NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25830 | 2kch | 16074 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H1 CYS 1 3.075 0.736 4.478 2 HA CYS 1 HA CYS 1 2.540 3.505 4.498 3 HB2 CYS 1 HB3 CYS 1 1.076 1.511 2.776 4 HB3 CYS 1 HB2 CYS 1 1.505 3.176 2.394 5 H GLY 2 H GLY 2 0.574 0.673 5.207 6 HA2 GLY 2 HA3 GLY 2 -1.280 0.469 6.559 7 HA3 GLY 2 HA2 GLY 2 -1.159 2.182 6.912 8 H GLU 3 H GLU 3 -1.309 3.040 4.174 9 HA GLU 3 HA GLU 3 -4.051 3.399 3.920 10 HB2 GLU 3 HB3 GLU 3 -3.584 4.334 1.720 11 HB3 GLU 3 HB2 GLU 3 -2.406 4.891 2.900 12 HG2 GLU 3 HG3 GLU 3 -0.707 3.587 2.006 13 HG3 GLU 3 HG2 GLU 3 -1.836 2.529 1.159 14 H THR 4 H THR 4 -5.612 2.560 2.652 15 HA THR 4 HA THR 4 -5.194 -0.171 1.719 16 HB THR 4 HB THR 4 -7.693 1.469 2.224 17 HG1 THR 4 HG1 THR 4 -6.286 -0.517 3.630 18 HG21 THR 4 HG21 THR 4 -7.655 -0.438 0.351 19 HG22 THR 4 HG22 THR 4 -9.044 -0.170 1.406 20 HG23 THR 4 HG23 THR 4 -7.892 -1.455 1.773 21 H CYS 5 H CYS 5 -4.891 -0.550 -0.399 22 HA CYS 5 HA CYS 5 -5.476 1.549 -2.320 23 HB2 CYS 5 HB3 CYS 5 -4.352 0.014 -3.954 24 HB3 CYS 5 HB2 CYS 5 -3.336 0.509 -2.606 25 H PHE 6 H PHE 6 -7.791 1.057 -1.537 26 HA PHE 6 HA PHE 6 -9.241 -1.168 -2.299 27 HB2 PHE 6 HB3 PHE 6 -10.123 0.682 -0.910 28 HB3 PHE 6 HB2 PHE 6 -10.180 1.711 -2.336 29 HD1 PHE 6 HD1 PHE 6 -11.255 -1.800 -1.644 30 HD2 PHE 6 HD2 PHE 6 -12.346 2.092 -2.975 31 HE1 PHE 6 HE1 PHE 6 -13.527 -2.608 -2.130 32 HE2 PHE 6 HE2 PHE 6 -14.621 1.292 -3.463 33 HZ PHE 6 HZ PHE 6 -15.214 -1.061 -3.040 34 H GLY 7 H GLY 7 -8.473 1.726 -4.194 35 HA2 GLY 7 HA3 GLY 7 -9.717 0.538 -6.558 36 HA3 GLY 7 HA2 GLY 7 -9.105 2.181 -6.423 37 H GLY 8 H GLY 8 -7.159 -0.479 -5.323 38 HA2 GLY 8 HA3 GLY 8 -5.313 -1.524 -6.215 39 HA3 GLY 8 HA2 GLY 8 -5.765 -0.900 -7.788 40 H THR 9 H THR 9 -5.739 1.901 -6.825 41 HA THR 9 HA THR 9 -2.880 2.318 -7.121 42 HB THR 9 HB THR 9 -4.874 4.536 -6.856 43 HG1 THR 9 HG1 THR 9 -5.042 2.544 -8.639 44 HG21 THR 9 HG21 THR 9 -2.293 4.753 -7.148 45 HG22 THR 9 HG22 THR 9 -3.364 5.781 -8.099 46 HG23 THR 9 HG23 THR 9 -2.632 4.353 -8.831 47 H CYS 10 H CYS 10 -1.624 3.552 -5.718 48 HA CYS 10 HA CYS 10 -2.667 3.807 -2.980 49 HB2 CYS 10 HB3 CYS 10 0.200 3.396 -3.876 50 HB3 CYS 10 HB2 CYS 10 -0.334 3.567 -2.208 51 H ASN 11 H ASN 11 -2.046 5.650 -1.776 52 HA ASN 11 HA ASN 11 -1.731 8.023 -3.432 53 HB2 ASN 11 HB3 ASN 11 -3.429 7.738 -1.526 54 HB3 ASN 11 HB2 ASN 11 -2.067 7.941 -0.433 55 HD21 ASN 11 HD22 ASN 11 -1.408 9.781 -3.096 56 HD22 ASN 11 HD21 ASN 11 -2.048 11.288 -2.553 57 H THR 12 H THR 12 0.164 6.029 -1.357 58 HA THR 12 HA THR 12 2.211 8.111 -1.060 59 HB THR 12 HB THR 12 2.303 5.340 0.121 60 HG1 THR 12 HG1 THR 12 0.382 6.180 0.859 61 HG21 THR 12 HG21 THR 12 4.363 6.659 0.204 62 HG22 THR 12 HG22 THR 12 3.691 6.426 1.817 63 HG23 THR 12 HG23 THR 12 3.494 7.974 0.996 64 HA PRO 13 HA PRO 13 4.395 6.338 -4.535 65 HB2 PRO 13 HB2 PRO 13 6.706 7.763 -4.140 66 HB3 PRO 13 HB3 PRO 13 5.280 8.406 -4.960 67 HG2 PRO 13 HG3 PRO 13 6.176 8.793 -2.134 68 HG3 PRO 13 HG2 PRO 13 5.480 9.970 -3.262 69 HD2 PRO 13 HD3 PRO 13 4.021 8.821 -1.309 70 HD3 PRO 13 HD2 PRO 13 3.320 9.244 -2.884 71 H GLY 14 H GLY 14 5.645 4.560 -4.687 72 HA2 GLY 14 HA3 GLY 14 7.517 3.221 -4.123 73 HA3 GLY 14 HA2 GLY 14 7.534 3.964 -2.529 74 H CYS 15 H CYS 15 4.503 3.599 -2.501 75 HA CYS 15 HA CYS 15 4.601 0.947 -1.332 76 HB2 CYS 15 HB3 CYS 15 2.367 2.987 -1.431 77 HB3 CYS 15 HB2 CYS 15 2.295 1.452 -0.574 78 H SER 16 H SER 16 3.940 -0.815 -2.286 79 HA SER 16 HA SER 16 2.611 -0.640 -4.884 80 HB2 SER 16 HB3 SER 16 3.836 -3.059 -3.530 81 HB3 SER 16 HB2 SER 16 3.368 -2.913 -5.224 82 HG SER 16 HG SER 16 5.171 -1.034 -4.240 83 H CYS 17 H CYS 17 0.595 -1.572 -5.232 84 HA CYS 17 HA CYS 17 -1.051 -1.813 -2.943 85 HB2 CYS 17 HB3 CYS 17 -1.956 -0.995 -5.050 86 HB3 CYS 17 HB2 CYS 17 -1.646 -2.553 -5.807 87 H THR 18 H THR 18 -1.421 -3.423 -1.712 88 HA THR 18 HA THR 18 -1.164 -6.175 -2.701 89 HB THR 18 HB THR 18 -0.370 -5.347 0.104 90 HG1 THR 18 HG1 THR 18 1.019 -5.064 -2.240 91 HG21 THR 18 HG21 THR 18 0.343 -7.806 -1.502 92 HG22 THR 18 HG22 THR 18 -0.992 -7.728 -0.350 93 HG23 THR 18 HG23 THR 18 0.667 -7.518 0.208 94 H TRP 19 H TRP 19 -3.404 -5.229 -3.000 95 HA TRP 19 HA TRP 19 -5.308 -4.429 -1.459 96 HB2 TRP 19 HB3 TRP 19 -5.328 -5.796 -3.786 97 HB3 TRP 19 HB2 TRP 19 -6.136 -6.959 -2.739 98 HD1 TRP 19 HD1 TRP 19 -6.702 -3.716 -4.570 99 HE1 TRP 19 HE1 TRP 19 -9.131 -2.934 -4.210 100 HE3 TRP 19 HE3 TRP 19 -8.056 -6.974 -0.876 101 HZ2 TRP 19 HZ2 TRP 19 -11.326 -3.611 -2.560 102 HZ3 TRP 19 HZ3 TRP 19 -10.321 -6.833 0.054 103 HH2 TRP 19 HH2 TRP 19 -11.930 -5.189 -0.775 104 HA PRO 20 HA PRO 20 -6.612 -3.981 -0.433 105 HB2 PRO 20 HB2 PRO 20 -7.906 -3.508 1.837 106 HB3 PRO 20 HB3 PRO 20 -8.509 -4.702 0.684 107 HG2 PRO 20 HG3 PRO 20 -7.176 -5.111 3.301 108 HG3 PRO 20 HG2 PRO 20 -8.350 -6.138 2.463 109 HD2 PRO 20 HD3 PRO 20 -5.492 -6.396 2.507 110 HD3 PRO 20 HD2 PRO 20 -6.665 -7.405 1.638 111 H ILE 21 H ILE 21 -3.799 -4.320 0.605 112 HA ILE 21 HA ILE 21 -3.687 -1.758 2.008 113 HB ILE 21 HB ILE 21 -2.043 -2.601 3.640 114 HG12 ILE 21 HG13 ILE 21 -2.805 -5.347 2.614 115 HG13 ILE 21 HG12 ILE 21 -1.261 -4.553 2.322 116 HG21 ILE 21 HG21 ILE 21 -4.786 -3.828 3.607 117 HG22 ILE 21 HG22 ILE 21 -4.214 -2.417 4.501 118 HG23 ILE 21 HG23 ILE 21 -3.686 -4.031 4.975 119 HD11 ILE 21 HD11 ILE 21 -0.567 -4.819 4.507 120 HD12 ILE 21 HD12 ILE 21 -1.452 -6.313 4.197 121 HD13 ILE 21 HD13 ILE 21 -2.210 -5.012 5.115 122 H CYS 22 H CYS 22 -1.995 -0.507 1.462 123 HA CYS 22 HA CYS 22 -0.291 -1.426 -0.701 124 HB2 CYS 22 HB3 CYS 22 -0.381 1.243 0.705 125 HB3 CYS 22 HB2 CYS 22 0.587 0.880 -0.713 126 H THR 23 H THR 23 1.808 -1.894 -0.600 127 HA THR 23 HA THR 23 3.179 -1.668 1.998 128 HB THR 23 HB THR 23 4.319 -3.815 1.480 129 HG1 THR 23 HG1 THR 23 2.410 -4.579 -0.384 130 HG21 THR 23 HG21 THR 23 2.212 -5.281 1.723 131 HG22 THR 23 HG22 THR 23 1.327 -3.756 1.742 132 HG23 THR 23 HG23 THR 23 2.540 -4.086 2.980 133 H ARG 24 H ARG 24 5.054 -0.519 1.845 134 HA ARG 24 HA ARG 24 6.153 -0.089 -0.817 135 HB2 ARG 24 HB3 ARG 24 7.456 1.684 0.143 136 HB3 ARG 24 HB2 ARG 24 5.796 1.881 0.658 137 HG2 ARG 24 HG3 ARG 24 6.294 1.552 2.833 138 HG3 ARG 24 HG2 ARG 24 7.567 0.380 2.478 139 HD2 ARG 24 HD3 ARG 24 7.757 3.373 2.137 140 HD3 ARG 24 HD2 ARG 24 8.502 2.426 3.425 141 HE ARG 24 HE ARG 24 9.337 1.393 0.941 142 HH11 ARG 24 HH11 ARG 24 9.778 4.266 2.905 143 HH12 ARG 24 HH12 ARG 24 11.357 4.597 2.277 144 HH21 ARG 24 HH22 ARG 24 11.376 1.803 0.120 145 HH22 ARG 24 HH21 ARG 24 12.279 3.184 0.676 146 H ASP 25 H ASP 25 7.866 -1.166 -1.502 147 HA ASP 25 HA ASP 25 9.614 -2.623 -1.574 148 HB2 ASP 25 HB3 ASP 25 10.209 -1.657 1.238 149 HB3 ASP 25 HB2 ASP 25 11.335 -2.450 0.146 150 H GLY 26 H GLY 26 6.984 -3.407 -0.474 151 HA2 GLY 26 HA3 GLY 26 6.150 -5.503 0.088 152 HA3 GLY 26 HA2 GLY 26 7.771 -6.002 0.542 153 H LEU 27 H LEU 27 7.190 -3.076 2.004 154 HA LEU 27 HA LEU 27 6.486 -4.433 4.513 155 HB2 LEU 27 HB3 LEU 27 7.724 -1.716 4.059 156 HB3 LEU 27 HB2 LEU 27 7.405 -2.439 5.624 157 HG LEU 27 HG LEU 27 9.334 -3.524 3.569 158 HD11 LEU 27 HD11 LEU 27 10.621 -1.854 4.331 159 HD12 LEU 27 HD12 LEU 27 10.797 -2.871 5.761 160 HD13 LEU 27 HD13 LEU 27 9.600 -1.575 5.742 161 HD21 LEU 27 HD21 LEU 27 9.021 -4.365 6.440 162 HD22 LEU 27 HD22 LEU 27 9.954 -5.148 5.165 163 HD23 LEU 27 HD23 LEU 27 8.192 -5.177 5.111 164 HA PRO 28 HA PRO 28 2.525 -2.393 4.139 165 HB2 PRO 28 HB2 PRO 28 1.784 -3.687 6.617 166 HB3 PRO 28 HB3 PRO 28 1.236 -4.053 4.981 167 HG2 PRO 28 HG3 PRO 28 2.821 -5.721 6.462 168 HG3 PRO 28 HG2 PRO 28 2.795 -5.697 4.690 169 HD2 PRO 28 HD3 PRO 28 4.761 -4.454 6.576 170 HD3 PRO 28 HD2 PRO 28 5.049 -5.287 5.032 171 H VAL 29 H VAL 29 4.551 -0.826 5.138 172 HA VAL 29 HA VAL 29 3.728 0.155 7.735 173 HB VAL 29 HB VAL 29 6.143 -0.037 7.143 174 HG11 VAL 29 HG11 VAL 29 5.650 2.338 5.360 175 HG12 VAL 29 HG12 VAL 29 5.896 0.689 4.785 176 HG13 VAL 29 HG13 VAL 29 7.185 1.521 5.655 177 HG21 VAL 29 HG21 VAL 29 6.035 1.341 8.926 178 HG22 VAL 29 HG22 VAL 29 4.856 2.411 8.168 179 HG23 VAL 29 HG23 VAL 29 6.563 2.545 7.750 Start of MODEL 2 1 H1 CYS 1 H CYS 1 2.814 1.080 4.256 2 HA CYS 1 HA CYS 1 2.135 3.808 4.280 3 HB2 CYS 1 HB3 CYS 1 0.675 1.848 2.547 4 HB3 CYS 1 HB2 CYS 1 1.282 3.453 2.147 5 H GLY 2 H GLY 2 0.282 0.892 4.976 6 HA2 GLY 2 HA3 GLY 2 -1.577 0.624 6.316 7 HA3 GLY 2 HA2 GLY 2 -1.553 2.351 6.630 8 H GLU 3 H GLU 3 -1.675 3.159 3.894 9 HA GLU 3 HA GLU 3 -4.424 3.351 3.539 10 HB2 GLU 3 HB3 GLU 3 -3.889 4.232 1.289 11 HB3 GLU 3 HB2 GLU 3 -2.922 4.964 2.562 12 HG2 GLU 3 HG3 GLU 3 -1.009 3.693 1.951 13 HG3 GLU 3 HG2 GLU 3 -1.954 2.697 0.844 14 H THR 4 H THR 4 -5.917 2.283 2.410 15 HA THR 4 HA THR 4 -5.219 -0.356 1.413 16 HB THR 4 HB THR 4 -7.782 -0.519 1.216 17 HG1 THR 4 HG1 THR 4 -8.559 1.146 2.973 18 HG21 THR 4 HG21 THR 4 -6.852 -1.713 2.986 19 HG22 THR 4 HG22 THR 4 -7.980 -0.628 3.800 20 HG23 THR 4 HG23 THR 4 -6.255 -0.256 3.783 21 H CYS 5 H CYS 5 -4.776 -0.594 -0.699 22 HA CYS 5 HA CYS 5 -5.581 1.480 -2.552 23 HB2 CYS 5 HB3 CYS 5 -4.109 0.347 -4.159 24 HB3 CYS 5 HB2 CYS 5 -3.281 0.704 -2.649 25 H PHE 6 H PHE 6 -7.871 0.524 -1.924 26 HA PHE 6 HA PHE 6 -8.813 -1.813 -3.136 27 HB2 PHE 6 HB3 PHE 6 -10.121 0.736 -2.267 28 HB3 PHE 6 HB2 PHE 6 -11.049 -0.429 -3.203 29 HD1 PHE 6 HD1 PHE 6 -8.564 -0.792 -0.432 30 HD2 PHE 6 HD2 PHE 6 -12.508 -1.538 -1.843 31 HE1 PHE 6 HE1 PHE 6 -9.055 -2.060 1.617 32 HE2 PHE 6 HE2 PHE 6 -13.005 -2.807 0.204 33 HZ PHE 6 HZ PHE 6 -11.278 -3.068 1.938 34 H GLY 7 H GLY 7 -8.414 1.440 -4.439 35 HA2 GLY 7 HA3 GLY 7 -9.581 0.648 -6.988 36 HA3 GLY 7 HA2 GLY 7 -9.015 2.253 -6.558 37 H GLY 8 H GLY 8 -6.869 -0.333 -5.855 38 HA2 GLY 8 HA3 GLY 8 -4.864 -0.979 -6.760 39 HA3 GLY 8 HA2 GLY 8 -5.574 -0.640 -8.330 40 H THR 9 H THR 9 -4.985 1.649 -5.701 41 HA THR 9 HA THR 9 -2.729 2.815 -7.117 42 HB THR 9 HB THR 9 -5.010 4.630 -6.359 43 HG1 THR 9 HG1 THR 9 -4.872 2.920 -8.502 44 HG21 THR 9 HG21 THR 9 -2.886 5.023 -8.453 45 HG22 THR 9 HG22 THR 9 -2.644 5.468 -6.764 46 HG23 THR 9 HG23 THR 9 -3.922 6.239 -7.704 47 H CYS 10 H CYS 10 -1.504 4.243 -5.780 48 HA CYS 10 HA CYS 10 -2.254 4.250 -2.942 49 HB2 CYS 10 HB3 CYS 10 0.540 3.745 -3.989 50 HB3 CYS 10 HB2 CYS 10 0.045 3.774 -2.299 51 H ASN 11 H ASN 11 -1.707 6.049 -1.795 52 HA ASN 11 HA ASN 11 -1.120 8.422 -3.377 53 HB2 ASN 11 HB3 ASN 11 -3.001 8.425 -1.781 54 HB3 ASN 11 HB2 ASN 11 -1.878 8.119 -0.461 55 HD21 ASN 11 HD22 ASN 11 -1.244 9.823 0.631 56 HD22 ASN 11 HD21 ASN 11 -1.239 11.454 0.064 57 H THR 12 H THR 12 0.517 6.265 -1.291 58 HA THR 12 HA THR 12 2.595 8.236 -0.671 59 HB THR 12 HB THR 12 2.442 5.390 0.318 60 HG1 THR 12 HG1 THR 12 0.543 6.315 0.994 61 HG21 THR 12 HG21 THR 12 4.130 5.919 1.719 62 HG22 THR 12 HG22 THR 12 3.532 7.556 1.989 63 HG23 THR 12 HG23 THR 12 4.461 7.185 0.537 64 HA PRO 13 HA PRO 13 5.067 6.640 -4.032 65 HB2 PRO 13 HB2 PRO 13 7.378 7.915 -3.299 66 HB3 PRO 13 HB3 PRO 13 6.065 8.695 -4.185 67 HG2 PRO 13 HG3 PRO 13 6.699 8.788 -1.264 68 HG3 PRO 13 HG2 PRO 13 6.169 10.095 -2.340 69 HD2 PRO 13 HD3 PRO 13 4.476 8.855 -0.645 70 HD3 PRO 13 HD2 PRO 13 3.953 9.454 -2.233 71 H GLY 14 H GLY 14 6.327 4.860 -4.235 72 HA2 GLY 14 HA3 GLY 14 8.024 3.347 -3.621 73 HA3 GLY 14 HA2 GLY 14 7.974 3.990 -1.984 74 H CYS 15 H CYS 15 4.906 3.788 -2.371 75 HA CYS 15 HA CYS 15 4.712 1.133 -1.223 76 HB2 CYS 15 HB3 CYS 15 2.692 3.357 -1.577 77 HB3 CYS 15 HB2 CYS 15 2.322 1.806 -0.834 78 H SER 16 H SER 16 3.877 -0.594 -2.195 79 HA SER 16 HA SER 16 2.894 -0.298 -4.949 80 HB2 SER 16 HB3 SER 16 4.093 -2.761 -3.655 81 HB3 SER 16 HB2 SER 16 3.731 -2.527 -5.366 82 HG SER 16 HG SER 16 5.423 -0.678 -4.152 83 H CYS 17 H CYS 17 0.903 -1.121 -5.444 84 HA CYS 17 HA CYS 17 -0.879 -1.596 -3.314 85 HB2 CYS 17 HB3 CYS 17 -1.591 -0.606 -5.453 86 HB3 CYS 17 HB2 CYS 17 -1.304 -2.150 -6.251 87 H THR 18 H THR 18 -1.400 -3.325 -2.281 88 HA THR 18 HA THR 18 -0.977 -5.981 -3.459 89 HB THR 18 HB THR 18 -0.468 -5.411 -0.532 90 HG1 THR 18 HG1 THR 18 1.105 -4.763 -2.663 91 HG21 THR 18 HG21 THR 18 -0.849 -7.727 -1.012 92 HG22 THR 18 HG22 THR 18 0.885 -7.518 -0.765 93 HG23 THR 18 HG23 THR 18 0.240 -7.676 -2.398 94 H TRP 19 H TRP 19 -3.241 -5.205 -3.886 95 HA TRP 19 HA TRP 19 -5.299 -4.564 -2.461 96 HB2 TRP 19 HB3 TRP 19 -5.081 -5.860 -4.821 97 HB3 TRP 19 HB2 TRP 19 -5.895 -7.092 -3.862 98 HD1 TRP 19 HD1 TRP 19 -6.485 -3.794 -5.596 99 HE1 TRP 19 HE1 TRP 19 -8.968 -3.141 -5.392 100 HE3 TRP 19 HE3 TRP 19 -7.964 -7.310 -2.197 101 HZ2 TRP 19 HZ2 TRP 19 -11.250 -4.007 -3.966 102 HZ3 TRP 19 HZ3 TRP 19 -10.301 -7.321 -1.450 103 HH2 TRP 19 HH2 TRP 19 -11.917 -5.706 -2.322 104 HA PRO 20 HA PRO 20 -6.737 -4.251 -1.550 105 HB2 PRO 20 HB2 PRO 20 -8.239 -3.929 0.609 106 HB3 PRO 20 HB3 PRO 20 -8.649 -5.152 -0.598 107 HG2 PRO 20 HG3 PRO 20 -7.465 -5.486 2.104 108 HG3 PRO 20 HG2 PRO 20 -8.519 -6.580 1.196 109 HD2 PRO 20 HD3 PRO 20 -5.671 -6.679 1.413 110 HD3 PRO 20 HD2 PRO 20 -6.718 -7.718 0.428 111 H ILE 21 H ILE 21 -4.019 -4.547 -0.105 112 HA ILE 21 HA ILE 21 -4.162 -1.947 1.235 113 HB ILE 21 HB ILE 21 -2.690 -2.705 3.042 114 HG12 ILE 21 HG13 ILE 21 -3.116 -5.488 1.927 115 HG13 ILE 21 HG12 ILE 21 -1.618 -4.574 1.796 116 HG21 ILE 21 HG21 ILE 21 -4.948 -2.706 3.656 117 HG22 ILE 21 HG22 ILE 21 -4.368 -4.296 4.151 118 HG23 ILE 21 HG23 ILE 21 -5.312 -4.122 2.668 119 HD11 ILE 21 HD11 ILE 21 -1.524 -4.530 4.288 120 HD12 ILE 21 HD12 ILE 21 -1.380 -6.135 3.570 121 HD13 ILE 21 HD13 ILE 21 -2.904 -5.629 4.299 122 H CYS 22 H CYS 22 -2.366 -0.673 1.005 123 HA CYS 22 HA CYS 22 -0.484 -1.526 -1.046 124 HB2 CYS 22 HB3 CYS 22 -1.641 0.764 -0.947 125 HB3 CYS 22 HB2 CYS 22 -0.458 1.160 0.289 126 H THR 23 H THR 23 1.678 -1.668 -0.790 127 HA THR 23 HA THR 23 2.764 -1.480 1.939 128 HB THR 23 HB THR 23 4.012 -3.602 1.541 129 HG1 THR 23 HG1 THR 23 2.201 -4.359 -0.455 130 HG21 THR 23 HG21 THR 23 2.232 -4.000 2.949 131 HG22 THR 23 HG22 THR 23 1.843 -5.088 1.616 132 HG23 THR 23 HG23 THR 23 1.036 -3.525 1.744 133 H ARG 24 H ARG 24 4.670 -0.408 1.991 134 HA ARG 24 HA ARG 24 6.017 0.104 -0.537 135 HB2 ARG 24 HB3 ARG 24 7.326 1.748 0.696 136 HB3 ARG 24 HB2 ARG 24 5.613 2.036 0.913 137 HG2 ARG 24 HG3 ARG 24 5.666 1.469 3.135 138 HG3 ARG 24 HG2 ARG 24 7.088 0.435 2.948 139 HD2 ARG 24 HD3 ARG 24 7.063 3.447 2.760 140 HD3 ARG 24 HD2 ARG 24 7.622 2.510 4.147 141 HE ARG 24 HE ARG 24 9.077 1.545 2.032 142 HH11 ARG 24 HH11 ARG 24 8.611 4.724 3.439 143 HH12 ARG 24 HH12 ARG 24 10.188 5.280 2.997 144 HH21 ARG 24 HH22 ARG 24 11.107 2.238 1.453 145 HH22 ARG 24 HH21 ARG 24 11.631 3.853 1.850 146 H ASP 25 H ASP 25 7.789 -0.955 -1.109 147 HA ASP 25 HA ASP 25 9.513 -2.444 -1.089 148 HB2 ASP 25 HB3 ASP 25 9.835 -1.667 1.823 149 HB3 ASP 25 HB2 ASP 25 11.060 -2.380 0.781 150 H GLY 26 H GLY 26 6.773 -3.244 -0.298 151 HA2 GLY 26 HA3 GLY 26 5.823 -5.317 0.100 152 HA3 GLY 26 HA2 GLY 26 7.403 -5.920 0.576 153 H LEU 27 H LEU 27 6.659 -3.045 2.167 154 HA LEU 27 HA LEU 27 5.804 -4.556 4.548 155 HB2 LEU 27 HB3 LEU 27 7.344 -1.962 4.388 156 HB3 LEU 27 HB2 LEU 27 6.842 -2.753 5.870 157 HG LEU 27 HG LEU 27 8.780 -3.904 3.860 158 HD11 LEU 27 HD11 LEU 27 9.347 -2.833 6.615 159 HD12 LEU 27 HD12 LEU 27 9.589 -1.908 5.132 160 HD13 LEU 27 HD13 LEU 27 10.510 -3.387 5.409 161 HD21 LEU 27 HD21 LEU 27 8.284 -4.894 6.647 162 HD22 LEU 27 HD22 LEU 27 9.073 -5.716 5.301 163 HD23 LEU 27 HD23 LEU 27 7.326 -5.473 5.284 164 HA PRO 28 HA PRO 28 2.054 -2.181 4.226 165 HB2 PRO 28 HB2 PRO 28 1.344 -3.262 6.835 166 HB3 PRO 28 HB3 PRO 28 0.636 -3.616 5.258 167 HG2 PRO 28 HG3 PRO 28 2.110 -5.419 6.651 168 HG3 PRO 28 HG2 PRO 28 2.039 -5.391 4.880 169 HD2 PRO 28 HD3 PRO 28 4.160 -4.326 6.710 170 HD3 PRO 28 HD2 PRO 28 4.334 -5.216 5.180 171 H VAL 29 H VAL 29 4.098 -0.584 4.954 172 HA VAL 29 HA VAL 29 3.565 0.576 7.552 173 HB VAL 29 HB VAL 29 5.489 1.531 5.427 174 HG11 VAL 29 HG11 VAL 29 6.578 2.754 7.195 175 HG12 VAL 29 HG12 VAL 29 5.458 2.098 8.388 176 HG13 VAL 29 HG13 VAL 29 4.874 3.204 7.145 177 HG21 VAL 29 HG21 VAL 29 6.006 -0.760 6.101 178 HG22 VAL 29 HG22 VAL 29 6.020 -0.263 7.793 179 HG23 VAL 29 HG23 VAL 29 7.232 0.369 6.678 Start of MODEL 3 1 H1 CYS 1 H CYS 1 3.341 0.705 4.216 2 HA CYS 1 HA CYS 1 2.724 3.439 4.498 3 HB2 CYS 1 HB3 CYS 1 1.100 1.628 2.746 4 HB3 CYS 1 HB2 CYS 1 1.686 3.258 2.422 5 H GLY 2 H GLY 2 0.901 0.491 5.116 6 HA2 GLY 2 HA3 GLY 2 -0.842 0.117 6.579 7 HA3 GLY 2 HA2 GLY 2 -0.758 1.806 7.047 8 H GLU 3 H GLU 3 -1.112 2.866 4.420 9 HA GLU 3 HA GLU 3 -3.875 3.131 4.339 10 HB2 GLU 3 HB3 GLU 3 -3.538 4.210 2.153 11 HB3 GLU 3 HB2 GLU 3 -2.399 4.784 3.363 12 HG2 GLU 3 HG3 GLU 3 -0.617 3.598 2.406 13 HG3 GLU 3 HG2 GLU 3 -1.696 2.608 1.425 14 H THR 4 H THR 4 -5.489 2.218 3.233 15 HA THR 4 HA THR 4 -4.983 -0.358 1.989 16 HB THR 4 HB THR 4 -7.510 -0.469 1.944 17 HG1 THR 4 HG1 THR 4 -7.619 1.955 2.096 18 HG21 THR 4 HG21 THR 4 -5.786 -0.382 4.325 19 HG22 THR 4 HG22 THR 4 -6.903 -1.633 3.780 20 HG23 THR 4 HG23 THR 4 -7.511 -0.230 4.657 21 H CYS 5 H CYS 5 -4.723 -0.487 -0.177 22 HA CYS 5 HA CYS 5 -5.497 1.776 -1.818 23 HB2 CYS 5 HB3 CYS 5 -4.295 0.595 -3.635 24 HB3 CYS 5 HB2 CYS 5 -3.294 0.855 -2.212 25 H PHE 6 H PHE 6 -7.758 1.053 -1.055 26 HA PHE 6 HA PHE 6 -9.109 -1.129 -2.109 27 HB2 PHE 6 HB3 PHE 6 -10.027 0.416 -0.406 28 HB3 PHE 6 HB2 PHE 6 -10.190 1.662 -1.636 29 HD1 PHE 6 HD1 PHE 6 -11.106 -1.955 -1.401 30 HD2 PHE 6 HD2 PHE 6 -12.363 2.025 -2.232 31 HE1 PHE 6 HE1 PHE 6 -13.362 -2.782 -1.934 32 HE2 PHE 6 HE2 PHE 6 -14.620 1.205 -2.766 33 HZ PHE 6 HZ PHE 6 -15.122 -1.201 -2.617 34 H GLY 7 H GLY 7 -8.485 2.044 -3.542 35 HA2 GLY 7 HA3 GLY 7 -9.825 1.233 -6.009 36 HA3 GLY 7 HA2 GLY 7 -9.235 2.844 -5.633 37 H GLY 8 H GLY 8 -7.150 0.136 -5.052 38 HA2 GLY 8 HA3 GLY 8 -5.325 -0.693 -6.190 39 HA3 GLY 8 HA2 GLY 8 -5.912 0.112 -7.633 40 H THR 9 H THR 9 -5.918 2.753 -6.254 41 HA THR 9 HA THR 9 -3.126 3.364 -6.751 42 HB THR 9 HB THR 9 -5.186 5.392 -5.947 43 HG1 THR 9 HG1 THR 9 -5.418 3.701 -8.013 44 HG21 THR 9 HG21 THR 9 -2.518 5.479 -6.866 45 HG22 THR 9 HG22 THR 9 -3.610 6.836 -6.584 46 HG23 THR 9 HG23 THR 9 -3.528 6.085 -8.178 47 H CYS 10 H CYS 10 -1.797 4.509 -5.311 48 HA CYS 10 HA CYS 10 -2.571 4.363 -2.477 49 HB2 CYS 10 HB3 CYS 10 0.203 3.961 -3.624 50 HB3 CYS 10 HB2 CYS 10 -0.233 3.888 -1.920 51 H ASN 11 H ASN 11 -1.814 6.021 -1.134 52 HA ASN 11 HA ASN 11 -1.443 8.557 -2.515 53 HB2 ASN 11 HB3 ASN 11 -3.104 8.377 -0.712 54 HB3 ASN 11 HB2 ASN 11 -1.834 7.926 0.420 55 HD21 ASN 11 HD22 ASN 11 -1.048 9.494 1.614 56 HD22 ASN 11 HD21 ASN 11 -1.100 11.180 1.245 57 H THR 12 H THR 12 0.438 6.253 -0.785 58 HA THR 12 HA THR 12 2.581 8.196 -0.315 59 HB THR 12 HB THR 12 2.538 5.302 0.533 60 HG1 THR 12 HG1 THR 12 0.721 6.204 1.450 61 HG21 THR 12 HG21 THR 12 4.162 5.947 2.143 62 HG22 THR 12 HG22 THR 12 3.909 7.661 1.813 63 HG23 THR 12 HG23 THR 12 4.680 6.635 0.603 64 HA PRO 13 HA PRO 13 4.632 6.765 -4.021 65 HB2 PRO 13 HB2 PRO 13 6.993 8.063 -3.538 66 HB3 PRO 13 HB3 PRO 13 5.564 8.849 -4.217 67 HG2 PRO 13 HG3 PRO 13 6.568 8.844 -1.400 68 HG3 PRO 13 HG2 PRO 13 5.886 10.181 -2.345 69 HD2 PRO 13 HD3 PRO 13 4.442 8.842 -0.501 70 HD3 PRO 13 HD2 PRO 13 3.711 9.498 -1.980 71 H GLY 14 H GLY 14 5.880 5.015 -4.436 72 HA2 GLY 14 HA3 GLY 14 7.685 3.536 -4.077 73 HA3 GLY 14 HA2 GLY 14 7.793 4.106 -2.417 74 H CYS 15 H CYS 15 4.711 3.839 -2.472 75 HA CYS 15 HA CYS 15 4.704 1.115 -1.470 76 HB2 CYS 15 HB3 CYS 15 2.602 3.293 -1.442 77 HB3 CYS 15 HB2 CYS 15 2.381 1.697 -0.736 78 H SER 16 H SER 16 3.767 -0.568 -2.445 79 HA SER 16 HA SER 16 2.508 -0.114 -5.062 80 HB2 SER 16 HB3 SER 16 3.792 -2.652 -4.015 81 HB3 SER 16 HB2 SER 16 3.261 -2.335 -5.667 82 HG SER 16 HG SER 16 5.083 -0.546 -4.569 83 H CYS 17 H CYS 17 0.467 -0.887 -5.405 84 HA CYS 17 HA CYS 17 -1.112 -1.446 -3.144 85 HB2 CYS 17 HB3 CYS 17 -2.014 -0.359 -5.156 86 HB3 CYS 17 HB2 CYS 17 -1.820 -1.866 -6.047 87 H THR 18 H THR 18 -1.548 -3.198 -2.140 88 HA THR 18 HA THR 18 -1.269 -5.812 -3.450 89 HB THR 18 HB THR 18 -0.570 -5.363 -0.540 90 HG1 THR 18 HG1 THR 18 0.845 -4.547 -2.674 91 HG21 THR 18 HG21 THR 