASP 31 HB3 ASP 31 4.307 -10.898 -12.621 188 H ARG 32 H ARG 32 4.280 -11.913 -8.829 189 HA ARG 32 HA ARG 32 5.065 -13.978 -8.282 190 HB2 ARG 32 HB2 ARG 32 3.012 -15.097 -10.183 191 HB3 ARG 32 HB3 ARG 32 3.658 -15.835 -8.723 192 HG2 ARG 32 HG2 ARG 32 1.906 -15.055 -7.621 193 HG3 ARG 32 HG3 ARG 32 2.503 -13.419 -7.907 194 HD2 ARG 32 HD2 ARG 32 0.427 -13.242 -8.841 195 HD3 ARG 32 HD3 ARG 32 1.343 -13.779 -10.248 196 HE ARG 32 HE ARG 32 0.284 -15.981 -8.793 197 HH11 ARG 32 HH11 ARG 32 -0.567 -13.469 -11.048 198 HH12 ARG 32 HH12 ARG 32 -1.884 -14.357 -11.741 199 HH21 ARG 32 HH21 ARG 32 -1.447 -17.160 -9.697 200 HH22 ARG 32 HH22 ARG 32 -2.383 -16.456 -10.971 201 H THR 33 H THR 33 5.936 -12.571 -10.845 202 HA THR 33 HA THR 33 6.977 -14.891 -12.317 203 HB THR 33 HB THR 33 7.686 -13.110 -14.007 204 HG1 THR 33 HG1 THR 33 7.111 -11.095 -13.643 205 HG21 THR 33 HG21 THR 33 5.741 -14.604 -14.307 206 HG22 THR 33 HG22 THR 33 5.479 -13.011 -15.018 207 HG23 THR 33 HG23 THR 33 4.729 -13.424 -13.476 208 H GLY 34 H GLY 34 7.882 -12.464 -10.102 209 HA2 GLY 34 HA2 GLY 34 10.674 -13.319 -10.318 210 HA3 GLY 34 HA3 GLY 34 10.337 -11.599 -10.451 211 H ILE 35 H ILE 35 11.930 -12.960 -8.450 212 HA ILE 35 HA ILE 35 10.313 -12.487 -6.037 213 HB ILE 35 HB ILE 35 12.965 -13.913 -6.124 214 HG12 ILE 35 HG12 ILE 35 10.182 -15.083 -6.328 215 HG13 ILE 35 HG13 ILE 35 11.433 -15.138 -7.565 216 HG21 ILE 35 HG21 ILE 35 10.732 -14.032 -4.103 217 HG22 ILE 35 HG22 ILE 35 12.335 -14.754 -3.967 218 HG23 ILE 35 HG23 ILE 35 12.154 -13.000 -3.958 219 HD11 ILE 35 HD11 ILE 35 12.827 -16.463 -5.976 220 HD12 ILE 35 HD12 ILE 35 11.424 -16.538 -4.908 221 HD13 ILE 35 HD13 ILE 35 11.350 -17.262 -6.514 222 H VAL 36 H VAL 36 10.819 -10.874 -4.683 223 HA VAL 36 HA VAL 36 13.353 -9.436 -5.141 224 HB VAL 36 HB VAL 36 12.293 -7.352 -4.675 225 HG11 VAL 36 HG11 VAL 36 11.571 -8.972 -6.854 226 HG12 VAL 36 HG12 VAL 36 10.107 -8.119 -6.361 227 HG13 VAL 36 HG13 VAL 36 11.564 -7.211 -6.768 228 HG21 VAL 36 HG21 VAL 36 10.229 -9.055 -3.508 229 HG22 VAL 36 HG22 VAL 36 10.676 -7.392 -3.126 230 HG23 VAL 36 HG23 VAL 36 9.584 -7.726 -4.471 231 H GLU 37 H GLU 37 14.477 -8.699 -3.359 232 HA GLU 37 HA GLU 37 13.461 -9.591 -0.739 233 HB2 GLU 37 HB2 GLU 37 15.268 -11.041 -1.355 234 HB3 GLU 37 HB3 GLU 37 16.274 -9.679 -1.829 235 HG2 GLU 37 HG2 GLU 37 16.337 -8.935 0.512 236 HG3 GLU 37 HG3 GLU 37 15.384 -10.347 0.967 237 H CYS 38 H CYS 38 13.929 -8.299 1.060 238 HA CYS 38 HA CYS 38 13.969 -5.511 0.569 239 HB2 CYS 38 HB2 CYS 38 12.810 -6.326 2.503 240 HB3 CYS 38 HB3 CYS 38 14.261 -7.118 3.110 241 H LYS 39 H LYS 39 15.775 -4.714 -0.370 242 HA LYS 39 HA LYS 39 18.295 -5.037 1.120 243 HB2 LYS 39 HB2 LYS 39 17.716 -5.563 -1.694 244 HB3 LYS 39 HB3 LYS 39 19.065 -4.456 -1.475 245 HG2 LYS 39 HG2 LYS 39 20.117 -6.109 0.038 246 HG3 LYS 39 HG3 LYS 39 18.801 -7.227 -0.328 247 HD2 LYS 39 HD2 LYS 39 20.676 -6.032 -2.368 248 HD3 LYS 39 HD3 LYS 39 20.828 -7.650 -1.680 249 HE2 LYS 39 HE2 LYS 39 18.653 -8.256 -2.597 250 HE3 LYS 39 HE3 LYS 39 18.461 -6.629 -3.248 251 HZ1 LYS 39 HZ1 LYS 39 20.272 -8.774 -4.134 252 HZ2 LYS 39 HZ2 LYS 39 20.668 -7.159 -4.443 253 HZ3 LYS 39 HZ3 LYS 39 19.230 -7.808 -5.053 254 H GLY 40 H GLY 40 19.486 -3.213 1.476 255 HA2 GLY 40 HA2 GLY 40 19.909 -0.970 1.715 256 HA3 GLY 40 HA3 GLY 40 19.364 -0.821 0.051 257 H GLY 41 H GLY 41 17.121 -2.116 2.316 258 HA2 GLY 41 HA2 GLY 41 15.383 -1.112 3.507 259 HA3 GLY 41 HA3 GLY 41 15.952 0.460 2.966 260 H LYS 42 H LYS 42 15.792 -1.528 0.322 261 HA LYS 42 HA LYS 42 12.977 -0.910 -0.233 262 HB2 LYS 42 HB2 LYS 42 13.476 0.005 -2.388 263 HB3 LYS 42 HB3 LYS 42 14.459 0.861 -1.208 264 HG2 LYS 42 HG2 LYS 42 16.227 0.418 -2.460 265 HG3 LYS 42 HG3 LYS 42 16.027 -1.288 -2.056 266 HD2 LYS 42 HD2 LYS 42 16.115 -1.075 -4.446 267 HD3 LYS 42 HD3 LYS 42 14.465 -1.498 -3.983 268 HE2 LYS 42 HE2 LYS 42 14.195 0.194 -5.571 269 HE3 LYS 42 HE3 LYS 42 14.011 1.023 -4.026 270 HZ1 LYS 42 HZ1 LYS 42 15.702 1.744 -6.028 271 HZ2 LYS 42 HZ2 LYS 42 16.727 0.961 -4.934 272 HZ3 LYS 42 HZ3 LYS 42 15.790 2.274 -4.424 273 H TRP 43 H TRP 43 11.932 -2.341 -1.593 274 HA TRP 43 HA TRP 43 12.972 -4.976 -1.696 275 HB2 TRP 43 HB2 TRP 43 10.541 -3.680 -2.924 276 HB3 TRP 43 HB3 TRP 43 10.921 -5.383 -3.166 277 HD1 TRP 43 HD1 TRP 43 9.071 -3.160 -0.893 278 HE1 TRP 43 HE1 TRP 43 8.382 -4.410 1.248 279 HE3 TRP 43 HE3 TRP 43 12.011 -7.312 -1.395 280 HZ2 TRP 43 HZ2 TRP 43 9.003 -6.836 2.552 281 HZ3 TRP 43 HZ3 TRP 43 11.905 -9.050 0.343 282 HH2 TRP 43 HH2 TRP 43 10.431 -8.815 2.276 283 H THR 44 H THR 44 14.436 -5.730 -3.062 284 HA THR 44 HA THR 44 14.484 -4.663 -5.809 285 HB THR 44 HB THR 44 16.864 -5.489 -4.136 286 HG1 THR 44 HG1 THR 44 15.795 -3.321 -3.865 287 HG21 THR 44 HG21 THR 44 16.626 -4.659 -7.023 288 HG22 THR 44 HG22 THR 44 17.335 -6.136 -6.370 289 HG23 THR 44 HG23 THR 44 18.143 -4.587 -6.128 290 H GLU 45 H GLU 45 14.529 -6.115 -7.438 291 HA GLU 45 HA GLU 45 13.845 -8.799 -6.949 292 HB2 GLU 45 HB2 GLU 45 13.557 -7.254 -9.075 293 HB3 GLU 45 HB3 GLU 45 15.077 -8.001 -9.549 294 HG2 GLU 45 HG2 GLU 45 14.091 -10.192 -9.442 295 HG3 GLU 45 HG3 GLU 45 12.587 -9.521 -8.814 296 H ILE 46 H ILE 46 15.041 -10.540 -6.541 297 HA ILE 46 HA ILE 46 17.939 -10.395 -7.062 298 HB ILE 46 HB ILE 46 18.286 -11.854 -5.113 299 HG12 ILE 46 HG12 ILE 46 15.357 -11.377 -4.528 300 HG13 ILE 46 HG13 ILE 46 16.013 -12.886 -5.152 301 HG21 ILE 46 HG21 ILE 46 18.567 -10.035 -3.862 302 HG22 ILE 46 HG22 ILE 46 17.730 -9.138 -5.128 303 HG23 ILE 46 HG23 ILE 46 16.829 -9.761 -3.747 304 HD11 ILE 46 HD11 ILE 46 15.560 -12.594 -2.609 305 HD12 ILE 46 HD12 ILE 46 17.015 -13.426 -3.160 306 HD13 ILE 46 HD13 ILE 46 17.107 -11.748 -2.627 307 H GLN 47 H GLN 47 15.034 -12.050 -7.618 308 HA GLN 47 HA GLN 47 16.473 -14.133 -9.065 309 HB2 GLN 47 HB2 GLN 47 15.782 -14.879 -6.671 310 HB3 GLN 47 HB3 GLN 47 14.157 -14.946 -7.339 311 HG2 GLN 47 HG2 GLN 47 15.526 -16.339 -9.208 312 HG3 GLN 47 HG3 GLN 47 16.450 -16.727 -7.757 313 HE21 GLN 47 HE21 GLN 47 13.231 -16.755 -9.170 314 HE22 GLN 47 HE22 GLN 47 12.616 -18.048 -8.205 315 H ASP 48 H ASP 48 15.246 -15.126 -10.727 316 HA ASP 48 HA ASP 48 12.771 -13.680 -11.413 317 HB2 ASP 48 HB2 ASP 48 14.760 -13.134 -12.856 318 HB3 ASP 48 HB3 ASP 48 14.762 -14.815 -13.383 319 H CYS 49 H CYS 49 11.076 -14.976 -11.216 320 HA CYS 49 HA CYS 49 11.313 -17.831 -11.256 321 HB2 CYS 49 HB2 CYS 49 9.130 -15.862 -10.795 322 HB3 CYS 49 HB3 CYS 49 8.662 -17.488 -11.284 323 H GLY 50 H GLY 50 10.356 -15.358 -13.529 324 HA2 GLY 50 HA2 GLY 50 10.316 -15.596 -15.857 325 HA3 GLY 50 HA3 GLY 50 10.354 -17.342 -15.657 326 H GLY 51 H GLY 51 8.180 -17.778 -14.030 327 HA2 GLY 51 HA2 GLY 51 5.951 -16.785 -15.699 328 HA3 GLY 51 HA3 GLY 51 6.042 -18.440 -15.113 329 H ALA 52 H ALA 52 3.945 -16.442 -14.712 330 HA ALA 52 HA ALA 52 4.089 -15.488 -12.027 331 HB1 ALA 52 HB1 ALA 52 1.605 -15.880 -13.685 332 HB2 ALA 52 HB2 ALA 52 1.827 -14.788 -12.318 333 HB3 ALA 52 HB3 ALA 52 2.677 -14.487 -13.833 334 H SER 53 H SER 53 4.762 -17.541 -11.037 335 HA SER 53 HA SER 53 2.420 -19.034 -10.130 336 HB2 SER 53 HB2 SER 53 4.493 -20.107 -11.860 337 HB3 SER 53 HB3 SER 53 4.391 -21.000 -10.343 338 HG SER 53 HG SER 53 2.744 -21.940 -11.237 339 H CYS 54 H CYS 54 4.906 -17.191 -9.322 340 HA CYS 54 HA CYS 54 6.085 -18.669 -7.169 341 HB2 CYS 54 HB2 CYS 54 7.012 -16.616 -8.522 342 HB3 CYS 54 HB3 CYS 54 6.151 -15.679 -7.306 343 H ARG 55 H ARG 55 5.275 -18.988 -5.209 344 HA ARG 55 HA ARG 55 3.434 -17.017 -4.071 345 HB2 ARG 55 HB2 ARG 55 2.560 -19.452 -5.129 346 HB3 ARG 55 HB3 ARG 55 2.610 -19.711 -3.391 347 HG2 ARG 55 HG2 ARG 55 1.079 -17.591 -4.876 348 HG3 ARG 55 HG3 ARG 55 0.425 -18.962 -3.977 349 HD2 ARG 55 HD2 ARG 55 1.899 -17.788 -2.052 350 HD3 ARG 55 HD3 ARG 55 1.467 -16.375 -3.013 351 HE ARG 55 HE ARG 55 -0.705 -16.593 -2.306 352 HH11 ARG 55 HH11 ARG 55 1.061 -19.492 -1.536 353 HH12 ARG 55 HH12 ARG 55 -0.209 -20.165 -0.568 354 HH21 ARG 55 HH21 ARG 55 -2.384 -17.468 -1.035 355 HH22 ARG 55 HH22 ARG 55 -2.169 -19.013 -0.284 356 H GLY 56 H GLY 56 3.704 -16.679 -1.926 357 HA2 GLY 56 HA2 GLY 56 5.386 -18.590 -0.439 358 HA3 GLY 56 HA3 GLY 56 5.764 -16.874 -0.420 359 H VAL 57 H VAL 57 5.555 -17.228 1.939 360 HA VAL 57 HA VAL 57 2.735 -17.152 2.797 361 HB VAL 57 HB VAL 57 3.513 -17.858 5.021 362 HG11 VAL 57 HG11 VAL 57 3.633 -20.110 4.519 363 HG12 VAL 57 HG12 VAL 57 2.927 -19.447 3.044 364 HG13 VAL 57 HG13 VAL 57 4.644 -19.847 3.099 365 HG21 VAL 57 HG21 VAL 57 5.746 -18.465 5.483 366 HG22 VAL 57 HG22 VAL 57 6.207 -18.369 3.783 367 HG23 VAL 57 HG23 VAL 57 5.838 -16.897 4.681 368 H SER 58 H SER 58 2.438 -15.885 4.888 369 HA SER 58 HA SER 58 3.140 -13.199 4.435 370 HB2 SER 58 HB2 SER 58 1.115 -13.903 5.675 371 HB3 SER 58 HB3 SER 58 2.137 -14.457 7.001 372 HG SER 58 HG SER 58 1.237 -12.286 7.218 373 H GLN 59 H GLN 59 4.860 -15.737 5.896 374 HA GLN 59 HA GLN 59 6.572 -13.913 7.419 375 HB2 GLN 59 HB2 GLN 59 6.825 -16.911 7.329 376 HB3 GLN 59 HB3 GLN 59 7.411 -15.803 8.563 377 HG2 GLN 59 HG2 GLN 59 4.625 -16.762 8.063 378 HG3 GLN 59 HG3 GLN 59 5.573 -16.812 9.549 379 HE21 GLN 59 HE21 GLN 59 2.885 -15.656 8.748 380 HE22 GLN 59 HE22 GLN 59 2.930 -14.039 9.355 381 H GLY 60 H GLY 60 6.405 -14.631 4.352 382 HA2 GLY 60 HA2 GLY 60 8.103 -14.129 2.786 383 HA3 GLY 60 HA3 GLY 60 9.309 -14.523 4.002 384 H GLY 61 H GLY 61 10.510 -16.097 3.128 385 HA2 GLY 61 HA2 GLY 61 11.080 -18.152 2.281 386 HA3 GLY 61 HA3 GLY 61 9.533 -18.716 2.894 387 H ALA 62 H ALA 62 9.755 -16.147 0.544 388 HA ALA 62 HA ALA 62 7.922 -17.198 -1.226 389 HB1 ALA 62 HB1 ALA 62 8.228 -15.233 -2.208 390 HB2 ALA 62 HB2 ALA 62 9.587 -14.936 -1.124 391 HB3 ALA 62 HB3 ALA 62 9.861 -15.688 -2.695 392 H ARG 63 H ARG 63 7.941 -18.914 -2.509 393 HA ARG 63 HA ARG 63 10.467 -19.752 -3.742 394 HB2 ARG 63 HB2 ARG 63 10.032 -22.087 -3.243 395 HB3 ARG 63 HB3 ARG 63 10.093 -21.161 -1.750 396 HG2 ARG 63 HG2 ARG 63 7.459 -21.659 -3.054 397 HG3 ARG 63 HG3 ARG 63 8.234 -22.946 -2.126 398 HD2 ARG 63 HD2 ARG 63 8.450 -21.286 -0.237 399 HD3 ARG 63 HD3 ARG 63 7.404 -20.215 -1.169 400 HE ARG 63 HE ARG 63 5.613 -21.513 -0.582 401 HH11 ARG 63 HH11 ARG 63 8.551 -23.265 0.062 402 HH12 ARG 63 HH12 ARG 63 7.751 -24.562 0.887 403 HH21 ARG 63 HH21 ARG 63 4.548 -23.215 0.502 404 HH22 ARG 63 HH22 ARG 63 5.474 -24.533 1.136 405 H CYS 64 H CYS 64 10.228 -20.966 -5.685 406 HA CYS 64 HA CYS 64 7.598 -20.594 -6.958 407 HB2 CYS 64 HB2 CYS 64 10.228 -19.835 -7.785 408 HB3 CYS 64 HB3 CYS 64 9.608 -21.032 -8.918 Start of MODEL 17 1 H1 ASP 1 H ASP 1 5.150 0.351 0.602 2 HA ASP 1 HA ASP 1 2.367 0.064 -0.325 3 HB2 ASP 1 HB2 ASP 1 4.375 0.118 -2.444 4 HB3 ASP 1 HB3 ASP 1 2.868 1.018 -2.300 5 H THR 2 H THR 2 1.846 -2.016 -0.140 6 HA THR 2 HA THR 2 3.830 -4.101 -0.426 7 HB THR 2 HB THR 2 