18 0.602 -7.494 -2.263 92 HG22 THR 18 HG22 THR 18 -1.078 -7.664 -1.753 93 HG23 THR 18 HG23 THR 18 0.201 -7.526 -0.546 94 H TRP 19 H TRP 19 -3.520 -4.869 -3.680 95 HA TRP 19 HA TRP 19 -5.466 -4.255 -2.117 96 HB2 TRP 19 HB3 TRP 19 -5.441 -5.386 -4.554 97 HB3 TRP 19 HB2 TRP 19 -6.209 -6.680 -3.640 98 HD1 TRP 19 HD1 TRP 19 -6.881 -3.282 -5.121 99 HE1 TRP 19 HE1 TRP 19 -9.338 -2.628 -4.709 100 HE3 TRP 19 HE3 TRP 19 -8.153 -6.966 -1.817 101 HZ2 TRP 19 HZ2 TRP 19 -11.523 -3.560 -3.180 102 HZ3 TRP 19 HZ3 TRP 19 -10.434 -7.008 -0.914 103 HH2 TRP 19 HH2 TRP 19 -12.090 -5.341 -1.585 104 HA PRO 20 HA PRO 20 -6.829 -3.931 -1.111 105 HB2 PRO 20 HB2 PRO 20 -8.191 -3.661 1.142 106 HB3 PRO 20 HB3 PRO 20 -8.723 -4.801 -0.096 107 HG2 PRO 20 HG3 PRO 20 -7.394 -5.322 2.510 108 HG3 PRO 20 HG2 PRO 20 -8.559 -6.318 1.623 109 HD2 PRO 20 HD3 PRO 20 -5.715 -6.570 1.650 110 HD3 PRO 20 HD2 PRO 20 -6.873 -7.497 0.676 111 H ILE 21 H ILE 21 -4.046 -4.416 0.121 112 HA ILE 21 HA ILE 21 -3.983 -1.901 1.623 113 HB ILE 21 HB ILE 21 -2.408 -2.825 3.258 114 HG12 ILE 21 HG13 ILE 21 -3.031 -5.515 2.012 115 HG13 ILE 21 HG12 ILE 21 -1.510 -4.649 1.824 116 HG21 ILE 21 HG21 ILE 21 -4.623 -2.779 4.028 117 HG22 ILE 21 HG22 ILE 21 -4.055 -4.404 4.410 118 HG23 ILE 21 HG23 ILE 21 -5.100 -4.141 3.011 119 HD11 ILE 21 HD11 ILE 21 -2.245 -4.994 4.606 120 HD12 ILE 21 HD12 ILE 21 -0.745 -5.394 3.769 121 HD13 ILE 21 HD13 ILE 21 -2.098 -6.526 3.745 122 H CYS 22 H CYS 22 -2.204 -0.653 1.272 123 HA CYS 22 HA CYS 22 -0.505 -1.448 -0.951 124 HB2 CYS 22 HB3 CYS 22 -1.607 0.869 -0.576 125 HB3 CYS 22 HB2 CYS 22 -0.242 1.162 0.489 126 H THR 23 H THR 23 1.665 -1.648 -0.883 127 HA THR 23 HA THR 23 2.983 -1.618 1.749 128 HB THR 23 HB THR 23 4.133 -3.744 1.160 129 HG1 THR 23 HG1 THR 23 2.189 -4.414 -0.719 130 HG21 THR 23 HG21 THR 23 2.449 -4.189 2.666 131 HG22 THR 23 HG22 THR 23 1.932 -5.185 1.304 132 HG23 THR 23 HG23 THR 23 1.183 -3.613 1.582 133 H ARG 24 H ARG 24 4.931 -0.617 1.693 134 HA ARG 24 HA ARG 24 6.040 0.058 -0.906 135 HB2 ARG 24 HB3 ARG 24 7.517 1.552 0.303 136 HB3 ARG 24 HB2 ARG 24 5.857 1.839 0.783 137 HG2 ARG 24 HG3 ARG 24 6.186 0.842 2.886 138 HG3 ARG 24 HG2 ARG 24 7.711 0.105 2.386 139 HD2 ARG 24 HD3 ARG 24 7.124 2.983 3.009 140 HD3 ARG 24 HD2 ARG 24 8.350 1.931 3.713 141 HE ARG 24 HE ARG 24 8.708 3.616 1.516 142 HH11 ARG 24 HH11 ARG 24 9.494 0.329 2.474 143 HH12 ARG 24 HH12 ARG 24 10.769 0.167 1.301 144 HH21 ARG 24 HH22 ARG 24 10.437 3.381 0.011 145 HH22 ARG 24 HH21 ARG 24 11.295 1.868 -0.070 146 H ASP 25 H ASP 25 7.604 -1.095 -1.788 147 HA ASP 25 HA ASP 25 9.181 -2.694 -2.127 148 HB2 ASP 25 HB3 ASP 25 10.016 -1.847 0.656 149 HB3 ASP 25 HB2 ASP 25 10.924 -2.999 -0.314 150 H GLY 26 H GLY 26 6.585 -3.419 -1.069 151 HA2 GLY 26 HA3 GLY 26 5.571 -5.446 -0.622 152 HA3 GLY 26 HA2 GLY 26 7.161 -6.152 -0.381 153 H LEU 27 H LEU 27 6.794 -3.345 1.444 154 HA LEU 27 HA LEU 27 6.183 -4.960 3.829 155 HB2 LEU 27 HB3 LEU 27 7.741 -2.382 3.607 156 HB3 LEU 27 HB2 LEU 27 7.413 -3.241 5.099 157 HG LEU 27 HG LEU 27 9.058 -4.315 2.805 158 HD11 LEU 27 HD11 LEU 27 10.229 -2.511 3.870 159 HD12 LEU 27 HD12 LEU 27 10.945 -4.036 4.391 160 HD13 LEU 27 HD13 LEU 27 9.860 -3.157 5.469 161 HD21 LEU 27 HD21 LEU 27 9.629 -5.741 5.102 162 HD22 LEU 27 HD22 LEU 27 8.640 -6.291 3.750 163 HD23 LEU 27 HD23 LEU 27 7.877 -5.547 5.154 164 HA PRO 28 HA PRO 28 2.463 -2.521 4.075 165 HB2 PRO 28 HB2 PRO 28 1.533 -3.553 6.392 166 HB3 PRO 28 HB3 PRO 28 1.489 -4.451 4.870 167 HG2 PRO 28 HG3 PRO 28 3.436 -4.654 7.133 168 HG3 PRO 28 HG2 PRO 28 2.682 -5.950 6.185 169 HD2 PRO 28 HD3 PRO 28 5.216 -5.053 5.739 170 HD3 PRO 28 HD2 PRO 28 4.187 -5.734 4.465 171 H VAL 29 H VAL 29 4.625 -1.023 4.682 172 HA VAL 29 HA VAL 29 4.392 -0.019 7.387 173 HB VAL 29 HB VAL 29 6.121 1.022 5.138 174 HG11 VAL 29 HG11 VAL 29 7.156 1.405 7.795 175 HG12 VAL 29 HG12 VAL 29 5.550 2.119 7.645 176 HG13 VAL 29 HG13 VAL 29 6.835 2.596 6.534 177 HG21 VAL 29 HG21 VAL 29 7.537 -0.662 5.441 178 HG22 VAL 29 HG22 VAL 29 6.324 -1.434 6.463 179 HG23 VAL 29 HG23 VAL 29 7.556 -0.398 7.184 Start of MODEL 4 1 H1 CYS 1 H CYS 1 2.935 0.825 4.260 2 HA CYS 1 HA CYS 1 2.282 3.563 4.438 3 HB2 CYS 1 HB3 CYS 1 0.778 1.734 2.612 4 HB3 CYS 1 HB2 CYS 1 1.451 3.332 2.291 5 H GLY 2 H GLY 2 0.409 0.614 4.932 6 HA2 GLY 2 HA3 GLY 2 -1.437 0.254 6.267 7 HA3 GLY 2 HA2 GLY 2 -1.381 1.944 6.732 8 H GLU 3 H GLU 3 -1.536 2.986 4.069 9 HA GLU 3 HA GLU 3 -4.276 3.285 3.793 10 HB2 GLU 3 HB3 GLU 3 -3.775 4.284 1.585 11 HB3 GLU 3 HB2 GLU 3 -2.747 4.901 2.871 12 HG2 GLU 3 HG3 GLU 3 -0.895 3.624 2.119 13 HG3 GLU 3 HG2 GLU 3 -1.903 2.706 1.001 14 H THR 4 H THR 4 -5.846 2.327 2.681 15 HA THR 4 HA THR 4 -5.300 -0.274 1.506 16 HB THR 4 HB THR 4 -7.830 -0.376 1.383 17 HG1 THR 4 HG1 THR 4 -7.974 2.027 1.490 18 HG21 THR 4 HG21 THR 4 -7.903 -0.121 4.089 19 HG22 THR 4 HG22 THR 4 -6.168 -0.268 3.810 20 HG23 THR 4 HG23 THR 4 -7.262 -1.528 3.240 21 H CYS 5 H CYS 5 -4.841 -0.365 -0.616 22 HA CYS 5 HA CYS 5 -5.674 1.798 -2.356 23 HB2 CYS 5 HB3 CYS 5 -4.222 0.749 -4.034 24 HB3 CYS 5 HB2 CYS 5 -3.372 1.030 -2.520 25 H PHE 6 H PHE 6 -7.954 0.811 -1.746 26 HA PHE 6 HA PHE 6 -8.913 -1.473 -3.034 27 HB2 PHE 6 HB3 PHE 6 -10.209 1.043 -2.062 28 HB3 PHE 6 HB2 PHE 6 -11.148 -0.088 -3.029 29 HD1 PHE 6 HD2 PHE 6 -8.625 -0.568 -0.312 30 HD2 PHE 6 HD1 PHE 6 -12.599 -1.225 -1.683 31 HE1 PHE 6 HE2 PHE 6 -9.096 -1.907 1.698 32 HE2 PHE 6 HE1 PHE 6 -13.076 -2.563 0.325 33 HZ PHE 6 HZ PHE 6 -11.322 -2.907 2.018 34 H GLY 7 H GLY 7 -8.526 1.822 -4.230 35 HA2 GLY 7 HA3 GLY 7 -9.725 1.122 -6.791 36 HA3 GLY 7 HA2 GLY 7 -9.139 2.708 -6.314 37 H GLY 8 H GLY 8 -7.000 0.096 -5.711 38 HA2 GLY 8 HA3 GLY 8 -5.013 -0.540 -6.659 39 HA3 GLY 8 HA2 GLY 8 -5.739 -0.153 -8.209 40 H THR 9 H THR 9 -5.089 2.041 -5.514 41 HA THR 9 HA THR 9 -2.858 3.249 -6.938 42 HB THR 9 HB THR 9 -5.077 5.060 -6.022 43 HG1 THR 9 HG1 THR 9 -5.075 3.426 -8.229 44 HG21 THR 9 HG21 THR 9 -2.605 5.304 -7.671 45 HG22 THR 9 HG22 THR 9 -3.222 6.363 -6.403 46 HG23 THR 9 HG23 THR 9 -3.961 6.382 -8.004 47 H CYS 10 H CYS 10 -1.558 4.555 -5.570 48 HA CYS 10 HA CYS 10 -2.239 4.446 -2.714 49 HB2 CYS 10 HB3 CYS 10 0.517 3.967 -3.867 50 HB3 CYS 10 HB2 CYS 10 0.071 3.914 -2.165 51 H ASN 11 H ASN 11 -1.630 6.169 -1.489 52 HA ASN 11 HA ASN 11 -1.046 8.618 -2.953 53 HB2 ASN 11 HB3 ASN 11 -2.882 8.572 -1.312 54 HB3 ASN 11 HB2 ASN 11 -1.740 8.154 -0.041 55 HD21 ASN 11 HD22 ASN 11 -1.057 9.768 1.150 56 HD22 ASN 11 HD21 ASN 11 -1.014 11.431 0.689 57 H THR 12 H THR 12 0.586 6.318 -1.013 58 HA THR 12 HA THR 12 2.739 8.201 -0.366 59 HB THR 12 HB THR 12 2.532 5.323 0.510 60 HG1 THR 12 HG1 THR 12 0.664 6.255 1.257 61 HG21 THR 12 HG21 THR 12 3.833 7.663 1.892 62 HG22 THR 12 HG22 THR 12 4.692 6.610 0.769 63 HG23 THR 12 HG23 THR 12 4.016 5.947 2.256 64 HA PRO 13 HA PRO 13 5.064 6.643 -3.854 65 HB2 PRO 13 HB2 PRO 13 7.413 7.879 -3.191 66 HB3 PRO 13 HB3 PRO 13 6.070 8.699 -3.994 67 HG2 PRO 13 HG3 PRO 13 6.835 8.699 -1.104 68 HG3 PRO 13 HG2 PRO 13 6.279 10.045 -2.117 69 HD2 PRO 13 HD3 PRO 13 4.644 8.774 -0.385 70 HD3 PRO 13 HD2 PRO 13 4.061 9.438 -1.925 71 H GLY 14 H GLY 14 6.351 4.884 -4.152 72 HA2 GLY 14 HA3 GLY 14 8.055 3.352 -3.608 73 HA3 GLY 14 HA2 GLY 14 8.022 3.937 -1.949 74 H CYS 15 H CYS 15 4.962 3.756 -2.264 75 HA CYS 15 HA CYS 15 4.777 1.051 -1.240 76 HB2 CYS 15 HB3 CYS 15 2.766 3.300 -1.444 77 HB3 CYS 15 HB2 CYS 15 2.405 1.721 -0.759 78 H SER 16 H SER 16 3.865 -0.619 -2.252 79 HA SER 16 HA SER 16 2.877 -0.197 -4.988 80 HB2 SER 16 HB3 SER 16 3.948 -2.754 -3.763 81 HB3 SER 16 HB2 SER 16 3.608 -2.450 -5.467 82 HG SER 16 HG SER 16 5.356 -0.679 -4.263 83 H CYS 17 H CYS 17 0.841 -0.896 -5.495 84 HA CYS 17 HA CYS 17 -0.921 -1.402 -3.335 85 HB2 CYS 17 HB3 CYS 17 -1.651 -0.176 -5.323 86 HB3 CYS 17 HB2 CYS 17 -1.445 -1.629 -6.296 87 H THR 18 H THR 18 -1.366 -3.179 -2.388 88 HA THR 18 HA THR 18 -1.262 -5.721 -3.843 89 HB THR 18 HB THR 18 -0.596 -6.697 -1.504 90 HG1 THR 18 HG1 THR 18 -0.722 -4.434 -0.610 91 HG21 THR 18 HG21 THR 18 1.041 -5.578 -3.672 92 HG22 THR 18 HG22 THR 18 1.062 -7.185 -2.948 93 HG23 THR 18 HG23 THR 18 1.909 -5.853 -2.160 94 H TRP 19 H TRP 19 -3.474 -5.031 -4.085 95 HA TRP 19 HA TRP 19 -5.432 -4.337 -2.526 96 HB2 TRP 19 HB3 TRP 19 -5.358 -5.648 -4.905 97 HB3 TRP 19 HB2 TRP 19 -6.187 -6.830 -3.896 98 HD1 TRP 19 HD1 TRP 19 -6.664 -3.437 -5.534 99 HE1 TRP 19 HE1 TRP 19 -9.116 -2.701 -5.260 100 HE3 TRP 19 HE3 TRP 19 -8.228 -7.054 -2.281 101 HZ2 TRP 19 HZ2 TRP 19 -11.408 -3.545 -3.837 102 HZ3 TRP 19 HZ3 TRP 19 -10.554 -7.010 -1.496 103 HH2 TRP 19 HH2 TRP 19 -12.117 -5.295 -2.264 104 HA PRO 20 HA PRO 20 -6.893 -4.067 -1.596 105 HB2 PRO 20 HB2 PRO 20 -8.324 -3.764 0.619 106 HB3 PRO 20 HB3 PRO 20 -8.760 -4.986 -0.581 107 HG2 PRO 20 HG3 PRO 20 -7.495 -5.319 2.083 108 HG3 PRO 20 HG2 PRO 20 -8.551 -6.428 1.191 109 HD2 PRO 20 HD3 PRO 20 -5.694 -6.465 1.338 110 HD3 PRO 20 HD2 PRO 20 -6.746 -7.529 0.383 111 H ILE 21 H ILE 21 -4.131 -4.355 -0.144 112 HA ILE 21 HA ILE 21 -4.273 -1.698 1.069 113 HB ILE 21 HB ILE 21 -2.948 -2.280 2.980 114 HG12 ILE 21 HG13 ILE 21 -1.662 -4.137 1.801 115 HG13 ILE 21 HG12 ILE 21 -2.076 -4.424 3.485 116 HG21 ILE 21 HG21 ILE 21 -5.422 -3.880 2.521 117 HG22 ILE 21 HG22 ILE 21 -5.143 -2.510 3.600 118 HG23 ILE 21 HG23 ILE 21 -4.508 -4.103 4.016 119 HD11 ILE 21 HD11 ILE 21 -3.449 -5.583 1.072 120 HD12 ILE 21 HD12 ILE 21 -3.970 -5.819 2.740 121 HD13 ILE 21 HD13 ILE 21 -2.403 -6.431 2.211 122 H CYS 22 H CYS 22 -2.368 -0.516 0.991 123 HA CYS 22 HA CYS 22 -0.542 -1.379 -1.108 124 HB2 CYS 22 HB3 CYS 22 -1.599 0.970 -0.871 125 HB3 CYS 22 HB2 CYS 22 -0.337 1.246 0.319 126 H THR 23 H THR 23 1.610 -1.627 -0.868 127 HA THR 23 HA THR 23 2.724 -1.577 1.853 128 HB THR 23 HB THR 23 3.870 -3.777 1.301 129 HG1 THR 23 HG1 THR 23 1.757 -4.329 -0.468 130 HG21 THR 23 HG21 THR 23 1.693 -5.122 1.706 131 HG22 THR 23 HG22 THR 23 0.922 -3.538 1.799 132 HG23 THR 23 HG23 THR 23 2.210 -3.960 2.927 133 H ARG 24 H ARG 24 4.687 -0.619 1.902 134 HA ARG 24 HA ARG 24 6.023 -0.109 -0.630 135 HB2 ARG 24 HB3 ARG 24 7.428 1.429 0.605 136 HB3 ARG 24 HB2 ARG 24 5.746 1.771 0.945 137 HG2 ARG 24 HG3 ARG 24 5.937 1.218 3.128 138 HG3 ARG 24 HG2 ARG 24 7.139 -0.039 2.820 139 HD2 ARG 24 HD3 ARG 24 7.616 2.940 2.783 140 HD3 ARG 24 HD2 ARG 24 8.140 1.815 4.036 141 HE ARG 24 HE ARG 24 9.143 0.955 1.540 142 HH11 ARG 24 HH11 ARG 24 9.624 3.528 3.875 143 HH12 ARG 24 HH12 ARG 24 11.282 3.771 3.444 144 HH21 ARG 24 HH22 ARG 24 11.286 1.252 0.972 145 HH22 ARG 24 HH21 ARG 24 12.243 2.464 1.776 146 H ASP 25 H ASP 25 7.733 -1.237 -1.281 147 HA ASP 25 HA ASP 25 9.369 -2.822 -1.359 148 HB2 ASP 25 HB3 ASP 25 9.788 -2.180 1.575 149 HB3 ASP 25 HB2 ASP 25 10.947 -2.934 0.491 150 H GLY 26 H GLY 26 6.611 -3.507 -0.553 151 HA2 GLY 26 HA3 GLY 26 5.536 -5.522 -0.188 152 HA3 GLY 26 HA2 GLY 26 7.092 -6.246 0.190 153 H LEU 27 H LEU 27 6.493 -3.384 1.910 154 HA LEU 27 HA LEU 27 5.709 -4.952 4.278 155 HB2 LEU 27 HB3 LEU 27 7.334 -2.409 4.137 156 HB3 LEU 27 HB2 LEU 27 6.868 -3.232 5.614 157 HG LEU 27 HG LEU 27 8.673 -4.384 3.484 158 HD11 LEU 27 HD11 LEU 27 10.046 -4.107 5.893 159 HD12 LEU 27 HD12 LEU 27 9.181 -2.585 5.674 160 HD13 LEU 27 HD13 LEU 27 10.276 -3.166 4.419 161 HD21 LEU 27 HD21 LEU 27 8.389 -6.348 4.474 162 HD22 LEU 27 HD22 LEU 27 7.185 -5.631 5.545 163 HD23 LEU 27 HD23 LEU 27 8.883 -5.658 6.020 164 HA PRO 28 HA PRO 28 2.041 -2.439 4.231 165 HB2 PRO 28 HB2 PRO 28 0.965 -3.340 6.537 166 HB3 PRO 28 HB3 PRO 28 1.003 -4.319 5.065 167 HG2 PRO 28 HG3 PRO 28 2.808 -4.414 7.451 168 HG3 PRO 28 HG2 PRO 28 2.099 -5.753 6.529 169 HD2 PRO 28 HD3 PRO 28 4.665 -4.894 6.192 170 HD3 PRO 28 HD2 PRO 28 3.711 -5.648 4.900 171 H VAL 29 H VAL 29 4.163 -0.911 4.867 172 HA VAL 29 HA VAL 29 3.813 0.209 7.513 173 HB VAL 29 HB VAL 29 5.635 1.158 5.298 174 HG11 VAL 29 HG11 VAL 29 6.286 2.793 6.654 175 HG12 VAL 29 HG12 VAL 29 6.555 1.659 7.978 176 HG13 VAL 29 HG13 VAL 29 4.956 2.360 7.729 177 HG21 VAL 29 HG21 VAL 29 6.715 -0.338 7.610 178 HG22 VAL 29 HG22 VAL 29 7.244 -0.309 5.928 179 HG23 VAL 29 HG23 VAL 29 5.840 -1.269 6.395 Start of MODEL 5 1 H1 CYS 1 H CYS 1 3.452 1.099 4.043 2 HA CYS 1 HA CYS 1 2.782 3.836 4.237 3 HB2 CYS 1 HB3 CYS 1 1.000 2.059 2.672 4 HB3 CYS 1 HB2 CYS 1 1.820 3.542 2.187 5 H GLY 2 H GLY 2 1.067 0.863 5.035 6 HA2 GLY 2 HA3 GLY 2 -0.752 0.437 6.360 7 HA3 GLY 2 HA2 GLY 2 -0.389 1.960 7.157 8 H GLU 3 H GLU 3 -1.290 1.490 3.775 9 HA GLU 3 HA GLU 3 -3.819 2.870 4.346 10 HB2 GLU 3 HB3 GLU 3 -3.595 4.131 2.271 11 HB3 GLU 3 HB2 GLU 3 -2.233 4.448 3.335 12 HG2 GLU 3 HG3 GLU 3 -0.791 3.083 2.031 13 HG3 GLU 3 HG2 GLU 3 -2.141 2.462 1.082 14 H THR 4 H THR 4 -5.591 2.234 3.200 15 HA THR 4 HA THR 4 -5.386 -0.351 1.891 16 HB THR 4 HB THR 4 -7.923 -0.162 1.888 17 HG1 THR 4 HG1 THR 4 -7.851 2.200 2.135 18 HG21 THR 4 HG21 THR 4 -6.114 -0.502 4.154 19 HG22 THR 4 HG22 THR 4 -7.491 -1.483 3.650 20 HG23 THR 4 HG23 THR 4 -7.747 -0.043 4.636 21 H CYS 5 H CYS 5 -4.950 -0.332 -0.237 22 HA CYS 5 HA CYS 5 -5.720 1.948 -1.854 23 HB2 CYS 5 HB3 CYS 5 -4.414 0.816 -3.644 24 HB3 CYS 5 HB2 CYS 5 -3.484 1.117 -2.180 25 H PHE 6 H PHE 6 -8.029 1.077 -1.215 26 HA PHE 6 HA PHE 6 -9.150 -1.109 -2.545 27 HB2 PHE 6 HB3 PHE 6 -10.280 1.444 -1.457 28 HB3 PHE 6 HB2 PHE 6 -11.306 0.387 -2.421 29 HD1 PHE 6 HD2 PHE 6 -8.709 -0.358 0.158 30 HD2 PHE 6 HD1 PHE 6 -12.788 -0.646 -1.015 31 HE1 PHE 6 HE2 PHE 6 -9.183 -1.724 2.149 32 HE2 PHE 6 HE1 PHE 6 -13.269 -2.011 0.974 33 HZ PHE 6 HZ PHE 6 -11.465 -2.553 2.558 34 H GLY 7 H GLY 7 -8.552 2.179 -3.629 35 HA2 GLY 7 HA3 GLY 7 -9.881 1.700 -6.172 36 HA3 GLY 7 HA2 GLY 7 -9.125 3.200 -5.657 37 H GLY 8 H GLY 8 -7.223 0.384 -5.208 38 HA2 GLY 8 HA3 GLY 8 -5.475 -0.538 -6.399 39 HA3 GLY 8 HA2 GLY 8 -6.033 0.328 -7.818 40 H THR 9 H THR 9 -5.889 2.931 -6.410 41 HA THR 9 HA THR 9 -3.070 3.406 -6.898 42 HB THR 9 HB THR 9 -5.028 5.527 -6.078 43 HG1 THR 9 HG1 THR 9 -5.323 3.877 -8.174 44 HG21 THR 9 HG21 THR 9 -3.539 6.985 -6.964 45 HG22 THR 9 HG22 THR 9 -3.109 5.902 -8.289 46 HG23 THR 9 HG23 THR 9 -2.400 5.666 -6.692 47 H CYS 10 H CYS 10 -1.689 4.458 -5.437 48 HA CYS 10 HA CYS 10 -2.473 4.255 -2.609 49 HB2 CYS 10 HB3 CYS 10 0.283 3.875 -3.804 50 HB3 CYS 10 HB2 CYS 10 -0.114 3.786 -2.092 51 H ASN 11 H ASN 11 -1.759 5.865 -1.216 52 HA ASN 11 HA ASN 11 -1.339 8.445 -2.495 53 HB2 ASN 11 HB3 ASN 11 -1.841 7.674 0.389 54 HB3 ASN 11 HB2 ASN 11 -1.716 9.330 -0.198 55 HD21 ASN 11 HD22 ASN 11 -3.700 6.575 0.151 56 HD22 ASN 11 HD21 ASN 11 -5.130 7.242 -0.560 57 H THR 12 H THR 12 0.480 6.034 -0.898 58 HA THR 12 HA THR 12 2.643 7.911 -0.262 59 HB THR 12 HB THR 12 2.623 4.971 0.388 60 HG1 THR 12 HG1 THR 12 0.701 5.794 1.249 61 HG21 THR 12 HG21 THR 12 4.344 5.430 1.795 62 HG22 THR 12 HG22 THR 12 3.725 7.030 2.206 63 HG23 THR 12 HG23 THR 12 4.584 6.779 0.686 64 HA PRO 13 HA PRO 13 4.681 6.672 -4.044 65 HB2 PRO 13 HB2 PRO 13 7.071 7.881 -3.491 66 HB3 PRO 13 HB3 PRO 13 5.655 8.744 -4.101 67 HG2 PRO 13 HG3 PRO 13 6.676 8.518 -1.299 68 HG3 PRO 13 HG2 PRO 13 6.025 9.935 -2.144 69 HD2 PRO 13 HD3 PRO 13 4.556 8.506 -0.388 70 HD3 PRO 13 HD2 PRO 13 3.835 9.286 -1.809 71 H GLY 14 H GLY 14 5.886 4.929 -4.584 72 HA2 GLY 14 HA3 GLY 14 7.613 3.355 -4.371 73 HA3 GLY 14 HA2 GLY 14 7.843 3.864 -2.703 74 H CYS 15 H CYS 15 4.716 3.655 -2.671 75 HA CYS 15 HA CYS 15 4.718 0.941 -1.651 76 HB2 CYS 15 HB3 CYS 15 2.631 3.128 -1.614 77 HB3 CYS 15 HB2 CYS 15 2.407 1.537 -0.893 78 H SER 16 H SER 16 3.703 -0.746 -2.529 79 HA SER 16 HA SER 16 2.469 -0.375 -5.166 80 HB2 SER 16 HB3 SER 16 3.593 -2.929 -3.992 81 HB3 SER 16 HB2 SER 16 3.154 -2.624 -5.674 82 HG SER 16 HG SER 16 4.940 -0.798 -4.781 83 H CYS 17 H CYS 17 0.392 -1.053 -5.472 84 HA CYS 17 HA CYS 17 -1.172 -1.511 -3.152 85 HB2 CYS 17 HB3 CYS 17 -2.037 -0.271 -5.087 86 HB3 CYS 17 HB2 CYS 17 -1.983 -1.746 -6.047 87 H THR 18 H THR 18 -1.541 -3.272 -2.163 88 HA THR 18 HA THR 18 -1.533 -5.841 -3.592 89 HB THR 18 HB THR 18 -0.786 -5.507 -0.674 90 HG1 THR 18 HG1 THR 18 1.248 -5.149 -1.236 91 HG21 THR 18 HG21 THR 18 -0.903 -7.736 -0.708 92 HG22 THR 18 HG22 THR 18 0.458 -7.740 -1.830 93 HG23 THR 18 HG23 THR 18 -1.195 -7.743 -2.447 94 H TRP 19 H TRP 19 -3.727 -4.842 -3.827 95 HA TRP 19 HA TRP 19 -5.650 -4.134 -2.257 96 HB2 TRP 19 HB3 TRP 19 -5.665 -5.260 -4.708 97 HB3 TRP 19 HB2 TRP 19 -6.527 -6.498 -3.798 98 HD1 TRP 19 HD1 TRP 19 -6.947 -3.050 -5.266 99 HE1 TRP 19 HE1 TRP 19 -9.357 -2.229 -4.873 100 HE3 TRP 19 HE3 TRP 19 -8.513 -6.671 -2.020 101 HZ2 TRP 19 HZ2 TRP 19 -11.617 -3.016 -3.374 102 HZ3 TRP 19 HZ3 TRP 19 -10.799 -6.558 -1.138 103 HH2 TRP 19 HH2 TRP 19 -12.326 -4.770 -1.806 104 HA PRO 20 HA PRO 20 -7.023 -3.767 -1.260 105 HB2 PRO 20 HB2 PRO 20 -8.378 -3.463 0.998 106 HB3 PRO 20 HB3 PRO 20 -8.958 -4.560 -0.258 107 HG2 PRO 20 HG3 PRO 20 -7.669 -5.180 2.345 108 HG3 PRO 20 HG2 PRO 20 -8.868 -6.111 1.432 109 HD2 PRO 20 HD3 PRO 20 -6.037 -6.484 1.476 110 HD3 PRO 20 HD2 PRO 20 -7.226 -7.347 0.482 111 H ILE 21 H ILE 21 -4.275 -4.395 -0.008 112 HA ILE 21 HA ILE 21 -4.124 -1.900 1.524 113 HB ILE 21 HB ILE 21 -2.583 -2.920 3.147 114 HG12 ILE 21 HG13 ILE 21 -3.365 -5.554 1.872 115 HG13 ILE 21 HG12 ILE 21 -1.793 -4.782 1.702 116 HG21 ILE 21 HG21 ILE 21 -4.327 -4.413 4.277 117 HG22 ILE 21 HG22 ILE 21 -5.352 -4.057 2.885 118 HG23 ILE 21 HG23 ILE 21 -4.787 -2.747 3.924 119 HD11 ILE 21 HD11 ILE 21 -2.781 -5.314 4.444 120 HD12 ILE 21 HD12 ILE 21 -1.139 -5.344 3.802 121 HD13 ILE 21 HD13 ILE 21 -2.239 -6.683 3.473 122 H CYS 22 H CYS 22 -2.392 -0.671 1.109 123 HA CYS 22 HA CYS 22 -0.624 -1.523 -1.038 124 HB2 CYS 22 HB3 CYS 22 -1.739 0.784 -0.824 125 HB3 CYS 22 HB2 CYS 22 -0.478 1.133 0.349 126 H THR 23 H THR 23 1.539 -1.671 -0.913 127 HA THR 23 HA THR 23 2.853 -1.485 1.704 128 HB THR 23 HB THR 23 3.949 -3.752 1.151 129 HG1 THR 23 HG1 THR 23 2.587 -3.575 -1.002 130 HG21 THR 23 HG21 THR 23 2.494 -4.834 2.559 131 HG22 THR 23 HG22 THR 23 1.064 -4.175 1.762 132 HG23 THR 23 HG23 THR 23 2.010 -3.164 2.854 133 H ARG 24 H ARG 24 4.861 -0.607 1.506 134 HA ARG 24 HA ARG 24 5.936 -0.298 -1.183 135 HB2 ARG 24 HB3 ARG 24 7.473 1.299 -0.217 136 HB3 ARG 24 HB2 ARG 24 5.840 1.694 0.273 137 HG2 ARG 24 HG3 ARG 24 6.252 1.275 2.460 138 HG3 ARG 24 HG2 ARG 24 7.432 0.007 2.110 139 HD2 ARG 24 HD3 ARG 24 7.862 2.979 1.814 140 HD3 ARG 24 HD2 ARG 24 8.529 1.951 3.084 141 HE ARG 24 HE ARG 24 9.286 0.895 0.588 142 HH11 ARG 24 HH11 ARG 24 9.934 3.717 2.569 143 HH12 ARG 24 HH12 ARG 24 11.526 3.944 1.933 144 HH21 ARG 24 HH22 ARG 24 11.342 1.168 -0.242 145 HH22 ARG 24 HH21 ARG 24 12.341 2.480 0.316 146 H ASP 25 H ASP 25 7.581 -1.476 -1.918 147 HA ASP 25 HA ASP 25 9.185 -3.092 -2.042 148 HB2 ASP 25 HB3 ASP 25 9.893 -2.259 0.787 149 HB3 ASP 25 HB2 ASP 25 10.937 -3.093 -0.355 150 H GLY 26 H GLY 26 6.519 -3.682 -0.943 151 HA2 GLY 26 HA3 GLY 26 5.448 -5.626 -0.306 152 HA3 GLY 26 HA2 GLY 26 7.023 -6.371 -0.069 153 H LEU 27 H LEU 27 6.665 -3.388 1.516 154 HA LEU 27 HA LEU 27 6.173 -4.781 4.063 155 HB2 LEU 27 HB3 LEU 27 7.771 -2.271 3.548 156 HB3 LEU 27 HB2 LEU 27 7.494 -2.990 5.123 157 HG LEU 27 HG LEU 27 9.013 -4.302 2.866 158 HD11 LEU 27 HD11 LEU 27 10.924 -3.453 3.673 159 HD12 LEU 27 HD12 LEU 27 10.397 -3.590 5.350 160 HD13 LEU 27 HD13 LEU 27 9.879 -2.217 4.372 161 HD21 LEU 27 HD21 LEU 27 9.273 -6.142 4.164 162 HD22 LEU 27 HD22 LEU 27 7.721 -5.607 4.807 163 HD23 LEU 27 HD23 LEU 27 9.211 -5.225 5.670 164 HA PRO 28 HA PRO 28 2.562 -2.206 4.348 165 HB2 PRO 28 HB2 PRO 28 1.793 -2.937 6.822 166 HB3 PRO 28 HB3 PRO 28 1.651 -4.027 5.438 167 HG2 PRO 28 HG3 PRO 28 3.736 -3.948 7.582 168 HG3 PRO 28 HG2 PRO 28 2.930 -5.350 6.855 169 HD2 PRO 28 HD3 PRO 28 5.432 -4.500 6.147 170 HD3 PRO 28 HD2 PRO 28 4.347 -5.382 5.056 171 H VAL 29 H VAL 29 4.733 -0.649 4.566 172 HA VAL 29 HA VAL 29 4.806 0.620 7.163 173 HB VAL 29 HB VAL 29 6.229 1.437 4.627 174 HG11 VAL 29 HG11 VAL 29 6.309 2.398 7.438 175 HG12 VAL 29 HG12 VAL 29 6.453 3.298 5.927 176 HG13 VAL 29 HG13 VAL 29 7.820 2.359 6.528 177 HG21 VAL 29 HG21 VAL 29 7.813 -0.100 4.983 178 HG22 VAL 29 HG22 VAL 29 6.626 -0.895 6.018 179 HG23 VAL 29 HG23 VAL 29 7.827 0.189 6.723 Start of MODEL 6 1 H1 CYS 1 H CYS 1 3.265 0.681 4.294 2 HA CYS 1 HA CYS 1 2.577 3.409 4.534 3 HB2 CYS 1 HB3 CYS 1 1.042 1.530 2.774 4 HB3 CYS 1 HB2 CYS 1 1.581 3.175 2.443 5 H GLY 2 H GLY 2 0.802 0.414 5.097 6 HA2 GLY 2 HA3 GLY 2 -0.958 -0.009 6.525 7 HA3 GLY 2 HA2 GLY 2 -0.907 1.674 7.021 8 H GLU 3 H GLU 3 -1.242 2.774 4.411 9 HA GLU 3 HA GLU 3 -4.008 2.987 4.292 10 HB2 GLU 3 HB3 GLU 3 -3.649 4.103 2.114 11 HB3 GLU 3 HB2 GLU 3 -2.584 4.702 3.378 12 HG2 GLU 3 HG3 GLU 3 -0.716 3.627 2.474 13 HG3 GLU 3 HG2 GLU 3 -1.704 2.577 1.459 14 H THR 4 H THR 4 -5.589 2.059 3.158 15 HA THR 4 HA THR 4 -5.009 -0.470 1.848 16 HB THR 4 HB THR 4 -7.535 -0.636 1.773 17 HG1 THR 4 HG1 THR 4 -7.716 1.769 1.997 18 HG21 THR 4 HG21 THR 4 -6.007 -1.498 3.648 19 HG22 THR 4 HG22 THR 4 -7.724 -1.326 4.011 20 HG23 THR 4 HG23 THR 4 -6.577 -0.110 4.574 21 H CYS 5 H CYS 5 -4.717 -0.526 -0.311 22 HA CYS 5 HA CYS 5 -5.545 1.748 -1.910 23 HB2 CYS 5 HB3 CYS 5 -4.287 0.623 -3.739 24 HB3 CYS 5 HB2 CYS 5 -3.311 0.938 -2.309 25 H PHE 6 H PHE 6 -7.791 0.963 -1.225 26 HA PHE 6 HA PHE 6 -9.058 -1.248 -2.314 27 HB2 PHE 6 HB3 PHE 6 -10.061 0.264 -0.634 28 HB3 PHE 6 HB2 PHE 6 -10.223 1.511 -1.865 29 HD1 PHE 6 HD1 PHE 6 -11.044 -2.131 -1.694 30 HD2 PHE 6 HD2 PHE 6 -12.396 1.823 -2.492 31 HE1 PHE 6 HE1 PHE 6 -13.262 -3.014 -2.290 32 HE2 PHE 6 HE2 PHE 6 -14.616 0.949 -3.088 33 HZ PHE 6 HZ PHE 6 -15.052 -1.473 -2.988 34 H GLY 7 H GLY 7 -8.509 1.947 -3.741 35 HA2 GLY 7 HA3 GLY 7 -9.778 1.094 -6.229 36 HA3 GLY 7 HA2 GLY 7 -9.222 2.717 -5.851 37 H GLY 8 H GLY 8 -7.073 0.087 -5.200 38 HA2 GLY 8 HA3 GLY 8 -5.223 -0.723 -6.317 39 HA3 GLY 8 HA2 GLY 8 -5.804 0.064 -7.773 40 H THR 9 H THR 9 -5.910 2.702 -6.424 41 HA THR 9 HA THR 9 -3.132 3.392 -6.849 42 HB THR 9 HB THR 9 -4.590 5.690 -6.154 43 HG1 THR 9 HG1 THR 9 -6.073 4.039 -7.952 44 HG21 THR 9 HG21 THR 9 -2.959 4.793 -8.203 45 HG22 THR 9 HG22 THR 9 -3.675 6.399 -8.073 46 HG23 THR 9 HG23 THR 9 -4.487 5.146 -9.009 47 H CYS 10 H CYS 10 -1.787 4.346 -5.374 48 HA CYS 10 HA CYS 10 -2.663 4.268 -2.568 49 HB2 CYS 10 HB3 CYS 10 0.148 4.028 -3.671 50 HB3 CYS 10 HB2 CYS 10 -0.302 3.943 -1.971 51 H ASN 11 H ASN 11 -1.974 5.941 -1.182 52 HA ASN 11 HA ASN 11 -1.763 8.517 -2.521 53 HB2 ASN 11 HB3 ASN 11 -3.388 8.230 -0.704 54 HB3 ASN 11 HB2 ASN 11 -2.090 7.801 0.403 55 HD21 ASN 11 HD22 ASN 11 -1.325 9.365 1.619 56 HD22 ASN 11 HD21 ASN 11 -1.463 11.057 1.304 57 H THR 12 H THR 12 0.229 6.309 -0.763 58 HA THR 12 HA THR 12 2.301 8.344 -0.368 59 HB THR 12 HB THR 12 2.345 5.481 0.582 60 HG1 THR 12 HG1 THR 12 0.532 6.355 1.506 61 HG21 THR 12 HG21 THR 12 3.676 7.897 1.789 62 HG22 THR 12 HG22 THR 12 4.454 6.895 0.563 63 HG23 THR 12 HG23 THR 12 3.997 6.194 2.115 64 HA PRO 13 HA PRO 13 4.381 6.831 -4.030 65 HB2 PRO 13 HB2 PRO 13 6.672 8.274 -3.654 66 HB3 PRO 13 HB3 PRO 13 5.193 8.955 -4.338 67 HG2 PRO 13 HG3 PRO 13 6.245 9.132 -1.545 68 HG3 PRO 13 HG2 PRO 13 5.481 10.388 -2.537 69 HD2 PRO 13 HD3 PRO 13 4.142 9.058 -0.603 70 HD3 PRO 13 HD2 PRO 13 3.351 9.622 -2.088 71 H GLY 14 H GLY 14 5.789 5.172 -4.390 72 HA2 GLY 14 HA3 GLY 14 7.692 3.841 -3.937 73 HA3 GLY 14 HA2 GLY 14 7.686 4.441 -2.283 74 H CYS 15 H CYS 15 4.673 3.985 -2.349 75 HA CYS 15 HA CYS 15 4.796 1.253 -1.380 76 HB2 CYS 15 HB3 CYS 15 2.622 3.354 -1.327 77 HB3 CYS 15 HB2 CYS 15 2.421 1.729 -0.685 78 H SER 16 H SER 16 3.919 -0.463 -2.357 79 HA SER 16 HA SER 16 2.713 -0.060 -5.004 80 HB2 SER 16 HB3 SER 16 3.951 -2.590 -3.892 81 HB3 SER 16 HB2 SER 16 3.529 -2.252 -5.572 82 HG SER 16 HG SER 16 5.198 -0.369 -4.558 83 H CYS 17 H CYS 17 0.689 -0.842 -5.397 84 HA CYS 17 HA CYS 17 -0.925 -1.446 -3.151 85 HB2 CYS 17 HB3 CYS 17 -1.813 -0.241 -5.086 86 HB3 CYS 17 HB2 CYS 17 -1.598 -1.675 -6.084 87 H THR 18 H THR 18 -1.260 -3.237 -2.208 88 HA THR 18 HA THR 18 -1.074 -5.780 -3.664 89 HB THR 18 HB THR 18 -0.298 -5.408 -0.754 90 HG1 THR 18 HG1 THR 18 1.729 -5.074 -1.377 91 HG21 THR 18 HG21 THR 18 -0.200 -7.691 -2.701 92 HG22 THR 18 HG22 THR 18 -0.857 -7.655 -1.064 93 HG23 THR 18 HG23 THR 18 0.888 -7.639 -1.314 94 H TRP 19 H TRP 19 -3.303 -4.962 -3.910 95 HA TRP 19 HA TRP 19 -5.271 -4.343 -2.353 96 HB2 TRP 19 HB3 TRP 19 -5.215 -5.458 -4.795 97 HB3 TRP 19 HB2 TRP 19 -5.973 -6.768 -3.895 98 HD1 TRP 19 HD1 TRP 19 -6.661 -3.338 -5.313 99 HE1 TRP 19 HE1 TRP 19 -9.134 -2.727 -4.930 100 HE3 TRP 19 HE3 TRP 19 -7.949 -7.137 -2.148 101 HZ2 TRP 19 HZ2 TRP 19 -11.336 -3.732 -3.472 102 HZ3 TRP 19 HZ3 TRP 19 -10.245 -7.234 -1.292 103 HH2 TRP 19 HH2 TRP 19 -11.910 -5.569 -1.944 104 HA PRO 20 HA PRO 20 -6.681 -4.059 -1.396 105 HB2 PRO 20 HB2 PRO 20 -8.122 -3.831 0.812 106 HB3 PRO 20 HB3 PRO 20 -8.582 -4.984 -0.441 107 HG2 PRO 20 HG3 PRO 20 -7.327 -5.472 2.206 108 HG3 PRO 20 HG2 PRO 20 -8.430 -6.501 1.277 109 HD2 PRO 20 HD3 PRO 20 -5.577 -6.659 1.400 110 HD3 PRO 20 HD2 PRO 20 -6.673 -7.628 0.396 111 H ILE 21 H ILE 21 -3.928 -4.472 -0.087 112 HA ILE 21 HA ILE 21 -3.981 -1.967 1.431 113 HB ILE 21 HB ILE 21 -2.437 -2.864 3.115 114 HG12 ILE 21 HG13 ILE 21 -2.969 -5.560 1.841 115 HG13 ILE 21 HG12 ILE 21 -1.460 -4.665 1.704 116 HG21 ILE 21 HG21 ILE 21 -4.681 -2.860 3.807 117 HG22 ILE 21 HG22 ILE 21 -4.091 -4.474 4.208 118 HG23 ILE 21 HG23 ILE 21 -5.093 -4.232 2.775 119 HD11 ILE 21 HD11 ILE 21 -1.924 -4.819 4.432 120 HD12 ILE 21 HD12 ILE 21 -0.776 -5.776 3.494 121 HD13 ILE 21 HD13 ILE 21 -2.395 -6.400 3.808 122 H CYS 22 H CYS 22 -2.253 -0.662 1.133 123 HA CYS 22 HA CYS 22 -0.434 -1.373 -1.016 124 HB2 CYS 22 HB3 CYS 22 -1.594 0.922 -0.609 125 HB3 CYS 22 HB2 CYS 22 -0.260 1.201 0.498 126 H THR 23 H THR 23 1.728 -1.526 -0.854 127 HA THR 23 HA THR 23 2.961 -1.516 1.813 128 HB THR 23 HB THR 23 4.101 -3.707 1.167 129 HG1 THR 23 HG1 THR 23 2.715 -3.322 -1.048 130 HG21 THR 23 HG21 THR 23 1.735 -4.960 1.566 131 HG22 THR 23 HG22 THR 23 1.325 -3.326 2.092 132 HG23 THR 23 HG23 THR 23 2.664 -4.187 2.852 133 H ARG 24 H ARG 24 4.976 -0.654 1.788 134 HA ARG 24 HA ARG 24 6.172 -0.091 -0.814 135 HB2 ARG 24 HB3 ARG 24 7.681 1.396 0.429 136 HB3 ARG 24 HB2 ARG 24 6.002 1.811 0.699 137 HG2 ARG 24 HG3 ARG 24 6.055 1.154 2.896 138 HG3 ARG 24 HG2 ARG 24 7.386 0.022 2.637 139 HD2 ARG 24 HD3 ARG 24 7.612 3.030 2.550 140 HD3 ARG 24 HD2 ARG 24 8.076 2.015 3.916 141 HE ARG 24 HE ARG 24 9.430 1.038 1.689 142 HH11 ARG 24 HH11 ARG 24 9.355 4.007 3.555 143 HH12 ARG 24 HH12 ARG 24 11.005 4.402 3.215 144 HH21 ARG 24 HH22 ARG 24 11.552 1.528 1.236 145 HH22 ARG 24 HH21 ARG 24 12.276 2.979 1.877 146 H ASP 25 H ASP 25 7.873 -1.210 -1.536 147 HA ASP 25 HA ASP 25 9.507 -2.793 -1.673 148 HB2 ASP 25 HB3 ASP 25 10.008 -2.198 1.257 149 HB3 ASP 25 HB2 ASP 25 11.141 -2.915 0.116 150 H GLY 26 H GLY 26 6.769 -3.470 -0.793 151 HA2 GLY 26 HA3 GLY 26 5.684 -5.475 -0.410 152 HA3 GLY 26 HA2 GLY 26 7.247 -6.222 -0.110 153 H LEU 27 H LEU 27 6.842 -3.405 1.702 154 HA LEU 27 HA LEU 27 6.144 -5.006 4.069 155 HB2 LEU 27 HB3 LEU 27 7.709 -2.429 3.888 156 HB3 LEU 27 HB2 LEU 27 7.336 -3.288 5.371 157 HG LEU 27 HG LEU 27 9.055 -4.357 3.129 158 HD11 LEU 27 HD11 LEU 27 10.931 -3.946 4.527 159 HD12 LEU 27 HD12 LEU 27 9.901 -3.466 5.876 160 HD13 LEU 27 HD13 LEU 27 10.009 -2.445 4.441 161 HD21 LEU 27 HD21 LEU 27 8.369 -5.471 5.846 162 HD22 LEU 27 HD22 LEU 27 9.632 -6.105 4.791 163 HD23 LEU 27 HD23 LEU 27 7.945 -6.157 4.277 164 HA PRO 28 HA PRO 28 2.433 -2.572 4.272 165 HB2 PRO 28 HB2 PRO 28 2.001 -3.721 6.909 166 HB3 PRO 28 HB3 PRO 28 1.129 -4.035 5.407 167 HG2 PRO 28 HG3 PRO 28 2.735 -5.876 6.594 168 HG3 PRO 28 HG2 PRO 28 2.476 -5.805 4.842 169 HD2 PRO 28 HD3 PRO 28 4.783 -4.779 6.457 170 HD3 PRO 28 HD2 PRO 28 4.792 -5.645 4.905 171 H VAL 29 H VAL 29 4.570 -1.022 4.808 172 HA VAL 29 HA VAL 29 4.349 0.066 7.481 173 HB VAL 29 HB VAL 29 6.031 1.062 5.175 174 HG11 VAL 29 HG11 VAL 29 6.837 2.648 6.522 175 HG12 VAL 29 HG12 VAL 29 7.001 1.532 7.878 176 HG13 VAL 29 HG13 VAL 29 5.451 2.312 7.560 177 HG21 VAL 29 HG21 VAL 29 6.398 -1.181 7.039 178 HG22 VAL 29 HG22 VAL 29 7.788 -0.109 6.872 179 HG23 VAL 29 HG23 VAL 29 7.105 -0.896 5.449 Start of MODEL 7 1 H1 CYS 1 H CYS 1 3.145 0.746 4.253 2 HA CYS 1 HA CYS 1 2.600 3.492 4.517 3 HB2 CYS 1 HB3 CYS 1 0.947 1.771 2.717 4 HB3 CYS 1 HB2 CYS 1 1.690 3.337 2.396 5 H GLY 2 H GLY 2 0.664 0.611 5.093 6 HA2 GLY 2 HA3 GLY 2 -1.129 0.309 6.510 7 HA3 GLY 2 HA2 GLY 2 -1.021 2.006 6.944 8 H GLU 3 H GLU 3 -1.274 3.010 4.266 9 HA GLU 3 HA GLU 3 -4.047 3.275 4.125 10 HB2 GLU 3 HB3 GLU 3 -3.700 4.444 2.035 11 HB3 GLU 3 HB2 GLU 3 -2.467 4.916 3.194 12 HG2 GLU 3 HG3 GLU 3 -0.807 3.659 2.091 13 HG3 GLU 3 HG2 GLU 3 -2.000 2.807 1.112 14 H THR 4 H THR 4 -5.621 2.368 2.948 15 HA THR 4 HA THR 4 -5.044 -0.208 1.734 16 HB THR 4 HB THR 4 -7.612 -0.289 1.631 17 HG1 THR 4 HG1 THR 4 -8.300 1.272 3.501 18 HG21 THR 4 HG21 THR 4 -7.661 -1.288 3.686 19 HG22 THR 4 HG22 THR 4 -6.793 0.032 4.469 20 HG23 THR 4 HG23 THR 4 -5.913 -1.147 3.497 21 H CYS 5 H CYS 5 -4.705 -0.321 -0.409 22 HA CYS 5 HA CYS 5 -5.517 1.903 -2.084 23 HB2 CYS 5 HB3 CYS 5 -4.178 0.802 -3.843 24 HB3 CYS 5 HB2 CYS 5 -3.256 1.084 -2.371 25 H PHE 6 H PHE 6 -7.807 1.006 -1.416 26 HA PHE 6 HA PHE 6 -8.891 -1.227 -2.708 27 HB2 PHE 6 HB3 PHE 6 -10.058 1.315 -1.640 28 HB3 PHE 6 HB2 PHE 6 -11.071 0.249 -2.606 29 HD1 PHE 6 HD1 PHE 6 -8.488 -0.421 0.011 30 HD2 PHE 6 HD2 PHE 6 -12.534 -0.844 -1.234 31 HE1 PHE 6 HE1 PHE 6 -8.954 -1.793 1.999 32 HE2 PHE 6 HE2 PHE 6 -13.008 -2.215 0.752 33 HZ PHE 6 HZ PHE 6 -11.216 -2.691 2.373 34 H GLY 7 H GLY 7 -8.350 2.053 -3.840 35 HA2 GLY 7 HA3 GLY 7 -9.658 1.492 -6.383 36 HA3 GLY 7 HA2 GLY 7 -8.973 3.031 -5.881 37 H GLY 8 H GLY 8 -6.987 0.265 -5.404 38 HA2 GLY 8 HA3 GLY 8 -5.189 -0.595 -6.560 39 HA3 GLY 8 HA2 GLY 8 -5.755 0.247 -7.990 40 H THR 9 H THR 9 -5.706 2.866 -6.617 41 HA THR 9 HA THR 9 -2.890 3.411 -7.054 42 HB THR 9 HB THR 9 -4.930 5.486 -6.318 43 HG1 THR 9 HG1 THR 9 -5.139 3.795 -8.378 44 HG21 THR 9 HG21 THR 9 -3.040 5.971 -8.498 45 HG22 THR 9 HG22 THR 9 -2.263 5.630 -6.951 46 HG23 THR 9 HG23 THR 9 -3.415 6.959 -7.086 47 H CYS 10 H CYS 10 -1.578 4.545 -5.583 48 HA CYS 10 HA CYS 10 -2.421 4.377 -2.771 49 HB2 CYS 10 HB3 CYS 10 0.362 4.003 -3.905 50 HB3 CYS 10 HB2 CYS 10 -0.048 3.993 -2.193 51 H ASN 11 H ASN 11 -1.743 6.037 -1.394 52 HA ASN 11 HA ASN 11 -1.419 8.595 -2.732 53 HB2 ASN 11 HB3 ASN 11 -1.923 7.854 0.154 54 HB3 ASN 11 HB2 ASN 11 -1.816 9.510 -0.438 55 HD21 ASN 11 HD22 ASN 11 -3.751 6.699 -0.154 56 HD22 ASN 11 HD21 ASN 11 -5.184 7.352 -0.875 57 H THR 12 H THR 12 0.482 6.390 -0.823 58 HA THR 12 HA THR 12 2.545 8.447 -0.488 59 HB THR 12 HB THR 12 3.649 6.689 0.986 60 HG1 THR 12 HG1 THR 12 1.071 5.488 0.657 61 HG21 THR 12 HG21 THR 12 1.942 7.071 2.848 62 HG22 THR 12 HG22 THR 12 1.002 7.953 1.645 63 HG23 THR 12 HG23 THR 12 2.621 8.503 2.075 64 HA PRO 13 HA PRO 13 4.824 6.798 -3.913 65 HB2 PRO 13 HB2 PRO 13 7.082 8.294 -2.758 66 HB3 PRO 13 HB3 PRO 13 6.287 8.493 -4.323 67 HG2 PRO 13 HG3 PRO 13 5.988 10.291 -2.352 68 HG3 PRO 13 HG2 PRO 13 4.668 9.901 -3.473 69 HD2 PRO 13 HD3 PRO 13 5.108 8.964 -0.660 70 HD3 PRO 13 HD2 PRO 13 3.603 9.474 -1.456 71 H GLY 14 H GLY 14 6.169 5.092 -4.236 72 HA2 GLY 14 HA3 GLY 14 7.979 3.664 -3.721 73 HA3 GLY 14 HA2 GLY 14 7.917 4.223 -2.055 74 H CYS 15 H CYS 15 4.901 3.905 -2.256 75 HA CYS 15 HA CYS 15 4.870 1.144 -1.375 76 HB2 CYS 15 HB3 CYS 15 2.792 3.339 -1.306 77 HB3 CYS 15 HB2 CYS 15 2.513 1.708 -0.706 78 H SER 16 H SER 16 3.904 -0.497 -2.402 79 HA SER 16 HA SER 16 2.745 0.038 -5.049 80 HB2 SER 16 HB3 SER 16 3.970 -2.539 -4.031 81 HB3 SER 16 HB2 SER 16 3.488 -2.175 -5.689 82 HG SER 16 HG SER 16 5.304 -0.444 -4.486 83 H CYS 17 H CYS 17 0.703 -0.707 -5.472 84 HA CYS 17 HA CYS 17 -0.949 -1.288 -3.273 85 HB2 CYS 17 HB3 CYS 17 -1.768 -0.165 -5.307 86 HB3 CYS 17 HB2 CYS 17 -1.578 -1.671 -6.200 87 H THR 18 H THR 18 -1.480 -3.054 -2.325 88 HA THR 18 HA THR 18 -1.179 -5.651 -3.658 89 HB THR 18 HB THR 18 -0.520 -5.242 -0.732 90 HG1 THR 18 HG1 THR 18 0.954 -4.487 -2.871 91 HG21 THR 18 HG21 THR 18 0.244 -7.417 -0.750 92 HG22 THR 18 HG22 THR 18 0.604 -7.390 -2.477 93 HG23 THR 18 HG23 THR 18 -1.066 -7.526 -1.927 94 H TRP 19 H TRP 19 -3.427 -4.753 -3.932 95 HA TRP 19 HA TRP 19 -5.395 -4.133 -2.386 96 HB2 TRP 19 HB3 TRP 19 -5.325 -5.292 -4.827 97 HB3 TRP 19 HB2 TRP 19 -6.154 -6.545 -3.906 98 HD1 TRP 19 HD1 TRP 19 -6.671 -3.126 -5.420 99 HE1 TRP 19 HE1 TRP 19 -9.114 -2.387 -5.068 100 HE3 TRP 19 HE3 TRP 19 -8.156 -6.777 -2.170 101 HZ2 TRP 19 HZ2 TRP 19 -11.369 -3.243 -3.596 102 HZ3 TRP 19 HZ3 TRP 19 -10.459 -6.739 -1.322 103 HH2 TRP 19 HH2 TRP 19 -12.038 -5.011 -2.025 104 HA PRO 20 HA PRO 20 -6.792 -3.828 -1.406 105 HB2 PRO 20 HB2 PRO 20 -8.175 -3.570 0.842 106 HB3 PRO 20 HB3 PRO 20 -8.691 -4.702 -0.412 107 HG2 PRO 20 HG3 PRO 20 -7.402 -5.241 2.207 108 HG3 PRO 20 HG2 PRO 20 -8.540 -6.238 1.287 109 HD2 PRO 20 HD3 PRO 20 -5.691 -6.459 1.367 110 HD3 PRO 20 HD2 PRO 20 -6.823 -7.397 0.372 111 H ILE 21 H ILE 21 -4.016 -4.279 -0.127 112 HA ILE 21 HA ILE 21 -4.011 -1.750 1.352 113 HB ILE 21 HB ILE 21 -2.486 -2.642 3.050 114 HG12 ILE 21 HG13 ILE 21 -3.051 -5.354 1.823 115 HG13 ILE 21 HG12 ILE 21 -1.532 -4.479 1.670 116 HG21 ILE 21 HG21 ILE 21 -4.166 -4.239 4.154 117 HG22 ILE 21 HG22 ILE 21 -5.168 -3.956 2.728 118 HG23 ILE 21 HG23 ILE 21 -4.711 -2.606 3.771 119 HD11 ILE 21 HD11 ILE 21 -0.906 -4.916 3.816 120 HD12 ILE 21 HD12 ILE 21 -1.859 -6.359 3.469 121 HD13 ILE 21 HD13 ILE 21 -2.567 -5.035 4.396 122 H CYS 22 H CYS 22 -2.208 -0.510 1.068 123 HA CYS 22 HA CYS 22 -0.442 -1.309 -1.099 124 HB2 CYS 22 HB3 CYS 22 -1.520 1.023 -0.745 125 HB3 CYS 22 HB2 CYS 22 -0.193 1.286 0.374 126 H THR 23 H THR 23 1.730 -1.535 -0.946 127 HA THR 23 HA THR 23 2.924 -1.565 1.744 128 HB THR 23 HB THR 23 4.052 -3.709 1.186 129 HG1 THR 23 HG1 THR 23 2.192 -4.307 -0.801 130 HG21 THR 23 HG21 THR 23 1.831 -5.109 1.214 131 HG22 THR 23 HG22 THR 23 1.082 -3.529 1.438 132 HG23 THR 23 HG23 THR 23 2.273 -4.111 2.600 133 H ARG 24 H ARG 24 4.896 -0.619 1.802 134 HA ARG 24 HA ARG 24 6.172 0.034 -0.730 135 HB2 ARG 24 HB3 ARG 24 7.584 1.521 0.537 136 HB3 ARG 24 HB2 ARG 24 5.915 1.818 0.973 137 HG2 ARG 24 HG3 ARG 24 6.178 0.846 3.083 138 HG3 ARG 24 HG2 ARG 24 7.683 0.043 2.622 139 HD2 ARG 24 HD3 ARG 24 7.214 2.973 3.137 140 HD3 ARG 24 HD2 ARG 24 8.299 1.878 3.992 141 HE ARG 24 HE ARG 24 8.924 3.397 1.711 142 HH11 ARG 24 HH11 ARG 24 9.516 0.215 3.072 143 HH12 ARG 24 HH12 ARG 24 10.900 -0.089 2.064 144 HH21 ARG 24 HH22 ARG 24 10.782 2.974 0.418 145 HH22 ARG 24 HH21 ARG 24 11.595 1.444 0.567 146 H ASP 25 H ASP 25 7.815 -1.126 -1.490 147 HA ASP 25 HA ASP 25 9.415 -2.732 -1.688 148 HB2 ASP 25 HB3 ASP 25 9.939 -2.075 1.226 149 HB3 ASP 25 HB2 ASP 25 11.002 -3.030 0.200 150 H GLY 26 H GLY 26 6.682 -3.411 -0.838 151 HA2 GLY 26 HA3 GLY 26 5.600 -5.433 -0.537 152 HA3 GLY 26 HA2 GLY 26 7.153 -6.180 -0.196 153 H LEU 27 H LEU 27 6.657 -3.396 1.651 154 HA LEU 27 HA LEU 27 5.832 -5.046 3.949 155 HB2 LEU 27 HB3 LEU 27 7.524 -2.543 3.912 156 HB3 LEU 27 HB2 LEU 27 7.039 -3.415 5.354 157 HG LEU 27 HG LEU 27 8.806 -4.521 3.168 158 HD11 LEU 27 HD11 LEU 27 10.412 -3.340 4.156 159 HD12 LEU 27 HD12 LEU 27 10.225 -4.419 5.538 160 HD13 LEU 27 HD13 LEU 27 9.359 -2.883 5.494 161 HD21 LEU 27 HD21 LEU 27 8.378 -5.704 5.889 162 HD22 LEU 27 HD22 LEU 27 9.034 -6.460 4.438 163 HD23 LEU 27 HD23 LEU 27 7.311 -6.102 4.542 164 HA PRO 28 HA PRO 28 2.214 -2.449 4.006 165 HB2 PRO 28 HB2 PRO 28 1.569 -3.703 6.554 166 HB3 PRO 28 HB3 PRO 28 0.761 -3.877 4.995 167 HG2 PRO 28 HG3 PRO 28 2.185 -5.877 6.148 168 HG3 PRO 28 HG2 PRO 28 2.028 -5.691 4.392 169 HD2 PRO 28 HD3 PRO 28 4.303 -4.924 6.185 170 HD3 PRO 28 HD2 PRO 28 4.341 -5.678 4.576 171 H VAL 29 H VAL 29 4.366 -1.019 4.746 172 HA VAL 29 HA VAL 29 4.029 -0.052 7.455 173 HB VAL 29 HB VAL 29 5.892 0.981 5.311 174 HG11 VAL 29 HG11 VAL 29 6.630 1.239 8.137 175 HG12 VAL 29 HG12 VAL 29 5.227 2.190 7.653 176 HG13 VAL 29 HG13 VAL 29 6.764 2.399 6.816 177 HG21 VAL 29 HG21 VAL 29 6.590 -0.918 7.539 178 HG22 VAL 29 HG22 VAL 29 7.602 -0.413 6.186 179 HG23 VAL 29 HG23 VAL 29 6.199 -1.445 5.901 Start of MODEL 8 1 H1 CYS 1 H CYS 1 3.008 0.723 4.494 2 HA CYS 1 HA CYS 1 2.602 3.510 4.579 3 HB2 CYS 1 HB3 CYS 1 0.931 1.628 2.924 4 HB3 CYS 1 HB2 CYS 1 1.464 3.259 2.527 5 H GLY 2 H GLY 2 0.632 0.770 5.519 6 HA2 GLY 2 HA3 GLY 2 -1.271 0.608 6.782 7 HA3 GLY 2 HA2 GLY 2 -0.902 2.224 7.360 8 H GLU 3 H GLU 3 -1.732 1.085 4.103 9 HA GLU 3 HA GLU 3 -4.271 2.498 4.275 10 HB2 GLU 3 HB3 GLU 3 -3.850 3.686 2.149 11 HB3 GLU 3 HB2 GLU 3 -2.769 4.200 3.436 12 HG2 GLU 3 HG3 GLU 3 -0.938 3.085 2.498 13 HG3 GLU 3 HG2 GLU 3 -1.964 2.120 1.437 14 H THR 4 H THR 4 -5.847 1.690 3.008 15 HA THR 4 HA THR 4 -5.275 -0.826 1.648 16 HB THR 4 HB THR 4 -7.812 -0.950 1.541 17 HG1 THR 4 HG1 THR 4 -8.019 1.405 1.890 18 HG21 THR 4 HG21 THR 4 -6.761 -2.234 3.224 19 HG22 THR 4 HG22 THR 4 -8.025 -1.327 4.053 20 HG23 THR 4 HG23 THR 4 -6.344 -0.803 4.167 21 H CYS 5 H CYS 5 -4.814 -0.689 -0.474 22 HA CYS 5 HA CYS 5 -5.735 1.596 -2.000 23 HB2 CYS 5 HB3 CYS 5 -4.286 0.691 -3.796 24 HB3 CYS 5 HB2 CYS 5 -3.424 0.957 -2.285 25 H PHE 6 H PHE 6 -7.978 0.509 -1.476 26 HA PHE 6 HA PHE 6 -8.882 -1.687 -2.953 27 HB2 PHE 6 HB3 PHE 6 -10.241 0.700 -1.757 28 HB3 PHE 6 HB2 PHE 6 -11.154 -0.373 -2.812 29 HD1 PHE 6 HD1 PHE 6 -8.578 -1.057 -0.195 30 HD2 PHE 6 HD2 PHE 6 -12.583 -1.610 -1.520 31 HE1 PHE 6 HE1 PHE 6 -8.992 -2.573 1.697 32 HE2 PHE 6 HE2 PHE 6 -13.005 -3.126 0.370 33 HZ PHE 6 HZ PHE 6 -11.207 -3.609 1.982 34 H GLY 7 H GLY 7 -8.529 1.696 -3.837 35 HA2 GLY 7 HA3 GLY 7 -9.736 1.237 -6.448 36 HA3 GLY 7 HA2 GLY 7 -9.158 2.774 -5.823 37 H GLY 8 H GLY 8 -7.011 0.115 -5.475 38 HA2 GLY 8 HA3 GLY 8 -5.140 -0.554 -6.644 39 HA3 GLY 8 HA2 GLY 8 -5.726 0.352 -8.027 40 H THR 9 H THR 9 -5.875 2.859 -6.446 41 HA THR 9 HA THR 9 -3.094 3.615 -6.782 42 HB THR 9 HB THR 9 -5.258 5.496 -5.904 43 HG1 THR 9 HG1 THR 9 -5.349 3.970 -8.107 44 HG21 THR 9 HG21 THR 9 -3.238 6.104 -7.999 45 HG22 THR 9 HG22 THR 9 -2.675 5.964 -6.334 46 HG23 THR 9 HG23 THR 9 -3.917 7.146 -6.748 47 H CYS 10 H CYS 10 -1.864 4.668 -5.194 48 HA CYS 10 HA CYS 10 -2.734 4.200 -2.424 49 HB2 CYS 10 HB3 CYS 10 0.090 4.157 -3.514 50 HB3 CYS 10 HB2 CYS 10 -0.367 3.901 -1.834 51 H ASN 11 H ASN 11 -2.138 5.741 -0.872 52 HA ASN 11 HA ASN 11 -1.966 8.446 -1.935 53 HB2 ASN 11 HB3 ASN 11 -3.633 7.910 -0.201 54 HB3 ASN 11 HB2 ASN 11 -2.340 7.450 0.901 55 HD21 ASN 11 HD22 ASN 11 -1.719 8.941 2.278 56 HD22 ASN 11 HD21 ASN 11 -1.916 10.646 2.092 57 H THR 12 H THR 12 0.052 6.105 -0.414 58 HA THR 12 HA THR 12 2.042 8.136 0.298 59 HB THR 12 HB THR 12 2.227 5.182 0.856 60 HG1 THR 12 HG1 THR 12 0.307 5.787 1.793 61 HG21 THR 12 HG21 THR 12 3.620 5.925 2.728 62 HG22 THR 12 HG22 THR 12 3.381 7.603 2.243 63 HG23 THR 12 HG23 THR 12 4.262 6.498 1.189 64 HA PRO 13 HA PRO 13 4.220 7.228 -3.502 65 HB2 PRO 13 HB2 PRO 13 6.398 8.737 -2.208 66 HB3 PRO 13 HB3 PRO 13 5.543 9.073 -3.716 67 HG2 PRO 13 HG3 PRO 13 5.159 10.568 -1.523 68 HG3 PRO 13 HG2 PRO 13 3.838 10.211 -2.652 69 HD2 PRO 13 HD3 PRO 13 4.451 8.968 0.005 70 HD3 PRO 13 HD2 PRO 13 2.882 9.435 -0.686 71 H GLY 14 H GLY 14 5.562 5.597 -4.053 72 HA2 GLY 14 HA3 GLY 14 7.469 4.228 -3.835 73 HA3 GLY 14 HA2 GLY 14 7.568 4.674 -2.137 74 H CYS 15 H CYS 15 4.497 4.156 -2.200 75 HA CYS 15 HA CYS 15 4.742 1.384 -1.376 76 HB2 CYS 15 HB3 CYS 15 2.442 3.347 -1.230 77 HB3 CYS 15 HB2 CYS 15 2.377 1.699 -0.619 78 H SER 16 H SER 16 3.918 -0.319 -2.429 79 HA SER 16 HA SER 16 2.732 0.167 -5.069 80 HB2 SER 16 HB3 SER 16 4.024 -2.372 -4.040 81 HB3 SER 16 HB2 SER 16 3.597 -1.993 -5.709 82 HG SER 16 HG SER 16 5.213 -0.098 -4.633 83 H CYS 17 H CYS 17 0.723 -0.618 -5.510 84 HA CYS 17 HA CYS 17 -0.894 -1.371 -3.316 85 HB2 CYS 17 HB3 CYS 17 -1.776 -0.084 -5.210 86 HB3 CYS 17 HB2 CYS 17 -1.551 -1.481 -6.257 87 H THR 18 H THR 18 -1.162 -3.216 -2.456 88 HA THR 18 HA THR 18 -0.895 -5.676 -4.042 89 HB THR 18 HB THR 18 -0.226 -5.454 -1.092 90 HG1 THR 18 HG1 THR 18 1.785 -4.937 -1.608 91 HG21 THR 18 HG21 THR 18 0.631 -7.630 -1.274 92 HG22 THR 18 HG22 