1.686 -5.572 -0.143 8 HG1 THR 2 HG1 THR 2 0.316 -3.637 -0.475 9 HG21 THR 2 HG21 THR 2 1.792 -4.452 2.410 10 HG22 THR 2 HG22 THR 2 3.387 -4.157 1.719 11 HG23 THR 2 HG23 THR 2 2.754 -5.800 1.804 12 H CYS 3 H CYS 3 1.151 -2.773 -2.261 13 HA CYS 3 HA CYS 3 2.111 -3.768 -4.716 14 HB2 CYS 3 HB2 CYS 3 1.178 -5.882 -3.651 15 HB3 CYS 3 HB3 CYS 3 -0.414 -5.147 -3.808 16 H GLY 4 H GLY 4 0.842 -1.441 -3.238 17 HA2 GLY 4 HA2 GLY 4 -0.507 0.342 -3.755 18 HA3 GLY 4 HA3 GLY 4 -0.387 -0.205 -5.421 19 H GLY 5 H GLY 5 -1.689 -2.457 -3.185 20 HA2 GLY 5 HA2 GLY 5 -4.088 -2.416 -2.539 21 HA3 GLY 5 HA3 GLY 5 -4.405 -1.816 -4.160 22 H GLY 6 H GLY 6 -4.789 -4.436 -2.350 23 HA2 GLY 6 HA2 GLY 6 -5.471 -6.557 -3.004 24 HA3 GLY 6 HA3 GLY 6 -4.988 -6.172 -4.649 25 H TYR 7 H TYR 7 -2.730 -5.677 -2.073 26 HA TYR 7 HA TYR 7 -0.806 -7.382 -3.255 27 HB2 TYR 7 HB2 TYR 7 0.639 -6.729 -1.509 28 HB3 TYR 7 HB3 TYR 7 -0.401 -5.335 -1.774 29 HD1 TYR 7 HD1 TYR 7 -2.371 -4.995 -0.200 30 HD2 TYR 7 HD2 TYR 7 0.781 -7.736 0.607 31 HE1 TYR 7 HE1 TYR 7 -2.996 -5.004 2.179 32 HE2 TYR 7 HE2 TYR 7 0.165 -7.753 2.988 33 HH TYR 7 HH TYR 7 -1.568 -5.542 4.454 34 H GLY 8 H GLY 8 0.032 -9.359 -2.565 35 HA2 GLY 8 HA2 GLY 8 -1.907 -11.075 -1.261 36 HA3 GLY 8 HA3 GLY 8 -0.404 -11.581 -2.018 37 H VAL 9 H VAL 9 -0.548 -12.935 0.052 38 HA VAL 9 HA VAL 9 0.146 -11.608 2.506 39 HB VAL 9 HB VAL 9 0.516 -13.942 3.356 40 HG11 VAL 9 HG11 VAL 9 -2.153 -14.035 2.104 41 HG12 VAL 9 HG12 VAL 9 -1.689 -14.149 3.803 42 HG13 VAL 9 HG13 VAL 9 -1.776 -12.573 3.015 43 HG21 VAL 9 HG21 VAL 9 -0.512 -14.745 0.636 44 HG22 VAL 9 HG22 VAL 9 1.159 -14.919 1.173 45 HG23 VAL 9 HG23 VAL 9 -0.125 -15.820 1.980 46 H ASP 10 H ASP 10 1.853 -13.318 -0.041 47 HA ASP 10 HA ASP 10 4.394 -12.676 1.308 48 HB2 ASP 10 HB2 ASP 10 3.920 -15.122 1.098 49 HB3 ASP 10 HB3 ASP 10 3.911 -14.927 -0.652 50 H GLN 11 H GLN 11 2.675 -11.159 -0.660 51 HA GLN 11 HA GLN 11 4.636 -10.899 -2.839 52 HB2 GLN 11 HB2 GLN 11 1.798 -9.874 -2.832 53 HB3 GLN 11 HB3 GLN 11 2.890 -9.987 -4.205 54 HG2 GLN 11 HG2 GLN 11 2.863 -12.544 -3.590 55 HG3 GLN 11 HG3 GLN 11 1.326 -12.111 -2.843 56 HE21 GLN 11 HE21 GLN 11 2.214 -13.661 -5.324 57 HE22 GLN 11 HE22 GLN 11 1.194 -13.041 -6.573 58 H ARG 12 H ARG 12 5.584 -8.958 -3.267 59 HA ARG 12 HA ARG 12 4.806 -6.664 -1.600 60 HB2 ARG 12 HB2 ARG 12 7.572 -7.787 -2.019 61 HB3 ARG 12 HB3 ARG 12 7.301 -6.135 -1.480 62 HG2 ARG 12 HG2 ARG 12 6.139 -8.490 -0.030 63 HG3 ARG 12 HG3 ARG 12 7.763 -7.886 0.301 64 HD2 ARG 12 HD2 ARG 12 6.707 -5.619 0.664 65 HD3 ARG 12 HD3 ARG 12 5.145 -6.436 0.619 66 HE ARG 12 HE ARG 12 7.078 -6.490 2.756 67 HH11 ARG 12 HH11 ARG 12 4.350 -8.082 1.293 68 HH12 ARG 12 HH12 ARG 12 3.880 -8.898 2.748 69 HH21 ARG 12 HH21 ARG 12 6.470 -7.559 4.678 70 HH22 ARG 12 HH22 ARG 12 5.086 -8.599 4.672 71 H ARG 13 H ARG 13 5.597 -4.583 -2.435 72 HA ARG 13 HA ARG 13 5.416 -4.546 -5.346 73 HB2 ARG 13 HB2 ARG 13 3.940 -3.076 -4.008 74 HB3 ARG 13 HB3 ARG 13 5.360 -2.257 -3.373 75 HG2 ARG 13 HG2 ARG 13 5.060 -0.816 -5.043 76 HG3 ARG 13 HG3 ARG 13 5.744 -2.074 -6.075 77 HD2 ARG 13 HD2 ARG 13 3.230 -2.915 -6.073 78 HD3 ARG 13 HD3 ARG 13 2.921 -1.213 -5.734 79 HE ARG 13 HE ARG 13 3.820 -2.351 -8.213 80 HH11 ARG 13 HH11 ARG 13 3.740 0.521 -6.248 81 HH12 ARG 13 HH12 ARG 13 3.933 1.602 -7.588 82 HH21 ARG 13 HH21 ARG 13 4.075 -0.939 -9.986 83 HH22 ARG 13 HH22 ARG 13 4.123 0.770 -9.715 84 H THR 14 H THR 14 7.063 -4.069 -6.661 85 HA THR 14 HA THR 14 9.714 -3.933 -5.648 86 HB THR 14 HB THR 14 8.898 -3.227 -8.464 87 HG1 THR 14 HG1 THR 14 9.062 -5.488 -8.876 88 HG21 THR 14 HG21 THR 14 11.098 -3.137 -8.794 89 HG22 THR 14 HG22 THR 14 11.223 -4.830 -8.316 90 HG23 THR 14 HG23 THR 14 11.390 -3.557 -7.107 91 H ASN 15 H ASN 15 11.188 -2.237 -5.664 92 HA ASN 15 HA ASN 15 11.941 -0.092 -5.535 93 HB2 ASN 15 HB2 ASN 15 9.509 0.850 -7.036 94 HB3 ASN 15 HB3 ASN 15 11.135 1.527 -7.039 95 HD21 ASN 15 HD21 ASN 15 12.639 -0.737 -7.462 96 HD22 ASN 15 HD22 ASN 15 12.306 -1.357 -9.040 97 H SER 16 H SER 16 9.777 -1.300 -3.756 98 HA SER 16 HA SER 16 8.727 1.203 -2.618 99 HB2 SER 16 HB2 SER 16 6.790 0.134 -2.231 100 HB3 SER 16 HB3 SER 16 7.417 -1.185 -3.219 101 HG SER 16 HG SER 16 6.762 -1.333 -0.724 102 HA PRO 17 HA PRO 17 11.267 0.818 0.941 103 HB2 PRO 17 HB2 PRO 17 9.650 1.884 2.844 104 HB3 PRO 17 HB3 PRO 17 10.440 2.858 1.598 105 HG2 PRO 17 HG2 PRO 17 7.629 1.833 1.703 106 HG3 PRO 17 HG3 PRO 17 8.219 3.432 1.216 107 HD2 PRO 17 HD2 PRO 17 7.526 1.525 -0.578 108 HD3 PRO 17 HD3 PRO 17 8.811 2.710 -0.892 109 H CYS 18 H CYS 18 11.742 -0.719 2.404 110 HA CYS 18 HA CYS 18 9.549 -2.441 3.360 111 HB2 CYS 18 HB2 CYS 18 11.220 -4.302 3.383 112 HB3 CYS 18 HB3 CYS 18 10.849 -3.698 1.771 113 H GLN 19 H GLN 19 10.219 -3.709 5.363 114 HA GLN 19 HA GLN 19 11.161 -1.807 7.322 115 HB2 GLN 19 HB2 GLN 19 9.905 -4.523 7.431 116 HB3 GLN 19 HB3 GLN 19 10.714 -3.885 8.856 117 HG2 GLN 19 HG2 GLN 19 9.020 -2.533 9.333 118 HG3 GLN 19 HG3 GLN 19 8.907 -1.955 7.672 119 HE21 GLN 19 HE21 GLN 19 7.808 -3.407 6.135 120 HE22 GLN 19 HE22 GLN 19 6.457 -4.322 6.701 121 H ALA 20 H ALA 20 12.692 -2.576 9.056 122 HA ALA 20 HA ALA 20 15.181 -3.231 7.892 123 HB1 ALA 20 HB1 ALA 20 15.440 -3.687 10.625 124 HB2 ALA 20 HB2 ALA 20 15.783 -2.188 9.760 125 HB3 ALA 20 HB3 ALA 20 14.197 -2.442 10.488 126 H SER 21 H SER 21 12.830 -5.114 9.738 127 HA SER 21 HA SER 21 14.454 -7.446 9.936 128 HB2 SER 21 HB2 SER 21 11.726 -8.191 10.096 129 HB3 SER 21 HB3 SER 21 12.858 -7.943 11.426 130 HG SER 21 HG SER 21 12.096 -5.954 11.733 131 H ASN 22 H ASN 22 12.343 -6.155 7.517 132 HA ASN 22 HA ASN 22 11.724 -8.517 6.119 133 HB2 ASN 22 HB2 ASN 22 11.700 -5.608 5.509 134 HB3 ASN 22 HB3 ASN 22 11.692 -6.709 4.134 135 HD21 ASN 22 HD21 ASN 22 10.164 -8.748 4.896 136 HD22 ASN 22 HD22 ASN 22 8.560 -8.225 5.267 137 H GLY 23 H GLY 23 14.643 -6.753 6.414 138 HA2 GLY 23 HA2 GLY 23 15.872 -7.335 3.950 139 HA3 GLY 23 HA3 GLY 23 16.714 -6.996 5.455 140 H ASP 24 H ASP 24 15.024 -9.405 6.510 141 HA ASP 24 HA ASP 24 16.904 -11.455 5.535 142 HB2 ASP 24 HB2 ASP 24 17.037 -10.716 7.981 143 HB3 ASP 24 HB3 ASP 24 15.488 -11.526 8.195 144 H ARG 25 H ARG 25 14.397 -10.802 4.275 145 HA ARG 25 HA ARG 25 13.174 -13.444 4.397 146 HB2 ARG 25 HB2 ARG 25 11.370 -11.045 4.401 147 HB3 ARG 25 HB3 ARG 25 10.983 -12.718 4.780 148 HG2 ARG 25 HG2 ARG 25 12.369 -12.505 6.835 149 HG3 ARG 25 HG3 ARG 25 12.551 -10.788 6.472 150 HD2 ARG 25 HD2 ARG 25 10.549 -10.326 7.326 151 HD3 ARG 25 HD3 ARG 25 9.783 -11.572 6.342 152 HE ARG 25 HE ARG 25 9.762 -12.940 8.171 153 HH11 ARG 25 HH11 ARG 25 12.041 -10.366 8.716 154 HH12 ARG 25 HH12 ARG 25 12.339 -10.803 10.366 155 HH21 ARG 25 HH21 ARG 25 10.146 -13.526 10.342 156 HH22 ARG 25 HH22 ARG 25 11.262 -12.601 11.289 157 H HIS 26 H HIS 26 11.825 -13.914 2.537 158 HA HIS 26 HA HIS 26 12.441 -12.195 0.224 159 HB2 HIS 26 HB2 HIS 26 12.415 -15.203 0.440 160 HB3 HIS 26 HB3 HIS 26 12.328 -14.371 -1.110 161 HD1 HIS 26 HD1 HIS 26 14.692 -16.163 -0.670 162 HD2 HIS 26 HD2 HIS 26 14.690 -12.152 0.416 163 HE1 HIS 26 HE1 HIS 26 17.113 -15.490 -0.578 164 H PHE 27 H PHE 27 10.826 -11.794 -1.236 165 HA PHE 27 HA PHE 27 8.209 -13.034 -0.744 166 HB2 PHE 27 HB2 PHE 27 8.825 -10.089 -0.930 167 HB3 PHE 27 HB3 PHE 27 7.210 -10.728 -1.218 168 HD1 PHE 27 HD1 PHE 27 5.749 -10.805 0.548 169 HD2 PHE 27 HD2 PHE 27 9.932 -10.925 1.324 170 HE1 PHE 27 HE1 PHE 27 5.298 -10.759 2.967 171 HE2 PHE 27 HE2 PHE 27 9.488 -10.880 3.744 172 HZ PHE 27 HZ PHE 27 7.169 -10.798 4.568 173 H CYS 28 H CYS 28 6.914 -13.314 -2.539 174 HA CYS 28 HA CYS 28 8.299 -13.165 -5.089 175 HB2 CYS 28 HB2 CYS 28 5.766 -14.495 -4.156 176 HB3 CYS 28 HB3 CYS 28 6.154 -14.369 -5.868 177 H GLY 29 H GLY 29 7.998 -11.603 -6.534 178 HA2 GLY 29 HA2 GLY 29 6.627 -9.283 -6.178 179 HA3 GLY 29 HA3 GLY 29 6.949 -9.959 -7.768 180 H CYS 30 H CYS 30 4.676 -8.392 -7.027 181 HA CYS 30 HA CYS 30 2.384 -9.879 -6.463 182 HB2 CYS 30 HB2 CYS 30 2.988 -7.217 -7.191 183 HB3 CYS 30 HB3 CYS 30 1.771 -7.782 -8.332 184 H ASP 31 H ASP 31 4.292 -9.720 -9.318 185 HA ASP 31 HA ASP 31 2.199 -10.783 -11.030 186 HB2 ASP 31 HB2 ASP 31 5.082 -10.033 -11.499 187 HB3 ASP 31 HB3 ASP 31 4.114 -10.847 -12.724 188 H ARG 32 H ARG 32 4.394 -12.005 -8.826 189 HA ARG 32 HA ARG 32 5.121 -14.096 -8.305 190 HB2 ARG 32 HB2 ARG 32 3.036 -15.087 -10.250 191 HB3 ARG 32 HB3 ARG 32 3.721 -15.954 -8.882 192 HG2 ARG 32 HG2 ARG 32 2.100 -15.204 -7.581 193 HG3 ARG 32 HG3 ARG 32 2.582 -13.540 -7.917 194 HD2 ARG 32 HD2 ARG 32 0.329 -13.669 -8.569 195 HD3 ARG 32 HD3 ARG 32 1.248 -13.755 -10.071 196 HE ARG 32 HE ARG 32 0.407 -15.849 -10.408 197 HH11 ARG 32 HH11 ARG 32 0.038 -15.022 -7.047 198 HH12 ARG 32 HH12 ARG 32 -0.882 -16.439 -6.664 199 HH21 ARG 32 HH21 ARG 32 -0.804 -17.719 -9.917 200 HH22 ARG 32 HH22 ARG 32 -1.360 -17.973 -8.298 201 H THR 33 H THR 33 5.997 -12.638 -10.860 202 HA THR 33 HA THR 33 7.012 -14.914 -12.400 203 HB THR 33 HB THR 33 7.855 -13.056 -13.952 204 HG1 THR 33 HG1 THR 33 7.178 -11.038 -13.578 205 HG21 THR 33 HG21 THR 33 4.863 -13.114 -13.634 206 HG22 THR 33 HG22 THR 33 5.772 -14.502 -14.234 207 HG23 THR 33 HG23 THR 33 5.806 -12.976 -15.117 208 H GLY 34 H GLY 34 7.993 -12.571 -10.091 209 HA2 GLY 34 HA2 GLY 34 10.709 -13.641 -10.177 210 HA3 GLY 34 HA3 GLY 34 10.534 -11.908 -10.406 211 H ILE 35 H ILE 35 11.980 -13.129 -8.297 212 HA ILE 35 HA ILE 35 10.287 -12.552 -5.960 213 HB ILE 35 HB ILE 35 12.883 -14.089 -6.104 214 HG12 ILE 35 HG12 ILE 35 10.210 -15.194 -5.291 215 HG13 ILE 35 HG13 ILE 35 10.653 -15.096 -6.992 216 HG21 ILE 35 HG21 ILE 35 13.086 -13.623 -3.939 217 HG22 ILE 35 HG22 ILE 35 11.508 -12.839 -3.897 218 HG23 ILE 35 HG23 ILE 35 11.631 -14.583 -3.668 219 HD11 ILE 35 HD11 ILE 35 11.494 -16.976 -4.953 220 HD12 ILE 35 HD12 ILE 35 11.559 -17.102 -6.711 221 HD13 ILE 35 HD13 ILE 35 12.850 -16.278 -5.838 222 H VAL 36 H VAL 36 10.760 -10.899 -4.633 223 HA VAL 36 HA VAL 36 13.265 -9.422 -5.126 224 HB VAL 36 HB VAL 36 12.137 -7.348 -4.657 225 HG11 VAL 36 HG11 VAL 36 11.433 -7.183 -6.762 226 HG12 VAL 36 HG12 VAL 36 11.657 -8.928 -6.894 227 HG13 VAL 36 HG13 VAL 36 10.078 -8.270 -6.464 228 HG21 VAL 36 HG21 VAL 36 10.124 -9.106 -3.539 229 HG22 VAL 36 HG22 VAL 36 10.411 -7.391 -3.246 230 HG23 VAL 36 HG23 VAL 36 9.420 -7.898 -4.614 231 H GLU 37 H GLU 37 14.380 -8.626 -3.369 232 HA GLU 37 HA GLU 37 13.379 -9.454 -0.723 233 HB2 GLU 37 HB2 GLU 37 15.219 -10.888 -1.346 234 HB3 GLU 37 HB3 GLU 37 16.209 -9.501 -1.779 235 HG2 GLU 37 HG2 GLU 37 16.209 -8.784 0.566 236 HG3 GLU 37 HG3 GLU 37 15.254 -10.204 0.987 237 H CYS 38 H CYS 38 13.857 -8.110 1.044 238 HA CYS 38 HA CYS 38 13.843 -5.335 0.472 239 HB2 CYS 38 HB2 CYS 38 12.709 -6.102 2.436 240 HB3 CYS 38 HB3 CYS 38 14.168 -6.871 3.052 241 H LYS 39 H LYS 39 15.627 -4.525 -0.493 242 HA