THR 18 0.712 -7.549 -3.033 93 HG23 THR 18 HG23 THR 18 -0.851 -7.682 -2.228 94 H TRP 19 H TRP 19 -3.151 -4.871 -4.289 95 HA TRP 19 HA TRP 19 -5.169 -4.409 -2.743 96 HB2 TRP 19 HB3 TRP 19 -5.018 -5.390 -5.252 97 HB3 TRP 19 HB2 TRP 19 -5.798 -6.745 -4.441 98 HD1 TRP 19 HD1 TRP 19 -6.465 -3.260 -5.725 99 HE1 TRP 19 HE1 TRP 19 -8.947 -2.670 -5.370 100 HE3 TRP 19 HE3 TRP 19 -7.812 -7.192 -2.752 101 HZ2 TRP 19 HZ2 TRP 19 -11.176 -3.734 -4.000 102 HZ3 TRP 19 HZ3 TRP 19 -10.126 -7.324 -1.946 103 HH2 TRP 19 HH2 TRP 19 -11.779 -5.633 -2.562 104 HA PRO 20 HA PRO 20 -6.599 -4.221 -1.776 105 HB2 PRO 20 HB2 PRO 20 -8.047 -4.166 0.442 106 HB3 PRO 20 HB3 PRO 20 -8.487 -5.235 -0.893 107 HG2 PRO 20 HG3 PRO 20 -7.233 -5.891 1.718 108 HG3 PRO 20 HG2 PRO 20 -8.313 -6.869 0.711 109 HD2 PRO 20 HD3 PRO 20 -5.461 -6.991 0.842 110 HD3 PRO 20 HD2 PRO 20 -6.535 -7.900 -0.239 111 H ILE 21 H ILE 21 -3.844 -4.668 -0.465 112 HA ILE 21 HA ILE 21 -3.967 -2.258 1.198 113 HB ILE 21 HB ILE 21 -2.411 -3.224 2.837 114 HG12 ILE 21 HG13 ILE 21 -2.904 -5.851 1.412 115 HG13 ILE 21 HG12 ILE 21 -1.404 -4.933 1.335 116 HG21 ILE 21 HG21 ILE 21 -5.053 -4.587 2.401 117 HG22 ILE 21 HG22 ILE 21 -4.650 -3.286 3.526 118 HG23 ILE 21 HG23 ILE 21 -4.056 -4.921 3.820 119 HD11 ILE 21 HD11 ILE 21 -0.681 -5.859 3.208 120 HD12 ILE 21 HD12 ILE 21 -2.096 -6.912 3.171 121 HD13 ILE 21 HD13 ILE 21 -2.149 -5.394 4.067 122 H CYS 22 H CYS 22 -2.302 -0.882 0.946 123 HA CYS 22 HA CYS 22 -0.419 -1.456 -1.190 124 HB2 CYS 22 HB3 CYS 22 -1.681 0.766 -0.791 125 HB3 CYS 22 HB2 CYS 22 -0.427 1.084 0.397 126 H THR 23 H THR 23 1.741 -1.510 -1.002 127 HA THR 23 HA THR 23 2.961 -1.480 1.668 128 HB THR 23 HB THR 23 4.177 -3.623 1.038 129 HG1 THR 23 HG1 THR 23 3.044 -3.289 -1.241 130 HG21 THR 23 HG21 THR 23 1.338 -3.396 1.837 131 HG22 THR 23 HG22 THR 23 2.696 -4.140 2.681 132 HG23 THR 23 HG23 THR 23 1.896 -5.001 1.367 133 H ARG 24 H ARG 24 4.895 -0.423 1.601 134 HA ARG 24 HA ARG 24 6.063 0.075 -1.024 135 HB2 ARG 24 HB3 ARG 24 7.344 1.811 0.011 136 HB3 ARG 24 HB2 ARG 24 5.680 1.995 0.515 137 HG2 ARG 24 HG3 ARG 24 6.148 1.266 2.691 138 HG3 ARG 24 HG2 ARG 24 7.711 0.593 2.218 139 HD2 ARG 24 HD3 ARG 24 6.930 3.492 2.459 140 HD3 ARG 24 HD2 ARG 24 8.168 2.622 3.365 141 HE ARG 24 HE ARG 24 8.522 3.936 0.905 142 HH11 ARG 24 HH11 ARG 24 9.522 1.020 2.578 143 HH12 ARG 24 HH12 ARG 24 10.886 0.742 1.532 144 HH21 ARG 24 HH22 ARG 24 10.356 3.560 -0.443 145 HH22 ARG 24 HH21 ARG 24 11.342 2.155 -0.165 146 H ASP 25 H ASP 25 7.796 -0.997 -1.701 147 HA ASP 25 HA ASP 25 9.510 -2.493 -1.777 148 HB2 ASP 25 HB3 ASP 25 10.031 -1.492 1.038 149 HB3 ASP 25 HB2 ASP 25 11.151 -2.459 0.086 150 H GLY 26 H GLY 26 6.875 -3.299 -0.845 151 HA2 GLY 26 HA3 GLY 26 5.943 -5.343 -0.303 152 HA3 GLY 26 HA2 GLY 26 7.549 -5.933 0.095 153 H LEU 27 H LEU 27 6.958 -3.029 1.679 154 HA LEU 27 HA LEU 27 6.308 -4.492 4.144 155 HB2 LEU 27 HB3 LEU 27 7.604 -1.787 3.795 156 HB3 LEU 27 HB2 LEU 27 7.291 -2.573 5.330 157 HG LEU 27 HG LEU 27 9.160 -3.612 3.196 158 HD11 LEU 27 HD11 LEU 27 9.503 -1.675 5.318 159 HD12 LEU 27 HD12 LEU 27 10.596 -2.123 4.009 160 HD13 LEU 27 HD13 LEU 27 10.585 -3.055 5.507 161 HD21 LEU 27 HD21 LEU 27 9.278 -5.522 4.328 162 HD22 LEU 27 HD22 LEU 27 7.872 -4.986 5.250 163 HD23 LEU 27 HD23 LEU 27 9.497 -4.672 5.859 164 HA PRO 28 HA PRO 28 2.411 -2.327 3.993 165 HB2 PRO 28 HB2 PRO 28 1.655 -3.697 6.405 166 HB3 PRO 28 HB3 PRO 28 1.135 -4.035 4.754 167 HG2 PRO 28 HG3 PRO 28 2.720 -5.708 6.259 168 HG3 PRO 28 HG2 PRO 28 2.663 -5.703 4.488 169 HD2 PRO 28 HD3 PRO 28 4.673 -4.465 6.326 170 HD3 PRO 28 HD2 PRO 28 4.921 -5.293 4.773 171 H VAL 29 H VAL 29 4.513 -0.876 5.026 172 HA VAL 29 HA VAL 29 3.772 0.013 7.681 173 HB VAL 29 HB VAL 29 6.166 -0.232 7.019 174 HG11 VAL 29 HG11 VAL 29 5.326 1.633 4.937 175 HG12 VAL 29 HG12 VAL 29 6.685 0.509 4.980 176 HG13 VAL 29 HG13 VAL 29 6.823 2.089 5.751 177 HG21 VAL 29 HG21 VAL 29 5.602 2.634 7.713 178 HG22 VAL 29 HG22 VAL 29 6.928 1.605 8.257 179 HG23 VAL 29 HG23 VAL 29 5.290 1.319 8.846 Start of MODEL 9 1 H1 CYS 1 H CYS 1 3.000 0.722 4.309 2 HA CYS 1 HA CYS 1 2.251 3.425 4.567 3 HB2 CYS 1 HB3 CYS 1 0.815 1.582 2.696 4 HB3 CYS 1 HB2 CYS 1 1.391 3.225 2.421 5 H GLY 2 H GLY 2 0.490 0.398 4.995 6 HA2 GLY 2 HA3 GLY 2 -1.342 -0.070 6.311 7 HA3 GLY 2 HA2 GLY 2 -1.321 1.597 6.859 8 H GLU 3 H GLU 3 -1.523 2.722 4.204 9 HA GLU 3 HA GLU 3 -4.257 3.031 3.998 10 HB2 GLU 3 HB3 GLU 3 -3.818 4.038 1.783 11 HB3 GLU 3 HB2 GLU 3 -2.751 4.640 3.043 12 HG2 GLU 3 HG3 GLU 3 -0.929 3.358 2.230 13 HG3 GLU 3 HG2 GLU 3 -1.974 2.460 1.128 14 H THR 4 H THR 4 -5.861 2.164 2.874 15 HA THR 4 HA THR 4 -5.460 -0.479 1.739 16 HB THR 4 HB THR 4 -7.989 1.119 2.243 17 HG1 THR 4 HG1 THR 4 -6.361 -0.328 3.882 18 HG21 THR 4 HG21 THR 4 -8.669 -1.545 2.283 19 HG22 THR 4 HG22 THR 4 -7.516 -1.455 0.951 20 HG23 THR 4 HG23 THR 4 -8.954 -0.432 0.944 21 H CYS 5 H CYS 5 -4.896 -0.539 -0.366 22 HA CYS 5 HA CYS 5 -5.747 1.584 -2.153 23 HB2 CYS 5 HB3 CYS 5 -4.253 0.537 -3.794 24 HB3 CYS 5 HB2 CYS 5 -3.424 0.846 -2.273 25 H PHE 6 H PHE 6 -7.971 0.423 -1.426 26 HA PHE 6 HA PHE 6 -8.807 -1.875 -2.774 27 HB2 PHE 6 HB3 PHE 6 -11.133 -0.965 -2.435 28 HB3 PHE 6 HB2 PHE 6 -10.149 -1.072 -0.982 29 HD1 PHE 6 HD2 PHE 6 -11.334 1.319 -3.573 30 HD2 PHE 6 HD1 PHE 6 -9.840 0.785 0.376 31 HE1 PHE 6 HE2 PHE 6 -11.810 3.681 -3.077 32 HE2 PHE 6 HE1 PHE 6 -10.321 3.143 0.881 33 HZ PHE 6 HZ PHE 6 -11.303 4.596 -0.848 34 H GLY 7 H GLY 7 -8.510 1.417 -3.896 35 HA2 GLY 7 HA3 GLY 7 -9.895 0.776 -6.391 36 HA3 GLY 7 HA2 GLY 7 -9.340 2.367 -5.894 37 H GLY 8 H GLY 8 -7.055 -0.134 -5.460 38 HA2 GLY 8 HA3 GLY 8 -5.117 -0.691 -6.553 39 HA3 GLY 8 HA2 GLY 8 -5.931 -0.258 -8.047 40 H THR 9 H THR 9 -5.221 1.835 -5.289 41 HA THR 9 HA THR 9 -3.086 3.171 -6.739 42 HB THR 9 HB THR 9 -5.346 4.873 -5.716 43 HG1 THR 9 HG1 THR 9 -5.304 3.332 -8.003 44 HG21 THR 9 HG21 THR 9 -2.811 5.461 -6.627 45 HG22 THR 9 HG22 THR 9 -4.158 6.593 -6.515 46 HG23 THR 9 HG23 THR 9 -3.828 5.763 -8.036 47 H CYS 10 H CYS 10 -1.798 4.485 -5.370 48 HA CYS 10 HA CYS 10 -2.402 4.294 -2.503 49 HB2 CYS 10 HB3 CYS 10 0.330 3.882 -3.741 50 HB3 CYS 10 HB2 CYS 10 -0.052 3.828 -2.023 51 H ASN 11 H ASN 11 -1.834 6.014 -1.269 52 HA ASN 11 HA ASN 11 -1.336 8.501 -2.703 53 HB2 ASN 11 HB3 ASN 11 -3.152 8.369 -1.041 54 HB3 ASN 11 HB2 ASN 11 -1.980 7.979 0.211 55 HD21 ASN 11 HD22 ASN 11 -1.343 9.604 1.411 56 HD22 ASN 11 HD21 ASN 11 -1.364 11.272 0.965 57 H THR 12 H THR 12 0.406 6.217 -0.846 58 HA THR 12 HA THR 12 2.486 8.169 -0.165 59 HB THR 12 HB THR 12 2.430 5.258 0.618 60 HG1 THR 12 HG1 THR 12 0.522 6.061 1.412 61 HG21 THR 12 HG21 THR 12 3.807 6.009 2.478 62 HG22 THR 12 HG22 THR 12 3.680 7.679 1.921 63 HG23 THR 12 HG23 THR 12 4.538 6.486 0.946 64 HA PRO 13 HA PRO 13 4.817 6.862 -3.751 65 HB2 PRO 13 HB2 PRO 13 7.024 8.272 -2.388 66 HB3 PRO 13 HB3 PRO 13 6.312 8.572 -3.976 67 HG2 PRO 13 HG3 PRO 13 5.894 10.238 -1.920 68 HG3 PRO 13 HG2 PRO 13 4.630 9.905 -3.120 69 HD2 PRO 13 HD3 PRO 13 4.951 8.813 -0.349 70 HD3 PRO 13 HD2 PRO 13 3.477 9.340 -1.190 71 H GLY 14 H GLY 14 6.043 5.094 -4.117 72 HA2 GLY 14 HA3 GLY 14 7.798 3.580 -3.697 73 HA3 GLY 14 HA2 GLY 14 7.844 4.128 -2.026 74 H CYS 15 H CYS 15 4.751 3.895 -2.251 75 HA CYS 15 HA CYS 15 4.676 1.174 -1.245 76 HB2 CYS 15 HB3 CYS 15 2.599 3.370 -1.339 77 HB3 CYS 15 HB2 CYS 15 2.302 1.770 -0.672 78 H SER 16 H SER 16 3.838 -0.512 -2.282 79 HA SER 16 HA SER 16 2.690 -0.072 -4.950 80 HB2 SER 16 HB3 SER 16 3.985 -2.586 -3.857 81 HB3 SER 16 HB2 SER 16 3.519 -2.273 -5.530 82 HG SER 16 HG SER 16 5.275 -0.483 -4.301 83 H CYS 17 H CYS 17 0.667 -0.834 -5.357 84 HA CYS 17 HA CYS 17 -0.971 -1.488 -3.162 85 HB2 CYS 17 HB3 CYS 17 -1.828 -0.331 -5.148 86 HB3 CYS 17 HB2 CYS 17 -1.583 -1.792 -6.100 87 H THR 18 H THR 18 -1.284 -3.288 -2.192 88 HA THR 18 HA THR 18 -0.955 -5.840 -3.622 89 HB THR 18 HB THR 18 -0.377 -5.512 -0.673 90 HG1 THR 18 HG1 THR 18 1.079 -4.507 -2.675 91 HG21 THR 18 HG21 THR 18 0.984 -7.561 -1.085 92 HG22 THR 18 HG22 THR 18 0.389 -7.573 -2.744 93 HG23 THR 18 HG23 THR 18 -0.736 -7.783 -1.403 94 H TRP 19 H TRP 19 -3.233 -5.067 -3.931 95 HA TRP 19 HA TRP 19 -5.260 -4.562 -2.408 96 HB2 TRP 19 HB3 TRP 19 -5.097 -5.653 -4.867 97 HB3 TRP 19 HB2 TRP 19 -5.847 -6.986 -3.995 98 HD1 TRP 19 HD1 TRP 19 -6.594 -3.604 -5.467 99 HE1 TRP 19 HE1 TRP 19 -9.084 -3.036 -5.125 100 HE3 TRP 19 HE3 TRP 19 -7.839 -7.358 -2.233 101 HZ2 TRP 19 HZ2 TRP 19 -11.280 -4.051 -3.667 102 HZ3 TRP 19 HZ3 TRP 19 -10.143 -7.482 -1.398 103 HH2 TRP 19 HH2 TRP 19 -11.834 -5.865 -2.104 104 HA PRO 20 HA PRO 20 -6.650 -4.327 -1.417 105 HB2 PRO 20 HB2 PRO 20 -8.064 -4.180 0.821 106 HB3 PRO 20 HB3 PRO 20 -8.527 -5.297 -0.467 107 HG2 PRO 20 HG3 PRO 20 -7.249 -5.858 2.152 108 HG3 PRO 20 HG2 PRO 20 -8.333 -6.874 1.188 109 HD2 PRO 20 HD3 PRO 20 -5.476 -6.978 1.302 110 HD3 PRO 20 HD2 PRO 20 -6.557 -7.941 0.274 111 H ILE 21 H ILE 21 -3.871 -4.720 -0.114 112 HA ILE 21 HA ILE 21 -3.995 -2.236 1.435 113 HB ILE 21 HB ILE 21 -2.423 -3.120 3.110 114 HG12 ILE 21 HG13 ILE 21 -2.953 -5.816 1.835 115 HG13 ILE 21 HG12 ILE 21 -1.446 -4.918 1.696 116 HG21 ILE 21 HG21 ILE 21 -5.079 -4.486 2.774 117 HG22 ILE 21 HG22 ILE 21 -4.661 -3.119 3.811 118 HG23 ILE 21 HG23 ILE 21 -4.072 -4.735 4.204 119 HD11 ILE 21 HD11 ILE 21 -0.840 -6.229 3.413 120 HD12 ILE 21 HD12 ILE 21 -2.504 -6.515 3.924 121 HD13 ILE 21 HD13 ILE 21 -1.688 -5.015 4.370 122 H CYS 22 H CYS 22 -2.351 -0.859 1.089 123 HA CYS 22 HA CYS 22 -0.471 -1.549 -1.012 124 HB2 CYS 22 HB3 CYS 22 -1.687 0.698 -0.745 125 HB3 CYS 22 HB2 CYS 22 -0.473 1.057 0.472 126 H THR 23 H THR 23 1.686 -1.676 -0.826 127 HA THR 23 HA THR 23 2.870 -1.589 1.868 128 HB THR 23 HB THR 23 4.111 -3.683 1.356 129 HG1 THR 23 HG1 THR 23 2.290 -4.419 -0.621 130 HG21 THR 23 HG21 THR 23 1.246 -3.495 1.877 131 HG22 THR 23 HG22 THR 23 2.482 -4.452 2.692 132 HG23 THR 23 HG23 THR 23 1.730 -5.056 1.216 133 H ARG 24 H ARG 24 4.799 -0.540 1.904 134 HA ARG 24 HA ARG 24 6.011 0.146 -0.647 135 HB2 ARG 24 HB3 ARG 24 7.347 1.727 0.569 136 HB3 ARG 24 HB2 ARG 24 5.681 1.918 1.067 137 HG2 ARG 24 HG3 ARG 24 6.085 0.980 3.170 138 HG3 ARG 24 HG2 ARG 24 7.616 0.267 2.653 139 HD2 ARG 24 HD3 ARG 24 6.991 3.164 3.182 140 HD3 ARG 24 HD2 ARG 24 8.184 2.142 3.983 141 HE ARG 24 HE ARG 24 8.597 3.690 1.671 142 HH11 ARG 24 HH11 ARG 24 9.465 0.567 3.019 143 HH12 ARG 24 HH12 ARG 24 10.814 0.342 1.943 144 HH21 ARG 24 HH22 ARG 24 10.411 3.375 0.283 145 HH22 ARG 24 HH21 ARG 24 11.331 1.904 0.404 146 H ASP 25 H ASP 25 7.677 -0.936 -1.434 147 HA ASP 25 HA ASP 25 9.347 -2.465 -1.664 148 HB2 ASP 25 HB3 ASP 25 9.927 -1.736 1.220 149 HB3 ASP 25 HB2 ASP 25 11.005 -2.651 0.175 150 H GLY 26 H GLY 26 6.682 -3.273 -0.727 151 HA2 GLY 26 HA3 GLY 26 5.724 -5.351 -0.375 152 HA3 GLY 26 HA2 GLY 26 7.322 -6.000 -0.043 153 H LEU 27 H LEU 27 6.737 -3.216 1.759 154 HA LEU 27 HA LEU 27 6.054 -4.856 4.108 155 HB2 LEU 27 HB3 LEU 27 7.520 -2.220 3.975 156 HB3 LEU 27 HB2 LEU 27 7.145 -3.097 5.445 157 HG LEU 27 HG LEU 27 8.957 -4.096 3.246 158 HD11 LEU 27 HD11 LEU 27 10.588 -2.939 4.197 159 HD12 LEU 27 HD12 LEU 27 10.270 -3.740 5.736 160 HD13 LEU 27 HD13 LEU 27 9.435 -2.240 5.333 161 HD21 LEU 27 HD21 LEU 27 7.995 -5.267 5.823 162 HD22 LEU 27 HD22 LEU 27 9.584 -5.693 5.191 163 HD23 LEU 27 HD23 LEU 27 8.139 -6.021 4.236 164 HA PRO 28 HA PRO 28 2.237 -2.560 4.145 165 HB2 PRO 28 HB2 PRO 28 1.222 -3.621 6.413 166 HB3 PRO 28 HB3 PRO 28 1.296 -4.523 4.895 167 HG2 PRO 28 HG3 PRO 28 3.124 -4.644 7.261 168 HG3 PRO 28 HG2 PRO 28 2.473 -5.971 6.282 169 HD2 PRO 28 HD3 PRO 28 4.990 -4.982 5.966 170 HD3 PRO 28 HD2 PRO 28 4.057 -5.704 4.641 171 H VAL 29 H VAL 29 4.299 -0.974 4.859 172 HA VAL 29 HA VAL 29 3.883 0.026 7.543 173 HB VAL 29 HB VAL 29 5.688 1.125 5.385 174 HG11 VAL 29 HG11 VAL 29 5.168 2.721 7.173 175 HG12 VAL 29 HG12 VAL 29 6.863 2.236 7.201 176 HG13 VAL 29 HG13 VAL 29 5.732 1.554 8.370 177 HG21 VAL 29 HG21 VAL 29 7.390 -0.250 6.053 178 HG22 VAL 29 HG22 VAL 29 6.011 -1.321 6.302 179 HG23 VAL 29 HG23 VAL 29 6.726 -0.470 7.673 Start of MODEL 10 1 H1 CYS 1 H CYS 1 3.177 0.801 4.280 2 HA CYS 1 HA CYS 1 2.406 3.496 4.546 3 HB2 CYS 1 HB3 CYS 1 0.925 1.669 2.705 4 HB3 CYS 1 HB2 CYS 1 1.551 3.290 2.409 5 H GLY 2 H GLY 2 0.643 0.462 4.939 6 HA2 GLY 2 HA3 GLY 2 -1.171 -0.040 6.264 7 HA3 GLY 2 HA2 GLY 2 -1.116 1.600 6.882 8 H GLU 3 H GLU 3 -1.365 2.853 4.295 9 HA GLU 3 HA GLU 3 -4.108 3.175 4.166 10 HB2 GLU 3 HB3 GLU 3 -3.744 4.392 2.093 11 HB3 GLU 3 HB2 GLU 3 -2.512 4.803 3.278 12 HG2 GLU 3 HG3 GLU 3 -0.901 3.411 2.155 13 HG3 GLU 3 HG2 GLU 3 -2.133 2.841 1.029 14 H THR 4 H THR 4 -5.724 2.432 2.923 15 HA THR 4 HA THR 4 -5.357 -0.185 1.726 16 HB THR 4 HB THR 4 -7.852 1.470 2.205 17 HG1 THR 4 HG1 THR 4 -6.360 -0.232 3.781 18 HG21 THR 4 HG21 THR 4 -9.060 -0.674 1.874 19 HG22 THR 4 HG22 THR 4 -7.545 -1.409 1.350 20 HG23 THR 4 HG23 THR 4 -8.260 -0.096 0.413 21 H CYS 5 H CYS 5 -4.900 -0.343 -0.385 22 HA CYS 5 HA CYS 5 -5.494 1.881 -2.156 23 HB2 CYS 5 HB3 CYS 5 -4.163 0.629 -3.822 24 HB3 CYS 5 HB2 CYS 5 -3.279 0.908 -2.328 25 H PHE 6 H PHE 6 -7.816 1.155 -1.489 26 HA PHE 6 HA PHE 6 -9.113 -1.037 -2.545 27 HB2 PHE 6 HB3 PHE 6 -10.142 0.590 -1.002 28 HB3 PHE 6 HB2 PHE 6 -10.194 1.780 -2.297 29 HD1 PHE 6 HD1 PHE 6 -11.144 -1.825 -2.040 30 HD2 PHE 6 HD2 PHE 6 -12.337 2.143 -3.007 31 HE1 PHE 6 HE1 PHE 6 -13.360 -2.659 -2.713 32 HE2 PHE 6 HE2 PHE 6 -14.555 1.318 -3.680 33 HZ PHE 6 HZ PHE 6 -15.068 -1.086 -3.534 34 H GLY 7 H GLY 7 -8.526 2.098 -4.121 35 HA2 GLY 7 HA3 GLY 7 -9.611 1.042 -6.623 36 HA3 GLY 7 HA2 GLY 7 -9.174 2.715 -6.309 37 H GLY 8 H GLY 8 -6.987 0.156 -5.445 38 HA2 GLY 8 HA3 GLY 8 -4.920 -0.435 -6.239 39 HA3 GLY 8 HA2 GLY 8 -5.546 -0.084 -7.841 40 H THR 9 H THR 9 -5.173 2.182 -5.159 41 HA THR 9 HA THR 9 -2.938 3.471 -6.547 42 HB THR 9 HB THR 9 -5.158 5.158 -5.427 43 HG1 THR 9 HG1 THR 9 -5.269 3.606 -7.677 44 HG21 THR 9 HG21 THR 9 -4.210 6.894 -6.674 45 HG22 THR 9 HG22 THR 9 -3.347 5.783 -7.738 46 HG23 THR 9 HG23 THR 9 -2.811 6.006 -6.073 47 H CYS 10 H CYS 10 -1.619 4.738 -5.173 48 HA CYS 10 HA CYS 10 -2.181 4.551 -2.300 49 HB2 CYS 10 HB3 CYS 10 0.509 3.966 -3.561 50 HB3 CYS 10 HB2 CYS 10 0.136 3.935 -1.840 51 H ASN 11 H ASN 11 -1.551 6.270 -1.108 52 HA ASN 11 HA ASN 11 -0.867 8.688 -2.577 53 HB2 ASN 11 HB3 ASN 11 -1.634 8.239 0.316 54 HB3 ASN 11 HB2 ASN 11 -1.387 9.814 -0.428 55 HD21 ASN 11 HD22 ASN 11 -3.528 7.210 0.065 56 HD22 ASN 11 HD21 ASN 11 -4.865 7.847 -0.829 57 H THR 12 H THR 12 0.728 6.316 -0.759 58 HA THR 12 HA THR 12 2.875 8.147 0.033 59 HB THR 12 HB THR 12 2.697 5.212 0.697 60 HG1 THR 12 HG1 THR 12 0.785 6.106 1.457 61 HG21 THR 12 HG21 THR 12 4.598 5.620 1.779 62 HG22 THR 12 HG22 THR 12 3.758 6.799 2.787 63 HG23 THR 12 HG23 THR 12 4.537 7.314 1.291 64 HA PRO 13 HA PRO 13 5.193 6.903 -3.574 65 HB2 PRO 13 HB2 PRO 13 7.579 7.977 -2.746 66 HB3 PRO 13 HB3 PRO 13 6.284 8.910 -3.501 67 HG2 PRO 13 HG3 PRO 13 6.973 8.622 -0.606 68 HG3 PRO 13 HG2 PRO 13 6.477 10.070 -1.503 69 HD2 PRO 13 HD3 PRO 13 4.764 8.710 0.067 70 HD3 PRO 13 HD2 PRO 13 4.238 9.499 -1.434 71 H GLY 14 H GLY 14 6.286 5.088 -4.044 72 HA2 GLY 14 HA3 GLY 14 7.908 3.419 -3.754 73 HA3 GLY 14 HA2 GLY 14 8.071 3.897 -2.070 74 H CYS 15 H CYS 15 4.922 3.856 -2.267 75 HA CYS 15 HA CYS 15 4.727 1.142 -1.259 76 HB2 CYS 15 HB3 CYS 15 2.763 3.438 -1.334 77 HB3 CYS 15 HB2 CYS 15 2.384 1.850 -0.677 78 H SER 16 H SER 16 3.793 -0.503 -2.270 79 HA SER 16 HA SER 16 2.617 -0.023 -4.920 80 HB2 SER 16 HB3 SER 16 3.886 -2.569 -3.875 81 HB3 SER 16 HB2 SER 16 3.379 -2.240 -5.532 82 HG SER 16 HG SER 16 5.201 -0.482 -4.360 83 H CYS 17 H CYS 17 0.598 -0.840 -5.333 84 HA CYS 17 HA CYS 17 -1.043 -1.401 -3.110 85 HB2 CYS 17 HB3 CYS 17 -1.902 -0.315 -5.133 86 HB3 CYS 17 HB2 CYS 17 -1.646 -1.802 -6.041 87 H THR 18 H THR 18 -1.424 -3.173 -2.096 88 HA THR 18 HA THR 18 -1.112 -5.771 -3.437 89 HB THR 18 HB THR 18 -0.459 -5.349 -0.514 90 HG1 THR 18 HG1 THR 18 0.993 -4.547 -2.657 91 HG21 THR 18 HG21 THR 18 -0.910 -7.643 -1.228 92 HG22 THR 18 HG22 THR 18 0.793 -7.448 -0.812 93 HG23 THR 18 HG23 THR 18 0.299 -7.496 -2.504 94 H TRP 19 H TRP 19 -3.380 -4.869 -3.690 95 HA TRP 19 HA TRP 19 -5.354 -4.321 -2.117 96 HB2 TRP 19 HB3 TRP 19 -5.269 -5.388 -4.595 97 HB3 TRP 19 HB2 TRP 19 -6.057 -6.700 -3.723 98 HD1 TRP 19 HD1 TRP 19 -6.692 -3.270 -5.142 99 HE1 TRP 19 HE1 TRP 19 -9.154 -2.616 -4.760 100 HE3 TRP 19 HE3 TRP 19 -8.030 -7.022 -1.946 101 HZ2 TRP 19 HZ2 TRP 19 -11.368 -3.573 -3.285 102 HZ3 TRP 19 HZ3 TRP 19 -10.325 -7.075 -1.080 103 HH2 TRP 19 HH2 TRP 19 -11.967 -5.388 -1.740 104 HA PRO 20 HA PRO 20 -6.730 -4.060 -1.099 105 HB2 PRO 20 HB2 PRO 20 -8.097 -3.904 1.168 106 HB3 PRO 20 HB3 PRO 20 -8.619 -4.984 -0.128 107 HG2 PRO 20 HG3 PRO 20 -7.311 -5.628 2.458 108 HG3 PRO 20 HG2 PRO 20 -8.443 -6.593 1.498 109 HD2 PRO 20 HD3 PRO 20 -5.590 -6.787 1.559 110 HD3 PRO 20 HD2 PRO 20 -6.717 -7.700 0.537 111 H ILE 21 H ILE 21 -3.939 -4.503 0.067 112 HA ILE 21 HA ILE 21 -3.943 -2.068 1.690 113 HB ILE 21 HB ILE 21 -2.344 -3.025 3.294 114 HG12 ILE 21 HG13 ILE 21 -2.952 -5.679 1.965 115 HG13 ILE 21 HG12 ILE 21 -1.437 -4.798 1.803 116 HG21 ILE 21 HG21 ILE 21 -4.548 -3.018 4.081 117 HG22 ILE 21 HG22 ILE 21 -3.984 -4.660 4.387 118 HG23 ILE 21 HG23 ILE 21 -5.034 -4.331 3.006 119 HD11 ILE 21 HD11 ILE 21 -1.750 -6.759 3.541 120 HD12 ILE 21 HD12 ILE 21 -2.366 -5.444 4.541 121 HD13 ILE 21 HD13 ILE 21 -0.731 -5.362 3.884 122 H CYS 22 H CYS 22 -2.256 -0.732 1.318 123 HA CYS 22 HA CYS 22 -0.476 -1.457 -0.863 124 HB2 CYS 22 HB3 CYS 22 -1.626 0.812 -0.580 125 HB3 CYS 22 HB2 CYS 22 -0.392 1.149 0.623 126 H THR 23 H THR 23 1.686 -1.632 -0.747 127 HA THR 23 HA THR 23 2.952 -1.559 1.909 128 HB THR 23 HB THR 23 4.135 -3.678 1.378 129 HG1 THR 23 HG1 THR 23 2.244 -4.347 -0.571 130 HG21 THR 23 HG21 THR 23 2.533 -4.951 2.351 131 HG22 THR 23 HG22 THR 23 1.307 -4.497 1.167 132 HG23 THR 23 HG23 THR 23 1.696 -3.406 2.497 133 H ARG 24 H ARG 24 4.913 -0.579 1.891 134 HA ARG 24 HA ARG 24 6.064 0.097 -0.692 135 HB2 ARG 24 HB3 ARG 24 7.493 1.621 0.524 136 HB3 ARG 24 HB2 ARG 24 5.825 1.891 0.978 137 HG2 ARG 24 HG3 ARG 24 6.137 0.927 3.096 138 HG3 ARG 24 HG2 ARG 24 7.671 0.194 2.625 139 HD2 ARG 24 HD3 ARG 24 7.060 3.077 3.202 140 HD3 ARG 24 HD2 ARG 24 8.282 2.041 3.937 141 HE ARG 24 HE ARG 24 8.661 3.700 1.724 142 HH11 ARG 24 HH11 ARG 24 9.444 0.424 2.723 143 HH12 ARG 24 HH12 ARG 24 10.745 0.261 1.578 144 HH21 ARG 24 HH22 ARG 24 10.426 3.462 0.259 145 HH22 ARG 24 HH21 ARG 24 11.290 1.953 0.207 146 H ASP 25 H ASP 25 7.644 -1.056 -1.531 147 HA ASP 25 HA ASP 25 9.234 -2.651 -1.820 148 HB2 ASP 25 HB3 ASP 25 10.040 -1.742 0.951 149 HB3 ASP 25 HB2 ASP 25 10.970 -2.895 0.004 150 H GLY 26 H GLY 26 6.641 -3.391 -0.784 151 HA2 GLY 26 HA3 GLY 26 5.659 -5.431 -0.316 152 HA3 GLY 26 HA2 GLY 26 7.255 -6.095 -0.009 153 H LEU 27 H LEU 27 6.852 -3.265 1.740 154 HA LEU 27 HA LEU 27 6.198 -4.823 4.148 155 HB2 LEU 27 HB3 LEU 27 7.652 -2.188 3.896 156 HB3 LEU 27 HB2 LEU 27 7.335 -3.034 5.398 157 HG LEU 27 HG LEU 27 9.069 -4.073 3.156 158 HD11 LEU 27 HD11 LEU 27 10.943 -3.581 4.571 159 HD12 LEU 27 HD12 LEU 27 9.877 -3.022 5.861 160 HD13 LEU 27 HD13 LEU 27 9.996 -2.109 4.356 161 HD21 LEU 27 HD21 LEU 27 9.394 -5.984 4.342 162 HD22 LEU 27 HD22 LEU 27 7.756 -5.616 4.882 163 HD23 LEU 27 HD23 LEU 27 9.135 -5.195 5.898 164 HA PRO 28 HA PRO 28 2.374 -2.531 4.233 165 HB2 PRO 28 HB2 PRO 28 1.936 -3.732 6.854 166 HB3 PRO 28 HB3 PRO 28 1.077 -4.023 5.340 167 HG2 PRO 28 HG3 PRO 28 2.696 -5.869 6.487 168 HG3 PRO 28 HG2 PRO 28 2.459 -5.752 4.734 169 HD2 PRO 28 HD3 PRO 28 4.731 -4.751 6.413 170 HD3 PRO 28 HD2 PRO 28 4.771 -5.558 4.830 171 H VAL 29 H VAL 29 4.449 -0.923 4.836 172 HA VAL 29 HA VAL 29 4.130 0.133 7.512 173 HB VAL 29 HB VAL 29 5.852 1.180 5.261 174 HG11 VAL 29 HG11 VAL 29 6.006 2.943 6.640 175 HG12 VAL 29 HG12 VAL 29 7.079 1.902 7.577 176 HG13 VAL 29 HG13 VAL 29 5.379 2.045 8.023 177 HG21 VAL 29 HG21 VAL 29 7.280 -0.114 7.408 178 HG22 VAL 29 HG22 VAL 29 7.357 -0.405 5.671 179 HG23 VAL 29 HG23 VAL 29 6.136 -1.219 6.649 Start of MODEL 11 1 H1 CYS 1 H CYS 1 3.122 0.851 4.392 2 HA CYS 1 HA CYS 1 2.851 3.639 4.514 3 HB2 CYS 1 HB3 CYS 1 0.998 1.946 2.877 4 HB3 CYS 1 HB2 CYS 1 1.794 3.460 2.449 5 H GLY 2 H GLY 2 0.704 1.023 5.436 6 HA2 GLY 2 HA3 GLY 2 -1.177 0.988 6.745 7 HA3 GLY 2 HA2 GLY 2 -0.735 2.601 7.274 8 H GLU 3 H GLU 3 -1.577 1.467 4.022 9 HA GLU 3 HA GLU 3 -4.080 2.948 4.175 10 HB2 GLU 3 HB3 GLU 3 -3.665 4.171 2.124 11 HB3 GLU 3 HB2 GLU 3 -2.414 4.545 3.299 12 HG2 GLU 3 HG3 GLU 3 -0.798 3.326 2.147 13 HG3 GLU 3 HG2 GLU 3 -2.003 2.435 1.217 14 H THR 4 H THR 4 -5.668 2.217 2.836 15 HA THR 4 HA THR 4 -5.165 -0.369 1.585 16 HB THR 4 HB THR 4 -7.747 -0.338 1.449 17 HG1 THR 4 HG1 THR 4 -8.539 1.089 3.249 18 HG21 THR 4 HG21 THR 4 -6.624 -0.268 4.242 19 HG22 THR 4 HG22 THR 4 -6.280 -1.585 3.119 20 HG23 THR 4 HG23 THR 4 -7.941 -1.261 3.616 21 H CYS 5 H CYS 5 -4.730 -0.360 -0.542 22 HA CYS 5 HA CYS 5 -5.559 1.901 -2.161 23 HB2 CYS 5 HB3 CYS 5 -4.154 0.877 -3.926 24 HB3 CYS 5 HB2 CYS 5 -3.274 1.171 -2.432 25 H PHE 6 H PHE 6 -7.836 0.918 -1.578 26 HA PHE 6 HA PHE 6 -8.828 -1.300 -2.965 27 HB2 PHE 6 HB3 PHE 6 -10.091 1.174 -1.848 28 HB3 PHE 6 HB2 PHE 6 -11.050 0.106 -2.864 29 HD1 PHE 6 HD2 PHE 6 -8.516 -0.529 -0.190 30 HD2 PHE 6 HD1 PHE 6 -12.498 -1.098 -1.575 31 HE1 PHE 6 HE2 PHE 6 -8.983 -1.962 1.752 32 HE2 PHE 6 HE1 PHE 6 -12.972 -2.532 0.367 33 HZ PHE 6 HZ PHE 6 -11.213 -2.967 2.033 34 H GLY 7 H GLY 7 -8.363 2.030 -3.981 35 HA2 GLY 7 HA3 GLY 7 -9.625 1.536 -6.554 36 HA3 GLY 7 HA2 GLY 7 -8.946 3.058 -6.002 37 H GLY 8 H GLY 8 -6.931 0.318 -5.570 38 HA2 GLY 8 HA3 GLY 8 -5.132 -0.511 -6.757 39 HA3 GLY 8 HA2 GLY 8 -5.693 0.380 -8.161 40 H THR 9 H THR 9 -5.679 2.945 -6.702 41 HA THR 9 HA THR 9 -2.862 3.530 -7.079 42 HB THR 9 HB THR 9 -4.914 5.566 -6.284 43 HG1 THR 9 HG1 THR 9 -5.093 3.951 -8.423 44 HG21 THR 9 HG21 THR 9 -3.555 7.081 -7.490 45 HG22 THR 9 HG22 THR 9 -2.680 5.776 -8.292 46 HG23 THR 9 HG23 THR 9 -2.437 6.074 -6.571 47 H CYS 10 H CYS 10 -1.569 4.565 -5.538 48 HA CYS 10 HA CYS 10 -2.444 4.215 -2.754 49 HB2 CYS 10 HB3 CYS 10 0.357 4.097 -3.895 50 HB3 CYS 10 HB2 CYS 10 -0.048 3.962 -2.186 51 H ASN 11 H ASN 11 -1.844 5.782 -1.243 52 HA ASN 11 HA ASN 11 -1.703 8.465 -2.350 53 HB2 ASN 11 HB3 ASN 11 -2.111 7.439 0.465 54 HB3 ASN 11 HB2 ASN 11 -2.119 9.143 0.022 55 HD21 ASN 11 HD22 ASN 11 -3.864 6.192 0.058 56 HD22 ASN 11 HD21 ASN 11 -5.351 6.817 -0.573 57 H THR 12 H THR 12 0.324 6.219 -0.614 58 HA THR 12 HA THR 12 2.301 8.342 -0.176 59 HB THR 12 HB THR 12 3.489 6.569 1.203 60 HG1 THR 12 HG1 THR 12 0.993 5.245 0.750 61 HG21 THR 12 HG21 THR 12 0.719 7.421 2.054 62 HG22 THR 12 HG22 THR 12 2.196 8.372 2.221 63 HG23 THR 12 HG23 THR 12 2.004 6.874 3.132 64 HA PRO 13 HA PRO 13 4.596 6.947 -3.703 65 HB2 PRO 13 HB2 PRO 13 6.801 8.509 -2.543 66 HB3 PRO 13 HB3 PRO 13 5.949 8.739 -4.072 67 HG2 PRO 13 HG3 PRO 13 5.626 10.424 -2.003 68 HG3 PRO 13 HG2 PRO 13 4.298 10.031 -3.110 69 HD2 PRO 13 HD3 PRO 13 4.850 8.975 -0.361 70 HD3 PRO 13 HD2 PRO 13 3.305 9.457 -1.093 71 H GLY 14 H GLY 14 6.017 5.323 -4.111 72 HA2 GLY 14 HA3 GLY 14 7.915 3.980 -3.687 73 HA3 GLY 14 HA2 GLY 14 7.856 4.472 -1.999 74 H CYS 15 H CYS 15 4.855 3.983 -2.173 75 HA CYS 15 HA CYS 15 4.997 1.198 -1.383 76 HB2 CYS 15 HB3 CYS 15 2.780 3.249 -1.233 77 HB3 CYS 15 HB2 CYS 15 2.638 1.594 -0.648 78 H SER 16 H SER 16 4.028 -0.463 -2.409 79 HA SER 16 HA SER 16 2.899 0.085 -5.067 80 HB2 SER 16 HB3 SER 16 4.115 -2.493 -4.037 81 HB3 SER 16 HB2 SER 16 3.648 -2.134 -5.700 82 HG SER 16 HG SER 16 5.413 -0.345 -4.550 83 H CYS 17 H CYS 17 0.850 -0.591 -5.501 84 HA CYS 17 HA CYS 17 -0.823 -1.239 -3.334 85 HB2 CYS 17 HB3 CYS 17 -1.627 -0.028 -5.317 86 HB3 CYS 17 HB2 CYS 17 -1.429 -1.490 -6.280 87 H THR 18 H THR 18 -1.305 -3.033 -2.432 88 HA THR 18 HA THR 18 -1.017 -5.582 -3.865 89 HB THR 18 HB THR 18 -0.448 -5.302 -0.910 90 HG1 THR 18 HG1 THR 18 1.063 -4.341 -2.904 91 HG21 THR 18 HG21 THR 18 1.000 -7.319 -2.421 92 HG22 THR 18 HG22 THR 18 -0.747 -7.492 -2.591 93 HG23 THR 18 HG23 THR 18 -0.013 -7.498 -0.988 94 H TRP 19 H TRP 19 -3.265 -4.708 -4.172 95 HA TRP 19 HA TRP 19 -5.274 -4.134 -2.655 96 HB2 TRP 19 HB3 TRP 19 -5.148 -5.233 -5.118 97 HB3 TRP 19 HB2 TRP 19 -5.970 -6.523 -4.245 98 HD1 TRP 19 HD1 TRP 19 -6.529 -3.088 -5.698 99 HE1 TRP 19 HE1 TRP 19 -8.990 -2.399 -5.367 100 HE3 TRP 19 HE3 TRP 19 -7.993 -6.819 -2.527 101 HZ2 TRP 19 HZ2 TRP 19 -11.247 -3.318 -3.939 102 HZ3 TRP 19 HZ3 TRP 19 -10.307 -6.834 -1.710 103 HH2 TRP 19 HH2 TRP 19 -11.907 -5.122 -2.407 104 HA PRO 20 HA PRO 20 -6.682 -3.856 -1.687 105 HB2 PRO 20 HB2 PRO 20 -8.107 -3.656 0.537 106 HB3 PRO 20 HB3 PRO 20 -8.592 -4.768 -0.748 107 HG2 PRO 20 HG3 PRO 20 -7.336 -5.349 1.881 108 HG3 PRO 20 HG2 PRO 20 -8.459 -6.332 0.929 109 HD2 PRO 20 HD3 PRO 20 -5.613 -6.549 1.040 110 HD3 PRO 20 HD2 PRO 20 -6.728 -7.464 0.007 111 H ILE 21 H ILE 21 -3.926 -4.329 -0.368 112 HA ILE 21 HA ILE 21 -3.956 -1.832 1.164 113 HB ILE 21 HB ILE 21 -2.453 -2.763 2.868 114 HG12 ILE 21 HG13 ILE 21 -3.035 -5.447 1.589 115 HG13 ILE 21 HG12 ILE 21 -1.502 -4.590 1.473 116 HG21 ILE 21 HG21 ILE 21 -5.142 -4.053 2.494 117 HG22 ILE 21 HG22 ILE 21 -4.697 -2.704 3.543 118 HG23 ILE 21 HG23 ILE 21 -4.162 -4.339 3.935 119 HD11 ILE 21 HD11 ILE 21 -1.752 -4.671 4.132 120 HD12 ILE 21 HD12 ILE 21 -0.979 -5.947 3.192 121 HD13 ILE 21 HD13 ILE 21 -2.656 -6.125 3.708 122 H CYS 22 H CYS 22 -2.194 -0.558 0.883 123 HA CYS 22 HA CYS 22 -0.349 -1.325 -1.225 124 HB2 CYS 22 HB3 CYS 22 -1.470 0.988 -0.895 125 HB3 CYS 22 HB2 CYS 22 -0.188 1.264 0.272 126 H THR 23 H THR 23 1.833 -1.497 -1.010 127 HA THR 23 HA THR 23 2.951 -1.513 1.709 128 HB THR 23 HB THR 23 4.093 -3.666 1.210 129 HG1 THR 23 HG1 THR 23 2.271 -4.277 -0.814 130 HG21 THR 23 HG21 THR 23 2.408 -4.896 2.098 131 HG22 THR 23 HG22 THR 23 1.250 -4.386 0.870 132 HG23 THR 23 HG23 THR 23 1.620 -3.324 2.230 133 H ARG 24 H ARG 24 4.928 -0.576 1.801 134 HA ARG 24 HA ARG 24 6.277 0.013 -0.714 135 HB2 ARG 24 HB3 ARG 24 7.651 1.539 0.556 136 HB3 ARG 24 HB2 ARG 24 5.968 1.854 0.920 137 HG2 ARG 24 HG3 ARG 24 6.151 0.951 3.070 138 HG3 ARG 24 HG2 ARG 24 7.667 0.129 2.691 139 HD2 ARG 24 HD3 ARG 24 7.193 3.076 3.092 140 HD3 ARG 24 HD2 ARG 24 8.244 2.005 4.019 141 HE ARG 24 HE ARG 24 8.951 3.445 1.708 142 HH11 ARG 24 HH11 ARG 24 9.490 0.317 3.209 143 HH12 ARG 24 HH12 ARG 24 10.906 -0.028 2.259 144 HH21 ARG 24 HH22 ARG 24 10.849 2.969 0.490 145 HH22 ARG 24 HH21 ARG 24 11.652 1.445 0.726 146 H ASP 25 H ASP 25 7.950 -1.171 -1.376 147 HA ASP 25 HA ASP 25 9.556 -2.781 -1.462 148 HB2 ASP 25 HB3 ASP 25 9.958 -2.044 1.451 149 HB3 ASP 25 HB2 ASP 25 11.056 -3.037 0.503 150 H GLY 26 H GLY 26 6.788 -3.425 -0.714 151 HA2 GLY 26 HA3 GLY 26 5.676 -5.427 -0.396 152 HA3 GLY 26 HA2 GLY 26 7.210 -6.177 0.022 153 H LEU 27 H LEU 27 6.695 -3.349 1.788 154 HA LEU 27 HA LEU 27 5.737 -4.928 4.084 155 HB2 LEU 27 HB3 LEU 27 7.506 -2.481 4.062 156 HB3 LEU 27 HB2 LEU 27 6.937 -3.302 5.502 157 HG LEU 27 HG LEU 27 8.752 -4.516 3.416 158 HD11 LEU 27 HD11 LEU 27 10.449 -4.384 5.226 159 HD12 LEU 27 HD12 LEU 27 9.318 -3.400 6.156 160 HD13 LEU 27 HD13 LEU 27 9.936 -2.812 4.612 161 HD21 LEU 27 HD21 LEU 27 8.790 -5.861 5.921 162 HD22 LEU 27 HD22 LEU 27 8.304 -6.482 4.343 163 HD23 LEU 27 HD23 LEU 27 7.113 -5.714 5.394 164 HA PRO 28 HA PRO 28 2.230 -2.178 3.916 165 HB2 PRO 28 HB2 PRO 28 0.896 -3.197 6.027 166 HB3 PRO 28 HB3 PRO 28 1.008 -4.050 4.482 167 HG2 PRO 28 HG3 PRO 28 2.574 -4.469 6.998 168 HG3 PRO 28 HG2 PRO 28 1.877 -5.673 5.900 169 HD2 PRO 28 HD3 PRO 28 4.512 -4.954 5.875 170 HD3 PRO 28 HD2 PRO 28 3.645 -5.550 4.446 171 H VAL 29 H VAL 29 4.405 -0.897 4.884 172 HA VAL 29 HA VAL 29 3.879 0.033 7.578 173 HB VAL 29 HB VAL 29 5.981 1.027 5.648 174 HG11 VAL 29 HG11 VAL 29 6.498 1.074 8.534 175 HG12 VAL 29 HG12 VAL 29 5.201 2.142 7.999 176 HG13 VAL 29 HG13 VAL 29 6.813 2.295 7.302 177 HG21 VAL 29 HG21 VAL 29 5.867 -1.527 6.470 178 HG22 VAL 29 HG22 VAL 29 6.746 -0.815 7.822 179 HG23 VAL 29 HG23 VAL 29 7.379 -0.665 6.183 Start of MODEL 12 1 H1 CYS 1 H CYS 1 3.428 2.141 3.948 2 HA CYS 1 HA CYS 1 2.468 4.792 4.484 3 HB2 CYS 1 HB3 CYS 1 1.448 2.736 2.510 4 HB3 CYS 1 HB2 CYS 1 1.024 4.445 2.532 5 H GLY 2 H GLY 2 1.288 1.513 4.891 6 HA2 GLY 2 HA3 GLY 2 -0.409 0.632 6.148 7 HA3 GLY 2 HA2 GLY 2 -0.334 2.111 7.090 8 H GLU 3 H GLU 3 -1.119 1.921 3.668 9 HA GLU 3 HA GLU 3 -3.835 2.826 4.334 10 HB2 GLU 3 HB3 GLU 3 -3.829 3.983 2.145 11 HB3 GLU 3 HB2 GLU 3 -2.602 4.594 3.248 12 HG2 GLU 3 HG3 GLU 3 -0.869 3.516 2.071 13 HG3 GLU 3 HG2 GLU 3 -2.009 2.545 1.139 14 H THR 4 H THR 4 -5.553 2.039 3.118 15 HA THR 4 HA THR 4 -5.068 -0.585 1.954 16 HB THR 4 HB THR 4 -7.587 -0.735 2.009 17 HG1 THR 4 HG1 THR 4 -7.715 1.701 2.085 18 HG21 THR 4 HG21 THR 4 -5.807 -1.214 3.975 19 HG22 THR 4 HG22 THR 4 -7.538 -1.508 4.142 20 HG23 THR 4 HG23 THR 4 -6.831 -0.023 4.778 21 H CYS 5 H CYS 5 -4.846 -0.773 -0.203 22 HA CYS 5 HA CYS 5 -5.819 1.355 -1.929 23 HB2 CYS 5 HB3 CYS 5 -4.644 0.087 -3.743 24 HB3 CYS 5 HB2 CYS 5 -3.599 0.630 -2.437 25 H PHE 6 H PHE 6 -8.004 0.533 -1.065 26 HA PHE 6 HA PHE 6 -9.205 -1.807 -1.962 27 HB2 PHE 6 HB3 PHE 6 -10.213 -0.248 -0.322 28 HB3 PHE 6 HB2 PHE 6 -10.497 0.912 -1.614 29 HD1 PHE 6 HD2 PHE 6 -11.099 -2.755 -1.222 30 HD2 PHE 6 HD1 PHE 6 -12.716 1.075 -2.129 31 HE1 PHE 6 HE2 PHE 6 -13.290 -3.787 -1.658 32 HE2 PHE 6 HE1 PHE 6 -14.909 0.051 -2.565 33 HZ PHE 6 HZ PHE 6 -15.199 -2.384 -2.331 34 H GLY 7 H GLY 7 -8.841 1.319 -3.569 35 HA2 GLY 7 HA3 GLY 7 -10.175 0.310 -5.961 36 HA3 GLY 7 HA2 GLY 7 -9.640 1.961 -5.689 37 H GLY 8 H GLY 8 -7.437 -0.629 -5.005 38 HA2 GLY 8 HA3 GLY 8 -5.624 -1.467 -6.156 39 HA3 GLY 8 HA2 GLY 8 -6.253 -0.728 -7.616 40 H THR 9 H THR 9 -6.301 1.970 -6.567 41 HA THR 9 HA THR 9 -3.481 2.560 -6.930 42 HB THR 9 HB THR 9 -5.586 4.655 -6.550 43 HG1 THR 9 HG1 THR 9 -5.683 2.703 -8.390 44 HG21 THR 9 HG21 THR 9 -3.440 4.680 -8.623 45 HG22 THR 9 HG22 THR 9 -3.004 4.974 -6.939 46 HG23 THR 9 HG23 THR 9 -4.169 6.025 -7.745 47 H CYS 10 H CYS 10 -2.250 3.814 -5.540 48 HA CYS 10 HA CYS 10 -3.184 3.902 -2.755 49 HB2 CYS 10 HB3 CYS 10 -0.328 3.891 -3.771 50 HB3 CYS 10 HB2 CYS 10 -0.831 3.838 -2.085 51 H ASN 11 H ASN 11 -2.619 5.749 -1.499 52 HA ASN 11 HA ASN 11 -2.683 8.206 -3.056 53 HB2 ASN 11 HB3 ASN 11 -4.224 7.959 -1.169 54 HB3 ASN 11 HB2 ASN 11 -2.871 7.705 -0.073 55 HD21 ASN 11 HD22 ASN 11 -2.243 9.405 1.028 56 HD22 ASN 11 HD21 ASN 11 -2.489 11.056 0.585 57 H THR 12 H THR 12 -0.516 6.382 -1.034 58 HA THR 12 HA THR 12 1.451 8.560 -1.077 59 HB THR 12 HB THR 12 1.730 5.947 0.390 60 HG1 THR 12 HG1 THR 12 -0.172 6.759 1.170 61 HG21 THR 12 HG21 THR 12 3.749 6.997 0.575 62 HG22 THR 12 HG22 THR 12 2.917 7.723 1.950 63 HG23 THR 12 HG23 THR 12 3.051 8.610 0.431 64 HA PRO 13 HA PRO 13 3.396 6.326 -4.446 65 HB2 PRO 13 HB2 PRO 13 5.459 8.400 -4.241 66 HB3 PRO 13 HB3 PRO 13 4.369 8.040 -5.583 67 HG2 PRO 13 HG3 PRO 13 4.119 10.269 -4.080 68 HG3 PRO 13 HG2 PRO 13 2.723 9.443 -4.796 69 HD2 PRO 13 HD3 PRO 13 3.745 9.347 -1.981 70 HD3 PRO 13 HD2 PRO 13 2.070 9.437 -2.570 71 H GLY 14 H GLY 14 4.891 4.770 -4.441 72 HA2 GLY 14 HA3 GLY 14 7.178 4.113 -3.873 73 HA3 GLY 14 HA2 GLY 14 6.885 4.796 -2.278 74 H CYS 15 H CYS 15 4.168 3.787 -2.141 75 HA CYS 15 HA CYS 15 4.826 1.065 -1.328 76 HB2 CYS 15 HB3 CYS 15 2.514 2.903 -0.775 77 HB3 CYS 15 HB2 CYS 15 2.393 1.178 -0.442 78 H SER 16 H SER 16 4.177 -0.708 -2.341 79 HA SER 16 HA SER 16 2.738 -0.408 -4.847 80 HB2 SER 16 HB3 SER 16 3.977 -2.894 -3.632 81 HB3 SER 16 HB2 SER 16 3.459 -2.679 -5.306 82 HG SER 16 HG SER 16 5.739 -2.403 -5.000 83 H CYS 17 H CYS 17 0.684 -1.160 -5.182 84 HA CYS 17 HA CYS 17 -0.916 -1.617 -2.901 85 HB2 CYS 17 HB3 CYS 17 -1.905 -0.587 -4.843 86 HB3 CYS 17 HB2 CYS 17 -1.554 -2.006 -5.824 87 H THR 18 H THR 18 -1.008 -3.315 -1.776 88 HA THR 18 HA THR 18 -0.781 -5.971 -3.022 89 HB THR 18 HB THR 18 -0.147 -5.423 -0.123 90 HG1 THR 18 HG1 THR 18 1.184 -4.323 -2.052 91 HG21 THR 18 HG21 THR 18 0.125 -7.666 -2.019 92 HG22 THR 18 HG22 THR 18 -0.105 -7.683 -0.270 93 HG23 THR 18 HG23 THR 18 1.502 -7.409 -0.946 94 H TRP 19 H TRP 19 -3.058 -5.266 -3.348 95 HA TRP 19 HA TRP 19 -5.052 -4.614 -1.855 96 HB2 TRP 19 HB3 TRP 19 -4.955 -5.943 -4.180 97 HB3 TRP 19 HB2 TRP 19 -5.632 -7.208 -3.160 98 HD1 TRP 19 HD1 TRP 19 -6.551 -4.032 -4.946 99 HE1 TRP 19 HE1 TRP 19 -9.043 -3.503 -4.560 100 HE3 TRP 19 HE3 TRP 19 -7.539 -7.430 -1.261 101 HZ2 TRP 19 HZ2 TRP 19 -11.144 -4.411 -2.909 102 HZ3 TRP 19 HZ3 TRP 19 -9.804 -7.530 -0.321 103 HH2 TRP 19 HH2 TRP 19 -11.574 -6.053 -1.131 104 HA PRO 20 HA PRO 20 -6.376 -4.248 -0.855 105 HB2 PRO 20 HB2 PRO 20 -7.758 -3.857 1.364 106 HB3 PRO 20 HB3 PRO 20 -8.232 -5.120 0.227 107 HG2 PRO 20 HG3 PRO 20 -6.901 -5.360 2.871 108 HG3 PRO 20 HG2 PRO 20 -8.005 -6.483 2.060 109 HD2 PRO 20 HD3 PRO 20 -5.144 -6.571 2.118 110 HD3 PRO 20 HD2 PRO 20 -6.247 -7.652 1.241 111 H ILE 21 H ILE 21 -3.559 -4.448 0.355 112 HA ILE 21 HA ILE 21 -3.650 -1.831 1.668 113 HB ILE 21 HB ILE 21 -2.044 -2.554 3.402 114 HG12 ILE 21 HG13 ILE 21 -2.668 -5.358 2.447 115 HG13 ILE 21 HG12 ILE 21 -1.144 -4.522 2.178 116 HG21 ILE 21 HG21 ILE 21 -4.722 -3.923 3.293 117 HG22 ILE 21 HG22 ILE 21 -4.294 -2.414 4.105 118 HG23 ILE 21 HG23 ILE 21 -3.691 -3.951 4.727 119 HD11 ILE 21 HD11 ILE 21 -2.267 -5.119 4.901 120 HD12 ILE 21 HD12 ILE 21 -0.655 -4.518 4.510 121 HD13 ILE 21 HD13 ILE 21 -1.122 -6.157 4.050 122 H CYS 22 H CYS 22 -2.017 -0.502 1.163 123 HA CYS 22 HA CYS 22 -0.120 -1.340 -0.870 124 HB2 CYS 22 HB3 CYS 22 -0.320 1.341 0.502 125 HB3 CYS 22 HB2 CYS 22 0.527 0.984 -0.993 126 H THR 23 H THR 23 1.945 -1.818 -0.575 127 HA THR 23 HA THR 23 3.303 -1.078 1.904 128 HB THR 23 HB THR 23 4.244 -3.365 2.114 129 HG1 THR 23 HG1 THR 23 2.192 -4.232 0.353 130 HG21 THR 23 HG21 THR 23 1.732 -4.389 2.559 131 HG22 THR 23 HG22 THR 23 1.469 -2.647 2.647 132 HG23 THR 23 HG23 THR 23 2.660 -3.414 3.699 133 H ARG 24 H ARG 24 5.470 -0.599 1.558 134 HA ARG 24 HA ARG 24 6.368 -0.861 -1.202 135 HB2 ARG 24 HB3 ARG 24 8.038 0.756 -0.708 136 HB3 ARG 24 HB2 ARG 24 6.526 1.368 -0.078 137 HG2 ARG 24 HG3 ARG 24 7.190 1.075 2.127 138 HG3 ARG 24 HG2 ARG 24 8.450 -0.084 1.695 139 HD2 ARG 24 HD3 ARG 24 8.443 2.900 1.287 140 HD3 ARG 24 HD2 ARG 24 9.566 1.935 2.244 141 HE ARG 24 HE ARG 24 9.795 2.543 -0.501 142 HH11 ARG 24 HH11 ARG 24 10.401 -0.072 1.763 143 HH12 ARG 24 HH12 ARG 24 11.498 -0.898 0.696 144 HH21 ARG 24 HH22 ARG 24 11.272 1.433 -1.877 145 HH22 ARG 24 HH21 ARG 24 11.969 -0.071 -1.346 146 H ASP 25 H ASP 25 7.660 -2.464 -1.734 147 HA ASP 25 HA ASP 25 9.010 -4.293 -1.609 148 HB2 ASP 25 HB3 ASP 25 10.212 -2.781 0.728 149 HB3 ASP 25 HB2 ASP 25 10.927 -4.202 -0.023 150 H GLY 26 H GLY 26 6.476 -4.220 -0.165 151 HA2 GLY 26 HA3 GLY 26 5.314 -5.858 0.999 152 HA3 GLY 26 HA2 GLY 26 6.845 -6.609 1.421 153 H LEU 27 H LEU 27 7.130 -3.396 2.152 154 HA LEU 27 HA LEU 27 6.566 -3.937 4.975 155 HB2 LEU 27 HB3 LEU 27 8.142 -1.704 3.694 156 HB3 LEU 27 HB2 LEU 27 7.957 -1.956 5.419 157 HG LEU 27 HG LEU 27 9.331 -3.868 3.527 158 HD11 LEU 27 HD11 LEU 27 10.552 -1.754 3.839 159 HD12 LEU 27 HD12 LEU 27 11.392 -3.130 4.554 160 HD13 LEU 27 HD13 LEU 27 10.506 -2.004 5.584 161 HD21 LEU 27 HD21 LEU 27 9.422 -3.908 6.526 162 HD22 LEU 27 HD22 LEU 27 9.879 -5.175 5.387 163 HD23 LEU 27 HD23 LEU 27 8.179 -4.776 5.626 164 HA PRO 28 HA PRO 28 2.980 -1.303 4.600 165 HB2 PRO 28 HB2 PRO 28 2.086 -1.629 7.118 166 HB3 PRO 28 HB3 PRO 28 1.952 -2.909 5.906 167 HG2 PRO 28 HG3 PRO 28 3.936 -2.593 8.120 168 HG3 PRO 28 HG2 PRO 28 3.120 -4.058 7.546 169 HD2 PRO 28 HD3 PRO 28 5.689 -3.357 6.869 170 HD3 PRO 28 HD2 PRO 28 4.647 -4.397 5.879 171 H VAL 29 H VAL 29 4.812 0.396 4.457 172 HA VAL 29 HA VAL 29 5.253 1.885 6.889 173 HB VAL 29 HB VAL 29 6.089 2.572 4.070 174 HG11 VAL 29 HG11 VAL 29 7.154 3.609 6.694 175 HG12 VAL 29 HG12 VAL 29 6.041 4.482 5.640 176 HG13 VAL 29 HG13 VAL 29 7.667 4.094 5.078 177 HG21 VAL 29 HG21 VAL 29 8.376 1.827 5.243 178 HG22 VAL 29 HG22 VAL 29 7.346 0.709 4.349 179 HG23 VAL 29 HG23 VAL 29 7.255 0.776 6.109 Start of MODEL 13 1 H1 CYS 1 H CYS 1 3.345 1.438 4.141 2 HA CYS 1 HA CYS 1 2.527 4.105 4.726 3 HB2 CYS 1 HB3 CYS 1 1.624 2.189 2.569 4 HB3 CYS 1 HB2 CYS 1 1.140 3.880 2.661 5 H GLY 2 H GLY 2 0.976 0.947 4.859 6 HA2 GLY 2 HA3 GLY 2 -0.779 0.239 6.172 7 HA3 GLY 2 HA2 GLY 2 -0.850 1.847 6.868 8 H GLU 3 H GLU 3 -1.212 3.156 4.279 9 HA GLU 3 HA GLU 3 -3.963 3.327 4.207 10 HB2 GLU 3 HB3 GLU 3 -3.717 4.526 2.103 11 HB3 GLU 3 HB2 GLU 3 -2.484 5.024 3.252 12 HG2 GLU 3 HG3 GLU 3 -0.819 3.730 2.118 13 HG3 GLU 3 HG2 GLU 3 -2.034 3.027 1.050 14 H THR 4 H THR 4 -5.576 2.430 3.086 15 HA THR 4 HA THR 4 -5.060 -0.145 1.860 16 HB THR 4 HB THR 4 -7.575 -0.289 1.841 17 HG1 THR 4 HG1 THR 4 -7.684 2.158 1.919 18 HG21 THR 4 HG21 THR 4 -6.095 0.233 4.410 19 HG22 THR 4 HG22 THR 4 -6.513 -1.318 3.682 20 HG23 THR 4 HG23 THR 4 -7.774 -0.307 4.385 21 H CYS 5 H CYS 5 -4.843 -0.361 -0.288 22 HA CYS 5 HA CYS 5 -5.661 1.825 -2.018 23 HB2 CYS 5 HB3 CYS 5 -4.466 0.582 -3.797 24 HB3 CYS 5 HB2 CYS 5 -3.450 0.946 -2.410 25 H PHE 6 H PHE 6 -7.906 1.099 -1.210 26 HA PHE 6 HA PHE 6 -9.224 -1.152 -2.129 27 HB2 PHE 6 HB3 PHE 6 -10.182 0.472 -0.539 28 HB3 PHE 6 HB2 PHE 6 -10.342 1.647 -1.838 29 HD1 PHE 6 HD2 PHE 6 -11.216 -1.966 -1.456 30 HD2 PHE 6 HD1 PHE 6 -12.525 1.964 -2.433 31 HE1 PHE 6 HE2 PHE 6 -13.458 -2.842 -1.961 32 HE2 PHE 6 HE1 PHE 6 -14.770 1.094 -2.938 33 HZ PHE 6 HZ PHE 6 -15.239 -1.311 -2.704 34 H GLY 7 H GLY 7 -8.745 1.955 -3.782 35 HA2 GLY 7 HA3 GLY 7 -10.038 0.911 -6.183 36 HA3 GLY 7 HA2 GLY 7 -9.506 2.564 -5.928 37 H GLY 8 H GLY 8 -7.323 -0.010 -5.160 38 HA2 GLY 8 HA3 GLY 8 -5.357 -0.706 -6.111 39 HA3 GLY 8 HA2 GLY 8 -6.109 -0.390 -7.667 40 H THR 9 H THR 9 -5.380 1.928 -5.091 41 HA THR 9 HA THR 9 -3.180 3.042 -6.639 42 HB THR 9 HB THR 9 -5.340 4.925 -5.732 43 HG1 THR 9 HG1 THR 9 -5.440 3.185 -7.864 44 HG21 THR 9 HG21 THR 9 -4.262 6.508 -7.013 45 HG22 THR 9 HG22 THR 9 -3.561 5.307 -8.098 46 HG23 THR 9 HG23 THR 9 -2.900 5.525 -6.477 47 H CYS 10 H CYS 10 -1.808 4.357 -5.390 48 HA CYS 10 HA CYS 10 -2.362 4.388 -2.502 49 HB2 CYS 10 HB3 CYS 10 0.355 3.961 -3.769 50 HB3 CYS 10 HB2 CYS 10 -0.018 3.932 -2.049 51 H ASN 11 H ASN 11 -1.754 6.198 -1.392 52 HA ASN 11 HA ASN 11 -1.333 8.581 -3.007 53 HB2 ASN 11 HB3 ASN 11 -1.845 8.215 -0.044 54 HB3 ASN 11 HB2 ASN 11 -1.747 9.771 -0.862 55 HD21 ASN 11 HD22 ASN 11 -3.672 7.027 -0.165 56 HD22 ASN 11 HD21 ASN 11 -5.117 7.574 -0.948 57 H THR 12 H THR 12 0.418 6.461 -0.941 58 HA THR 12 HA THR 12 2.617 8.381 -0.662 59 HB THR 12 HB THR 12 2.475 5.638 0.577 60 HG1 THR 12 HG1 THR 12 0.615 6.679 1.263 61 HG21 THR 12 HG21 THR 12 3.972 6.593 2.222 62 HG22 THR 12 HG22 THR 12 3.848 8.177 1.457 63 HG23 THR 12 HG23 THR 12 4.630 6.845 0.606 64 HA PRO 13 HA PRO 13 4.571 6.307 -4.120 65 HB2 PRO 13 HB2 PRO 13 6.874 7.982 -3.368 66 HB3 PRO 13 HB3 PRO 13 5.969 7.938 -4.884 67 HG2 PRO 13 HG3 PRO 13 5.770 10.006 -3.183 68 HG3 PRO 13 HG2 PRO 13 4.385 9.443 -4.136 69 HD2 PRO 13 HD3 PRO 13 5.034 8.940 -1.255 70 HD3 PRO 13 HD2 PRO 13 3.467 9.306 -2.010 71 H GLY 14 H GLY 14 5.905 4.586 -4.276 72 HA2 GLY 14 HA3 GLY 14 7.876 3.378 -3.651 73 HA3 GLY 14 HA2 GLY 14 7.704 4.023 -2.024 74 H CYS 15 H CYS 15 4.797 3.546 -2.026 75 HA CYS 15 HA CYS 15 4.939 0.741 -1.278 76 HB2 CYS 15 HB3 CYS 15 2.982 2.945 -0.744 77 HB3 CYS 15 HB2 CYS 15 2.488 1.267 -0.550 78 H SER 16 H SER 16 4.122 -0.862 -2.392 79 HA SER 16 HA SER 16 2.746 -0.279 -4.897 80 HB2 SER 16 HB3 SER 16 3.836 -2.910 -3.858 81 HB3 SER 16 HB2 SER 16 3.278 -2.579 -5.499 82 HG SER 16 HG SER 16 5.654 -2.463 -4.988 83 H CYS 17 H CYS 17 0.656 -0.929 -5.283 84 HA CYS 17 HA CYS 17 -0.989 -1.342 -3.031 85 HB2 CYS 17 HB3 CYS 17 -1.891 -0.237 -4.978 86 HB3 CYS 17 HB2 CYS 17 -1.605 -1.663 -5.968 87 H THR 18 H THR 18 -1.206 -3.056 -1.926 88 HA THR 18 HA THR 18 -1.108 -5.700 -3.219 89 HB THR 18 HB THR 18 -0.434 -5.240 -0.313 90 HG1 THR 18 HG1 THR 18 0.953 -4.214 -2.266 91 HG21 THR 18 HG21 THR 18 -0.076 -7.436 -2.314 92 HG22 THR 18 HG22 THR 18 -0.689 -7.515 -0.663 