LYS 39 HA LYS 39 18.168 -4.789 0.974 243 HB2 LYS 39 HB2 LYS 39 17.798 -4.644 -2.024 244 HB3 LYS 39 HB3 LYS 39 19.348 -4.643 -1.193 245 HG2 LYS 39 HG2 LYS 39 18.326 -6.889 -0.172 246 HG3 LYS 39 HG3 LYS 39 17.473 -6.865 -1.717 247 HD2 LYS 39 HD2 LYS 39 19.406 -7.092 -2.941 248 HD3 LYS 39 HD3 LYS 39 20.413 -6.366 -1.686 249 HE2 LYS 39 HE2 LYS 39 19.760 -8.482 -0.319 250 HE3 LYS 39 HE3 LYS 39 19.361 -9.158 -1.898 251 HZ1 LYS 39 HZ1 LYS 39 21.807 -8.056 -2.287 252 HZ2 LYS 39 HZ2 LYS 39 21.506 -9.694 -1.995 253 HZ3 LYS 39 HZ3 LYS 39 21.930 -8.671 -0.716 254 H GLY 40 H GLY 40 19.309 -2.944 1.336 255 HA2 GLY 40 HA2 GLY 40 19.697 -0.693 1.560 256 HA3 GLY 40 HA3 GLY 40 19.159 -0.564 -0.109 257 H GLY 41 H GLY 41 16.932 -1.873 2.169 258 HA2 GLY 41 HA2 GLY 41 15.180 -0.877 3.350 259 HA3 GLY 41 HA3 GLY 41 15.713 0.694 2.769 260 H LYS 42 H LYS 42 15.584 -1.372 0.179 261 HA LYS 42 HA LYS 42 12.759 -0.809 -0.385 262 HB2 LYS 42 HB2 LYS 42 13.230 0.057 -2.555 263 HB3 LYS 42 HB3 LYS 42 14.252 0.934 -1.424 264 HG2 LYS 42 HG2 LYS 42 15.994 0.425 -2.686 265 HG3 LYS 42 HG3 LYS 42 15.759 -1.272 -2.261 266 HD2 LYS 42 HD2 LYS 42 15.809 -1.079 -4.656 267 HD3 LYS 42 HD3 LYS 42 14.160 -1.465 -4.156 268 HE2 LYS 42 HE2 LYS 42 13.935 0.221 -5.778 269 HE3 LYS 42 HE3 LYS 42 13.718 1.038 -4.231 270 HZ1 LYS 42 HZ1 LYS 42 16.448 1.049 -4.937 271 HZ2 LYS 42 HZ2 LYS 42 15.410 2.363 -4.698 272 HZ3 LYS 42 HZ3 LYS 42 15.540 1.656 -6.229 273 H TRP 43 H TRP 43 11.734 -2.278 -1.740 274 HA TRP 43 HA TRP 43 12.823 -4.909 -1.752 275 HB2 TRP 43 HB2 TRP 43 10.327 -3.704 -2.941 276 HB3 TRP 43 HB3 TRP 43 10.740 -5.403 -3.150 277 HD1 TRP 43 HD1 TRP 43 8.957 -3.133 -0.848 278 HE1 TRP 43 HE1 TRP 43 8.343 -4.355 1.333 279 HE3 TRP 43 HE3 TRP 43 11.860 -7.303 -1.409 280 HZ2 TRP 43 HZ2 TRP 43 9.003 -6.767 2.642 281 HZ3 TRP 43 HZ3 TRP 43 11.812 -9.020 0.354 282 HH2 TRP 43 HH2 TRP 43 10.412 -8.755 2.337 283 H THR 44 H THR 44 14.278 -5.654 -3.132 284 HA THR 44 HA THR 44 14.212 -4.680 -5.914 285 HB THR 44 HB THR 44 16.664 -5.381 -4.288 286 HG1 THR 44 HG1 THR 44 15.846 -3.302 -3.833 287 HG21 THR 44 HG21 THR 44 17.703 -4.298 -6.467 288 HG22 THR 44 HG22 THR 44 16.223 -4.920 -7.198 289 HG23 THR 44 HG23 THR 44 17.335 -6.021 -6.386 290 H GLU 45 H GLU 45 14.390 -6.177 -7.521 291 HA GLU 45 HA GLU 45 13.702 -8.846 -6.972 292 HB2 GLU 45 HB2 GLU 45 13.413 -7.448 -9.142 293 HB3 GLU 45 HB3 GLU 45 15.031 -8.014 -9.532 294 HG2 GLU 45 HG2 GLU 45 14.303 -10.303 -9.461 295 HG3 GLU 45 HG3 GLU 45 12.703 -9.814 -8.907 296 H ILE 46 H ILE 46 14.880 -10.578 -6.478 297 HA ILE 46 HA ILE 46 17.804 -10.410 -6.815 298 HB ILE 46 HB ILE 46 18.055 -11.838 -4.853 299 HG12 ILE 46 HG12 ILE 46 15.064 -11.558 -4.503 300 HG13 ILE 46 HG13 ILE 46 15.862 -13.008 -5.101 301 HG21 ILE 46 HG21 ILE 46 17.998 -9.364 -4.632 302 HG22 ILE 46 HG22 ILE 46 16.290 -9.481 -4.212 303 HG23 ILE 46 HG23 ILE 46 17.507 -10.216 -3.168 304 HD11 ILE 46 HD11 ILE 46 15.225 -12.529 -2.508 305 HD12 ILE 46 HD12 ILE 46 16.467 -13.657 -3.053 306 HD13 ILE 46 HD13 ILE 46 16.914 -12.024 -2.559 307 H GLN 47 H GLN 47 14.946 -12.148 -7.496 308 HA GLN 47 HA GLN 47 16.491 -14.141 -8.953 309 HB2 GLN 47 HB2 GLN 47 15.879 -14.993 -6.600 310 HB3 GLN 47 HB3 GLN 47 14.227 -15.060 -7.199 311 HG2 GLN 47 HG2 GLN 47 15.532 -16.382 -9.164 312 HG3 GLN 47 HG3 GLN 47 16.517 -16.803 -7.764 313 HE21 GLN 47 HE21 GLN 47 13.234 -16.806 -9.030 314 HE22 GLN 47 HE22 GLN 47 12.675 -18.140 -8.085 315 H ASP 48 H ASP 48 15.332 -15.157 -10.644 316 HA ASP 48 HA ASP 48 12.791 -13.824 -11.321 317 HB2 ASP 48 HB2 ASP 48 14.402 -13.023 -12.867 318 HB3 ASP 48 HB3 ASP 48 15.102 -14.624 -13.084 319 H CYS 49 H CYS 49 11.126 -15.165 -11.254 320 HA CYS 49 HA CYS 49 11.498 -18.022 -11.298 321 HB2 CYS 49 HB2 CYS 49 9.331 -16.147 -10.632 322 HB3 CYS 49 HB3 CYS 49 8.788 -17.648 -11.374 323 H GLY 50 H GLY 50 10.613 -15.550 -13.551 324 HA2 GLY 50 HA2 GLY 50 10.564 -15.775 -15.876 325 HA3 GLY 50 HA3 GLY 50 10.544 -17.522 -15.684 326 H GLY 51 H GLY 51 8.353 -17.950 -14.123 327 HA2 GLY 51 HA2 GLY 51 6.168 -16.868 -15.795 328 HA3 GLY 51 HA3 GLY 51 6.202 -18.520 -15.198 329 H ALA 52 H ALA 52 4.139 -16.514 -14.826 330 HA ALA 52 HA ALA 52 4.290 -15.517 -12.152 331 HB1 ALA 52 HB1 ALA 52 2.923 -14.447 -13.897 332 HB2 ALA 52 HB2 ALA 52 1.863 -15.857 -13.909 333 HB3 ALA 52 HB3 ALA 52 1.982 -14.856 -12.462 334 H SER 53 H SER 53 4.937 -17.627 -11.201 335 HA SER 53 HA SER 53 2.551 -19.046 -10.272 336 HB2 SER 53 HB2 SER 53 4.668 -20.179 -11.939 337 HB3 SER 53 HB3 SER 53 4.427 -21.076 -10.440 338 HG SER 53 HG SER 53 2.331 -21.450 -10.996 339 H CYS 54 H CYS 54 5.087 -17.256 -9.469 340 HA CYS 54 HA CYS 54 6.216 -18.737 -7.295 341 HB2 CYS 54 HB2 CYS 54 7.281 -16.795 -8.612 342 HB3 CYS 54 HB3 CYS 54 6.318 -15.742 -7.581 343 H ARG 55 H ARG 55 5.364 -19.047 -5.354 344 HA ARG 55 HA ARG 55 3.579 -17.021 -4.222 345 HB2 ARG 55 HB2 ARG 55 2.668 -19.475 -5.274 346 HB3 ARG 55 HB3 ARG 55 2.617 -19.642 -3.524 347 HG2 ARG 55 HG2 ARG 55 1.268 -17.525 -5.184 348 HG3 ARG 55 HG3 ARG 55 0.498 -18.840 -4.294 349 HD2 ARG 55 HD2 ARG 55 1.505 -17.852 -2.202 350 HD3 ARG 55 HD3 ARG 55 1.950 -16.452 -3.178 351 HE ARG 55 HE ARG 55 -0.840 -17.168 -3.314 352 HH11 ARG 55 HH11 ARG 55 1.589 -15.308 -1.654 353 HH12 ARG 55 HH12 ARG 55 0.460 -14.157 -1.019 354 HH21 ARG 55 HH21 ARG 55 -2.337 -15.660 -2.484 355 HH22 ARG 55 HH22 ARG 55 -1.773 -14.359 -1.491 356 H GLY 56 H GLY 56 3.735 -16.781 -2.032 357 HA2 GLY 56 HA2 GLY 56 5.428 -18.710 -0.581 358 HA3 GLY 56 HA3 GLY 56 5.763 -16.988 -0.486 359 H VAL 57 H VAL 57 5.510 -17.436 1.851 360 HA VAL 57 HA VAL 57 2.671 -17.468 2.646 361 HB VAL 57 HB VAL 57 3.412 -18.242 4.855 362 HG11 VAL 57 HG11 VAL 57 3.412 -20.412 4.234 363 HG12 VAL 57 HG12 VAL 57 3.105 -19.733 2.635 364 HG13 VAL 57 HG13 VAL 57 4.742 -20.199 3.096 365 HG21 VAL 57 HG21 VAL 57 5.686 -17.190 4.690 366 HG22 VAL 57 HG22 VAL 57 5.669 -18.834 5.329 367 HG23 VAL 57 HG23 VAL 57 6.161 -18.541 3.661 368 H SER 58 H SER 58 2.224 -16.245 4.695 369 HA SER 58 HA SER 58 2.888 -13.543 4.377 370 HB2 SER 58 HB2 SER 58 0.849 -14.388 5.541 371 HB3 SER 58 HB3 SER 58 1.866 -14.878 6.895 372 HG SER 58 HG SER 58 1.868 -12.892 7.558 373 H GLN 59 H GLN 59 4.599 -16.087 5.871 374 HA GLN 59 HA GLN 59 6.206 -14.280 7.509 375 HB2 GLN 59 HB2 GLN 59 6.576 -17.257 7.250 376 HB3 GLN 59 HB3 GLN 59 7.103 -16.206 8.558 377 HG2 GLN 59 HG2 GLN 59 4.356 -17.214 7.943 378 HG3 GLN 59 HG3 GLN 59 5.278 -17.335 9.441 379 HE21 GLN 59 HE21 GLN 59 2.584 -16.152 8.556 380 HE22 GLN 59 HE22 GLN 59 2.568 -14.597 9.309 381 H GLY 60 H GLY 60 6.169 -14.842 4.399 382 HA2 GLY 60 HA2 GLY 60 7.910 -14.143 2.945 383 HA3 GLY 60 HA3 GLY 60 9.083 -14.617 4.165 384 H GLY 61 H GLY 61 10.336 -16.129 3.273 385 HA2 GLY 61 HA2 GLY 61 10.981 -18.045 2.183 386 HA3 GLY 61 HA3 GLY 61 9.490 -18.728 2.812 387 H ALA 62 H ALA 62 10.072 -16.174 0.406 388 HA ALA 62 HA ALA 62 8.009 -17.042 -1.304 389 HB1 ALA 62 HB1 ALA 62 10.070 -14.983 -1.325 390 HB2 ALA 62 HB2 ALA 62 9.693 -15.608 -2.931 391 HB3 ALA 62 HB3 ALA 62 8.411 -14.935 -1.924 392 H ARG 63 H ARG 63 7.932 -18.659 -2.714 393 HA ARG 63 HA ARG 63 10.427 -19.642 -3.905 394 HB2 ARG 63 HB2 ARG 63 9.720 -21.964 -3.574 395 HB3 ARG 63 HB3 ARG 63 9.904 -21.131 -2.036 396 HG2 ARG 63 HG2 ARG 63 7.202 -21.104 -3.219 397 HG3 ARG 63 HG3 ARG 63 7.798 -22.662 -2.644 398 HD2 ARG 63 HD2 ARG 63 8.499 -21.020 -0.591 399 HD3 ARG 63 HD3 ARG 63 7.003 -20.269 -1.144 400 HE ARG 63 HE ARG 63 7.251 -22.704 0.293 401 HH11 ARG 63 HH11 ARG 63 5.383 -21.135 -2.191 402 HH12 ARG 63 HH12 ARG 63 3.955 -22.069 -1.889 403 HH21 ARG 63 HH21 ARG 63 5.377 -23.940 0.700 404 HH22 ARG 63 HH22 ARG 63 3.953 -23.664 -0.244 405 H CYS 64 H CYS 64 10.148 -20.781 -5.905 406 HA CYS 64 HA CYS 64 8.089 -19.654 -7.534 407 HB2 CYS 64 HB2 CYS 64 10.596 -20.573 -8.038 408 HB3 CYS 64 HB3 CYS 64 9.632 -21.929 -8.612 Start of MODEL 18 1 H1 ASP 1 H ASP 1 4.893 -0.220 1.144 2 HA ASP 1 HA ASP 1 2.680 -0.028 -0.228 3 HB2 ASP 1 HB2 ASP 1 4.410 -0.029 -2.604 4 HB3 ASP 1 HB3 ASP 1 2.869 0.778 -2.331 5 H THR 2 H THR 2 2.105 -2.084 -0.086 6 HA THR 2 HA THR 2 4.041 -4.207 -0.407 7 HB THR 2 HB THR 2 1.875 -5.632 -0.027 8 HG1 THR 2 HG1 THR 2 0.588 -3.587 -0.321 9 HG21 THR 2 HG21 THR 2 3.148 -5.828 1.817 10 HG22 THR 2 HG22 THR 2 2.059 -4.626 2.510 11 HG23 THR 2 HG23 THR 2 3.594 -4.122 1.804 12 H CYS 3 H CYS 3 1.312 -2.879 -2.170 13 HA CYS 3 HA CYS 3 2.176 -3.947 -4.636 14 HB2 CYS 3 HB2 CYS 3 1.193 -5.997 -3.455 15 HB3 CYS 3 HB3 CYS 3 -0.374 -5.220 -3.656 16 H GLY 4 H GLY 4 1.011 -1.555 -3.165 17 HA2 GLY 4 HA2 GLY 4 -0.299 0.256 -3.685 18 HA3 GLY 4 HA3 GLY 4 -0.247 -0.332 -5.340 19 H GLY 5 H GLY 5 -1.543 -2.479 -2.993 20 HA2 GLY 5 HA2 GLY 5 -3.920 -2.353 -2.282 21 HA3 GLY 5 HA3 GLY 5 -4.268 -1.793 -3.912 22 H GLY 6 H GLY 6 -4.683 -4.342 -2.015 23 HA2 GLY 6 HA2 GLY 6 -5.420 -6.469 -2.562 24 HA3 GLY 6 HA3 GLY 6 -5.019 -6.140 -4.241 25 H TYR 7 H TYR 7 -2.617 -5.632 -1.801 26 HA TYR 7 HA TYR 7 -0.780 -7.383 -3.037 27 HB2 TYR 7 HB2 TYR 7 0.744 -6.753 -1.353 28 HB3 TYR 7 HB3 TYR 7 -0.284 -5.342 -1.574 29 HD1 TYR 7 HD1 TYR 7 -2.169 -4.958 0.083 30 HD2 TYR 7 HD2 TYR 7 0.945 -7.780 0.751 31 HE1 TYR 7 HE1 TYR 7 -2.694 -4.959 2.486 32 HE2 TYR 7 HE2 TYR 7 0.427 -7.790 3.156 33 HH TYR 7 HH TYR 7 -1.867 -7.213 4.547 34 H GLY 8 H GLY 8 0.018 -9.386 -2.413 35 HA2 GLY 8 HA2 GLY 8 -1.888 -11.063 -1.024 36 HA3 GLY 8 HA3 GLY 8 -0.421 -11.595 -1.833 37 H VAL 9 H VAL 9 -0.522 -12.945 0.245 38 HA VAL 9 HA VAL 9 0.276 -11.633 2.674 39 HB VAL 9 HB VAL 9 0.607 -13.944 3.539 40 HG11 VAL 9 HG11 VAL 9 -1.592 -12.726 3.563 41 HG12 VAL 9 HG12 VAL 9 -2.039 -13.654 2.130 42 HG13 VAL 9 HG13 VAL 9 -1.705 -14.483 3.651 43 HG21 VAL 9 HG21 VAL 9 -0.632 -15.534 1.651 44 HG22 VAL 9 HG22 VAL 9 0.476 -14.546 0.700 45 HG23 VAL 9 HG23 VAL 9 1.090 -15.521 2.035 46 H ASP 10 H ASP 10 1.876 -13.373 0.075 47 HA ASP 10 HA ASP 10 4.468 -12.757 1.336 48 HB2 ASP 10 HB2 ASP 10 3.944 -15.200 1.137 49 HB3 ASP 10 HB3 ASP 10 3.907 -14.999 -0.613 50 H GLN 11 H GLN 11 2.711 -11.212 -0.567 51 HA GLN 11 HA GLN 11 4.580 -10.996 -2.829 52 HB2 GLN 11 HB2 GLN 11 1.760 -9.927 -2.648 53 HB3 GLN 11 HB3 GLN 11 2.786 -9.956 -4.076 54 HG2 GLN 11 HG2 GLN 11 2.785 -12.557 -3.545 55 HG3 GLN 11 HG3 GLN 11 1.246 -12.134 -2.797 56 HE21 GLN 11 HE21 GLN 11 2.173 -13.588 -5.338 57 HE22 GLN 11 HE22 GLN 11 1.159 -12.922 -6.568 58 H ARG 12 H ARG 12 5.501 -9.046 -3.361 59 HA ARG 12 HA ARG 12 4.905 -6.745 -1.638 60 HB2 ARG 12 HB2 ARG 12 7.643 -7.886 -2.208 61 HB3 ARG 12 HB3 ARG 12 7.376 -6.288 -1.525 62 HG2 ARG 12 HG2 ARG 12 6.324 -8.794 -0.247 63 HG3 ARG 12 HG3 ARG 12 7.921 -8.131 0.106 64 HD2 ARG 12 HD2 ARG 12 6.807 -5.984 0.722 65 HD3 ARG 12 HD3 ARG 12 5.254 -6.795 0.533 66 HE ARG 12 HE ARG 12 6.696 -8.351 2.284 67 HH11 ARG 12 HH11 