93 HG23 THR 18 HG23 THR 18 1.039 -7.311 -0.953 94 H TRP 19 H TRP 19 -3.359 -4.930 -3.523 95 HA TRP 19 HA TRP 19 -5.310 -4.203 -1.996 96 HB2 TRP 19 HB3 TRP 19 -5.280 -5.545 -4.329 97 HB3 TRP 19 HB2 TRP 19 -6.032 -6.756 -3.295 98 HD1 TRP 19 HD1 TRP 19 -6.735 -3.501 -5.062 99 HE1 TRP 19 HE1 TRP 19 -9.194 -2.827 -4.691 100 HE3 TRP 19 HE3 TRP 19 -7.969 -6.899 -1.450 101 HZ2 TRP 19 HZ2 TRP 19 -11.365 -3.635 -3.076 102 HZ3 TRP 19 HZ3 TRP 19 -10.246 -6.876 -0.536 103 HH2 TRP 19 HH2 TRP 19 -11.915 -5.279 -1.334 104 HA PRO 20 HA PRO 20 -6.625 -3.808 -0.990 105 HB2 PRO 20 HB2 PRO 20 -7.971 -3.377 1.245 106 HB3 PRO 20 HB3 PRO 20 -8.496 -4.618 0.105 107 HG2 PRO 20 HG3 PRO 20 -7.153 -4.918 2.736 108 HG3 PRO 20 HG2 PRO 20 -8.296 -6.001 1.927 109 HD2 PRO 20 HD3 PRO 20 -5.440 -6.177 1.965 110 HD3 PRO 20 HD2 PRO 20 -6.581 -7.220 1.090 111 H ILE 21 H ILE 21 -3.801 -4.135 0.304 112 HA ILE 21 HA ILE 21 -3.810 -1.462 1.485 113 HB ILE 21 HB ILE 21 -2.404 -2.052 3.352 114 HG12 ILE 21 HG13 ILE 21 -1.327 -4.053 2.182 115 HG13 ILE 21 HG12 ILE 21 -1.651 -4.223 3.902 116 HG21 ILE 21 HG21 ILE 21 -4.984 -3.538 3.088 117 HG22 ILE 21 HG22 ILE 21 -4.613 -2.086 4.020 118 HG23 ILE 21 HG23 ILE 21 -4.027 -3.656 4.567 119 HD11 ILE 21 HD11 ILE 21 -2.175 -6.191 2.360 120 HD12 ILE 21 HD12 ILE 21 -3.576 -5.248 1.852 121 HD13 ILE 21 HD13 ILE 21 -3.396 -5.719 3.543 122 H CYS 22 H CYS 22 -2.004 -0.269 1.149 123 HA CYS 22 HA CYS 22 -0.199 -1.188 -0.920 124 HB2 CYS 22 HB3 CYS 22 -0.212 1.425 0.589 125 HB3 CYS 22 HB2 CYS 22 0.717 1.076 -0.857 126 H THR 23 H THR 23 1.841 -1.825 -0.693 127 HA THR 23 HA THR 23 3.161 -1.510 1.914 128 HB THR 23 HB THR 23 4.043 -3.790 1.772 129 HG1 THR 23 HG1 THR 23 2.222 -4.479 -0.256 130 HG21 THR 23 HG21 THR 23 1.291 -3.130 2.231 131 HG22 THR 23 HG22 THR 23 2.297 -4.329 3.044 132 HG23 THR 23 HG23 THR 23 1.411 -4.765 1.582 133 H ARG 24 H ARG 24 5.274 -0.868 1.751 134 HA ARG 24 HA ARG 24 6.362 -0.630 -0.937 135 HB2 ARG 24 HB3 ARG 24 8.032 0.818 0.029 136 HB3 ARG 24 HB2 ARG 24 6.439 1.364 0.511 137 HG2 ARG 24 HG3 ARG 24 6.743 0.640 2.719 138 HG3 ARG 24 HG2 ARG 24 8.126 -0.369 2.287 139 HD2 ARG 24 HD3 ARG 24 7.973 2.621 2.520 140 HD3 ARG 24 HD2 ARG 24 9.074 1.506 3.327 141 HE ARG 24 HE ARG 24 9.563 2.824 0.919 142 HH11 ARG 24 HH11 ARG 24 9.912 -0.407 2.260 143 HH12 ARG 24 HH12 ARG 24 11.103 -0.889 1.086 144 HH21 ARG 24 HH22 ARG 24 11.177 2.158 -0.585 145 HH22 ARG 24 HH21 ARG 24 11.801 0.537 -0.501 146 H ASP 25 H ASP 25 7.668 -2.129 -1.672 147 HA ASP 25 HA ASP 25 9.003 -3.964 -1.808 148 HB2 ASP 25 HB3 ASP 25 10.148 -2.799 0.742 149 HB3 ASP 25 HB2 ASP 25 10.845 -4.177 -0.100 150 H GLY 26 H GLY 26 6.427 -4.152 -0.496 151 HA2 GLY 26 HA3 GLY 26 5.253 -5.992 0.307 152 HA3 GLY 26 HA2 GLY 26 6.779 -6.754 0.724 153 H LEU 27 H LEU 27 6.957 -3.718 1.972 154 HA LEU 27 HA LEU 27 6.145 -4.695 4.614 155 HB2 LEU 27 HB3 LEU 27 7.835 -2.310 3.855 156 HB3 LEU 27 HB2 LEU 27 7.502 -2.842 5.492 157 HG LEU 27 HG LEU 27 9.029 -4.433 3.428 158 HD11 LEU 27 HD11 LEU 27 10.125 -2.335 4.330 159 HD12 LEU 27 HD12 LEU 27 11.007 -3.845 4.562 160 HD13 LEU 27 HD13 LEU 27 10.117 -3.128 5.906 161 HD21 LEU 27 HD21 LEU 27 9.000 -6.174 4.826 162 HD22 LEU 27 HD22 LEU 27 7.661 -5.359 5.633 163 HD23 LEU 27 HD23 LEU 27 9.307 -5.157 6.232 164 HA PRO 28 HA PRO 28 2.588 -2.000 4.326 165 HB2 PRO 28 HB2 PRO 28 1.958 -2.870 7.027 166 HB3 PRO 28 HB3 PRO 28 1.121 -3.248 5.520 167 HG2 PRO 28 HG3 PRO 28 2.518 -5.094 6.947 168 HG3 PRO 28 HG2 PRO 28 2.313 -5.175 5.188 169 HD2 PRO 28 HD3 PRO 28 4.660 -4.209 6.782 170 HD3 PRO 28 HD2 PRO 28 4.631 -5.207 5.310 171 H VAL 29 H VAL 29 4.583 -0.413 4.641 172 HA VAL 29 HA VAL 29 4.674 0.767 7.274 173 HB VAL 29 HB VAL 29 6.028 1.684 4.735 174 HG11 VAL 29 HG11 VAL 29 7.403 3.065 6.081 175 HG12 VAL 29 HG12 VAL 29 6.783 2.351 7.570 176 HG13 VAL 29 HG13 VAL 29 5.742 3.377 6.584 177 HG21 VAL 29 HG21 VAL 29 7.174 0.047 6.993 178 HG22 VAL 29 HG22 VAL 29 8.011 0.561 5.529 179 HG23 VAL 29 HG23 VAL 29 6.684 -0.598 5.425 Start of MODEL 14 1 H1 CYS 1 H CYS 1 3.056 0.968 4.467 2 HA CYS 1 HA CYS 1 2.461 3.716 4.524 3 HB2 CYS 1 HB3 CYS 1 0.945 1.784 2.798 4 HB3 CYS 1 HB2 CYS 1 1.521 3.403 2.408 5 H GLY 2 H GLY 2 0.544 0.851 5.247 6 HA2 GLY 2 HA3 GLY 2 -1.299 0.634 6.620 7 HA3 GLY 2 HA2 GLY 2 -1.233 2.363 6.918 8 H GLU 3 H GLU 3 -1.375 3.168 4.196 9 HA GLU 3 HA GLU 3 -4.134 3.380 3.860 10 HB2 GLU 3 HB3 GLU 3 -3.607 4.312 1.640 11 HB3 GLU 3 HB2 GLU 3 -2.608 5.001 2.912 12 HG2 GLU 3 HG3 GLU 3 -0.713 3.804 2.223 13 HG3 GLU 3 HG2 GLU 3 -1.668 2.715 1.215 14 H THR 4 H THR 4 -5.606 2.404 2.583 15 HA THR 4 HA THR 4 -4.906 -0.237 1.569 16 HB THR 4 HB THR 4 -7.454 -0.412 1.336 17 HG1 THR 4 HG1 THR 4 -8.238 1.272 3.113 18 HG21 THR 4 HG21 THR 4 -7.726 -0.544 3.904 19 HG22 THR 4 HG22 THR 4 -6.012 -0.128 3.953 20 HG23 THR 4 HG23 THR 4 -6.541 -1.596 3.130 21 H CYS 5 H CYS 5 -4.633 -0.556 -0.581 22 HA CYS 5 HA CYS 5 -5.241 1.641 -2.373 23 HB2 CYS 5 HB3 CYS 5 -4.021 0.309 -4.075 24 HB3 CYS 5 HB2 CYS 5 -3.065 0.637 -2.635 25 H PHE 6 H PHE 6 -7.560 1.001 -1.643 26 HA PHE 6 HA PHE 6 -8.913 -1.172 -2.743 27 HB2 PHE 6 HB3 PHE 6 -9.871 0.366 -1.059 28 HB3 PHE 6 HB2 PHE 6 -9.955 1.635 -2.276 29 HD1 PHE 6 HD2 PHE 6 -10.952 -1.966 -2.166 30 HD2 PHE 6 HD1 PHE 6 -12.103 2.059 -2.924 31 HE1 PHE 6 HE2 PHE 6 -13.202 -2.733 -2.798 32 HE2 PHE 6 HE1 PHE 6 -14.357 1.301 -3.555 33 HZ PHE 6 HZ PHE 6 -14.908 -1.098 -3.494 34 H GLY 7 H GLY 7 -8.121 1.979 -4.107 35 HA2 GLY 7 HA3 GLY 7 -9.423 1.307 -6.629 36 HA3 GLY 7 HA2 GLY 7 -8.693 2.850 -6.214 37 H GLY 8 H GLY 8 -6.889 -0.045 -5.606 38 HA2 GLY 8 HA3 GLY 8 -5.144 -1.054 -6.728 39 HA3 GLY 8 HA2 GLY 8 -5.581 -0.140 -8.159 40 H THR 9 H THR 9 -5.311 2.465 -6.956 41 HA THR 9 HA THR 9 -2.420 2.644 -7.096 42 HB THR 9 HB THR 9 -3.693 4.183 -8.466 43 HG1 THR 9 HG1 THR 9 -2.601 5.824 -6.450 44 HG21 THR 9 HG21 THR 9 -5.315 4.452 -6.159 45 HG22 THR 9 HG22 THR 9 -5.567 5.151 -7.758 46 HG23 THR 9 HG23 THR 9 -4.654 6.043 -6.541 47 H CYS 10 H CYS 10 -1.302 4.177 -5.692 48 HA CYS 10 HA CYS 10 -2.323 4.153 -2.931 49 HB2 CYS 10 HB3 CYS 10 0.552 3.689 -3.766 50 HB3 CYS 10 HB2 CYS 10 -0.049 3.737 -2.111 51 H ASN 11 H ASN 11 -1.639 5.899 -1.625 52 HA ASN 11 HA ASN 11 -1.207 8.340 -3.147 53 HB2 ASN 11 HB3 ASN 11 -2.976 8.258 -1.443 54 HB3 ASN 11 HB2 ASN 11 -1.778 7.898 -0.206 55 HD21 ASN 11 HD22 ASN 11 -1.088 9.550 0.931 56 HD22 ASN 11 HD21 ASN 11 -1.130 11.207 0.450 57 H THR 12 H THR 12 0.570 6.202 -1.105 58 HA THR 12 HA THR 12 2.670 8.198 -0.671 59 HB THR 12 HB THR 12 2.555 5.393 0.434 60 HG1 THR 12 HG1 THR 12 0.708 6.380 1.168 61 HG21 THR 12 HG21 THR 12 4.570 5.960 1.200 62 HG22 THR 12 HG22 THR 12 3.752 7.116 2.250 63 HG23 THR 12 HG23 THR 12 4.373 7.635 0.683 64 HA PRO 13 HA PRO 13 4.991 6.480 -4.087 65 HB2 PRO 13 HB2 PRO 13 7.211 8.008 -2.884 66 HB3 PRO 13 HB3 PRO 13 6.501 8.142 -4.495 67 HG2 PRO 13 HG3 PRO 13 6.103 10.026 -2.631 68 HG3 PRO 13 HG2 PRO 13 4.834 9.578 -3.787 69 HD2 PRO 13 HD3 PRO 13 5.150 8.785 -0.917 70 HD3 PRO 13 HD2 PRO 13 3.680 9.240 -1.805 71 H GLY 14 H GLY 14 6.225 4.681 -4.255 72 HA2 GLY 14 HA3 GLY 14 7.988 3.233 -3.637 73 HA3 GLY 14 HA2 GLY 14 7.954 3.921 -2.018 74 H CYS 15 H CYS 15 4.895 3.678 -2.294 75 HA CYS 15 HA CYS 15 4.767 1.026 -1.125 76 HB2 CYS 15 HB3 CYS 15 2.692 3.212 -1.416 77 HB3 CYS 15 HB2 CYS 15 2.408 1.676 -0.606 78 H SER 16 H SER 16 3.912 -0.712 -2.081 79 HA SER 16 HA SER 16 2.874 -0.407 -4.812 80 HB2 SER 16 HB3 SER 16 4.068 -2.875 -3.523 81 HB3 SER 16 HB2 SER 16 3.670 -2.657 -5.228 82 HG SER 16 HG SER 16 5.411 -0.816 -4.063 83 H CYS 17 H CYS 17 0.891 -1.251 -5.311 84 HA CYS 17 HA CYS 17 -0.894 -1.689 -3.172 85 HB2 CYS 17 HB3 CYS 17 -1.608 -0.712 -5.314 86 HB3 CYS 17 HB2 CYS 17 -1.325 -2.261 -6.104 87 H THR 18 H THR 18 -1.445 -3.394 -2.144 88 HA THR 18 HA THR 18 -1.042 -6.066 -3.286 89 HB THR 18 HB THR 18 -0.610 -5.484 -0.349 90 HG1 THR 18 HG1 THR 18 1.014 -4.794 -2.398 91 HG21 THR 18 HG21 THR 18 0.323 -7.628 -0.239 92 HG22 THR 18 HG22 THR 18 0.597 -7.701 -1.979 93 HG23 THR 18 HG23 THR 18 -1.041 -7.832 -1.338 94 H TRP 19 H TRP 19 -3.259 -5.069 -3.746 95 HA TRP 19 HA TRP 19 -5.319 -4.393 -2.365 96 HB2 TRP 19 HB3 TRP 19 -5.106 -5.574 -4.772 97 HB3 TRP 19 HB2 TRP 19 -5.987 -6.828 -3.904 98 HD1 TRP 19 HD1 TRP 19 -6.428 -3.440 -5.497 99 HE1 TRP 19 HE1 TRP 19 -8.894 -2.713 -5.315 100 HE3 TRP 19 HE3 TRP 19 -8.091 -7.030 -2.265 101 HZ2 TRP 19 HZ2 TRP 19 -11.231 -3.558 -3.970 102 HZ3 TRP 19 HZ3 TRP 19 -10.442 -6.995 -1.567 103 HH2 TRP 19 HH2 TRP 19 -11.986 -5.296 -2.406 104 HA PRO 20 HA PRO 20 -6.768 -4.034 -1.493 105 HB2 PRO 20 HB2 PRO 20 -8.305 -3.693 0.636 106 HB3 PRO 20 HB3 PRO 20 -8.755 -4.849 -0.620 107 HG2 PRO 20 HG3 PRO 20 -7.653 -5.341 2.096 108 HG3 PRO 20 HG2 PRO 20 -8.761 -6.332 1.134 109 HD2 PRO 20 HD3 PRO 20 -5.936 -6.640 1.399 110 HD3 PRO 20 HD2 PRO 20 -7.028 -7.559 0.345 111 H ILE 21 H ILE 21 -4.100 -4.515 -0.046 112 HA ILE 21 HA ILE 21 -4.135 -1.982 1.430 113 HB ILE 21 HB ILE 21 -2.689 -2.892 3.184 114 HG12 ILE 21 HG13 ILE 21 -3.197 -5.593 1.912 115 HG13 ILE 21 HG12 ILE 21 -1.674 -4.716 1.830 116 HG21 ILE 21 HG21 ILE 21 -4.944 -2.863 3.806 117 HG22 ILE 21 HG22 ILE 21 -4.414 -4.499 4.200 118 HG23 ILE 21 HG23 ILE 21 -5.354 -4.204 2.734 119 HD11 ILE 21 HD11 ILE 21 -2.575 -5.020 4.556 120 HD12 ILE 21 HD12 ILE 21 -1.044 -5.481 3.812 121 HD13 ILE 21 HD13 ILE 21 -2.426 -6.574 3.735 122 H CYS 22 H CYS 22 -2.328 -0.741 1.193 123 HA CYS 22 HA CYS 22 -0.462 -1.585 -0.881 124 HB2 CYS 22 HB3 CYS 22 -1.614 0.712 -0.749 125 HB3 CYS 22 HB2 CYS 22 -0.414 1.091 0.474 126 H THR 23 H THR 23 1.701 -1.729 -0.637 127 HA THR 23 HA THR 23 2.820 -1.545 2.079 128 HB THR 23 HB THR 23 4.033 -3.695 1.678 129 HG1 THR 23 HG1 THR 23 2.158 -4.475 -0.240 130 HG21 THR 23 HG21 THR 23 2.434 -4.494 3.012 131 HG22 THR 23 HG22 THR 23 1.496 -4.905 1.576 132 HG23 THR 23 HG23 THR 23 1.265 -3.344 2.363 133 H ARG 24 H ARG 24 4.756 -0.508 2.088 134 HA ARG 24 HA ARG 24 6.047 -0.021 -0.469 135 HB2 ARG 24 HB3 ARG 24 7.369 1.628 0.666 136 HB3 ARG 24 HB2 ARG 24 5.694 1.869 1.112 137 HG2 ARG 24 HG3 ARG 24 6.044 1.070 3.281 138 HG3 ARG 24 HG2 ARG 24 7.581 0.316 2.850 139 HD2 ARG 24 HD3 ARG 24 6.963 3.244 3.164 140 HD3 ARG 24 HD2 ARG 24 8.129 2.275 4.063 141 HE ARG 24 HE ARG 24 8.610 3.655 1.659 142 HH11 ARG 24 HH11 ARG 24 9.422 0.632 3.245 143 HH12 ARG 24 HH12 ARG 24 10.793 0.323 2.219 144 HH21 ARG 24 HH22 ARG 24 10.452 3.233 0.341 145 HH22 ARG 24 HH21 ARG 24 11.359 1.770 0.587 146 H ASP 25 H ASP 25 7.725 -1.164 -1.137 147 HA ASP 25 HA ASP 25 9.381 -2.722 -1.218 148 HB2 ASP 25 HB3 ASP 25 9.893 -1.804 1.626 149 HB3 ASP 25 HB2 ASP 25 10.989 -2.798 0.674 150 H GLY 26 H GLY 26 6.690 -3.448 -0.318 151 HA2 GLY 26 HA3 GLY 26 5.686 -5.474 0.162 152 HA3 GLY 26 HA2 GLY 26 7.267 -6.129 0.556 153 H LEU 27 H LEU 27 6.641 -3.216 2.158 154 HA LEU 27 HA LEU 27 5.911 -4.694 4.599 155 HB2 LEU 27 HB3 LEU 27 7.458 -2.115 4.327 156 HB3 LEU 27 HB2 LEU 27 7.036 -2.888 5.843 157 HG LEU 27 HG LEU 27 8.845 -4.079 3.737 158 HD11 LEU 27 HD11 LEU 27 9.362 -2.085 5.667 159 HD12 LEU 27 HD12 LEU 27 10.515 -2.936 4.638 160 HD13 LEU 27 HD13 LEU 27 10.120 -3.572 6.235 161 HD21 LEU 27 HD21 LEU 27 8.696 -5.059 6.539 162 HD22 LEU 27 HD22 LEU 27 9.085 -5.928 5.055 163 HD23 LEU 27 HD23 LEU 27 7.409 -5.521 5.426 164 HA PRO 28 HA PRO 28 2.176 -2.266 4.438 165 HB2 PRO 28 HB2 PRO 28 1.075 -3.176 6.726 166 HB3 PRO 28 HB3 PRO 28 1.161 -4.165 5.263 167 HG2 PRO 28 HG3 PRO 28 2.921 -4.203 7.685 168 HG3 PRO 28 HG2 PRO 28 2.257 -5.564 6.761 169 HD2 PRO 28 HD3 PRO 28 4.811 -4.652 6.466 170 HD3 PRO 28 HD2 PRO 28 3.900 -5.441 5.164 171 H VAL 29 H VAL 29 4.296 -0.735 5.127 172 HA VAL 29 HA VAL 29 3.854 0.420 7.744 173 HB VAL 29 HB VAL 29 5.766 1.327 5.588 174 HG11 VAL 29 HG11 VAL 29 5.956 3.099 6.944 175 HG12 VAL 29 HG12 VAL 29 6.869 2.012 7.990 176 HG13 VAL 29 HG13 VAL 29 5.151 2.281 8.283 177 HG21 VAL 29 HG21 VAL 29 7.152 -0.331 6.106 178 HG22 VAL 29 HG22 VAL 29 5.842 -1.057 7.038 179 HG23 VAL 29 HG23 VAL 29 7.003 0.008 7.831 Start of MODEL 15 1 H1 CYS 1 H CYS 1 3.232 1.526 4.202 2 HA CYS 1 HA CYS 1 2.288 4.169 4.783 3 HB2 CYS 1 HB3 CYS 1 1.477 2.192 2.641 4 HB3 CYS 1 HB2 CYS 1 0.875 3.845 2.746 5 H GLY 2 H GLY 2 0.971 0.906 4.943 6 HA2 GLY 2 HA3 GLY 2 -0.698 0.072 6.301 7 HA3 GLY 2 HA2 GLY 2 -0.894 1.679 6.979 8 H GLU 3 H GLU 3 -1.386 2.961 4.449 9 HA GLU 3 HA GLU 3 -4.138 2.901 4.343 10 HB2 GLU 3 HB3 GLU 3 -3.895 4.053 2.141 11 HB3 GLU 3 HB2 GLU 3 -2.942 4.760 3.439 12 HG2 GLU 3 HG3 GLU 3 -0.937 3.901 2.586 13 HG3 GLU 3 HG2 GLU 3 -1.777 2.780 1.514 14 H THR 4 H THR 4 -5.660 1.910 3.170 15 HA THR 4 HA THR 4 -4.926 -0.567 1.846 16 HB THR 4 HB THR 4 -7.431 -0.887 1.762 17 HG1 THR 4 HG1 THR 4 -7.745 1.516 1.974 18 HG21 THR 4 HG21 THR 4 -7.673 -1.216 4.222 19 HG22 THR 4 HG22 THR 4 -6.143 -0.367 4.444 20 HG23 THR 4 HG23 THR 4 -6.185 -1.894 3.563 21 H CYS 5 H CYS 5 -4.666 -0.643 -0.318 22 HA CYS 5 HA CYS 5 -5.573 1.596 -1.924 23 HB2 CYS 5 HB3 CYS 5 -4.296 0.501 -3.755 24 HB3 CYS 5 HB2 CYS 5 -3.319 0.844 -2.332 25 H PHE 6 H PHE 6 -7.790 0.723 -1.198 26 HA PHE 6 HA PHE 6 -8.981 -1.528 -2.305 27 HB2 PHE 6 HB3 PHE 6 -10.023 -0.089 -0.584 28 HB3 PHE 6 HB2 PHE 6 -10.251 1.173 -1.787 29 HD1 PHE 6 HD1 PHE 6 -10.924 -2.502 -1.668 30 HD2 PHE 6 HD2 PHE 6 -12.440 1.409 -2.391 31 HE1 PHE 6 HE1 PHE 6 -13.112 -3.462 -2.257 32 HE2 PHE 6 HE2 PHE 6 -14.629 0.456 -2.979 33 HZ PHE 6 HZ PHE 6 -14.969 -1.983 -2.912 34 H GLY 7 H GLY 7 -8.542 1.704 -3.667 35 HA2 GLY 7 HA3 GLY 7 -9.832 0.896 -6.156 36 HA3 GLY 7 HA2 GLY 7 -9.269 2.511 -5.752 37 H GLY 8 H GLY 8 -7.114 -0.137 -5.190 38 HA2 GLY 8 HA3 GLY 8 -5.286 -0.928 -6.356 39 HA3 GLY 8 HA2 GLY 8 -5.882 -0.100 -7.782 40 H THR 9 H THR 9 -5.944 2.521 -6.502 41 HA THR 9 HA THR 9 -3.130 3.148 -6.838 42 HB THR 9 HB THR 9 -5.250 5.188 -6.265 43 HG1 THR 9 HG1 THR 9 -5.335 3.408 -8.268 44 HG21 THR 9 HG21 THR 9 -3.146 5.466 -8.349 45 HG22 THR 9 HG22 THR 9 -2.644 5.523 -6.659 46 HG23 THR 9 HG23 THR 9 -3.830 6.678 -7.267 47 H CYS 10 H CYS 10 -1.904 4.322 -5.357 48 HA CYS 10 HA CYS 10 -2.851 4.234 -2.573 49 HB2 CYS 10 HB3 CYS 10 0.018 4.083 -3.541 50 HB3 CYS 10 HB2 CYS 10 -0.529 3.951 -1.873 51 H ASN 11 H ASN 11 -2.212 5.978 -1.213 52 HA ASN 11 HA ASN 11 -2.066 8.506 -2.645 53 HB2 ASN 11 HB3 ASN 11 -3.680 8.271 -0.824 54 HB3 ASN 11 HB2 ASN 11 -2.386 7.871 0.299 55 HD21 ASN 11 HD22 ASN 11 -1.614 9.462 1.474 56 HD22 ASN 11 HD21 ASN 11 -1.762 11.147 1.126 57 H THR 12 H THR 12 -0.069 6.455 -0.677 58 HA THR 12 HA THR 12 1.995 8.527 -0.496 59 HB THR 12 HB THR 12 2.024 5.796 0.786 60 HG1 THR 12 HG1 THR 12 0.201 6.806 1.571 61 HG21 THR 12 HG21 THR 12 3.761 8.140 0.813 62 HG22 THR 12 HG22 THR 12 4.095 6.477 1.292 63 HG23 THR 12 HG23 THR 12 3.317 7.583 2.426 64 HA PRO 13 HA PRO 13 4.044 6.590 -3.973 65 HB2 PRO 13 HB2 PRO 13 6.232 8.426 -3.274 66 HB3 PRO 13 HB3 PRO 13 5.286 8.327 -4.761 67 HG2 PRO 13 HG3 PRO 13 5.000 10.364 -3.032 68 HG3 PRO 13 HG2 PRO 13 3.632 9.720 -3.959 69 HD2 PRO 13 HD3 PRO 13 4.383 9.231 -1.100 70 HD3 PRO 13 HD2 PRO 13 2.778 9.504 -1.813 71 H GLY 14 H GLY 14 5.585 5.024 -4.190 72 HA2 GLY 14 HA3 GLY 14 7.650 3.987 -3.568 73 HA3 GLY 14 HA2 GLY 14 7.408 4.580 -1.930 74 H CYS 15 H CYS 15 4.566 3.834 -1.976 75 HA CYS 15 HA CYS 15 4.931 1.046 -1.251 76 HB2 CYS 15 HB3 CYS 15 2.822 3.108 -0.740 77 HB3 CYS 15 HB2 CYS 15 2.405 1.404 -0.597 78 H SER 16 H SER 16 4.003 -0.648 -2.237 79 HA SER 16 HA SER 16 2.792 -0.151 -4.858 80 HB2 SER 16 HB3 SER 16 3.963 -2.725 -3.767 81 HB3 SER 16 HB2 SER 16 3.510 -2.390 -5.440 82 HG SER 16 HG SER 16 5.254 -0.548 -4.453 83 H CYS 17 H CYS 17 0.789 -1.023 -5.355 84 HA CYS 17 HA CYS 17 -0.897 -1.523 -3.124 85 HB2 CYS 17 HB3 CYS 17 -1.732 -0.364 -5.108 86 HB3 CYS 17 HB2 CYS 17 -1.503 -1.825 -6.062 87 H THR 18 H THR 18 -1.019 -3.287 -2.093 88 HA THR 18 HA THR 18 -0.842 -5.865 -3.499 89 HB THR 18 HB THR 18 -0.197 -5.403 -0.571 90 HG1 THR 18 HG1 THR 18 1.566 -4.503 -1.383 91 HG21 THR 18 HG21 THR 18 0.765 -7.687 -2.254 92 HG22 THR 18 HG22 THR 18 -0.865 -7.715 -1.580 93 HG23 THR 18 HG23 THR 18 0.531 -7.607 -0.507 94 H TRP 19 H TRP 19 -3.079 -5.077 -3.851 95 HA TRP 19 HA TRP 19 -5.109 -4.472 -2.360 96 HB2 TRP 19 HB3 TRP 19 -4.964 -5.572 -4.798 97 HB3 TRP 19 HB2 TRP 19 -5.707 -6.914 -3.931 98 HD1 TRP 19 HD1 TRP 19 -6.470 -3.515 -5.372 99 HE1 TRP 19 HE1 TRP 19 -8.970 -2.980 -5.049 100 HE3 TRP 19 HE3 TRP 19 -7.711 -7.327 -2.204 101 HZ2 TRP 19 HZ2 TRP 19 -11.171 -4.042 -3.635 102 HZ3 TRP 19 HZ3 TRP 19 -10.023 -7.491 -1.400 103 HH2 TRP 19 HH2 TRP 19 -11.723 -5.883 -2.104 104 HA PRO 20 HA PRO 20 -6.543 -4.204 -1.439 105 HB2 PRO 20 HB2 PRO 20 -8.048 -3.994 0.728 106 HB3 PRO 20 HB3 PRO 20 -8.458 -5.153 -0.538 107 HG2 PRO 20 HG3 PRO 20 -7.271 -5.625 2.144 108 HG3 PRO 20 HG2 PRO 20 -8.334 -6.666 1.186 109 HD2 PRO 20 HD3 PRO 20 -5.485 -6.791 1.387 110 HD3 PRO 20 HD2 PRO 20 -6.542 -7.772 0.353 111 H ILE 21 H ILE 21 -3.815 -4.561 -0.077 112 HA ILE 21 HA ILE 21 -3.954 -2.070 1.460 113 HB ILE 21 HB ILE 21 -2.414 -2.945 3.160 114 HG12 ILE 21 HG13 ILE 21 -2.867 -5.641 1.857 115 HG13 ILE 21 HG12 ILE 21 -1.374 -4.715 1.758 116 HG21 ILE 21 HG21 ILE 21 -4.671 -2.992 3.813 117 HG22 ILE 21 HG22 ILE 21 -4.048 -4.591 4.221 118 HG23 ILE 21 HG23 ILE 21 -5.032 -4.372 2.772 119 HD11 ILE 21 HD11 ILE 21 -1.111 -4.897 4.182 120 HD12 ILE 21 HD12 ILE 21 -1.196 -6.478 3.406 121 HD13 ILE 21 HD13 ILE 21 -2.598 -5.840 4.265 122 H CYS 22 H CYS 22 -2.285 -0.703 1.156 123 HA CYS 22 HA CYS 22 -0.373 -1.380 -0.929 124 HB2 CYS 22 HB3 CYS 22 -1.654 0.866 -0.601 125 HB3 CYS 22 HB2 CYS 22 -0.358 1.233 0.520 126 H THR 23 H THR 23 1.738 -1.579 -0.684 127 HA THR 23 HA THR 23 2.994 -1.228 1.936 128 HB THR 23 HB THR 23 4.023 -3.567 1.645 129 HG1 THR 23 HG1 THR 23 2.470 -4.997 0.516 130 HG21 THR 23 HG21 THR 23 1.208 -4.120 2.193 131 HG22 THR 23 HG22 THR 23 1.823 -2.710 3.056 132 HG23 THR 23 HG23 THR 23 2.617 -4.273 3.244 133 H ARG 24 H ARG 24 5.104 -0.564 1.746 134 HA ARG 24 HA ARG 24 6.193 -0.438 -0.952 135 HB2 ARG 24 HB3 ARG 24 7.791 1.131 -0.093 136 HB3 ARG 24 HB2 ARG 24 6.199 1.615 0.449 137 HG2 ARG 24 HG3 ARG 24 6.639 0.992 2.657 138 HG3 ARG 24 HG2 ARG 24 8.031 0.008 2.194 139 HD2 ARG 24 HD3 ARG 24 7.802 3.009 2.244 140 HD3 ARG 24 HD2 ARG 24 8.910 1.986 3.157 141 HE ARG 24 HE ARG 24 9.360 3.055 0.594 142 HH11 ARG 24 HH11 ARG 24 9.921 0.117 2.431 143 HH12 ARG 24 HH12 ARG 24 11.161 -0.459 1.354 144 HH21 ARG 24 HH22 ARG 24 11.029 2.276 -0.791 145 HH22 ARG 24 HH21 ARG 24 11.766 0.737 -0.455 146 H ASP 25 H ASP 25 7.660 -1.848 -1.630 147 HA ASP 25 HA ASP 25 9.113 -3.604 -1.670 148 HB2 ASP 25 HB3 ASP 25 10.001 -2.480 1.004 149 HB3 ASP 25 HB2 ASP 25 10.883 -3.674 0.062 150 H GLY 26 H GLY 26 6.468 -3.892 -0.517 151 HA2 GLY 26 HA3 GLY 26 5.260 -5.681 0.303 152 HA3 GLY 26 HA2 GLY 26 6.775 -6.504 0.639 153 H LEU 27 H LEU 27 6.800 -3.412 1.960 154 HA LEU 27 HA LEU 27 6.183 -4.519 4.610 155 HB2 LEU 27 HB3 LEU 27 7.798 -2.079 3.866 156 HB3 LEU 27 HB2 LEU 27 7.531 -2.664 5.497 157 HG LEU 27 HG LEU 27 9.017 -4.165 3.338 158 HD11 LEU 27 HD11 LEU 27 11.016 -3.526 4.350 159 HD12 LEU 27 HD12 LEU 27 10.208 -2.972 5.816 160 HD13 LEU 27 HD13 LEU 27 10.065 -2.042 4.324 161 HD21 LEU 27 HD21 LEU 27 9.715 -5.263 5.731 162 HD22 LEU 27 HD22 LEU 27 8.500 -5.920 4.635 163 HD23 LEU 27 HD23 LEU 27 8.008 -4.900 5.987 164 HA PRO 28 HA PRO 28 2.583 -1.907 4.655 165 HB2 PRO 28 HB2 PRO 28 1.772 -2.489 7.157 166 HB3 PRO 28 HB3 PRO 28 1.625 -3.646 5.829 167 HG2 PRO 28 HG3 PRO 28 3.684 -3.498 7.994 168 HG3 PRO 28 HG2 PRO 28 2.863 -4.920 7.324 169 HD2 PRO 28 HD3 PRO 28 5.390 -4.149 6.613 170 HD3 PRO 28 HD2 PRO 28 4.305 -5.067 5.551 171 H VAL 29 H VAL 29 4.556 -0.241 4.702 172 HA VAL 29 HA VAL 29 4.816 1.085 7.255 173 HB VAL 29 HB VAL 29 5.918 1.909 4.566 174 HG11 VAL 29 HG11 VAL 29 7.531 2.853 6.660 175 HG12 VAL 29 HG12 VAL 29 5.867 3.229 7.110 176 HG13 VAL 29 HG13 VAL 29 6.514 3.797 5.571 177 HG21 VAL 29 HG21 VAL 29 6.617 -0.327 5.974 178 HG22 VAL 29 HG22 VAL 29 7.775 0.862 6.568 179 HG23 VAL 29 HG23 VAL 29 7.661 0.529 4.840 Start of MODEL 