ARG 12 5.574 -5.057 2.169 68 HH12 ARG 12 HH12 ARG 12 5.427 -4.910 3.889 69 HH21 ARG 12 HH21 ARG 12 6.507 -8.169 4.550 70 HH22 ARG 12 HH22 ARG 12 5.959 -6.680 5.242 71 H ARG 13 H ARG 13 5.742 -4.695 -2.508 72 HA ARG 13 HA ARG 13 5.515 -4.682 -5.425 73 HB2 ARG 13 HB2 ARG 13 4.014 -3.229 -4.075 74 HB3 ARG 13 HB3 ARG 13 5.428 -2.363 -3.489 75 HG2 ARG 13 HG2 ARG 13 5.082 -0.973 -5.191 76 HG3 ARG 13 HG3 ARG 13 5.740 -2.253 -6.212 77 HD2 ARG 13 HD2 ARG 13 3.216 -3.098 -6.076 78 HD3 ARG 13 HD3 ARG 13 2.935 -1.376 -5.824 79 HE ARG 13 HE ARG 13 3.652 -2.652 -8.268 80 HH11 ARG 13 HH11 ARG 13 4.008 0.291 -6.442 81 HH12 ARG 13 HH12 ARG 13 4.253 1.283 -7.841 82 HH21 ARG 13 HH21 ARG 13 3.973 -1.356 -10.118 83 HH22 ARG 13 HH22 ARG 13 4.232 0.346 -9.931 84 H THR 14 H THR 14 7.146 -4.139 -6.744 85 HA THR 14 HA THR 14 9.796 -3.966 -5.718 86 HB THR 14 HB THR 14 8.947 -3.310 -8.540 87 HG1 THR 14 HG1 THR 14 9.743 -5.889 -7.709 88 HG21 THR 14 HG21 THR 14 11.144 -3.046 -8.824 89 HG22 THR 14 HG22 THR 14 11.339 -4.764 -8.474 90 HG23 THR 14 HG23 THR 14 11.473 -3.578 -7.176 91 H ASN 15 H ASN 15 11.238 -2.241 -5.742 92 HA ASN 15 HA ASN 15 11.947 -0.082 -5.612 93 HB2 ASN 15 HB2 ASN 15 9.518 0.823 -7.133 94 HB3 ASN 15 HB3 ASN 15 11.143 1.502 -7.143 95 HD21 ASN 15 HD21 ASN 15 12.850 -0.030 -7.978 96 HD22 ASN 15 HD22 ASN 15 12.439 -0.952 -9.380 97 H SER 16 H SER 16 9.783 -1.319 -3.850 98 HA SER 16 HA SER 16 8.685 1.173 -2.734 99 HB2 SER 16 HB2 SER 16 6.747 0.081 -2.465 100 HB3 SER 16 HB3 SER 16 7.454 -1.301 -3.302 101 HG SER 16 HG SER 16 6.887 -2.105 -1.367 102 HA PRO 17 HA PRO 17 11.192 0.821 0.853 103 HB2 PRO 17 HB2 PRO 17 9.552 1.901 2.728 104 HB3 PRO 17 HB3 PRO 17 10.355 2.865 1.484 105 HG2 PRO 17 HG2 PRO 17 7.545 1.838 1.563 106 HG3 PRO 17 HG3 PRO 17 8.139 3.434 1.069 107 HD2 PRO 17 HD2 PRO 17 7.470 1.512 -0.717 108 HD3 PRO 17 HD3 PRO 17 8.757 2.695 -1.025 109 H CYS 18 H CYS 18 11.650 -0.698 2.342 110 HA CYS 18 HA CYS 18 9.446 -2.408 3.295 111 HB2 CYS 18 HB2 CYS 18 11.174 -4.258 3.364 112 HB3 CYS 18 HB3 CYS 18 10.687 -3.734 1.755 113 H GLN 19 H GLN 19 10.108 -3.669 5.305 114 HA GLN 19 HA GLN 19 11.056 -1.762 7.255 115 HB2 GLN 19 HB2 GLN 19 9.599 -4.325 7.291 116 HB3 GLN 19 HB3 GLN 19 10.660 -4.055 8.667 117 HG2 GLN 19 HG2 GLN 19 9.471 -2.210 9.392 118 HG3 GLN 19 HG3 GLN 19 8.740 -1.935 7.811 119 HE21 GLN 19 HE21 GLN 19 8.821 -4.249 10.483 120 HE22 GLN 19 HE22 GLN 19 7.173 -4.745 10.337 121 H ALA 20 H ALA 20 12.589 -2.518 8.988 122 HA ALA 20 HA ALA 20 15.075 -3.188 7.826 123 HB1 ALA 20 HB1 ALA 20 14.385 -3.277 10.757 124 HB2 ALA 20 HB2 ALA 20 15.978 -3.052 10.032 125 HB3 ALA 20 HB3 ALA 20 14.752 -1.794 9.874 126 H SER 21 H SER 21 12.768 -5.042 9.770 127 HA SER 21 HA SER 21 14.372 -7.374 9.969 128 HB2 SER 21 HB2 SER 21 12.536 -8.376 11.011 129 HB3 SER 21 HB3 SER 21 12.287 -6.665 11.358 130 HG SER 21 HG SER 21 10.533 -8.175 10.333 131 H ASN 22 H ASN 22 12.258 -6.122 7.527 132 HA ASN 22 HA ASN 22 11.690 -8.522 6.156 133 HB2 ASN 22 HB2 ASN 22 11.688 -5.620 5.378 134 HB3 ASN 22 HB3 ASN 22 11.413 -6.867 4.165 135 HD21 ASN 22 HD21 ASN 22 10.404 -6.716 7.549 136 HD22 ASN 22 HD22 ASN 22 8.708 -6.796 7.229 137 H GLY 23 H GLY 23 14.547 -6.661 6.424 138 HA2 GLY 23 HA2 GLY 23 15.776 -7.180 3.949 139 HA3 GLY 23 HA3 GLY 23 16.619 -6.841 5.454 140 H ASP 24 H ASP 24 15.016 -9.307 6.496 141 HA ASP 24 HA ASP 24 16.939 -11.290 5.472 142 HB2 ASP 24 HB2 ASP 24 16.754 -10.462 8.033 143 HB3 ASP 24 HB3 ASP 24 15.591 -11.784 8.065 144 H ARG 25 H ARG 25 14.384 -10.676 4.266 145 HA ARG 25 HA ARG 25 13.242 -13.359 4.353 146 HB2 ARG 25 HB2 ARG 25 11.381 -11.002 4.424 147 HB3 ARG 25 HB3 ARG 25 11.032 -12.692 4.759 148 HG2 ARG 25 HG2 ARG 25 12.422 -12.510 6.811 149 HG3 ARG 25 HG3 ARG 25 12.579 -10.782 6.493 150 HD2 ARG 25 HD2 ARG 25 10.566 -10.364 7.349 151 HD3 ARG 25 HD3 ARG 25 9.820 -11.624 6.366 152 HE ARG 25 HE ARG 25 11.256 -12.689 8.594 153 HH11 ARG 25 HH11 ARG 25 8.253 -11.221 7.622 154 HH12 ARG 25 HH12 ARG 25 7.338 -11.934 8.908 155 HH21 ARG 25 HH21 ARG 25 10.062 -13.634 10.292 156 HH22 ARG 25 HH22 ARG 25 8.367 -13.305 10.427 157 H HIS 26 H HIS 26 11.957 -13.877 2.490 158 HA HIS 26 HA HIS 26 12.481 -12.098 0.199 159 HB2 HIS 26 HB2 HIS 26 12.521 -15.108 0.376 160 HB3 HIS 26 HB3 HIS 26 12.407 -14.258 -1.162 161 HD1 HIS 26 HD1 HIS 26 14.798 -15.927 -0.982 162 HD2 HIS 26 HD2 HIS 26 14.743 -12.087 0.602 163 HE1 HIS 26 HE1 HIS 26 17.209 -15.224 -0.839 164 H PHE 27 H PHE 27 10.847 -11.730 -1.255 165 HA PHE 27 HA PHE 27 8.262 -13.028 -0.750 166 HB2 PHE 27 HB2 PHE 27 8.813 -10.068 -0.910 167 HB3 PHE 27 HB3 PHE 27 7.211 -10.737 -1.200 168 HD1 PHE 27 HD1 PHE 27 9.946 -10.883 1.330 169 HD2 PHE 27 HD2 PHE 27 5.758 -10.886 0.571 170 HE1 PHE 27 HE1 PHE 27 9.511 -10.874 3.752 171 HE2 PHE 27 HE2 PHE 27 5.316 -10.876 2.991 172 HZ PHE 27 HZ PHE 27 7.193 -10.869 4.585 173 H CYS 28 H CYS 28 6.960 -13.323 -2.538 174 HA CYS 28 HA CYS 28 8.322 -13.164 -5.092 175 HB2 CYS 28 HB2 CYS 28 5.787 -14.464 -4.131 176 HB3 CYS 28 HB3 CYS 28 6.121 -14.310 -5.853 177 H GLY 29 H GLY 29 8.033 -11.611 -6.551 178 HA2 GLY 29 HA2 GLY 29 6.712 -9.259 -6.181 179 HA3 GLY 29 HA3 GLY 29 7.017 -9.939 -7.773 180 H CYS 30 H CYS 30 4.782 -8.330 -7.064 181 HA CYS 30 HA CYS 30 2.459 -9.761 -6.474 182 HB2 CYS 30 HB2 CYS 30 2.888 -7.259 -8.109 183 HB3 CYS 30 HB3 CYS 30 1.290 -7.886 -7.716 184 H ASP 31 H ASP 31 4.357 -9.652 -9.346 185 HA ASP 31 HA ASP 31 2.244 -10.704 -11.036 186 HB2 ASP 31 HB2 ASP 31 5.016 -9.718 -11.444 187 HB3 ASP 31 HB3 ASP 31 4.428 -10.927 -12.582 188 H ARG 32 H ARG 32 4.413 -11.944 -8.819 189 HA ARG 32 HA ARG 32 5.101 -14.043 -8.276 190 HB2 ARG 32 HB2 ARG 32 2.984 -14.997 -10.207 191 HB3 ARG 32 HB3 ARG 32 3.670 -15.887 -8.855 192 HG2 ARG 32 HG2 ARG 32 2.107 -15.099 -7.506 193 HG3 ARG 32 HG3 ARG 32 2.577 -13.441 -7.885 194 HD2 ARG 32 HD2 ARG 32 0.297 -13.609 -8.464 195 HD3 ARG 32 HD3 ARG 32 1.185 -13.670 -9.986 196 HE ARG 32 HE ARG 32 0.638 -16.266 -8.905 197 HH11 ARG 32 HH11 ARG 32 -0.660 -13.645 -10.792 198 HH12 ARG 32 HH12 ARG 32 -1.784 -14.646 -11.651 199 HH21 ARG 32 HH21 ARG 32 -0.837 -17.595 -10.028 200 HH22 ARG 32 HH22 ARG 32 -1.884 -16.893 -11.214 201 H THR 33 H THR 33 6.002 -12.630 -10.849 202 HA THR 33 HA THR 33 6.986 -14.947 -12.350 203 HB THR 33 HB THR 33 7.828 -13.141 -13.954 204 HG1 THR 33 HG1 THR 33 7.672 -11.231 -12.989 205 HG21 THR 33 HG21 THR 33 5.665 -12.912 -15.021 206 HG22 THR 33 HG22 THR 33 4.845 -13.312 -13.512 207 HG23 THR 33 HG23 THR 33 5.814 -14.531 -14.340 208 H GLY 34 H GLY 34 8.000 -12.501 -10.143 209 HA2 GLY 34 HA2 GLY 34 10.720 -13.588 -10.241 210 HA3 GLY 34 HA3 GLY 34 10.520 -11.853 -10.437 211 H ILE 35 H ILE 35 12.007 -13.095 -8.368 212 HA ILE 35 HA ILE 35 10.338 -12.571 -6.001 213 HB ILE 35 HB ILE 35 12.999 -13.991 -6.053 214 HG12 ILE 35 HG12 ILE 35 10.231 -15.209 -5.955 215 HG13 ILE 35 HG13 ILE 35 11.274 -15.205 -7.373 216 HG21 ILE 35 HG21 ILE 35 10.845 -13.784 -3.955 217 HG22 ILE 35 HG22 ILE 35 12.289 -14.788 -3.832 218 HG23 ILE 35 HG23 ILE 35 12.439 -13.032 -3.904 219 HD11 ILE 35 HD11 ILE 35 11.308 -16.923 -5.022 220 HD12 ILE 35 HD12 ILE 35 11.944 -17.197 -6.644 221 HD13 ILE 35 HD13 ILE 35 12.894 -16.294 -5.465 222 H VAL 36 H VAL 36 10.781 -10.894 -4.710 223 HA VAL 36 HA VAL 36 13.306 -9.437 -5.156 224 HB VAL 36 HB VAL 36 12.184 -7.352 -4.731 225 HG11 VAL 36 HG11 VAL 36 11.746 -8.943 -6.965 226 HG12 VAL 36 HG12 VAL 36 10.157 -8.283 -6.575 227 HG13 VAL 36 HG13 VAL 36 11.520 -7.198 -6.851 228 HG21 VAL 36 HG21 VAL 36 9.461 -7.889 -4.744 229 HG22 VAL 36 HG22 VAL 36 10.136 -9.083 -3.635 230 HG23 VAL 36 HG23 VAL 36 10.424 -7.364 -3.363 231 H GLU 37 H GLU 37 14.379 -8.625 -3.376 232 HA GLU 37 HA GLU 37 13.311 -9.431 -0.750 233 HB2 GLU 37 HB2 GLU 37 15.153 -10.883 -1.304 234 HB3 GLU 37 HB3 GLU 37 16.161 -9.512 -1.746 235 HG2 GLU 37 HG2 GLU 37 16.126 -8.751 0.585 236 HG3 GLU 37 HG3 GLU 37 15.155 -10.157 1.016 237 H CYS 38 H CYS 38 13.771 -8.081 1.022 238 HA CYS 38 HA CYS 38 13.773 -5.310 0.435 239 HB2 CYS 38 HB2 CYS 38 12.611 -6.066 2.388 240 HB3 CYS 38 HB3 CYS 38 14.062 -6.830 3.029 241 H LYS 39 H LYS 39 15.574 -4.519 -0.518 242 HA LYS 39 HA LYS 39 18.090 -4.765 0.994 243 HB2 LYS 39 HB2 LYS 39 17.530 -5.316 -1.834 244 HB3 LYS 39 HB3 LYS 39 18.909 -4.255 -1.578 245 HG2 LYS 39 HG2 LYS 39 20.067 -5.877 -0.339 246 HG3 LYS 39 HG3 LYS 39 18.619 -6.863 -0.123 247 HD2 LYS 39 HD2 LYS 39 18.670 -6.954 -2.745 248 HD3 LYS 39 HD3 LYS 39 20.376 -6.560 -2.516 249 HE2 LYS 39 HE2 LYS 39 20.190 -8.523 -0.737 250 HE3 LYS 39 HE3 LYS 39 18.871 -9.018 -1.797 251 HZ1 LYS 39 HZ1 LYS 39 21.746 -8.811 -2.392 252 HZ2 LYS 39 HZ2 LYS 39 20.620 -8.673 -3.645 253 HZ3 LYS 39 HZ3 LYS 39 20.677 -10.083 -2.712 254 H GLY 40 H GLY 40 19.262 -2.918 1.299 255 HA2 GLY 40 HA2 GLY 40 19.653 -0.664 1.486 256 HA3 GLY 40 HA3 GLY 40 19.111 -0.564 -0.183 257 H GLY 41 H GLY 41 16.880 -1.830 2.112 258 HA2 GLY 41 HA2 GLY 41 15.136 -0.808 3.283 259 HA3 GLY 41 HA3 GLY 41 15.672 0.752 2.675 260 H LYS 42 H LYS 42 15.549 -1.316 0.102 261 HA LYS 42 HA LYS 42 12.715 -0.794 -0.455 262 HB2 LYS 42 HB2 LYS 42 13.187 0.050 -2.651 263 HB3 LYS 42 HB3 LYS 42 14.128 0.985 -1.497 264 HG2 LYS 42 HG2 LYS 42 15.933 0.556 -2.699 265 HG3 LYS 42 HG3 LYS 42 15.769 -1.149 -2.273 266 HD2 LYS 42 HD2 LYS 42 15.882 -0.967 -4.664 267 HD3 LYS 42 HD3 LYS 42 14.236 -1.421 -4.216 268 HE2 LYS 42 HE2 LYS 42 13.965 0.243 -5.840 269 HE3 LYS 42 HE3 LYS 42 13.711 1.076 -4.308 270 HZ1 LYS 42 HZ1 LYS 42 15.347 1.955 -6.213 271 HZ2 LYS 42 HZ2 LYS 42 16.441 1.054 -5.290 272 HZ3 LYS 42 HZ3 LYS 42 15.559 2.305 -4.571 273 H TRP 43 H TRP 43 11.706 -2.287 -1.784 274 HA TRP 43 HA TRP 43 12.801 -4.901 -1.794 275 HB2 TRP 43 HB2 TRP 43 10.353 -3.701 -3.086 276 HB3 TRP 43 HB3 TRP 43 10.770 -5.404 -3.256 277 HD1 TRP 43 HD1 TRP 43 8.869 -3.122 -1.079 278 HE1 TRP 43 HE1 TRP 43 8.183 -4.303 1.102 279 HE3 TRP 43 HE3 TRP 43 11.867 -7.250 -1.414 280 HZ2 TRP 43 HZ2 TRP 43 8.827 -6.672 2.496 281 HZ3 TRP 43 HZ3 TRP 43 11.772 -8.926 0.385 282 HH2 TRP 43 HH2 TRP 43 10.283 -8.640 2.299 283 H THR 44 H THR 44 14.294 -5.663 -3.124 284 HA THR 44 HA THR 44 14.344 -4.678 -5.902 285 HB THR 44 HB THR 44 16.716 -5.421 -4.180 286 HG1 THR 44 HG1 THR 44 15.704 -2.969 -5.193 287 HG21 THR 44 HG21 THR 44 16.478 -4.764 -7.106 288 HG22 THR 44 HG22 THR 44 17.273 -6.145 -6.349 289 HG23 THR 44 HG23 THR 44 17.984 -4.537 -6.217 290 H GLU 45 H GLU 45 14.512 -6.169 -7.506 291 HA GLU 45 HA GLU 45 13.789 -8.835 -6.983 292 HB2 GLU 45 HB2 GLU 45 13.516 -7.439 -9.143 293 HB3 GLU 45 HB3 GLU 45 15.150 -7.969 -9.519 294 HG2 GLU 45 HG2 GLU 45 14.477 -10.263 -9.519 295 HG3 GLU 45 HG3 GLU 45 12.871 -9.840 -8.928 296 H ILE 46 H ILE 46 14.943 -10.594 -6.516 297 HA ILE 46 HA ILE 46 17.871 -10.459 -6.834 298 HB ILE 46 HB ILE 46 18.088 -11.894 -4.855 299 HG12 ILE 46 HG12 ILE 46 15.128 -11.432 -4.445 300 HG13 ILE 46 HG13 ILE 46 15.811 -12.929 -5.069 301 HG21 ILE 46 HG21 ILE 46 16.469 -9.423 -4.257 302 HG22 ILE 46 HG22 ILE 46 17.633 -10.211 -3.194 303 HG23 ILE 46 HG23 ILE 46 18.182 -9.425 -4.674 304 HD11 ILE 46 HD11 ILE 46 15.255 -12.510 -2.486 305 HD12 ILE 46 HD12 ILE 46 16.526 -13.597 -3.044 306 HD13 ILE 46 HD13 ILE 46 16.930 -11.961 -2.524 307 H GLN 47 H GLN 47 15.004 -12.112 -7.570 308 HA GLN 47 HA GLN 47 16.506 -14.166 -8.970 309 HB2 GLN 47 HB2 GLN 47 15.882 -14.975 -6.599 310 HB3 GLN 47 HB3 GLN 47 14.233 -15.040 -7.207 311 HG2 GLN 47 HG2 GLN 47 15.631 -16.381 -9.142 312 HG3 GLN 47 HG3 GLN 47 16.471 -16.844 -7.663 313 HE21 GLN 47 HE21 GLN 47 13.411 -16.858 -9.345 314 HE22 GLN 47 HE22 GLN 47 12.678 -18.110 -8.406 315 H ASP 48 H ASP 48 15.315 -15.199 -10.634 316 HA ASP 48 HA ASP 48 12.785 -13.847 -11.311 317 HB2 ASP 48 HB2 ASP 48 14.949 -13.378 -12.713 318 HB3 ASP 48 HB3 ASP 48 14.602 -14.953 -13.422 319 H CYS 49 H CYS 49 11.131 -15.200 -11.190 320 HA CYS 49 HA CYS 49 11.491 -18.048 -11.232 321 HB2 CYS 49 HB2 CYS 49 9.305 -16.161 -10.645 322 HB3 CYS 49 HB3 CYS 49 8.788 -17.690 -11.350 323 H GLY 50 H GLY 50 10.556 -15.599 -13.513 324 HA2 GLY 50 HA2 GLY 50 10.571 -15.853 -15.843 325 HA3 GLY 50 HA3 GLY 50 10.556 -17.598 -15.631 326 H GLY 51 H GLY 51 8.329 -17.905 -14.002 327 HA2 GLY 51 HA2 GLY 51 6.168 -16.897 -15.749 328 HA3 GLY 51 HA3 GLY 51 6.194 -18.537 -15.119 329 H ALA 52 H ALA 52 4.148 -16.480 -14.811 330 HA ALA 52 HA ALA 52 4.277 -15.469 -12.140 331 HB1 ALA 52 HB1 ALA 52 1.848 -15.770 -13.900 332 HB2 ALA 52 HB2 ALA 52 2.021 -14.716 -12.496 333 HB3 ALA 52 HB3 ALA 52 2.963 -14.404 -13.954 334 H SER 53 H SER 53 4.856 -17.592 -11.171 335 HA SER 53 HA SER 53 2.425 -18.930 -10.251 336 HB2 SER 53 HB2 SER 53 4.430 -20.131 -11.976 337 HB3 SER 53 HB3 SER 53 4.276 -21.011 -10.455 338 HG SER 53 HG SER 53 2.436 -21.748 -11.126 339 H CYS 54 H CYS 54 4.997 -17.225 -9.437 340 HA CYS 54 HA CYS 54 6.105 -18.763 -7.289 341 HB2 CYS 54 HB2 CYS 54 7.216 -16.836 -8.587 342 HB3 CYS 54 HB3 CYS 54 6.280 -15.768 -7.547 343 H ARG 55 H ARG 55 5.250 -19.079 -5.351 344 HA ARG 55 HA ARG 55 3.524 -17.021 -4.183 345 HB2 ARG 55 HB2 ARG 55 2.518 -19.390 -5.285 346 HB3 ARG 55 HB3 ARG 55 2.532 -19.665 -3.549 347 HG2 ARG 55 HG2 ARG 55 1.179 -17.404 -5.002 348 HG3 ARG 55 HG3 ARG 55 0.400 -18.776 -4.211 349 HD2 ARG 55 HD2 ARG 55 1.877 -17.804 -2.170 350 HD3 ARG 55 HD3 ARG 55 1.549 -16.318 -3.060 351 HE ARG 55 HE ARG 55 -0.322 -17.873 -1.543 352 HH11 ARG 55 HH11 ARG 55 0.036 -15.652 -4.200 353 HH12 ARG 55 HH12 ARG 55 -1.591 -15.064 -4.097 354 HH21 ARG 55 HH21 ARG 55 -2.465 -17.107 -1.398 355 HH22 ARG 55 HH22 ARG 55 -3.012 -15.891 -2.502 356 H GLY 56 H GLY 56 3.707 -16.804 -1.995 357 HA2 GLY 56 HA2 GLY 56 5.351 -18.796 -0.573 358 HA3 GLY 56 HA3 GLY 56 5.738 -17.085 -0.465 359 H VAL 57 H VAL 57 5.487 -17.532 1.868 360 HA VAL 57 HA VAL 57 2.654 -17.491 2.682 361 HB VAL 57 HB VAL 57 3.372 -18.315 4.872 362 HG11 VAL 57 HG11 VAL 57 2.710 -19.937 3.192 363 HG12 VAL 57 HG12 VAL 57 4.361 -19.998 2.572 364 HG13 VAL 57 HG13 VAL 57 4.004 -20.592 4.194 365 HG21 VAL 57 HG21 VAL 57 5.672 -17.297 4.715 366 HG22 VAL 57 HG22 VAL 57 5.610 -18.935 5.367 367 HG23 VAL 57 HG23 VAL 57 6.123 -18.667 3.700 368 H SER 58 H SER 58 2.264 -16.276 4.752 369 HA SER 58 HA SER 58 2.990 -13.590 4.450 370 HB2 SER 58 HB2 SER 58 1.059 -14.830 5.840 371 HB3 SER 58 HB3 SER 58 2.188 -14.520 7.158 372 HG SER 58 HG SER 58 0.847 -12.754 6.980 373 H GLN 59 H GLN 59 4.656 -16.190 5.910 374 HA GLN 59 HA GLN 59 6.320 -14.461 7.562 375 HB2 GLN 59 HB2 GLN 59 6.784 -17.399 7.161 376 HB3 GLN 59 HB3 GLN 59 7.165 -16.401 8.558 377 HG2 GLN 59 HG2 GLN 59 4.525 -17.519 7.710 378 HG3 GLN 59 HG3 GLN 59 5.363 -17.690 9.252 379 HE21 GLN 59 HE21 GLN 59 6.016 -15.045 9.738 380 HE22 GLN 59 HE22 GLN 59 4.566 -14.149 10.019 381 H GLY 60 H GLY 60 6.218 -14.961 4.412 382 HA2 GLY 60 HA2 GLY 60 7.890 -14.220 2.915 383 HA3 GLY 60 HA3 GLY 60 9.107 -14.597 4.125 384 H GLY 61 H GLY 61 10.433 -16.079 3.305 385 HA2 GLY 61 HA2 GLY 61 11.183 -17.955 2.209 386 HA3 GLY 61 HA3 GLY 61 9.754 -18.720 2.889 387 H ALA 62 H ALA 62 9.864 -16.109 0.509 388 HA ALA 62 HA ALA 62 7.894 -17.092 -1.146 389 HB1 ALA 62 HB1 ALA 62 9.830 -15.753 -2.762 390 HB2 ALA 62 HB2 ALA 62 8.273 -15.166 -2.178 391 HB3 ALA 62 HB3 ALA 62 9.722 -14.947 -1.197 392 H ARG 63 H ARG 63 7.743 -18.659 -2.627 393 HA ARG 63 HA ARG 63 10.205 -19.833 -3.712 394 HB2 ARG 63 HB2 ARG 63 9.198 -22.099 -3.448 395 HB3 ARG 63 HB3 ARG 63 9.581 -21.312 -1.923 396 HG2 ARG 63 HG2 ARG 63 6.832 -21.034 -3.027 397 HG3 ARG 63 HG3 ARG 63 7.305 -22.558 -2.271 398 HD2 ARG 63 HD2 ARG 63 8.136 -21.078 -0.330 399 HD3 ARG 63 HD3 ARG 63 7.139 -19.820 -1.061 400 HE ARG 63 HE ARG 63 5.267 -20.912 -0.312 401 HH11 ARG 63 HH11 ARG 63 8.016 -23.036 -0.070 402 HH12 ARG 63 HH12 ARG 63 7.162 -24.252 0.821 403 HH21 ARG 63 HH21 ARG 63 4.133 -22.506 0.861 404 HH22 ARG 63 HH22 ARG 63 4.954 -23.950 1.350 405 H CYS 64 H CYS 64 10.024 -20.725 -5.775 406 HA CYS 64 HA CYS 64 8.072 -19.540 -7.455 407 HB2 CYS 64 HB2 CYS 64 10.543 -20.510 -7.893 408 HB3 CYS 64 HB3 CYS 64 9.595 -21.883 -8.455 Start of MODEL 19 1 H1 ASP 1 H ASP 1 4.299 1.246 0.865 2 HA ASP 1 HA ASP 1 2.646 0.043 -0.473 3 HB2 ASP 1 HB2 ASP 1 5.119 1.107 -1.716 4 HB3 ASP 1 HB3 ASP 1 4.079 0.134 -2.752 5 H THR 2 H THR 2 2.187 -2.064 -0.150 6 HA THR 2 HA THR 2 4.145 -4.132 -0.620 7 HB THR 2 HB THR 2 1.980 -5.596 -0.264 8 HG1 THR 2 HG1 THR 2 0.667 -4.190 1.301 9 HG21 THR 2 HG21 THR 2 2.251 -4.986 2.299 10 HG22 THR 2 HG22 THR 2 3.644 -4.091 1.692 11 HG23 THR 2 HG23 THR 2 3.522 -5.828 1.414 12 H CYS 3 H CYS 3 1.391 -2.750 -2.284 13 HA CYS 3 HA CYS 3 2.203 -3.732 -4.799 14 HB2 CYS 3 HB2 CYS 3 1.245 -5.827 -3.672 15 HB3 CYS 3 HB3 CYS 3 -0.326 -5.048 -3.823 16 H GLY 4 H GLY 4 1.089 -1.386 -3.247 17 HA2 GLY 4 HA2 GLY 4 -0.234 0.439 -3.677 18 HA3 GLY 4 HA3 GLY 4 -0.232 -0.104 -5.348 19 H GLY 5 H GLY 5 -1.463 -2.323 -3.039 20 HA2 GLY 5 HA2 GLY 5 -3.811 -2.231 -2.247 21 HA3 GLY 5 HA3 GLY 5 -4.215 -1.589 -3.832 22 H GLY 6 H GLY 6 -4.564 -4.230 -2.048 23 HA2 GLY 6 HA2 GLY 6 -5.364 -6.312 -2.699 24 HA3 GLY 6 HA3 GLY 6 -4.957 -5.916 -4.362 25 H TYR 7 H TYR 7 -2.547 -5.543 -1.908 26 HA TYR 7 HA TYR 7 -0.756 -7.301 -3.220 27 HB2 TYR 7 HB2 TYR 7 0.811 -6.725 -1.547 28 HB3 TYR 7 HB3 TYR 7 -0.180 -5.286 -1.760 29 HD1 TYR 7 HD1 TYR 7 -2.088 -4.906 -0.094 30 HD2 TYR 7 HD2 TYR 7 1.057 -7.694 0.568 31 HE1 TYR 7 HE1 TYR 7 -2.588 -4.888 2.314 32 HE2 TYR 7 HE2 TYR 7 0.565 -7.685 2.978 33 HH TYR 7 HH TYR 7 -1.690 -5.428 4.384 34 H GLY 8 H GLY 8 0.079 -9.301 -2.559 35 HA2 GLY 8 HA2 GLY 8 -1.852 -10.981 -1.206 36 HA3 GLY 8 HA3 GLY 8 -0.374 -11.512 -1.994 37 H VAL 9 H VAL 9 -0.498 -12.868 0.075 38 HA VAL 9 HA VAL 9 0.264 -11.558 2.519 39 HB VAL 9 HB VAL 9 0.594 -13.884 3.372 40 HG11 VAL 9 HG11 VAL 9 -1.584 -12.646 3.442 41 HG12 VAL 9 HG12 VAL 9 -2.057 -13.528 1.988 42 HG13 VAL 9 HG13 VAL 9 -1.728 -14.403 3.485 43 HG21 VAL 9 HG21 VAL 9 1.003 -15.487 1.883 44 HG22 VAL 9 HG22 VAL 9 -0.701 -15.407 1.434 45 HG23 VAL 9 HG23 VAL 9 0.491 -14.460 0.543 46 H ASP 10 H ASP 10 1.895 -13.305 -0.057 47 HA ASP 10 HA ASP 10 4.472 -12.691 1.237 48 HB2 ASP 10 HB2 ASP 10 3.946 -15.134 1.043 49 HB3 ASP 10 HB3 ASP 10 3.930 -14.942 -0.708 50 H GLN 11 H GLN 11 2.736 -11.161 -0.706 51 HA GLN 11 HA GLN 11 4.641 -10.955 -2.938 52 HB2 GLN 11 HB2 GLN 11 1.832 -9.854 -2.826 53 HB3 GLN 11 HB3 GLN 11 2.876 -9.962 -4.237 54 HG2 GLN 11 HG2 GLN 11 2.817 -12.530 -3.662 55 HG3 GLN 11 HG3 GLN 11 1.312 -12.078 -2.863 56 HE21 GLN 11 HE21 GLN 11 2.197 -13.541 -5.449 57 HE22 GLN 11 HE22 GLN 11 1.116 -12.905 -6.636 58 H ARG 12 H ARG 12 5.607 -9.029 -3.433 59 HA ARG 12 HA ARG 12 4.982 -6.720 -1.723 60 HB2 ARG 12 HB2 ARG 12 7.719 -7.850 -2.319 61 HB3 ARG 12 HB3 ARG 12 7.454 -6.253 -1.633 62 HG2 ARG 12 HG2 ARG 12 6.447 -8.779 -0.353 63 HG3 ARG 12 HG3 ARG 12 8.020 -8.064 0.007 64 HD2 ARG 12 HD2 ARG 12 6.848 -5.958 0.629 65 HD3 ARG 12 HD3 ARG 12 5.313 -6.798 0.408 66 HE ARG 12 HE ARG 12 6.743 -8.343 2.171 67 HH11 ARG 12 HH11 ARG 12 5.608 -5.054 2.064 68 HH12 ARG 12 HH12 ARG 12 5.441 -4.918 3.783 69 HH21 ARG 12 HH21 ARG 12 6.527 -8.176 4.436 70 HH22 ARG 12 HH22 ARG 12 5.965 -6.694 5.131 71 H ARG 13 H ARG 13 5.816 -4.664 -2.592 72 HA ARG 13 HA ARG 13 5.518 -4.623 -5.497 73 HB2 ARG 13 HB2 ARG 13 4.185 -3.129 -3.893 74 HB3 ARG 13 HB3 ARG 13 5.676 -2.219 -3.691 75 HG2 ARG 13 HG2 ARG 13 5.682 -1.514 -5.923 76 HG3 ARG 13 HG3 ARG 13 4.502 -2.735 -6.400 77 HD2 ARG 13 HD2 ARG 13 2.905 -1.217 -6.114 78 HD3 ARG 13 HD3 ARG 13 3.266 -1.233 -4.388 79 HE ARG 13 HE ARG 13 5.100 0.485 -5.365 80 HH11 ARG 13 HH11 ARG 13 1.647 0.245 -5.734 81 HH12 ARG 13 HH12 ARG 13 1.418 1.951 -5.931 82 HH21 ARG 13 HH21 ARG 13 4.812 2.733 -5.623 83 HH22 ARG 13 HH22 ARG 13 3.219 3.365 -5.868 84 H THR 14 H THR 14 7.081 -3.990 -6.885 85 HA THR 14 HA THR 14 9.786 -3.983 -5.981 86 HB THR 14 HB THR 14 8.892 -3.110 -8.722 87 HG1 THR 14 HG1 THR 14 8.975 -5.376 -9.244 88 HG21 THR 14 HG21 THR 14 11.064 -3.207 -9.211 89 HG22 THR 14 HG22 THR 14 11.158 -4.865 -8.617 90 HG23 THR 14 HG23 THR 14 11.400 -3.515 -7.508 91 H ASN 15 H ASN 15 11.289 -2.313 -5.981 92 HA ASN 15 HA ASN 15 12.064 -0.198 -5.670 93 HB2 ASN 15 HB2 ASN 15 9.968 0.159 -7.760 94 HB3 ASN 15 HB3 ASN 15 10.613 1.604 -6.987 95 HD21 ASN 15 HD21 ASN 15 12.126 -1.461 -7.915 96 HD22 ASN 15 HD22 ASN 15 13.333 -0.756 -8.930 97 H SER 16 H SER 16 9.898 -1.356 -3.964 98 HA SER 16 HA SER 16 8.738 1.142 -2.922 99 HB2 SER 16 HB2 SER 16 7.816 -1.724 -2.764 100 HB3 SER 16 HB3 SER 16 7.185 -0.487 -1.678 101 HG SER 16 HG SER 16 7.144 -0.300 -4.509 102 HA PRO 17 HA PRO 17 11.156 0.881 0.732 103 HB2 PRO 17 HB2 PRO 17 9.452 1.955 2.552 104 HB3 PRO 17 HB3 PRO 17 10.268 2.918 1.314 105 HG2 PRO 17 HG2 PRO 17 7.475 1.840 1.340 106 HG3 PRO 17 HG3 PRO 17 8.052 3.440 0.839 107 HD2 PRO 17 HD2 PRO 17 7.461 1.483 -0.936 108 HD3 PRO 17 HD3 PRO 17 8.734 2.686 -1.229 109 H CYS 18 H CYS 18 11.608 -0.618 2.240 110 HA CYS 18 HA CYS 18 9.409 -2.330 3.197 111 HB2 CYS 18 HB2 CYS 18 11.080 -4.202 3.245 112 HB3 CYS 18 HB3 CYS 18 10.674 -3.634 1.628 113 H GLN 19 H GLN 19 10.059 -3.566 5.218 114 HA GLN 19 HA GLN 19 11.048 -1.652 7.140 115 HB2 GLN 19 HB2 GLN 19 9.526 -4.170 7.210 116 HB3 GLN 19 HB3 GLN 19 10.613 -3.933 8.572 117 HG2 GLN 19 HG2 GLN 19 9.561 -1.727 8.967 118 HG3 GLN 19 HG3 GLN 19 8.413 -2.086 7.679 119 HE21 GLN 19 HE21 GLN 19 6.552 -2.878 8.321 120 HE22 GLN 19 HE22 GLN 19 6.264 -3.766 9.775 121 H ALA 20 H ALA 20 12.573 -2.414 8.877 122 HA ALA 20 HA ALA 20 15.040 -3.151 7.714 123 HB1 ALA 20 HB1 ALA 20 15.779 -2.199 9.574 124 HB2 ALA 20 HB2 ALA 20 14.135 -2.152 10.213 125 HB3 ALA 20 HB3 ALA 