16 1 H1 CYS 1 H CYS 1 2.965 0.640 4.420 2 HA CYS 1 HA CYS 1 2.384 3.395 4.542 3 HB2 CYS 1 HB3 CYS 1 0.924 1.480 2.735 4 HB3 CYS 1 HB2 CYS 1 1.418 3.139 2.409 5 H GLY 2 H GLY 2 0.483 0.507 5.162 6 HA2 GLY 2 HA3 GLY 2 -1.362 0.207 6.498 7 HA3 GLY 2 HA2 GLY 2 -1.283 1.909 6.913 8 H GLU 3 H GLU 3 -1.480 2.882 4.231 9 HA GLU 3 HA GLU 3 -4.250 3.115 4.017 10 HB2 GLU 3 HB3 GLU 3 -3.864 4.287 1.943 11 HB3 GLU 3 HB2 GLU 3 -2.645 4.758 3.117 12 HG2 GLU 3 HG3 GLU 3 -0.985 3.443 2.045 13 HG3 GLU 3 HG2 GLU 3 -2.183 2.673 1.005 14 H THR 4 H THR 4 -5.784 2.171 2.833 15 HA THR 4 HA THR 4 -5.173 -0.411 1.654 16 HB THR 4 HB THR 4 -7.690 -0.564 1.483 17 HG1 THR 4 HG1 THR 4 -7.846 1.860 1.579 18 HG21 THR 4 HG21 THR 4 -6.820 0.104 4.287 19 HG22 THR 4 HG22 THR 4 -6.276 -1.355 3.459 20 HG23 THR 4 HG23 THR 4 -7.995 -1.102 3.761 21 H CYS 5 H CYS 5 -4.770 -0.554 -0.485 22 HA CYS 5 HA CYS 5 -5.494 1.667 -2.202 23 HB2 CYS 5 HB3 CYS 5 -4.131 0.516 -3.914 24 HB3 CYS 5 HB2 CYS 5 -3.245 0.806 -2.422 25 H PHE 6 H PHE 6 -7.818 0.793 -1.579 26 HA PHE 6 HA PHE 6 -8.891 -1.418 -2.921 27 HB2 PHE 6 HB3 PHE 6 -10.061 1.118 -1.841 28 HB3 PHE 6 HB2 PHE 6 -11.060 0.075 -2.845 29 HD1 PHE 6 HD2 PHE 6 -8.538 -0.680 -0.194 30 HD2 PHE 6 HD1 PHE 6 -12.572 -1.003 -1.508 31 HE1 PHE 6 HE2 PHE 6 -9.061 -2.072 1.765 32 HE2 PHE 6 HE1 PHE 6 -13.102 -2.394 0.449 33 HZ PHE 6 HZ PHE 6 -11.345 -2.931 2.088 34 H GLY 7 H GLY 7 -8.300 1.878 -3.972 35 HA2 GLY 7 HA3 GLY 7 -9.548 1.396 -6.556 36 HA3 GLY 7 HA2 GLY 7 -8.836 2.906 -6.007 37 H GLY 8 H GLY 8 -6.946 0.066 -5.556 38 HA2 GLY 8 HA3 GLY 8 -5.155 -0.825 -6.695 39 HA3 GLY 8 HA2 GLY 8 -5.649 0.084 -8.109 40 H THR 9 H THR 9 -5.517 2.671 -6.729 41 HA THR 9 HA THR 9 -2.655 3.044 -7.000 42 HB THR 9 HB THR 9 -4.109 4.589 -8.180 43 HG1 THR 9 HG1 THR 9 -3.081 6.286 -6.233 44 HG21 THR 9 HG21 THR 9 -5.375 4.845 -5.543 45 HG22 THR 9 HG22 THR 9 -6.063 5.050 -7.155 46 HG23 THR 9 HG23 THR 9 -5.150 6.364 -6.411 47 H CYS 10 H CYS 10 -1.568 4.563 -5.539 48 HA CYS 10 HA CYS 10 -2.455 4.325 -2.746 49 HB2 CYS 10 HB3 CYS 10 0.374 3.877 -3.731 50 HB3 CYS 10 HB2 CYS 10 -0.135 3.885 -2.046 51 H ASN 11 H ASN 11 -1.854 6.013 -1.402 52 HA ASN 11 HA ASN 11 -1.340 8.521 -2.786 53 HB2 ASN 11 HB3 ASN 11 -2.061 7.926 0.092 54 HB3 ASN 11 HB2 ASN 11 -1.931 9.538 -0.604 55 HD21 ASN 11 HD22 ASN 11 -3.874 6.768 -0.190 56 HD22 ASN 11 HD21 ASN 11 -5.260 7.336 -1.057 57 H THR 12 H THR 12 0.385 6.224 -0.946 58 HA THR 12 HA THR 12 2.435 8.177 -0.183 59 HB THR 12 HB THR 12 2.405 5.249 0.534 60 HG1 THR 12 HG1 THR 12 0.442 6.066 1.259 61 HG21 THR 12 HG21 THR 12 3.950 5.778 2.156 62 HG22 THR 12 HG22 THR 12 3.424 7.458 2.264 63 HG23 THR 12 HG23 THR 12 4.396 6.923 0.892 64 HA PRO 13 HA PRO 13 4.815 6.957 -3.765 65 HB2 PRO 13 HB2 PRO 13 7.117 8.234 -2.991 66 HB3 PRO 13 HB3 PRO 13 5.758 9.041 -3.781 67 HG2 PRO 13 HG3 PRO 13 6.469 8.927 -0.880 68 HG3 PRO 13 HG2 PRO 13 5.868 10.295 -1.835 69 HD2 PRO 13 HD3 PRO 13 4.262 8.880 -0.200 70 HD3 PRO 13 HD2 PRO 13 3.676 9.570 -1.727 71 H GLY 14 H GLY 14 6.014 5.186 -4.141 72 HA2 GLY 14 HA3 GLY 14 7.787 3.684 -3.753 73 HA3 GLY 14 HA2 GLY 14 7.840 4.212 -2.077 74 H CYS 15 H CYS 15 4.751 3.948 -2.238 75 HA CYS 15 HA CYS 15 4.730 1.205 -1.293 76 HB2 CYS 15 HB3 CYS 15 2.605 3.359 -1.311 77 HB3 CYS 15 HB2 CYS 15 2.363 1.745 -0.655 78 H SER 16 H SER 16 3.860 -0.471 -2.328 79 HA SER 16 HA SER 16 2.690 -0.001 -4.982 80 HB2 SER 16 HB3 SER 16 4.008 -2.520 -3.931 81 HB3 SER 16 HB2 SER 16 3.514 -2.197 -5.594 82 HG SER 16 HG SER 16 5.274 -0.398 -4.390 83 H CYS 17 H CYS 17 0.697 -0.856 -5.431 84 HA CYS 17 HA CYS 17 -0.970 -1.457 -3.248 85 HB2 CYS 17 HB3 CYS 17 -1.794 -0.412 -5.320 86 HB3 CYS 17 HB2 CYS 17 -1.524 -1.927 -6.177 87 H THR 18 H THR 18 -1.470 -3.220 -2.281 88 HA THR 18 HA THR 18 -1.048 -5.831 -3.552 89 HB THR 18 HB THR 18 -0.488 -5.361 -0.616 90 HG1 THR 18 HG1 THR 18 1.029 -4.582 -2.727 91 HG21 THR 18 HG21 THR 18 0.968 -7.434 -1.081 92 HG22 THR 18 HG22 THR 18 0.058 -7.565 -2.586 93 HG23 THR 18 HG23 THR 18 -0.782 -7.650 -1.038 94 H TRP 19 H TRP 19 -3.305 -4.880 -3.871 95 HA TRP 19 HA TRP 19 -5.319 -4.307 -2.383 96 HB2 TRP 19 HB3 TRP 19 -5.164 -5.451 -4.832 97 HB3 TRP 19 HB2 TRP 19 -6.030 -6.703 -3.947 98 HD1 TRP 19 HD1 TRP 19 -6.486 -3.283 -5.478 99 HE1 TRP 19 HE1 TRP 19 -8.937 -2.536 -5.202 100 HE3 TRP 19 HE3 TRP 19 -8.082 -6.921 -2.263 101 HZ2 TRP 19 HZ2 TRP 19 -11.237 -3.379 -3.794 102 HZ3 TRP 19 HZ3 TRP 19 -10.408 -6.870 -1.483 103 HH2 TRP 19 HH2 TRP 19 -11.959 -5.139 -2.238 104 HA PRO 20 HA PRO 20 -6.735 -4.009 -1.431 105 HB2 PRO 20 HB2 PRO 20 -8.163 -3.771 0.791 106 HB3 PRO 20 HB3 PRO 20 -8.659 -4.887 -0.485 107 HG2 PRO 20 HG3 PRO 20 -7.420 -5.461 2.152 108 HG3 PRO 20 HG2 PRO 20 -8.547 -6.441 1.201 109 HD2 PRO 20 HD3 PRO 20 -5.705 -6.685 1.332 110 HD3 PRO 20 HD2 PRO 20 -6.822 -7.597 0.299 111 H ILE 21 H ILE 21 -3.992 -4.494 -0.092 112 HA ILE 21 HA ILE 21 -4.014 -1.990 1.431 113 HB ILE 21 HB ILE 21 -2.494 -2.914 3.116 114 HG12 ILE 21 HG13 ILE 21 -3.030 -5.597 1.814 115 HG13 ILE 21 HG12 ILE 21 -1.515 -4.707 1.694 116 HG21 ILE 21 HG21 ILE 21 -5.170 -4.221 2.733 117 HG22 ILE 21 HG22 ILE 21 -4.716 -2.915 3.831 118 HG23 ILE 21 HG23 ILE 21 -4.177 -4.563 4.153 119 HD11 ILE 21 HD11 ILE 21 -2.703 -5.639 4.293 120 HD12 ILE 21 HD12 ILE 21 -1.090 -4.980 4.020 121 HD13 ILE 21 HD13 ILE 21 -1.522 -6.557 3.360 122 H CYS 22 H CYS 22 -2.232 -0.723 1.176 123 HA CYS 22 HA CYS 22 -0.442 -1.472 -0.994 124 HB2 CYS 22 HB3 CYS 22 -1.600 0.815 -0.679 125 HB3 CYS 22 HB2 CYS 22 -0.309 1.138 0.467 126 H THR 23 H THR 23 1.724 -1.629 -0.851 127 HA THR 23 HA THR 23 2.973 -1.552 1.811 128 HB THR 23 HB THR 23 4.151 -3.679 1.305 129 HG1 THR 23 HG1 THR 23 2.277 -4.355 -0.660 130 HG21 THR 23 HG21 THR 23 2.403 -4.106 2.748 131 HG22 THR 23 HG22 THR 23 1.980 -5.152 1.393 132 HG23 THR 23 HG23 THR 23 1.180 -3.593 1.585 133 H ARG 24 H ARG 24 4.924 -0.510 1.758 134 HA ARG 24 HA ARG 24 6.057 0.040 -0.868 135 HB2 ARG 24 HB3 ARG 24 7.356 1.745 0.165 136 HB3 ARG 24 HB2 ARG 24 5.719 1.914 0.754 137 HG2 ARG 24 HG3 ARG 24 6.288 1.142 2.884 138 HG3 ARG 24 HG2 ARG 24 7.812 0.449 2.319 139 HD2 ARG 24 HD3 ARG 24 7.107 3.358 2.655 140 HD3 ARG 24 HD2 ARG 24 8.361 2.444 3.491 141 HE ARG 24 HE ARG 24 8.641 3.796 1.041 142 HH11 ARG 24 HH11 ARG 24 9.643 0.826 2.616 143 HH12 ARG 24 HH12 ARG 24 10.959 0.543 1.513 144 HH21 ARG 24 HH22 ARG 24 10.416 3.413 -0.380 145 HH22 ARG 24 HH21 ARG 24 11.382 1.982 -0.169 146 H ASP 25 H ASP 25 7.714 -1.075 -1.613 147 HA ASP 25 HA ASP 25 9.394 -2.599 -1.772 148 HB2 ASP 25 HB3 ASP 25 10.049 -1.636 1.027 149 HB3 ASP 25 HB2 ASP 25 11.107 -2.621 0.027 150 H GLY 26 H GLY 26 6.773 -3.361 -0.714 151 HA2 GLY 26 HA3 GLY 26 5.870 -5.435 -0.199 152 HA3 GLY 26 HA2 GLY 26 7.479 -6.006 0.214 153 H LEU 27 H LEU 27 6.999 -3.119 1.788 154 HA LEU 27 HA LEU 27 6.320 -4.542 4.264 155 HB2 LEU 27 HB3 LEU 27 7.542 -1.808 3.873 156 HB3 LEU 27 HB2 LEU 27 7.262 -2.588 5.417 157 HG LEU 27 HG LEU 27 9.144 -3.596 3.281 158 HD11 LEU 27 HD11 LEU 27 10.830 -2.484 4.259 159 HD12 LEU 27 HD12 LEU 27 10.186 -2.731 5.883 160 HD13 LEU 27 HD13 LEU 27 9.549 -1.437 4.869 161 HD21 LEU 27 HD21 LEU 27 8.928 -4.520 6.133 162 HD22 LEU 27 HD22 LEU 27 9.804 -5.270 4.798 163 HD23 LEU 27 HD23 LEU 27 8.041 -5.291 4.816 164 HA PRO 28 HA PRO 28 2.354 -2.495 4.000 165 HB2 PRO 28 HB2 PRO 28 1.215 -3.724 6.107 166 HB3 PRO 28 HB3 PRO 28 1.496 -4.563 4.577 167 HG2 PRO 28 HG3 PRO 28 3.081 -4.661 7.111 168 HG3 PRO 28 HG2 PRO 28 2.638 -5.982 6.016 169 HD2 PRO 28 HD3 PRO 28 5.091 -4.754 6.024 170 HD3 PRO 28 HD2 PRO 28 4.391 -5.560 4.607 171 H VAL 29 H VAL 29 4.386 -0.960 5.035 172 HA VAL 29 HA VAL 29 3.583 -0.064 7.669 173 HB VAL 29 HB VAL 29 5.993 -0.224 7.069 174 HG11 VAL 29 HG11 VAL 29 6.529 0.471 5.018 175 HG12 VAL 29 HG12 VAL 29 6.588 2.081 5.739 176 HG13 VAL 29 HG13 VAL 29 5.129 1.539 4.909 177 HG21 VAL 29 HG21 VAL 29 6.514 2.232 7.804 178 HG22 VAL 29 HG22 VAL 29 5.711 1.117 8.909 179 HG23 VAL 29 HG23 VAL 29 4.766 2.317 8.027 Start of MODEL 17 1 H1 CYS 1 H CYS 1 3.123 0.819 4.285 2 HA CYS 1 HA CYS 1 2.353 3.519 4.493 3 HB2 CYS 1 HB3 CYS 1 0.858 1.634 2.718 4 HB3 CYS 1 HB2 CYS 1 1.442 3.261 2.379 5 H GLY 2 H GLY 2 0.586 0.496 4.977 6 HA2 GLY 2 HA3 GLY 2 -1.223 0.039 6.333 7 HA3 GLY 2 HA2 GLY 2 -1.162 1.700 6.897 8 H GLU 3 H GLU 3 -1.394 2.864 4.275 9 HA GLU 3 HA GLU 3 -4.119 3.237 4.107 10 HB2 GLU 3 HB3 GLU 3 -3.674 4.256 1.894 11 HB3 GLU 3 HB2 GLU 3 -2.586 4.820 3.154 12 HG2 GLU 3 HG3 GLU 3 -0.806 3.469 2.320 13 HG3 GLU 3 HG2 GLU 3 -1.885 2.658 1.184 14 H THR 4 H THR 4 -5.754 2.462 2.931 15 HA THR 4 HA THR 4 -5.449 -0.195 1.803 16 HB THR 4 HB THR 4 -7.923 1.500 2.241 17 HG1 THR 4 HG1 THR 4 -6.406 -0.070 3.912 18 HG21 THR 4 HG21 THR 4 -8.215 -0.250 0.523 19 HG22 THR 4 HG22 THR 4 -9.187 -0.553 1.962 20 HG23 THR 4 HG23 THR 4 -7.700 -1.462 1.695 21 H CYS 5 H CYS 5 -4.952 -0.358 -0.305 22 HA CYS 5 HA CYS 5 -5.586 1.827 -2.108 23 HB2 CYS 5 HB3 CYS 5 -4.227 0.585 -3.751 24 HB3 CYS 5 HB2 CYS 5 -3.355 0.878 -2.252 25 H PHE 6 H PHE 6 -7.899 1.070 -1.440 26 HA PHE 6 HA PHE 6 -9.149 -1.154 -2.497 27 HB2 PHE 6 HB3 PHE 6 -10.211 0.440 -0.944 28 HB3 PHE 6 HB2 PHE 6 -10.287 1.638 -2.231 29 HD1 PHE 6 HD2 PHE 6 -11.175 -1.983 -1.975 30 HD2 PHE 6 HD1 PHE 6 -12.427 1.963 -2.961 31 HE1 PHE 6 HE2 PHE 6 -13.377 -2.853 -2.645 32 HE2 PHE 6 HE1 PHE 6 -14.631 1.100 -3.629 33 HZ PHE 6 HZ PHE 6 -15.108 -1.311 -3.473 34 H GLY 7 H GLY 7 -8.582 1.989 -4.057 35 HA2 GLY 7 HA3 GLY 7 -9.684 0.956 -6.560 36 HA3 GLY 7 HA2 GLY 7 -9.231 2.622 -6.238 37 H GLY 8 H GLY 8 -7.042 0.063 -5.392 38 HA2 GLY 8 HA3 GLY 8 -4.987 -0.538 -6.209 39 HA3 GLY 8 HA2 GLY 8 -5.633 -0.194 -7.805 40 H THR 9 H THR 9 -5.173 2.062 -5.119 41 HA THR 9 HA THR 9 -2.950 3.325 -6.540 42 HB THR 9 HB THR 9 -5.161 5.059 -5.474 43 HG1 THR 9 HG1 THR 9 -5.257 3.469 -7.705 44 HG21 THR 9 HG21 THR 9 -3.542 6.540 -5.981 45 HG22 THR 9 HG22 THR 9 -4.077 6.299 -7.644 46 HG23 THR 9 HG23 THR 9 -2.691 5.401 -7.024 47 H CYS 10 H CYS 10 -1.623 4.598 -5.184 48 HA CYS 10 HA CYS 10 -2.213 4.484 -2.313 49 HB2 CYS 10 HB3 CYS 10 0.487 3.849 -3.527 50 HB3 CYS 10 HB2 CYS 10 0.085 3.842 -1.813 51 H ASN 11 H ASN 11 -1.539 6.212 -1.140 52 HA ASN 11 HA ASN 11 -0.850 8.598 -2.658 53 HB2 ASN 11 HB3 ASN 11 -2.689 8.638 -1.004 54 HB3 ASN 11 HB2 ASN 11 -1.538 8.254 0.271 55 HD21 ASN 11 HD22 ASN 11 -0.816 9.908 1.383 56 HD22 ASN 11 HD21 ASN 11 -0.748 11.547 0.846 57 H THR 12 H THR 12 0.753 6.255 -0.782 58 HA THR 12 HA THR 12 2.921 8.101 -0.083 59 HB THR 12 HB THR 12 2.720 5.191 0.679 60 HG1 THR 12 HG1 THR 12 0.854 6.103 1.475 61 HG21 THR 12 HG21 THR 12 3.860 6.828 2.687 62 HG22 THR 12 HG22 THR 12 4.615 7.270 1.157 63 HG23 THR 12 HG23 THR 12 4.652 5.595 1.706 64 HA PRO 13 HA PRO 13 5.208 6.755 -3.670 65 HB2 PRO 13 HB2 PRO 13 7.606 7.836 -2.886 66 HB3 PRO 13 HB3 PRO 13 6.308 8.756 -3.654 67 HG2 PRO 13 HG3 PRO 13 7.019 8.535 -0.758 68 HG3 PRO 13 HG2 PRO 13 6.521 9.963 -1.686 69 HD2 PRO 13 HD3 PRO 13 4.816 8.649 -0.071 70 HD3 PRO 13 HD2 PRO 13 4.280 9.402 -1.587 71 H GLY 14 H GLY 14 6.171 4.874 -4.076 72 HA2 GLY 14 HA3 GLY 14 7.820 3.214 -3.796 73 HA3 GLY 14 HA2 GLY 14 8.024 3.726 -2.127 74 H CYS 15 H CYS 15 4.852 3.713 -2.355 75 HA CYS 15 HA CYS 15 4.629 1.052 -1.216 76 HB2 CYS 15 HB3 CYS 15 2.684 3.354 -1.438 77 HB3 CYS 15 HB2 CYS 15 2.273 1.799 -0.724 78 H SER 16 H SER 16 3.750 -0.641 -2.188 79 HA SER 16 HA SER 16 2.626 -0.283 -4.878 80 HB2 SER 16 HB3 SER 16 3.818 -2.799 -3.685 81 HB3 SER 16 HB2 SER 16 3.403 -2.512 -5.376 82 HG SER 16 HG SER 16 5.113 -0.637 -4.371 83 H CYS 17 H CYS 17 0.594 -1.050 -5.275 84 HA CYS 17 HA CYS 17 -1.050 -1.579 -3.027 85 HB2 CYS 17 HB3 CYS 17 -1.902 -0.384 -4.980 86 HB3 CYS 17 HB2 CYS 17 -1.698 -1.830 -5.963 87 H THR 18 H THR 18 -1.357 -3.364 -2.041 88 HA THR 18 HA THR 18 -1.215 -5.919 -3.486 89 HB THR 18 HB THR 18 -0.444 -5.533 -0.577 90 HG1 THR 18 HG1 THR 18 1.554 -5.140 -1.208 91 HG21 THR 18 HG21 THR 18 -1.232 -7.796 -1.370 92 HG22 THR 18 HG22 THR 18 0.396 -7.766 -0.689 93 HG23 THR 18 HG23 THR 18 0.172 -7.828 -2.438 94 H TRP 19 H TRP 19 -3.442 -5.079 -3.743 95 HA TRP 19 HA TRP 19 -5.411 -4.459 -2.174 96 HB2 TRP 19 HB3 TRP 19 -5.343 -5.548 -4.636 97 HB3 TRP 19 HB2 TRP 19 -6.132 -6.853 -3.754 98 HD1 TRP 19 HD1 TRP 19 -6.754 -3.410 -5.165 99 HE1 TRP 19 HE1 TRP 19 -9.218 -2.757 -4.797 100 HE3 TRP 19 HE3 TRP 19 -8.120 -7.190 -2.013 101 HZ2 TRP 19 HZ2 TRP 19 -11.445 -3.726 -3.347 102 HZ3 TRP 19 HZ3 TRP 19 -10.421 -7.250 -1.166 103 HH2 TRP 19 HH2 TRP 19 -12.055 -5.555 -1.824 104 HA PRO 20 HA PRO 20 -6.816 -4.183 -1.192 105 HB2 PRO 20 HB2 PRO 20 -8.236 -3.993 1.037 106 HB3 PRO 20 HB3 PRO 20 -8.723 -5.103 -0.248 107 HG2 PRO 20 HG3 PRO 20 -7.468 -5.687 2.379 108 HG3 PRO 20 HG2 PRO 20 -8.576 -6.677 1.415 109 HD2 PRO 20 HD3 PRO 20 -5.722 -6.854 1.538 110 HD3 PRO 20 HD2 PRO 20 -6.825 -7.794 0.513 111 H ILE 21 H ILE 21 -4.053 -4.618 0.059 112 HA ILE 21 HA ILE 21 -4.098 -2.157 1.644 113 HB ILE 21 HB ILE 21 -2.535 -3.094 3.295 114 HG12 ILE 21 HG13 ILE 21 -3.114 -5.763 1.983 115 HG13 ILE 21 HG12 ILE 21 -1.594 -4.885 1.850 116 HG21 ILE 21 HG21 ILE 21 -4.200 -4.708 4.376 117 HG22 ILE 21 HG22 ILE 21 -5.216 -4.411 2.963 118 HG23 ILE 21 HG23 ILE 21 -4.763 -3.074 4.023 119 HD11 ILE 21 HD11 ILE 21 -1.630 -5.010 4.453 120 HD12 ILE 21 HD12 ILE 21 -1.113 -6.399 3.498 121 HD13 ILE 21 HD13 ILE 21 -2.742 -6.349 4.171 122 H CYS 22 H CYS 22 -2.403 -0.826 1.310 123 HA CYS 22 HA CYS 22 -0.578 -1.550 -0.830 124 HB2 CYS 22 HB3 CYS 22 -1.722 0.730 -0.548 125 HB3 CYS 22 HB2 CYS 22 -0.497 1.047 0.671 126 H THR 23 H THR 23 1.570 -1.717 -0.679 127 HA THR 23 HA THR 23 2.811 -1.682 1.990 128 HB THR 23 HB THR 23 4.026 -3.825 1.280 129 HG1 THR 23 HG1 THR 23 2.852 -3.484 -0.942 130 HG21 THR 23 HG21 THR 23 1.061 -3.932 1.862 131 HG22 THR 23 HG22 THR 23 2.361 -3.849 3.052 132 HG23 THR 23 HG23 THR 23 2.178 -5.284 2.042 133 H ARG 24 H ARG 24 4.712 -0.625 1.956 134 HA ARG 24 HA ARG 24 5.915 -0.045 -0.629 135 HB2 ARG 24 HB3 ARG 24 6.676 1.861 0.271 136 HB3 ARG 24 HB2 ARG 24 5.496 1.558 1.527 137 HG2 ARG 24 HG3 ARG 24 7.271 1.949 2.855 138 HG3 ARG 24 HG2 ARG 24 7.589 0.238 2.557 139 HD2 ARG 24 HD3 ARG 24 9.596 1.624 2.242 140 HD3 ARG 24 HD2 ARG 24 9.111 0.805 0.757 141 HE ARG 24 HE ARG 24 7.976 3.399 0.897 142 HH11 ARG 24 HH11 ARG 24 10.961 1.694 0.195 143 HH12 ARG 24 HH12 ARG 24 11.596 2.979 -0.787 144 HH21 ARG 24 HH22 ARG 24 8.802 5.078 -0.412 145 HH22 ARG 24 HH21 ARG 24 10.373 4.907 -1.126 146 H ASP 25 H ASP 25 7.683 -0.994 -1.332 147 HA ASP 25 HA ASP 25 9.361 -2.523 -1.515 148 HB2 ASP 25 HB3 ASP 25 9.905 -1.677 1.343 149 HB3 ASP 25 HB2 ASP 25 11.027 -2.564 0.318 150 H GLY 26 H GLY 26 6.740 -3.421 -0.611 151 HA2 GLY 26 HA3 GLY 26 5.836 -5.501 -0.174 152 HA3 GLY 26 HA2 GLY 26 7.456 -6.098 0.149 153 H LEU 27 H LEU 27 6.676 -3.282 1.885 154 HA LEU 27 HA LEU 27 6.071 -4.899 4.274 155 HB2 LEU 27 HB3 LEU 27 7.575 -2.287 4.090 156 HB3 LEU 27 HB2 LEU 27 7.189 -3.128 5.579 157 HG LEU 27 HG LEU 27 8.978 -4.204 3.397 158 HD11 LEU 27 HD11 LEU 27 9.486 -2.610 5.844 159 HD12 LEU 27 HD12 LEU 27 10.341 -2.628 4.301 160 HD13 LEU 27 HD13 LEU 27 10.608 -3.919 5.472 161 HD21 LEU 27 HD21 LEU 27 9.580 -5.868 5.165 162 HD22 LEU 27 HD22 LEU 27 7.935 -6.017 4.549 163 HD23 LEU 27 HD23 LEU 27 8.224 -5.262 6.116 164 HA PRO 28 HA PRO 28 2.305 -2.540 4.391 165 HB2 PRO 28 HB2 PRO 28 1.381 -3.436 6.762 166 HB3 PRO 28 HB3 PRO 28 1.397 -4.448 5.313 167 HG2 PRO 28 HG3 PRO 28 3.311 -4.400 7.613 168 HG3 PRO 28 HG2 PRO 28 2.626 -5.793 6.757 169 HD2 PRO 28 HD3 PRO 28 5.131 -4.821 6.280 170 HD3 PRO 28 HD2 PRO 28 4.158 -5.657 5.055 171 H VAL 29 H VAL 29 4.388 -0.911 4.890 172 HA VAL 29 HA VAL 29 4.128 0.250 7.526 173 HB VAL 29 HB VAL 29 5.795 1.217 5.201 174 HG11 VAL 29 HG11 VAL 29 5.836 1.894 8.136 175 HG12 VAL 29 HG12 VAL 29 5.493 2.977 6.787 176 HG13 VAL 29 HG13 VAL 29 7.118 2.330 7.006 177 HG21 VAL 29 HG21 VAL 29 6.183 -1.165 6.258 178 HG22 VAL 29 HG22 VAL 29 6.977 -0.224 7.520 179 HG23 VAL 29 HG23 VAL 29 7.539 -0.112 5.853 Start of MODEL 18 1 H1 CYS 1 H CYS 1 3.524 1.448 4.107 2 HA CYS 1 HA CYS 1 2.767 4.155 4.656 3 HB2 CYS 1 HB3 CYS 1 1.641 2.215 2.624 4 HB3 CYS 1 HB2 CYS 1 1.338 3.950 2.664 5 H GLY 2 H GLY 2 1.254 0.993 4.938 6 HA2 GLY 2 HA3 GLY 2 -0.581 0.261 6.101 7 HA3 GLY 2 HA2 GLY 2 -0.353 1.672 7.120 8 H GLU 3 H GLU 3 -1.088 1.656 3.676 9 HA GLU 3 HA GLU 3 -3.667 2.917 4.311 10 HB2 GLU 3 HB3 GLU 3 -3.445 4.138 2.174 11 HB3 GLU 3 HB2 GLU 3 -2.162 4.530 3.313 12 HG2 GLU 3 HG3 GLU 3 -0.576 3.271 2.122 13 HG3 GLU 3 HG2 GLU 3 -1.820 2.470 1.161 14 H THR 4 H THR 4 -5.418 2.472 2.936 15 HA THR 4 HA THR 4 -5.260 -0.168 1.699 16 HB THR 4 HB THR 4 -7.588 1.542 2.596 17 HG1 THR 4 HG1 THR 4 -6.549 -0.971 3.447 18 HG21 THR 4 HG21 THR 4 -9.106 -0.190 1.901 19 HG22 THR 4 HG22 THR 4 -7.771 -1.198 1.342 20 HG23 THR 4 HG23 THR 4 -8.152 0.305 0.502 21 H CYS 5 H CYS 5 -5.021 -0.303 -0.436 22 HA CYS 5 HA CYS 5 -5.620 1.993 -2.117 23 HB2 CYS 5 HB3 CYS 5 -4.622 0.548 -3.935 24 HB3 CYS 5 HB2 CYS 5 -3.529 0.969 -2.622 25 H PHE 6 H PHE 6 -7.910 1.472 -1.291 26 HA PHE 6 HA PHE 6 -9.428 -0.646 -2.229 27 HB2 PHE 6 HB3 PHE 6 -10.087 1.230 -0.608 28 HB3 PHE 6 HB2 PHE 6 -10.478 2.175 -2.041 29 HD1 PHE 6 HD1 PHE 6 -11.089 -1.335 -0.925 30 HD2 PHE 6 HD2 PHE 6 -12.727 2.285 -2.452 31 HE1 PHE 6 HE1 PHE 6 -13.318 -2.374 -0.985 32 HE2 PHE 6 HE2 PHE 6 -14.959 1.250 -2.515 33 HZ PHE 6 HZ PHE 6 -15.257 -1.081 -1.781 34 H GLY 7 H GLY 7 -8.602 2.405 -3.805 35 HA2 GLY 7 HA3 GLY 7 -10.039 1.619 -6.220 36 HA3 GLY 7 HA2 GLY 7 -9.270 3.172 -5.927 37 H GLY 8 H GLY 8 -7.485 0.280 -5.239 38 HA2 GLY 8 HA3 GLY 8 -5.820 -0.825 -6.399 39 HA3 GLY 8 HA2 GLY 8 -6.277 0.063 -7.842 40 H THR 9 H THR 9 -5.915 2.692 -6.768 41 HA THR 9 HA THR 9 -3.018 2.807 -6.959 42 HB THR 9 HB THR 9 -4.755 5.227 -6.685 43 HG1 THR 9 HG1 THR 9 -5.085 3.315 -8.541 44 HG21 THR 9 HG21 THR 9 -2.085 4.929 -7.056 45 HG22 THR 9 HG22 THR 9 -3.006 6.336 -7.589 46 HG23 THR 9 HG23 THR 9 -2.642 5.039 -8.727 47 H CYS 10 H CYS 10 -1.680 3.807 -5.478 48 HA CYS 10 HA CYS 10 -2.743 4.022 -2.750 49 HB2 CYS 10 HB3 CYS 10 0.132 3.668 -3.643 50 HB3 CYS 10 HB2 CYS 10 -0.436 3.689 -1.978 51 H ASN 11 H ASN 11 -1.989 5.769 -1.427 52 HA ASN 11 HA ASN 11 -1.735 8.240 -2.937 53 HB2 ASN 11 HB3 ASN 11 -3.347 8.132 -1.099 54 HB3 ASN 11 HB2 ASN 11 -2.063 7.716 0.029 55 HD21 ASN 11 HD22 ASN 11 -1.310 9.319 1.190 56 HD22 ASN 11 HD21 ASN 11 -1.356 10.994 0.771 57 H THR 12 H THR 12 0.202 6.133 -0.977 58 HA THR 12 HA THR 12 2.354 8.125 -0.855 59 HB THR 12 HB THR 12 2.383 5.409 0.443 60 HG1 THR 12 HG1 THR 12 0.538 6.332 1.244 61 HG21 THR 12 HG21 THR 12 4.089 7.743 0.421 62 HG22 THR 12 HG22 THR 12 4.400 6.128 1.056 63 HG23 THR 12 HG23 THR 12 3.587 7.328 2.060 64 HA PRO 13 HA PRO 13 4.208 6.041 -4.359 65 HB2 PRO 13 HB2 PRO 13 6.507 7.773 -3.746 66 HB3 PRO 13 HB3 PRO 13 5.524 7.693 -5.211 67 HG2 PRO 13 HG3 PRO 13 5.379 9.777 -3.517 68 HG3 PRO 13 HG2 PRO 13 3.961 9.185 -4.403 69 HD2 PRO 13 HD3 PRO 13 4.743 8.721 -1.549 70 HD3 PRO 13 HD2 PRO 13 3.139 9.050 -2.239 71 H GLY 14 H GLY 14 5.568 4.343 -4.545 72 HA2 GLY 14 HA3 GLY 14 7.584 3.179 -3.991 73 HA3 GLY 14 HA2 GLY 14 7.487 3.865 -2.373 74 H CYS 15 H CYS 15 4.580 3.329 -2.231 75 HA CYS 15 HA CYS 15 4.828 0.565 -1.372 76 HB2 CYS 15 HB3 CYS 15 2.906 2.776 -0.831 77 HB3 CYS 15 HB2 CYS 15 2.316 1.123 -0.689 78 H SER 16 H SER 16 3.977 -1.128 -2.338 79 HA SER 16 HA SER 16 2.640 -0.742 -4.895 80 HB2 SER 16 HB3 SER 16 3.567 -3.321 -3.606 81 HB3 SER 16 HB2 SER 16 3.156 -3.064 -5.303 82 HG SER 16 HG SER 16 5.047 -1.313 -4.499 83 H CYS 17 H CYS 17 0.546 -1.427 -5.293 84 HA CYS 17 HA CYS 17 -1.113 -1.646 -2.984 85 HB2 CYS 17 HB3 CYS 17 -1.970 -0.450 -4.880 86 HB3 CYS 17 HB2 CYS 17 -1.775 -1.857 -5.916 87 H THR 18 H THR 18 -1.273 -3.365 -1.883 88 HA THR 18 HA THR 18 -1.460 -5.980 -3.218 89 HB THR 18 HB THR 18 -0.658 -5.526 -0.328 90 HG1 THR 18 HG1 THR 18 1.157 -4.814 -1.197 91 HG21 THR 18 HG21 THR 18 -1.534 -7.758 -0.916 92 HG22 THR 18 HG22 THR 18 0.170 -7.814 -0.465 93 HG23 THR 18 HG23 THR 18 -0.296 -7.901 -2.164 94 H TRP 19 H TRP 19 -3.614 -4.925 -3.491 95 HA TRP 19 HA TRP 19 -5.500 -4.091 -1.926 96 HB2 TRP 19 HB3 TRP 19 -5.582 -5.221 -4.350 97 HB3 TRP 19 HB2 TRP 19 -6.410 -6.477 -3.437 98 HD1 TRP 19 HD1 TRP 19 -6.944 -3.099 -4.971 99 HE1 TRP 19 HE1 TRP 19 -9.352 -2.301 -4.521 100 HE3 TRP 19 HE3 TRP 19 -8.315 -6.594 -1.510 101 HZ2 TRP 19 HZ2 TRP 19 -11.538 -3.058 -2.899 102 HZ3 TRP 19 HZ3 TRP 19 -10.565 -6.481 -0.542 103 HH2 TRP 19 HH2 TRP 19 -12.152 -4.752 -1.227 104 HA PRO 20 HA PRO 20 -6.796 -3.636 -0.888 105 HB2 PRO 20 HB2 PRO 20 -8.123 -3.251 1.374 106 HB3 PRO 20 HB3 PRO 20 -8.762 -4.330 0.130 107 HG2 PRO 20 HG3 PRO 20 -7.505 -4.989 2.736 108 HG3 PRO 20 HG2 PRO 20 -8.730 -5.881 1.819 109 HD2 PRO 20 HD3 PRO 20 -5.901 -6.333 1.878 110 HD3 PRO 20 HD2 PRO 20 -7.120 -7.192 0.915 111 H ILE 21 H ILE 21 -4.041 -4.237 0.178 112 HA ILE 21 HA ILE 21 -3.809 -1.802 1.772 113 HB ILE 21 HB ILE 21 -2.200 -2.963 3.335 114 HG12 ILE 21 HG13 ILE 21 -3.083 -5.526 3.490 115 HG13 ILE 21 HG12 ILE 21 -3.121 -5.285 1.748 116 HG21 ILE 21 HG21 ILE 21 -5.117 -3.723 3.355 117 HG22 ILE 21 HG22 ILE 21 -4.362 -2.326 4.128 118 HG23 ILE 21 HG23 ILE 21 -4.026 -3.950 4.725 119 HD11 ILE 21 HD11 ILE 21 -0.723 -4.486 1.964 120 HD12 ILE 21 HD12 ILE 21 -1.024 -6.206 2.212 121 HD13 ILE 21 HD13 ILE 21 -0.770 -5.147 3.599 122 H CYS 22 H CYS 22 -2.106 -0.590 1.291 123 HA CYS 22 HA CYS 22 -0.322 -1.464 -0.826 124 HB2 CYS 22 HB3 CYS 22 -0.367 1.159 0.670 125 HB3 CYS 22 HB2 CYS 22 0.544 0.818 -0.791 126 H THR 23 H THR 23 1.732 -2.025 -0.636 127 HA THR 23 HA THR 23 3.121 -1.664 1.926 128 HB THR 23 HB THR 23 4.049 -4.051 1.525 129 HG1 THR 23 HG1 THR 23 2.434 -5.402 0.482 130 HG21 THR 23 HG21 THR 23 1.394 -3.294 2.648 131 HG22 THR 23 HG22 THR 23 2.833 -3.903 3.467 132 HG23 THR 23 HG23 THR 23 1.811 -5.005 2.546 133 H ARG 24 H ARG 24 5.201 -1.007 1.663 134 HA ARG 24 HA ARG 24 6.271 -1.011 -1.056 135 HB2 ARG 24 HB3 ARG 24 7.899 0.613 -0.218 136 HB3 ARG 24 HB2 ARG 24 6.259 1.160 0.057 137 HG2 ARG 24 HG3 ARG 24 6.430 0.944 2.335 138 HG3 ARG 24 HG2 ARG 24 7.703 -0.276 2.232 139 HD2 ARG 24 HD3 ARG 24 8.016 2.643 1.536 140 HD3 ARG 24 HD2 ARG 24 8.552 1.888 3.038 141 HE ARG 24 HE ARG 24 9.717 0.421 1.005 142 HH11 ARG 24 HH11 ARG 24 9.809 3.765 2.063 143 HH12 ARG 24 HH12 ARG 24 11.426 4.020 1.505 144 HH21 ARG 24 HH22 ARG 24 11.795 0.726 0.280 145 HH22 ARG 24 HH21 ARG 24 12.577 2.273 0.476 146 H ASP 25 H ASP 25 7.868 -2.356 -1.600 147 HA ASP 25 HA ASP 25 9.418 -4.022 -1.472 148 HB2 ASP 25 HB3 ASP 25 10.095 -2.868 1.248 149 HB3 ASP 25 HB2 ASP 25 11.133 -3.866 0.238 150 H GLY 26 H GLY 26 6.704 -4.335 -0.397 151 HA2 GLY 26 HA3 GLY 26 5.519 -6.137 0.431 152 HA3 GLY 26 HA2 GLY 26 7.045 -6.906 0.841 153 H LEU 27 H LEU 27 6.969 -3.783 2.063 154 HA LEU 27 HA LEU 27 6.208 -4.807 4.715 155 HB2 LEU 27 HB3 LEU 27 7.999 -2.490 3.985 156 HB3 LEU 27 HB2 LEU 27 7.604 -2.985 5.619 157 HG LEU 27 HG LEU 27 9.122 -4.659 3.615 158 HD11 LEU 27 HD11 LEU 27 10.953 -3.590 4.256 159 HD12 LEU 27 HD12 LEU 27 10.621 -4.006 5.937 160 HD13 LEU 27 HD13 LEU 27 9.976 -2.514 5.255 161 HD21 LEU 27 HD21 LEU 27 8.897 -6.389 4.994 162 HD22 LEU 27 HD22 LEU 27 7.674 -5.457 5.858 163 HD23 LEU 27 HD23 LEU 27 9.354 -5.414 6.391 164 HA PRO 28 HA PRO 28 2.788 -1.968 4.555 165 HB2 PRO 28 HB2 PRO 28 2.282 -2.590 7.335 166 HB3 PRO 28 HB3 PRO 28 1.389 -3.122 5.910 167 HG2 PRO 28 HG3 PRO 28 2.873 -4.795 7.482 168 HG3 PRO 28 HG2 PRO 28 2.543 -5.090 5.765 169 HD2 PRO 28 HD3 PRO 28 5.000 -3.968 7.060 170 HD3 PRO 28 HD2 PRO 28 4.860 -5.123 5.716 171 H VAL 29 H VAL 29 4.801 -0.393 4.600 172 HA VAL 29 HA VAL 29 5.138 0.943 7.135 173 HB VAL 29 HB VAL 29 6.262 1.691 4.435 174 HG11 VAL 29 HG11 VAL 29 6.803 3.589 5.487 175 HG12 VAL 29 HG12 VAL 29 7.993 2.617 6.353 176 HG13 VAL 29 HG13 VAL 29 6.412 2.925 7.073 177 HG21 VAL 29 HG21 VAL 29 6.926 -0.462 6.189 178 HG22 VAL 29 HG22 VAL 29 8.265 0.685 6.148 179 HG23 VAL 29 HG23 VAL 29 7.660 -0.019 4.648 Start of MODEL 19 1 H1 CYS 1 H CYS 1 3.515 0.820 4.221 2 HA CYS 1 HA CYS 1 2.864 3.548 4.545 3 HB2 CYS 1 HB3 CYS 1 1.118 1.847 2.850 4 HB3 CYS 1 HB2 CYS 1 1.914 3.372 2.469 5 H GLY 2 H GLY 2 1.108 0.553 5.146 6 HA2 GLY 2 HA3 GLY 2 -0.749 0.073 6.398 7 HA3 GLY 2 HA2 GLY 2 -0.379 1.535 7.299 8 H GLU 3 H GLU 3 -1.216 1.304 3.878 9 HA GLU 3 HA GLU 3 -3.714 2.722 4.489 10 HB2 GLU 3 HB3 GLU 3 -3.414 3.965 2.355 11 HB3 GLU 3 HB2 GLU 3 -2.195 4.334 3.565 12 HG2 GLU 3 HG3 GLU 3 -0.562 3.028 2.436 13 HG3 GLU 3 HG2 GLU 3 -1.770 2.366 1.334 14 H THR 4 H THR 4 -5.500 2.206 3.320 15 HA THR 4 HA THR 4 -5.425 -0.351 1.945 16 HB THR 4 HB THR 4 -7.758 1.423 2.717 17 HG1 THR 4 HG1 THR 4 -6.755 -0.953 3.935 18 HG21 THR 4 HG21 THR 4 -7.596 -1.023 1.134 19 HG22 THR 4 HG22 THR 4 -8.926 0.121 1.314 20 HG23 THR 4 HG23 THR 4 -8.696 -1.158 2.505 21 H CYS 5 H CYS 5 -4.982 -0.311 -0.177 22 HA CYS 5 HA CYS 5 -5.675 2.021 -1.764 23 HB2 CYS 5 HB3 CYS 5 -4.410 0.884 -3.568 24 HB3 CYS 5 HB2 CYS 5 -3.463 1.103 -2.102 25 H PHE 6 H PHE 6 -7.967 1.232 -1.072 26 HA PHE 6 HA PHE 6 -9.275 -0.899 -2.245 27 HB2 PHE 6 HB3 PHE 6 -10.260 0.580 -0.532 28 HB3 PHE 6 HB2 PHE 6 -10.381 1.870 -1.723 29 HD1 PHE 6 HD1 PHE 6 -11.282 -1.757 -1.697 30 HD2 PHE 6 HD2 PHE 6 -12.546 2.255 -2.338 31 HE1 PHE 6 HE1 PHE 6 -13.513 -2.567 -2.341 32 HE2 PHE 6 HE2 PHE 6 -14.781 1.451 -2.982 33 HZ PHE 6 HZ PHE 6 -15.267 -0.963 -2.984 34 H GLY 7 H GLY 7 -8.780 2.363 -3.576 35 HA2 GLY 7 HA3 GLY 7 -9.983 1.529 -6.103 36 HA3 GLY 7 HA2 GLY 7 -9.492 3.162 -5.676 37 H GLY 8 H GLY 8 -7.304 0.530 -5.113 38 HA2 GLY 8 HA3 GLY 8 -5.292 -0.032 -6.059 39 HA3 GLY 8 HA2 GLY 8 -5.997 0.439 -7.598 40 H THR 9 H THR 9 -5.504 2.541 -4.819 41 HA THR 9 HA THR 9 -3.326 3.901 -6.236 42 HB THR 9 HB THR 9 -5.409 5.521 -4.813 43 HG1 THR 9 HG1 THR 9 -5.778 4.117 -7.132 44 HG21 THR 9 HG21 THR 9 -3.896 7.075 -5.384 45 HG22 THR 9 HG22 THR 9 -4.526 6.899 -7.022 46 HG23 THR 9 HG23 THR 9 -3.095 5.996 -6.527 47 H CYS 10 H CYS 10 -1.870 4.991 -4.868 48 HA CYS 10 HA CYS 10 -2.233 4.545 -1.988 49 HB2 CYS 10 HB3 CYS 10 0.361 4.162 -3.502 50 HB3 CYS 10 HB2 CYS 10 0.129 3.957 -1.769 51 H ASN 11 H ASN 11 -1.523 6.136 -0.663 52 HA ASN 11 HA ASN 11 -0.998 8.711 -1.917 53 HB2 ASN 11 HB3 ASN 11 -2.702 8.497 -0.128 54 HB3 ASN 11 HB2 ASN 11 -1.441 8.000 0.994 55 HD21 ASN 11 HD22 ASN 11 -0.674 9.536 2.238 56 HD22 ASN 11 HD21 ASN 11 -0.674 11.227 1.891 57 H THR 12 H THR 12 0.736 6.190 -0.410 58 HA THR 12 HA THR 12 2.969 7.962 0.274 59 HB THR 12 HB THR 12 2.824 5.000 0.803 60 HG1 THR 12 HG1 THR 12 1.003 5.803 1.794 61 HG21 THR 12 HG21 THR 12 4.452 5.401 2.458 62 HG22 THR 12 HG22 THR 12 4.178 7.144 2.421 63 HG23 THR 12 HG23 THR 12 4.974 6.347 1.064 64 HA PRO 13 HA PRO 13 4.915 6.863 -3.598 65 HB2 PRO 13 HB2 PRO 13 7.303 8.050 -2.336 66 HB3 PRO 13 HB3 PRO 13 6.465 8.521 -3.818 67 HG2 PRO 13 HG3 PRO 13 6.322 10.014 -1.597 68 HG3 PRO 13 HG2 PRO 13 4.941 9.844 -2.695 69 HD2 PRO 13 HD3 PRO 13 5.455 8.493 -0.072 70 HD3 PRO 13 HD2 PRO 13 3.940 9.162 -0.718 71 H GLY 14 H GLY 14 6.009 5.090 -4.228 72 HA2 GLY 14 HA3 GLY 14 7.699 3.461 -4.127 73 HA3 GLY 14 HA2 GLY 14 7.969 3.876 -2.440 74 H CYS 15 H CYS 15 4.828 3.762 -2.385 75 HA CYS 15 HA CYS 15 4.768 1.002 -1.498 76 HB2 CYS 15 HB3 CYS 15 2.740 3.239 -1.327 77 HB3 CYS 15 HB2 CYS 15 2.477 1.619 -0.689 78 H SER 16 H SER 16 3.754 -0.618 -2.479 79 HA SER 16 HA SER 16 2.474 -0.073 -5.064 80 HB2 SER 16 HB3 SER 16 3.622 -2.694 -4.073 81 HB3 SER 16 HB2 SER 16 3.136 -2.295 -5.721 82 HG SER 16 HG SER 16 4.969 -0.546 -4.710 83 H CYS 17 H CYS 17 0.405 -0.777 -5.410 84 HA CYS 17 HA CYS 17 -1.146 -1.359 -3.103 85 HB2 CYS 17 HB3 CYS 17 -2.069 -0.030 -4.917 86 HB3 CYS 17 HB2 CYS 17 -1.934 -1.399 -6.013 87 H THR 18 H THR 18 -1.315 -3.189 -2.180 88 HA THR 18 HA THR 18 -1.323 -5.673 -3.759 89 HB THR 18 HB THR 18 -0.592 -5.471 -0.826 90 HG1 THR 18 HG1 THR 18 1.453 -5.103 -1.367 91 HG21 THR 18 HG21 THR 18 0.602 -7.655 -1.475 92 HG22 THR 18 HG22 THR 18 -0.390 -7.608 -2.931 93 HG23 THR 18 HG23 THR 18 -1.157 -7.690 -1.345 94 H TRP 19 H TRP 19 -3.542 -4.755 -3.968 95 HA TRP 19 HA TRP 19 -5.487 -4.174 -2.359 96 HB2 TRP 19 HB3 TRP 19 -5.472 -5.120 -4.872 97 HB3 TRP 19 HB2 TRP 19 -6.264 -6.468 -4.061 98 HD1 TRP 19 HD1 TRP 19 -6.878 -2.960 -5.285 99 HE1 TRP 19 HE1 TRP 19 -9.327 -2.299 -4.832 100 HE3 TRP 19 HE3 TRP 19 -8.221 -6.860 -2.271 101 HZ2 TRP 19 HZ2 TRP 19 -11.532 -3.307 -3.382 102 HZ3 TRP 19 HZ3 TRP 19 -10.505 -6.933 -1.380 103 HH2 TRP 19 HH2 TRP 19 -12.133 -5.194 -1.928 104 HA PRO 20 HA PRO 20 -6.866 -3.909 -1.344 105 HB2 PRO 20 HB2 PRO 20 -8.235 -3.782 0.920 106 HB3 PRO 20 HB3 PRO 20 -8.779 -4.817 -0.402 107 HG2 PRO 20 HG3 PRO 20 -7.477 -5.553 2.165 108 HG3 PRO 20 HG2 PRO 20 -8.648 -6.462 1.197 109 HD2 PRO 20 HD3 PRO 20 -5.808 -6.758 1.225 110 HD3 PRO 20 HD2 PRO 20 -6.972 -7.593 0.177 111 H ILE 21 H ILE 21 -4.091 -4.490 -0.166 112 HA ILE 21 HA ILE 21 -4.037 -2.099 1.527 113 HB ILE 21 HB ILE 21 -2.460 -3.153 3.097 114 HG12 ILE 21 HG13 ILE 21 -3.171 -5.749 1.709 115 HG13 ILE 21 HG12 ILE 21 -1.629 -4.916 1.541 116 HG21 ILE 21 HG21 ILE 21 -5.190 -4.369 2.777 117 HG22 ILE 21 HG22 ILE 21 -4.675 -3.082 3.870 118 HG23 ILE 21 HG23 ILE 21 -4.155 -4.743 4.156 119 HD11 ILE 21 HD11 ILE 21 -1.297 -5.179 3.987 120 HD12 ILE 21 HD12 ILE 21 -1.372 -6.701 3.100 121 HD13 ILE 21 HD13 ILE 21 -2.765 -6.155 4.033 122 H CYS 22 H CYS 22 -2.390 -0.762 1.137 123 HA CYS 22 HA CYS 22 -0.567 -1.445 -1.019 124 HB2 CYS 22 HB3 CYS 22 -1.725 0.817 -0.701 125 HB3 CYS 22 HB2 CYS 22 -0.515 1.126 0.532 126 H THR 23 H THR 23 1.577 -1.613 -0.880 127 HA THR 23 HA THR 23 2.897 -1.508 1.738 128 HB THR 23 HB THR 23 3.969 -3.763 1.164 129 HG1 THR 23 HG1 THR 23 2.583 -3.498 -1.012 130 HG21 THR 23 HG21 THR 23 2.629 -4.564 2.760 131 HG22 THR 23 HG22 THR 23 1.263 -4.606 1.645 132 HG23 THR 23 HG23 THR 23 1.609 -3.139 2.560 133 H ARG 24 H ARG 24 4.969 -0.733 1.570 134 HA ARG 24 HA ARG 24 5.993 -0.357 -1.132 135 HB2 ARG 24 HB3 ARG 24 7.705 1.087 -0.037 136 HB3 ARG 24 HB2 ARG 24 6.062 1.655 0.140 137 HG2 ARG 24 HG3 ARG 24 6.919 2.044 2.225 138 HG3 ARG 24 HG2 ARG 24 6.191 0.455 2.447 139 HD2 ARG 24 HD3 ARG 24 8.596 0.927 3.334 140 HD3 ARG 24 HD2 ARG 24 8.228 -0.612 2.565 141 HE ARG 24 HE ARG 24 9.818 -0.123 1.024 142 HH11 ARG 24 HH11 ARG 24 8.674 2.956 2.277 143 HH12 ARG 24 HH12 ARG 24 9.755 3.884 1.297 144 HH21 ARG 24 HH22 ARG 24 11.225 1.067 -0.233 145 HH22 ARG 24 HH21 ARG 24 11.218 2.808 -0.142 146 H ASP 25 H ASP 25 7.588 -1.527 -1.944 147 HA ASP 25 HA ASP 25 9.122 -3.197 -2.169 148 HB2 ASP 25 HB3 ASP 25 9.929 -2.451 0.656 149 HB3 ASP 25 HB2 ASP 25 10.919 -3.293 -0.530 150 H GLY 26 H GLY 26 6.472 -3.765 -1.028 151 HA2 GLY 26 HA3 GLY 26 5.379 -5.711 -0.434 152 HA3 GLY 26 HA2 GLY 26 6.943 -6.488 -0.238 153 H LEU 27 H LEU 27 6.695 -3.557 1.446 154 HA LEU 27 HA LEU 27 6.208 -5.023 3.952 155 HB2 LEU 27 HB3 LEU 27 7.797 -2.495 3.500 156 HB3 LEU 27 HB2 LEU 27 7.546 -3.273 5.051 157 HG LEU 27 HG LEU 27 9.031 -4.493 2.721 158 HD11 LEU 27 HD11 LEU 27 10.671 -3.127 3.379 159 HD12 LEU 27 HD12 LEU 27 10.803 -4.186 4.782 160 HD13 LEU 27 HD13 LEU 27 9.847 -2.707 4.880 161 HD21 LEU 27 HD21 LEU 27 8.079 -6.239 4.020 162 HD22 LEU 27 HD22 LEU 27 8.507 -5.438 5.531 163 HD23 LEU 27 HD23 LEU 27 9.771 -6.110 4.501 164 HA PRO 28 HA PRO 28 2.583 -2.475 4.332 165 HB2 PRO 28 HB2 PRO 28 2.286 -3.546 7.013 166 HB3 PRO 28 HB3 PRO 28 1.327 -3.889 5.572 167 HG2 PRO 28 HG3 PRO 28 2.975 -5.717 6.740 168 HG3 PRO 28 HG2 PRO 28 2.587 -5.718 5.011 169 HD2 PRO 28 HD3 PRO 28 5.031 -4.688 6.405 170 HD3 PRO 28 HD2 PRO 28 4.899 -5.603 4.886 171 H VAL 29 H VAL 29 4.767 -0.955 4.670 172 HA VAL 29 HA VAL 29 4.799 0.163 7.337 173 HB VAL 29 HB VAL 29 6.292 1.089 4.880 174 HG11 VAL 29 HG11 VAL 29 6.223 2.859 6.468 175 HG12 VAL 29 HG12 VAL 29 7.820 2.121 6.583 176 HG13 VAL 29 HG13 VAL 29 6.594 1.761 7.799 177 HG21 VAL 29 HG21 VAL 29 7.112 -1.056 5.230 178 HG22 VAL 29 HG22 VAL 29 6.965 -0.932 6.983 179 HG23 VAL 29 HG23 VAL 29 8.236 -0.046 6.140 Start of MODEL 20 1 H1 CYS 1 H CYS 1 3.274 1.543 4.298 2 HA CYS 1 HA CYS 1 2.393 4.207 4.943 3 HB2 CYS 1 HB3 CYS 1 1.469 2.365 2.724 4 HB3 CYS 1 HB2 CYS 1 1.136 4.090 2.844 5 H GLY 2 H GLY 2 1.039 0.966 4.897 6 HA2 GLY 2 HA3 GLY 2 -0.810 0.045 5.880 7 HA3 GLY 2 HA2 GLY 2 -0.729 1.380 7.017 8 H GLU 3 H GLU 3 -1.223 1.767 3.567 9 HA GLU 3 HA GLU 3 -3.879 2.847 4.168 10 HB2 GLU 3 HB3 GLU 3 -3.651 4.011 1.959 11 HB3 GLU 3 HB2 GLU 3 -2.493 4.516 3.182 12 HG2 GLU 3 HG3 GLU 3 -0.743 3.291 2.145 13 HG3 GLU 3 HG2 GLU 3 -1.871 2.496 1.047 14 H THR 4 H THR 4 -5.658 2.270 2.969 15 HA THR 4 HA THR 4 -5.502 -0.354 1.735 16 HB THR 4 HB THR 4 -7.904 1.403 2.315 17 HG1 THR 4 HG1 THR 4 -6.614 -0.647 3.797 18 HG21 THR 4 HG21 THR 4 -9.001 -0.971 2.266 19 HG22 THR 4 HG22 THR 4 -7.608 -1.381 1.264 20 HG23 THR 4 HG23 THR 4 -8.713 -0.103 0.758 21 H CYS 5 H CYS 5 -4.969 -0.390 -0.368 22 HA CYS 5 HA CYS 5 -5.710 1.821 -2.098 23 HB2 CYS 5 HB3 CYS 5 -4.335 0.661 -3.797 24 HB3 CYS 5 HB2 CYS 5 -3.449 0.984 -2.312 25 H PHE 6 H PHE 6 -7.987 0.985 -1.451 26 HA PHE 6 HA PHE 6 -9.163 -1.265 -2.549 27 HB2 PHE 6 HB3 PHE 6 -10.271 0.245 -0.947 28 HB3 PHE 6 HB2 PHE 6 -10.395 1.478 -2.196 29 HD1 PHE 6 HD1 PHE 6 -11.164 -2.177 -2.037 30 HD2 PHE 6 HD2 PHE 6 -12.546 1.751 -2.914 31 HE1 PHE 6 HE1 PHE 6 -13.338 -3.100 -2.727 32 HE2 PHE 6 HE2 PHE 6 -14.722 0.835 -3.605 33 HZ PHE 6 HZ PHE 6 -15.121 -1.593 -3.512 34 H GLY 7 H GLY 7 -8.685 1.925 -4.033 35 HA2 GLY 7 HA3 GLY 7 -9.870 1.015 -6.528 36 HA3 GLY 7 HA2 GLY 7 -9.270 2.629 -6.188 37 H GLY 8 H GLY 8 -7.168 0.028 -5.384 38 HA2 GLY 8 HA3 GLY 8 -5.208 -0.728 -6.307 39 HA3 GLY 8 HA2 GLY 8 -5.909 -0.371 -7.877 40 H THR 9 H THR 9 -5.291 1.936 -5.290 41 HA THR 9 HA THR 9 -2.976 3.010 -6.691 42 HB THR 9 HB THR 9 -5.172 4.918 -5.935 43 HG1 THR 9 HG1 THR 9 -5.149 3.172 -8.061 44 HG21 THR 9 HG21 THR 9 -3.679 5.693 -8.221 45 HG22 THR 9 HG22 THR 9 -2.541 5.140 -6.991 46 HG23 THR 9 HG23 THR 9 -3.687 6.427 -6.617 47 H CYS 10 H CYS 10 -1.677 4.317 -5.352 48 HA CYS 10 HA CYS 10 -2.412 4.285 -2.504 49 HB2 CYS 10 HB3 CYS 10 0.385 4.006 -3.627 50 HB3 CYS 10 HB2 CYS 10 -0.084 3.908 -1.932 51 H ASN 11 H ASN 11 -1.855 6.048 -1.281 52 HA ASN 11 HA ASN 11 -1.505 8.521 -2.775 53 HB2 ASN 11 HB3 ASN 11 -3.246 8.393 -1.048 54 HB3 ASN 11 HB2 ASN 11 -2.030 8.012 0.166 55 HD21 ASN 11 HD22 ASN 11 -1.314 9.639 1.326 56 HD22 ASN 11 HD21 ASN 11 -1.383 11.307 0.889 57 H THR 12 H THR 12 0.303 6.370 -0.781 58 HA THR 12 HA THR 12 2.418 8.363 -0.392 59 HB THR 12 HB THR 12 2.414 5.576 0.735 60 HG1 THR 12 HG1 THR 12 0.478 6.380 1.442 61 HG21 THR 12 HG21 THR 12 4.394 7.261 0.802 62 HG22 THR 12 HG22 THR 12 3.956 6.381 2.265 63 HG23 THR 12 HG23 THR 12 3.442 8.055 2.058 64 HA PRO 13 HA PRO 13 4.561 6.547 -3.880 65 HB2 PRO 13 HB2 PRO 13 6.797 8.206 -2.912 66 HB3 PRO 13 HB3 PRO 13 5.969 8.240 -4.470 67 HG2 PRO 13 HG3 PRO 13 5.643 10.196 -2.663 68 HG3 PRO 13 HG2 PRO 13 4.316 9.663 -3.712 69 HD2 PRO 13 HD3 PRO 13 4.843 9.005 -0.837 70 HD3 PRO 13 HD2 PRO 13 3.305 9.380 -1.644 71 H GLY 14 H GLY 14 5.953 4.864 -4.098 72 HA2 GLY 14 HA3 GLY 14 7.875 3.601 -3.486 73 HA3 GLY 14 HA2 GLY 14 7.709 4.204 -1.842 74 H CYS 15 H CYS 15 4.789 3.730 -1.908 75 HA CYS 15 HA CYS 15 4.896 0.934 -1.141 76 HB2 CYS 15 HB3 CYS 15 3.055 3.214 -0.639 77 HB3 CYS 15 HB2 CYS 15 2.348 1.603 -0.633 78 H SER 16 H SER 16 3.916 -0.701 -2.150 79 HA SER 16 HA SER 16 2.726 -0.142 -4.772 80 HB2 SER 16 HB3 SER 16 3.843 -2.759 -3.735 81 HB3 SER 16 HB2 SER 16 3.409 -2.372 -5.401 82 HG SER 16 HG SER 16 5.187 -0.597 -4.351 83 H CYS 17 H CYS 17 0.697 -0.924 -5.258 84 HA CYS 17 HA CYS 17 -0.994 -1.453 -3.041 85 HB2 CYS 17 HB3 CYS 17 -1.821 -0.222 -4.968 86 HB3 CYS 17 HB2 CYS 17 -1.584 -1.634 -5.992 87 H THR 18 H THR 18 -1.076 -3.253 -2.038 88 HA THR 18 HA THR 18 -0.970 -5.790 -3.525 89 HB THR 18 HB THR 18 -0.345 -5.432 -0.578 90 HG1 THR 18 HG1 THR 18 1.445 -4.537 -1.323 91 HG21 THR 18 HG21 THR 18 -0.067 -7.686 -2.548 92 HG22 THR 18 HG22 THR 18 -0.868 -7.685 -0.977 93 HG23 THR 18 HG23 THR 18 0.892 -7.635 -1.069 94 H TRP 19 H TRP 19 -3.202 -4.969 -3.867 95 HA TRP 19 HA TRP 19 -5.238 -4.391 -2.371 96 HB2 TRP 19 HB3 TRP 19 -5.078 -5.440 -4.838 97 HB3 TRP 19 HB2 TRP 19 -5.857 -6.782 -4.006 98 HD1 TRP 19 HD1 TRP 19 -6.539 -3.351 -5.402 99 HE1 TRP 19 HE1 TRP 19 -9.028 -2.764 -5.086 100 HE3 TRP 19 HE3 TRP 19 -7.879 -7.174 -2.289 101 HZ2 TRP 19 HZ2 TRP 19 -11.259 -3.793 -3.693 102 HZ3 TRP 19 HZ3 TRP 19 -10.198 -7.295 -1.497 103 HH2 TRP 19 HH2 TRP 19 -11.859 -5.641 -2.189 104 HA PRO 20 HA PRO 20 -6.676 -4.137 -1.438 105 HB2 PRO 20 HB2 PRO 20 -8.149 -3.959 0.754 106 HB3 PRO 20 HB3 PRO 20 -8.595 -5.078 -0.538 107 HG2 PRO 20 HG3 PRO 20 -7.376 -5.641 2.114 108 HG3 PRO 20 HG2 PRO 20 -8.477 -6.636 1.147 109 HD2 PRO 20 HD3 PRO 20 -5.634 -6.835 1.299 110 HD3 PRO 20 HD2 PRO 20 -6.726 -7.749 0.241 111 H ILE 21 H ILE 21 -3.944 -4.589 -0.092 112 HA ILE 21 HA ILE 21 -4.037 -2.115 1.474 113 HB ILE 21 HB ILE 21 -2.509 -3.045 3.167 114 HG12 ILE 21 HG13 ILE 21 -3.089 -5.722 1.874 115 HG13 ILE 21 HG12 ILE 21 -1.559 -4.859 1.747 116 HG21 ILE 21 HG21 ILE 21 -5.190 -4.352 2.781 117 HG22 ILE 21 HG22 ILE 21 -4.763 -2.994 3.825 118 HG23 ILE 21 HG23 ILE 21 -4.213 -4.621 4.227 119 HD11 ILE 21 HD11 ILE 21 -1.552 -4.950 4.318 120 HD12 ILE 21 HD12 ILE 21 -1.171 -6.415 3.413 121 HD13 ILE 21 HD13 ILE 21 -2.773 -6.208 4.121 122 H CYS 22 H CYS 22 -2.420 -0.751 1.098 123 HA CYS 22 HA CYS 22 -0.458 -1.470 -0.919 124 HB2 CYS 22 HB3 CYS 22 -1.701 0.752 -0.791 125 HB3 CYS 22 HB2 CYS 22 -0.604 1.165 0.515 126 H THR 23 H THR 23 1.654 -1.649 -0.635 127 HA THR 23 HA THR 23 2.868 -1.264 1.996 128 HB THR 23 HB THR 23 3.893 -3.620 1.741 129 HG1 THR 23 HG1 THR 23 2.259 -5.039 0.663 130 HG21 THR 23 HG21 THR 23 1.622 -4.656 2.612 131 HG22 THR 23 HG22 THR 23 1.135 -2.962 2.651 132 HG23 THR 23 HG23 THR 23 2.533 -3.499 3.584 133 H ARG 24 H ARG 24 5.011 -0.682 1.849 134 HA ARG 24 HA ARG 24 6.143 -0.580 -0.837 135 HB2 ARG 24 HB3 ARG 24 7.785 0.946 0.078 136 HB3 ARG 24 HB2 ARG 24 6.178 1.498 0.497 137 HG2 ARG 24 HG3 ARG 24 6.512 1.203 2.712 138 HG3 ARG 24 HG2 ARG 24 7.559 -0.200 2.481 139 HD2 ARG 24 HD3 ARG 24 8.309 2.685 2.007 140 HD3 ARG 24 HD2 ARG 24 8.829 1.683 3.363 141 HE ARG 24 HE ARG 24 9.531 0.407 0.943 142 HH11 ARG 24 HH11 ARG 24 10.446 3.203 2.853 143 HH12 ARG 24 HH12 ARG 24 12.079 3.207 2.283 144 HH21 ARG 24 HH22 ARG 24 11.639 0.396 0.194 145 HH22 ARG 24 HH21 ARG 24 12.770 1.594 0.755 146 H ASP 25 H ASP 25 7.652 -1.979 -1.463 147 HA ASP 25 HA ASP 25 9.123 -3.723 -1.443 148 HB2 ASP 25 HB3 ASP 25 9.873 -2.763 1.335 149 HB3 ASP 25 HB2 ASP 25 10.852 -3.754 0.264 150 H GLY 26 H GLY 26 6.402 -3.972 -0.352 151 HA2 GLY 26 HA3 GLY 26 5.149 -5.765 0.395 152 HA3 GLY 26 HA2 GLY 26 6.644 -6.620 0.746 153 H LEU 27 H LEU 27 6.671 -3.545 2.106 154 HA LEU 27 HA LEU 27 5.964 -4.669 4.729 155 HB2 LEU 27 HB3 LEU 27 7.718 -2.304 4.058 156 HB3 LEU 27 HB2 LEU 27 7.379 -2.890 5.675 157 HG LEU 27 HG LEU 27 8.849 -4.440 3.540 158 HD11 LEU 27 HD11 LEU 27 10.738 -3.502 4.229 159 HD12 LEU 27 HD12 LEU 27 10.339 -3.800 5.921 160 HD13 LEU 27 HD13 LEU 27 9.761 -2.337 5.123 161 HD21 LEU 27 HD21 LEU 27 9.457 -5.799 5.662 162 HD22 LEU 27 HD22 LEU 27 7.897 -6.067 4.884 163 HD23 LEU 27 HD23 LEU 27 7.998 -5.072 6.338 164 HA PRO 28 HA PRO 28 2.511 -1.873 4.739 165 HB2 PRO 28 HB2 PRO 28 1.640 -2.401 7.232 166 HB3 PRO 28 HB3 PRO 28 1.457 -3.559 5.910 167 HG2 PRO 28 HG3 PRO 28 3.483 -3.494 8.108 168 HG3 PRO 28 HG2 PRO 28 2.614 -4.881 7.426 169 HD2 PRO 28 HD3 PRO 28 5.187 -4.215 6.761 170 HD3 PRO 28 HD2 PRO 28 4.087 -5.105 5.690 171 H VAL 29 H VAL 29 4.533 -0.281 4.790 172 HA VAL 29 HA VAL 29 4.847 1.028 7.345 173 HB VAL 29 HB VAL 29 5.975 1.807 4.653 174 HG11 VAL 29 HG11 VAL 29 5.783 3.433 6.782 175 HG12 VAL 29 HG12 VAL 29 7.121 3.491 5.634 176 HG13 VAL 29 HG13 VAL 29 7.305 2.625 7.158 177 HG21 VAL 29 HG21 VAL 29 6.963 -0.010 6.809 178 HG22 VAL 29 HG22 VAL 29 8.115 0.891 5.824 179 HG23 VAL 29 HG23 VAL 29 6.986 -0.227 5.058
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