20 15.160 -3.554 10.518 126 H SER 21 H SER 21 12.693 -4.931 9.676 127 HA SER 21 HA SER 21 14.247 -7.289 9.926 128 HB2 SER 21 HB2 SER 21 11.896 -6.381 11.029 129 HB3 SER 21 HB3 SER 21 11.337 -7.672 9.966 130 HG SER 21 HG SER 21 12.550 -7.872 12.338 131 H ASN 22 H ASN 22 12.177 -6.040 7.442 132 HA ASN 22 HA ASN 22 11.597 -8.453 6.097 133 HB2 ASN 22 HB2 ASN 22 11.644 -5.565 5.261 134 HB3 ASN 22 HB3 ASN 22 11.331 -6.838 4.085 135 HD21 ASN 22 HD21 ASN 22 10.353 -6.563 7.471 136 HD22 ASN 22 HD22 ASN 22 8.654 -6.614 7.166 137 H GLY 23 H GLY 23 14.465 -6.601 6.356 138 HA2 GLY 23 HA2 GLY 23 15.705 -7.191 3.898 139 HA3 GLY 23 HA3 GLY 23 16.539 -6.796 5.394 140 H ASP 24 H ASP 24 14.917 -9.239 6.492 141 HA ASP 24 HA ASP 24 16.875 -11.240 5.576 142 HB2 ASP 24 HB2 ASP 24 16.874 -10.433 8.032 143 HB3 ASP 24 HB3 ASP 24 15.404 -11.390 8.196 144 H ARG 25 H ARG 25 14.366 -10.683 4.265 145 HA ARG 25 HA ARG 25 13.235 -13.366 4.391 146 HB2 ARG 25 HB2 ARG 25 11.338 -11.043 4.323 147 HB3 ARG 25 HB3 ARG 25 11.020 -12.721 4.743 148 HG2 ARG 25 HG2 ARG 25 12.340 -12.404 6.815 149 HG3 ARG 25 HG3 ARG 25 12.505 -10.697 6.402 150 HD2 ARG 25 HD2 ARG 25 10.354 -10.222 6.933 151 HD3 ARG 25 HD3 ARG 25 9.762 -11.790 6.385 152 HE ARG 25 HE ARG 25 10.431 -11.071 9.041 153 HH11 ARG 25 HH11 ARG 25 10.596 -13.719 6.786 154 HH12 ARG 25 HH12 ARG 25 10.569 -14.939 8.016 155 HH21 ARG 25 HH21 ARG 25 10.395 -12.668 10.669 156 HH22 ARG 25 HH22 ARG 25 10.454 -14.340 10.224 157 H HIS 26 H HIS 26 11.825 -13.834 2.528 158 HA HIS 26 HA HIS 26 12.484 -12.153 0.200 159 HB2 HIS 26 HB2 HIS 26 12.473 -15.159 0.442 160 HB3 HIS 26 HB3 HIS 26 12.412 -14.338 -1.115 161 HD1 HIS 26 HD1 HIS 26 14.777 -16.134 -0.538 162 HD2 HIS 26 HD2 HIS 26 14.733 -12.079 0.364 163 HE1 HIS 26 HE1 HIS 26 17.192 -15.445 -0.424 164 H PHE 27 H PHE 27 10.870 -11.721 -1.232 165 HA PHE 27 HA PHE 27 8.268 -13.013 -0.797 166 HB2 PHE 27 HB2 PHE 27 8.847 -10.058 -0.923 167 HB3 PHE 27 HB3 PHE 27 7.245 -10.709 -1.253 168 HD1 PHE 27 HD1 PHE 27 5.754 -10.811 0.485 169 HD2 PHE 27 HD2 PHE 27 9.923 -10.948 1.334 170 HE1 PHE 27 HE1 PHE 27 5.260 -10.815 2.895 171 HE2 PHE 27 HE2 PHE 27 9.435 -10.953 3.746 172 HZ PHE 27 HZ PHE 27 7.101 -10.888 4.529 173 H CYS 28 H CYS 28 7.002 -13.292 -2.611 174 HA CYS 28 HA CYS 28 8.413 -13.095 -5.141 175 HB2 CYS 28 HB2 CYS 28 5.949 -14.504 -4.186 176 HB3 CYS 28 HB3 CYS 28 6.178 -14.244 -5.913 177 H GLY 29 H GLY 29 8.153 -11.480 -6.530 178 HA2 GLY 29 HA2 GLY 29 6.737 -9.188 -6.159 179 HA3 GLY 29 HA3 GLY 29 7.128 -9.813 -7.755 180 H CYS 30 H CYS 30 4.807 -8.298 -7.060 181 HA CYS 30 HA CYS 30 2.518 -9.835 -6.625 182 HB2 CYS 30 HB2 CYS 30 3.128 -7.141 -7.581 183 HB3 CYS 30 HB3 CYS 30 1.665 -7.807 -8.299 184 H ASP 31 H ASP 31 4.535 -9.572 -9.393 185 HA ASP 31 HA ASP 31 2.552 -10.494 -11.276 186 HB2 ASP 31 HB2 ASP 31 5.490 -10.596 -11.837 187 HB3 ASP 31 HB3 ASP 31 4.159 -10.193 -12.919 188 H ARG 32 H ARG 32 4.457 -11.941 -8.923 189 HA ARG 32 HA ARG 32 4.974 -14.094 -8.401 190 HB2 ARG 32 HB2 ARG 32 2.840 -14.801 -10.421 191 HB3 ARG 32 HB3 ARG 32 3.433 -15.820 -9.116 192 HG2 ARG 32 HG2 ARG 32 2.373 -14.542 -7.476 193 HG3 ARG 32 HG3 ARG 32 2.152 -13.169 -8.563 194 HD2 ARG 32 HD2 ARG 32 0.070 -14.467 -8.103 195 HD3 ARG 32 HD3 ARG 32 0.485 -14.335 -9.812 196 HE ARG 32 HE ARG 32 1.597 -16.702 -8.854 197 HH11 ARG 32 HH11 ARG 32 -1.552 -15.306 -9.362 198 HH12 ARG 32 HH12 ARG 32 -2.329 -16.832 -9.631 199 HH21 ARG 32 HH21 ARG 32 0.586 -18.716 -9.207 200 HH22 ARG 32 HH22 ARG 32 -1.111 -18.770 -9.542 201 H THR 33 H THR 33 6.102 -12.721 -10.897 202 HA THR 33 HA THR 33 7.045 -15.131 -12.299 203 HB THR 33 HB THR 33 7.796 -13.539 -14.088 204 HG1 THR 33 HG1 THR 33 7.872 -11.562 -13.190 205 HG21 THR 33 HG21 THR 33 5.805 -14.662 -14.583 206 HG22 THR 33 HG22 THR 33 5.386 -12.962 -14.801 207 HG23 THR 33 HG23 THR 33 4.904 -13.809 -13.331 208 H GLY 34 H GLY 34 7.970 -12.716 -10.109 209 HA2 GLY 34 HA2 GLY 34 10.740 -13.642 -10.247 210 HA3 GLY 34 HA3 GLY 34 10.463 -11.917 -10.443 211 H ILE 35 H ILE 35 12.003 -13.126 -8.376 212 HA ILE 35 HA ILE 35 10.325 -12.636 -6.007 213 HB ILE 35 HB ILE 35 13.016 -13.995 -6.040 214 HG12 ILE 35 HG12 ILE 35 10.259 -15.241 -6.091 215 HG13 ILE 35 HG13 ILE 35 11.440 -15.292 -7.396 216 HG21 ILE 35 HG21 ILE 35 12.271 -13.005 -3.905 217 HG22 ILE 35 HG22 ILE 35 10.819 -14.002 -3.977 218 HG23 ILE 35 HG23 ILE 35 12.403 -14.762 -3.832 219 HD11 ILE 35 HD11 ILE 35 11.151 -17.019 -5.128 220 HD12 ILE 35 HD12 ILE 35 12.179 -17.194 -6.551 221 HD13 ILE 35 HD13 ILE 35 12.759 -16.296 -5.149 222 H VAL 36 H VAL 36 10.738 -10.947 -4.721 223 HA VAL 36 HA VAL 36 13.238 -9.448 -5.168 224 HB VAL 36 HB VAL 36 12.078 -7.382 -4.744 225 HG11 VAL 36 HG11 VAL 36 10.768 -9.162 -6.781 226 HG12 VAL 36 HG12 VAL 36 10.390 -7.444 -6.642 227 HG13 VAL 36 HG13 VAL 36 12.033 -7.959 -7.027 228 HG21 VAL 36 HG21 VAL 36 9.365 -7.974 -4.775 229 HG22 VAL 36 HG22 VAL 36 10.058 -9.149 -3.658 230 HG23 VAL 36 HG23 VAL 36 10.308 -7.424 -3.390 231 H GLU 37 H GLU 37 14.305 -8.632 -3.391 232 HA GLU 37 HA GLU 37 13.234 -9.418 -0.761 233 HB2 GLU 37 HB2 GLU 37 15.051 -10.897 -1.261 234 HB3 GLU 37 HB3 GLU 37 16.070 -9.562 -1.782 235 HG2 GLU 37 HG2 GLU 37 16.192 -8.724 0.480 236 HG3 GLU 37 HG3 GLU 37 15.083 -9.979 1.031 237 H CYS 38 H CYS 38 13.697 -8.056 0.998 238 HA CYS 38 HA CYS 38 13.733 -5.290 0.385 239 HB2 CYS 38 HB2 CYS 38 12.550 -6.018 2.338 240 HB3 CYS 38 HB3 CYS 38 13.990 -6.788 2.995 241 H LYS 39 H LYS 39 15.544 -4.512 -0.552 242 HA LYS 39 HA LYS 39 18.055 -4.797 0.963 243 HB2 LYS 39 HB2 LYS 39 17.728 -4.681 -2.041 244 HB3 LYS 39 HB3 LYS 39 19.269 -4.668 -1.193 245 HG2 LYS 39 HG2 LYS 39 18.170 -6.900 -0.156 246 HG3 LYS 39 HG3 LYS 39 17.436 -6.896 -1.761 247 HD2 LYS 39 HD2 LYS 39 19.466 -7.115 -2.835 248 HD3 LYS 39 HD3 LYS 39 20.370 -6.413 -1.492 249 HE2 LYS 39 HE2 LYS 39 19.591 -8.528 -0.203 250 HE3 LYS 39 HE3 LYS 39 19.295 -9.188 -1.810 251 HZ1 LYS 39 HZ1 LYS 39 21.894 -8.075 -0.903 252 HZ2 LYS 39 HZ2 LYS 39 21.586 -8.843 -2.378 253 HZ3 LYS 39 HZ3 LYS 39 21.515 -9.724 -0.936 254 H GLY 40 H GLY 40 19.199 -2.963 1.350 255 HA2 GLY 40 HA2 GLY 40 19.611 -0.716 1.568 256 HA3 GLY 40 HA3 GLY 40 19.122 -0.593 -0.116 257 H GLY 41 H GLY 41 16.816 -1.854 2.112 258 HA2 GLY 41 HA2 GLY 41 15.043 -0.829 3.232 259 HA3 GLY 41 HA3 GLY 41 15.616 0.731 2.662 260 H LYS 42 H LYS 42 15.525 -1.360 0.084 261 HA LYS 42 HA LYS 42 12.731 -0.745 -0.569 262 HB2 LYS 42 HB2 LYS 42 13.272 0.112 -2.717 263 HB3 LYS 42 HB3 LYS 42 14.314 0.951 -1.575 264 HG2 LYS 42 HG2 LYS 42 16.038 0.381 -2.838 265 HG3 LYS 42 HG3 LYS 42 15.759 -1.300 -2.375 266 HD2 LYS 42 HD2 LYS 42 15.822 -1.172 -4.771 267 HD3 LYS 42 HD3 LYS 42 14.158 -1.490 -4.273 268 HE2 LYS 42 HE2 LYS 42 14.001 0.160 -5.940 269 HE3 LYS 42 HE3 LYS 42 13.797 1.021 -4.415 270 HZ1 LYS 42 HZ1 LYS 42 16.047 1.775 -4.522 271 HZ2 LYS 42 HZ2 LYS 42 15.305 2.141 -5.997 272 HZ3 LYS 42 HZ3 LYS 42 16.367 0.829 -5.887 273 H TRP 43 H TRP 43 11.716 -2.208 -1.936 274 HA TRP 43 HA TRP 43 12.747 -4.860 -1.891 275 HB2 TRP 43 HB2 TRP 43 10.327 -3.622 -3.202 276 HB3 TRP 43 HB3 TRP 43 10.705 -5.337 -3.338 277 HD1 TRP 43 HD1 TRP 43 8.826 -2.988 -1.229 278 HE1 TRP 43 HE1 TRP 43 8.118 -4.104 0.979 279 HE3 TRP 43 HE3 TRP 43 11.791 -7.148 -1.434 280 HZ2 TRP 43 HZ2 TRP 43 8.734 -6.438 2.442 281 HZ3 TRP 43 HZ3 TRP 43 11.672 -8.772 0.410 282 HH2 TRP 43 HH2 TRP 43 10.175 -8.423 2.307 283 H THR 44 H THR 44 14.227 -5.659 -3.214 284 HA THR 44 HA THR 44 14.273 -4.724 -6.008 285 HB THR 44 HB THR 44 16.686 -5.463 -4.341 286 HG1 THR 44 HG1 THR 44 17.062 -3.313 -4.204 287 HG21 THR 44 HG21 THR 44 17.683 -4.210 -6.495 288 HG22 THR 44 HG22 THR 44 16.259 -4.951 -7.225 289 HG23 THR 44 HG23 THR 44 17.461 -5.958 -6.419 290 H GLU 45 H GLU 45 14.497 -6.253 -7.580 291 HA GLU 45 HA GLU 45 13.780 -8.911 -6.992 292 HB2 GLU 45 HB2 GLU 45 13.460 -7.620 -9.179 293 HB3 GLU 45 HB3 GLU 45 15.131 -8.033 -9.537 294 HG2 GLU 45 HG2 GLU 45 14.633 -10.363 -9.537 295 HG3 GLU 45 HG3 GLU 45 13.006 -10.070 -8.925 296 H ILE 46 H ILE 46 14.946 -10.645 -6.467 297 HA ILE 46 HA ILE 46 17.876 -10.484 -6.752 298 HB ILE 46 HB ILE 46 18.087 -11.883 -4.759 299 HG12 ILE 46 HG12 ILE 46 15.102 -11.538 -4.422 300 HG13 ILE 46 HG13 ILE 46 15.859 -13.008 -5.026 301 HG21 ILE 46 HG21 ILE 46 17.453 -10.219 -3.099 302 HG22 ILE 46 HG22 ILE 46 18.128 -9.446 -4.533 303 HG23 ILE 46 HG23 ILE 46 16.385 -9.443 -4.268 304 HD11 ILE 46 HD11 ILE 46 16.955 -12.063 -2.490 305 HD12 ILE 46 HD12 ILE 46 15.250 -12.510 -2.428 306 HD13 ILE 46 HD13 ILE 46 16.448 -13.678 -2.983 307 H GLN 47 H GLN 47 15.044 -12.179 -7.532 308 HA GLN 47 HA GLN 47 16.584 -14.196 -8.930 309 HB2 GLN 47 HB2 GLN 47 15.837 -14.911 -6.461 310 HB3 GLN 47 HB3 GLN 47 14.350 -15.305 -7.313 311 HG2 GLN 47 HG2 GLN 47 16.995 -16.288 -8.305 312 HG3 GLN 47 HG3 GLN 47 16.136 -17.127 -7.015 313 HE21 GLN 47 HE21 GLN 47 13.810 -17.624 -7.524 314 HE22 GLN 47 HE22 GLN 47 13.464 -18.188 -9.119 315 H ASP 48 H ASP 48 15.368 -15.316 -10.541 316 HA ASP 48 HA ASP 48 12.831 -13.976 -11.221 317 HB2 ASP 48 HB2 ASP 48 14.517 -13.340 -12.818 318 HB3 ASP 48 HB3 ASP 48 15.010 -15.017 -13.038 319 H CYS 49 H CYS 49 11.094 -15.230 -11.289 320 HA CYS 49 HA CYS 49 11.383 -18.101 -11.037 321 HB2 CYS 49 HB2 CYS 49 9.101 -16.168 -10.823 322 HB3 CYS 49 HB3 CYS 49 8.770 -17.884 -11.033 323 H GLY 50 H GLY 50 10.679 -15.793 -13.503 324 HA2 GLY 50 HA2 GLY 50 10.649 -16.185 -15.800 325 HA3 GLY 50 HA3 GLY 50 10.591 -17.912 -15.479 326 H GLY 51 H GLY 51 8.372 -18.287 -14.029 327 HA2 GLY 51 HA2 GLY 51 6.250 -17.307 -15.833 328 HA3 GLY 51 HA3 GLY 51 6.228 -18.869 -15.028 329 H ALA 52 H ALA 52 4.229 -16.734 -14.995 330 HA ALA 52 HA ALA 52 4.335 -15.498 -12.406 331 HB1 ALA 52 HB1 ALA 52 3.184 -14.447 -14.307 332 HB2 ALA 52 HB2 ALA 52 2.004 -15.758 -14.302 333 HB3 ALA 52 HB3 ALA 52 2.117 -14.666 -12.921 334 H SER 53 H SER 53 4.729 -17.603 -11.289 335 HA SER 53 HA SER 53 2.187 -18.648 -10.317 336 HB2 SER 53 HB2 SER 53 4.043 -20.156 -11.989 337 HB3 SER 53 HB3 SER 53 3.735 -20.948 -10.444 338 HG SER 53 HG SER 53 1.799 -20.092 -12.336 339 H CYS 54 H CYS 54 4.804 -17.119 -9.534 340 HA CYS 54 HA CYS 54 5.917 -18.691 -7.418 341 HB2 CYS 54 HB2 CYS 54 6.995 -16.730 -8.736 342 HB3 CYS 54 HB3 CYS 54 6.144 -15.700 -7.589 343 H ARG 55 H ARG 55 5.099 -19.011 -5.464 344 HA ARG 55 HA ARG 55 3.407 -16.945 -4.257 345 HB2 ARG 55 HB2 ARG 55 2.387 -19.328 -5.327 346 HB3 ARG 55 HB3 ARG 55 2.424 -19.580 -3.588 347 HG2 ARG 55 HG2 ARG 55 1.047 -17.343 -5.057 348 HG3 ARG 55 HG3 ARG 55 0.284 -18.699 -4.224 349 HD2 ARG 55 HD2 ARG 55 1.796 -17.687 -2.230 350 HD3 ARG 55 HD3 ARG 55 1.454 -16.219 -3.144 351 HE ARG 55 HE ARG 55 -0.711 -16.323 -2.420 352 HH11 ARG 55 HH11 ARG 55 0.791 -19.427 -1.940 353 HH12 ARG 55 HH12 ARG 55 -0.550 -20.087 -1.065 354 HH21 ARG 55 HH21 ARG 55 -2.484 -17.180 -1.269 355 HH22 ARG 55 HH22 ARG 55 -2.413 -18.808 -0.684 356 H GLY 56 H GLY 56 3.617 -16.739 -2.065 357 HA2 GLY 56 HA2 GLY 56 5.311 -18.718 -0.684 358 HA3 GLY 56 HA3 GLY 56 5.680 -17.003 -0.575 359 H VAL 57 H VAL 57 5.478 -17.448 1.759 360 HA VAL 57 HA VAL 57 2.662 -17.469 2.630 361 HB VAL 57 HB VAL 57 3.493 -18.217 4.835 362 HG11 VAL 57 HG11 VAL 57 3.871 -19.806 2.354 363 HG12 VAL 57 HG12 VAL 57 4.433 -20.499 3.876 364 HG13 VAL 57 HG13 VAL 57 2.741 -20.039 3.687 365 HG21 VAL 57 HG21 VAL 57 5.745 -18.848 5.205 366 HG22 VAL 57 HG22 VAL 57 6.156 -18.657 3.501 367 HG23 VAL 57 HG23 VAL 57 5.798 -17.238 4.486 368 H SER 58 H SER 58 2.243 -16.226 4.654 369 HA SER 58 HA SER 58 2.941 -13.533 4.328 370 HB2 SER 58 HB2 SER 58 0.911 -14.482 5.540 371 HB3 SER 58 HB3 SER 58 1.977 -14.746 6.920 372 HG SER 58 HG SER 58 1.166 -12.762 7.265 373 H GLN 59 H GLN 59 4.623 -16.096 5.823 374 HA GLN 59 HA GLN 59 6.258 -14.307 7.453 375 HB2 GLN 59 HB2 GLN 59 6.376 -17.316 7.186 376 HB3 GLN 59 HB3 GLN 59 7.258 -16.344 8.356 377 HG2 GLN 59 HG2 GLN 59 5.578 -16.618 9.763 378 HG3 GLN 59 HG3 GLN 59 4.573 -15.651 8.685 379 HE21 GLN 59 HE21 GLN 59 2.776 -16.574 8.033 380 HE22 GLN 59 HE22 GLN 59 2.479 -18.273 7.929 381 H GLY 60 H GLY 60 6.203 -14.896 4.340 382 HA2 GLY 60 HA2 GLY 60 7.930 -14.243 2.859 383 HA3 GLY 60 HA3 GLY 60 9.111 -14.661 4.090 384 H GLY 61 H GLY 61 10.388 -16.164 3.210 385 HA2 GLY 61 HA2 GLY 61 11.058 -18.085 2.142 386 HA3 GLY 61 HA3 GLY 61 9.626 -18.797 2.872 387 H ALA 62 H ALA 62 9.965 -16.316 0.348 388 HA ALA 62 HA ALA 62 7.859 -17.287 -1.220 389 HB1 ALA 62 HB1 ALA 62 9.762 -15.945 -2.874 390 HB2 ALA 62 HB2 ALA 62 8.206 -15.368 -2.275 391 HB3 ALA 62 HB3 ALA 62 9.666 -15.126 -1.314 392 H ARG 63 H ARG 63 7.722 -18.728 -2.861 393 HA ARG 63 HA ARG 63 10.190 -19.994 -3.821 394 HB2 ARG 63 HB2 ARG 63 8.992 -22.208 -3.735 395 HB3 ARG 63 HB3 ARG 63 9.416 -21.528 -2.170 396 HG2 ARG 63 HG2 ARG 63 6.717 -20.958 -3.277 397 HG3 ARG 63 HG3 ARG 63 7.045 -22.563 -2.619 398 HD2 ARG 63 HD2 ARG 63 8.019 -21.211 -0.604 399 HD3 ARG 63 HD3 ARG 63 7.011 -19.913 -1.243 400 HE ARG 63 HE ARG 63 5.315 -22.023 -1.104 401 HH11 ARG 63 HH11 ARG 63 7.453 -20.495 1.179 402 HH12 ARG 63 HH12 ARG 63 6.472 -20.880 2.554 403 HH21 ARG 63 HH21 ARG 63 4.014 -22.536 0.698 404 HH22 ARG 63 HH22 ARG 63 4.516 -22.042 2.280 405 H CYS 64 H CYS 64 10.142 -20.717 -5.935 406 HA CYS 64 HA CYS 64 8.145 -19.498 -7.611 407 HB2 CYS 64 HB2 CYS 64 10.552 -21.211 -8.255 408 HB3 CYS 64 HB3 CYS 64 9.512 -20.476 -9.471 Start of MODEL 20 1 H1 ASP 1 H ASP 1 4.076 1.150 1.110 2 HA ASP 1 HA ASP 1 2.531 0.054 -0.244 3 HB2 ASP 1 HB2 ASP 1 4.405 0.065 -2.490 4 HB3 ASP 1 HB3 ASP 1 2.900 0.956 -2.274 5 H THR 2 H THR 2 1.968 -2.010 -0.089 6 HA THR 2 HA THR 2 3.914 -4.128 -0.388 7 HB THR 2 HB THR 2 1.762 -5.569 -0.061 8 HG1 THR 2 HG1 THR 2 0.809 -3.159 1.083 9 HG21 THR 2 HG21 THR 2 2.849 -5.769 1.880 10 HG22 THR 2 HG22 THR 2 1.879 -4.420 2.472 11 HG23 THR 2 HG23 THR 2 3.471 -4.123 1.775 12 H CYS 3 H CYS 3 1.230 -2.774 -2.198 13 HA CYS 3 HA CYS 3 2.146 -3.792 -4.659 14 HB2 CYS 3 HB2 CYS 3 1.202 -5.890 -3.567 15 HB3 CYS 3 HB3 CYS 3 -0.383 -5.139 -3.717 16 H GLY 4 H GLY 4 0.910 -1.450 -3.168 17 HA2 GLY 4 HA2 GLY 4 -0.429 0.343 -3.676 18 HA3 GLY 4 HA3 GLY 4 -0.327 -0.207 -5.342 19 H GLY 5 H GLY 5 -1.628 -2.444 -3.092 20 HA2 GLY 5 HA2 GLY 5 -4.025 -2.374 -2.428 21 HA3 GLY 5 HA3 GLY 5 -4.346 -1.791 -4.054 22 H GLY 6 H GLY 6 -4.737 -4.387 -2.210 23 HA2 GLY 6 HA2 GLY 6 -5.426 -6.515 -2.823 24 HA3 GLY 6 HA3 GLY 6 -4.977 -6.148 -4.482 25 H TYR 7 H TYR 7 -2.667 -5.638 -1.954 26 HA TYR 7 HA TYR 7 -0.759 -7.336 -3.159 27 HB2 TYR 7 HB2 TYR 7 0.699 -6.709 -1.409 28 HB3 TYR 7 HB3 TYR 7 -0.333 -5.307 -1.669 29 HD1 TYR 7 HD1 TYR 7 0.853 -7.705 0.708 30 HD2 TYR 7 HD2 TYR 7 -2.315 -4.980 -0.095 31 HE1 TYR 7 HE1 TYR 7 0.242 -7.723 3.090 32 HE2 TYR 7 HE2 TYR 7 -2.934 -4.990 2.286 33 HH TYR 7 HH TYR 7 -1.349 -5.598 4.597 34 H GLY 8 H GLY 8 0.126 -9.301 -2.446 35 HA2 GLY 8 HA2 GLY 8 -1.811 -11.041 -1.160 36 HA3 GLY 8 HA3 GLY 8 -0.314 -11.537 -1.935 37 H VAL 9 H VAL 9 -0.427 -12.910 0.121 38 HA VAL 9 HA VAL 9 0.279 -11.603 2.582 39 HB VAL 9 HB VAL 9 0.618 -13.904 3.448 40 HG11 VAL 9 HG11 VAL 9 -1.975 -13.876 1.954 41 HG12 VAL 9 HG12 VAL 9 -1.644 -14.387 3.611 42 HG13 VAL 9 HG13 VAL 9 -1.648 -12.671 3.200 43 HG21 VAL 9 HG21 VAL 9 0.578 -14.504 0.594 44 HG22 VAL 9 HG22 VAL 9 1.238 -15.435 1.938 45 HG23 VAL 9 HG23 VAL 9 -0.477 -15.551 1.544 46 H ASP 10 H ASP 10 1.975 -13.295 0.013 47 HA ASP 10 HA ASP 10 4.524 -12.635 1.339 48 HB2 ASP 10 HB2 ASP 10 4.062 -15.085 1.126 49 HB3 ASP 10 HB3 ASP 10 4.044 -14.884 -0.624 50 H GLN 11 H GLN 11 2.775 -11.128 -0.612 51 HA GLN 11 HA GLN 11 4.720 -10.844 -2.803 52 HB2 GLN 11 HB2 GLN 11 1.884 -9.820 -2.799 53 HB3 GLN 11 HB3 GLN 11 2.967 -9.992 -4.174 54 HG2 GLN 11 HG2 GLN 11 2.915 -12.519 -3.535 55 HG3 GLN 11 HG3 GLN 11 1.425 -12.073 -2.704 56 HE21 GLN 11 HE21 GLN 11 2.259 -13.591 -5.273 57 HE22 GLN 11 HE22 GLN 11 1.133 -13.006 -6.445 58 H ARG 12 H ARG 12 5.647 -8.895 -3.228 59 HA ARG 12 HA ARG 12 4.842 -6.607 -1.566 60 HB2 ARG 12 HB2 ARG 12 7.627 -7.690 -1.976 61 HB3 ARG 12 HB3 ARG 12 7.322 -6.051 -1.417 62 HG2 ARG 12 HG2 ARG 12 6.170 -8.429 -0.002 63 HG3 ARG 12 HG3 ARG 12 7.802 -7.845 0.333 64 HD2 ARG 12 HD2 ARG 12 6.741 -5.565 0.708 65 HD3 ARG 12 HD3 ARG 12 5.190 -6.404 0.710 66 HE ARG 12 HE ARG 12 7.194 -6.441 2.784 67 HH11 ARG 12 HH11 ARG 12 4.420 -8.038 1.414 68 HH12 ARG 12 HH12 ARG 12 4.001 -8.854 2.884 69 HH21 ARG 12 HH21 ARG 12 6.652 -7.510 4.725 70 HH22 ARG 12 HH22 ARG 12 5.271 -8.552 4.767 71 H ARG 13 H ARG 13 5.628 -4.521 -2.400 72 HA ARG 13 HA ARG 13 5.425 -4.478 -5.305 73 HB2 ARG 13 HB2 ARG 13 4.025 -2.980 -3.868 74 HB3 ARG 13 HB3 ARG 13 5.497 -2.151 -3.379 75 HG2 ARG 13 HG2 ARG 13 5.090 -0.776 -5.079 76 HG3 ARG 13 HG3 ARG 13 5.655 -2.088 -6.115 77 HD2 ARG 13 HD2 ARG 13 3.225 -2.916 -6.043 78 HD3 ARG 13 HD3 ARG 13 2.840 -1.309 -5.429 79 HE ARG 13 HE ARG 13 3.062 -0.517 -7.553 80 HH11 ARG 13 HH11 ARG 13 4.800 -3.524 -7.309 81 HH12 ARG 13 HH12 ARG 13 5.206 -3.576 -8.993 82 HH21 ARG 13 HH21 ARG 13 3.591 -0.574 -9.771 83 HH22 ARG 13 HH22 ARG 13 4.519 -1.897 -10.392 84 H THR 14 H THR 14 7.043 -3.973 -6.659 85 HA THR 14 HA THR 14 9.721 -3.939 -5.712 86 HB THR 14 HB THR 14 8.852 -3.118 -8.481 87 HG1 THR 14 HG1 THR 14 8.880 -5.652 -7.248 88 HG21 THR 14 HG21 THR 14 11.136 -4.786 -8.448 89 HG22 THR 14 HG22 THR 14 11.369 -3.561 -7.201 90 HG23 THR 14 HG23 THR 14 11.045 -3.076 -8.865 91 H ASN 15 H ASN 15 11.246 -2.282 -5.738 92 HA ASN 15 HA ASN 15 12.047 -0.167 -5.493 93 HB2 ASN 15 HB2 ASN 15 9.947 0.125 -7.558 94 HB3 ASN 15 HB3 ASN 15 10.434 1.610 -6.747 95 HD21 ASN 15 HD21 ASN 15 12.229 -1.284 -7.728 96 HD22 ASN 15 HD22 ASN 15 13.392 -0.445 -8.692 97 H SER 16 H SER 16 9.849 -1.328 -3.763 98 HA SER 16 HA SER 16 8.795 1.181 -2.644 99 HB2 SER 16 HB2 SER 16 6.854 0.115 -2.246 100 HB3 SER 16 HB3 SER 16 7.473 -1.183 -3.266 101 HG SER 16 HG SER 16 6.994 -2.171 -1.390 102 HA PRO 17 HA PRO 17 11.276 0.806 0.957 103 HB2 PRO 17 HB2 PRO 17 9.623 1.852 2.840 104 HB3 PRO 17 HB3 PRO 17 10.422 2.837 1.608 105 HG2 PRO 17 HG2 PRO 17 7.619 1.786 1.670 106 HG3 PRO 17 HG3 PRO 17 8.202 3.393 1.195 107 HD2 PRO 17 HD2 PRO 17 7.551 1.485 -0.613 108 HD3 PRO 17 HD3 PRO 17 8.830 2.682 -0.905 109 H CYS 18 H CYS 18 11.746 -0.743 2.405 110 HA CYS 18 HA CYS 18 9.554 -2.481 3.334 111 HB2 CYS 18 HB2 CYS 18 11.188 -4.346 3.337 112 HB3 CYS 18 HB3 CYS 18 10.918 -3.686 1.727 113 H GLN 19 H GLN 19 10.214 -3.756 5.338 114 HA GLN 19 HA GLN 19 11.122 -1.857 7.315 115 HB2 GLN 19 HB2 GLN 19 9.662 -4.410 7.307 116 HB3 GLN 19 HB3 GLN 19 10.730 -4.188 8.685 117 HG2 GLN 19 HG2 GLN 19 9.296 -2.811 9.651 118 HG3 GLN 19 HG3 GLN 19 9.227 -1.793 8.214 119 HE21 GLN 19 HE21 GLN 19 8.160 -5.086 9.009 120 HE22 GLN 19 HE22 GLN 19 6.533 -4.872 8.468 121 H ALA 20 H ALA 20 12.642 -2.614 9.057 122 HA ALA 20 HA ALA 20 15.144 -3.261 7.913 123 HB1 ALA 20 HB1 ALA 20 14.617 -1.922 10.051 124 HB2 ALA 20 HB2 ALA 20 14.583 -3.497 10.846 125 HB3 ALA 20 HB3 ALA 20 16.049 -2.951 10.031 126 H SER 21 H SER 21 12.792 -5.144 9.758 127 HA SER 21 HA SER 21 14.424 -7.469 9.978 128 HB2 SER 21 HB2 SER 21 12.666 -8.403 11.125 129 HB3 SER 21 HB3 SER 21 12.224 -6.703 11.277 130 HG SER 21 HG SER 21 10.443 -7.277 10.336 131 H ASN 22 H ASN 22 12.332 -6.197 7.533 132 HA ASN 22 HA ASN 22 11.732 -8.570 6.144 133 HB2 ASN 22 HB2 ASN 22 11.688 -5.665 5.527 134 HB3 ASN 22 HB3 ASN 22 11.707 -6.766 4.152 135 HD21 ASN 22 HD21 ASN 22 10.192 -8.821 4.897 136 HD22 ASN 22 HD22 ASN 22 8.578 -8.314 5.248 137 H GLY 23 H GLY 23 14.637 -6.779 6.444 138 HA2 GLY 23 HA2 GLY 23 15.884 -7.372 3.992 139 HA3 GLY 23 HA3 GLY 23 16.715 -7.013 5.499 140 H ASP 24 H ASP 24 15.044 -9.426 6.570 141 HA ASP 24 HA ASP 24 16.950 -11.466 5.627 142 HB2 ASP 24 HB2 ASP 24 16.893 -10.632 8.118 143 HB3 ASP 24 HB3 ASP 24 15.501 -11.705 8.238 144 H ARG 25 H ARG 25 14.437 -10.833 4.348 145 HA ARG 25 HA ARG 25 13.246 -13.492 4.460 146 HB2 ARG 25 HB2 ARG 25 11.415 -11.112 4.444 147 HB3 ARG 25 HB3 ARG 25 11.043 -12.789 4.821 148 HG2 ARG 25 HG2 ARG 25 12.400 -12.563 6.891 149 HG3 ARG 25 HG3 ARG 25 12.582 -10.846 6.526 150 HD2 ARG 25 HD2 ARG 25 10.568 -10.386 7.353 151 HD3 ARG 25 HD3 ARG 25 9.817 -11.642 6.370 152 HE ARG 25 HE ARG 25 11.052 -12.960 8.444 153 HH11 ARG 25 HH11 ARG 25 8.598 -10.513 8.113 154 HH12 ARG 25 HH12 ARG 25 7.761 -10.971 9.559 155 HH21 ARG 25 HH21 ARG 25 9.959 -13.573 10.350 156 HH22 ARG 25 HH22 ARG 25 8.537 -12.712 10.831 157 H HIS 26 H HIS 26 11.900 -13.969 2.593 158 HA HIS 26 HA HIS 26 12.559 -12.271 0.275 159 HB2 HIS 26 HB2 HIS 26 12.446 -15.275 0.511 160 HB3 HIS 26 HB3 HIS 26 12.392 -14.453 -1.045 161 HD1 HIS 26 HD1 HIS 26 14.700 -16.285 -0.651 162 HD2 HIS 26 HD2 HIS 26 14.808 -12.311 0.555 163 HE1 HIS 26 HE1 HIS 26 17.140 -15.686 -0.529 164 H PHE 27 H PHE 27 10.962 -11.816 -1.182 165 HA PHE 27 HA PHE 27 8.312 -12.994 -0.717 166 HB2 PHE 27 HB2 PHE 27 9.010 -10.066 -0.854 167 HB3 PHE 27 HB3 PHE 27 7.384 -10.649 -1.195 168 HD1 PHE 27 HD1 PHE 27 5.875 -10.713 0.531 169 HD2 PHE 27 HD2 PHE 27 10.031 -10.968 1.413 170 HE1 PHE 27 HE1 PHE 27 5.362 -10.692 2.937 171 HE2 PHE 27 HE2 PHE 27 9.524 -10.949 3.820 172 HZ PHE 27 HZ PHE 27 7.188 -10.811 4.586 173 H CYS 28 H CYS 28 7.017 -13.217 -2.524 174 HA CYS 28 HA CYS 28 8.426 -13.037 -5.068 175 HB2 CYS 28 HB2 CYS 28 5.985 -14.487 -4.103 176 HB3 CYS 28 HB3 CYS 28 6.227 -14.239 -5.830 177 H GLY 29 H GLY 29 8.114 -11.429 -6.455 178 HA2 GLY 29 HA2 GLY 29 6.660 -9.165 -6.062 179 HA3 GLY 29 HA3 GLY 29 7.040 -9.781 -7.664 180 H CYS 30 H CYS 30 4.701 -8.312 -6.937 181 HA CYS 30 HA CYS 30 2.447 -9.890 -6.470 182 HB2 CYS 30 HB2 CYS 30 2.994 -7.182 -7.202 183 HB3 CYS 30 HB3 CYS 30 1.720 -7.796 -8.252 184 H ASP 31 H ASP 31 4.421 -9.595 -9.265 185 HA ASP 31 HA ASP 31 2.427 -10.567 -11.115 186 HB2 ASP 31 HB2 ASP 31 5.394 -10.065 -11.375 187 HB3 ASP 31 HB3 ASP 31 4.403 -10.694 -12.689 188 H ARG 32 H ARG 32 4.406 -11.958 -8.793 189 HA ARG 32 HA ARG 32 4.998 -14.094 -8.281 190 HB2 ARG 32 HB2 ARG 32 2.870 -14.905 -10.265 191 HB3 ARG 32 HB3 ARG 32 3.481 -15.850 -8.914 192 HG2 ARG 32 HG2 ARG 32 1.936 -14.998 -7.583 193 HG3 ARG 32 HG3 ARG 32 2.503 -13.363 -7.927 194 HD2 ARG 32 HD2 ARG 32 0.238 -13.381 -8.560 195 HD3 ARG 32 HD3 ARG 32 1.144 -13.504 -10.067 196 HE ARG 32 HE ARG 32 0.619 -16.093 -9.297 197 HH11 ARG 32 HH11 ARG 32 -1.245 -13.257 -10.070 198 HH12 ARG 32 HH12 ARG 32 -2.600 -14.152 -10.674 199 HH21 ARG 32 HH21 ARG 32 -1.159 -17.283 -10.089 200 HH22 ARG 32 HH22 ARG 32 -2.550 -16.442 -10.683 201 H THR 33 H THR 33 6.053 -12.697 -10.786 202 HA THR 33 HA THR 33 7.024 -15.082 -12.213 203 HB THR 33 HB THR 33 7.707 -13.464 -14.010 204 HG1 THR 33 HG1 THR 33 7.683 -11.449 -13.332 205 HG21 THR 33 HG21 THR 33 4.835 -13.821 -13.210 206 HG22 THR 33 HG22 THR 33 5.743 -14.642 -14.480 207 HG23 THR 33 HG23 THR 33 5.270 -12.955 -14.683 208 H GLY 34 H GLY 34 7.928 -12.703 -9.997 209 HA2 GLY 34 HA2 GLY 34 10.716 -13.543 -10.201 210 HA3 GLY 34 HA3 GLY 34 10.398 -11.825 -10.387 211 H ILE 35 H ILE 35 11.985 -13.061 -8.343 212 HA ILE 35 HA ILE 35 10.343 -12.566 -5.950 213 HB ILE 35 HB ILE 35 13.028 -13.934 -6.000 214 HG12 ILE 35 HG12 ILE 35 10.276 -15.190 -6.084 215 HG13 ILE 35 HG13 ILE 35 11.457 -15.210 -7.389 216 HG21 ILE 35 HG21 ILE 35 11.859 -12.878 -3.893 217 HG22 ILE 35 HG22 ILE 35 10.928 -14.374 -3.939 218 HG23 ILE 35 HG23 ILE 35 12.684 -14.434 -3.792 219 HD11 ILE 35 HD11 ILE 35 12.819 -16.255 -5.216 220 HD12 ILE 35 HD12 ILE 35 11.200 -16.948 -5.105 221 HD13 ILE 35 HD13 ILE 35 12.147 -17.150 -6.579 222 H VAL 36 H VAL 36 10.825 -10.927 -4.610 223 HA VAL 36 HA VAL 36 13.303 -9.415 -5.130 224 HB VAL 36 HB VAL 36 12.167 -7.360 -4.622 225 HG11 VAL 36 HG11 VAL 36 11.640 -8.927 -6.858 226 HG12 VAL 36 HG12 VAL 36 10.068 -8.279 -6.384 227 HG13 VAL 36 HG13 VAL 36 11.414 -7.185 -6.709 228 HG21 VAL 36 HG21 VAL 36 10.199 -9.143 -3.466 229 HG22 VAL 36 HG22 VAL 36 10.476 -7.427 -3.170 230 HG23 VAL 36 HG23 VAL 36 9.455 -7.936 -4.515 231 H GLU 37 H GLU 37 14.423 -8.598 -3.376 232 HA GLU 37 HA GLU 37 13.490 -9.498 -0.729 233 HB2 GLU 37 HB2 GLU 37 15.399 -10.832 -1.558 234 HB3 GLU 37 HB3 GLU 37 16.347 -9.359 -1.706 235 HG2 GLU 37 HG2 GLU 37 16.294 -9.019 0.667 236 HG3 GLU 37 HG3 GLU 37 15.190 -10.377 0.877 237 H CYS 38 H CYS 38 13.943 -8.167 1.047 238 HA CYS 38 HA CYS 38 13.888 -5.380 0.503 239 HB2 CYS 38 HB2 CYS 38 12.728 -6.174 2.438 240 HB3 CYS 38 HB3 CYS 38 14.179 -6.947 3.067 241 H LYS 39 H LYS 39 15.680 -4.546 -0.427 242 HA LYS 39 HA LYS 39 18.190 -4.770 1.098 243 HB2 LYS 39 HB2 LYS 39 17.725 -5.016 -1.853 244 HB3 LYS 39 HB3 LYS 39 19.261 -4.399 -1.259 245 HG2 LYS 39 HG2 LYS 39 19.940 -6.497 -1.078 246 HG3 LYS 39 HG3 LYS 39 18.784 -6.696 0.241 247 HD2 LYS 39 HD2 LYS 39 18.419 -8.434 -1.383 248 HD3 LYS 39 HD3 LYS 39 17.058 -7.312 -1.434 249 HE2 LYS 39 HE2 LYS 39 17.463 -7.512 -3.669 250 HE3 LYS 39 HE3 LYS 39 18.541 -6.167 -3.301 251 HZ1 LYS 39 HZ1 LYS 39 19.315 -8.356 -4.588 252 HZ2 LYS 39 HZ2 LYS 39 19.678 -8.822 -3.003 253 HZ3 LYS 39 HZ3 LYS 39 20.362 -7.416 -3.649 254 H GLY 40 H GLY 40 19.344 -2.907 1.398 255 HA2 GLY 40 HA2 GLY 40 19.708 -0.648 1.578 256 HA3 GLY 40 HA3 GLY 40 19.157 -0.557 -0.089 257 H GLY 41 H GLY 41 16.962 -1.846 2.233 258 HA2 GLY 41 HA2 GLY 41 15.197 -0.859 3.395 259 HA3 GLY 41 HA3 GLY 41 15.723 0.712 2.809 260 H LYS 42 H LYS 42 15.597 -1.381 0.234 261 HA LYS 42 HA LYS 42 12.773 -0.824 -0.335 262 HB2 LYS 42 HB2 LYS 42 13.233 0.045 -2.500 263 HB3 LYS 42 HB3 LYS 42 14.278 0.913 -1.383 264 HG2 LYS 42 HG2 LYS 42 16.016 0.368 -2.633 265 HG3 LYS 42 HG3 LYS 42 15.730 -1.333 -2.258 266 HD2 LYS 42 HD2 LYS 42 15.785 -1.052 -4.650 267 HD3 LYS 42 HD3 LYS 42 14.134 -1.433 -4.154 268 HE2 LYS 42 HE2 LYS 42 13.945 0.312 -5.728 269 HE3 LYS 42 HE3 LYS 42 13.708 1.064 -4.151 270 HZ1 LYS 42 HZ1 LYS 42 16.075 1.717 -4.213 271 HZ2 LYS 42 HZ2 LYS 42 15.160 2.425 -5.446 272 HZ3 LYS 42 HZ3 LYS 42 16.180 1.120 -5.793 273 H TRP 43 H TRP 43 11.775 -2.265 -1.776 274 HA TRP 43 HA TRP 43 12.871 -4.908 -1.747 275 HB2 TRP 43 HB2 TRP 43 10.359 -3.717 -2.916 276 HB3 TRP 43 HB3 TRP 43 10.783 -5.412 -3.141 277 HD1 TRP 43 HD1 TRP 43 8.999 -3.173 -0.809 278 HE1 TRP 43 HE1 TRP 43 8.410 -4.416 1.366 279 HE3 TRP 43 HE3 TRP 43 11.930 -7.316 -1.422 280 HZ2 TRP 43 HZ2 TRP 43 9.097 -6.832 2.653 281 HZ3 TRP 43 HZ3 TRP 43 11.907 -9.046 0.327 282 HH2 TRP 43 HH2 TRP 43 10.520 -8.807 2.322 283 H THR 44 H THR 44 14.316 -5.653 -3.139 284 HA THR 44 HA THR 44 14.231 -4.677 -5.919 285 HB THR 44 HB THR 44 16.699 -5.368 -4.313 286 HG1 THR 44 HG1 THR 44 16.268 -3.326 -3.763 287 HG21 THR 44 HG21 THR 44 17.836 -4.416 -6.399 288 HG22 THR 44 HG22 THR 44 16.294 -4.680 -7.212 289 HG23 THR 44 HG23 THR 44 17.169 -6.043 -6.516 290 H GLU 45 H GLU 45 14.415 -6.174 -7.527 291 HA GLU 45 HA GLU 45 13.746 -8.847 -6.971 292 HB2 GLU 45 HB2 GLU 45 13.399 -7.482 -9.133 293 HB3 GLU 45 HB3 GLU 45 15.040 -7.965 -9.538 294 HG2 GLU 45 HG2 GLU 45 14.431 -10.283 -9.499 295 HG3 GLU 45 HG3 GLU 45 12.818 -9.891 -8.906 296 H ILE 46 H ILE 46 14.936 -10.594 -6.537 297 HA ILE 46 HA ILE 46 17.860 -10.386 -6.853 298 HB ILE 46 HB ILE 46 18.126 -11.839 -4.922 299 HG12 ILE 46 HG12 ILE 46 15.123 -11.663 -4.602 300 HG13 ILE 46 HG13 ILE 46 15.978 -13.074 -5.217 301 HG21 ILE 46 HG21 ILE 46 18.102 -10.077 -3.558 302 HG22 ILE 46 HG22 ILE 46 17.342 -9.190 -4.879 303 HG23 ILE 46 HG23 ILE 46 16.345 -9.946 -3.636 304 HD11 ILE 46 HD11 ILE 46 17.001 -12.145 -2.658 305 HD12 ILE 46 HD12 ILE 46 15.303 -12.618 -2.608 306 HD13 ILE 46 HD13 ILE 46 16.521 -13.761 -3.174 307 H GLN 47 H GLN 47 15.021 -12.149 -7.573 308 HA GLN 47 HA GLN 47 16.570 -14.049 -9.131 309 HB2 GLN 47 HB2 GLN 47 15.930 -14.887 -6.674 310 HB3 GLN 47 HB3 GLN 47 14.419 -15.275 -7.485 311 HG2 GLN 47 HG2 GLN 47 17.024 -16.155 -8.652 312 HG3 GLN 47 HG3 GLN 47 16.283 -17.057 -7.330 313 HE21 GLN 47 HE21 GLN 47 13.953 -17.630 -7.689 314 HE22 GLN 47 HE22 GLN 47 13.509 -18.156 -9.273 315 H ASP 48 H ASP 48 15.333 -15.128 -10.751 316 HA ASP 48 HA ASP 48 12.746 -13.825 -11.297 317 HB2 ASP 48 HB2 ASP 48 14.695 -13.275 -12.843 318 HB3 ASP 48 HB3 ASP 48 14.605 -14.947 -13.392 319 H CYS 49 H CYS 49 11.057 -15.135 -11.213 320 HA CYS 49 HA CYS 49 11.397 -17.991 -11.100 321 HB2 CYS 49 HB2 CYS 49 9.087 -16.107 -10.802 322 HB3 CYS 49 HB3 CYS 49 8.776 -17.821 -11.059 323 H GLY 50 H GLY 50 10.566 -15.648 -13.502 324 HA2 GLY 50 HA2 GLY 50 10.521 -16.001 -15.809 325 HA3 GLY 50 HA3 GLY 50 10.499 -17.734 -15.520 326 H GLY 51 H GLY 51 8.305 -18.131 -14.001 327 HA2 GLY 51 HA2 GLY 51 6.136 -17.158 -15.754 328 HA3 GLY 51 HA3 GLY 51 6.157 -18.746 -15.002 329 H ALA 52 H ALA 52 4.118 -16.659 -14.856 330 HA ALA 52 HA ALA 52 4.251 -15.486 -12.243 331 HB1 ALA 52 HB1 ALA 52 2.002 -14.710 -12.675 332 HB2 ALA 52 HB2 ALA 52 3.008 -14.448 -14.101 333 HB3 ALA 52 HB3 ALA 52 1.866 -15.791 -14.063 334 H SER 53 H SER 53 4.749 -17.599 -11.183 335 HA SER 53 HA SER 53 2.266 -18.769 -10.188 336 HB2 SER 53 HB2 SER 53 4.161 -20.153 -11.906 337 HB3 SER 53 HB3 SER 53 3.968 -20.972 -10.356 338 HG SER 53 HG SER 53 2.292 -20.918 -12.440 339 H CYS 54 H CYS 54 4.853 -17.138 -9.430 340 HA CYS 54 HA CYS 54 6.014 -18.672 -7.310 341 HB2 CYS 54 HB2 CYS 54 7.038 -16.693 -8.650 342 HB3 CYS 54 HB3 CYS 54 6.175 -15.678 -7.500 343 H ARG 55 H ARG 55 5.217 -18.992 -5.348 344 HA ARG 55 HA ARG 55 3.482 -16.957 -4.149 345 HB2 ARG 55 HB2 ARG 55 2.510 -19.367 -5.195 346 HB3 ARG 55 HB3 ARG 55 2.573 -19.614 -3.455 347 HG2 ARG 55 HG2 ARG 55 1.129 -17.409 -4.909 348 HG3 ARG 55 HG3 ARG 55 0.404 -18.788 -4.079 349 HD2 ARG 55 HD2 ARG 55 1.908 -17.746 -2.091 350 HD3 ARG 55 HD3 ARG 55 1.512 -16.284 -2.993 351 HE ARG 55 HE ARG 55 -0.279 -17.891 -1.422 352 HH11 ARG 55 HH11 ARG 55 -0.026 -15.624 -4.051 353 HH12 ARG 55 HH12 ARG 55 -1.659 -15.064 -3.897 354 HH21 ARG 55 HH21 ARG 55 -2.430 -17.162 -1.209 355 HH22 ARG 55 HH22 ARG 55 -3.024 -15.938 -2.279 356 H GLY 56 H GLY 56 3.712 -16.715 -1.966 357 HA2 GLY 56 HA2 GLY 56 5.453 -18.644 -0.572 358 HA3 GLY 56 HA3 GLY 56 5.789 -16.921 -0.488 359 H VAL 57 H VAL 57 5.613 -17.363 1.855 360 HA VAL 57 HA VAL 57 2.803 -17.405 2.744 361 HB VAL 57 HB VAL 57 3.618 -18.170 4.928 362 HG11 VAL 57 HG11 VAL 57 3.685 -20.361 4.328 363 HG12 VAL 57 HG12 VAL 57 3.198 -19.679 2.775 364 HG13 VAL 57 HG13 VAL 57 4.888 -20.094 3.066 365 HG21 VAL 57 HG21 VAL 57 6.329 -18.441 3.643 366 HG22 VAL 57 HG22 VAL 57 5.877 -17.106 4.703 367 HG23 VAL 57 HG23 VAL 57 5.896 -18.756 5.324 368 H SER 58 H SER 58 2.413 -16.174 4.798 369 HA SER 58 HA SER 58 3.076 -13.471 4.451 370 HB2 SER 58 HB2 SER 58 1.054 -14.323 5.654 371 HB3 SER 58 HB3 SER 58 2.098 -14.779 7.000 372 HG SER 58 HG SER 58 2.172 -12.767 7.604 373 H GLN 59 H GLN 59 4.810 -16.015 5.906 374 HA GLN 59 HA GLN 59 6.455 -14.201 7.507 375 HB2 GLN 59 HB2 GLN 59 6.817 -17.181 7.299 376 HB3 GLN 59 HB3 GLN 59 7.322 -16.105 8.596 377 HG2 GLN 59 HG2 GLN 59 4.599 -17.164 7.977 378 HG3 GLN 59 HG3 GLN 59 5.501 -17.216 9.491 379 HE21 GLN 59 HE21 GLN 59 2.782 -16.216 8.771 380 HE22 GLN 59 HE22 GLN 59 2.733 -14.598 9.376 381 H GLY 60 H GLY 60 6.362 -14.799 4.410 382 HA2 GLY 60 HA2 GLY 60 8.095 -14.142 2.925 383 HA3 GLY 60 HA3 GLY 60 9.276 -14.638 4.127 384 H GLY 61 H GLY 61 10.477 -16.192 3.238 385 HA2 GLY 61 HA2 GLY 61 11.059 -18.110 2.113 386 HA3 GLY 61 HA3 GLY 61 9.590 -18.771 2.816 387 H ALA 62 H ALA 62 10.463 -16.504 0.201 388 HA ALA 62 HA ALA 62 8.185 -17.228 -1.368 389 HB1 ALA 62 HB1 ALA 62 8.663 -15.283 -2.316 390 HB2 ALA 62 HB2 ALA 62 10.177 -15.199 -1.414 391 HB3 ALA 62 HB3 ALA 62 10.135 -15.977 -2.996 392 H ARG 63 H ARG 63 7.989 -18.720 -2.933 393 HA ARG 63 HA ARG 63 10.408 -20.047 -3.935 394 HB2 ARG 63 HB2 ARG 63 9.139 -22.232 -3.806 395 HB3 ARG 63 HB3 ARG 63 9.662 -21.560 -2.267 396 HG2 ARG 63 HG2 ARG 63 6.943 -20.854 -3.207 397 HG3 ARG 63 HG3 ARG 63 7.217 -22.508 -2.653 398 HD2 ARG 63 HD2 ARG 63 8.371 -21.308 -0.629 399 HD3 ARG 63 HD3 ARG 63 7.381 -19.942 -1.140 400 HE ARG 63 HE ARG 63 5.607 -21.981 -1.012 401 HH11 ARG 63 HH11 ARG 63 7.951 -20.699 1.220 402 HH12 ARG 63 HH12 ARG 63 7.039 -21.131 2.629 403 HH21 ARG 63 HH21 ARG 63 4.397 -22.555 0.835 404 HH22 ARG 63 HH22 ARG 63 5.018 -22.188 2.409 405 H CYS 64 H CYS 64 10.302 -20.777 -6.041 406 HA CYS 64 HA CYS 64 8.235 -19.574 -7.663 407 HB2 CYS 64 HB2 CYS 64 10.680 -21.196 -8.397 408 HB3 CYS 64 HB3 CYS 64 9.595 -20.449 -9.565
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